USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 714 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 17 HIS : no HD1:sc= -9.98! C(o=-8.8!,f=-14!) USER MOD Set 1.2: A 30 TYR OH : rot -124:sc= 1.2 USER MOD Single : A 1 LYS N :NH3+ -130:sc= 0.108 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -179:sc= -0.039 (180deg=-0.0401) USER MOD Single : A 6 ASN : amide:sc= -0.0211 X(o=-0.021,f=-0.42) USER MOD Single : A 9 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.174 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.49) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.62 X(o=-2.6,f=-2.2!) USER MOD Single : A 40 CYS SG : rot -78:sc= -5.43! USER MOD Single : A 42 THR OG1 : rot -128:sc= 0.973 USER MOD Single : A 47 TYR OH : rot -78:sc= -6.27! USER MOD Single : A 55 GLN : amide:sc= -1.71 X(o=-1.7,f=-1.4) USER MOD Single : A 58 GLN : amide:sc= -0.36 K(o=-0.36,f=-3!) USER MOD Single : A 59 SER OG : rot -50:sc= -0.202 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -31:sc= -3.23! USER MOD Single : A 65 ASN : amide:sc= -0.3 K(o=-0.3,f=-1.4) USER MOD Single : A 69 SER OG : rot 180:sc= -1.52! USER MOD Single : A 72 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.068) USER MOD Single : A 78 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.311) USER MOD Single : A 82 CYS SG : rot -130:sc= -1.29 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 68:sc= 0.68 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.847 4.160 8.950 1.00 0.00 N ATOM 2 CA LYS A 1 -7.632 3.859 9.758 1.00 0.00 C ATOM 3 C LYS A 1 -6.392 4.376 9.026 1.00 0.00 C ATOM 4 O LYS A 1 -6.438 4.701 7.854 1.00 0.00 O ATOM 5 CB LYS A 1 -7.513 2.347 9.959 1.00 0.00 C ATOM 6 CG LYS A 1 -6.781 2.062 11.272 1.00 0.00 C ATOM 7 CD LYS A 1 -5.751 0.953 11.053 1.00 0.00 C ATOM 8 CE LYS A 1 -4.633 1.082 12.088 1.00 0.00 C ATOM 9 NZ LYS A 1 -4.866 0.112 13.196 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.559 4.620 9.552 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.594 4.795 8.166 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.237 3.275 8.567 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.711 4.348 10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.504 1.893 9.977 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.972 1.900 9.125 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.287 2.966 11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.494 1.764 12.041 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.229 -0.023 11.138 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -5.338 1.019 10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.667 0.891 11.621 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.602 2.098 12.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.106 0.200 13.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.781 0.314 13.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.874 -0.855 12.814 1.00 0.00 H new ATOM 25 N LYS A 2 -5.283 4.464 9.708 1.00 0.00 N ATOM 26 CA LYS A 2 -4.051 4.967 9.048 1.00 0.00 C ATOM 27 C LYS A 2 -3.059 3.817 8.841 1.00 0.00 C ATOM 28 O LYS A 2 -2.940 2.922 9.655 1.00 0.00 O ATOM 29 CB LYS A 2 -3.436 6.088 9.911 1.00 0.00 C ATOM 30 CG LYS A 2 -2.194 5.598 10.668 1.00 0.00 C ATOM 31 CD LYS A 2 -1.471 6.793 11.291 1.00 0.00 C ATOM 32 CE LYS A 2 -0.687 7.534 10.205 1.00 0.00 C ATOM 33 NZ LYS A 2 -1.142 8.952 10.144 1.00 0.00 N ATOM 0 H LYS A 2 -5.179 4.210 10.690 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.295 5.376 8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.167 6.932 9.275 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.178 6.449 10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.484 4.890 11.444 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.526 5.069 9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.191 7.465 11.758 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.795 6.454 12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.381 7.492 10.420 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.837 7.051 9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.622 9.452 9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.161 8.981 9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.962 9.414 11.058 1.00 0.00 H new ATOM 47 N ALA A 3 -2.338 3.856 7.759 1.00 0.00 N ATOM 48 CA ALA A 3 -1.332 2.795 7.477 1.00 0.00 C ATOM 49 C ALA A 3 0.029 3.458 7.270 1.00 0.00 C ATOM 50 O ALA A 3 0.137 4.480 6.625 1.00 0.00 O ATOM 51 CB ALA A 3 -1.731 2.034 6.210 1.00 0.00 C ATOM 0 H ALA A 3 -2.402 4.585 7.049 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.283 2.095 8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.994 1.258 6.005 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.710 1.576 6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.774 2.725 5.369 1.00 0.00 H new ATOM 57 N VAL A 4 1.068 2.900 7.823 1.00 0.00 N ATOM 58 CA VAL A 4 2.413 3.522 7.663 1.00 0.00 C ATOM 59 C VAL A 4 3.332 2.589 6.876 1.00 0.00 C ATOM 60 O VAL A 4 3.579 1.468 7.274 1.00 0.00 O ATOM 61 CB VAL A 4 3.012 3.771 9.047 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.351 4.498 8.905 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.044 4.626 9.869 1.00 0.00 C ATOM 0 H VAL A 4 1.046 2.044 8.377 1.00 0.00 H new ATOM 0 HA VAL A 4 2.314 4.463 7.122 1.00 0.00 H new ATOM 0 HB VAL A 4 3.175 2.819 9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.776 4.674 9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.037 3.886 8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.195 5.452 8.402 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.467 4.806 10.857 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.882 5.578 9.365 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.093 4.103 9.971 1.00 0.00 H new ATOM 73 N ILE A 5 3.854 3.041 5.766 1.00 0.00 N ATOM 74 CA ILE A 5 4.766 2.165 4.979 1.00 0.00 C ATOM 75 C ILE A 5 6.211 2.471 5.362 1.00 0.00 C ATOM 76 O ILE A 5 6.825 3.382 4.842 1.00 0.00 O ATOM 77 CB ILE A 5 4.579 2.407 3.483 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.072 2.345 3.153 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.369 1.343 2.708 1.00 0.00 C ATOM 80 CD1 ILE A 5 2.794 1.398 1.975 1.00 0.00 C ATOM 0 H ILE A 5 3.690 3.969 5.375 1.00 0.00 H new ATOM 0 HA ILE A 5 4.533 1.123 5.199 1.00 0.00 H new ATOM 0 HB ILE A 5 4.953 3.390 3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.520 2.009 4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.709 3.344 2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.244 1.505 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.426 1.416 2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.999 0.352 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.724 1.378 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.327 1.750 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.134 0.394 2.228 1.00 0.00 H new ATOM 92 N ASN A 6 6.758 1.715 6.270 1.00 0.00 N ATOM 93 CA ASN A 6 8.159 1.952 6.694 1.00 0.00 C ATOM 94 C ASN A 6 9.103 1.218 5.739 1.00 0.00 C ATOM 95 O ASN A 6 9.424 0.063 5.935 1.00 0.00 O ATOM 96 CB ASN A 6 8.342 1.419 8.114 1.00 0.00 C ATOM 97 CG ASN A 6 7.628 2.343 9.102 1.00 0.00 C ATOM 98 OD1 ASN A 6 7.780 3.547 9.044 1.00 0.00 O ATOM 99 ND2 ASN A 6 6.849 1.827 10.013 1.00 0.00 N ATOM 0 H ASN A 6 6.290 0.939 6.738 1.00 0.00 H new ATOM 0 HA ASN A 6 8.384 3.018 6.673 1.00 0.00 H new ATOM 0 HB2 ASN A 6 7.940 0.409 8.189 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.403 1.359 8.357 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.368 2.434 10.676 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.721 0.816 10.062 1.00 0.00 H new ATOM 106 N GLY A 7 9.544 1.878 4.703 1.00 0.00 N ATOM 107 CA GLY A 7 10.461 1.217 3.732 1.00 0.00 C ATOM 108 C GLY A 7 11.743 0.785 4.446 1.00 0.00 C ATOM 109 O GLY A 7 12.293 -0.263 4.173 1.00 0.00 O ATOM 0 H GLY A 7 9.309 2.847 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.972 0.351 3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.700 1.902 2.918 1.00 0.00 H new ATOM 113 N GLU A 8 12.223 1.583 5.360 1.00 0.00 N ATOM 114 CA GLU A 8 13.468 1.213 6.089 1.00 0.00 C ATOM 115 C GLU A 8 13.395 -0.258 6.497 1.00 0.00 C ATOM 116 O GLU A 8 14.401 -0.918 6.664 1.00 0.00 O ATOM 117 CB GLU A 8 13.604 2.083 7.340 1.00 0.00 C ATOM 118 CG GLU A 8 14.595 3.217 7.069 1.00 0.00 C ATOM 119 CD GLU A 8 16.021 2.664 7.080 1.00 0.00 C ATOM 120 OE1 GLU A 8 16.170 1.470 7.285 1.00 0.00 O ATOM 121 OE2 GLU A 8 16.939 3.442 6.885 1.00 0.00 O ATOM 0 H GLU A 8 11.807 2.474 5.633 1.00 0.00 H new ATOM 0 HA GLU A 8 14.331 1.371 5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.633 2.493 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.947 1.479 8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.380 3.679 6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.490 3.995 7.826 1.00 0.00 H new ATOM 128 N GLN A 9 12.209 -0.775 6.665 1.00 0.00 N ATOM 129 CA GLN A 9 12.066 -2.199 7.068 1.00 0.00 C ATOM 130 C GLN A 9 11.857 -3.074 5.831 1.00 0.00 C ATOM 131 O GLN A 9 12.420 -4.145 5.716 1.00 0.00 O ATOM 132 CB GLN A 9 10.859 -2.335 7.996 1.00 0.00 C ATOM 133 CG GLN A 9 11.071 -1.467 9.237 1.00 0.00 C ATOM 134 CD GLN A 9 11.853 -2.259 10.287 1.00 0.00 C ATOM 135 OE1 GLN A 9 12.938 -1.871 10.673 1.00 0.00 O ATOM 136 NE2 GLN A 9 11.345 -3.360 10.769 1.00 0.00 N ATOM 0 H GLN A 9 11.332 -0.270 6.540 1.00 0.00 H new ATOM 0 HA GLN A 9 12.971 -2.522 7.583 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.951 -2.030 7.476 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.725 -3.377 8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.614 -0.560 8.971 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.109 -1.154 9.644 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.434 -3.686 10.445 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.859 -3.895 11.470 1.00 0.00 H new ATOM 145 N ILE A 10 11.044 -2.638 4.909 1.00 0.00 N ATOM 146 CA ILE A 10 10.791 -3.450 3.695 1.00 0.00 C ATOM 147 C ILE A 10 12.100 -3.908 3.063 1.00 0.00 C ATOM 148 O ILE A 10 13.086 -3.197 3.035 1.00 0.00 O ATOM 149 CB ILE A 10 10.014 -2.612 2.690 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.568 -2.511 3.144 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.059 -3.263 1.303 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.842 -1.579 2.196 1.00 0.00 C ATOM 0 H ILE A 10 10.544 -1.750 4.948 1.00 0.00 H new ATOM 0 HA ILE A 10 10.217 -4.332 3.978 1.00 0.00 H new ATOM 0 HB ILE A 10 10.463 -1.621 2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.099 -3.495 3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.515 -2.133 4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.499 -2.652 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.094 -3.344 0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.616 -4.258 1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.799 -1.490 2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.313 -0.596 2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.891 -1.980 1.183 1.00 0.00 H new ATOM 164 N ARG A 11 12.093 -5.095 2.538 1.00 0.00 N ATOM 