USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, 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 8 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Set 1.2: A 9 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Set 2.1: A 1 MET N :NH3+ 175:sc= -0.748 (180deg=-0.345) USER MOD Set 2.2: A 2 SER OG : rot 1:sc= 0.584 USER MOD Set 2.3: A 82 ASN : amide:sc= -0.897 K(o=-1.1,f=-5.3!) USER MOD Single : A 1 MET CE :methyl -132:sc= -0.0175 (180deg=-0.26) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -174:sc= 0.437 (180deg=0.413) USER MOD Single : A 15 LYS NZ :NH3+ -170:sc= -0.0105 (180deg=-0.123) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -166:sc= -0.462 (180deg=-0.988) USER MOD Single : A 26 LYS NZ :NH3+ 162:sc= -0.0392 (180deg=-0.328) USER MOD Single : A 27 MET CE :methyl -171:sc= -0.0649 (180deg=-0.315) USER MOD Single : A 28 GLN : amide:sc= -0.0325 X(o=-0.033,f=-0.51) USER MOD Single : A 34 GLN : amide:sc= -0.687 K(o=-0.69,f=0) USER MOD Single : A 35 SER OG : rot 101:sc= -1.39 USER MOD Single : A 37 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.26) USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0248) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.577 USER MOD Single : A 52 LYS NZ :NH3+ -172:sc=-0.00767 (180deg=-0.0716) USER MOD Single : A 53 GLN : amide:sc= 0.00168 K(o=0.0017,f=-2.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.34) USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= 0.934 (180deg=0.557) USER MOD Single : A 69 HIS : no HE2:sc= 0.259 K(o=0.26,f=-1) USER MOD Single : A 76 HIS : no HD1:sc= -1.66! X(o=-1.7!,f=-1.3) USER MOD Single : A 86 LYS NZ :NH3+ -155:sc= 0.607 (180deg=0.191) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.157 5.459 -11.491 1.00 0.00 N ATOM 2 CA MET A 1 2.271 5.241 -10.326 1.00 0.00 C ATOM 3 C MET A 1 3.125 4.914 -9.083 1.00 0.00 C ATOM 4 O MET A 1 3.355 3.746 -8.758 1.00 0.00 O ATOM 5 CB MET A 1 1.213 4.130 -10.648 1.00 0.00 C ATOM 6 CG MET A 1 0.004 4.075 -9.688 1.00 0.00 C ATOM 7 SD MET A 1 0.411 3.508 -8.016 1.00 0.00 S ATOM 8 CE MET A 1 0.865 1.793 -8.305 1.00 0.00 C ATOM 0 H1 MET A 1 2.580 5.596 -12.345 1.00 0.00 H new ATOM 0 H2 MET A 1 3.741 6.304 -11.329 1.00 0.00 H new ATOM 0 H3 MET A 1 3.773 4.631 -11.618 1.00 0.00 H new ATOM 0 HA MET A 1 1.710 6.150 -10.106 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.845 4.285 -11.662 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.712 3.161 -10.634 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.441 5.068 -9.625 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.752 3.413 -10.111 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.351 1.155 -7.586 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.577 1.506 -9.316 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.943 1.677 -8.188 1.00 0.00 H new ATOM 18 N SER A 2 3.655 5.975 -8.447 1.00 0.00 N ATOM 19 CA SER A 2 4.464 5.891 -7.211 1.00 0.00 C ATOM 20 C SER A 2 4.454 7.258 -6.505 1.00 0.00 C ATOM 21 O SER A 2 4.226 8.306 -7.133 1.00 0.00 O ATOM 22 CB SER A 2 5.936 5.468 -7.495 1.00 0.00 C ATOM 23 OG SER A 2 6.020 4.198 -8.126 1.00 0.00 O ATOM 0 H SER A 2 3.533 6.931 -8.781 1.00 0.00 H new ATOM 0 HA SER A 2 4.019 5.125 -6.576 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.411 6.218 -8.128 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.492 5.443 -6.558 1.00 0.00 H new ATOM 0 HG SER A 2 5.117 3.847 -8.275 1.00 0.00 H new ATOM 29 N LYS A 3 4.707 7.228 -5.190 1.00 0.00 N ATOM 30 CA LYS A 3 4.820 8.420 -4.334 1.00 0.00 C ATOM 31 C LYS A 3 6.170 8.385 -3.597 1.00 0.00 C ATOM 32 O LYS A 3 6.745 7.304 -3.396 1.00 0.00 O ATOM 33 CB LYS A 3 3.640 8.476 -3.319 1.00 0.00 C ATOM 34 CG LYS A 3 2.243 8.614 -3.970 1.00 0.00 C ATOM 35 CD LYS A 3 1.097 8.608 -2.937 1.00 0.00 C ATOM 36 CE LYS A 3 -0.292 8.702 -3.591 1.00 0.00 C ATOM 37 NZ LYS A 3 -1.381 8.646 -2.580 1.00 0.00 N ATOM 0 H LYS A 3 4.842 6.356 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 3 4.772 9.317 -4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.656 7.571 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.797 9.317 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.204 9.541 -4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.094 7.797 -4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.153 7.696 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.228 9.444 -2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.366 9.632 -4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.415 7.886 -4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.302 8.712 -3.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.325 7.748 -2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.278 9.439 -1.915 1.00 0.00 H new ATOM 51 N THR A 4 6.667 9.583 -3.230 1.00 0.00 N ATOM 52 CA THR A 4 7.946 9.774 -2.495 1.00 0.00 C ATOM 53 C THR A 4 9.154 9.256 -3.327 1.00 0.00 C ATOM 54 O THR A 4 10.191 8.842 -2.801 1.00 0.00 O ATOM 55 CB THR A 4 7.878 9.132 -1.053 1.00 0.00 C ATOM 56 OG1 THR A 4 6.591 9.407 -0.460 1.00 0.00 O ATOM 57 CG2 THR A 4 8.960 9.679 -0.105 1.00 0.00 C ATOM 0 H THR A 4 6.189 10.461 -3.436 1.00 0.00 H new ATOM 0 HA THR A 4 8.102 10.843 -2.352 1.00 0.00 H new ATOM 0 HB THR A 4 8.042 8.062 -1.181 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.550 9.007 0.434 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.864 9.202 0.870 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.946 9.467 -0.518 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.837 10.756 0.004 1.00 0.00 H new ATOM 65 N ALA A 5 8.990 9.309 -4.659 1.00 0.00 N ATOM 66 CA ALA A 5 10.046 8.991 -5.634 1.00 0.00 C ATOM 67 C ALA A 5 10.574 10.317 -6.245 1.00 0.00 C ATOM 68 O ALA A 5 10.582 11.347 -5.551 1.00 0.00 O ATOM 69 CB ALA A 5 9.473 8.018 -6.685 1.00 0.00 C ATOM 0 H ALA A 5 8.108 9.578 -5.095 1.00 0.00 H new ATOM 0 HA ALA A 5 10.895 8.493 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.246 7.774 -7.414 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.138 7.105 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.630 8.486 -7.193 1.00 0.00 H new ATOM 75 N LYS A 6 11.029 10.303 -7.521 1.00 0.00 N ATOM 76 CA LYS A 6 11.521 11.520 -8.210 1.00 0.00 C ATOM 77 C LYS A 6 10.362 12.510 -8.477 1.00 0.00 C ATOM 78 O LYS A 6 9.654 12.416 -9.484 1.00 0.00 O ATOM 79 CB LYS A 6 12.292 11.169 -9.528 1.00 0.00 C ATOM 80 CG LYS A 6 13.767 10.718 -9.336 1.00 0.00 C ATOM 81 CD LYS A 6 13.925 9.333 -8.668 1.00 0.00 C ATOM 82 CE LYS A 6 13.454 8.174 -9.565 1.00 0.00 C ATOM 83 NZ LYS A 6 13.592 6.855 -8.893 1.00 0.00 N ATOM 0 H LYS A 6 11.065 9.460 -8.095 1.00 0.00 H new ATOM 0 HA LYS A 6 12.233 12.010 -7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.752 10.376 -10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.279 12.042 -10.181 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.258 10.698 -10.309 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.287 11.462 -8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.972 9.180 -8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.358 9.318 -7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.412 8.332 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.033 8.172 -10.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.264 6.104 -9.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.590 6.692 -8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.019 6.846 -8.025 1.00 0.00 H new ATOM 97 N LEU A 7 10.153 13.399 -7.494 1.00 0.00 N ATOM 98 CA LEU A 7 9.254 14.561 -7.580 1.00 0.00 C ATOM 99 C LEU A 7 10.070 15.745 -7.042 1.00 0.00 C ATOM 100 O LEU A 7 10.129 15.973 -5.825 1.00 0.00 O ATOM 101 CB LEU A 7 7.931 14.289 -6.775 1.00 0.00 C ATOM 102 CG LEU A 7 6.756 15.344 -6.883 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.392 14.693 -6.547 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.966 16.581 -5.973 1.00 0.00 C ATOM 0 H LEU A 7 10.619 13.327 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 7 8.922 14.772 -8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.540 13.323 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.196 14.194 -5.722 1.00 0.00 H new ATOM 0 HG LEU A 7 6.760 15.687 -7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.602 15.440 -6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.195 13.879 -7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.417 14.301 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.127 17.267 -6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.028 16.261 -4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.890 17.086 -6.253 1.00 0.00 H new ATOM 116 N ASN A 8 10.791 16.420 -7.954 1.00 0.00 N ATOM 117 CA ASN A 8 11.727 17.502 -7.597 1.00 0.00 C ATOM 118 C ASN A 8 10.994 18.853 -7.617 1.00 0.00 C ATOM 119 O ASN A 8 10.652 19.405 -6.562 1.00 0.00 O ATOM 120 CB ASN A 8 12.950 17.516 -8.563 1.00 0.00 C ATOM 121 CG ASN A 8 14.033 18.542 -8.188 1.00 0.00 C ATOM 122 OD1 ASN A 8 14.257 18.825 -7.011 1.00 0.00 O ATOM 123 ND2 ASN A 8 14.700 19.117 -9.179 1.00 0.00 N ATOM 0 H ASN A 8 10.742 16.233 -8.955 1.00 0.00 H new ATOM 0 HA ASN A 8 12.103 17.325 -6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 8 13.397 16.522 -8.581 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.599 17.726 -9.573 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.418 19.812 -8.975 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.495 18.865 -10.146 1.00 0.00 H new ATOM 130 N ASN A 9 10.747 19.374 -8.832 1.00 0.00 N ATOM 131 CA ASN A 9 10.050 20.654 -9.027 1.00 0.00 C ATOM 132 C ASN A 9 8.547 20.375 -9.115 1.00 0.00 C ATOM 133 O ASN A 9 8.031 20.068 -10.202 1.00 0.00 O ATOM 134 CB ASN A 9 10.569 21.374 -10.301 1.00 0.00 C ATOM 135 CG ASN A 9 12.097 21.510 -10.339 1.00 0.00 C ATOM 136 OD1 ASN A 9 12.790 20.633 -10.857 1.00 0.00 O ATOM 137 ND2 ASN A 9 12.642 22.591 -9.784 1.00 0.00 N ATOM 0 H ASN A 9 11.025 18.920 -9.702 1.00 0.00 H new ATOM 0 HA ASN A 9 10.246 21.319 -8.186 1.00 0.00 H new ATOM 0 HB2 ASN A 9 10.238 20.824 -11.182 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.121 22.366 -10.358 1.00 0.00 H new ATOM 0 HD21 ASN A 9 13.655 22.707 -9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.046 23.303 -9.362 1.00 0.00 H new ATOM 144 N GLU A 10 7.869 20.448 -7.946 1.00 0.00 N ATOM 145 CA GLU A 10 6.417 20.183 -7.808 1.00 0.00 C ATOM 146 C GLU A 10 5.612 20.986 -8.841 1.00 0.00 C ATOM 147 O GLU A 10 4.688 20.463 -9.461 1.00 0.00 O ATOM 148 CB GLU A 10 5.952 20.552 -6.374 1.00 0.00 C ATOM 149 CG GLU A 10 4.466 20.289 -6.096 1.00 0.00 C ATOM 150 CD GLU A 10 4.075 20.399 -4.618 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.242 19.402 -3.878 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.593 21.474 -4.189 1.00 0.00 O ATOM 0 H GLU A 10 8.318 20.695 -7.064 1.00 0.00 H new ATOM 0 HA GLU A 10 6.241 19.122 -7.987 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.548 19.987 -5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.159 21.608 -6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.869 20.996 -6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.212 19.292 -6.454 1.00 0.00 H new ATOM 159 N GLU A 11 6.056 22.241 -9.046 1.00 0.00 N ATOM 160 CA GLU A 11 5.450 23.212 -9.976 1.00 0.00 C ATOM 161 C GLU A 11 5.263 22.637 -11.398 1.00 0.00 C ATOM 162 O GLU A 11 4.237 22.869 -12.036 1.00 0.00 O ATOM 163 CB GLU A 11 6.352 24.470 -10.038 1.00 0.00 C ATOM 164 CG GLU A 11 5.710 25.704 -10.698 1.00 0.00 C ATOM 165 CD GLU A 11 4.510 26.245 -9.909 1.00 0.00 C ATOM 166 OE1 GLU A 11 4.724 26.814 -8.815 1.00 0.00 O ATOM 167 OE2 GLU A 11 3.356 26.097 -10.364 1.00 0.00 O ATOM 0 H GLU A 11 6.868 22.617 -8.556 1.00 0.00 H new ATOM 0 HA GLU A 11 4.457 23.461 -9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.650 24.734 -9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.262 24.219 -10.583 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.459 26.490 -10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.388 25.445 -11.707 1.00 0.00 H new ATOM 174 N LYS A 12 6.267 21.879 -11.874 1.00 0.00 N ATOM 175 CA LYS A 12 6.253 21.292 -13.228 1.00 0.00 C ATOM 176 C LYS A 12 5.213 20.168 -13.339 1.00 0.00 C ATOM 177 O LYS A 12 4.534 20.039 -14.366 1.00 0.00 O ATOM 178 CB LYS A 12 7.651 20.763 -13.624 1.00 0.00 C ATOM 179 CG LYS A 12 8.764 21.838 -13.628 1.00 0.00 C ATOM 180 CD LYS A 12 10.038 21.378 -14.368 1.00 0.00 C ATOM 181 CE LYS A 12 9.778 21.137 -15.868 1.00 0.00 C ATOM 182 NZ LYS A 12 10.991 20.689 -16.586 1.00 0.00 N ATOM 0 H LYS A 12 7.105 21.657 -11.337 1.00 0.00 H new ATOM 0 HA LYS A 12 5.975 22.087 -13.920 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.934 19.967 -12.935 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.590 20.317 -14.617 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.384 22.746 -14.098 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.019 22.094 -12.600 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.817 22.131 -14.251 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.411 20.461 -13.912 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.994 20.388 -15.982 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.409 22.057 -16.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.792 20.638 -17.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.764 21.364 -16.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.271 19.749 -16.241 1.00 0.00 H new ATOM 196 N LEU A 13 5.095 19.359 -12.269 1.00 0.00 N ATOM 197 CA LEU A 13 4.079 18.292 -12.184 1.00 0.00 C ATOM 198 C LEU A 13 2.666 18.901 -12.170 1.00 0.00 C ATOM 199 O LEU A 13 1.731 18.351 -12.755 1.00 0.00 O ATOM 200 CB LEU A 13 4.302 17.388 -10.945 1.00 0.00 C ATOM 201 CG LEU A 13 5.537 16.428 -11.020 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.850 17.111 -10.581 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.289 15.121 -10.245 1.00 0.00 C ATOM 0 H LEU A 13 5.695 19.425 -11.447 1.00 0.00 H new ATOM 0 HA LEU A 13 4.180 17.662 -13.068 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.413 18.026 -10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.406 16.787 -10.791 1.00 0.00 H new ATOM 0 HG LEU A 13 5.662 16.168 -12.071 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.672 16.399 -10.653 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.051 17.964 -11.229 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.755 17.453 -9.550 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.168 14.481 -10.320 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.096 15.350 -9.197 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.427 14.605 -10.668 1.00 0.00 H new ATOM 215 N VAL A 14 2.545 20.053 -11.510 1.00 0.00 N ATOM 216 CA VAL A 14 1.310 20.850 -11.488 1.00 0.00 C ATOM 217 C VAL A 14 0.922 21.277 -12.911 1.00 0.00 C ATOM 218 O VAL A 14 -0.230 21.126 -13.306 1.00 0.00 O ATOM 219 CB VAL A 14 1.482 22.100 -10.564 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.255 23.048 -10.598 1.00 0.00 C ATOM 221 CG2 VAL A 14 1.801 21.640 -9.135 1.00 0.00 C ATOM 0 H VAL A 14 3.305 20.466 -10.970 1.00 0.00 H new ATOM 0 HA VAL A 14 0.507 20.234 -11.084 1.00 0.00 H new ATOM 0 HB VAL A 14 2.317 22.687 -10.947 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.433 23.897 -9.938 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.100 23.406 -11.616 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.631 22.508 -10.265 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.921 22.511 -8.491 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.985 21.022 -8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.724 21.060 -9.137 1.00 0.00 H new ATOM 231 N LYS A 15 1.917 21.766 -13.683 1.00 0.00 N ATOM 232 CA LYS A 15 1.725 22.184 -15.093 1.00 0.00 C ATOM 233 C LYS A 15 1.277 21.004 -15.969 1.00 0.00 C ATOM 234 O LYS A 15 0.430 21.163 -16.851 1.00 0.00 O ATOM 235 CB LYS A 15 3.024 22.800 -15.663 1.00 0.00 C ATOM 236 CG LYS A 15 3.508 24.030 -14.883 1.00 0.00 C ATOM 237 CD LYS A 15 4.826 24.620 -15.421 1.00 0.00 C ATOM 238 CE LYS A 15 5.364 25.741 -14.517 1.00 0.00 C ATOM 239 NZ LYS A 15 4.333 26.779 -14.235 1.00 0.00 N ATOM 0 H LYS A 15 2.874 21.883 -13.349 1.00 0.00 H new ATOM 0 HA LYS A 15 0.939 22.939 -15.107 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.809 22.044 -15.658 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.858 23.080 -16.703 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.735 24.798 -14.916 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.642 23.757 -13.836 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.572 23.829 -15.501 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.666 25.010 -16.426 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.712 25.312 -13.577 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.226 26.208 -14.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.780 27.594 -13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.897 27.087 -15.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.601 26.381 -13.612 1.00 0.00 H new ATOM 253 N LYS A 16 1.846 19.822 -15.692 1.00 0.00 N ATOM 254 CA LYS A 16 1.485 18.563 -16.377 1.00 0.00 C ATOM 255 C LYS A 16 0.049 18.148 -16.015 1.00 0.00 C ATOM 256 O LYS A 16 -0.671 17.589 -16.837 1.00 0.00 O ATOM 257 CB LYS A 16 2.476 17.447 -15.986 1.00 0.00 C ATOM 258 CG LYS A 16 2.312 16.101 -16.732 1.00 0.00 C ATOM 259 CD LYS A 16 2.639 16.190 -18.235 1.00 0.00 C ATOM 260 CE LYS A 16 2.513 14.832 -18.949 1.00 0.00 C ATOM 261 NZ LYS A 16 3.028 14.887 -20.337 1.00 0.00 N ATOM 0 H LYS A 16 2.572 19.707 -14.985 1.00 0.00 H new ATOM 0 HA LYS A 16 1.538 18.723 -17.454 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.489 17.812 -16.155 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.379 17.261 -14.916 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.961 15.357 -16.270 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.287 15.750 -16.611 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.969 16.908 -18.707 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.653 16.570 -18.361 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.061 14.075 -18.388 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.467 14.524 -18.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.925 13.953 -20.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.488 15.591 -20.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.033 15.156 -20.324 1.00 0.00 H new ATOM 275 N ALA A 17 -0.351 18.440 -14.771 1.00 0.00 N ATOM 276 CA ALA A 17 -1.717 18.202 -14.280 1.00 0.00 C ATOM 277 C ALA A 17 -2.693 19.233 -14.878 1.00 0.00 C ATOM 278 O ALA A 17 -3.890 18.970 -14.963 1.00 0.00 O ATOM 279 CB ALA A 17 -1.754 18.227 -12.745 1.00 0.00 C ATOM 0 H ALA A 17 0.267 18.851 -14.071 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.034 17.211 -14.605 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.773 18.049 -12.403 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.098 17.450 -12.353 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.416 19.200 -12.389 1.00 0.00 H new ATOM 285 N LEU A 18 -2.168 20.412 -15.285 1.00 0.00 N ATOM 286 CA LEU A 18 -2.964 21.427 -16.007 1.00 0.00 C ATOM 287 C LEU A 18 -3.198 20.966 -17.450 1.00 0.00 C ATOM 288 O LEU A 18 -4.255 21.229 -18.025 1.00 0.00 O ATOM 289 CB LEU A 18 -2.299 22.838 -15.999 1.00 0.00 C ATOM 290 CG LEU A 18 -1.849 23.396 -14.615 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.350 24.854 -14.703 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.949 23.237 -13.555 1.00 0.00 C ATOM 0 H LEU A 18 -1.197 20.682 -15.125 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.915 21.524 -15.483 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.427 22.806 -16.652 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.001 23.547 -16.439 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.998 22.793 -14.297 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.048 25.196 -13.713 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.498 24.907 -15.380 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.151 25.491 -15.078 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.598 23.637 -12.604 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.840 23.780 -13.871 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.191 22.181 -13.437 1.00 0.00 H new ATOM 304 N GLU A 19 -2.195 20.271 -18.019 1.00 0.00 N ATOM 305 CA GLU A 19 -2.293 19.684 -19.363 1.00 0.00 C ATOM 306 C GLU A 19 -3.308 18.527 -19.380 1.00 0.00 C ATOM 307 O GLU A 19 -4.283 18.575 -20.119 1.00 0.00 O ATOM 308 CB GLU A 19 -0.903 19.200 -19.855 1.00 0.00 C ATOM 309 CG GLU A 19 0.165 20.309 -19.955 1.00 0.00 C ATOM 310 CD GLU A 19 1.526 19.784 -20.436 1.00 0.00 C ATOM 311 OE1 GLU A 19 1.744 19.695 -21.664 1.00 0.00 O ATOM 312 OE2 GLU A 19 2.377 19.428 -19.592 1.00 0.00 O ATOM 0 H GLU A 19 -1.300 20.103 -17.560 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.646 20.457 -20.046 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.542 18.426 -19.178 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.020 18.737 -20.835 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.184 21.082 -20.640 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.286 20.779 -18.979 1.00 0.00 H new ATOM 319 N ILE A 20 -3.078 17.510 -18.533 1.00 0.00 N ATOM 320 CA ILE A 20 -3.910 16.292 -18.484 1.00 0.00 C ATOM 321 C ILE A 20 -5.295 16.612 -17.891 1.00 0.00 C ATOM 322 O ILE A 20 -6.311 16.333 -18.516 1.00 0.00 O ATOM 323 CB ILE A 20 -3.211 15.139 -17.671 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.756 14.874 -18.195 1.00 0.00 C ATOM 325 CG2 ILE A 20 -4.053 13.838 -17.695 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.649 14.473 -19.656 1.00 0.00 C ATOM 0 H ILE A 20 -2.310 17.507 -17.862 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.038 15.938 -19.507 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.139 15.469 -16.635 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.163 15.775 -18.040 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.307 14.088 -17.587 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.541 13.063 -17.124 