USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 761 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 50 LYS NZ :NH3+ -163:sc= -0.4 (180deg=-0.834) USER MOD Set 1.2: A 54 LYS NZ :NH3+ -168:sc= 0 (180deg=0) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 154:sc=-0.000948 (180deg=-0.718) USER MOD Set 2.2: A 11 GLN :FLIP amide:sc= -0.456 F(o=-1.9,f=-0.46) USER MOD Single : A 3 LYS NZ :NH3+ -120:sc= 0.825 (180deg=-0.459) USER MOD Single : A 5 ASN : amide:sc= 0.744 K(o=0.74,f=-5.8!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= -0.0228 (180deg=-0.276) USER MOD Single : A 20 ASN : amide:sc= -0.325 X(o=-0.33,f=0) USER MOD Single : A 25 SER OG : rot -130:sc= 1.23 USER MOD Single : A 28 ASN : amide:sc= -0.0635 K(o=-0.063,f=-1.7!) USER MOD Single : A 33 THR OG1 : rot 84:sc= 0.208 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.019) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 47 HIS : no HD1:sc= -0.205 X(o=-0.21,f=0.031) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -100:sc= -2.58! USER MOD Single : A 60 HIS : no HE2:sc= -7.55! C(o=-7.6!,f=-7.9!) USER MOD Single : A 62 LYS NZ :NH3+ 146:sc= -0.148 (180deg=-0.682) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.233 USER MOD Single : A 84 HIS : no HD1:sc= -0.55 X(o=-0.55,f=-0.094) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -12.087 -1.217 8.709 1.00 0.00 N ATOM 21 CA LEU A 2 -12.766 -1.897 7.614 1.00 0.00 C ATOM 22 C LEU A 2 -11.957 -3.099 7.134 1.00 0.00 C ATOM 23 O LEU A 2 -10.748 -3.171 7.352 1.00 0.00 O ATOM 24 CB LEU A 2 -13.004 -0.930 6.453 1.00 0.00 C ATOM 25 CG LEU A 2 -13.817 0.317 6.804 1.00 0.00 C ATOM 26 CD1 LEU A 2 -13.803 1.308 5.650 1.00 0.00 C ATOM 27 CD2 LEU A 2 -15.246 -0.064 7.165 1.00 0.00 C ATOM 0 HA LEU A 2 -13.728 -2.253 7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -12.038 -0.616 6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -13.516 -1.466 5.654 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.358 0.794 7.670 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -14.387 2.188 5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -12.776 1.605 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -14.236 0.842 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -15.811 0.835 7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -15.714 -0.565 6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -15.238 -0.735 8.024 1.00 0.00 H new ATOM 39 N LYS A 3 -12.634 -4.037 6.481 1.00 0.00 N ATOM 40 CA LYS A 3 -11.978 -5.236 5.970 1.00 0.00 C ATOM 41 C LYS A 3 -10.895 -4.875 4.958 1.00 0.00 C ATOM 42 O LYS A 3 -10.938 -3.812 4.341 1.00 0.00 O ATOM 43 CB LYS A 3 -13.006 -6.166 5.322 1.00 0.00 C ATOM 44 CG LYS A 3 -12.628 -7.636 5.397 1.00 0.00 C ATOM 45 CD LYS A 3 -12.022 -8.124 4.091 1.00 0.00 C ATOM 46 CE LYS A 3 -13.033 -8.079 2.956 1.00 0.00 C ATOM 47 NZ LYS A 3 -13.602 -9.425 2.666 1.00 0.00 N ATOM 0 H LYS A 3 -13.635 -3.991 6.293 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.509 -5.749 6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.971 -6.022 5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.131 -5.884 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.917 -7.789 6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.512 -8.228 5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.160 -7.508 3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.659 -9.144 4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.839 -7.392 3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.555 -7.686 2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.388 -9.688 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.183 -10.125 3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.633 -9.403 2.802 1.00 0.00 H new ATOM 61 N LEU A 4 -9.926 -5.770 4.795 1.00 0.00 N ATOM 62 CA LEU A 4 -8.830 -5.549 3.857 1.00 0.00 C ATOM 63 C LEU A 4 -8.792 -6.646 2.799 1.00 0.00 C ATOM 64 O LEU A 4 -9.074 -7.810 3.087 1.00 0.00 O ATOM 65 CB LEU A 4 -7.496 -5.495 4.604 1.00 0.00 C ATOM 66 CG LEU A 4 -6.265 -5.295 3.716 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.392 -4.171 4.254 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.466 -6.587 3.611 1.00 0.00 C ATOM 0 H LEU A 4 -9.877 -6.655 5.300 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.997 -4.594 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.536 -4.684 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.374 -6.421 5.166 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.605 -5.018 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.523 -4.045 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.965 -3.244 4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.062 -4.418 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.595 -6.426 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.139 -6.894 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.091 -7.367 3.177 1.00 0.00 H new ATOM 80 N ASN A 5 -8.442 -6.269 1.573 1.00 0.00 N ATOM 81 CA ASN A 5 -8.369 -7.223 0.471 1.00 0.00 C ATOM 82 C ASN A 5 -7.009 -7.159 -0.218 1.00 0.00 C ATOM 83 O ASN A 5 -6.152 -6.357 0.152 1.00 0.00 O ATOM 84 CB ASN A 5 -9.482 -6.948 -0.540 1.00 0.00 C ATOM 85 CG ASN A 5 -10.082 -8.223 -1.101 1.00 0.00 C ATOM 86 OD1 ASN A 5 -9.369 -9.095 -1.595 1.00 0.00 O ATOM 87 ND2 ASN A 5 -11.404 -8.337 -1.027 1.00 0.00 N ATOM 0 H ASN A 5 -8.205 -5.310 1.318 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.498 -8.225 0.880 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.266 -6.360 -0.062 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.086 -6.346 -1.358 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.865 -9.172 -1.388 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.958 -7.589 -0.609 1.00 0.00 H new ATOM 94 N LEU A 6 -6.821 -8.011 -1.221 1.00 0.00 N ATOM 95 CA LEU A 6 -5.567 -8.053 -1.964 1.00 0.00 C ATOM 96 C LEU A 6 -5.818 -8.353 -3.439 1.00 0.00 C ATOM 97 O LEU A 6 -6.422 -9.368 -3.782 1.00 0.00 O ATOM 98 CB LEU A 6 -4.632 -9.110 -1.369 1.00 0.00 C ATOM 99 CG LEU A 6 -4.079 -8.780 0.018 1.00 0.00 C ATOM 100 CD1 LEU A 6 -3.569 -10.038 0.702 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.974 -7.741 -0.083 1.00 0.00 C ATOM 0 H LEU A 6 -7.521 -8.682 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.095 -7.074 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.168 -10.057 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.795 -9.258 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.887 -8.365 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.179 -9.784 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.386 -10.751 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.775 -10.482 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.592 -7.518 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.166 -8.129 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.371 -6.830 -0.532 1.00 0.00 H new ATOM 113 N LYS A 7 -5.351 -7.461 -4.307 1.00 0.00 N ATOM 114 CA LYS A 7 -5.526 -7.629 -5.745 1.00 0.00 C ATOM 115 C LYS A 7 -4.283 -8.247 -6.378 1.00 0.00 C ATOM 116 O LYS A 7 -3.265 -8.439 -5.711 1.00 0.00 O ATOM 117 CB LYS A 7 -5.829 -6.281 -6.403 1.00 0.00 C ATOM 118 CG LYS A 7 -7.129 -5.652 -5.930 1.00 0.00 C ATOM 119 CD LYS A 7 -8.301 -6.073 -6.802 1.00 0.00 C ATOM 120 CE LYS A 7 -8.337 -5.289 -8.103 1.00 0.00 C ATOM 121 NZ LYS A 7 -9.732 -4.986 -8.530 1.00 0.00 N ATOM 0 H LYS A 7 -4.849 -6.615 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.367 -8.304 -5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.008 -5.594 -6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.872 -6.415 -7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.320 -5.942 -4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.035 -4.566 -5.944 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.229 -7.139 -7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.233 -5.921 -6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.784 -4.358 -7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.834 -5.859 -8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.714 -4.450 -9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.253 -5.875 -8.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.205 -4.421 -7.796 1.00 0.00 H new ATOM 135 N LYS A 8 -4.371 -8.553 -7.668 1.00 0.00 N ATOM 136 CA LYS A 8 -3.253 -9.147 -8.391 1.00 0.00 C ATOM 137 C LYS A 8 -2.079 -8.175 -8.467 1.00 0.00 C ATOM 138 O LYS A 8 -0.935 -8.548 -8.208 1.00 0.00 O ATOM 139 CB LYS A 8 -3.687 -9.553 -9.800 1.00 0.00 C ATOM 140 CG LYS A 8 -4.265 -10.957 -9.876 1.00 0.00 C ATOM 141 CD LYS A 8 -5.661 -11.021 -9.271 1.00 0.00 C ATOM 142 CE LYS A 8 -5.706 -11.933 -8.053 1.00 0.00 C ATOM 143 NZ LYS A 8 -6.073 -11.187 -6.815 1.00 0.00 N ATOM 0 H LYS A 8 -5.205 -8.399 -8.234 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.932 -10.036 -7.848 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.431 -8.843 -10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.829 -9.485 -10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.303 -11.280 -10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.608 -11.651 -9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.981 -10.018 -8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.366 -11.380 -10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.428 -12.732 -8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.734 -12.406 -7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.515 -11.838 -6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.217 -10.774 -6.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.743 -10.428 -7.053 1.00 0.00 H new ATOM 157 N SER A 9 -2.374 -6.928 -8.819 1.00 0.00 N ATOM 158 CA SER A 9 -1.346 -5.899 -8.926 1.00 0.00 C ATOM 159 C SER A 9 -0.605 -5.729 -7.603 1.00 0.00 C ATOM 160 O SER A 9 0.537 -5.272 -7.574 1.00 0.00 O ATOM 161 CB SER A 9 -1.968 -4.567 -9.347 1.00 0.00 C ATOM 162 OG SER A 9 -0.971 -3.619 -9.684 1.00 0.00 O ATOM 0 H SER A 9 -3.317 -6.605 -9.035 1.00 0.00 H new ATOM 0 HA SER A 9 -0.631 -6.215 -9.686 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.627 -4.724 -10.201 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.584 -4.178 -8.536 1.00 0.00 H new ATOM 0 HG SER A 9 -1.397 -2.777 -9.951 1.00 0.00 H new ATOM 168 N PHE A 10 -1.262 -6.102 -6.509 1.00 0.00 N ATOM 169 CA PHE A 10 -0.663 -5.990 -5.186 1.00 0.00 C ATOM 170 C PHE A 10 0.209 -7.201 -4.876 1.00 0.00 C ATOM 171 O PHE A 10 1.149 -7.116 -4.086 1.00 0.00 O ATOM 172 CB PHE A 10 -1.749 -5.847 -4.121 1.00 0.00 C ATOM 173 CG PHE A 10 -1.229 -5.354 -2.801 1.00 0.00 C ATOM 174 CD1 PHE A 10 -1.092 -3.997 -2.556 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.873 -6.249 -1.804 1.00 0.00 C ATOM 176 CE1 PHE A 10 -0.612 -3.542 -1.344 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.393 -5.800 -0.589 1.00 0.00 C ATOM 178 CZ PHE A 10 -0.261 -4.445 -0.358 1.00 0.00 C ATOM 0 H PHE A 10 -2.208 -6.484 -6.514 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.034 -5.100 -5.177 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.513 -5.159 -4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.233 -6.812 -3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.364 -3.287 -3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.972 -7.310 -1.979 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.511 -2.482 -1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.121 -6.508 0.180 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.116 -4.092 0.591 1.00 0.00 H new ATOM 188 N GLN