USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 859 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 105 HIS : no HE2:sc= 1.25 K(o=4.5,f=-5.4!) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 1.9 K(o=4.5,f=-9!) USER MOD Set 1.3: A 111 SER OG : rot 42:sc= 1.36 USER MOD Set 2.1: A 101 GLN : amide:sc= 0.896 K(o=2,f=0.96) USER MOD Set 2.2: A 103 ASN : amide:sc= 1.06 K(o=2,f=0.96) USER MOD Set 3.1: A 27 THR OG1 : rot -161:sc= 1.46 USER MOD Set 3.2: A 31 THR OG1 : rot -177:sc= 1.85 USER MOD Set 4.1: A 19 LYS NZ :NH3+ -162:sc= 2.19 (180deg=0.498) USER MOD Set 4.2: A 37 GLN : amide:sc= 0.847 K(o=3,f=-8.6!) USER MOD Set 5.1: A 10 THR OG1 : rot 170:sc= 0.885 USER MOD Set 5.2: A 46 LYS NZ :NH3+ -168:sc= 3.44 (180deg=1.24) USER MOD Set 5.3: A 68 ASN : amide:sc= 1.76 K(o=6.1,f=-7.1!) USER MOD Set 6.1: A 2 SER OG : rot 129:sc= 1.98 USER MOD Set 6.2: A 7 LYS NZ :NH3+ 156:sc= 3.2 (180deg=2.34) USER MOD Single : A 1 ILE N :NH3+ -172:sc= 2.14 (180deg=1.85) USER MOD Single : A 5 GLN : amide:sc= 0.353 K(o=0.35,f=-3.9!) USER MOD Single : A 9 THR OG1 : rot 56:sc= 0.214 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc=-0.00897 USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 1.45 (180deg=1.04) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 29 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.8!) USER MOD Single : A 38 TYR OH : rot -146:sc= 1.19 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -133:sc= 0.642 USER MOD Single : A 51 SER OG : rot 175:sc= 1.19 USER MOD Single : A 54 SER OG : rot -5:sc= 0.964 USER MOD Single : A 56 ASN : amide:sc= -1.78! C(o=-1.8!,f=-4.9!) USER MOD Single : A 59 THR OG1 : rot -3:sc= 1.13 USER MOD Single : A 66 THR OG1 : rot -160:sc= 1.04 USER MOD Single : A 72 SER OG : rot -63:sc= 1.58 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.865 K(o=0.86,f=-3.3!) USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= 0.879 (180deg=-0.1!) USER MOD Single : A 91 SER OG : rot 1:sc= 1.04 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0.795 K(o=0.8,f=-1.1) USER MOD Single : A 104 HIS : no HD1:sc= -0.396 X(o=-0.4,f=-0.047) USER MOD Single : A 108 LYS NZ :NH3+ -171:sc= 2.4 (180deg=2.24) USER MOD Single : A 109 SER OG : rot -56:sc= 1.01 USER MOD Single : A 112 SER OG : rot 95:sc= 0.922 USER MOD Single : A 115 LYS NZ :NH3+ -145:sc= 1.3 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.857 9.714 13.027 1.00 0.00 N ATOM 2 CA ILE A 1 -0.554 9.301 13.191 1.00 0.00 C ATOM 3 C ILE A 1 -0.654 7.806 12.886 1.00 0.00 C ATOM 4 O ILE A 1 0.037 7.318 11.995 1.00 0.00 O ATOM 5 CB ILE A 1 -1.523 10.121 12.305 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.226 11.640 12.364 1.00 0.00 C ATOM 7 CG2 ILE A 1 -2.976 9.840 12.743 1.00 0.00 C ATOM 8 CD1 ILE A 1 -2.120 12.496 11.457 1.00 0.00 C ATOM 0 H1 ILE A 1 0.973 10.693 13.359 1.00 0.00 H new ATOM 0 H2 ILE A 1 1.470 9.084 13.583 1.00 0.00 H new ATOM 0 H3 ILE A 1 1.121 9.656 12.023 1.00 0.00 H new ATOM 0 HA ILE A 1 -0.860 9.498 14.219 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.380 9.810 11.270 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -1.341 11.981 13.393 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -0.185 11.805 12.088 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -3.661 10.416 12.121 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -3.191 8.777 12.631 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -3.104 10.128 13.786 