165 CA ARG A 11 13.292 -5.643 1.875 1.00 0.00 C ATOM 166 C ARG A 11 12.894 -6.139 0.482 1.00 0.00 C ATOM 167 O ARG A 11 13.710 -6.634 -0.270 1.00 0.00 O ATOM 168 CB ARG A 11 13.816 -6.806 2.707 1.00 0.00 C ATOM 169 CG ARG A 11 14.579 -6.258 3.911 1.00 0.00 C ATOM 170 CD ARG A 11 14.891 -7.395 4.886 1.00 0.00 C ATOM 171 NE ARG A 11 15.651 -6.860 6.053 1.00 0.00 N ATOM 172 CZ ARG A 11 16.537 -5.916 5.882 1.00 0.00 C ATOM 173 NH1 ARG A 11 17.706 -6.201 5.379 1.00 0.00 N ATOM 174 NH2 ARG A 11 16.252 -4.686 6.216 1.00 0.00 N ATOM 0 H ARG A 11 11.287 -5.719 2.543 1.00 0.00 H new ATOM 0 HA ARG A 11 14.066 -4.881 1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.989 -7.432 3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.469 -7.436 2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.504 -5.784 3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.987 -5.490 4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.966 -7.861 5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.473 -8.168 4.384 1.00 0.00 H new ATOM 0 HE ARG A 11 15.478 -7.232 6.987 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.929 -7.162 5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.397 -5.463 5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.338 -4.463 6.610 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.943 -3.948 6.083 1.00 0.00 H new ATOM 188 N SER A 12 11.637 -6.007 0.133 1.00 0.00 N ATOM 189 CA SER A 12 11.177 -6.467 -1.206 1.00 0.00 C ATOM 190 C SER A 12 9.673 -6.206 -1.352 1.00 0.00 C ATOM 191 O SER A 12 8.988 -5.856 -0.402 1.00 0.00 O ATOM 192 CB SER A 12 11.451 -7.964 -1.351 1.00 0.00 C ATOM 193 OG SER A 12 11.392 -8.578 -0.070 1.00 0.00 O ATOM 0 H SER A 12 10.911 -5.599 0.722 1.00 0.00 H new ATOM 0 HA SER A 12 11.715 -5.921 -1.981 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.718 -8.417 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.432 -8.124 -1.799 1.00 0.00 H new ATOM 0 HG SER A 12 11.566 -9.538 -0.159 1.00 0.00 H new ATOM 199 N ILE A 13 9.149 -6.374 -2.535 1.00 0.00 N ATOM 200 CA ILE A 13 7.696 -6.137 -2.738 1.00 0.00 C ATOM 201 C ILE A 13 6.912 -6.953 -1.712 1.00 0.00 C ATOM 202 O ILE A 13 6.023 -6.450 -1.061 1.00 0.00 O ATOM 203 CB ILE A 13 7.293 -6.559 -4.152 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.869 -6.078 -4.446 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.345 -8.083 -4.262 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.714 -4.615 -4.018 1.00 0.00 C ATOM 0 H ILE A 13 9.664 -6.664 -3.366 1.00 0.00 H new ATOM 0 HA ILE A 13 7.476 -5.077 -2.611 1.00 0.00 H new ATOM 0 HB ILE A 13 7.982 -6.116 -4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.654 -6.180 -5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.149 -6.700 -3.914 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.058 -8.385 -5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.358 -8.428 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.656 -8.524 -3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.699 -4.279 -4.230 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.910 -4.526 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.423 -3.997 -4.570 1.00 0.00 H new ATOM 218 N SER A 14 7.243 -8.206 -1.550 1.00 0.00 N ATOM 219 CA SER A 14 6.517 -9.034 -0.549 1.00 0.00 C ATOM 220 C SER A 14 6.409 -8.235 0.747 1.00 0.00 C ATOM 221 O SER A 14 5.348 -8.099 1.324 1.00 0.00 O ATOM 222 CB SER A 14 7.292 -10.327 -0.293 1.00 0.00 C ATOM 223 OG SER A 14 6.759 -10.975 0.855 1.00 0.00 O ATOM 0 H SER A 14 7.980 -8.688 -2.065 1.00 0.00 H new ATOM 0 HA SER A 14 5.523 -9.286 -0.919 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.223 -10.984 -1.160 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.349 -10.107 -0.143 1.00 0.00 H new ATOM 0 HG SER A 14 7.253 -11.805 1.021 1.00 0.00 H new ATOM 229 N ASP A 15 7.506 -7.692 1.198 1.00 0.00 N ATOM 230 CA ASP A 15 7.485 -6.885 2.441 1.00 0.00 C ATOM 231 C ASP A 15 6.480 -5.751 2.284 1.00 0.00 C ATOM 232 O ASP A 15 5.724 -5.446 3.182 1.00 0.00 O ATOM 233 CB ASP A 15 8.869 -6.285 2.678 1.00 0.00 C ATOM 234 CG ASP A 15 9.411 -6.749 4.034 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.720 -7.499 4.703 1.00 0.00 O ATOM 236 OD2 ASP A 15 10.510 -6.347 4.379 1.00 0.00 O ATOM 0 H ASP A 15 8.420 -7.776 0.753 1.00 0.00 H new ATOM 0 HA ASP A 15 7.206 -7.519 3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.548 -6.589 1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.813 -5.197 2.652 1.00 0.00 H new ATOM 241 N LEU A 16 6.470 -5.126 1.142 1.00 0.00 N ATOM 242 CA LEU A 16 5.514 -4.008 0.916 1.00 0.00 C ATOM 243 C LEU A 16 4.101 -4.499 1.218 1.00 0.00 C ATOM 244 O LEU A 16 3.381 -3.929 2.015 1.00 0.00 O ATOM 245 CB LEU A 16 5.596 -3.571 -0.545 1.00 0.00 C ATOM 246 CG LEU A 16 4.847 -2.252 -0.738 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.282 -1.253 0.334 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.172 -1.685 -2.121 1.00 0.00 C ATOM 0 H LEU A 16 7.082 -5.341 0.355 1.00 0.00 H new ATOM 0 HA LEU A 16 5.760 -3.167 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.639 -3.453 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.167 -4.340 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 16 3.774 -2.428 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.747 -0.314 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.055 -1.657 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.354 -1.075 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.640 -0.744 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.245 -1.510 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.863 -2.396 -2.887 1.00 0.00 H new ATOM 260 N HIS A 17 3.711 -5.564 0.584 1.00 0.00 N ATOM 261 CA HIS A 17 2.360 -6.127 0.811 1.00 0.00 C ATOM 262 C HIS A 17 2.260 -6.615 2.258 1.00 0.00 C ATOM 263 O HIS A 17 1.188 -6.746 2.810 1.00 0.00 O ATOM 264 CB HIS A 17 2.156 -7.292 -0.157 1.00 0.00 C ATOM 265 CG HIS A 17 2.356 -6.801 -1.566 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.595 -5.775 -2.105 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.224 -7.184 -2.559 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.015 -5.578 -3.367 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.006 -6.410 -3.695 1.00 0.00 N ATOM 0 H HIS A 17 4.280 -6.074 -0.091 1.00 0.00 H new ATOM 0 HA HIS A 17 1.592 -5.372 0.640 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.860 -8.094 0.066 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.154 -7.706 -0.041 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.963 -7.967 -2.472 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.601 -4.837 -4.034 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.498 -6.466 -4.587 1.00 0.00 H new ATOM 277 N GLN A 18 3.373 -6.877 2.882 1.00 0.00 N ATOM 278 CA GLN A 18 3.338 -7.342 4.287 1.00 0.00 C ATOM 279 C GLN A 18 2.832 -6.205 5.174 1.00 0.00 C ATOM 280 O GLN A 18 1.873 -6.349 5.910 1.00 0.00 O ATOM 281 CB GLN A 18 4.747 -7.742 4.726 1.00 0.00 C ATOM 282 CG GLN A 18 4.685 -9.048 5.520 1.00 0.00 C ATOM 283 CD GLN A 18 4.226 -10.183 4.602 1.00 0.00 C ATOM 284 OE1 GLN A 18 3.100 -10.632 4.689 1.00 0.00 O ATOM 285 NE2 GLN A 18 5.055 -10.668 3.719 1.00 0.00 N ATOM 0 H GLN A 18 4.304 -6.788 2.476 1.00 0.00 H new ATOM 0 HA GLN A 18 2.675 -8.202 4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.389 -7.865 3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.186 -6.953 5.337 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.665 -9.278 5.938 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.997 -8.944 6.359 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.000 -10.291 3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.758 -11.424 3.102 1.00 0.00 H new ATOM 294 N THR A 19 3.475 -5.072 5.109 1.00 0.00 N ATOM 295 CA THR A 19 3.045 -3.927 5.944 1.00 0.00 C ATOM 296 C THR A 19 1.643 -3.489 5.506 1.00 0.00 C ATOM 297 O THR A 19 0.812 -3.157 6.317 1.00 0.00 O ATOM 298 CB THR A 19 4.066 -2.775 5.805 1.00 0.00 C ATOM 299 OG1 THR A 19 4.640 -2.511 7.077 1.00 0.00 O ATOM 300 CG2 THR A 19 3.393 -1.493 5.297 1.00 0.00 C ATOM 0 H THR A 19 4.281 -4.894 4.510 1.00 0.00 H new ATOM 0 HA THR A 19 3.004 -4.215 6.994 1.00 0.00 H new ATOM 0 HB THR A 19 4.828 -3.078 5.087 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.290 -1.782 6.997 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.137 -0.701 5.210 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.945 -1.679 4.321 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.618 -1.186 5.999 1.00 0.00 H new ATOM 308 N LEU A 20 1.375 -3.487 4.230 1.00 0.00 N ATOM 309 CA LEU A 20 0.035 -3.077 3.760 1.00 0.00 C ATOM 310 C LEU A 20 -1.005 -4.026 4.352 1.00 0.00 C ATOM 311 O LEU A 20 -2.087 -3.641 4.719 1.00 0.00 O ATOM 312 CB LEU A 20 0.002 -3.167 2.238 1.00 0.00 C ATOM 313 CG LEU A 20 0.936 -2.112 1.642 1.00 0.00 C ATOM 314 CD1 LEU A 20 1.037 -2.321 0.133 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.382 -0.713 1.932 1.00 0.00 C ATOM 0 H LEU A 20 2.031 -3.753 3.496 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.183 -2.055 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.308 -4.162 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.015 -3.013 1.876 1.00 0.00 H new ATOM 0 HG LEU A 20 1.925 -2.206 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.702 -1.571 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.434 -3.316 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.048 -2.226 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.048 0.038 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.608 -0.614 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.311 -0.566 3.010 1.00 0.00 H new ATOM 327 N LYS A 21 -0.661 -5.268 4.440 1.00 0.00 N ATOM 328 CA LYS A 21 -1.587 -6.290 5.001 1.00 0.00 C ATOM 329 C LYS A 21 -1.803 -6.025 6.490 1.00 0.00 C ATOM 330 O LYS A 21 -2.904 -6.112 6.991 1.00 0.00 O ATOM 331 CB LYS A 21 -0.965 -7.674 4.820 1.00 0.00 C ATOM 332 CG LYS A 21 -2.037 -8.751 4.993 1.00 0.00 C ATOM 333 CD LYS A 21 -1.406 -10.004 5.604 1.00 0.00 C ATOM 334 CE LYS A 21 -2.261 -10.489 6.776 1.00 0.00 C ATOM 335 NZ LYS A 21 -1.856 -9.769 8.016 1.00 0.00 N ATOM 0 H LYS A 21 0.243 -5.634 4.141 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.545 -6.241 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.513 -7.753 3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.167 -7.822 5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.837 -8.383 5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.487 -8.990 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.326 -10.787 4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.394 -9.785 5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.316 -10.312 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.138 -11.564 6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.437 -10.098 8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.853 -9.959 8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.995 -8.747 7.885 1.00 0.00 H new ATOM 349 N LYS A 22 -0.762 -5.702 7.202 1.00 0.00 N ATOM 350 CA LYS A 22 -0.909 -5.432 8.651 1.00 0.00 C ATOM 351 C LYS A 22 -1.789 -4.202 8.832 1.00 0.00 C ATOM 352 O LYS A 22 -2.847 -4.248 9.428 1.00 0.00 O ATOM 353 CB LYS A 22 0.467 -5.146 9.244 1.00 0.00 C ATOM 354 CG LYS A 22 0.455 -5.452 10.743 1.00 0.00 C ATOM 355 CD LYS A 22 0.114 -4.179 11.520 1.00 0.00 C ATOM 356 CE LYS A 22 0.109 -4.483 13.019 1.00 0.00 C ATOM 357 NZ LYS A 22 -1.243 -4.960 13.425 1.00 0.00 N ATOM 0 H LYS A 22 0.187 -5.614 6.838 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.357 -6.292 9.149 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.222 -5.753 8.745 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.736 -4.103 9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.276 -6.231 10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.428 -5.832 11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.842 -3.399 11.299 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.861 -3.802 11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.858 -5.241 13.250 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.375 -3.589 13.