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.031 14.029 -17.252 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.180 13.506 -18.725 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.602 14.314 -19.914 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.207 13.552 -19.822 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.061 15.265 -20.282 1.00 0.00 H new ATOM 338 N GLY A 21 -5.313 17.231 -16.705 1.00 0.00 N ATOM 339 CA GLY A 21 -6.563 17.601 -16.031 1.00 0.00 C ATOM 340 C GLY A 21 -7.348 18.662 -16.792 1.00 0.00 C ATOM 341 O GLY A 21 -8.578 18.645 -16.795 1.00 0.00 O ATOM 0 H GLY A 21 -4.471 17.487 -16.190 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.183 16.713 -15.910 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.336 17.970 -15.031 1.00 0.00 H new ATOM 345 N GLY A 22 -6.624 19.583 -17.455 1.00 0.00 N ATOM 346 CA GLY A 22 -7.246 20.631 -18.259 1.00 0.00 C ATOM 347 C GLY A 22 -7.838 20.111 -19.565 1.00 0.00 C ATOM 348 O GLY A 22 -8.914 20.557 -19.967 1.00 0.00 O ATOM 0 H GLY A 22 -5.605 19.615 -17.444 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.033 21.110 -17.676 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.504 21.397 -18.483 1.00 0.00 H new ATOM 352 N LYS A 23 -7.143 19.149 -20.227 1.00 0.00 N ATOM 353 CA LYS A 23 -7.626 18.566 -21.503 1.00 0.00 C ATOM 354 C LYS A 23 -8.787 17.602 -21.235 1.00 0.00 C ATOM 355 O LYS A 23 -9.717 17.520 -22.029 1.00 0.00 O ATOM 356 CB LYS A 23 -6.512 17.833 -22.310 1.00 0.00 C ATOM 357 CG LYS A 23 -6.020 16.498 -21.713 1.00 0.00 C ATOM 358 CD LYS A 23 -5.166 15.681 -22.694 1.00 0.00 C ATOM 359 CE LYS A 23 -4.601 14.402 -22.061 1.00 0.00 C ATOM 360 NZ LYS A 23 -3.701 13.673 -22.992 1.00 0.00 N ATOM 0 H LYS A 23 -6.256 18.765 -19.901 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.961 19.403 -22.116 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.884 17.644 -23.317 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.658 18.503 -22.406 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.437 16.701 -20.814 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.881 15.904 -21.407 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.770 15.416 -23.562 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.343 16.298 -23.054 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.054 14.657 -21.153 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.423 13.750 -21.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.341 12.816 -22.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.229 13.407 -23.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.903 14.286 -23.254 1.00 0.00 H new ATOM 374 N MET A 24 -8.710 16.871 -20.105 1.00 0.00 N ATOM 375 CA MET A 24 -9.771 15.948 -19.686 1.00 0.00 C ATOM 376 C MET A 24 -11.032 16.745 -19.343 1.00 0.00 C ATOM 377 O MET A 24 -12.118 16.370 -19.757 1.00 0.00 O ATOM 378 CB MET A 24 -9.334 15.066 -18.488 1.00 0.00 C ATOM 379 CG MET A 24 -8.330 13.952 -18.826 1.00 0.00 C ATOM 380 SD MET A 24 -8.186 12.709 -17.515 1.00 0.00 S ATOM 381 CE MET A 24 -8.100 13.721 -16.033 1.00 0.00 C ATOM 0 H MET A 24 -7.916 16.906 -19.466 1.00 0.00 H new ATOM 0 HA MET A 24 -9.982 15.272 -20.514 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.895 15.709 -17.725 1.00 0.00 H new ATOM 0 HB3 MET A 24 -10.222 14.611 -18.049 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.636 13.463 -19.751 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.351 14.395 -19.008 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.764 13.111 -15.195 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.397 14.539 -16.191 1.00 0.00 H new ATOM 0 HE3 MET A 24 -9.087 14.128 -15.813 1.00 0.00 H new ATOM 391 N ALA A 25 -10.849 17.869 -18.617 1.00 0.00 N ATOM 392 CA ALA A 25 -11.939 18.820 -18.319 1.00 0.00 C ATOM 393 C ALA A 25 -12.534 19.367 -19.617 1.00 0.00 C ATOM 394 O ALA A 25 -13.758 19.408 -19.785 1.00 0.00 O ATOM 395 CB ALA A 25 -11.433 19.971 -17.434 1.00 0.00 C ATOM 0 H ALA A 25 -9.948 18.140 -18.224 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.718 18.288 -17.773 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.253 20.659 -17.228 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.052 19.568 -16.495 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.634 20.503 -17.951 1.00 0.00 H new ATOM 401 N LYS A 26 -11.643 19.726 -20.558 1.00 0.00 N ATOM 402 CA LYS A 26 -12.032 20.336 -21.834 1.00 0.00 C ATOM 403 C LYS A 26 -12.978 19.392 -22.596 1.00 0.00 C ATOM 404 O LYS A 26 -14.089 19.784 -22.973 1.00 0.00 O ATOM 405 CB LYS A 26 -10.784 20.696 -22.700 1.00 0.00 C ATOM 406 CG LYS A 26 -10.969 21.944 -23.594 1.00 0.00 C ATOM 407 CD LYS A 26 -9.812 22.169 -24.604 1.00 0.00 C ATOM 408 CE LYS A 26 -9.909 21.247 -25.831 1.00 0.00 C ATOM 409 NZ LYS A 26 -11.139 21.499 -26.629 1.00 0.00 N ATOM 0 H LYS A 26 -10.636 19.600 -20.452 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.557 21.268 -21.624 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.933 20.860 -22.039 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.537 19.843 -23.333 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.905 21.850 -24.144 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.060 22.825 -22.958 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.820 23.208 -24.934 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.859 22.001 -24.102 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.032 21.392 -26.462 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.897 20.207 -25.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.025 21.094 -27.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.954 21.056 -26.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.299 22.524 -26.706 1.00 0.00 H new ATOM 423 N MET A 27 -12.539 18.123 -22.723 1.00 0.00 N ATOM 424 CA MET A 27 -13.308 17.049 -23.376 1.00 0.00 C ATOM 425 C MET A 27 -14.603 16.708 -22.592 1.00 0.00 C ATOM 426 O MET A 27 -15.629 16.391 -23.201 1.00 0.00 O ATOM 427 CB MET A 27 -12.419 15.787 -23.550 1.00 0.00 C ATOM 428 CG MET A 27 -11.220 15.984 -24.501 1.00 0.00 C ATOM 429 SD MET A 27 -10.212 14.497 -24.717 1.00 0.00 S ATOM 430 CE MET A 27 -9.521 14.244 -23.078 1.00 0.00 C ATOM 0 H MET A 27 -11.633 17.814 -22.371 1.00 0.00 H new ATOM 0 HA MET A 27 -13.613 17.406 -24.360 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.046 15.481 -22.572 1.00 0.00 H new ATOM 0 HB3 MET A 27 -13.036 14.971 -23.926 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.589 16.307 -25.475 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.590 16.786 -24.116 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.763 13.461 -23.119 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.067 15.171 -22.728 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.313 13.946 -22.391 1.00 0.00 H new ATOM 440 N GLN A 28 -14.551 16.799 -21.242 1.00 0.00 N ATOM 441 CA GLN A 28 -15.739 16.604 -20.361 1.00 0.00 C ATOM 442 C GLN A 28 -16.774 17.735 -20.563 1.00 0.00 C ATOM 443 O GLN A 28 -17.937 17.601 -20.171 1.00 0.00 O ATOM 444 CB GLN A 28 -15.312 16.499 -18.859 1.00 0.00 C ATOM 445 CG GLN A 28 -14.648 15.154 -18.465 1.00 0.00 C ATOM 446 CD GLN A 28 -15.611 13.957 -18.499 1.00 0.00 C ATOM 447 OE1 GLN A 28 -16.815 14.097 -18.264 1.00 0.00 O ATOM 448 NE2 GLN A 28 -15.087 12.773 -18.785 1.00 0.00 N ATOM 0 H GLN A 28 -13.693 17.008 -20.731 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.212 15.663 -20.643 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.619 17.310 -18.635 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.192 16.651 -18.234 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.815 14.958 -19.140 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.231 15.245 -17.462 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.088 12.690 -18.975 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.683 11.946 -18.815 1.00 0.00 H new ATOM 457 N GLY A 29 -16.329 18.847 -21.163 1.00 0.00 N ATOM 458 CA GLY A 29 -17.226 19.915 -21.616 1.00 0.00 C ATOM 459 C GLY A 29 -16.925 21.223 -20.932 1.00 0.00 C ATOM 460 O GLY A 29 -17.837 21.952 -20.520 1.00 0.00 O ATOM 0 H GLY A 29 -15.342 19.030 -21.347 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.130 20.038 -22.695 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.259 19.630 -21.419 1.00 0.00 H new ATOM 464 N PHE A 30 -15.623 21.525 -20.799 1.00 0.00 N ATOM 465 CA PHE A 30 -15.142 22.718 -20.071 1.00 0.00 C ATOM 466 C PHE A 30 -14.008 23.389 -20.860 1.00 0.00 C ATOM 467 O PHE A 30 -13.725 23.014 -22.003 1.00 0.00 O ATOM 468 CB PHE A 30 -14.644 22.327 -18.639 1.00 0.00 C ATOM 469 CG PHE A 30 -15.702 21.692 -17.733 1.00 0.00 C ATOM 470 CD1 PHE A 30 -16.522 22.478 -16.927 1.00 0.00 C ATOM 471 CD2 PHE A 30 -15.885 20.310 -17.697 1.00 0.00 C ATOM 472 CE1 PHE A 30 -17.482 21.899 -16.116 1.00 0.00 C ATOM 473 CE2 PHE A 30 -16.845 19.736 -16.894 1.00 0.00 C ATOM 474 CZ PHE A 30 -17.645 20.531 -16.101 1.00 0.00 C ATOM 0 H PHE A 30 -14.874 20.953 -21.190 1.00 0.00 H new ATOM 0 HA PHE A 30 -15.970 23.420 -19.967 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.810 21.633 -18.739 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.258 23.221 -18.149 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.407 23.552 -16.935 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.261 19.677 -18.311 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.106 22.522 -15.492 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.971 18.663 -16.885 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.398 20.082 -15.470 1.00 0.00 H new ATOM 484 N ASP A 31 -13.437 24.430 -20.246 1.00 0.00 N ATOM 485 CA ASP A 31 -12.148 25.022 -20.605 1.00 0.00 C ATOM 486 C ASP A 31 -11.825 26.022 -19.494 1.00 0.00 C ATOM 487 O ASP A 31 -12.529 27.031 -19.334 1.00 0.00 O ATOM 488 CB ASP A 31 -12.165 25.713 -21.995 1.00 0.00 C ATOM 489 CG ASP A 31 -10.757 26.160 -22.429 1.00 0.00 C ATOM 490 OD1 ASP A 31 -10.038 25.356 -23.061 1.00 0.00 O ATOM 491 OD2 ASP A 31 -10.360 27.310 -22.135 1.00 0.00 O ATOM 0 H ASP A 31 -13.878 24.900 -19.455 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.387 24.246 -20.690 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.573 25.027 -22.737 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.827 26.578 -21.963 1.00 0.00 H new ATOM 496 N LEU A 32 -10.795 25.711 -18.709 1.00 0.00 N ATOM 497 CA LEU A 32 -10.513 26.381 -17.430 1.00 0.00 C ATOM 498 C LEU A 32 -9.964 27.809 -17.659 1.00 0.00 C ATOM 499 O LEU A 32 -9.183 27.998 -18.595 1.00 0.00 O ATOM 500 CB LEU A 32 -9.538 25.482 -16.629 1.00 0.00 C ATOM 501 CG LEU A 32 -10.003 23.985 -16.480 1.00 0.00 C ATOM 502 CD1 LEU A 32 -8.960 23.139 -15.741 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.394 23.881 -15.798 1.00 0.00 C ATOM 0 H LEU A 32 -10.123 24.980 -18.941 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.428 26.511 -16.852 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.564 25.500 -17.117 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.404 25.908 -15.635 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.100 