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -1.844 13.546 11.560 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -1.989 12.187 10.420 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.163 12.365 11.746 1.00 0.00 H new ATOM 22 N SER A 2 -1.495 7.074 13.622 1.00 0.00 N ATOM 23 CA SER A 2 -1.809 5.673 13.337 1.00 0.00 C ATOM 24 C SER A 2 -3.299 5.395 13.537 1.00 0.00 C ATOM 25 O SER A 2 -4.026 6.203 14.112 1.00 0.00 O ATOM 26 CB SER A 2 -0.978 4.749 14.238 1.00 0.00 C ATOM 27 OG SER A 2 -0.517 3.641 13.489 1.00 0.00 O ATOM 0 H SER A 2 -1.981 7.442 14.440 1.00 0.00 H new ATOM 0 HA SER A 2 -1.559 5.475 12.295 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.132 5.296 14.655 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.581 4.406 15.079 1.00 0.00 H new ATOM 0 HG SER A 2 0.449 3.537 13.619 1.00 0.00 H new ATOM 33 N GLU A 3 -3.728 4.219 13.089 1.00 0.00 N ATOM 34 CA GLU A 3 -5.056 3.637 13.271 1.00 0.00 C ATOM 35 C GLU A 3 -4.927 2.182 13.760 1.00 0.00 C ATOM 36 O GLU A 3 -3.824 1.633 13.792 1.00 0.00 O ATOM 37 CB GLU A 3 -5.864 3.775 11.963 1.00 0.00 C ATOM 38 CG GLU A 3 -5.316 2.983 10.761 1.00 0.00 C ATOM 39 CD GLU A 3 -3.933 3.469 10.305 1.00 0.00 C ATOM 40 OE1 GLU A 3 -3.865 4.548 9.670 1.00 0.00 O ATOM 41 OE2 GLU A 3 -2.933 2.805 10.668 1.00 0.00 O ATOM 0 H GLU A 3 -3.116 3.605 12.552 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.608 4.175 14.042 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.888 3.452 12.153 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.907 4.830 11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.255 1.927 11.025 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.016 3.064 9.930 1.00 0.00 H new ATOM 48 N PHE A 4 -6.032 1.536 14.146 1.00 0.00 N ATOM 49 CA PHE A 4 -5.982 0.218 14.793 1.00 0.00 C ATOM 50 C PHE A 4 -6.400 -0.898 13.830 1.00 0.00 C ATOM 51 O PHE A 4 -5.590 -1.749 13.459 1.00 0.00 O ATOM 52 CB PHE A 4 -6.823 0.253 16.080 1.00 0.00 C ATOM 53 CG PHE A 4 -6.186 1.070 17.193 1.00 0.00 C ATOM 54 CD1 PHE A 4 -5.270 0.462 18.072 1.00 0.00 C ATOM 55 CD2 PHE A 4 -6.487 2.439 17.341 1.00 0.00 C ATOM 56 CE1 PHE A 4 -4.659 1.212 19.093 1.00 0.00 C ATOM 57 CE2 PHE A 4 -5.873 3.191 18.360 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.960 2.578 19.236 1.00 0.00 C ATOM 0 H PHE A 4 -6.975 1.904 14.022 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.954 -0.013 15.072 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.806 0.666 15.852 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.979 -0.767 16.431 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.035 -0.586 17.962 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.190 2.912 16.671 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.959 0.739 19.766 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.104 4.240 18.469 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.490 3.156 20.018 1.00 0.00 H new ATOM 68 N GLN A 5 -7.659 -0.863 13.389 1.00 0.00 N ATOM 69 CA GLN A 5 -8.331 -1.873 12.572 1.00 0.00 C ATOM 70 C GLN A 5 -7.576 -2.258 11.288 1.00 0.00 C ATOM 71 O GLN A 5 -7.617 -3.416 10.875 1.00 0.00 O ATOM 72 CB GLN A 5 -9.775 -1.402 12.296 1.00 0.00 C ATOM 73 CG GLN A 5 -9.962 -0.233 11.303 1.00 0.00 C ATOM 74 CD GLN A 5 -9.268 1.084 11.675 1.00 0.00 C ATOM 75 OE1 GLN A 5 -9.057 1.426 12.832 1.00 0.00 O ATOM 76 NE2 GLN A 5 -8.860 1.865 10.693 1.00 0.00 N ATOM 0 H GLN A 5 -8.274 -0.079 13.607 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.349 -2.803 13.140 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.342 -2.255 11.924 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.223 -1.112 13.247 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.596 -0.550 10.326 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.030 -0.040 11.196 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.028 1.595 9.724 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.377 2.738 10.903 1.00 0.00 H new ATOM 85 N LEU A 6 -6.826 -1.318 10.694 1.00 0.00 N ATOM 86 CA LEU A 6 -6.027 -1.533 9.484 1.00 0.00 C ATOM 87 C LEU A 6 -4.986 -2.656 9.641 1.00 0.00 C ATOM 88 O LEU A 6 -4.659 -3.324 8.660 1.00 0.00 O ATOM 89 CB LEU A 6 -5.356 -0.197 9.111 1.00 0.00 C ATOM 90 CG LEU A 6 -4.597 -0.184 7.769 1.00 0.00 C ATOM 91 CD1 LEU A 6 -5.535 -0.388 6.575 1.00 0.00 C ATOM 92 CD2 LEU A 6 -3.873 1.153 7.595 1.00 0.00 C ATOM 0 H LEU A 6 -6.758 -0.365 11.052 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.689 -1.865 8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.122 0.578 9.082 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.659 0.073 9.905 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.885 -1.009 7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.957 -0.372 5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.041 -1.349 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.276 0.411 6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.338 1.156 6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.600 1.965 7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.164 1.292 8.411 1.00 0.00 H new ATOM 104 N LYS A 7 -4.481 -2.899 10.859 1.00 0.00 N ATOM 105 CA LYS A 7 -3.501 -3.959 11.130 1.00 0.00 C ATOM 106 C LYS A 7 -4.135 -5.362 11.235 1.00 0.00 C ATOM 107 O LYS A 7 -3.398 -6.334 11.385 1.00 0.00 O ATOM 108 CB LYS A 7 -2.684 -3.609 12.391 1.00 0.00 C ATOM 109 CG LYS A 7 -1.628 -2.503 12.190 1.00 0.00 C ATOM 110 CD LYS A 7 -2.185 -1.072 12.100 1.00 0.00 C ATOM 111 CE LYS A 7 -1.046 -0.051 12.225 1.00 0.00 C ATOM 112 NZ LYS A 7 -1.576 1.322 12.368 1.00 0.00 N ATOM 0 H LYS A 7 -4.742 -2.363 11.687 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.830 -4.007 10.272 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.371 -3.297 13.177 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.183 -4.510 12.744 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.917 -2.548 13.015 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.071 -2.717 11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.704 -0.935 11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.918 -0.909 12.890 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.426 -0.297 13.087 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.405 -0.107 11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.869 1.919 12.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.784 1.713 11.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.448 1.300 12.935 1.00 0.00 H new ATOM 126 N GLY A 8 -5.471 -5.476 11.132 1.00 0.00 N ATOM 127 CA GLY A 8 -6.266 -6.695 11.321 1.00 0.00 C ATOM 128 C GLY A 8 -5.706 -7.964 10.661 1.00 0.00 C ATOM 129 O GLY A 8 -5.155 -7.930 9.555 1.00 0.00 O ATOM 0 H GLY A 8 -6.055 -4.672 10.901 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.367 -6.878 12.391 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.268 -6.517 10.932 1.00 0.00 H new ATOM 133 N THR A 9 -5.880 -9.099 11.352 1.00 0.00 N ATOM 134 CA THR A 9 -5.283 -10.409 11.056 1.00 0.00 C ATOM 135 C THR A 9 -5.858 -11.076 9.799 1.00 0.00 C ATOM 136 O THR A 9 -6.574 -12.071 9.881 1.00 0.00 O ATOM 137 CB THR A 9 -5.400 -11.354 12.267 1.00 0.00 C ATOM 138 OG1 THR A 9 -6.752 -11.463 12.644 1.00 0.00 O ATOM 139 CG2 THR A 9 -4.584 -10.872 13.468 1.00 0.00 C ATOM 0 H THR A 9 -6.475 -9.129 12.180 1.00 0.00 H new ATOM 0 HA THR A 9 -4.230 -10.216 10.849 1.00 0.00 H new ATOM 0 HB THR A 9 -5.001 -12.322 11.964 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.282 -11.764 11.877 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.702 -11.574 14.293 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.531 -10.810 13.192 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.937 -9.888 13.776 1.00 0.00 H new ATOM 147 N THR A 10 -5.466 -10.568 8.625 1.00 0.00 N ATOM 148 CA THR A 10 -5.519 -11.276 7.332 1.00 0.00 C ATOM 149 C THR A 10 -4.670 -12.556 7.330 1.00 0.00 C ATOM 150 O THR A 10 -4.910 -13.458 6.534 1.00 0.00 O ATOM 151 CB THR A 10 -5.051 -10.365 6.181 1.00 0.00 C ATOM 152 OG1 THR A 10 -3.740 -9.871 6.403 1.00 0.00 O ATOM 153 CG2 THR A 10 -5.978 -9.164 5.990 1.00 0.00 C ATOM 0 H THR A 10 -5.091 -9.623 8.541 1.00 0.00 H new ATOM 0 HA THR A 10 -6.562 -11.554 7.182 1.00 0.00 H new ATOM 0 HB THR A 10 -5.067 -10.988 5.287 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.413 -9.433 5.589 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.611 -8.548 5.169 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.984 -9.514 5.760 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.000 -8.572 6.905 1.00 0.00 H new ATOM 161 N TYR A 11 -3.699 -12.638 8.244 1.00 0.00 N ATOM 162 CA TYR A 11 -3.020 -13.841 8.710 1.00 0.00 C ATOM 163 C TYR A 11 -2.522 -13.590 10.146 1.00 0.00 C ATOM 164 O TYR A 11 -2.695 -12.489 10.679 1.00 0.00 O ATOM 165 CB TYR A 11 -1.863 -14.188 7.760 1.00 0.00 C ATOM 166 CG TYR A 11 -1.584 -15.676 7.669 1.00 0.00 C ATOM 167 CD1 TYR A 11 -2.356 -16.462 6.792 1.00 0.00 C ATOM 168 CD2 TYR A 11 -0.571 -16.276 8.445 1.00 0.00 C ATOM 169 CE1 TYR A 11 -2.102 -17.840 6.668 1.00 0.00 C ATOM 170 CE2 TYR A 11 -0.317 -17.656 8.329 1.00 0.00 C ATOM 171 CZ TYR A 11 -1.075 -18.439 7.429 1.00 0.00 C ATOM 172 OH TYR A 11 -0.818 -19.767 7.288 1.00 0.00 O ATOM 0 H TYR A 11 -3.344 -11.802 8.709 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.701 -14.692 8.716 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.093 -13.808 6.765 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.961 -13.677 8.096 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.145 -16.006 6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.011 -15.676 9.129 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.692 -18.439 5.991 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.456 -18.116 8.927 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.081 -20.022 7.881 1.00 0.00 H new ATOM 182 N GLY A 12 -1.869 -14.582 10.761 1.00 0.00 N ATOM 183 CA GLY A 12 -1.099 -14.382 11.990 1.00 0.00 C ATOM 184 C GLY A 12 0.153 -13.515 11.770 1.00 0.00 C ATOM 185 O GLY A 12 0.677 -13.419 10.655 1.00 0.00 O ATOM 0 H GLY A 12 -1.860 -15.543 10.420 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.735 -13.912 12.740 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.800 -15.351 12.388 1.00 0.00 H new ATOM 189 N VAL A 13 0.644 -12.906 12.858 1.00 0.00 N ATOM 190 CA VAL A 13 1.837 -12.047 12.873 1.00 0.00 C ATOM 191 C VAL A 13 3.131 -12.875 12.844 1.00 0.00 C ATOM 192 O