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.247 -5.167 14.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.947 -4.223 13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.480 -5.823 12.896 1.00 0.00 H new ATOM 371 N GLU A 23 -1.343 -3.105 8.304 1.00 0.00 N ATOM 372 CA GLU A 23 -2.103 -1.842 8.398 1.00 0.00 C ATOM 373 C GLU A 23 -3.516 -2.068 7.875 1.00 0.00 C ATOM 374 O GLU A 23 -4.486 -2.030 8.605 1.00 0.00 O ATOM 375 CB GLU A 23 -1.400 -0.806 7.525 1.00 0.00 C ATOM 376 CG GLU A 23 -0.058 -0.429 8.156 1.00 0.00 C ATOM 377 CD GLU A 23 -0.255 -0.128 9.643 1.00 0.00 C ATOM 378 OE1 GLU A 23 -1.216 0.548 9.968 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.559 -0.580 10.432 1.00 0.00 O ATOM 0 H GLU A 23 -0.460 -3.032 7.798 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.153 -1.499 9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.243 -1.206 6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.026 0.080 7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.655 -1.244 8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.361 0.442 7.651 1.00 0.00 H new ATOM 386 N LEU A 24 -3.622 -2.310 6.604 1.00 0.00 N ATOM 387 CA LEU A 24 -4.941 -2.552 5.980 1.00 0.00 C ATOM 388 C LEU A 24 -5.601 -3.771 6.627 1.00 0.00 C ATOM 389 O LEU A 24 -6.775 -4.024 6.436 1.00 0.00 O ATOM 390 CB LEU A 24 -4.718 -2.825 4.494 1.00 0.00 C ATOM 391 CG LEU A 24 -4.003 -1.634 3.856 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.969 -2.145 2.850 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.022 -0.748 3.135 1.00 0.00 C ATOM 0 H LEU A 24 -2.832 -2.351 5.960 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.588 -1.686 6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.124 -3.730 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.673 -2.997 3.998 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.504 -1.052 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.457 -1.298 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.242 -2.775 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.470 -2.727 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.510 0.100 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.523 -1.327 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.760 -0.386 3.851 1.00 0.00 H new ATOM 405 N ALA A 25 -4.860 -4.539 7.381 1.00 0.00 N ATOM 406 CA ALA A 25 -5.455 -5.740 8.018 1.00 0.00 C ATOM 407 C ALA A 25 -6.140 -6.580 6.942 1.00 0.00 C ATOM 408 O ALA A 25 -7.273 -6.997 7.083 1.00 0.00 O ATOM 409 CB ALA A 25 -6.467 -5.291 9.063 1.00 0.00 C ATOM 0 H ALA A 25 -3.872 -4.384 7.580 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.684 -6.340 8.502 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.911 -6.165 9.538 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.966 -4.683 9.817 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.249 -4.702 8.583 1.00 0.00 H new ATOM 415 N LEU A 26 -5.451 -6.823 5.862 1.00 0.00 N ATOM 416 CA LEU A 26 -6.034 -7.628 4.754 1.00 0.00 C ATOM 417 C LEU A 26 -6.324 -9.048 5.251 1.00 0.00 C ATOM 418 O LEU A 26 -5.798 -9.464 6.264 1.00 0.00 O ATOM 419 CB LEU A 26 -5.027 -7.663 3.603 1.00 0.00 C ATOM 420 CG LEU A 26 -4.661 -6.228 3.224 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.544 -6.235 2.185 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.892 -5.527 2.647 1.00 0.00 C ATOM 0 H LEU A 26 -4.499 -6.495 5.699 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.968 -7.184 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.135 -8.214 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.453 -8.183 2.745 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.319 -5.696 4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.288 -5.209 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.666 -6.733 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.878 -6.768 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.634 -4.503 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.233 -6.062 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.687 -5.515 3.393 1.00 0.00 H new ATOM 434 N PRO A 27 -7.161 -9.748 4.526 1.00 0.00 N ATOM 435 CA PRO A 27 -7.544 -11.125 4.884 1.00 0.00 C ATOM 436 C PRO A 27 -6.307 -12.005 5.055 1.00 0.00 C ATOM 437 O PRO A 27 -5.185 -11.543 4.984 1.00 0.00 O ATOM 438 CB PRO A 27 -8.386 -11.615 3.703 1.00 0.00 C ATOM 439 CG PRO A 27 -8.632 -10.405 2.767 1.00 0.00 C ATOM 440 CD PRO A 27 -7.790 -9.233 3.294 1.00 0.00 C ATOM 0 HA PRO A 27 -8.088 -11.165 5.828 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.869 -12.413 3.169 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.333 -12.027 4.053 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.350 -10.649 1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.689 -10.141 2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.040 -8.925 2.565 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.410 -8.361 3.501 1.00 0.00 H new ATOM 448 N GLU A 28 -6.507 -13.275 5.275 1.00 0.00 N ATOM 449 CA GLU A 28 -5.353 -14.194 5.446 1.00 0.00 C ATOM 450 C GLU A 28 -4.794 -14.549 4.070 1.00 0.00 C ATOM 451 O GLU A 28 -3.640 -14.902 3.927 1.00 0.00 O ATOM 452 CB GLU A 28 -5.825 -15.468 6.142 1.00 0.00 C ATOM 453 CG GLU A 28 -6.414 -15.117 7.509 1.00 0.00 C ATOM 454 CD GLU A 28 -5.416 -15.488 8.607 1.00 0.00 C ATOM 455 OE1 GLU A 28 -4.749 -16.499 8.457 1.00 0.00 O ATOM 456 OE2 GLU A 28 -5.336 -14.756 9.580 1.00 0.00 O ATOM 0 H GLU A 28 -7.425 -13.715 5.344 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.581 -13.713 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.573 -15.972 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.991 -16.160 6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.642 -14.052 7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.352 -15.651 7.660 1.00 0.00 H new ATOM 463 N TYR A 29 -5.606 -14.452 3.054 1.00 0.00 N ATOM 464 CA TYR A 29 -5.122 -14.776 1.685 1.00 0.00 C ATOM 465 C TYR A 29 -4.834 -13.477 0.936 1.00 0.00 C ATOM 466 O TYR A 29 -4.882 -13.428 -0.277 1.00 0.00 O ATOM 467 CB TYR A 29 -6.183 -15.583 0.927 1.00 0.00 C ATOM 468 CG TYR A 29 -7.568 -15.176 1.375 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.967 -13.836 1.294 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.454 -16.141 1.868 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.253 -13.463 1.706 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.739 -15.767 2.281 1.00 0.00 C ATOM 473 CZ TYR A 29 -10.139 -14.428 2.199 1.00 0.00 C ATOM 474 OH TYR A 29 -11.406 -14.060 2.604 1.00 0.00 O ATOM 0 H TYR A 29 -6.582 -14.163 3.113 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.212 -15.372 1.756 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.077 -15.419 -0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.034 -16.648 1.103 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.284 -13.091 0.914 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.147 -17.174 1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.561 -12.430 1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.421 -16.512 2.663 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.892 -14.851 2.918 1.00 0.00 H new ATOM 484 N TYR A 30 -4.537 -12.422 1.653 1.00 0.00 N ATOM 485 CA TYR A 30 -4.244 -11.119 0.983 1.00 0.00 C ATOM 486 C TYR A 30 -3.401 -11.368 -0.268 1.00 0.00 C ATOM 487 O TYR A 30 -2.300 -11.877 -0.199 1.00 0.00 O ATOM 488 CB TYR A 30 -3.470 -10.193 1.939 1.00 0.00 C ATOM 489 CG TYR A 30 -2.802 -9.074 1.152 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.387 -8.606 -0.032 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.593 -8.515 1.601 1.00 0.00 C ATOM 492 CE1 TYR A 30 -2.771 -7.585 -0.765 1.00 0.00 C ATOM 493 CE2 TYR A 30 -0.976 -7.487 0.863 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.568 -7.027 -0.318 1.00 0.00 C ATOM 495 OH TYR A 30 -0.966 -6.021 -1.044 1.00 0.00 O ATOM 0 H TYR A 30 -4.485 -12.407 2.672 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.185 -10.643 0.707 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.149 -9.772 2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.719 -10.765 2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.315 -9.034 -0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.137 -8.874 2.512 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.225 -7.227 -1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.048 -7.055 1.208 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.048 -6.283 -1.267 1.00 0.00 H new ATOM 505 N GLY A 31 -3.903 -10.992 -1.409 1.00 0.00 N ATOM 506 CA GLY A 31 -3.121 -11.184 -2.657 1.00 0.00 C ATOM 507 C GLY A 31 -2.113 -10.042 -2.775 1.00 0.00 C ATOM 508 O GLY A 31 -2.475 -8.897 -2.952 1.00 0.00 O ATOM 0 H GLY A 31 -4.819 -10.561 -1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.606 -12.144 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.784 -11.195 -3.522 1.00 0.00 H new ATOM 512 N GLU A 32 -0.848 -10.344 -2.670 1.00 0.00 N ATOM 513 CA GLU A 32 0.189 -9.271 -2.764 1.00 0.00 C ATOM 514 C GLU A 32 0.152 -8.607 -4.147 1.00 0.00 C ATOM 515 O GLU A 32 0.855 -7.649 -4.399 1.00 0.00 O ATOM 516 CB GLU A 32 1.585 -9.866 -2.524 1.00 0.00 C ATOM 517 CG GLU A 32 1.645 -11.310 -3.032 1.00 0.00 C ATOM 518 CD GLU A 32 0.961 -11.409 -4.397 1.00 0.00 C ATOM 519 OE1 GLU A 32 1.338 -10.659 -5.282 1.00 0.00 O ATOM 520 OE2 GLU A 32 0.071 -12.232 -4.533 1.00 0.00 O ATOM 0 H GLU A 32 -0.485 -11.286 -2.523 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.024 -8.521 -2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.337 -9.263 -3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.821 -9.838 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.683 -11.634 -3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.156 -11.976 -2.321 1.00 0.00 H new ATOM 527 N ASN A 33 -0.657 -9.100 -5.046 1.00 0.00 N ATOM 528 CA ASN A 33 -0.723 -8.478 -6.404 1.00 0.00 C ATOM 529 C ASN A 33 -1.607 -7.233 -6.355 1.00 0.00 C ATOM 530 O ASN A 33 -2.460 -7.100 -5.506 1.00 0.00 O ATOM 531 CB ASN A 33 -1.302 -9.466 -7.429 1.00 0.00 C ATOM 532 CG ASN A 33 -2.181 -10.511 -6.736 1.00 