A 11 -0.109 -8.332 -5.497 1.00 0.00 N ATOM 189 CA GLN A 11 0.646 -9.559 -5.280 1.00 0.00 C ATOM 190 C GLN A 11 2.044 -9.461 -5.884 1.00 0.00 C ATOM 191 O GLN A 11 2.979 -10.110 -5.415 1.00 0.00 O ATOM 192 CB GLN A 11 -0.098 -10.752 -5.883 1.00 0.00 C ATOM 193 CG GLN A 11 -1.369 -11.115 -5.136 1.00 0.00 C ATOM 194 CD GLN A 11 -1.946 -12.446 -5.578 1.00 0.00 C ATOM 195 OE1 GLN A 11 -3.099 -12.403 -6.234 1.00 0.00 O flip ATOM 196 NE2 GLN A 11 -1.361 -13.502 -5.333 1.00 0.00 N flip ATOM 0 H GLN A 11 -0.884 -8.424 -6.154 1.00 0.00 H new ATOM 0 HA GLN A 11 0.747 -9.704 -4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.347 -10.528 -6.920 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.566 -11.616 -5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.160 -11.151 -4.067 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.112 -10.332 -5.289 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.476 -13.489 -4.826 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.761 -14.389 -5.637 1.00 0.00 H new ATOM 205 N LYS A 12 2.181 -8.652 -6.931 1.00 0.00 N ATOM 206 CA LYS A 12 3.467 -8.479 -7.598 1.00 0.00 C ATOM 207 C LYS A 12 4.275 -7.333 -6.985 1.00 0.00 C ATOM 208 O LYS A 12 5.436 -7.126 -7.333 1.00 0.00 O ATOM 209 CB LYS A 12 3.254 -8.222 -9.092 1.00 0.00 C ATOM 210 CG LYS A 12 2.447 -6.967 -9.385 1.00 0.00 C ATOM 211 CD LYS A 12 2.792 -6.389 -10.750 1.00 0.00 C ATOM 212 CE LYS A 12 1.693 -6.658 -11.767 1.00 0.00 C ATOM 213 NZ LYS A 12 2.078 -7.724 -12.732 1.00 0.00 N ATOM 0 H LYS A 12 1.419 -8.107 -7.335 1.00 0.00 H new ATOM 0 HA LYS A 12 4.035 -9.399 -7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.225 -8.142 -9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.747 -9.081 -9.531 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.383 -7.200 -9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.639 -6.221 -8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.951 -5.314 -10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.728 -6.821 -11.103 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.781 -6.951 -11.247 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.469 -5.740 -12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.302 -7.877 -13.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.934 -7.434 -13.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.267 -8.607 -12.216 1.00 0.00 H new ATOM 227 N ASP A 13 3.657 -6.587 -6.079 1.00 0.00 N ATOM 228 CA ASP A 13 4.327 -5.464 -5.430 1.00 0.00 C ATOM 229 C ASP A 13 5.032 -5.897 -4.144 1.00 0.00 C ATOM 230 O ASP A 13 5.866 -5.171 -3.606 1.00 0.00 O ATOM 231 CB ASP A 13 3.319 -4.346 -5.133 1.00 0.00 C ATOM 232 CG ASP A 13 2.370 -4.679 -3.989 1.00 0.00 C ATOM 233 OD1 ASP A 13 2.728 -5.513 -3.132 1.00 0.00 O ATOM 234 OD2 ASP A 13 1.269 -4.095 -3.946 1.00 0.00 O ATOM 0 H ASP A 13 2.695 -6.737 -5.776 1.00 0.00 H new ATOM 0 HA ASP A 13 5.087 -5.088 -6.115 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.861 -3.432 -4.892 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.737 -4.143 -6.032 1.00 0.00 H new ATOM 239 N PHE A 14 4.671 -7.075 -3.650 1.00 0.00 N ATOM 240 CA PHE A 14 5.245 -7.601 -2.420 1.00 0.00 C ATOM 241 C PHE A 14 6.479 -8.447 -2.705 1.00 0.00 C ATOM 242 O PHE A 14 7.563 -8.150 -2.224 1.00 0.00 O ATOM 243 CB PHE A 14 4.198 -8.422 -1.666 1.00 0.00 C ATOM 244 CG PHE A 14 4.708 -9.054 -0.400 1.00 0.00 C ATOM 245 CD1 PHE A 14 5.577 -10.134 -0.448 1.00 0.00 C ATOM 246 CD2 PHE A 14 4.315 -8.571 0.839 1.00 0.00 C ATOM 247 CE1 PHE A 14 6.043 -10.719 0.714 1.00 0.00 C ATOM 248 CE2 PHE A 14 4.778 -9.152 2.004 1.00 0.00 C ATOM 249 CZ PHE A 14 5.643 -10.228 1.941 1.00 0.00 C ATOM 0 H PHE A 14 3.980 -7.686 -4.086 1.00 0.00 H new ATOM 0 HA PHE A 14 5.554 -6.760 -1.800 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.353 -7.778 -1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.823 -9.205 -2.325 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.893 -10.522 -1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.639 -7.731 0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.719 -11.559 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.464 -8.766 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.006 -10.684 2.850 1.00 0.00 H new ATOM 259 N ASP A 15 6.301 -9.513 -3.475 1.00 0.00 N ATOM 260 CA ASP A 15 7.403 -10.408 -3.808 1.00 0.00 C ATOM 261 C ASP A 15 8.098 -10.002 -5.106 1.00 0.00 C ATOM 262 O ASP A 15 9.323 -10.066 -5.206 1.00 0.00 O ATOM 263 CB ASP A 15 6.901 -11.848 -3.914 1.00 0.00 C ATOM 264 CG ASP A 15 7.797 -12.828 -3.181 1.00 0.00 C ATOM 265 OD1 ASP A 15 8.343 -12.454 -2.123 1.00 0.00 O ATOM 266 OD2 ASP A 15 7.951 -13.968 -3.668 1.00 0.00 O ATOM 0 H ASP A 15 5.404 -9.779 -3.881 1.00 0.00 H new ATOM 0 HA ASP A 15 8.135 -10.335 -3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.891 -11.909 -3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.839 -12.132 -4.965 1.00 0.00 H new ATOM 271 N LYS A 16 7.314 -9.605 -6.107 1.00 0.00 N ATOM 272 CA LYS A 16 7.874 -9.219 -7.400 1.00 0.00 C ATOM 273 C LYS A 16 8.638 -7.902 -7.313 1.00 0.00 C ATOM 274 O LYS A 16 9.698 -7.754 -7.919 1.00 0.00 O ATOM 275 CB LYS A 16 6.771 -9.122 -8.456 1.00 0.00 C ATOM 276 CG LYS A 16 6.872 -10.183 -9.541 1.00 0.00 C ATOM 277 CD LYS A 16 6.577 -11.569 -8.992 1.00 0.00 C ATOM 278 CE LYS A 16 6.365 -12.576 -10.112 1.00 0.00 C ATOM 279 NZ LYS A 16 5.117 -12.303 -10.879 1.00 0.00 N ATOM 0 H LYS A 16 6.298 -9.543 -6.049 1.00 0.00 H new ATOM 0 HA LYS A 16 8.580 -9.995 -7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.801 -9.207 -7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.809 -8.136 -8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.172 -9.952 -10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.872 -10.167 -9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.403 -11.895 -8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.688 -11.531 -8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.219 -12.551 -10.789 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.320 -13.581 -9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.846 -13.152 -11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.353 -12.051 -10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.280 -11.515 -11.538 1.00 0.00 H new ATOM 293 N LEU A 17 8.105 -6.947 -6.557 1.00 0.00 N ATOM 294 CA LEU A 17 8.763 -5.655 -6.405 1.00 0.00 C ATOM 295 C LEU A 17 10.152 -5.839 -5.813 1.00 0.00 C ATOM 296 O LEU A 17 11.063 -5.052 -6.078 1.00 0.00 O ATOM 297 CB LEU A 17 7.937 -4.724 -5.516 1.00 0.00 C ATOM 298 CG LEU A 17 7.932 -3.256 -5.947 1.00 0.00 C ATOM 299 CD1 LEU A 17 7.011 -2.441 -5.053 1.00 0.00 C ATOM 300 CD2 LEU A 17 9.343 -2.689 -5.922 1.00 0.00 C ATOM 0 H LEU A 17 7.228 -7.042 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 17 8.852 -5.201 -7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.909 -5.084 -5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.318 -4.787 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 17 7.557 -3.198 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.020 -1.399 -5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.996 -2.833 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.355 -2.505 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.321 -1.644 -6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.746 -2.760 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.975 -3.256 -6.605 1.00 0.00 H new ATOM 312 N LEU A 18 10.308 -6.888 -5.014 1.00 0.00 N ATOM 313 CA LEU A 18 11.593 -7.178 -4.385 1.00 0.00 C ATOM 314 C LEU A 18 12.665 -7.466 -5.432 1.00 0.00 C ATOM 315 O LEU A 18 13.857 -7.301 -5.174 1.00 0.00 O ATOM 316 CB LEU A 18 11.471 -8.369 -3.430 1.00 0.00 C ATOM 317 CG LEU A 18 10.778 -8.080 -2.094 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.796 -6.925 -2.223 1.00 0.00 C ATOM 319 CD2 LEU A 18 10.081 -9.331 -1.581 1.00 0.00 C ATOM 0 H LEU A 18 9.566 -7.549 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 18 11.889 -6.295 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.924 -9.164 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.471 -8.751 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 18 11.539 -7.786 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.320 -6.743 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.329 -6.028 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.035 -7.175 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.593 -9.112 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.335 -9.655 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.815 -10.124 -1.437 1.00 0.00 H new ATOM 331 N LEU A 19 12.236 -7.898 -6.614 1.00 0.00 N ATOM 332 CA LEU A 19 13.164 -8.210 -7.696 1.00 0.00 C ATOM 333 C LEU A 19 13.430 -6.986 -8.573 1.00 0.00 C ATOM 334 O LEU A 19 13.960 -7.112 -9.676 1.00 0.00 O ATOM 335 CB LEU A 19 12.616 -9.356 -8.548 1.00 0.00 C ATOM 336 CG LEU A 19 13.219 -10.730 -8.246 1.00 0.00 C ATOM 337 CD1 LEU A 19 12.186 -11.825 -8.467 1.00 0.00 C ATOM 338 CD2 LEU A 19 14.449 -10.972 -9.108 1.00 0.00 C ATOM 0 H LEU A 19 11.253 -8.040 -6.847 1.00 0.00 H new ATOM 0 HA LEU A 19 14.109 -8.515 -7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.537 -9.410 -8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.789 -9.123 -9.599 1.00 0.00 H new ATOM 0 HG LEU A 19 13.523 -10.752 -7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.632 -12.795 -8.248 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.334 -11.660 -7.808 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.851 -11.806 -9.504 1.00 0.00 H new ATOM 0 HD21 LEU A 19 14.865 -11.953 -8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.169 -10.932 -10.161 1.00 0.00 H new ATOM 0 HD23 LEU A 19 15.195 -10.205 -8.901 1.00 0.00 H new ATOM 350 N ASN A 20 13.067 -5.805 -8.079 1.00 0.00 N ATOM 351 CA ASN A 20 13.274 -4.568 -8.825 1.00 0.00 C ATOM 352 C ASN A 20 14.095 -3.573 -8.011 1.00 0.00 C ATOM 353 O ASN A 20 13.765 -2.388 -7.944 1.00 0.00 O ATOM 354 CB ASN A 20 11.931 -3.947 -9.212 1.00 0.00 C ATOM 355 CG ASN A 20 11.955 -3.335 -10.600 1.00 0.00 C ATOM 356 OD1 ASN A 20 11.047 -3.552 -11.402 1.00 0.00 O ATOM 357 ND2 ASN A 20 12.998 -2.565 -10.887 1.00 0.00 N ATOM 0 H ASN A 20 12.629 -5.679 -7.167 1.00 0.00 H new ATOM 0 HA ASN A 20 13.826 -4.810 -9.733 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.155 -4.711 -9.168 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.665 -3.180 -8.484 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.070 -2.125 -11.804 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.727 -2.413 -10.190 1.00 0.00 H new ATOM 364 N GLY A 21 15.165 -4.061 -7.393 1.00 0.00 N ATOM 365 CA GLY A 21 16.015 -3.201 -6.591 1.00 0.00 C ATOM 366 C GLY A 21 15.347 -2.774 -5.299 1.00 0.00 C ATOM 367 O GLY A 21 15.629 -1.700 -4.769 1.00 0.00 O ATOM 0 H GLY A 21 15.459 -5.037 -7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.944 -3.724 -6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.282 -2.316 -7.169 1.00 0.00 H new ATOM 371 N PHE A 22 14.456 -3.621 -4.793 1.00 0.00 N ATOM 372 CA PHE A 22 13.740 -3.332 -3.556 1.00 0.00 C ATOM 373 C PHE A 22 14.152 -4.303 -2.452 1.00 0.00 C ATOM 374 O PHE A 22 14.346 -5.492 -2.698 1.00 0.00 O ATOM 375 CB PHE A 22 12.230 -3.414 -3.796 1.00 0.00 C ATOM 376 CG PHE A 22 11.404 -3.133 -2.572 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.354 -4.043 -1.530 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.681 -1.956 -2.466 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.597 -3.784 -0.403 1.00 0.00 C ATOM 380 CE2 PHE A 22 9.923 -1.691 -1.342 1.00 0.00 C ATOM 381 CZ PHE A 22 9.881 -2.607 -0.309 1.00 0.00 C ATOM 0 H PHE A 22 14.213 -4.514 -5.221 1.00 0.00 H new ATOM 0 HA PHE A 22 13.996 -2.322 -3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.957 -2.705 -4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.984 -4.409 -4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.912 -4.965 -1.598 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.710 -1.237 -3.272 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.565 -4.502 0.404 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.364 -0.769 -1.271 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.289 -2.403 0.571 1.00 0.00 H new ATOM 391 N ASP A 23 14.285 -3.785 -1.235 1.00 0.00 N ATOM 392 CA ASP A 23 14.674 -4.605 -0.091 1.00 0.00 C ATOM 393 C ASP A 23 13.450 -5.036 0.711 1.00 0.00 C ATOM 394 O ASP A 23 12.725 -4.203 1.255 1.00 0.00 O ATOM 395 CB ASP A 23 15.643 -3.835 0.809 1.00 0.00 C ATOM 396 CG ASP A 23 16.648 -4.744 1.488 1.00 0.00 C ATOM 397 OD1 ASP A 23 17.146 -5.679 0.826 1.00 0.00 O ATOM 398 OD2 ASP A 23 16.938 -4.522 2.683 1.00 0.00 O ATOM 0 H ASP A 23 14.129 -2.801 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 23 15.171 -5.498 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.174 -3.091 0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 23 15.078 -3.293 1.567 1.00 0.00 H new ATOM 403 N ASP A 24 13.226 -6.345 0.782 1.00 0.00 N ATOM 404 CA ASP A 24 12.089 -6.891 1.516 1.00 0.00 C ATOM 405 C ASP A 24 12.141 -6.496 2.990 1.00 0.00 C ATOM 406 O ASP A 24 11.107 -6.383 3.648 1.00 0.00 O ATOM 407 CB ASP A 24 12.057 -8.414 1.387 1.00 0.00 C ATOM 408 CG ASP A 24 13.291 -9.071 1.974 1.00 0.00 C ATOM 409 OD1 ASP A 24 13.515 -8.929 3.194 1.00 0.00 O ATOM 410 OD2 ASP A 24 14.033 -9.726 1.212 1.00 0.00 O ATOM 0 H ASP A 24 13.818 -7.048 0.339 1.00 0.00 H new ATOM 0 HA ASP A 24 11.180 -6.474 1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.170 -8.800 1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.971 -8.685 0.335 1.00 0.00 H new ATOM 415 N SER A 25 13.351 -6.292 3.502 1.00 0.00 N ATOM 416 CA SER A 25 13.538 -5.914 4.898 1.00 0.00 C ATOM 417 C SER A 25 12.738 -4.662 5.252 1.00 0.00 C ATOM 418 O SER A 25 12.418 -4.428 6.418 1.00 0.00 O ATOM 419 CB SER A 25 15.020 -5.682 5.191 1.00 0.00 C ATOM 420 OG SER A 25 15.441 -4.413 4.720 1.00 0.00 O ATOM 0 H SER A 25 14.217 -6.382 2.970 1.00 0.00 H new ATOM 0 HA SER A 25 13.172 -6.736 5.514 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.197 -5.752 6.264 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.614 -6.464 4.718 1.00 0.00 H new ATOM 0 HG SER A 25 16.259 -4.516 4.189 1.00 0.00 H new ATOM 426 N VAL A 26 12.417 -3.857 4.243 1.00 0.00 N ATOM 427 CA VAL A 26 11.660 -2.629 4.458 1.00 0.00 C ATOM 428 C VAL A 26 10.157 -2.888 4.419 1.00 0.00 C ATOM 429 O VAL A 26 9.406 -2.361 5.239 1.00 0.00 O ATOM 430 CB VAL A 26 12.010 -1.561 3.405 1.00 0.00 C ATOM 431 CG1 VAL A 26 11.364 -0.230 3.757 1.00 0.00 C ATOM 432 CG2 VAL A 26 13.518 -1.413 3.277 1.00 0.00 C ATOM 0 H VAL A 26 12.669 -4.033 3.270 1.00 0.00 H new ATOM 0 HA VAL A 26 11.936 -2.262 5.447 1.00 0.00 H new ATOM 0 HB VAL A 26 11.616 -1.885 2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.623 0.511 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.281 -0.349 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.724 0.103 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.747 -0.654 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.937 -1.113 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.953 -2.365 2.973 1.00 0.00 H new ATOM 442 N LEU A 27 9.721 -3.700 3.461 1.00 0.00 N ATOM 443 CA LEU A 27 8.307 -4.021 3.319 1.00 0.00 C ATOM 444 C LEU A 27 7.764 -4.678 4.588 1.00 0.00 C ATOM 445 O LEU A 27 6.596 -4.505 4.937 1.00 0.00 O ATOM 446 CB LEU A 27 8.083 -4.931 2.103 1.00 0.00 C ATOM 447 CG LEU A 27 8.069 -6.435 2.394 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.648 -6.911 2.645 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.694 -7.207 1.242 1.00 0.00 C ATOM 0 H LEU A 27 10.327 -4.147 2.773 1.00 0.00 H new ATOM 0 HA LEU A 27 7.762 -3.090 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.134 -4.660 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.865 -4.728 1.371 1.00 0.00 H new ATOM 0 HG LEU A 27 8.660 -6.620 3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.654 -7.981 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.232 -6.380 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.037 -6.714 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.675 -8.274 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.130 -7.018 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.726 -6.883 1.104 1.00 0.00 H new ATOM 461 N ASN A 28 8.620 -5.432 5.271 1.00 0.00 N ATOM 462 CA ASN A 28 8.227 -6.115 6.500 1.00 0.00 C ATOM 463 C ASN A 28 7.618 -5.133 7.497 1.00 0.00 C ATOM 464 O ASN A 28 6.745 -5.492 8.285 1.00 0.00 O ATOM 465 CB ASN A 28 9.433 -6.816 7.128 1.00 0.00 C ATOM 466 CG ASN A 28 9.028 -7.918 8.087 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.917 -8.442 8.014 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.930 -8.274 8.994 1.00 0.00 N ATOM 0 H ASN A 28 9.590 -5.586 4.995 1.00 0.00 H new ATOM 0 HA ASN A 28 7.474 -6.861 6.246 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.057 -7.236 6.339 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.041 -6.082 7.658 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.714 -9.009 9.667 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.839 -7.812 9.018 1.00 0.00 H new ATOM 475 N GLU A 29 8.086 -3.891 7.449 1.00 0.00 N ATOM 476 CA GLU A 29 7.588 -2.850 8.340 1.00 0.00 C ATOM 477 C GLU A 29 6.283 -2.263 7.812 1.00 0.00 C ATOM 478 O GLU A 29 5.489 -1.706 8.570 1.00 0.00 O ATOM 479 CB GLU A 29 8.634 -1.745 8.499 1.00 0.00 C ATOM 480 CG GLU A 29 9.669 -2.038 9.575 1.00 0.00 C ATOM 481 CD GLU A 29 10.482 -0.815 9.949 1.00 0.00 C ATOM 482 OE1 GLU A 29 11.373 -0.429 9.160 1.00 0.00 O ATOM 483 OE2 GLU A 29 10.229 -0.241 11.029 1.00 0.00 O ATOM 0 H GLU A 29 8.810 -3.580 6.802 1.00 0.00 H new ATOM 0 HA GLU A 29 7.394 -3.299 9.314 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.143 -1.598 7.547 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.129 -0.809 8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.166 -2.421 10.463 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.340 -2.823 9.225 1.00 0.00 H new ATOM 490 N VAL A 30 6.068 -2.389 6.505 1.00 0.00 N ATOM 491 CA VAL A 30 4.861 -1.872 5.871 1.00 0.00 C ATOM 492 C VAL A 30 3.675 -2.798 6.116 1.00 0.00 C ATOM 493 O VAL A 30 2.778 -2.483 6.900 1.00 0.00 O ATOM 494 CB VAL A 30 5.064 -1.696 4.353 1.00 0.00 C ATOM 495 CG1 VAL A 30 3.778 -1.233 3.682 1.00 0.00 C ATOM 496 CG2 VAL A 30 6.198 -0.721 4.077 1.00 0.00 C ATOM 0 H VAL A 30 6.716 -2.846 5.864 1.00 0.00 H new ATOM 0 HA VAL A 30 4.653 -0.900 6.317 1.00 0.00 H new ATOM 0 HB VAL A 30 5.333 -2.664 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.948 -1.116 2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.995 -1.973 3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.470 -0.278 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.327 -0.609 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.960 0.248 4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.120 -1.102 4.515 1.00 0.00 H new ATOM 506 N ILE A 31 3.676 -3.945 5.440 1.00 0.00 N ATOM 507 CA ILE A 31 2.602 -4.922 5.580 1.00 0.00 C ATOM 508 C ILE A 31 2.282 -5.172 7.054 1.00 0.00 C ATOM 509 O ILE A 31 1.132 -5.413 7.419 1.00 0.00 O ATOM 510 CB ILE A 31 2.974 -6.252 4.881 1.00 0.00 C ATOM 511 CG1 ILE A 31 2.496 -6.234 3.428 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.391 -7.454 5.616 1.00 0.00 C ATOM 513 CD1 ILE A 31 3.061 -5.087 2.621 1.00 0.00 C ATOM 0 H ILE A 31 4.411 -4.220 4.789 1.00 0.00 H new ATOM 0 HA ILE A 31 1.714 -4.513 5.098 1.00 0.00 H new ATOM 0 HB ILE A 31 4.060 -6.348 4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.773 -7.174 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.408 -6.177 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.673 -8.370 5.097 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.778 -7.481 6.634 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.304 -7.372 5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.680 -5.137 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.762 -4.142 3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.149 -5.154 2.605 1.00 0.00 H new ATOM 525 N LEU A 32 3.308 -5.104 7.894 1.00 0.00 N ATOM 526 CA LEU A 32 3.138 -5.316 9.325 1.00 0.00 C ATOM 527 C LEU A 32 2.148 -4.309 9.902 1.00 0.00 C ATOM 528 O LEU A 32 1.157 -4.688 10.527 1.00 0.00 O ATOM 529 CB LEU A 32 4.496 -5.210 10.037 1.00 0.00 C ATOM 530 CG LEU A 32 4.450 -4.724 11.489 1.00 0.00 C ATOM 531 CD1 LEU A 32 5.558 -5.374 12.304 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.561 -3.205 11.546 1.00 0.00 C ATOM 0 H LEU A 32 4.266 -4.904 7.608 1.00 0.00 H new ATOM 0 HA LEU A 32 2.736 -6.316 9.486 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.974 -6.190 10.016 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.132 -4.533 9.467 1.00 0.00 H new ATOM 0 HG LEU A 32 3.492 -5.015 11.921 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.510 -5.017 13.333 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.433 -6.457 12.289 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.526 -5.114 11.875 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.527 -2.876 12.585 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.504 -2.892 11.097 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.732 -2.759 10.997 1.00 0.00 H new ATOM 544 N THR A 33 2.421 -3.029 9.686 1.00 0.00 N ATOM 545 CA THR A 33 1.553 -1.972 10.187 1.00 0.00 C ATOM 546 C THR A 33 0.136 -2.125 9.641 1.00 0.00 C ATOM 547 O THR A 33 -0.841 -1.825 10.327 1.00 0.00 O ATOM 548 CB THR A 33 2.116 -0.600 9.812 1.00 0.00 C ATOM 549 OG1 THR A 33 3.394 -0.407 10.390 1.00 0.00 O ATOM 550 CG2 THR A 33 1.236 0.552 10.250 1.00 0.00 C ATOM 0 H THR A 33 3.235 -2.698 9.168 1.00 0.00 H new ATOM 0 HA THR A 33 1.512 -2.053 11.273 1.00 0.00 H new ATOM 0 HB THR A 33 2.170 -0.600 8.723 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.076 -0.819 9.820 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.695 1.494 9.952 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.257 0.461 9.780 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.122 0.531 11.334 1.00 0.00 H new ATOM 558 N LEU A 34 0.032 -2.595 8.402 1.00 0.00 N ATOM 559 CA LEU A 34 -1.266 -2.787 7.765 1.00 0.00 C ATOM 560 C LEU A 34 -2.053 -3.892 8.460 1.00 0.00 C ATOM 561 O LEU A 34 -3.236 -3.732 8.760 1.00 0.00 O ATOM 562 CB LEU A 34 -1.087 -3.126 6.285 1.00 0.00 C ATOM 563 CG LEU A 34 -0.233 -2.134 5.492 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.179 -2.530 4.026 1.00 0.00 C ATOM 565 CD2 LEU A 34 -0.776 -0.723 5.646 1.00 0.00 C ATOM 0 H LEU A 34 0.830 -2.850 7.820 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.826 -1.856 7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.635 -4.115 6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.071 -3.187 5.820 1.00 0.00 H new ATOM 0 HG LEU A 34 0.781 -2.157 5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.432 -1.813 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.257 -3.525 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.188 -2.537 