VAL A 13 3.537 -13.475 13.844 1.00 0.00 O ATOM 193 CB VAL A 13 1.781 -11.007 14.014 1.00 0.00 C ATOM 194 CG1 VAL A 13 1.563 -11.579 15.423 1.00 0.00 C ATOM 195 CG2 VAL A 13 3.034 -10.124 14.007 1.00 0.00 C ATOM 0 H VAL A 13 0.211 -12.999 13.777 1.00 0.00 H new ATOM 0 HA VAL A 13 1.844 -11.463 11.953 1.00 0.00 H new ATOM 0 HB VAL A 13 0.890 -10.419 13.796 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.540 -10.764 16.147 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.617 -12.119 15.454 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.378 -12.260 15.669 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.973 -9.399 14.819 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.919 -10.746 14.142 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.103 -9.598 13.055 1.00 0.00 H new ATOM 205 N CYS A 14 3.766 -12.926 11.668 1.00 0.00 N ATOM 206 CA CYS A 14 4.999 -13.665 11.399 1.00 0.00 C ATOM 207 C CYS A 14 5.714 -13.101 10.155 1.00 0.00 C ATOM 208 O CYS A 14 5.122 -12.371 9.360 1.00 0.00 O ATOM 209 CB CYS A 14 4.677 -15.177 11.302 1.00 0.00 C ATOM 210 SG CYS A 14 5.086 -16.071 9.772 1.00 0.00 S ATOM 0 H CYS A 14 3.419 -12.433 10.846 1.00 0.00 H new ATOM 0 HA CYS A 14 5.703 -13.539 12.221 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.193 -15.676 12.122 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.608 -15.297 11.477 1.00 0.00 H new ATOM 215 N SER A 15 6.995 -13.440 9.982 1.00 0.00 N ATOM 216 CA SER A 15 7.778 -13.102 8.782 1.00 0.00 C ATOM 217 C SER A 15 9.073 -13.909 8.704 1.00 0.00 C ATOM 218 O SER A 15 9.369 -14.492 7.664 1.00 0.00 O ATOM 219 CB SER A 15 8.115 -11.607 8.752 1.00 0.00 C ATOM 220 OG SER A 15 8.838 -11.215 9.908 1.00 0.00 O ATOM 0 H SER A 15 7.527 -13.963 10.678 1.00 0.00 H new ATOM 0 HA SER A 15 7.159 -13.354 7.921 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.701 -11.383 7.861 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.195 -11.027 8.682 1.00 0.00 H new ATOM 0 HG SER A 15 9.040 -10.257 9.859 1.00 0.00 H new ATOM 226 N LYS A 16 9.827 -13.960 9.814 1.00 0.00 N ATOM 227 CA LYS A 16 11.087 -14.691 10.018 1.00 0.00 C ATOM 228 C LYS A 16 12.242 -14.177 9.151 1.00 0.00 C ATOM 229 O LYS A 16 13.248 -13.710 9.677 1.00 0.00 O ATOM 230 CB LYS A 16 10.830 -16.203 9.855 1.00 0.00 C ATOM 231 CG LYS A 16 12.014 -17.090 10.272 1.00 0.00 C ATOM 232 CD LYS A 16 11.811 -18.535 9.787 1.00 0.00 C ATOM 233 CE LYS A 16 12.098 -18.646 8.283 1.00 0.00 C ATOM 234 NZ LYS A 16 11.666 -19.946 7.728 1.00 0.00 N ATOM 0 H LYS A 16 9.550 -13.453 10.655 1.00 0.00 H new ATOM 0 HA LYS A 16 11.426 -14.505 11.037 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.958 -16.478 10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.585 -16.409 8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.939 -16.689 9.857 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.120 -17.077 11.357 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.470 -19.205 10.339 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.789 -18.853 9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.587 -17.840 7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.166 -18.514 8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.955 -20.011 6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.108 -20.718 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.631 -20.025 7.794 1.00 0.00 H new ATOM 248 N ALA A 17 12.123 -14.284 7.827 1.00 0.00 N ATOM 249 CA ALA A 17 13.221 -14.103 6.890 1.00 0.00 C ATOM 250 C ALA A 17 13.248 -12.690 6.282 1.00 0.00 C ATOM 251 O ALA A 17 12.870 -12.483 5.130 1.00 0.00 O ATOM 252 CB ALA A 17 13.148 -15.220 5.847 1.00 0.00 C ATOM 0 H ALA A 17 11.238 -14.504 7.371 1.00 0.00 H new ATOM 0 HA ALA A 17 14.173 -14.181 7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.963 -15.105 5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.234 -16.187 6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.195 -15.165 5.322 1.00 0.00 H new ATOM 258 N PHE A 18 13.755 -11.718 7.048 1.00 0.00 N ATOM 259 CA PHE A 18 14.035 -10.359 6.578 1.00 0.00 C ATOM 260 C PHE A 18 15.454 -9.914 6.947 1.00 0.00 C ATOM 261 O PHE A 18 16.032 -10.372 7.931 1.00 0.00 O ATOM 262 CB PHE A 18 13.017 -9.368 7.171 1.00 0.00 C ATOM 263 CG PHE A 18 11.782 -9.115 6.330 1.00 0.00 C ATOM 264 CD1 PHE A 18 11.884 -8.369 5.141 1.00 0.00 C ATOM 265 CD2 PHE A 18 10.522 -9.551 6.771 1.00 0.00 C ATOM 266 CE1 PHE A 18 10.727 -8.025 4.416 1.00 0.00 C ATOM 267 CE2 PHE A 18 9.366 -9.226 6.037 1.00 0.00 C ATOM 268 CZ PHE A 18 9.465 -8.442 4.874 1.00 0.00 C ATOM 0 H PHE A 18 13.986 -11.858 8.031 1.00 0.00 H new ATOM 0 HA PHE A 18 13.950 -10.366 5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.701 -9.740 8.146 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.520 -8.416 7.341 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.855 -8.059 4.783 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.440 -10.137 7.675 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.809 -7.442 3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.401 -9.580 6.368 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.573 -8.161 4.334 1.00 0.00 H new ATOM 278 N LYS A 19 15.969 -8.944 6.184 1.00 0.00 N ATOM 279 CA LYS A 19 17.142 -8.124 6.500 1.00 0.00 C ATOM 280 C LYS A 19 16.933 -6.711 5.927 1.00 0.00 C ATOM 281 O LYS A 19 16.286 -6.558 4.892 1.00 0.00 O ATOM 282 CB LYS A 19 18.383 -8.841 5.927 1.00 0.00 C ATOM 283 CG LYS A 19 19.610 -7.935 5.825 1.00 0.00 C ATOM 284 CD LYS A 19 20.848 -8.621 5.238 1.00 0.00 C ATOM 285 CE LYS A 19 21.911 -7.586 4.834 1.00 0.00 C ATOM 286 NZ LYS A 19 21.413 -6.645 3.798 1.00 0.00 N ATOM 0 H LYS A 19 15.558 -8.698 5.284 1.00 0.00 H new ATOM 0 HA LYS A 19 17.290 -8.006 7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.623 -9.697 6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.144 -9.231 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.360 -7.071 5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.854 -7.558 6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.267 -9.311 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.562 -9.213 4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.221 -7.023 5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.794 -8.103 4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.219 -6.175 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.868 -7.170 3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.803 -5.930 4.243 1.00 0.00 H new ATOM 300 N PHE A 20 17.506 -5.679 6.559 1.00 0.00 N ATOM 301 CA PHE A 20 17.524 -4.316 6.012 1.00 0.00 C ATOM 302 C PHE A 20 18.440 -4.175 4.783 1.00 0.00 C ATOM 303 O PHE A 20 19.492 -4.815 4.676 1.00 0.00 O ATOM 304 CB PHE A 20 17.972 -3.317 7.090 1.00 0.00 C ATOM 305 CG PHE A 20 16.984 -3.081 8.219 1.00 0.00 C ATOM 306 CD1 PHE A 20 15.726 -2.506 7.948 1.00 0.00 C ATOM 307 CD2 PHE A 20 17.352 -3.351 9.551 1.00 0.00 C ATOM 308 CE1 PHE A 20 14.838 -2.220 9.001 1.00 0.00 C ATOM 309 CE2 PHE A 20 16.473 -3.042 10.604 1.00 0.00 C ATOM 310 CZ PHE A 20 15.212 -2.485 10.331 1.00 0.00 C ATOM 0 H PHE A 20 17.970 -5.765 7.463 1.00 0.00 H new ATOM 0 HA PHE A 20 16.505 -4.099 5.691 1.00 0.00 H new ATOM 0 HB2 PHE A 20 18.909 -3.670 7.520 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.182 -2.361 6.609 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.443 -2.284 6.930 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.312 -3.797 9.764 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.868 -1.796 8.788 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.768 -3.233 11.625 1.00 0.00 H new ATOM 0 HZ PHE A 20 14.532 -2.261 11.140 1.00 0.00 H new ATOM 320 N LEU A 21 18.063 -3.256 3.892 1.00 0.00 N ATOM 321 CA LEU A 21 18.856 -2.817 2.741 1.00 0.00 C ATOM 322 C LEU A 21 19.062 -1.293 2.754 1.00 0.00 C ATOM 323 O LEU A 21 20.134 -0.820 2.386 1.00 0.00 O ATOM 324 CB LEU A 21 18.159 -3.298 1.450 1.00 0.00 C ATOM 325 CG LEU A 21 19.074 -3.836 0.334 1.00 0.00 C ATOM 326 CD1 LEU A 21 20.076 -2.818 -0.206 1.00 0.00 C ATOM 327 CD2 LEU A 21 19.823 -5.093 0.782 1.00 0.00 C ATOM 0 H LEU A 21 17.164 -2.779 3.954 1.00 0.00 H new ATOM 0 HA LEU A 21 19.852 -3.257 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 21 17.450 -4.082 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.580 -2.468 1.046 1.00 0.00 H new ATOM 0 HG LEU A 21 18.394 -4.076 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 21 20.679 -3.280 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 21 19.540 -1.964 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 21 20.725 -2.482 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.459 -5.446 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.439 -4.860 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.105 -5.870 1.044 1.00 0.00 H new ATOM 339 N GLY A 22 18.069 -0.537 3.239 1.00 0.00 N ATOM 340 CA GLY A 22 18.081 0.919 3.311 1.00 0.00 C ATOM 341 C GLY A 22 17.467 1.413 4.618 1.00 0.00 C ATOM 342 O GLY A 22 16.245 1.398 4.773 1.00 0.00 O ATOM 0 H GLY A 22 17.207 -0.942 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.106 1.281 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.528 1.332 2.468 1.00 0.00 H new ATOM 346 N THR A 23 18.332 1.848 5.539 1.00 0.00 N ATOM 347 CA THR A 23 18.018 2.596 6.767 1.00 0.00 C ATOM 348 C THR A 23 17.042 3.747 6.463 1.00 0.00 C ATOM 349 O THR A 23 17.197 4.390 5.424 1.00 0.00 O ATOM 350 CB THR A 23 19.344 3.144 7.333 1.00 0.00 C ATOM 351 OG1 THR A 23 20.250 2.073 7.478 1.00 0.00 O ATOM 352 CG2 THR A 23 19.250 3.820 8.699 1.00 0.00 C ATOM 0 H THR A 23 19.333 1.678 5.444 1.00 0.00 H new ATOM 0 HA THR A 23 17.537 1.944 7.496 1.00 0.00 H new ATOM 0 HB THR A 23 19.660 3.905 6.619 1.00 0.00 H new ATOM 0 HG1 THR A 23 21.098 2.408 7.836 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.238 4.168 9.002 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.569 4.669 8.639 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.876 3.106 9.433 1.00 0.00 H new ATOM 360 N PRO A 24 16.042 4.028 7.328 1.00 0.00 N ATOM 361 CA PRO A 24 14.971 4.964 6.994 1.00 0.00 C ATOM 362 C PRO A 24 15.486 6.383 6.717 1.00 0.00 C ATOM 363 O PRO A 24 16.384 6.865 7.410 1.00 0.00 O ATOM 364 CB PRO A 24 13.980 4.932 8.166 1.00 0.00 C ATOM 365 CG PRO A 24 14.770 4.311 9.317 1.00 0.00 C ATOM 366 CD PRO A 24 15.809 3.429 8.633 1.00 0.00 C ATOM 0 HA PRO A 24 14.487 4.663 6.065 