0.00 C ATOM 533 OD1 ASN A 33 -1.684 -11.486 -6.209 1.00 0.00 O ATOM 534 ND2 ASN A 33 -3.476 -10.349 -6.716 1.00 0.00 N ATOM 0 H ASN A 33 -1.272 -9.901 -4.902 1.00 0.00 H new ATOM 0 HA ASN A 33 0.288 -8.207 -6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.888 -8.925 -8.172 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.491 -9.962 -7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.069 -11.041 -6.258 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.894 -9.531 -7.158 1.00 0.00 H new ATOM 541 N LEU A 34 -1.409 -6.323 -7.267 1.00 0.00 N ATOM 542 CA LEU A 34 -2.237 -5.083 -7.285 1.00 0.00 C ATOM 543 C LEU A 34 -3.710 -5.457 -7.367 1.00 0.00 C ATOM 544 O LEU A 34 -4.557 -4.843 -6.769 1.00 0.00 O ATOM 545 CB LEU A 34 -1.879 -4.266 -8.518 1.00 0.00 C ATOM 546 CG LEU A 34 -0.477 -3.683 -8.359 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.122 -2.861 -9.599 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.441 -2.783 -7.125 1.00 0.00 C ATOM 0 H LEU A 34 -0.707 -6.384 -8.004 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.048 -4.508 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.924 -4.894 -9.408 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.603 -3.464 -8.658 1.00 0.00 H new ATOM 0 HG LEU A 34 0.243 -4.493 -8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.879 -2.445 -9.485 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.151 -3.501 -10.481 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.841 -2.050 -9.716 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.559 -2.365 -7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.161 -1.973 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.695 -3.368 -6.241 1.00 0.00 H new ATOM 560 N ASP A 35 -4.009 -6.455 -8.123 1.00 0.00 N ATOM 561 CA ASP A 35 -5.417 -6.898 -8.278 1.00 0.00 C ATOM 562 C ASP A 35 -6.017 -7.210 -6.909 1.00 0.00 C ATOM 563 O ASP A 35 -7.179 -6.958 -6.650 1.00 0.00 O ATOM 564 CB ASP A 35 -5.421 -8.175 -9.100 1.00 0.00 C ATOM 565 CG ASP A 35 -5.047 -7.860 -10.549 1.00 0.00 C ATOM 566 OD1 ASP A 35 -5.599 -6.917 -11.092 1.00 0.00 O ATOM 567 OD2 ASP A 35 -4.214 -8.567 -11.092 1.00 0.00 O ATOM 0 H ASP A 35 -3.329 -6.999 -8.654 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.999 -6.113 -8.761 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.714 -8.891 -8.680 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.406 -8.640 -9.062 1.00 0.00 H new ATOM 572 N ALA A 36 -5.231 -7.770 -6.037 1.00 0.00 N ATOM 573 CA ALA A 36 -5.751 -8.125 -4.685 1.00 0.00 C ATOM 574 C ALA A 36 -5.772 -6.885 -3.814 1.00 0.00 C ATOM 575 O ALA A 36 -6.792 -6.497 -3.288 1.00 0.00 O ATOM 576 CB ALA A 36 -4.844 -9.166 -4.039 1.00 0.00 C ATOM 0 H ALA A 36 -4.250 -7.999 -6.199 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.758 -8.529 -4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.229 -9.421 -3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.817 -10.061 -4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.837 -8.761 -3.942 1.00 0.00 H new ATOM 582 N LEU A 37 -4.646 -6.260 -3.671 1.00 0.00 N ATOM 583 CA LEU A 37 -4.572 -5.026 -2.847 1.00 0.00 C ATOM 584 C LEU A 37 -5.774 -4.154 -3.196 1.00 0.00 C ATOM 585 O LEU A 37 -6.549 -3.738 -2.351 1.00 0.00 O ATOM 586 CB LEU A 37 -3.284 -4.284 -3.199 1.00 0.00 C ATOM 587 CG LEU A 37 -3.385 -2.834 -2.725 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.443 -2.798 -1.197 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.164 -2.050 -3.210 1.00 0.00 C ATOM 0 H LEU A 37 -3.764 -6.551 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.578 -5.264 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.430 -4.773 -2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.116 -4.315 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.290 -2.382 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.515 -1.764 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.315 -3.353 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.540 -3.251 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.237 -1.016 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.258 -2.501 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.126 -2.073 -4.299 1.00 0.00 H new ATOM 601 N TRP A 38 -5.925 -3.888 -4.453 1.00 0.00 N ATOM 602 CA TRP A 38 -7.054 -3.069 -4.915 1.00 0.00 C ATOM 603 C TRP A 38 -8.339 -3.735 -4.488 1.00 0.00 C ATOM 604 O TRP A 38 -9.161 -3.159 -3.812 1.00 0.00 O ATOM 605 CB TRP A 38 -7.049 -2.993 -6.436 1.00 0.00 C ATOM 606 CG TRP A 38 -8.194 -2.148 -6.850 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.450 -2.588 -7.018 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.214 -0.729 -7.111 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.253 -1.520 -7.385 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.527 -0.347 -7.455 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.222 0.248 -7.086 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.839 0.977 -7.763 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.519 1.571 -7.385 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.829 1.945 -7.725 1.00 0.00 C ATOM 0 H TRP A 38 -5.299 -4.212 -5.191 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.970 -2.068 -4.492 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.111 -2.568 -6.794 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.133 -3.990 -6.869 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.781 -3.608 -6.888 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.252 -1.591 -7.579 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.209 -0.027 -6.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.849 1.252 -8.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.738 2.316 -7.356 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.056 2.975 -7.956 1.00 0.00 H new ATOM 625 N ASP A 39 -8.508 -4.958 -4.882 1.00 0.00 N ATOM 626 CA ASP A 39 -9.738 -5.692 -4.505 1.00 0.00 C ATOM 627 C ASP A 39 -10.030 -5.423 -3.031 1.00 0.00 C ATOM 628 O ASP A 39 -11.159 -5.480 -2.586 1.00 0.00 O ATOM 629 CB ASP A 39 -9.529 -7.189 -4.723 1.00 0.00 C ATOM 630 CG ASP A 39 -10.094 -7.592 -6.086 1.00 0.00 C ATOM 631 OD1 ASP A 39 -10.686 -6.745 -6.734 1.00 0.00 O ATOM 632 OD2 ASP A 39 -9.925 -8.741 -6.458 1.00 0.00 O ATOM 0 H ASP A 39 -7.845 -5.484 -5.451 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.575 -5.359 -5.118 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.467 -7.429 -4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.022 -7.754 -3.932 1.00 0.00 H new ATOM 637 N CYS A 40 -9.010 -5.122 -2.273 1.00 0.00 N ATOM 638 CA CYS A 40 -9.216 -4.839 -0.829 1.00 0.00 C ATOM 639 C CYS A 40 -9.697 -3.395 -0.641 1.00 0.00 C ATOM 640 O CYS A 40 -10.664 -3.149 0.048 1.00 0.00 O ATOM 641 CB CYS A 40 -7.905 -5.049 -0.069 1.00 0.00 C ATOM 642 SG CYS A 40 -7.885 -6.712 0.646 1.00 0.00 S ATOM 0 H CYS A 40 -8.044 -5.061 -2.594 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.972 -5.520 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.057 -4.920 -0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.804 -4.302 0.718 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.619 -6.732 1.719 1.00 0.00 H new ATOM 648 N LEU A 41 -9.034 -2.431 -1.233 1.00 0.00 N ATOM 649 CA LEU A 41 -9.471 -1.026 -1.053 1.00 0.00 C ATOM 650 C LEU A 41 -10.912 -0.850 -1.540 1.00 0.00 C ATOM 651 O LEU A 41 -11.735 -0.252 -0.876 1.00 0.00 O ATOM 652 CB LEU A 41 -8.556 -0.108 -1.860 1.00 0.00 C ATOM 653 CG LEU A 41 -7.089 -0.463 -1.605 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.210 0.479 -2.414 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.763 -0.310 -0.118 1.00 0.00 C ATOM 0 H LEU A 41 -8.216 -2.562 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.420 -0.773 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.781 -0.202 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.739 0.931 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.907 -1.496 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.161 0.237 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.438 0.369 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.400 1.507 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.717 -0.565 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.940 0.721 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.399 -0.977 0.464 1.00 0.00 H new ATOM 667 N THR A 42 -11.212 -1.341 -2.708 1.00 0.00 N ATOM 668 CA THR A 42 -12.575 -1.184 -3.262 1.00 0.00 C ATOM 669 C THR A 42 -13.526 -2.236 -2.684 1.00 0.00 C ATOM 670 O THR A 42 -14.647 -2.369 -3.134 1.00 0.00 O ATOM 671 CB THR A 42 -12.517 -1.331 -4.784 1.00 0.00 C ATOM 672 OG1 THR A 42 -12.090 -2.645 -5.116 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.531 -0.311 -5.359 1.00 0.00 C ATOM 0 H THR A 42 -10.561 -1.849 -3.306 1.00 0.00 H new ATOM 0 HA THR A 42 -12.950 -0.197 -2.992 1.00 0.00 H new ATOM 0 HB THR A 42 -13.507 -1.154 -5.205 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.336 -2.596 -5.740 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.490 -0.416 -6.443 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.860 0.697 -5.104 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.540 -0.486 -4.940 1.00 0.00 H new ATOM 681 N GLY A 43 -13.112 -2.989 -1.698 1.00 0.00 N ATOM 682 CA GLY A 43 -14.046 -4.013 -1.141 1.00 0.00 C ATOM 683 C GLY A 43 -13.439 -4.743 0.064 1.00 0.00 C ATOM 684 O GLY A 43 -13.385 -5.956 0.092 1.00 0.00 O ATOM 0 H GLY A 43 -12.191 -2.943 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.977 -3.531 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.296 -4.737 -1.916 1.00 0.00 H new ATOM 688 N TRP A 44 -13.003 -4.030 1.069 1.00 0.00 N ATOM 689 CA TRP A 44 -12.432 -4.715 2.261 1.00 0.00 C ATOM 690 C TRP A 44 -11.941 -3.685 3.278 1.00 0.00 C ATOM 691 O TRP A 44 -12.477 -3.558 4.361 1.00 0.00 O ATOM 692 CB TRP A 44 -11.261 -5.591 1.830 1.00 0.00 C ATOM 693 CG TRP A 44 -10.661 -6.234 3.037 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.595 -5.758 3.719 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.074 -7.452 3.722 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.324 -6.606 4.777 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.209 -7.666 4.822 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.103 -8.384 3.498 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.360 -8.764 5.669 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.258 -9.491 4.349 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.389 -9.680 5.433 1.00 0.00 C ATOM 0 H TRP A 44 -13.018 -3.011 1.115 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.207 -5.329 2.720 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.600 -6.353 1.128 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.513 -4.991 1.313 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.044 -4.861 3.477 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.564 -6.466 5.443 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.778 -8.248 2.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.686 -8.905 6.