23.581 -17.488 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.317 22.112 -15.658 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.021 23.153 -16.295 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.799 23.549 -14.744 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.680 22.833 -15.713 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.346 24.326 -14.804 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.134 24.412 -16.397 1.00 0.00 H new ATOM 515 N PRO A 33 -10.376 28.822 -16.797 1.00 0.00 N ATOM 516 CA PRO A 33 -10.109 30.278 -17.023 1.00 0.00 C ATOM 517 C PRO A 33 -8.640 30.583 -17.391 1.00 0.00 C ATOM 518 O PRO A 33 -7.756 30.605 -16.537 1.00 0.00 O ATOM 519 CB PRO A 33 -10.517 30.935 -15.674 1.00 0.00 C ATOM 520 CG PRO A 33 -11.552 30.010 -15.112 1.00 0.00 C ATOM 521 CD PRO A 33 -11.122 28.615 -15.518 1.00 0.00 C ATOM 0 HA PRO A 33 -10.667 30.663 -17.876 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.663 31.031 -15.004 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.918 31.937 -15.825 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.610 30.101 -14.027 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.541 30.244 -15.505 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.490 28.155 -14.758 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.980 27.958 -15.659 1.00 0.00 H new ATOM 529 N GLN A 34 -8.407 30.804 -18.693 1.00 0.00 N ATOM 530 CA GLN A 34 -7.059 30.816 -19.295 1.00 0.00 C ATOM 531 C GLN A 34 -6.407 32.212 -19.293 1.00 0.00 C ATOM 532 O GLN A 34 -5.208 32.331 -19.582 1.00 0.00 O ATOM 533 CB GLN A 34 -7.151 30.240 -20.741 1.00 0.00 C ATOM 534 CG GLN A 34 -8.006 31.072 -21.725 1.00 0.00 C ATOM 535 CD GLN A 34 -8.222 30.414 -23.103 1.00 0.00 C ATOM 536 OE1 GLN A 34 -8.304 31.101 -24.123 1.00 0.00 O ATOM 537 NE2 GLN A 34 -8.378 29.099 -23.139 1.00 0.00 N ATOM 0 H GLN A 34 -9.153 30.981 -19.366 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.410 30.191 -18.682 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.143 30.152 -21.145 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.563 29.232 -20.689 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.979 31.261 -21.271 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.529 32.041 -21.871 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.305 28.553 -22.280 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.571 28.632 -24.025 1.00 0.00 H new ATOM 546 N SER A 35 -7.186 33.261 -18.968 1.00 0.00 N ATOM 547 CA SER A 35 -6.700 34.656 -19.023 1.00 0.00 C ATOM 548 C SER A 35 -5.760 35.041 -17.832 1.00 0.00 C ATOM 549 O SER A 35 -4.729 35.679 -18.081 1.00 0.00 O ATOM 550 CB SER A 35 -7.884 35.659 -19.201 1.00 0.00 C ATOM 551 OG SER A 35 -8.951 35.419 -18.293 1.00 0.00 O ATOM 0 H SER A 35 -8.155 33.170 -18.664 1.00 0.00 H new ATOM 0 HA SER A 35 -6.070 34.728 -19.909 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.517 36.676 -19.062 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.260 35.593 -20.222 1.00 0.00 H new ATOM 0 HG SER A 35 -8.900 36.059 -17.552 1.00 0.00 H new ATOM 557 N PRO A 36 -6.064 34.691 -16.518 1.00 0.00 N ATOM 558 CA PRO A 36 -5.116 34.960 -15.404 1.00 0.00 C ATOM 559 C PRO A 36 -3.851 34.085 -15.488 1.00 0.00 C ATOM 560 O PRO A 36 -2.742 34.588 -15.279 1.00 0.00 O ATOM 561 CB PRO A 36 -5.940 34.657 -14.110 1.00 0.00 C ATOM 562 CG PRO A 36 -7.370 34.595 -14.570 1.00 0.00 C ATOM 563 CD PRO A 36 -7.314 34.068 -15.987 1.00 0.00 C ATOM 0 HA PRO A 36 -4.743 35.984 -15.430 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.630 33.716 -13.655 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.799 35.436 -13.360 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.960 33.939 -13.930 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.837 35.579 -14.535 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.267 32.979 -16.013 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.190 34.363 -16.564 1.00 0.00 H new ATOM 571 N GLN A 37 -4.086 32.772 -15.791 1.00 0.00 N ATOM 572 CA GLN A 37 -3.097 31.649 -15.854 1.00 0.00 C ATOM 573 C GLN A 37 -3.115 30.745 -14.566 1.00 0.00 C ATOM 574 O GLN A 37 -3.580 29.602 -14.662 1.00 0.00 O ATOM 575 CB GLN A 37 -1.633 32.048 -16.264 1.00 0.00 C ATOM 576 CG GLN A 37 -1.486 32.656 -17.680 1.00 0.00 C ATOM 577 CD GLN A 37 -1.846 31.700 -18.828 1.00 0.00 C ATOM 578 OE1 GLN A 37 -1.665 30.483 -18.734 1.00 0.00 O ATOM 579 NE2 GLN A 37 -2.365 32.245 -19.928 1.00 0.00 N ATOM 0 H GLN A 37 -5.028 32.450 -16.011 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.459 31.051 -16.690 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.252 32.765 -15.537 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.001 31.162 -16.199 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.120 33.540 -17.749 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.457 32.990 -17.812 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.504 33.254 -19.980 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.623 31.653 -20.718 1.00 0.00 H new ATOM 588 N PRO A 38 -2.668 31.211 -13.323 1.00 0.00 N ATOM 589 CA PRO A 38 -2.496 30.301 -12.136 1.00 0.00 C ATOM 590 C PRO A 38 -3.825 29.791 -11.536 1.00 0.00 C ATOM 591 O PRO A 38 -3.824 28.859 -10.728 1.00 0.00 O ATOM 592 CB PRO A 38 -1.738 31.190 -11.125 1.00 0.00 C ATOM 593 CG PRO A 38 -2.226 32.570 -11.439 1.00 0.00 C ATOM 594 CD PRO A 38 -2.315 32.614 -12.941 1.00 0.00 C ATOM 0 HA PRO A 38 -1.974 29.384 -12.410 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.963 30.909 -10.096 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.658 31.108 -11.249 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.196 32.761 -10.980 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.540 33.328 -11.061 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.073 33.322 -13.275 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.370 32.924 -13.388 1.00 0.00 H new ATOM 602 N VAL A 39 -4.953 30.411 -11.922 1.00 0.00 N ATOM 603 CA VAL A 39 -6.297 30.005 -11.441 1.00 0.00 C ATOM 604 C VAL A 39 -6.676 28.597 -11.940 1.00 0.00 C ATOM 605 O VAL A 39 -7.494 27.913 -11.322 1.00 0.00 O ATOM 606 CB VAL A 39 -7.402 31.025 -11.879 1.00 0.00 C ATOM 607 CG1 VAL A 39 -7.152 32.416 -11.257 1.00 0.00 C ATOM 608 CG2 VAL A 39 -7.499 31.107 -13.420 1.00 0.00 C ATOM 0 H VAL A 39 -4.967 31.200 -12.569 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.243 29.992 -10.352 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.360 30.665 -11.505 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.934 33.104 -11.578 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.163 32.336 -10.170 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.182 32.792 -11.583 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.273 31.822 -13.698 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.542 31.432 -13.828 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.750 30.125 -13.821 1.00 0.00 H new ATOM 618 N ARG A 40 -6.054 28.185 -13.067 1.00 0.00 N ATOM 619 CA ARG A 40 -6.290 26.870 -13.687 1.00 0.00 C ATOM 620 C ARG A 40 -5.778 25.733 -12.795 1.00 0.00 C ATOM 621 O ARG A 40 -6.258 24.620 -12.904 1.00 0.00 O ATOM 622 CB ARG A 40 -5.640 26.790 -15.084 1.00 0.00 C ATOM 623 CG ARG A 40 -6.145 27.861 -16.065 1.00 0.00 C ATOM 624 CD ARG A 40 -5.613 27.659 -17.486 1.00 0.00 C ATOM 625 NE ARG A 40 -6.110 26.392 -18.071 1.00 0.00 N ATOM 626 CZ ARG A 40 -5.996 26.024 -19.353 1.00 0.00 C ATOM 627 NH1 ARG A 40 -5.463 26.837 -20.254 1.00 0.00 N ATOM 628 NH2 ARG A 40 -6.461 24.842 -19.733 1.00 0.00 N ATOM 0 H ARG A 40 -5.375 28.757 -13.569 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.368 26.753 -13.802 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.560 26.888 -14.978 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.831 25.804 -15.507 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.235 27.846 -16.084 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.846 28.846 -15.706 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.918 28.496 -18.114 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.523 27.653 -17.471 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.581 25.742 -17.441 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.131 27.760 -19.975 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.384 26.539 -21.226 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.900 24.224 -19.051 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.380 24.551 -20.707 1.00 0.00 H new ATOM 642 N VAL A 41 -4.791 26.037 -11.934 1.00 0.00 N ATOM 643 CA VAL A 41 -4.309 25.105 -10.885 1.00 0.00 C ATOM 644 C VAL A 41 -5.478 24.640 -9.984 1.00 0.00 C ATOM 645 O VAL A 41 -5.770 23.436 -9.874 1.00 0.00 O ATOM 646 CB VAL A 41 -3.152 25.766 -10.029 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.721 24.879 -8.840 1.00 0.00 C ATOM 648 CG2 VAL A 41 -1.935 26.108 -10.929 1.00 0.00 C ATOM 0 H VAL A 41 -4.302 26.932 -11.941 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.896 24.224 -11.376 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.550 26.690 -9.609 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.926 25.376 -8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.574 24.713 -8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.359 23.921 -9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.150 26.561 -10.323 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.556 25.196 -11.390 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.243 26.807 -11.707 1.00 0.00 H new ATOM 658 N LYS A 42 -6.183 25.618 -9.402 1.00 0.00 N ATOM 659 CA LYS A 42 -7.314 25.366 -8.485 1.00 0.00 C ATOM 660 C LYS A 42 -8.530 24.827 -9.277 1.00 0.00 C ATOM 661 O LYS A 42 -9.322 24.034 -8.756 1.00 0.00 O ATOM 662 CB LYS A 42 -7.631 26.676 -7.694 1.00 0.00 C ATOM 663 CG LYS A 42 -8.411 26.500 -6.357 1.00 0.00 C ATOM 664 CD LYS A 42 -9.933 26.276 -6.520 1.00 0.00 C ATOM 665 CE LYS A 42 -10.635 27.434 -7.255 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.470 28.731 -6.550 1.00 0.00 N ATOM 0 H LYS A 42 -5.989 26.608 -9.550 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.055 24.598 -7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.690 27.182 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.207 27.337 -8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.989 25.654 -5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.252 27.385 -5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.102 25.349 -7.068 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.384 26.151 -5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.232 27.518 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.697 27.209 -7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.015 29.466 -7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.816 28.642 -5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.464 28.994 -6.539 1.00 0.00 H new ATOM 680 N ALA A 43 -8.648 25.249 -10.545 1.00 0.00 N ATOM 681 CA ALA A 43 -9.716 24.792 -11.459 1.00 0.00 C ATOM 682 C ALA A 43 -9.587 23.283 -11.780 1.00 0.00 C ATOM 683 O ALA A 43 -10.586 22.544 -11.775 1.00 0.00 O ATOM 684 CB ALA A 43 -9.688 25.627 -12.744 1.00 0.00 C ATOM 0 H ALA A 43 -8.006 25.918 -10.970 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.676 24.933 -10.961 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.476 25.288 -13.416 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.847 26.677 -12.499 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.720 25.511 -13.232 1.00 0.00 H new ATOM 690 N VAL A 44 -8.332 22.846 -12.047 1.00 0.00 N ATOM 691 CA VAL A 44 -7.995 21.426 -12.296 1.00 0.00 C ATOM 692 C VAL A 44 -8.309 20.601 -11.049 1.00 0.00 C ATOM 693 O VAL A 44 -8.920 19.550 -11.150 1.00 0.00 O ATOM 694 CB VAL A 44 -6.481 21.233 -12.720 1.00 0.00 C ATOM 695 CG1 VAL A 44 -6.038 19.751 -12.701 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.227 21.818 -14.119 1.00 0.00 C ATOM 0 H VAL A 44 -7.526 23.469 -12.095 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.604 21.080 -13.131 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.888 21.769 -11.979 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.992 19.680 -13.000 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.156 19.349 -11.695 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.653 19.178 -13.395 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.181 21.674 -14.389 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.862 21.312 -14.846 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.457 22.883 -14.115 1.00 0.00 H new ATOM 706 N TYR A 45 -7.908 21.130 -9.878 1.00 0.00 N ATOM 707 CA TYR A 45 -8.216 20.534 -8.560 1.00 0.00 C ATOM 708 C TYR A 45 -9.723 20.239 -8.408 1.00 0.00 C ATOM 709 O TYR A 45 -10.094 19.108 -8.099 1.00 0.00 O ATOM 710 CB TYR A 45 -7.714 21.477 -7.438 1.00 0.00 C ATOM 711 CG TYR A 45 -8.310 21.239 -6.043 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.807 20.257 -5.183 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.385 22.011 -5.585 1.00 0.00 C ATOM 714 CE1 TYR A 45 -8.359 20.055 -3.929 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.936 21.809 -4.342 1.00 0.00 C ATOM 716 CZ TYR A 45 -9.422 20.836 -3.517 1.00 0.00 C ATOM 717 OH TYR A 45 -9.990 20.635 -2.280 1.00 0.00 O ATOM 0 H TYR A 45 -7.358 21.987 -9.817 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.698 19.578 -8.480 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.630 21.383 -7.369 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.927 22.505 -7.732 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.975 19.647 -5.502 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.790 22.783 -6.223 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.961 19.292 -3.277 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.770 22.412 -4.014 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.725 21.271 -2.150 1.00 0.00 H new ATOM 727 N LEU A 46 -10.572 21.264 -8.652 1.00 0.00 N ATOM 728 CA LEU A 46 -12.046 21.143 -8.519 1.00 0.00 C ATOM 729 C LEU A 46 -12.590 20.046 -9.443 1.00 0.00 C ATOM 730 O LEU A 46 -13.407 19.216 -9.028 1.00 0.00 O ATOM 731 CB LEU A 46 -12.755 22.490 -8.828 1.00 0.00 C ATOM 732 CG LEU A 46 -12.485 23.653 -7.826 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.236 24.929 -8.251 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.839 23.248 -6.375 1.00 0.00 C ATOM 0 H LEU A 46 -10.261 22.190 -8.944 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.257 20.872 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.452 22.817 -9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.830 22.311 -8.865 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.417 23.869 -7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.032 25.726 -7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.901 25.235 -9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.307 24.729 -8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.638 24.084 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.895 22.983 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.234 22.391 -6.078 1.00 0.00 H new ATOM 746 N PHE A 47 -12.099 20.044 -10.693 1.00 0.00 N ATOM 747 CA PHE A 47 -12.448 19.035 -11.702 1.00 0.00 C ATOM 748 C PHE A 47 -12.035 17.610 -11.242 1.00 0.00 C ATOM 749 O PHE A 47 -12.803 16.664 -11.395 1.00 0.00 O ATOM 750 CB PHE A 47 -11.800 19.398 -13.076 1.00 0.00 C ATOM 751 CG PHE A 47 -11.697 18.225 -14.051 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.839 17.650 -14.615 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.460 17.650 -14.344 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.736 16.558 -15.457 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.362 16.559 -15.174 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.502 16.004 -15.726 1.00 0.00 C ATOM 0 H PHE A 47 -11.444 20.748 -11.033 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.531 19.033 -11.824 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.384 20.192 -13.541 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.801 19.798 -12.900 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.812 18.063 -14.391 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.564 18.070 -13.911 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.624 16.138 -15.905 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.394 16.135 -15.395 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.426 15.138 -16.367 1.00 0.00 H new ATOM 766 N LEU A 48 -10.817 17.476 -10.699 1.00 0.00 N ATOM 767 CA LEU A 48 -10.266 16.175 -10.273 1.00 0.00 C ATOM 768 C LEU A 48 -11.015 15.608 -9.044 1.00 0.00 C ATOM 769 O LEU A 48 -11.270 14.413 -8.987 1.00 0.00 O ATOM 770 CB LEU A 48 -8.748 16.275 -9.974 1.00 0.00 C ATOM 771 CG LEU A 48 -7.806 16.604 -11.173 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.334 16.598 -10.724 1.00 0.00 C ATOM 773 CD2 LEU A 48 -8.030 15.654 -12.369 1.00 0.00 C ATOM 0 H LEU A 48 -10.185 18.261 -10.542 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.411 15.485 -11.104 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.604 17.040 -9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.426 15.328 -9.541 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.057 17.607 -11.518 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.693 16.830 -11.575 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.188 17.347 -9.945 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.077 15.613 -10.333 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.352 15.922 -13.179 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.837 14.627 -12.059 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.060 15.741 -12.715 1.00 0.00 H new ATOM 785 N VAL A 49 -11.367 16.469 -8.073 1.00 0.00 N ATOM 786 CA VAL A 49 -12.128 16.050 -6.871 1.00 0.00 C ATOM 787 C VAL A 49 -13.558 15.628 -7.292 1.00 0.00 C ATOM 788 O VAL A 49 -14.115 14.645 -6.780 1.00 0.00 O ATOM 789 CB VAL A 49 -12.200 17.181 -5.772 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.965 16.690 -4.519 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.788 17.675 -5.377 1.00 0.00 C ATOM 0 H VAL A 49 -11.138 17.463 -8.093 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.600 15.208 -6.424 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.745 18.020 -6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.000 17.488 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.981 16.410 -4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.454 15.825 -4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.874 18.453 -4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.209 16.842 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.285 18.078 -6.256 1.00 0.00 H new ATOM 801 N ASP A 50 -14.110 16.376 -8.270 1.00 0.00 N ATOM 802 CA ASP A 50 -15.413 16.079 -8.912 1.00 0.00 C ATOM 803 C ASP A 50 -15.369 14.713 -9.617 1.00 0.00 C ATOM 804 O ASP A 50 -16.289 13.898 -9.493 1.00 0.00 O ATOM 805 CB ASP A 50 -15.751 17.199 -9.934 1.00 0.00 C ATOM 806 CG ASP A 50 -17.080 16.998 -10.691 1.00 0.00 C ATOM 807 OD1 ASP A 50 -18.143 17.401 -10.166 1.00 0.00 O ATOM 808 OD2 ASP A 50 -17.065 16.463 -11.825 1.00 0.00 O ATOM 0 H ASP A 50 -13.661 17.213 -8.642 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.187 16.042 -8.145 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.788 18.153 -9.408 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.941 17.267 -10.660 1.00 0.00 H new ATOM 813 N ALA A 51 -14.254 14.467 -10.314 1.00 0.00 N ATOM 814 CA ALA A 51 -14.029 13.238 -11.095 1.00 0.00 C ATOM 815 C ALA A 51 -13.483 12.096 -10.208 1.00 0.00 C ATOM 816 O ALA A 51 -13.160 11.014 -10.718 1.00 0.00 O ATOM 817 CB ALA A 51 -13.064 13.547 -12.250 1.00 0.00 C ATOM 0 H ALA A 51 -13.472 15.121 -10.354 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.982 12.897 -11.500 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.892 12.642 -12.833 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.498 14.315 -12.891 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.116 13.904 -11.847 1.00 0.00 H new ATOM 823 N LYS A 52 -13.358 12.371 -8.879 1.00 0.00 N ATOM 824 CA LYS A 52 -12.915 11.396 -7.849 1.00 0.00 C ATOM 825 C LYS A 52 -11.473 10.893 -8.100 1.00 0.00 C ATOM 826 O LYS A 52 -11.080 9.821 -7.636 1.00 0.00 O ATOM 827 CB LYS A 52 -13.943 10.236 -7.724 1.00 0.00 C ATOM 828 CG LYS A 52 -15.372 10.732 -7.405 1.00 0.00 C ATOM 829 CD LYS A 52 -16.404 9.591 -7.296 1.00 0.00 C ATOM 830 CE LYS A 52 -17.826 10.110 -7.022 1.00 0.00 C ATOM 831 NZ LYS A 52 -17.914 10.868 -5.742 1.00 0.00 N ATOM 0 H LYS A 52 -13.566 13.291 -8.491 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.881 11.910 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.960 9.670 -8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.618 9.552 -6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.355 11.288 -6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.690 11.427 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.403 9.014 -8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.108 8.912 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.141 10.752 -7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.518 9.268 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.910 11.081 -5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.512 10.296 -4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.381 11.757 -5.828 1.00 0.00 H new ATOM 845 N GLN A 53 -10.699 11.709 -8.827 1.00 0.00 N ATOM 846 CA GLN A 53 -9.270 11.493 -9.088 1.00 0.00 C ATOM 847 C GLN A 53 -8.442 11.735 -7.810 1.00 0.00 C ATOM 848 O GLN A 53 -7.542 10.952 -7.480 1.00 0.00 O ATOM 849 CB GLN A 53 -8.807 12.449 -10.223 1.00 0.00 C ATOM 850 CG GLN A 53 -9.578 12.290 -11.551 1.00 0.00 C ATOM 851 CD GLN A 53 -9.394 10.921 -12.210 1.00 0.00 C ATOM 852 OE1 GLN A 53 -8.336 10.300 -12.097 1.00 0.00 O ATOM 853 NE2 GLN A 53 -10.427 10.433 -12.884 1.00 0.00 N ATOM 0 H GLN A 53 -11.058 12.559 -9.261 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.115 10.460 -9.399 