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.157 -0.031 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.800 -0.685 5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.761 -0.440 6.699 1.00 0.00 H new ATOM 577 N ARG A 35 -1.388 -5.015 8.714 1.00 0.00 N ATOM 578 CA ARG A 35 -2.026 -6.149 9.375 1.00 0.00 C ATOM 579 C ARG A 35 -1.748 -6.137 10.878 1.00 0.00 C ATOM 580 O ARG A 35 -1.867 -7.162 11.547 1.00 0.00 O ATOM 581 CB ARG A 35 -1.534 -7.465 8.767 1.00 0.00 C ATOM 582 CG ARG A 35 -1.377 -7.422 7.256 1.00 0.00 C ATOM 583 CD ARG A 35 -1.003 -8.784 6.696 1.00 0.00 C ATOM 584 NE ARG A 35 0.239 -9.291 7.271 1.00 0.00 N ATOM 585 CZ ARG A 35 0.904 -10.340 6.792 1.00 0.00 C ATOM 586 NH1 ARG A 35 0.450 -10.995 5.731 1.00 0.00 N ATOM 587 NH2 ARG A 35 2.027 -10.736 7.378 1.00 0.00 N ATOM 0 H ARG A 35 -0.408 -5.164 8.472 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.102 -6.063 9.223 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.575 -7.725 9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.234 -8.259 9.028 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.308 -7.084 6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.610 -6.695 6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.809 -9.491 6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.899 -8.714 5.613 1.00 0.00 H new ATOM 0 HE ARG A 35 0.620 -8.813 8.088 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.413 -10.695 5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.964 -11.798 5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.380 -10.237 8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.537 -11.540 7.012 1.00 0.00 H new ATOM 601 N LYS A 36 -1.375 -4.971 11.403 1.00 0.00 N ATOM 602 CA LYS A 36 -1.080 -4.834 12.825 1.00 0.00 C ATOM 603 C LYS A 36 -2.281 -4.285 13.593 1.00 0.00 C ATOM 604 O LYS A 36 -2.155 -3.886 14.750 1.00 0.00 O ATOM 605 CB LYS A 36 0.127 -3.917 13.027 1.00 0.00 C ATOM 606 CG LYS A 36 1.428 -4.668 13.252 1.00 0.00 C ATOM 607 CD LYS A 36 1.518 -5.218 14.665 1.00 0.00 C ATOM 608 CE LYS A 36 2.889 -5.814 14.942 1.00 0.00 C ATOM 609 NZ LYS A 36 2.914 -6.585 16.215 1.00 0.00 N ATOM 0 H LYS A 36 -1.271 -4.111 10.865 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.852 -5.826 13.215 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.235 -3.274 12.154 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.060 -3.266 13.881 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.505 -5.487 12.537 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.270 -4.002 13.066 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.314 -4.421 15.381 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.752 -5.980 14.810 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.174 -6.467 14.117 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.629 -5.015 14.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.866 -6.974 16.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.667 -5.957 17.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.226 -7.363 16.163 1.00 0.00 H new ATOM 623 N LYS A 37 -3.443 -4.268 12.947 1.00 0.00 N ATOM 624 CA LYS A 37 -4.658 -3.766 13.582 1.00 0.00 C ATOM 625 C LYS A 37 -4.509 -2.294 13.950 1.00 0.00 C ATOM 626 O LYS A 37 -5.143 -1.812 14.889 1.00 0.00 O ATOM 627 CB LYS A 37 -4.988 -4.583 14.836 1.00 0.00 C ATOM 628 CG LYS A 37 -4.462 -6.011 14.798 1.00 0.00 C ATOM 629 CD LYS A 37 -5.180 -6.895 15.806 1.00 0.00 C ATOM 630 CE LYS A 37 -4.607 -6.727 17.203 1.00 0.00 C ATOM 631 NZ LYS A 37 -5.614 -7.024 18.257 1.00 0.00 N ATOM 0 H LYS A 37 -3.569 -4.594 11.989 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.475 -3.867 12.868 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.573 -4.076 15.707 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.070 -4.608 14.967 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.590 -6.421 13.796 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.392 -6.012 15.008 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.242 -6.649 15.815 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.097 -7.938 15.501 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.749 -7.388 17.325 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.244 -5.707 17.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.183 -6.897 19.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.422 -6.377 18.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.942 -8.006 18.157 1.00 0.00 H new ATOM 645 N GLU A 38 -3.668 -1.582 13.206 1.00 0.00 N ATOM 646 CA GLU A 38 -3.438 -0.163 13.458 1.00 0.00 C ATOM 647 C GLU A 38 -3.856 0.679 12.252 1.00 0.00 C ATOM 648 O GLU A 38 -3.373 0.463 11.141 1.00 0.00 O ATOM 649 CB GLU A 38 -1.961 0.084 13.780 1.00 0.00 C ATOM 650 CG GLU A 38 -1.744 1.061 14.925 1.00 0.00 C ATOM 651 CD GLU A 38 -1.437 0.364 16.235 1.00 0.00 C ATOM 652 OE1 GLU A 38 -1.887 -0.787 16.416 1.00 0.00 O ATOM 653 OE2 GLU A 38 -0.744 0.969 17.081 1.00 0.00 O ATOM 0 H GLU A 38 -3.135 -1.964 12.425 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.045 0.133 14.313 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.488 -0.866 14.029 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.462 0.465 12.889 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.923 1.733 14.674 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.635 1.677 15.046 1.00 0.00 H new ATOM 660 N PRO A 39 -4.761 1.655 12.454 1.00 0.00 N ATOM 661 CA PRO A 39 -5.235 2.522 11.371 1.00 0.00 C ATOM 662 C PRO A 39 -4.194 3.557 10.958 1.00 0.00 C ATOM 663 O PRO A 39 -3.379 3.991 11.773 1.00 0.00 O ATOM 664 CB PRO A 39 -6.456 3.209 11.982 1.00 0.00 C ATOM 665 CG PRO A 39 -6.176 3.238 13.444 1.00 0.00 C ATOM 666 CD PRO A 39 -5.394 1.988 13.746 1.00 0.00 C ATOM 0 HA PRO A 39 -5.452 1.960 10.463 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.586 4.215 11.583 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.371 2.659 11.764 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.607 4.128 13.714 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.103 3.266 14.017 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.651 2.158 14.525 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.042 1.184 14.094 1.00 0.00 H new ATOM 674 N LEU A 40 -4.227 3.949 9.690 1.00 0.00 N ATOM 675 CA LEU A 40 -3.286 4.934 9.168 1.00 0.00 C ATOM 676 C LEU A 40 -3.821 6.350 9.360 1.00 0.00 C ATOM 677 O LEU A 40 -4.950 6.655 8.978 1.00 0.00 O ATOM 678 CB LEU A 40 -3.014 4.673 7.687 1.00 0.00 C ATOM 679 CG LEU A 40 -2.367 3.322 7.375 1.00 0.00 C ATOM 680 CD1 LEU A 40 -2.905 2.759 6.068 1.00 0.00 C ATOM 681 CD2 LEU A 40 -0.853 3.459 7.315 1.00 0.00 C ATOM 0 H LEU A 40 -4.896 3.600 9.003 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.352 4.840 9.722 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.956 4.742 7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.368 5.464 7.307 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.619 2.627 8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.433 1.798 5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.984 2.624 6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.685 3.451 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.408 2.489 7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.583 4.170 6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.482 3.816 8.276 1.00 0.00 H new ATOM 693 N ASP A 41 -3.001 7.210 9.957 1.00 0.00 N ATOM 694 CA ASP A 41 -3.390 8.594 10.202 1.00 0.00 C ATOM 695 C ASP A 41 -3.464 9.383 8.896 1.00 0.00 C ATOM 696 O ASP A 41 -2.851 9.004 7.898 1.00 0.00 O ATOM 697 CB ASP A 41 -2.399 9.261 11.157 1.00 0.00 C ATOM 698 CG ASP A 41 -2.680 8.928 12.608 1.00 0.00 C ATOM 699 OD1 ASP A 41 -2.550 7.743 12.981 1.00 0.00 O ATOM 700 OD2 ASP A 41 -3.029 9.852 13.373 1.00 0.00 O ATOM 0 H ASP A 41 -2.063 6.972 10.280 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.380 8.590 10.658 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.387 8.945 10.904 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.439 10.342 11.021 1.00 0.00 H new ATOM 705 N PRO A 42 -4.217 10.497 8.890 1.00 0.00 N ATOM 706 CA PRO A 42 -4.366 11.342 7.700 1.00 0.00 C ATOM 707 C PRO A 42 -3.081 12.088 7.350 1.00 0.00 C ATOM 708 O PRO A 42 -2.974 12.685 6.279 1.00 0.00 O ATOM 709 CB PRO A 42 -5.465 12.329 8.099 1.00 0.00 C ATOM 710 CG PRO A 42 -5.396 12.392 9.586 1.00 0.00 C ATOM 711 CD PRO A 42 -4.977 11.020 10.040 1.00 0.00 C ATOM 0 HA PRO A 42 -4.603 10.755 6.813 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.298 13.309 7.653 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.444 11.989 7.762 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.680 13.146 9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.362 12.665 10.010 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.364 11.064 10.940 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.838 10.393 10.271 1.00 0.00 H new ATOM 719 N GLN A 43 -2.107 12.047 8.255 1.00 0.00 N ATOM 720 CA GLN A 43 -0.832 12.718 8.032 1.00 0.00 C ATOM 721 C GLN A 43 0.128 11.836 7.233 1.00 0.00 C ATOM 722 O GLN A 43 1.290 12.192 7.038 1.00 0.00 O ATOM 723 CB GLN A 43 -0.195 13.101 9.370 1.00 0.00 C ATOM 724 CG GLN A 43 0.085 11.910 10.273 1.00 0.00 C ATOM 725 CD GLN A 43 1.568 11.690 10.507 1.00 0.00 C ATOM 726 OE1 GLN A 43 2.119 12.124 11.518 1.00 0.00 O ATOM 727 NE2 GLN A 43 2.220 11.013 9.569 1.00 0.00 N ATOM 0 H GLN A 43 -2.177 11.557 9.147 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.026 13.621 7.453 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.739 13.630 9.180 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.854 13.795 9.892 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.412 12.061 11.231 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.346 11.013 9.829 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.722 10.672 8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.219 10.834 9.671 1.00 0.00 H new ATOM 736 N PHE A 44 -0.362 10.686 6.770 1.00 0.00 N ATOM 737 CA PHE A 44 0.458 9.765 5.993 1.00 0.00 C ATOM 738 C PHE A 44 0.296 10.012 4.493 1.00 0.00 C ATOM 739 O PHE A 44 0.644 9.161 3.676 1.00 0.00 O ATOM 740 CB PHE A 44 0.088 8.318 6.325 1.00 0.00 C ATOM 741 CG PHE A 44 0.868 7.750 7.477 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.835 8.361 8.721 1.00 0.00 C ATOM 743 CD2 PHE A 44 1.630 6.605 7.316 1.00 0.00 C ATOM 744 CE1 PHE A 44 1.551 7.840 9.782 1.00 0.00 C ATOM 745 CE2 PHE A 44 2.348 6.079 8.373 1.00 0.00 C ATOM 746 CZ PHE A 44 2.309 6.697 9.608 1.00 0.00 C ATOM 0 H PHE A 44 -1.321 10.373 6.921 1.00 0.00 H new ATOM 0 HA PHE A 44 1.501 9.939 6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.976 8.267 6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.253 7.698 5.444 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.244 9.254 8.862 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.664 6.117 6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.518 8.325 10.746 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.939 5.186 8.234 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.869 6.288 10.436 1.00 0.00 H new ATOM 756 N GLN A 45 -0.232 11.181 4.138 1.00 0.00 N ATOM 757 CA GLN A 45 -0.434 11.533 2.737 1.00 0.00 C ATOM 758 C GLN A 45 -1.442 10.598 2.076 1.00 0.00 C ATOM 759 O GLN A 45 -1.365 10.336 0.875 1.00 0.00 O ATOM 760 CB GLN A 45 0.893 11.488 1.976 1.00 0.00 C ATOM 761 CG GLN A 45 2.054 12.106 2.738 1.00 0.00 C ATOM 762 CD GLN A 45 1.808 13.560 3.095 1.00 0.00 C ATOM 763 OE1 GLN A 45 1.105 