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -13.051 -10.201 4.167 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.515 -10.532 6.085 1.00 0.00 H new ATOM 712 N VAL A 45 -10.915 -2.961 2.939 1.00 0.00 N ATOM 713 CA VAL A 45 -10.365 -1.949 3.876 1.00 0.00 C ATOM 714 C VAL A 45 -11.460 -0.961 4.278 1.00 0.00 C ATOM 715 O VAL A 45 -12.486 -0.860 3.636 1.00 0.00 O ATOM 716 CB VAL A 45 -9.220 -1.198 3.194 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.516 -0.304 4.216 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.218 -2.205 2.622 1.00 0.00 C ATOM 0 H VAL A 45 -10.430 -3.028 2.044 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.993 -2.450 4.770 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.619 -0.583 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.700 0.231 3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.228 0.413 4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.117 -0.918 5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.402 -1.670 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.819 -2.820 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.719 -2.843 1.893 1.00 0.00 H new ATOM 728 N GLU A 46 -11.248 -0.229 5.338 1.00 0.00 N ATOM 729 CA GLU A 46 -12.274 0.755 5.782 1.00 0.00 C ATOM 730 C GLU A 46 -11.726 2.173 5.614 1.00 0.00 C ATOM 731 O GLU A 46 -10.597 2.460 5.959 1.00 0.00 O ATOM 732 CB GLU A 46 -12.620 0.509 7.251 1.00 0.00 C ATOM 733 CG GLU A 46 -13.677 -0.593 7.348 1.00 0.00 C ATOM 734 CD GLU A 46 -15.066 0.038 7.462 1.00 0.00 C ATOM 735 OE1 GLU A 46 -15.441 0.763 6.556 1.00 0.00 O ATOM 736 OE2 GLU A 46 -15.730 -0.215 8.454 1.00 0.00 O ATOM 0 H GLU A 46 -10.408 -0.271 5.915 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.173 0.639 5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.726 0.220 7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.993 1.426 7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.629 -1.235 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.481 -1.224 8.215 1.00 0.00 H new ATOM 743 N TYR A 47 -12.520 3.059 5.083 1.00 0.00 N ATOM 744 CA TYR A 47 -12.062 4.462 4.878 1.00 0.00 C ATOM 745 C TYR A 47 -12.917 5.392 5.750 1.00 0.00 C ATOM 746 O TYR A 47 -13.914 4.958 6.292 1.00 0.00 O ATOM 747 CB TYR A 47 -12.221 4.804 3.391 1.00 0.00 C ATOM 748 CG TYR A 47 -11.220 4.010 2.572 1.00 0.00 C ATOM 749 CD1 TYR A 47 -10.119 3.397 3.187 1.00 0.00 C ATOM 750 CD2 TYR A 47 -11.394 3.884 1.191 1.00 0.00 C ATOM 751 CE1 TYR A 47 -9.206 2.665 2.424 1.00 0.00 C ATOM 752 CE2 TYR A 47 -10.478 3.154 0.432 1.00 0.00 C ATOM 753 CZ TYR A 47 -9.384 2.545 1.048 1.00 0.00 C ATOM 754 OH TYR A 47 -8.481 1.821 0.299 1.00 0.00 O ATOM 0 H TYR A 47 -13.475 2.870 4.779 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.017 4.584 5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -13.235 4.577 3.062 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -12.067 5.872 3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.976 3.491 4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.240 4.353 0.710 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.361 2.192 2.902 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.616 3.060 -0.635 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.675 2.358 0.150 1.00 0.00 H new ATOM 764 N PRO A 48 -12.515 6.640 5.888 1.00 0.00 N ATOM 765 CA PRO A 48 -11.305 7.213 5.245 1.00 0.00 C ATOM 766 C PRO A 48 -10.023 6.508 5.700 1.00 0.00 C ATOM 767 O PRO A 48 -9.810 6.274 6.873 1.00 0.00 O ATOM 768 CB PRO A 48 -11.278 8.679 5.700 1.00 0.00 C ATOM 769 CG PRO A 48 -12.497 8.912 6.626 1.00 0.00 C ATOM 770 CD PRO A 48 -13.270 7.590 6.724 1.00 0.00 C ATOM 0 HA PRO A 48 -11.347 7.098 4.162 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.350 8.898 6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.319 9.347 4.839 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.170 9.238 7.614 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.136 9.699 6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -13.331 7.245 7.756 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -14.293 7.704 6.365 1.00 0.00 H new ATOM 778 N LEU A 49 -9.160 6.186 4.771 1.00 0.00 N ATOM 779 CA LEU A 49 -7.879 5.514 5.132 1.00 0.00 C ATOM 780 C LEU A 49 -6.732 6.489 4.898 1.00 0.00 C ATOM 781 O LEU A 49 -6.834 7.410 4.116 1.00 0.00 O ATOM 782 CB LEU A 49 -7.678 4.279 4.233 1.00 0.00 C ATOM 783 CG LEU A 49 -6.184 3.935 4.076 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.652 3.298 5.364 1.00 0.00 C ATOM 785 CD2 LEU A 49 -6.006 2.960 2.909 1.00 0.00 C ATOM 0 H LEU A 49 -9.289 6.361 3.774 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.905 5.205 6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.206 3.426 4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.115 4.466 3.252 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.626 4.850 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.596 3.059 5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.773 3.996 6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.209 2.385 5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.950 2.716 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.570 2.049 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.371 3.421 1.991 1.00 0.00 H new ATOM 797 N VAL A 50 -5.625 6.259 5.535 1.00 0.00 N ATOM 798 CA VAL A 50 -4.451 7.133 5.313 1.00 0.00 C ATOM 799 C VAL A 50 -3.304 6.241 4.835 1.00 0.00 C ATOM 800 O VAL A 50 -3.114 5.153 5.331 1.00 0.00 O ATOM 801 CB VAL A 50 -4.079 7.859 6.628 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.639 7.532 7.065 1.00 0.00 C ATOM 803 CG2 VAL A 50 -4.202 9.369 6.418 1.00 0.00 C ATOM 0 H VAL A 50 -5.483 5.501 6.202 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.665 7.898 4.567 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.760 7.520 7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.412 8.059 7.992 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.542 6.458 7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.943 7.847 6.288 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.941 9.887 7.341 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.526 9.682 5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.227 9.615 6.141 1.00 0.00 H new ATOM 813 N LEU A 51 -2.525 6.687 3.903 1.00 0.00 N ATOM 814 CA LEU A 51 -1.386 5.854 3.457 1.00 0.00 C ATOM 815 C LEU A 51 -0.124 6.675 3.647 1.00 0.00 C ATOM 816 O LEU A 51 0.386 7.285 2.727 1.00 0.00 O ATOM 817 CB LEU A 51 -1.524 5.440 1.991 1.00 0.00 C ATOM 818 CG LEU A 51 -0.357 4.514 1.643 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.542 3.180 2.359 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.313 4.257 0.142 1.00 0.00 C ATOM 0 H LEU A 51 -2.625 7.586 3.432 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.355 4.936 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.474 4.932 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.517 6.319 1.346 1.00 0.00 H new ATOM 0 HG LEU A 51 0.572 4.990 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.288 2.517 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.568 3.346 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.478 2.723 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.523 3.597 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.245 3.788 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.185 5.202 -0.385 1.00 0.00 H new ATOM 832 N GLU A 52 0.369 6.708 4.849 1.00 0.00 N ATOM 833 CA GLU A 52 1.586 7.498 5.126 1.00 0.00 C ATOM 834 C GLU A 52 2.796 6.713 4.633 1.00 0.00 C ATOM 835 O GLU A 52 3.477 6.035 5.382 1.00 0.00 O ATOM 836 CB GLU A 52 1.690 7.756 6.630 1.00 0.00 C ATOM 837 CG GLU A 52 3.002 8.481 6.938 1.00 0.00 C ATOM 838 CD GLU A 52 4.037 7.478 7.447 1.00 0.00 C ATOM 839 OE1 GLU A 52 3.869 6.996 8.555 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.981 7.211 6.723 1.00 0.00 O ATOM 0 H GLU A 52 -0.023 6.218 5.653 1.00 0.00 H new ATOM 0 HA GLU A 52 1.545 8.458 4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.844 8.356 6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.648 6.813 7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.373 8.978 6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.834 9.256 7.686 1.00 0.00 H new ATOM 847 N TRP A 53 3.057 6.803 3.360 1.00 0.00 N ATOM 848 CA TRP A 53 4.212 6.084 2.777 1.00 0.00 C ATOM 849 C TRP A 53 5.490 6.824 3.185 1.00 0.00 C ATOM 850 O TRP A 53 5.633 8.004 2.933 1.00 0.00 O ATOM 851 CB TRP A 53 4.074 6.075 1.253 1.00 0.00 C ATOM 852 CG TRP A 53 4.730 4.855 0.695 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.031 4.532 0.870 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.149 3.793 -0.123 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.290 3.346 0.210 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.165 2.852 -0.417 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.856 3.555 -0.638 1.00 0.00 C ATOM 858 CZ2 TRP A 53 4.913 1.721 -1.190 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.602 2.410 -1.420 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.630 1.500 -1.694 1.00 0.00 C ATOM 0 H TRP A 53 2.511 7.351 2.695 1.00 0.00 H new ATOM 0 HA TRP A 53 4.251 5.055 3.136 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.021 6.093 0.974 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.531 6.970 0.832 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.751 5.107 1.434 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.203 2.891 0.189 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.058 4.253 -0.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.706 1.018 -1.