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.911 13.478 -9.879 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.747 12.282 -10.411 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.640 12.455 -11.366 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.251 13.064 -12.245 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.289 10.974 -12.958 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.360 9.517 -13.328 1.00 0.00 H new ATOM 862 N ILE A 54 -8.764 12.833 -7.092 1.00 0.00 N ATOM 863 CA ILE A 54 -8.110 13.197 -5.812 1.00 0.00 C ATOM 864 C ILE A 54 -9.158 13.504 -4.734 1.00 0.00 C ATOM 865 O ILE A 54 -10.329 13.766 -5.036 1.00 0.00 O ATOM 866 CB ILE A 54 -7.146 14.448 -5.944 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.908 15.687 -6.509 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.917 14.110 -6.795 1.00 0.00 C ATOM 869 CD1 ILE A 54 -7.076 16.953 -6.671 1.00 0.00 C ATOM 0 H ILE A 54 -9.485 13.494 -7.382 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.510 12.332 -5.528 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.793 14.706 -4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.327 15.422 -7.480 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.747 15.907 -5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.273 14.986 -6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.366 13.293 -6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.237 13.810 -7.793 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.702 17.751 -7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.678 17.254 -5.702 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.251 16.761 -7.358 1.00 0.00 H new ATOM 881 N ALA A 55 -8.695 13.474 -3.477 1.00 0.00 N ATOM 882 CA ALA A 55 -9.464 13.887 -2.301 1.00 0.00 C ATOM 883 C ALA A 55 -9.334 15.418 -2.123 1.00 0.00 C ATOM 884 O ALA A 55 -8.321 15.997 -2.540 1.00 0.00 O ATOM 885 CB ALA A 55 -8.949 13.137 -1.053 1.00 0.00 C ATOM 0 H ALA A 55 -7.754 13.154 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.517 13.639 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.523 13.447 -0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.064 12.063 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.896 13.371 -0.896 1.00 0.00 H new ATOM 891 N PRO A 56 -10.343 16.108 -1.521 1.00 0.00 N ATOM 892 CA PRO A 56 -10.267 17.560 -1.278 1.00 0.00 C ATOM 893 C PRO A 56 -9.370 17.916 -0.075 1.00 0.00 C ATOM 894 O PRO A 56 -9.123 17.089 0.816 1.00 0.00 O ATOM 895 CB PRO A 56 -11.739 17.939 -1.012 1.00 0.00 C ATOM 896 CG PRO A 56 -12.313 16.715 -0.364 1.00 0.00 C ATOM 897 CD PRO A 56 -11.643 15.542 -1.050 1.00 0.00 C ATOM 0 HA PRO A 56 -9.818 18.099 -2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.816 18.810 -0.361 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.262 18.185 -1.936 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.114 16.709 0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.395 16.676 -0.488 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.493 14.709 -0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.242 15.167 -1.880 1.00 0.00 H new ATOM 905 N LEU A 57 -8.857 19.144 -0.092 1.00 0.00 N ATOM 906 CA LEU A 57 -8.166 19.753 1.045 1.00 0.00 C ATOM 907 C LEU A 57 -9.201 20.397 1.989 1.00 0.00 C ATOM 908 O LEU A 57 -10.219 20.920 1.508 1.00 0.00 O ATOM 909 CB LEU A 57 -7.194 20.839 0.522 1.00 0.00 C ATOM 910 CG LEU A 57 -6.048 20.339 -0.411 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.408 21.510 -1.174 1.00 0.00 C ATOM 912 CD2 LEU A 57 -4.979 19.553 0.386 1.00 0.00 C ATOM 0 H LEU A 57 -8.910 19.754 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.607 18.992 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.774 21.588 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.745 21.340 1.380 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.489 19.659 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.612 21.134 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.165 22.004 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.993 22.224 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.194 19.218 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.547 20.199 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.442 18.688 0.861 1.00 0.00 H new ATOM 924 N PRO A 58 -8.976 20.370 3.343 1.00 0.00 N ATOM 925 CA PRO A 58 -9.779 21.185 4.289 1.00 0.00 C ATOM 926 C PRO A 58 -9.591 22.696 4.019 1.00 0.00 C ATOM 927 O PRO A 58 -8.622 23.096 3.368 1.00 0.00 O ATOM 928 CB PRO A 58 -9.233 20.769 5.682 1.00 0.00 C ATOM 929 CG PRO A 58 -7.873 20.202 5.409 1.00 0.00 C ATOM 930 CD PRO A 58 -7.972 19.537 4.055 1.00 0.00 C ATOM 0 HA PRO A 58 -10.852 21.015 4.199 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.177 21.624 6.356 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.881 20.032 6.156 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.115 20.986 5.406 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.586 19.484 6.178 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.013 19.532 3.537 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.295 18.499 4.138 1.00 0.00 H new ATOM 938 N ASP A 59 -10.519 23.520 4.531 1.00 0.00 N ATOM 939 CA ASP A 59 -10.548 24.983 4.284 1.00 0.00 C ATOM 940 C ASP A 59 -9.224 25.678 4.676 1.00 0.00 C ATOM 941 O ASP A 59 -8.756 26.582 3.975 1.00 0.00 O ATOM 942 CB ASP A 59 -11.735 25.618 5.044 1.00 0.00 C ATOM 943 CG ASP A 59 -11.844 27.148 4.871 1.00 0.00 C ATOM 944 OD1 ASP A 59 -12.229 27.605 3.773 1.00 0.00 O ATOM 945 OD2 ASP A 59 -11.542 27.902 5.828 1.00 0.00 O ATOM 0 H ASP A 59 -11.277 23.195 5.132 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.675 25.131 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.661 25.157 4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.638 25.388 6.105 1.00 0.00 H new ATOM 950 N SER A 60 -8.631 25.221 5.788 1.00 0.00 N ATOM 951 CA SER A 60 -7.337 25.723 6.290 1.00 0.00 C ATOM 952 C SER A 60 -6.188 25.407 5.301 1.00 0.00 C ATOM 953 O SER A 60 -5.266 26.213 5.130 1.00 0.00 O ATOM 954 CB SER A 60 -7.037 25.103 7.673 1.00 0.00 C ATOM 955 OG SER A 60 -5.815 25.582 8.215 1.00 0.00 O ATOM 0 H SER A 60 -9.036 24.488 6.371 1.00 0.00 H new ATOM 0 HA SER A 60 -7.405 26.807 6.386 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.853 25.333 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.993 24.018 7.582 1.00 0.00 H new ATOM 0 HG SER A 60 -5.661 25.168 9.090 1.00 0.00 H new ATOM 961 N LYS A 61 -6.269 24.234 4.640 1.00 0.00 N ATOM 962 CA LYS A 61 -5.255 23.781 3.660 1.00 0.00 C ATOM 963 C LYS A 61 -5.687 24.091 2.222 1.00 0.00 C ATOM 964 O LYS A 61 -5.000 23.709 1.274 1.00 0.00 O ATOM 965 CB LYS A 61 -4.987 22.260 3.838 1.00 0.00 C ATOM 966 CG LYS A 61 -4.404 21.899 5.219 1.00 0.00 C ATOM 967 CD LYS A 61 -3.027 22.561 5.471 1.00 0.00 C ATOM 968 CE LYS A 61 -2.596 22.517 6.942 1.00 0.00 C ATOM 969 NZ LYS A 61 -1.297 23.206 7.154 1.00 0.00 N ATOM 0 H LYS A 61 -7.036 23.574 4.769 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.331 24.328 3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.919 21.715 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.298 21.927 3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.101 22.210 5.997 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.303 20.816 5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.274 22.060 4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.064 23.599 5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.362 22.986 7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.515 21.480 7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.038 23.156 8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.561 22.743 6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.382 24.202 6.867 1.00 0.00 H new ATOM 983 N LEU A 62 -6.815 24.801 2.062 1.00 0.00 N ATOM 984 CA LEU A 62 -7.317 25.205 0.737 1.00 0.00 C ATOM 985 C LEU A 62 -6.592 26.500 0.328 1.00 0.00 C ATOM 986 O LEU A 62 -7.120 27.610 0.453 1.00 0.00 O ATOM 987 CB LEU A 62 -8.882 25.356 0.748 1.00 0.00 C ATOM 988 CG LEU A 62 -9.638 25.035 -0.586 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.312 26.026 -1.721 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.376 23.582 -1.021 1.00 0.00 C ATOM 0 H LEU A 62 -7.400 25.109 2.838 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.104 24.436 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.279 24.706 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.121 26.380 1.035 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.702 25.153 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.867 25.748 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.595 27.034 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.243 25.997 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.910 23.378 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.307 23.436 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.725 22.901 -0.245 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.337 26.315 -0.089 1.00 0.00 N ATOM 1003 CA ASP A 63 -4.445 27.382 -0.575 1.00 0.00 C ATOM 1004 C ASP A 63 -3.787 26.893 -1.863 1.00 0.00 C ATOM 1005 O ASP A 63 -3.521 25.706 -1.979 1.00 0.00 O ATOM 1006 CB ASP A 63 -3.365 27.720 0.480 1.00 0.00 C ATOM 1007 CG ASP A 63 -2.403 28.842 0.037 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -1.364 28.546 -0.601 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -2.684 30.023 0.311 1.00 0.00 O ATOM 0 H ASP A 63 -4.897 25.395 -0.100 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.020 28.289 -0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.855 28.017 1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.787 26.822 0.698 1.00 0.00 H new ATOM 1014 N GLY A 64 -3.479 27.824 -2.784 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.964 27.497 -4.121 1.00 0.00 C ATOM 1016 C GLY A 64 -1.730 26.603 -4.147 1.00 0.00 C ATOM 1017 O GLY A 64 -1.641 25.704 -4.977 1.00 0.00 O ATOM 0 H GLY A 64 -3.581 28.825 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.757 27.009 -4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.729 28.427 -4.638 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.806 26.827 -3.206 1.00 0.00 N ATOM 1022 CA ALA A 65 0.440 26.045 -3.094 1.00 0.00 C ATOM 1023 C ALA A 65 0.170 24.612 -2.564 1.00 0.00 C ATOM 1024 O ALA A 65 0.929 23.679 -2.850 1.00 0.00 O ATOM 1025 CB ALA A 65 1.430 26.790 -2.192 1.00 0.00 C ATOM 0 H ALA A 65 -0.897 27.555 -2.498 1.00 0.00 H new ATOM 0 HA ALA A 65 0.874 25.937 -4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.351 26.213 -2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.651 27.766 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.993 26.921 -1.202 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.923 24.456 -1.790 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.361 23.146 -1.253 1.00 0.00 C ATOM 1033 C ASN A 66 -2.187 22.378 -2.308 1.00 0.00 C ATOM 1034 O ASN A 66 -2.171 21.137 -2.350 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.182 23.342 0.047 