14.276 2.383 1.00 0.00 O ATOM 764 NE2 GLN A 45 2.390 14.002 4.204 1.00 0.00 N ATOM 0 H GLN A 45 -0.527 11.898 4.800 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.830 12.548 2.703 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.133 10.451 1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.775 12.009 1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.230 11.536 3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.960 12.031 2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.965 13.372 4.764 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.262 14.971 4.496 1.00 0.00 H new ATOM 773 N ASP A 46 -2.387 10.098 2.865 1.00 0.00 N ATOM 774 CA ASP A 46 -3.408 9.192 2.353 1.00 0.00 C ATOM 775 C ASP A 46 -4.613 9.968 1.834 1.00 0.00 C ATOM 776 O ASP A 46 -5.571 10.215 2.568 1.00 0.00 O ATOM 777 CB ASP A 46 -3.845 8.216 3.447 1.00 0.00 C ATOM 778 CG ASP A 46 -4.385 8.925 4.674 1.00 0.00 C ATOM 779 OD1 ASP A 46 -3.573 9.336 5.528 1.00 0.00 O ATOM 780 OD2 ASP A 46 -5.622 9.070 4.781 1.00 0.00 O ATOM 0 H ASP A 46 -2.467 10.305 3.861 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.979 8.629 1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.610 7.549 3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.998 7.594 3.734 1.00 0.00 H new ATOM 785 N HIS A 47 -4.559 10.354 0.562 1.00 0.00 N ATOM 786 CA HIS A 47 -5.649 11.104 -0.056 1.00 0.00 C ATOM 787 C HIS A 47 -5.842 10.684 -1.509 1.00 0.00 C ATOM 788 O HIS A 47 -5.088 9.865 -2.034 1.00 0.00 O ATOM 789 CB HIS A 47 -5.369 12.604 0.019 1.00 0.00 C ATOM 790 CG HIS A 47 -4.023 12.992 -0.512 1.00 0.00 C ATOM 791 ND1 HIS A 47 -2.917 13.161 0.294 1.00 0.00 N ATOM 792 CD2 HIS A 47 -3.607 13.240 -1.777 1.00 0.00 C ATOM 793 CE1 HIS A 47 -1.879 13.499 -0.452 1.00 0.00 C ATOM 794 NE2 HIS A 47 -2.272 13.553 -1.711 1.00 0.00 N ATOM 0 H HIS A 47 -3.774 10.160 -0.060 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.565 10.884 0.492 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -6.138 13.137 -0.540 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.448 12.928 1.057 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.212 13.199 -2.670 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.880 13.697 -0.093 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.679 13.789 -2.507 1.00 0.00 H new ATOM 803 N ALA A 48 -6.858 11.248 -2.153 1.00 0.00 N ATOM 804 CA ALA A 48 -7.152 10.932 -3.546 1.00 0.00 C ATOM 805 C ALA A 48 -6.128 11.567 -4.481 1.00 0.00 C ATOM 806 O ALA A 48 -5.705 12.705 -4.273 1.00 0.00 O ATOM 807 CB ALA A 48 -8.556 11.393 -3.907 1.00 0.00 C ATOM 0 H ALA A 48 -7.492 11.927 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.094 9.850 -3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.762 11.151 -4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.280 10.889 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.633 12.471 -3.763 1.00 0.00 H new ATOM 813 N LEU A 49 -5.736 10.827 -5.513 1.00 0.00 N ATOM 814 CA LEU A 49 -4.764 11.319 -6.481 1.00 0.00 C ATOM 815 C LEU A 49 -5.457 12.048 -7.627 1.00 0.00 C ATOM 816 O LEU A 49 -6.686 12.069 -7.709 1.00 0.00 O ATOM 817 CB LEU A 49 -3.929 10.159 -7.029 1.00 0.00 C ATOM 818 CG LEU A 49 -3.215 9.317 -5.969 1.00 0.00 C ATOM 819 CD1 LEU A 49 -3.404 7.832 -6.248 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.735 9.665 -5.916 1.00 0.00 C ATOM 0 H LEU A 49 -6.077 9.884 -5.700 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.106 12.024 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.579 9.507 -7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.183 10.561 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.656 9.544 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.889 7.250 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.467 7.591 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.991 7.590 -7.227 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.245 9.056 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.280 9.469 -6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.618 10.720 -5.666 1.00 0.00 H new ATOM 832 N LYS A 50 -4.664 12.645 -8.510 1.00 0.00 N ATOM 833 CA LYS A 50 -5.203 13.375 -9.652 1.00 0.00 C ATOM 834 C LYS A 50 -4.936 12.626 -10.953 1.00 0.00 C ATOM 835 O LYS A 50 -4.111 11.713 -10.998 1.00 0.00 O ATOM 836 CB LYS A 50 -4.592 14.775 -9.724 1.00 0.00 C ATOM 837 CG LYS A 50 -4.694 15.551 -8.420 1.00 0.00 C ATOM 838 CD LYS A 50 -4.405 17.028 -8.628 1.00 0.00 C ATOM 839 CE LYS A 50 -5.683 17.819 -8.852 1.00 0.00 C ATOM 840 NZ LYS A 50 -6.307 17.508 -10.168 1.00 0.00 N ATOM 0 H LYS A 50 -3.645 12.638 -8.457 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.281 13.462 -9.518 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.542 14.690 -10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.089 15.339 -10.513 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.693 15.430 -8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.992 15.140 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.879 17.423 -7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.743 17.153 -9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.391 17.598 -8.053 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.464 18.885 -8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.992 18.251 -10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.570 17.464 -10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.795 16.591 -10.113 1.00 0.00 H new ATOM 854 N GLY A 51 -5.641 13.017 -12.011 1.00 0.00 N ATOM 855 CA GLY A 51 -5.465 12.372 -13.298 1.00 0.00 C ATOM 856 C GLY A 51 -6.228 11.066 -13.402 1.00 0.00 C ATOM 857 O GLY A 51 -7.355 10.957 -12.919 1.00 0.00 O ATOM 0 H GLY A 51 -6.330 13.769 -11.999 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.797 13.047 -14.087 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.404 12.184 -13.464 1.00 0.00 H new ATOM 861 N LYS A 52 -5.614 10.074 -14.037 1.00 0.00 N ATOM 862 CA LYS A 52 -6.241 8.768 -14.205 1.00 0.00 C ATOM 863 C LYS A 52 -6.247 7.981 -12.895 1.00 0.00 C ATOM 864 O LYS A 52 -6.871 6.923 -12.802 1.00 0.00 O ATOM 865 CB LYS A 52 -5.515 7.969 -15.289 1.00 0.00 C ATOM 866 CG LYS A 52 -6.449 7.168 -16.182 1.00 0.00 C ATOM 867 CD LYS A 52 -7.145 6.060 -15.410 1.00 0.00 C ATOM 868 CE LYS A 52 -7.800 5.056 -16.345 1.00 0.00 C ATOM 869 NZ LYS A 52 -9.007 4.433 -15.735 1.00 0.00 N ATOM 0 H LYS A 52 -4.682 10.149 -14.444 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.275 8.931 -14.508 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.934 8.654 -15.906 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.807 7.289 -14.815 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.195 7.832 -16.619 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.883 6.737 -17.008 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.422 5.549 -14.774 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.899 6.492 -14.752 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.079 5.554 -17.274 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.081 4.278 -16.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.424 3.755 -16.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.738 3.936 -14.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.704 5.172 -15.512 1.00 0.00 H new ATOM 883 N TRP A 53 -5.552 8.496 -11.883 1.00 0.00 N ATOM 884 CA TRP A 53 -5.485 7.832 -10.587 1.00 0.00 C ATOM 885 C TRP A 53 -6.510 8.411 -9.617 1.00 0.00 C ATOM 886 O TRP A 53 -6.324 8.362 -8.401 1.00 0.00 O ATOM 887 CB TRP A 53 -4.079 7.962 -9.995 1.00 0.00 C ATOM 888 CG TRP A 53 -3.012 7.368 -10.864 1.00 0.00 C ATOM 889 CD1 TRP A 53 -2.461 6.124 -10.747 1.00 0.00 C ATOM 890 CD2 TRP A 53 -2.367 7.992 -11.979 1.00 0.00 C ATOM 891 NE1 TRP A 53 -1.511 5.937 -11.724 1.00 0.00 N ATOM 892 CE2 TRP A 53 -1.435 7.070 -12.492 1.00 0.00 C ATOM 893 CE3 TRP A 53 -2.486 9.242 -12.594 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -0.629 7.357 -13.591 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -1.685 9.526 -13.685 1.00 0.00 C ATOM 896 CH2 TRP A 53 -0.767 8.587 -14.173 1.00 0.00 C ATOM 0 H TRP A 53 -5.029 9.370 -11.937 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.715 6.778 -10.740 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.858 9.017 -9.830 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.056 7.475 -9.020 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.731 5.395 -9.998 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.954 5.093 -11.856 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.190 9.972 -12.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.079 6.635 -13.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.769 10.488 -14.169 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.155 8.840 -15.027 1.00 0.00 H new ATOM 907 N LYS A 54 -7.594 8.958 -10.159 1.00 0.00 N ATOM 908 CA LYS A 54 -8.646 9.543 -9.333 1.00 0.00 C ATOM 909 C LYS A 54 -9.482 8.457 -8.662 1.00 0.00 C ATOM 910 O LYS A 54 -9.709 8.498 -7.452 1.00 0.00 O ATOM 911 CB LYS A 54 -9.545 10.451 -10.176 1.00 0.00 C ATOM 912 CG LYS A 54 -9.999 11.705 -9.446 1.00 0.00 C ATOM 913 CD LYS A 54 -8.968 12.817 -9.552 1.00 0.00 C ATOM 914 CE LYS A 54 -9.095 13.808 -8.406 1.00 0.00 C ATOM 915 NZ LYS A 54 -9.028 15.218 -8.879 1.00 0.00 N ATOM 0 H LYS A 54 -7.767 9.009 -11.163 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.170 10.140 -8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.009 10.741 -11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.422 9.887 -10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.947 12.046 -9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.177 11.472 -8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.967 12.387 -9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.091 13.339 -10.501 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.040 13.644 -7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.299 13.630 -7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.914 15.853 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.218 15.331 -9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.906 15.457 -9.383 1.00 0.00 H new ATOM 929 N PRO A 55 -9.952 7.462 -9.437 1.00 0.00 N ATOM 930 CA PRO A 55 -10.762 6.363 -8.900 1.00 0.00 C ATOM 931 C PRO A 55 -10.057 5.618 -7.770 1.00 0.00 C ATOM 932 O PRO A 55 -10.690 4.898 -7.000 1.00 0.00 O ATOM 933 CB PRO A 55 -10.962 5.436 -10.105 1.00 0.00 C ATOM 934 CG PRO A 55 -10.756 6.306 -11.296 1.00 0.00 C ATOM 935 CD PRO A 55 -9.731 7.326 -10.889 1.00 0.00 C ATOM 0 HA PRO A 55 -11.694 6.725 -8.466 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.250 4.611 -10.091 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.960 4.997 -10.104 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.410 5.724 -12.150 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.688 6.786 -11.595 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.718 6.991 -11.113 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.876 8.273 -11.409 1.00 0.00 H new ATOM 943 N PHE A 56 -8.740 5.795 -7.675 1.00 0.00 N ATOM 944 CA PHE A 56 -7.955 5.134 -6.638 1.00 0.00 C ATOM 945 C PHE A 56 -7.450 6.141 -5.609 1.00 0.00 C ATOM 946 O PHE A 56 -7.628 7.349 -5.768 1.00 0.00 O ATOM 947 CB PHE A 56 -6.771 4.389 -7.259 1.00 0.00 C ATOM 948 CG PHE A 56 -7.131 3.607 -8.490 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.167 4.221 -9.732 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.433 2.257 -8.406 1.00 0.00 C ATOM 951 CE1 PHE A 56 -7.498 3.505 -10.865 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.763 1.535 -9.536 1.00 0.00 C ATOM 953 CZ PHE A 56 -7.796 2.159 -10.768 1.00 0.00 C ATOM 0 H PHE A 56 -8.197 6.389 -8.302 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.603 4.418 -6.132 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.992 5.108 -7.511 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.351 3.710 -6.517 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.933 5.272 -9.814 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.410 1.764 -7.445 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.524 3.996 -11.826 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.995 0.483 -9.457 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.054 1.596 -11.653 1.00 0.00 H new ATOM 963 N ARG A 57 -6.818 5.635 -4.554 1.00 0.00 N ATOM 964 CA ARG A 57 -6.285 6.488 -3.499 1.00 0.00 C ATOM 965 C ARG A 57 -4.841 6.115 -3.178 1.00 0.00 C ATOM 966 O ARG A 57 -4.421 4.980 -3.396 1.00 0.00 O ATOM 967 CB ARG A 57 -7.146 6.374 -2.239 1.00 0.00 C ATOM 968 CG ARG A 57 -6.747 7.346 -1.140 1.00 0.00 C ATOM 969 CD ARG A 57 -7.753 7.339 0.001 1.00 0.00 C ATOM 970 NE ARG A 57 -9.020 7.955 -0.383 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.162 7.772 0.274 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.201 6.994 1.349 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.271 8.369 -0.143 1.00 0.00 N ATOM 0 H ARG A 57 -6.663 4.638 -4.408 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.306 7.519 -3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.189 6.547 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.080 5.356 -1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.761 7.081 -0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.670 8.352 -1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.931 6.312 0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.335 7.871 0.856 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.030 8.561 -1.203 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.352 6.532 1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.080 6.858 1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.248 8.969 -0.968 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.146 8.228 0.361 1.00 0.00 H new ATOM 987 N GLU A 58 -4.086 7.079 -2.660 1.00 0.00 N ATOM 988 CA GLU A 58 -2.688 6.850 -2.311 1.00 0.00 C ATOM 989 C GLU A 58 -2.516 6.731 -0.800 1.00 0.00 C ATOM 990 O GLU A 58 -3.442 7.006 -0.036 1.00 0.00 O ATOM 991 CB GLU A 58 -1.812 7.984 -2.850 1.00 0.00 C ATOM 992 CG GLU A 58 -0.517 7.503 -3.487 1.00 0.00 C ATOM 993 CD GLU A 58 0.474 8.627 -3.715 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.035 9.794 -3.815 1.00 0.00 O ATOM 995 OE2 GLU A 58 1.687 8.344 -3.794 1.00 0.00 O ATOM 0 H GLU A 58 -4.418 8.025 -2.473 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.375 5.911 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.380 8.552 -3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.574 8.667 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.062 6.746 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.742 7.023 -4.439 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.324 6.321 -0.377 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.028 6.165 1.043 1.00 0.00 C ATOM 1004 C CYS A 59 0.468 5.963 1.264 1.00 0.00 C ATOM 1005 O CYS A 59 1.045 4.978 0.804 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.806 4.982 1.621 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.125 5.107 3.396 1.00 0.00 S ATOM 0 H CYS A 59 -0.548 6.091 -0.997 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.335 7.076 1.557 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.758 4.895 1.097 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.250 4.065 1.426 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.267 4.376 4.044 1.00 0.00 H new ATOM 1013 N HIS A 60 1.090 6.902 1.969 1.00 0.00 N ATOM 1014 CA HIS A 60 2.519 6.825 2.248 1.00 0.00 C ATOM 1015 C HIS A 60 2.776 6.194 3.612 1.00 0.00 C ATOM 1016 O HIS A 60 2.867 6.892 4.623 1.00 0.00 O ATOM 1017 CB HIS A 60 3.149 8.218 2.190 1.00 0.00 C ATOM 1018 CG HIS A 60 2.912 8.934 0.897 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.640 10.036 0.501 1.00 0.00 N ATOM 1020 CD2 HIS A 60 2.020 8.698 -0.097 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.207 10.449 -0.677 1.00 0.00 C ATOM 1022 NE2 HIS A 60 2.226 9.654 -1.061 1.00 0.00 N ATOM 0 H HIS A 60 0.628 7.724 2.357 1.00 0.00 H new ATOM 0 HA HIS A 60 2.977 6.195 1.485 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.752 8.821 3.007 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.223 8.128 2.353 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.396 10.466 1.035 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.286 7.907 -0.125 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.590 11.293 -1.231 1.00 0.00 H new ATOM 1031 N ILE A 61 2.897 4.871 3.634 1.00 0.00 N ATOM 1032 CA ILE A 61 3.149 4.146 4.874 1.00 0.00 C ATOM 1033 C ILE A 61 4.527 4.485 5.432 1.00 0.00 C ATOM 1034 O ILE A 61 4.743 4.456 6.644 1.00 0.00 O ATOM 1035 CB ILE A 61 3.051 2.622 4.665 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.729 2.262 3.986 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.186 1.894 5.994 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.841 2.111 2.484 1.00 0.00 C ATOM 0 H ILE A 61 2.825 4.279 2.807 1.00 0.00 H new ATOM 0 HA ILE A 61 2.383 4.455 5.585 1.00 0.00 H new ATOM 0 HB ILE A 61 3.868 2.307 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.355 1.330 4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.992 3.033 4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.115 0.819 5.829 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.152 2.129 6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.388 2.212 6.666 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.865 1.855 2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.185 3.049 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.553 1.319 2.250 1.00 0.00 H new ATOM 1050 N LYS A 62 5.458 4.805 4.538 1.00 0.00 N ATOM 1051 CA LYS A 62 6.817 5.151 4.936 1.00 0.00 C ATOM 1052 C LYS A 62 7.318 6.362 4.155 1.00 0.00 C ATOM 1053 O LYS A 62 6.663 6.817 3.217 1.00 0.00 O ATOM 1054 CB LYS A 62 7.750 3.958 4.711 1.00 0.00 C ATOM 1055 CG LYS A 62 7.818 3.006 5.894 1.00 0.00 C ATOM 1056 CD LYS A 62 8.974 2.027 5.756 1.00 0.00 C ATOM 1057 CE LYS A 62 9.624 1.742 7.099 1.00 0.00 C ATOM 1058 NZ LYS A 62 11.056 1.360 6.953 1.00 0.00 N ATOM 0 H LYS A 62 5.295 4.832 3.531 1.00 0.00 H new ATOM 0 HA LYS A 62 6.811 5.404 5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.416 3.408 3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.752 4.327 4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.931 3.577 6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.881 2.455 5.973 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.613 1.095 5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.717 2.434 5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.547 2.624 7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.084 0.939 7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.595 1.717 7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.136 0.324 6.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.438 1.772 6.077 1.00 0.00 H new ATOM 1072 N PRO A 63 8.490 6.904 4.530 1.00 0.00 N ATOM 1073 CA PRO A 63 9.075 8.070 3.857 1.00 0.00 C ATOM 1074 C PRO A 63 9.534 7.766 2.434 1.00 0.00 C ATOM 1075 O PRO A 63 9.992 8.656 1.716 1.00 0.00 O ATOM 1076 CB PRO A 63 10.277 8.445 4.739 1.00 0.00 C ATOM 1077 CG PRO A 63 10.105 7.671 6.004 1.00 0.00 C ATOM 1078 CD PRO A 63 9.337 6.436 5.635 1.00 0.00 C ATOM 0 HA PRO A 63 8.344 8.871 3.751 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.217 8.191 4.249 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.300 9.517 4.936 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.071 7.414 6.438 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.567 8.257 6.749 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.997 5.626 5.325 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.744 6.063 6.470 1.00 0.00 H new ATOM 1086 N ASP A 64 9.407 6.509 2.030 1.00 0.00 N ATOM 1087 CA ASP A 64 9.805 6.088 0.691 1.00 0.00 C ATOM 1088 C ASP A 64 8.905 4.965 0.187 1.00 0.00 C ATOM 1089 O ASP A 64 9.337 4.112 -0.590 1.00 0.00 O ATOM 1090 CB ASP A 64 11.264 5.630 0.691 1.00 0.00 C ATOM 1091 CG ASP A 64 11.549 4.604 1.771 1.00 0.00 C ATOM 1092 OD1 ASP A 64 11.780 5.011 2.930 1.00 0.00 O ATOM 1093 OD2 ASP A 64 11.541 3.395 1.459 1.00 0.00 O ATOM 0 H ASP A 64 9.030 5.760 2.611 1.00 0.00 H new ATOM 0 HA ASP A 64 9.701 6.941 0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.509 5.206 -0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.913 6.494 0.834 1.00 0.00 H new ATOM 1098 N VAL A 65 7.653 4.970 0.634 1.00 0.00 N ATOM 1099 CA VAL A 65 6.691 3.954 0.227 1.00 0.00 C ATOM 1100 C VAL A 65 5.324 4.568 -0.056 1.00 0.00 C ATOM 1101 O VAL A 65 4.906 5.511 0.614 1.00 0.00 O ATOM 1102 CB VAL A 65 6.541 2.861 1.305 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.549 1.794 0.861 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.892 2.241 1.621 1.00 0.00 C ATOM 0 H VAL A 65 7.282 5.668 1.279 1.00 0.00 H new ATOM 0 HA VAL A 65 7.076 3.503 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 65 6.153 3.325 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.460 1.034 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.575 2.252 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.901 1.331 -0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.770 1.472 2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.308 1.794 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.569 3.012 1.989 1.00 0.00 H new ATOM 1114 N LEU A 66 4.637 4.022 -1.053 1.00 0.00 N ATOM 1115 CA LEU A 66 3.314 4.512 -1.432 1.00 0.00 C ATOM 1116 C LEU A 66 2.462 3.383 -2.002 1.00 0.00 C ATOM 1117 O LEU A 66 2.705 2.912 -3.112 1.00 0.00 O ATOM 1118 CB LEU A 66 3.431 5.637 -2.465 1.00 0.00 C ATOM 1119 CG LEU A 66 4.722 6.459 -2.404 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.967 7.165 -3.728 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.660 7.466 -1.266 1.00 0.00 C ATOM 0 H LEU A 66 4.973 3.240 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 66 2.832 4.900 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.345 5.202 -3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.585 6.312 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 66 5.554 5.780 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.888 7.744 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.056 6.425 -4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.133 7.832 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.586 8.041 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.818 8.141 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.531 6.939 -0.321 1.00 0.00 H new ATOM 1133 N LEU A 67 1.462 2.951 -1.238 1.00 0.00 N ATOM 1134 CA LEU A 67 0.580 1.875 -1.677 1.00 0.00 C ATOM 1135 C LEU A 67 -0.810 2.411 -2.017 1.00 0.00 C ATOM 1136 O LEU A 67 -1.392 3.188 -1.261 1.00 0.00 O ATOM 1137 CB LEU A 67 0.502 0.779 -0.601 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.886 0.510 -0.006 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -1.731 -0.315 -0.969 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.757 -0.198 1.335 1.00 0.00 C ATOM 0 H LEU A 67 