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.610 2.234 -1.809 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.430 0.626 -2.296 1.00 0.00 H new ATOM 871 N ARG A 54 6.411 6.160 3.829 1.00 0.00 N ATOM 872 CA ARG A 54 7.655 6.863 4.259 1.00 0.00 C ATOM 873 C ARG A 54 8.705 6.786 3.149 1.00 0.00 C ATOM 874 O ARG A 54 8.907 7.730 2.412 1.00 0.00 O ATOM 875 CB ARG A 54 8.202 6.210 5.532 1.00 0.00 C ATOM 876 CG ARG A 54 8.500 7.293 6.572 1.00 0.00 C ATOM 877 CD ARG A 54 9.317 6.693 7.717 1.00 0.00 C ATOM 878 NE ARG A 54 10.376 7.656 8.131 1.00 0.00 N ATOM 879 CZ ARG A 54 10.994 7.497 9.269 1.00 0.00 C ATOM 880 NH1 ARG A 54 11.047 6.318 9.824 1.00 0.00 N ATOM 881 NH2 ARG A 54 11.560 8.519 9.853 1.00 0.00 N ATOM 0 H ARG A 54 6.358 5.171 4.074 1.00 0.00 H new ATOM 0 HA ARG A 54 7.424 7.909 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.478 5.499 5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.109 5.649 5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.050 8.113 6.110 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.569 7.709 6.956 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.667 6.466 8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.769 5.753 7.401 1.00 0.00 H new ATOM 0 HE ARG A 54 10.618 8.440 7.525 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.605 5.520 9.368 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.530 6.194 10.714 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.519 9.441 9.419 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.043 8.395 10.743 1.00 0.00 H new ATOM 895 N GLN A 55 9.374 5.676 3.019 1.00 0.00 N ATOM 896 CA GLN A 55 10.404 5.557 1.952 1.00 0.00 C ATOM 897 C GLN A 55 9.736 5.089 0.661 1.00 0.00 C ATOM 898 O GLN A 55 9.249 3.980 0.571 1.00 0.00 O ATOM 899 CB GLN A 55 11.467 4.544 2.379 1.00 0.00 C ATOM 900 CG GLN A 55 11.710 4.665 3.885 1.00 0.00 C ATOM 901 CD GLN A 55 13.212 4.773 4.154 1.00 0.00 C ATOM 902 OE1 GLN A 55 13.668 5.735 4.738 1.00 0.00 O ATOM 903 NE2 GLN A 55 14.005 3.819 3.748 1.00 0.00 N ATOM 0 H GLN A 55 9.253 4.849 3.603 1.00 0.00 H new ATOM 0 HA GLN A 55 10.877 6.525 1.788 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.142 3.533 2.132 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.394 4.722 1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.196 5.542 4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.299 3.797 4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.621 3.011 3.257 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.008 3.881 3.921 1.00 0.00 H new ATOM 912 N PHE A 56 9.702 5.924 -0.340 1.00 0.00 N ATOM 913 CA PHE A 56 9.058 5.518 -1.619 1.00 0.00 C ATOM 914 C PHE A 56 10.130 5.069 -2.614 1.00 0.00 C ATOM 915 O PHE A 56 10.309 3.892 -2.853 1.00 0.00 O ATOM 916 CB PHE A 56 8.275 6.697 -2.200 1.00 0.00 C ATOM 917 CG PHE A 56 7.379 6.194 -3.302 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.160 5.586 -2.985 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.770 6.328 -4.640 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.330 5.112 -4.006 1.00 0.00 C ATOM 921 CE2 PHE A 56 6.939 5.853 -5.661 1.00 0.00 C ATOM 922 CZ PHE A 56 5.719 5.244 -5.344 1.00 0.00 C ATOM 0 H PHE A 56 10.091 6.867 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 56 8.373 4.691 -1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.682 7.176 -1.421 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.961 7.451 -2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.860 5.483 -1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.712 6.797 -4.884 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.388 4.644 -3.762 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.239 5.956 -6.693 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.078 4.876 -6.132 1.00 0.00 H new ATOM 932 N GLU A 57 10.848 5.992 -3.195 1.00 0.00 N ATOM 933 CA GLU A 57 11.904 5.601 -4.168 1.00 0.00 C ATOM 934 C GLU A 57 12.804 4.546 -3.527 1.00 0.00 C ATOM 935 O GLU A 57 13.180 3.573 -4.151 1.00 0.00 O ATOM 936 CB GLU A 57 12.740 6.825 -4.538 1.00 0.00 C ATOM 937 CG GLU A 57 11.836 7.893 -5.157 1.00 0.00 C ATOM 938 CD GLU A 57 12.231 8.112 -6.619 1.00 0.00 C ATOM 939 OE1 GLU A 57 13.282 8.689 -6.848 1.00 0.00 O ATOM 940 OE2 GLU A 57 11.477 7.699 -7.485 1.00 0.00 O ATOM 0 H GLU A 57 10.749 6.995 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 57 11.442 5.197 -5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.235 7.222 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.523 6.544 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.793 7.583 -5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.925 8.827 -4.601 1.00 0.00 H new ATOM 947 N GLN A 58 13.149 4.730 -2.283 1.00 0.00 N ATOM 948 CA GLN A 58 14.013 3.743 -1.598 1.00 0.00 C ATOM 949 C GLN A 58 13.265 2.415 -1.496 1.00 0.00 C ATOM 950 O GLN A 58 13.843 1.352 -1.603 1.00 0.00 O ATOM 951 CB GLN A 58 14.352 4.252 -0.196 1.00 0.00 C ATOM 952 CG GLN A 58 15.164 5.545 -0.304 1.00 0.00 C ATOM 953 CD GLN A 58 16.610 5.212 -0.675 1.00 0.00 C ATOM 954 OE1 GLN A 58 16.930 4.075 -0.959 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.504 6.163 -0.683 1.00 0.00 N ATOM 0 H GLN A 58 12.866 5.527 -1.713 1.00 0.00 H new ATOM 0 HA GLN A 58 14.935 3.602 -2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.437 4.431 0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.920 3.498 0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.726 6.200 -1.057 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.136 6.085 0.643 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.235 7.118 -0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.471 5.952 -0.928 1.00 0.00 H new ATOM 964 N SER A 59 11.975 2.470 -1.296 1.00 0.00 N ATOM 965 CA SER A 59 11.182 1.214 -1.195 1.00 0.00 C ATOM 966 C SER A 59 10.661 0.831 -2.582 1.00 0.00 C ATOM 967 O SER A 59 9.900 -0.104 -2.732 1.00 0.00 O ATOM 968 CB SER A 59 10.001 1.424 -0.246 1.00 0.00 C ATOM 969 OG SER A 59 9.686 0.192 0.390 1.00 0.00 O ATOM 0 H SER A 59 11.438 3.331 -1.198 1.00 0.00 H new ATOM 0 HA SER A 59 11.816 0.416 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.249 2.179 0.500 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.137 1.793 -0.798 1.00 0.00 H new ATOM 0 HG SER A 59 9.596 -0.512 -0.286 1.00 0.00 H new ATOM 975 N LYS A 60 11.073 1.539 -3.599 1.00 0.00 N ATOM 976 CA LYS A 60 10.608 1.204 -4.973 1.00 0.00 C ATOM 977 C LYS A 60 11.746 0.520 -5.735 1.00 0.00 C ATOM 978 O LYS A 60 11.524 -0.214 -6.677 1.00 0.00 O ATOM 979 CB LYS A 60 10.201 2.487 -5.701 1.00 0.00 C ATOM 980 CG LYS A 60 10.040 2.201 -7.196 1.00 0.00 C ATOM 981 CD LYS A 60 11.204 2.831 -7.965 1.00 0.00 C ATOM 982 CE LYS A 60 10.682 3.979 -8.830 1.00 0.00 C ATOM 983 NZ LYS A 60 11.580 4.162 -10.006 1.00 0.00 N ATOM 0 H LYS A 60 11.710 2.333 -3.537 1.00 0.00 H new ATOM 0 HA LYS A 60 9.750 0.534 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.266 2.869 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.955 3.259 -5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.015 1.125 -7.371 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.093 2.604 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.957 3.200 -7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.689 2.081 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.667 3.765 -9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.638 4.898 -8.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.226 4.943 -10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.541 4.385 -9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.600 3.287 -10.567 1.00 0.00 H new ATOM 997 N GLN A 61 12.966 0.765 -5.339 1.00 0.00 N ATOM 998 CA GLN A 61 14.118 0.145 -6.038 1.00 0.00 C ATOM 999 C GLN A 61 14.307 -1.300 -5.569 1.00 0.00 C ATOM 1000 O GLN A 61 14.410 -2.210 -6.367 1.00 0.00 O ATOM 1001 CB GLN A 61 15.386 0.948 -5.741 1.00 0.00 C ATOM 1002 CG GLN A 61 15.301 2.311 -6.432 1.00 0.00 C ATOM 1003 CD GLN A 61 16.524 2.506 -7.329 1.00 0.00 C ATOM 1004 OE1 GLN A 61 17.637 2.584 -6.849 1.00 0.00 O ATOM 1005 NE2 GLN A 61 16.363 2.591 -8.621 1.00 0.00 N ATOM 0 H GLN A 61 13.211 1.372 -4.557 1.00 0.00 H new ATOM 0 HA GLN A 61 13.924 0.146 -7.111 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.502 1.080 -4.665 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.264 0.405 -6.092 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.388 2.374 -7.025 1.00 0.00 H new ATOM 0 HG3 GLN A 61 15.253 3.106 -5.687 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.428 2.525 -9.024 1.00 0.00 H new ATOM 0 HE22 GLN A 61 17.172 2.723 -9.228 1.00 0.00 H new ATOM 1014 N LEU A 62 14.372 -1.512 -4.282 1.00 0.00 N ATOM 1015 CA LEU A 62 14.574 -2.905 -3.762 1.00 0.00 C ATOM 1016 C LEU A 62 13.675 -3.846 -4.557 1.00 0.00 C ATOM 1017 O LEU A 62 13.980 -5.006 -4.755 1.00 0.00 O ATOM 1018 CB LEU A 62 14.189 -3.030 -2.275 1.00 0.00 C ATOM 1019 CG LEU A 62 13.620 -1.719 -1.735 1.00 0.00 C ATOM 1020 CD1 LEU A 62 12.312 -1.406 -2.467 1.00 0.00 C ATOM 1021 CD2 LEU A 62 13.337 -1.869 -0.239 1.00 0.00 C ATOM 0 H LEU A 62 14.295 -0.788 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 62 15.630 -3.155 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.453 -3.825 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.066 -3.315 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 62 14.336 -0.912 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.898 -0.472 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.507 -1.310 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.599 -2.213 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.931 -0.935 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.615 -2.671 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.263 -2.108 0.284 1.00 0.00 H new ATOM 1033 N THR A 63 12.563 -3.344 -5.011 1.00 0.00 N ATOM 1034 CA THR A 63 11.621 -4.183 -5.793 1.00 0.00 C ATOM 1035 C THR A 63 11.166 -3.394 -7.020 1.00 0.00 C ATOM 1036 O THR A 63 10.012 -3.059 -7.147 1.00 0.00 O ATOM 1037 CB THR A 63 10.413 -4.550 -4.916 1.00 0.00 C ATOM 1038 OG1 THR A 63 9.262 -4.713 -5.732 1.00 0.00 O ATOM 1039 CG2 THR A 63 10.157 -3.444 -3.881 1.00 0.00 C ATOM 0 H THR A 63 12.265 -2.379 -4.871 1.00 0.00 H new ATOM 0 HA THR A 63 12.111 -5.102 -6.114 1.00 0.00 H new ATOM 0 HB THR A 63 10.625 -5.484 -4.395 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.325 -4.120 -6.509 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.299 -3.714 -3.265 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.036 -3.328 -3.248 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.953 -2.505 -4.395 1.00 0.00 H new ATOM 1047 N GLU A 64 12.090 -3.096 -7.909 1.00 0.00 N ATOM 1048 CA GLU A 64 11.781 -2.316 -9.156 1.00 0.00 C ATOM 1049 C GLU A 64 10.275 -2.275 -9.433 1.00 0.00 C ATOM 1050 O GLU A 64 9.651 -3.286 -9.684 1.00 0.00 O ATOM 1051 CB GLU A 64 12.492 -2.971 -10.340 1.00 0.00 C ATOM 1052 CG GLU A 64 11.913 -4.367 -10.576 1.00 0.00 C ATOM 1053 CD GLU A 64 12.848 -5.160 -11.491 1.00 0.00 C ATOM 1054 OE1 GLU A 64 13.847 -4.601 -11.913 1.00 0.00 O ATOM 1055 OE2 GLU A 64 12.549 -6.313 -11.754 1.00 0.00 O ATOM 0 H GLU A 64 13.069 -3.368 -7.819 1.00 0.00 H new ATOM 0 HA GLU A 64 12.128 -1.292 -9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.370 -2.360 -11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.562 -3.038 -10.143 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.790 -4.887 -9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.924 -4.290 -11.028 1.00 0.00 H new ATOM 1062 N ASN A 65 9.689 -1.109 -9.384 1.00 0.00 N ATOM 1063 CA ASN A 65 8.226 -0.997 -9.637 1.00 0.00 C ATOM 1064 C ASN A 65 7.466 -1.731 -8.530 1.00 0.00 C ATOM 1065 O ASN A 65 6.399 -2.269 -8.748 1.00 0.00 O ATOM 1066 CB ASN A 65 7.891 -1.625 -10.991 1.00 0.00 C ATOM 1067 CG ASN A 65 7.215 -0.584 -11.885 1.00 0.00 C ATOM 1068 OD1 ASN A 65 6.011 -0.422 -11.845 1.00 0.00 O ATOM 1069 ND2 ASN A 65 7.943 0.134 -12.695 1.00 0.00 N ATOM 0 H ASN A 65 10.162 -0.229 -9.179 1.00 0.00 H new ATOM 0 HA ASN A 65 7.936 0.054 -9.646 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.800 -1.993 -11.467 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.233 -2.483 -10.853 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.502 0.831 -13.295 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.953 -0.002 -12.729 1.00 0.00 H new ATOM 1076 N GLY A 66 8.012 -1.762 -7.344 1.00 0.00 N ATOM 1077 CA GLY A 66 7.328 -2.468 -6.225 1.00 0.00 C ATOM 1078 C GLY A 66 6.344 -1.518 -5.542 1.00 0.00 C ATOM 1079 O GLY A 66 5.160 -1.780 -5.468 1.00 0.00 O ATOM 0 H GLY A 66 8.903 -1.328 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.800 -3.344 -6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.063 -2.826 -5.504 1.00 0.00 H new ATOM 1083 N ALA A 67 6.829 -0.424 -5.028 1.00 0.00 N ATOM 1084 CA ALA A 67 5.940 0.537 -4.334 1.00 0.00 C ATOM 1085 C ALA A 67 5.192 1.403 -5.350 1.00 0.00 C ATOM 1086 O ALA A 67 4.152 1.957 -5.056 1.00 0.00 O ATOM 1087 CB ALA A 67 6.784 1.429 -3.426 1.00 0.00 C ATOM 0 H ALA A 67 7.812 -0.155 -5.061 1.00 0.00 H new ATOM 0 HA ALA A 67 5.210 -0.015 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.137 2.140 -2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.303 0.813 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.514 1.972 -4.026 1.00 0.00 H new ATOM 1093 N GLU A 68 5.706 1.526 -6.541 1.00 0.00 N ATOM 1094 CA GLU A 68 5.025 2.350 -7.561 1.00 0.00 C ATOM 1095 C GLU A 68 3.689 1.695 -7.939 1.00 0.00 C ATOM 1096 O GLU A 68 2.771 2.349 -8.391 1.00 0.00 O ATOM 1097 CB GLU A 68 5.965 2.491 -8.776 1.00 0.00 C ATOM 1098 CG GLU A 68 5.351 1.860 -10.028 1.00 0.00 C ATOM 1099 CD GLU A 68 4.178 2.713 -10.514 1.00 0.00 C ATOM 1100 OE1 GLU A 68 4.235 3.919 -10.338 1.00 0.00 O ATOM 1101 OE2 GLU A 68 3.243 2.146 -11.055 1.00 0.00 O ATOM 0 H GLU A 68 6.574 1.086 -6.848 1.00 0.00 H new ATOM 0 HA GLU A 68 4.802 3.346 -7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.169 3.546 -8.960 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.921 2.015 -8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.104 1.779 -10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.010 0.848 -9.807 1.00 0.00 H new ATOM 1108 N SER A 69 3.581 0.407 -7.763 1.00 0.00 N ATOM 1109 CA SER A 69 2.314 -0.291 -8.117 1.00 0.00 C ATOM 1110 C SER A 69 1.278 -0.124 -6.998 1.00 0.00 C ATOM 1111 O SER A 69 0.203 0.406 -7.209 1.00 0.00 O ATOM 1112 CB SER A 69 2.598 -1.779 -8.326 1.00 0.00 C ATOM 1113 OG SER A 69 2.823 -2.024 -9.708 1.00 0.00 O ATOM 0 H SER A 69 4.317 -0.193 -7.389 1.00 0.00 H new ATOM 0 HA SER A 69 1.916 0.145 -9.033 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.470 -2.080 -7.745 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.757 -2.375 -7.971 1.00 0.00 H new ATOM 0 HG SER A 69 3.007 -2.977 -9.846 1.00 0.00 H new ATOM 1119 N VAL A 70 1.582 -0.584 -5.813 1.00 0.00 N ATOM 1120 CA VAL A 70 0.605 -0.464 -4.699 1.00 0.00 C ATOM 1121 C VAL A 70 0.178 0.988 -4.572 1.00 0.00 C ATOM 1122 O VAL A 70 -0.976 1.292 -4.354 1.00 0.00 O ATOM 1123 CB VAL A 70 1.254 -0.918 -3.393 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.279 -0.684 -2.239 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.591 -2.408 -3.483 1.00 0.00 C ATOM 0 H VAL A 70 2.464 -1.036 -5.572 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.263 -1.090 -4.904 1.00 0.00 H new ATOM 0 HB VAL A 70 2.168 -0.350 -3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.738 -1.007 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.036 0.377 -2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.633 -1.255 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.054 -2.733 -2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.678 -2.978 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.282 -2.576 -4.309 1.00 0.00 H new ATOM 1135 N LEU A 71 1.102 1.889 -4.714 1.00 0.00 N ATOM 1136 CA LEU A 71 0.751 3.327 -4.612 1.00 0.00 C ATOM 1137 C LEU A 71 -0.243 3.668 -5.713 1.00 0.00 C ATOM 1138 O LEU A 71 -1.252 4.284 -5.475 1.00 0.00 O ATOM 1139 CB LEU A 71 2.001 4.172 -4.797 1.00 0.00 C ATOM 1140 CG LEU A 71 1.621 5.651 -4.780 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.499 6.133 -3.334 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.701 6.463 -5.498 1.00 0.00 C ATOM 0 H LEU A 71 2.086 1.692 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 71 0.316 3.530 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.717 3.960 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.487 3.921 -5.740 1.00 0.00 H new ATOM 0 HG LEU A 71 0.666 5.785 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.228 7.189 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.729 5.556 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.453 5.999 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.430 7.519 -5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.656 6.327 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.787 6.122 -6.530 1.00 0.00 H new ATOM 1154 N GLN A 72 0.038 3.268 -6.920 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.898 3.569 -8.037 1.00 0.00 C ATOM 1156 C GLN A 72 -2.277 3.018 -7.690 1.00 0.00 C ATOM 1157 O GLN A 72 -3.288 3.572 -8.063 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.393 2.907 -9.318 1.00 0.00 C ATOM 1159 CG GLN A 72 -0.151 3.971 -10.389 1.00 0.00 C ATOM 1160 CD GLN A 72 -0.400 3.368 -11.774 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -0.591 4.086 -12.735 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -0.408 2.070 -11.919 1.00 0.00 N ATOM 0 H GLN A 72 0.874 2.746 -7.182 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.958 4.647 -8.188 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.530 2.363 -9.118 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.122 2.179 -9.674 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.812 4.822 -10.227 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.871 4.344 -10.322 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.248 1.466 -11.113 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.574 1.661 -12.838 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.322 1.928 -6.981 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.629 1.338 -6.602 1.00 0.00 C ATOM 1173 C VAL A 73 -4.241 2.159 -5.461 1.00 0.00 C ATOM 1174 O VAL A 73 -5.443 2.254 -5.334 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.416 -0.110 -6.142 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.643 -0.616 -5.374 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.160 -1.007 -7.362 1.00 0.00 C ATOM 0 H VAL A 73 -1.504 1.419 -6.647 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.303 1.349 -7.458 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.552 -0.143 -5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.474 -1.645 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.809 0.012 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.519 -0.576 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.009 -2.035 -7.033 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.018 -0.963 -8.032 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.271 -0.660 -7.888 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.430 2.743 -4.622 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.990 3.543 -3.489 1.00 0.00 C ATOM 1189 C PHE A 74 -4.527 4.879 -4.015 1.00 0.00 C ATOM 1190 O PHE A 74 -5.553 5.367 -3.581 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.895 3.795 -2.448 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.972 2.733 -1.381 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -4.028 2.741 -0.463 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.994 1.734 -1.314 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -4.106 1.751 0.522 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -2.070 0.744 -0.327 1.00 0.00 C ATOM 1197 CZ PHE A 74 -3.127 0.753 0.591 1.00 0.00 C ATOM 0 H PHE A 74 -2.412 2.703 -4.668 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.806 2.990 -3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.914 3.780 -2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.019 4.783 -2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.783 3.512 -0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.180 1.727 -2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.922 1.757 1.230 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.314 -0.026 -0.274 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.187 -0.010 1.353 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.846 5.462 -4.957 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.296 6.749 -5.534 1.00 0.00 C ATOM 1209 C ARG A 75 -5.460 6.472 -6.467 1.00 0.00 C ATOM 1210 O ARG A 75 -6.438 7.183 -6.492 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.160 7.366 -6.338 1.00 0.00 C ATOM 1212 CG ARG A 75 -1.976 7.668 -5.417 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.839 9.182 -5.231 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.019 9.870 -6.542 1.00 0.00 N ATOM 1215 CZ ARG A 75 -1.571 9.322 -7.639 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -0.314 8.983 -7.733 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -2.379 9.114 -8.642 1.00 0.00 N ATOM 0 H ARG A 75 -2.983 5.093 -5.356 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.595 7.432 -4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.851 6.684 -7.130 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.500 8.282 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.122 7.185 -4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.059 7.260 -5.842 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.582 9.539 -4.518 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.859 9.420 -4.817 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.494 10.772 -6.582 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.318 9.146 -6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.036 8.555 -8.590 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.361 9.380 -8.569 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.029 8.686 -9.499 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.347 5.421 -7.225 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.431 5.034 -8.164 1.00 0.00 C ATOM 1233 C GLU A 76 -7.694 4.791 -7.344 1.00 0.00 C ATOM 1234 O GLU A 76 -8.754 5.299 -7.647 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.023 3.743 -8.861 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.321 4.047 -10.184 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.354 4.114 -11.310 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -6.688 3.069 -11.844 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.794 5.209 -11.619 1.00 0.00 O ATOM 0 H GLU A 76 -4.535 4.804 -7.233 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.608 5.812 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.360 3.168 -8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.904 3.127 -9.043 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.784 4.993 -10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.582 3.276 -10.401 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.575 4.034 -6.283 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.748 3.787 -5.419 1.00 0.00 C ATOM 1248 C ALA A 77 -9.178 5.139 -4.872 1.00 0.00 C ATOM 1249 O ALA A 77 -10.346 5.446 -4.773 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.375 2.848 -4.267 1.00 0.00 C ATOM 0 H ALA A 77 -6.712 3.580 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.553 3.314 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.250 2.676 -3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.026 1.898 -4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.584 3.301 -3.670 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.228 5.979 -4.562 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.587 7.333 -4.081 1.00 0.00 C ATOM 1258 C LYS A 78 -9.452 7.963 -5.164 1.00 0.00 C ATOM 1259 O LYS A 78 -10.368 8.719 -4.907 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.317 8.157 -3.919 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.381 8.960 -2.618 1.00 0.00 C ATOM 1262 CD LYS A 78 -7.508 10.450 -2.944 1.00 0.00 C ATOM 1263 CE LYS A 78 -6.922 11.276 -1.797 1.00 0.00 C ATOM 1264 NZ LYS A 78 -5.485 11.558 -2.071 1.00 0.00 N ATOM 0 H LYS A 78 -7.229 5.784 -4.622 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.110 7.291 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.446 7.501 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.199 8.831 -4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.231 8.634 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.485 8.782 -2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.984 10.676 -3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.555 10.712 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.473 12.210 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.024 10.735 -0.