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.411 24.058 1.165 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -0.190 23.937 1.278 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -2.126 24.813 1.996 1.00 0.00 N ATOM 0 H ASN A 66 -1.528 25.231 -1.518 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.476 22.556 -1.015 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.081 23.913 -0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.508 22.367 0.410 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.664 25.314 2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.136 24.891 1.873 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.922 23.141 -3.146 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.630 22.624 -4.333 1.00 0.00 C ATOM 1047 C ILE A 67 -2.611 21.939 -5.267 1.00 0.00 C ATOM 1048 O ILE A 67 -2.843 20.834 -5.775 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.347 23.797 -5.115 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.424 24.526 -4.243 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.949 23.303 -6.443 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.646 23.709 -3.880 1.00 0.00 C ATOM 0 H ILE A 67 -3.040 24.145 -3.014 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.387 21.910 -4.008 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.577 24.532 -5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.950 24.863 -3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.753 25.418 -4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.434 24.135 -6.954 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.157 22.901 -7.074 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.683 22.523 -6.242 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.322 24.314 -3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.156 23.393 -4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.341 22.830 -3.312 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.466 22.623 -5.432 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.330 22.158 -6.238 1.00 0.00 C ATOM 1066 C LYS A 68 0.200 20.794 -5.764 1.00 0.00 C ATOM 1067 O LYS A 68 0.600 19.962 -6.583 1.00 0.00 O ATOM 1068 CB LYS A 68 0.796 23.225 -6.221 1.00 0.00 C ATOM 1069 CG LYS A 68 0.424 24.501 -6.995 1.00 0.00 C ATOM 1070 CD LYS A 68 1.546 25.549 -7.048 1.00 0.00 C ATOM 1071 CE LYS A 68 1.103 26.819 -7.795 1.00 0.00 C ATOM 1072 NZ LYS A 68 2.192 27.816 -7.897 1.00 0.00 N ATOM 0 H LYS A 68 -1.304 23.532 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.680 22.019 -7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.026 23.487 -5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.702 22.797 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.147 24.228 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.456 24.949 -6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.848 25.810 -6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.419 25.123 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.764 26.550 -8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.252 27.264 -7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.943 28.531 -8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.326 28.279 -6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.073 27.340 -8.177 1.00 0.00 H new ATOM 1086 N HIS A 69 0.161 20.569 -4.442 1.00 0.00 N ATOM 1087 CA HIS A 69 0.606 19.303 -3.835 1.00 0.00 C ATOM 1088 C HIS A 69 -0.320 18.141 -4.279 1.00 0.00 C ATOM 1089 O HIS A 69 0.160 17.086 -4.706 1.00 0.00 O ATOM 1090 CB HIS A 69 0.662 19.438 -2.289 1.00 0.00 C ATOM 1091 CG HIS A 69 1.477 18.364 -1.615 1.00 0.00 C ATOM 1092 ND1 HIS A 69 2.849 18.409 -1.558 1.00 0.00 N ATOM 1093 CD2 HIS A 69 1.125 17.214 -0.999 1.00 0.00 C ATOM 1094 CE1 HIS A 69 3.302 17.344 -0.939 1.00 0.00 C ATOM 1095 NE2 HIS A 69 2.277 16.599 -0.589 1.00 0.00 N ATOM 0 H HIS A 69 -0.177 21.254 -3.766 1.00 0.00 H new ATOM 0 HA HIS A 69 1.613 19.073 -4.182 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.079 20.412 -2.033 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.354 19.412 -1.894 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.428 19.157 -1.939 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.119 16.847 -0.856 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.341 17.118 -0.749 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.649 18.380 -4.215 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.677 17.418 -4.695 1.00 0.00 C ATOM 1106 C ARG A 70 -2.428 17.025 -6.166 1.00 0.00 C ATOM 1107 O ARG A 70 -2.372 15.834 -6.500 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.112 18.016 -4.561 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.711 18.013 -3.140 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.867 16.589 -2.562 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.770 16.560 -1.386 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.549 15.894 -0.240 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.382 15.295 -0.013 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.486 15.871 0.699 1.00 0.00 N ATOM 0 H ARG A 70 -2.042 19.240 -3.832 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.600 16.528 -4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.092 19.044 -4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.780 17.459 -5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.073 18.601 -2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.685 18.501 -3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.257 15.926 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.888 16.205 -2.276 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.637 17.094 -1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.642 15.338 -0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.228 14.793 0.861 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.370 16.358 0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.322 15.367 1.570 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.253 18.055 -7.016 1.00 0.00 N ATOM 1129 CA LEU A 71 -2.061 17.886 -8.469 1.00 0.00 C ATOM 1130 C LEU A 71 -0.765 17.119 -8.791 1.00 0.00 C ATOM 1131 O LEU A 71 -0.738 16.292 -9.704 1.00 0.00 O ATOM 1132 CB LEU A 71 -2.037 19.261 -9.184 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.286 20.177 -8.988 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.218 21.400 -9.917 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.611 19.405 -9.168 1.00 0.00 C ATOM 0 H LEU A 71 -2.241 19.029 -6.714 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.905 17.301 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.158 19.807 -8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.908 19.087 -10.252 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.269 20.532 -7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.099 22.024 -9.763 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.321 21.977 -9.693 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.186 21.067 -10.955 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.451 20.084 -9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.654 18.986 -10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.665 18.599 -8.436 1.00 0.00 H new ATOM 1147 N ALA A 72 0.296 17.407 -8.012 1.00 0.00 N ATOM 1148 CA ALA A 72 1.642 16.843 -8.227 1.00 0.00 C ATOM 1149 C ALA A 72 1.679 15.337 -7.958 1.00 0.00 C ATOM 1150 O ALA A 72 2.205 14.571 -8.768 1.00 0.00 O ATOM 1151 CB ALA A 72 2.661 17.554 -7.341 1.00 0.00 C ATOM 0 H ALA A 72 0.243 18.039 -7.214 1.00 0.00 H new ATOM 0 HA ALA A 72 1.898 17.001 -9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.650 17.128 -7.510 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.677 18.616 -7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.385 17.426 -6.294 1.00 0.00 H new ATOM 1157 N LEU A 73 1.120 14.918 -6.807 1.00 0.00 N ATOM 1158 CA LEU A 73 1.068 13.488 -6.435 1.00 0.00 C ATOM 1159 C LEU A 73 0.057 12.719 -7.302 1.00 0.00 C ATOM 1160 O LEU A 73 0.246 11.520 -7.549 1.00 0.00 O ATOM 1161 CB LEU A 73 0.769 13.283 -4.931 1.00 0.00 C ATOM 1162 CG LEU A 73 1.967 13.560 -3.967 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.230 15.063 -3.778 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.769 12.839 -2.625 1.00 0.00 C ATOM 0 H LEU A 73 0.700 15.544 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 73 2.061 13.081 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.059 13.934 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.433 12.257 -4.781 1.00 0.00 H new ATOM 0 HG LEU A 73 2.862 13.151 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.072 15.203 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.462 15.516 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.343 15.538 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.616 13.047 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.852 13.192 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.698 11.765 -2.796 1.00 0.00 H new ATOM 1176 N TRP A 74 -1.009 13.419 -7.758 1.00 0.00 N ATOM 1177 CA TRP A 74 -1.993 12.841 -8.693 1.00 0.00 C ATOM 1178 C TRP A 74 -1.307 12.436 -10.003 1.00 0.00 C ATOM 1179 O TRP A 74 -1.404 11.289 -10.438 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.145 13.835 -9.006 1.00 0.00 C ATOM 1181 CG TRP A 74 -4.098 13.327 -10.075 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -5.028 12.334 -9.946 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.178 13.768 -11.441 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.666 12.131 -11.140 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -5.168 12.999 -12.068 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.502 14.742 -12.184 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.504 13.167 -13.405 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.837 14.912 -13.513 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.829 14.128 -14.112 1.00 0.00 C ATOM 0 H TRP A 74 -1.206 14.384 -7.491 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.420 11.962 -8.210 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.705 14.031 -8.092 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.719 14.785 -9.329 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.230 11.789 -9.036 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.397 11.441 -11.309 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.734 15.349 -11.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.269 12.563 -13.