1.243 3.328 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 67 0.995 1.437 -2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.876 -0.150 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.177 1.048 0.212 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.386 1.465 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.712 -0.496 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.848 0.228 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.238 -1.268 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.750 -0.383 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.239 -1.147 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.190 0.428 2.024 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.333 1.982 -3.161 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.652 2.404 -3.612 1.00 0.00 C ATOM 1154 C VAL A 68 -3.715 1.392 -3.194 1.00 0.00 C ATOM 1155 O VAL A 68 -3.484 0.185 -3.238 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.683 2.576 -5.147 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -4.084 2.926 -5.628 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.681 3.635 -5.583 1.00 0.00 C ATOM 0 H VAL A 68 -0.859 1.339 -3.795 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.868 3.365 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.401 1.627 -5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.078 3.042 -6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.773 2.128 -5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.405 3.859 -5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.715 3.744 -6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.931 4.587 -5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.678 3.334 -5.280 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.879 1.893 -2.791 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.976 1.028 -2.367 1.00 0.00 C ATOM 1170 C TYR A 69 -7.323 1.632 -2.747 1.00 0.00 C ATOM 1171 O TYR A 69 -7.404 2.795 -3.142 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.914 0.793 -0.857 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.112 2.048 -0.038 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -5.206 3.099 -0.114 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -7.203 2.182 0.813 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -5.382 4.248 0.635 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -7.386 3.327 1.564 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.474 4.356 1.472 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.653 5.499 2.219 1.00 0.00 O ATOM 0 H TYR A 69 -5.087 2.891 -2.749 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.871 0.072 -2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.676 0.065 -0.580 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.948 0.354 -0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.351 3.017 -0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.920 1.377 0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.669 5.056 0.565 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.239 3.415 2.220 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.470 5.415 2.754 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.379 0.833 -2.628 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.724 1.288 -2.963 1.00 0.00 C ATOM 1191 C LEU A 70 -10.680 1.073 -1.793 1.00 0.00 C ATOM 1192 O LEU A 70 -10.276 0.607 -0.727 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.239 0.552 -4.203 1.00 0.00 C ATOM 1194 CG LEU A 70 -10.735 1.456 -5.333 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -9.573 1.907 -6.204 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.781 0.735 -6.170 1.00 0.00 C ATOM 0 H LEU A 70 -8.329 -0.132 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.677 2.356 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.440 -0.081 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.053 -0.109 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.196 2.339 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.945 2.549 -7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.857 2.461 -5.597 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.084 1.035 -6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.123 1.392 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.344 -0.165 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.626 0.461 -5.539 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.947 1.415 -2.001 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.961 1.257 -0.965 1.00 0.00 C ATOM 1210 C VAL A 71 -14.170 0.491 -1.493 1.00 0.00 C ATOM 1211 O VAL A 71 -14.869 0.960 -2.391 1.00 0.00 O ATOM 1212 CB VAL A 71 -13.429 2.622 -0.423 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -14.370 2.436 0.758 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -12.236 3.481 -0.032 1.00 0.00 C ATOM 0 H VAL A 71 -12.296 1.803 -2.877 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.500 0.692 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.974 3.136 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.689 3.411 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.242 1.864 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.854 1.899 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.587 4.440 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.660 2.973 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.605 3.646 -0.905 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.409 -0.688 -0.928 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.534 -1.519 -1.342 1.00 0.00 C ATOM 1226 C LYS A 72 -16.706 -1.366 -0.378 1.00 0.00 C ATOM 1227 O LYS A 72 -16.640 -0.594 0.578 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.108 -2.987 -1.418 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.682 -3.725 -2.618 1.00 0.00 C ATOM 1230 CD LYS A 72 -14.589 -4.392 -3.440 1.00 0.00 C ATOM 1231 CE LYS A 72 -15.121 -4.888 -4.774 1.00 0.00 C ATOM 1232 NZ LYS A 72 -14.940 -3.877 -5.854 1.00 0.00 N ATOM 0 H LYS A 72 -13.839 -1.089 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.855 -1.189 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.020 -3.040 -1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.420 -3.495 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.393 -4.478 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.235 -3.026 -3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.778 -3.685 -3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.170 -5.228 -2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.608 -5.810 -5.050 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.179 -5.129 -4.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.315 -4.253 -6.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.450 -3.006 -5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.928 -3.665 -5.965 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.781 -2.104 -0.637 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.969 -2.049 0.206 1.00 0.00 C ATOM 1248 C ASP A 73 -18.674 -2.602 1.597 1.00 0.00 C ATOM 1249 O ASP A 73 -18.588 -3.815 1.789 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.114 -2.836 -0.435 1.00 0.00 C ATOM 1251 CG ASP A 73 -19.686 -4.219 -0.883 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -18.914 -4.315 -1.861 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -20.122 -5.208 -0.256 1.00 0.00 O ATOM 0 H ASP A 73 -17.853 -2.748 -1.425 1.00 0.00 H new ATOM 0 HA ASP A 73 -19.266 -1.005 0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.933 -2.926 0.278 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.497 -2.282 -1.292 1.00 0.00 H new ATOM 1258 N ASP A 74 -18.522 -1.703 2.565 1.00 0.00 N ATOM 1259 CA ASP A 74 -18.237 -2.099 3.940 1.00 0.00 C ATOM 1260 C ASP A 74 -16.971 -2.950 4.017 1.00 0.00 C ATOM 1261 O ASP A 74 -16.780 -3.713 4.963 1.00 0.00 O ATOM 1262 CB ASP A 74 -19.419 -2.875 4.524 1.00 0.00 C ATOM 1263 CG ASP A 74 -20.490 -1.961 5.085 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -20.132 -0.924 5.681 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -21.687 -2.282 4.929 1.00 0.00 O ATOM 0 H ASP A 74 -18.591 -0.695 2.422 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.078 -1.192 4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.854 -3.507 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -19.061 -3.538 5.312 1.00 0.00 H new ATOM 1270 N GLU A 75 -16.108 -2.814 3.014 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.862 -3.569 2.967 1.00 0.00 C ATOM 1272 C GLU A 75 -13.819 -2.842 2.124 1.00 0.00 C ATOM 1273 O GLU A 75 -14.125 -2.332 1.048 1.00 0.00 O ATOM 1274 CB GLU A 75 -15.109 -4.968 2.398 1.00 0.00 C ATOM 1275 CG GLU A 75 -16.048 -5.813 3.244 1.00 0.00 C ATOM 1276 CD GLU A 75 -16.252 -7.204 2.675 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -16.725 -7.311 1.524 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -15.938 -8.186 3.381 1.00 0.00 O ATOM 0 H GLU A 75 -16.250 -2.187 2.222 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.483 -3.661 3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.523 -4.875 1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.155 -5.486 2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.648 -5.893 4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.012 -5.311 3.322 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.587 -2.799 2.620 1.00 0.00 N ATOM 1286 CA LEU A 76 -11.501 -2.133 1.909 1.00 0.00 C ATOM 1287 C LEU A 76 -10.724 -3.126 1.050 1.00 0.00 C ATOM 1288 O LEU A 76 -10.697 -4.323 1.340 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.558 -1.448 2.898 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.771 -0.266 2.332 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -10.600 1.008 2.400 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -8.457 -0.092 3.078 1.00 0.00 C ATOM 0 H LEU A 76 -12.316 -3.217 3.510 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.938 -1.378 1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.141 -1.101 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.852 -2.188 3.274 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.545 -0.472 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.024 1.839 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.513 0.880 1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.858 1.219 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.911 0.754 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.659 0.091 4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.858 -0.997 2.975 1.00 0.00 H new ATOM 1304 N ILE A 77 -10.093 -2.625 -0.006 1.00 0.00 N ATOM 1305 CA ILE A 77 -9.318 -3.470 -0.905 1.00 0.00 C ATOM 1306 C ILE A 77 -8.007 -2.797 -1.305 1.00 0.00 C ATOM 1307 O ILE A 77 -7.990 -1.624 -1.680 1.00 0.00 O ATOM 1308 CB ILE A 77 -10.117 -3.822 -2.177 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.304 -2.583 -3.058 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.467 -4.419 -1.806 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.335 -2.517 -4.219 1.00 0.00 C ATOM 0 H ILE A 77 -10.103 -1.637 -0.260 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.096 -4.388 -0.361 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.553 -4.563 -2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.323 -2.572 -3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.186 -1.690 -2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -12.019 -4.662 -2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.315 -5.325 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.035 -3.698 -1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.524 -1.615 -4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.313 -2.496 -3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.468 -3.392 -4.855 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.913 -3.547 -1.228 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.601 -3.022 -1.589 1.00 0.00 C ATOM 1325 C LEU A 78 -5.405 -3.063 -3.101 1.00 0.00 C ATOM 1326 O LEU A 78 -5.838 -4.003 -3.766 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.498 -3.822 -0.895 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.428 -3.644 0.623 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -3.250 -4.416 1.198 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.327 -2.169 0.983 1.00 0.00 C ATOM 0 H LEU A 78 -6.908 -4.519 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.544 -1.985 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.643 -4.880 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.538 -3.536 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.344 -4.042 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.217 -4.277 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.364 -5.476 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.324 -4.049 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.278 -2.061 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.428 -1.746 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.203 -1.641 0.605 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.756 -2.035 -3.640 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.515 -1.959 -5.078 1.00 0.00 C ATOM 1344 C LEU A 79 -3.095 -2.400 -5.426 1.00 0.00 C ATOM 1345 O LEU A 79 -2.895 -3.465 -6.009 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.765 -0.534 -5.582 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.794 -0.419 -6.710 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.448 -1.367 -7.849 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.192 -0.703 -6.183 1.00 0.00 C ATOM 0 H LEU A 79 -4.389 -1.247 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.209 -2.639 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.097 0.079 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.820 -0.116 -5.928 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.771 0.600 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.191 -1.271 -8.641 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.463 -1.118 -8.243 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.442 -2.393 -7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.912 -0.617 -6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.228 -1.712 -5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.440 0.016 -5.402 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.112 -1.576 -5.073 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.717 -1.895 -5.365 1.00 0.00 C ATOM 1363 C ARG A 80 0.235 -1.151 -4.430 1.00 0.00 C ATOM 1364 O ARG A 80 -0.135 -0.157 -3.810 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.393 -1.549 -6.818 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.711 -0.108 -7.186 1.00 0.00 C ATOM 1367 CD ARG A 80 -1.928 -0.019 -8.094 1.00 0.00 C ATOM 1368 NE ARG A 80 -2.290 1.364 -8.394 1.00 0.00 N ATOM 1369 CZ ARG A 80 -3.245 1.708 -9.255 1.00 0.00 C ATOM 1370 NH1 ARG A 80 -3.936 0.777 -9.900 1.00 0.00 N ATOM 1371 NH2 ARG A 80 -3.512 2.990 -9.471 1.00 0.00 N ATOM 0 H ARG A 80 -2.253 -0.690 -4.588 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.579 -2.964 -5.206 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.665 -1.737 -7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.953 -2.215 -7.475 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.890 0.469 -6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.149 0.340 -7.684 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.725 -0.550 -9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.772 -0.519 -7.619 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.782 2.109 -7.916 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.737 -0.210 -9.738 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.666 1.048 -10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.986 3.711 -8.977 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.244 3.254 -10.131 1.00 0.00 H new ATOM 1385 N LEU A 81 1.466 -1.647 -4.340 1.00 0.00 N ATOM 1386 CA LEU A 81 2.483 -1.040 -3.487 1.00 0.00 C ATOM 1387 C LEU A 81 3.599 -0.431 -4.333 1.00 0.00 C ATOM 1388 O LEU A 81 4.197 -1.108 -5.167 1.00 0.00 O ATOM 1389 CB LEU A 81 3.062 -2.089 -2.529 1.00 0.00 C ATOM 1390 CG LEU A 81 3.980 -1.552 -1.426 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.308 -1.093 -2.007 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.307 -0.416 -0.667 1.00 0.00 C ATOM 0 H LEU A 81 1.784 -2.471 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 81 2.017 -0.246 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.234 -2.621 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.619 -2.820 -3.115 1.00 0.00 H new ATOM 0 HG LEU A 81 4.175 -2.363 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.944 -0.716 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.801 -1.933 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.132 -0.301 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.977 -0.051 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.075 0.396 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.386 -0.779 -0.211 1.00 0.00 H new ATOM 1404 N GLY A 82 3.871 0.851 -4.112 1.00 0.00 N ATOM 1405 CA GLY A 82 4.913 1.527 -4.864 1.00 0.00 C ATOM 1406 C GLY A 82 5.791 2.400 -3.990 1.00 0.00 C ATOM 1407 O GLY A 82 5.819 2.241 -2.769 1.00 0.00 O ATOM 0 H GLY A 82 3.390 1.433 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.532 0.785 -5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.456 2.140 -5.640 1.00 0.00 H new ATOM 1411 N SER A 83 6.512 3.325 -4.617 1.00 0.00 N ATOM 1412 CA SER A 83 7.397 4.227 -3.889 1.00 0.00 C ATOM 1413 C SER A 83 7.528 5.562 -4.615 1.00 0.00 C ATOM 1414 O SER A 83 6.900 5.783 -5.648 1.00 0.00 O ATOM 1415 CB SER A 83 8.777 3.589 -3.715 1.00 0.00 C ATOM 1416 OG SER A 83 9.192 2.938 -4.903 1.00 0.00 O ATOM 0 H SER A 83 6.500 3.469 -5.627 1.00 0.00 H new ATOM 0 HA SER A 83 6.963 4.410 -2.906 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.503 4.355 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.749 2.872 -2.895 1.00 0.00 H new ATOM 0 HG SER A 83 10.077 2.540 -4.766 1.00 0.00 H new ATOM 1422 N HIS A 84 8.351 6.450 -4.064 1.00 0.00 N ATOM 1423 CA HIS A 84 8.567 7.766 -4.658 1.00 0.00 C ATOM 1424 C HIS A 84 9.283 7.649 -6.001 1.00 0.00 C ATOM 1425 O HIS A 84 9.120 8.499 -6.877 1.00 0.00 O ATOM 1426 CB HIS A 84 9.383 8.647 -3.709 1.00 0.00 C ATOM 1427 CG HIS A 84 9.037 10.101 -3.797 1.00 0.00 C ATOM 1428 ND1 HIS A 84 9.816 11.094 -3.240 1.00 0.00 N ATOM 1429 CD2 HIS A 84 7.990 10.730 -4.379 1.00 0.00 C ATOM 1430 CE1 HIS A 84 9.262 12.270 -3.477 1.00 0.00 C ATOM 1431 NE2 HIS A 84 8.154 12.077 -4.166 1.00 0.00 N ATOM 0 H HIS A 84 8.879 6.282 -3.208 1.00 0.00 H new ATOM 0 HA HIS A 84 7.593 8.225 -4.826 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.227 8.306 -2.685 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.443 8.520 -3.929 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.177 10.260 -4.912 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.650 13.227 -3.160 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.521 12.809 -4.488 1.00 0.00 H new ATOM 1440 N SER A 85 10.075 6.594 -6.156 1.00 0.00 N ATOM 1441 CA SER A 85 10.815 6.369 -7.392 1.00 0.00 C ATOM 1442 C SER A 85 9.976 5.594 -8.404 1.00 0.00 C ATOM 1443 O SER A 85 10.197 5.688 -9.612 1.00 0.00 O ATOM 1444 CB SER A 85 12.112 5.613 -7.102 1.00 0.00 C ATOM 1445 OG SER A 85 13.197 6.508 -6.925 1.00 0.00 O ATOM 0 H SER A 85 10.221 5.881 -5.441 1.00 0.00 H new ATOM 0 HA SER A 85 11.055 7.342 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.989 5.004 -6.206 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.330 4.931 -7.924 1.00 0.00 H new ATOM 0 HG SER A 85 14.014 5.999 -6.739 1.00 0.00 H new ATOM 1451 N GLU A 86 9.010 4.827 -7.906 1.00 0.00 N ATOM 1452 CA GLU A 86 8.141 4.035 -8.770 1.00 0.00 C ATOM 1453 C GLU A 86 6.967 4.870 -9.274 1.00 0.00 C ATOM 1454 O GLU A 86 6.924 5.258 -10.442 1.00 0.00 O ATOM 1455 CB GLU A 86 7.628 2.803 -8.022 1.00 0.00 C ATOM 1456 CG GLU A 86 7.878 1.497 -8.759 1.00 0.00 C ATOM 1457 CD GLU A 86 6.603 0.881 -9.304 1.00 0.00 C ATOM 1458 OE1 GLU A 86 5.539 1.062 -8.674 1.00 0.00 O ATOM 1459 OE2 GLU A 86 6.667 0.217 -10.359 1.00 0.00 O ATOM 0 H GLU A 86 8.810 4.737 -6.910 1.00 0.00 H new ATOM 0 HA GLU A 86 8.725 3.709 -9.631 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.107 2.756 -7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.558 2.913 -7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.571 1.675 -9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.359 0.789 -8.084 1.00 0.00 H new ATOM 1466 N LEU A 87 6.015 5.140 -8.388 1.00 0.00 N ATOM 1467 CA LEU A 87 4.840 5.928 -8.744 1.00 0.00 C ATOM 1468 C LEU A 87 5.239 7.331 -9.187 1.00 0.00 C ATOM 1469 O LEU A 87 4.688 7.869 -10.148 1.00 0.00 O ATOM 1470 CB LEU A 87 3.876 6.010 -7.560 1.00 0.00 C ATOM 1471 CG LEU A 87 3.576 4.677 -6.871 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.533 4.862 -5.781 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.108 3.646 -7.888 1.00 0.00 C ATOM 0 H LEU A 87 6.033 4.825 -7.418 1.00 0.00 H new ATOM 0 HA LEU A 87 4.341 5.432 -9.576 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.290 6.697 -6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.937 6.441 -7.906 1.00 0.00 H new ATOM 0 HG LEU A 87 4.494 4.314 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.333 3.903 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.904 5.568 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.613 5.248 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.899 2.704 -7.381 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.202 4.003 -8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.887 3.491 -8.634 1.00 0.00 H new ATOM 1485 N PHE A 88 6.200 7.919 -8.484 1.00 0.00 N ATOM 1486 CA PHE A 88 6.671 9.261 -8.806 1.00 0.00 C ATOM 1487 C PHE A 88 7.987 9.205 -9.575 1.00 0.00 C ATOM 1488 O PHE A 88 8.270 8.152 -10.186 1.00 0.00 O ATOM 1489 CB PHE A 88 6.850 10.082 -7.528 1.00 0.00 C ATOM 1490 CG PHE A 88 5.625 10.858 -7.136 1.00 0.00 C ATOM 1491 CD1 PHE A 88 5.376 12.107 -7.683 1.00 0.00 C ATOM 1492 CD2 PHE A 88 4.723 10.340 -6.221 1.00 0.00 C ATOM 1493 CE1 PHE A 88 4.250 12.824 -7.325 1.00 0.00 C ATOM 1494 CE2 PHE A 88 3.595 11.051 -5.858 1.00 0.00 C ATOM 1495 CZ PHE A 88 3.358 12.295 -6.412 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.721 10.214 -9.564 1.00 0.00 O ATOM 0 H PHE A 88 6.668 7.488 -7.687 1.00 0.00 H new ATOM 0 HA PHE A 88 5.922 9.740 -9.436 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.123 9.413 -6.712 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.681 10.775 -7.664 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.070 12.525 -8.397 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.904 9.368 -5.786 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.068 13.796 -7.758 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.900 10.636 -5.143 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.477 12.853 -6.132 1.00 0.00 H new