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.005 11.807 -1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.038 10.714 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.408 12.350 -2.740 1.00 0.00 H new ATOM 1278 N ALA A 79 -9.147 7.625 -6.384 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.902 8.145 -7.542 1.00 0.00 C ATOM 1280 C ALA A 79 -11.300 7.532 -7.540 1.00 0.00 C ATOM 1281 O ALA A 79 -12.277 8.167 -7.882 1.00 0.00 O ATOM 1282 CB ALA A 79 -9.165 7.735 -8.815 1.00 0.00 C ATOM 0 H ALA A 79 -8.384 6.993 -6.627 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.985 9.231 -7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.705 8.109 -9.685 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.159 8.155 -8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.104 6.648 -8.866 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.392 6.293 -7.146 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.702 5.603 -7.099 1.00 0.00 C ATOM 1290 C GLU A 80 -13.695 6.443 -6.293 1.00 0.00 C ATOM 1291 O GLU A 80 -14.894 6.264 -6.383 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.505 4.247 -6.419 1.00 0.00 C ATOM 1293 CG GLU A 80 -11.794 3.293 -7.375 1.00 0.00 C ATOM 1294 CD GLU A 80 -12.828 2.557 -8.229 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -13.837 2.147 -7.680 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -12.593 2.417 -9.418 1.00 0.00 O ATOM 0 H GLU A 80 -10.599 5.724 -6.851 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.093 5.465 -8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.920 4.368 -5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.469 3.832 -6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.108 3.848 -8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.196 2.576 -6.812 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.201 7.347 -5.494 1.00 0.00 N ATOM 1304 CA GLY A 81 -14.103 8.192 -4.665 1.00 0.00 C ATOM 1305 C GLY A 81 -13.844 7.884 -3.191 1.00 0.00 C ATOM 1306 O GLY A 81 -14.522 8.376 -2.311 1.00 0.00 O ATOM 0 H GLY A 81 -12.205 7.537 -5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.924 9.248 -4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.145 7.992 -4.916 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.862 7.066 -2.918 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.545 6.711 -1.512 1.00 0.00 C ATOM 1312 C CYS A 82 -11.725 7.830 -0.869 1.00 0.00 C ATOM 1313 O CYS A 82 -11.205 8.699 -1.541 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.733 5.421 -1.504 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.844 4.004 -1.692 1.00 0.00 S ATOM 0 H CYS A 82 -12.264 6.627 -3.618 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.469 6.576 -0.949 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -11.003 5.434 -2.313 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -11.174 5.337 -0.572 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.583 3.123 -0.772 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.600 7.812 0.429 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.810 8.867 1.119 1.00 0.00 C ATOM 1323 C ASP A 83 -9.496 8.262 1.621 1.00 0.00 C ATOM 1324 O ASP A 83 -9.248 8.187 2.808 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.614 9.403 2.303 1.00 0.00 C ATOM 1326 CG ASP A 83 -11.019 10.733 2.768 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -10.054 11.172 2.164 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.538 11.291 3.721 1.00 0.00 O ATOM 0 H ASP A 83 -12.013 7.109 1.043 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.595 9.682 0.428 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.656 9.540 2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.601 8.682 3.120 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.657 7.824 0.723 1.00 0.00 N ATOM 1334 CA ILE A 84 -7.362 7.216 1.141 1.00 0.00 C ATOM 1335 C ILE A 84 -6.238 8.245 1.007 1.00 0.00 C ATOM 1336 O ILE A 84 -5.577 8.318 -0.010 1.00 0.00 O ATOM 1337 CB ILE A 84 -7.041 6.036 0.235 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -8.091 4.955 0.418 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.663 5.481 0.587 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.518 4.465 -0.958 1.00 0.00 C ATOM 0 H ILE A 84 -8.813 7.861 -0.284 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.445 6.888 2.177 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.041 6.366 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.688 4.131 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.949 5.347 0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.434 4.636 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.912 6.258 0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.658 5.152 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.273 3.687 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.933 5.296 -1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.654 4.060 -1.485 1.00 0.00 H new ATOM 1352 N THR A 85 -6.004 9.036 2.015 1.00 0.00 N ATOM 1353 CA THR A 85 -4.910 10.043 1.921 1.00 0.00 C ATOM 1354 C THR A 85 -3.665 9.369 1.340 1.00 0.00 C ATOM 1355 O THR A 85 -3.315 8.269 1.713 1.00 0.00 O ATOM 1356 CB THR A 85 -4.592 10.590 3.316 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.630 11.469 3.726 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.262 11.350 3.282 1.00 0.00 C ATOM 0 H THR A 85 -6.519 9.030 2.895 1.00 0.00 H new ATOM 0 HA THR A 85 -5.221 10.866 1.277 1.00 0.00 H new ATOM 0 HB THR A 85 -4.515 9.762 4.020 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.429 11.819 4.619 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.039 11.738 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.465 10.675 2.968 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.334 12.178 2.577 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.993 10.017 0.433 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.771 9.406 -0.159 1.00 0.00 C ATOM 1368 C ILE A 86 -0.560 10.259 0.215 1.00 0.00 C ATOM 1369 O ILE A 86 -0.285 11.269 -0.401 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.912 9.343 -1.680 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -3.172 8.551 -2.039 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.688 8.649 -2.279 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -3.029 7.109 -1.546 1.00 0.00 C ATOM 0 H ILE A 86 -3.235 10.941 0.076 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.640 8.395 0.225 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.988 10.354 -2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.048 9.016 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.327 8.564 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.789 8.604 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.211 9.210 -2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.612 7.638 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.927 6.546 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.163 6.647 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.895 7.106 -0.464 1.00 0.00 H new ATOM 1385 N ILE A 87 0.161 9.865 1.228 1.00 0.00 N ATOM 1386 CA ILE A 87 1.345 10.661 1.650 1.00 0.00 C ATOM 1387 C ILE A 87 2.625 9.943 1.209 1.00 0.00 C ATOM 1388 O ILE A 87 2.733 8.736 1.290 1.00 0.00 O ATOM 1389 CB ILE A 87 1.315 10.819 3.176 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.359 11.956 3.544 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.713 11.145 3.706 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.185 11.730 4.956 1.00 0.00 C ATOM 0 H ILE A 87 -0.019 9.027 1.781 1.00 0.00 H new ATOM 0 HA ILE A 87 1.323 11.647 1.187 1.00 0.00 H new ATOM 0 HB ILE A 87 0.977 9.884 3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.878 12.913 3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.463 12.000 2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.675 11.254 4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.398 10.338 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.063 12.076 3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.866 12.540 5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.720 10.781 4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.642 11.708 5.665 1.00 0.00 H new ATOM 1404 N LEU A 88 3.594 10.680 0.737 1.00 0.00 N ATOM 1405 CA LEU A 88 4.865 10.048 0.286 1.00 0.00 C ATOM 1406 C LEU A 88 6.050 10.878 0.784 1.00 0.00 C ATOM 1407 O LEU A 88 6.204 12.030 0.429 1.00 0.00 O ATOM 1408 CB LEU A 88 4.889 9.991 -1.243 1.00 0.00 C ATOM 1409 CG LEU A 88 4.191 8.717 -1.717 1.00 0.00 C ATOM 1410 CD1 LEU A 88 2.762 9.047 -2.151 1.00 0.00 C ATOM 1411 CD2 LEU A 88 4.958 8.128 -2.901 1.00 0.00 C ATOM 0 H LEU A 88 3.559 11.695 0.644 1.00 0.00 H new ATOM 0 HA LEU A 88 4.934 9.038 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.391 10.867 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.918 10.010 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 88 4.165 7.993 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.265 8.138 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.214 9.468 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.787 9.771 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.461 7.219 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.984 8.853 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.977 7.892 -2.593 1.00 0.00 H new ATOM 1423 N SER A 89 6.888 10.305 1.603 1.00 0.00 N ATOM 1424 CA SER A 89 8.060 11.065 2.121 1.00 0.00 C ATOM 1425 C SER A 89 9.350 10.333 1.746 1.00 0.00 C ATOM 1426 O SER A 89 10.234 10.264 2.585 1.00 0.00 O ATOM 1427 CB SER A 89 7.962 11.178 3.643 1.00 0.00 C ATOM 1428 OG SER A 89 8.491 10.000 4.236 1.00 0.00 O ATOM 1429 OXT SER A 89 9.432 9.853 0.628 1.00 0.00 O ATOM 0 H SER A 89 6.812 9.344 1.936 1.00 0.00 H new ATOM 0 HA SER A 89 8.068 12.063 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.512 12.053 3.990 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.923 11.315 3.943 1.00 0.00 H new ATOM 0 HG SER A 89 9.458 9.963 4.084 1.00 0.00 H new TER 1435 SER A 89