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.326 15.661 -14.099 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.068 14.283 -15.154 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.623 13.411 -10.617 1.00 0.00 N ATOM 1201 CA ILE A 75 -0.010 13.238 -11.934 1.00 0.00 C ATOM 1202 C ILE A 75 1.248 12.359 -11.836 1.00 0.00 C ATOM 1203 O ILE A 75 1.618 11.714 -12.803 1.00 0.00 O ATOM 1204 CB ILE A 75 0.313 14.618 -12.611 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.666 14.441 -14.119 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.442 15.350 -11.867 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.422 13.802 -14.968 1.00 0.00 C ATOM 0 H ILE A 75 -0.481 14.337 -10.214 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.733 12.729 -12.571 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.585 15.232 -12.549 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.904 15.419 -14.537 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.568 13.834 -14.196 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.644 16.302 -12.358 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.140 15.531 -10.835 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.343 14.737 -11.879 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.079 13.723 -16.000 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.646 12.807 -14.583 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.321 14.417 -14.930 1.00 0.00 H new ATOM 1219 N HIS A 76 1.886 12.319 -10.649 1.00 0.00 N ATOM 1220 CA HIS A 76 3.027 11.415 -10.396 1.00 0.00 C ATOM 1221 C HIS A 76 2.518 9.958 -10.367 1.00 0.00 C ATOM 1222 O HIS A 76 3.177 9.041 -10.861 1.00 0.00 O ATOM 1223 CB HIS A 76 3.763 11.794 -9.076 1.00 0.00 C ATOM 1224 CG HIS A 76 5.174 11.272 -8.987 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.689 10.660 -7.866 1.00 0.00 N ATOM 1226 CD2 HIS A 76 6.189 11.305 -9.890 1.00 0.00 C ATOM 1227 CE1 HIS A 76 6.950 10.342 -8.082 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.282 10.722 -9.300 1.00 0.00 N ATOM 0 H HIS A 76 1.631 12.901 -9.851 1.00 0.00 H new ATOM 0 HA HIS A 76 3.756 11.518 -11.200 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.782 12.880 -8.982 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.191 11.411 -8.231 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.144 11.715 -10.888 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.604 9.851 -7.377 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.198 10.603 -9.732 1.00 0.00 H new ATOM 1237 N ALA A 77 1.305 9.782 -9.809 1.00 0.00 N ATOM 1238 CA ALA A 77 0.572 8.505 -9.840 1.00 0.00 C ATOM 1239 C ALA A 77 0.017 8.200 -11.254 1.00 0.00 C ATOM 1240 O ALA A 77 -0.083 7.031 -11.650 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.557 8.527 -8.802 1.00 0.00 C ATOM 0 H ALA A 77 0.805 10.526 -9.322 1.00 0.00 H new ATOM 0 HA ALA A 77 1.269 7.705 -9.589 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.095 7.580 -8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.135 8.675 -7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.244 9.342 -9.029 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.331 9.254 -12.009 1.00 0.00 N ATOM 1248 CA ALA A 78 -0.909 9.125 -13.366 1.00 0.00 C ATOM 1249 C ALA A 78 0.185 8.843 -14.420 1.00 0.00 C ATOM 1250 O ALA A 78 -0.098 8.262 -15.474 1.00 0.00 O ATOM 1251 CB ALA A 78 -1.716 10.383 -13.728 1.00 0.00 C ATOM 0 H ALA A 78 -0.222 10.220 -11.701 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.587 8.271 -13.365 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.134 10.272 -14.729 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.525 10.516 -13.010 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.062 11.255 -13.703 1.00 0.00 H new ATOM 1257 N LEU A 79 1.428 9.269 -14.128 1.00 0.00 N ATOM 1258 CA LEU A 79 2.607 8.944 -14.945 1.00 0.00 C ATOM 1259 C LEU A 79 3.080 7.519 -14.577 1.00 0.00 C ATOM 1260 O LEU A 79 3.577 7.309 -13.462 1.00 0.00 O ATOM 1261 CB LEU A 79 3.739 9.998 -14.740 1.00 0.00 C ATOM 1262 CG LEU A 79 3.456 11.433 -15.313 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.643 12.393 -15.054 1.00 0.00 C ATOM 1264 CD2 LEU A 79 3.095 11.376 -16.819 1.00 0.00 C ATOM 0 H LEU A 79 1.641 9.849 -13.317 1.00 0.00 H new ATOM 0 HA LEU A 79 2.344 8.973 -16.002 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.936 10.087 -13.672 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.650 9.617 -15.201 1.00 0.00 H new ATOM 0 HG LEU A 79 2.593 11.833 -14.781 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.412 13.376 -15.464 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.814 12.478 -13.981 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.539 12.001 -15.535 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.905 12.385 -17.186 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.923 10.938 -17.375 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.202 10.766 -16.956 1.00 0.00 H new ATOM 1276 N PRO A 80 2.907 6.509 -15.498 1.00 0.00 N ATOM 1277 CA PRO A 80 3.164 5.074 -15.191 1.00 0.00 C ATOM 1278 C PRO A 80 4.656 4.779 -14.916 1.00 0.00 C ATOM 1279 O PRO A 80 4.989 3.891 -14.124 1.00 0.00 O ATOM 1280 CB PRO A 80 2.652 4.341 -16.463 1.00 0.00 C ATOM 1281 CG PRO A 80 2.765 5.355 -17.561 1.00 0.00 C ATOM 1282 CD PRO A 80 2.457 6.686 -16.915 1.00 0.00 C ATOM 0 HA PRO A 80 2.664 4.749 -14.278 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.252 3.457 -16.678 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.622 4.006 -16.339 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.764 5.352 -17.997 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.065 5.139 -18.368 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.990 7.501 -17.405 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.394 6.921 -16.971 1.00 0.00 H new ATOM 1290 N ASP A 81 5.539 5.546 -15.575 1.00 0.00 N ATOM 1291 CA ASP A 81 7.005 5.442 -15.408 1.00 0.00 C ATOM 1292 C ASP A 81 7.495 6.371 -14.281 1.00 0.00 C ATOM 1293 O ASP A 81 8.649 6.264 -13.847 1.00 0.00 O ATOM 1294 CB ASP A 81 7.727 5.802 -16.737 1.00 0.00 C ATOM 1295 CG ASP A 81 7.302 4.915 -17.917 1.00 0.00 C ATOM 1296 OD1 ASP A 81 6.244 5.185 -18.538 1.00 0.00 O ATOM 1297 OD2 ASP A 81 8.015 3.930 -18.229 1.00 0.00 O ATOM 0 H ASP A 81 5.258 6.262 -16.245 1.00 0.00 H new ATOM 0 HA ASP A 81 7.242 4.413 -15.139 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.523 6.844 -16.983 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.804 5.713 -16.593 1.00 0.00 H new ATOM 1302 N ASN A 82 6.594 7.272 -13.824 1.00 0.00 N ATOM 1303 CA ASN A 82 6.879 8.287 -12.787 1.00 0.00 C ATOM 1304 C ASN A 82 7.976 9.249 -13.252 1.00 0.00 C ATOM 1305 O ASN A 82 8.945 9.506 -12.525 1.00 0.00 O ATOM 1306 CB ASN A 82 7.241 7.643 -11.422 1.00 0.00 C ATOM 1307 CG ASN A 82 6.123 6.801 -10.847 1.00 0.00 C ATOM 1308 OD1 ASN A 82 5.231 7.319 -10.193 1.00 0.00 O ATOM 1309 ND2 ASN A 82 6.160 5.492 -11.082 1.00 0.00 N ATOM 0 H ASN A 82 5.636 7.313 -14.171 1.00 0.00 H new ATOM 0 HA ASN A 82 5.964 8.859 -12.635 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.129 7.023 -11.544 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.497 8.430 -10.712 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.428 4.886 -10.711 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.921 5.094 -11.633 1.00 0.00 H new ATOM 1316 N ASP A 83 7.799 9.762 -14.482 1.00 0.00 N ATOM 1317 CA ASP A 83 8.705 10.745 -15.113 1.00 0.00 C ATOM 1318 C ASP A 83 9.011 11.923 -14.145 1.00 0.00 C ATOM 1319 O ASP A 83 8.091 12.408 -13.480 1.00 0.00 O ATOM 1320 CB ASP A 83 8.051 11.242 -16.439 1.00 0.00 C ATOM 1321 CG ASP A 83 8.876 12.305 -17.188 1.00 0.00 C ATOM 1322 OD1 ASP A 83 9.934 11.951 -17.758 1.00 0.00 O ATOM 1323 OD2 ASP A 83 8.462 13.485 -17.244 1.00 0.00 O ATOM 0 H ASP A 83 7.012 9.503 -15.077 1.00 0.00 H new ATOM 0 HA ASP A 83 9.661 10.274 -15.341 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.896 10.387 -17.098 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.067 11.653 -16.214 1.00 0.00 H new ATOM 1328 N PRO A 84 10.313 12.345 -13.979 1.00 0.00 N ATOM 1329 CA PRO A 84 10.692 13.430 -13.032 1.00 0.00 C ATOM 1330 C PRO A 84 10.333 14.841 -13.550 1.00 0.00 C ATOM 1331 O PRO A 84 10.395 15.817 -12.786 1.00 0.00 O ATOM 1332 CB PRO A 84 12.224 13.247 -12.894 1.00 0.00 C ATOM 1333 CG PRO A 84 12.645 12.711 -14.230 1.00 0.00 C ATOM 1334 CD PRO A 84 11.518 11.796 -14.675 1.00 0.00 C ATOM 0 HA PRO A 84 10.154 13.359 -12.087 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.720 14.191 -12.668 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.473 12.555 -12.089 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.800 13.519 -14.945 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.586 12.166 -14.155 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.395 11.811 -15.758 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.707 10.761 -14.390 1.00 0.00 H new ATOM 1342 N LEU A 85 9.939 14.915 -14.839 1.00 0.00 N ATOM 1343 CA LEU A 85 9.693 16.170 -15.564 1.00 0.00 C ATOM 1344 C LEU A 85 10.942 17.071 -15.537 1.00 0.00 C ATOM 1345 O LEU A 85 10.898 18.220 -15.084 1.00 0.00 O ATOM 1346 CB LEU A 85 8.417 16.925 -15.082 1.00 0.00 C ATOM 1347 CG LEU A 85 7.059 16.194 -15.310 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.798 15.117 -14.253 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.912 17.195 -15.380 1.00 0.00 C ATOM 0 H LEU A 85 9.781 14.086 -15.412 1.00 0.00 H new ATOM 0 HA LEU A 85 9.491 15.898 -16.600 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.522 17.130 -14.016 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.377 17.889 -15.589 1.00 0.00 H new ATOM 0 HG LEU A 85 7.122 15.681 -16.270 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.841 14.635 -14.453 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.593 14.372 -14.288 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.774 15.576 -13.264 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.974 16.663 -15.540 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.858 17.753 -14.445 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.082 17.886 -16.206 1.00 0.00 H new ATOM 1361 N LYS A 86 12.063 16.510 -15.989 1.00 0.00 N ATOM 1362 CA LYS A 86 13.315 17.256 -16.149 1.00 0.00 C ATOM 1363 C LYS A 86 13.231 18.155 -17.403 1.00 0.00 C ATOM 1364 O LYS A 86 13.384 19.391 -17.275 1.00 0.00 O ATOM 1365 CB LYS A 86 14.524 16.283 -16.248 1.00 0.00 C ATOM 1366 CG LYS A 86 15.913 16.949 -16.466 1.00 0.00 C ATOM 1367 CD LYS A 86 16.572 17.553 -15.188 1.00 0.00 C ATOM 1368 CE LYS A 86 15.910 18.842 -14.654 1.00 0.00 C ATOM 1369 NZ LYS A 86 15.864 19.932 -15.676 1.00 0.00 N ATOM 1370 OXT LYS A 86 12.968 17.626 -18.505 1.00 0.00 O ATOM 0 H LYS A 86 12.131 15.528 -16.255 1.00 0.00 H new ATOM 0 HA LYS A 86 13.465 17.888 -15.273 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.565 15.691 -15.334 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.342 15.589 -17.069 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.591 16.207 -16.888 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.805 17.741 -17.208 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.554 16.801 -14.399 1.00 0.00 H new ATOM 0 HD3 LYS A 86 17.619 17.764 -15.404 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.896 18.615 -14.324 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.459 19.192 -13.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.821 20.855 -15.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.717 19.888 -16.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.021 19.813 -16.273 1.00 0.00 H new TER 1384 LYS A 86