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.631 5.933 8.419 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.098 4.339 7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 24 15.242 5.076 9.933 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.124 3.728 9.973 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.730 3.388 9.214 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.448 2.405 8.534 1.00 0.00 H new ATOM 374 N ALA A 25 14.867 7.076 5.755 1.00 0.00 N ATOM 375 CA ALA A 25 15.163 8.470 5.413 1.00 0.00 C ATOM 376 C ALA A 25 13.872 9.268 5.162 1.00 0.00 C ATOM 377 O ALA A 25 13.058 8.865 4.331 1.00 0.00 O ATOM 378 CB ALA A 25 16.095 8.495 4.196 1.00 0.00 C ATOM 0 H ALA A 25 14.128 6.672 5.179 1.00 0.00 H new ATOM 0 HA ALA A 25 15.665 8.952 6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 25 16.322 9.528 3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.020 7.970 4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 25 15.607 8.005 3.354 1.00 0.00 H new ATOM 384 N ASP A 26 13.659 10.363 5.914 1.00 0.00 N ATOM 385 CA ASP A 26 12.448 11.188 5.804 1.00 0.00 C ATOM 386 C ASP A 26 12.367 11.895 4.441 1.00 0.00 C ATOM 387 O ASP A 26 13.331 12.497 3.968 1.00 0.00 O ATOM 388 CB ASP A 26 12.319 12.159 6.994 1.00 0.00 C ATOM 389 CG ASP A 26 10.916 12.786 7.117 1.00 0.00 C ATOM 390 OD1 ASP A 26 10.522 13.519 6.184 1.00 0.00 O ATOM 391 OD2 ASP A 26 10.251 12.562 8.160 1.00 0.00 O ATOM 0 H ASP A 26 14.322 10.698 6.613 1.00 0.00 H new ATOM 0 HA ASP A 26 11.585 10.525 5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.554 11.627 7.916 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.057 12.954 6.888 1.00 0.00 H new ATOM 396 N THR A 27 11.201 11.790 3.802 1.00 0.00 N ATOM 397 CA THR A 27 10.892 12.298 2.461 1.00 0.00 C ATOM 398 C THR A 27 10.598 13.798 2.421 1.00 0.00 C ATOM 399 O THR A 27 10.411 14.344 1.333 1.00 0.00 O ATOM 400 CB THR A 27 9.649 11.575 1.913 1.00 0.00 C ATOM 401 OG1 THR A 27 8.541 11.844 2.752 1.00 0.00 O ATOM 402 CG2 THR A 27 9.869 10.065 1.796 1.00 0.00 C ATOM 0 H THR A 27 10.401 11.322 4.229 1.00 0.00 H new ATOM 0 HA THR A 27 11.783 12.112 1.861 1.00 0.00 H new ATOM 0 HB THR A 27 9.455 11.951 0.909 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.843 11.174 2.597 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.966 9.595 1.405 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.701 9.870 1.120 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.096 9.653 2.779 1.00 0.00 H new ATOM 410 N GLY A 28 10.443 14.461 3.576 1.00 0.00 N ATOM 411 CA GLY A 28 9.903 15.818 3.680 1.00 0.00 C ATOM 412 C GLY A 28 8.406 15.923 3.351 1.00 0.00 C ATOM 413 O GLY A 28 7.817 16.980 3.558 1.00 0.00 O ATOM 0 H GLY A 28 10.695 14.059 4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.069 16.187 4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.459 16.471 3.008 1.00 0.00 H new ATOM 417 N HIS A 29 7.774 14.839 2.880 1.00 0.00 N ATOM 418 CA HIS A 29 6.347 14.760 2.552 1.00 0.00 C ATOM 419 C HIS A 29 5.521 14.206 3.731 1.00 0.00 C ATOM 420 O HIS A 29 4.312 14.025 3.608 1.00 0.00 O ATOM 421 CB HIS A 29 6.164 13.914 1.280 1.00 0.00 C ATOM 422 CG HIS A 29 6.779 14.509 0.031 1.00 0.00 C ATOM 423 ND1 HIS A 29 8.122 14.715 -0.220 1.00 0.00 N ATOM 424 CD2 HIS A 29 6.090 14.917 -1.080 1.00 0.00 C ATOM 425 CE1 HIS A 29 8.229 15.241 -1.452 1.00 0.00 C ATOM 426 NE2 HIS A 29 7.019 15.383 -2.014 1.00 0.00 N ATOM 0 H HIS A 29 8.263 13.960 2.711 1.00 0.00 H new ATOM 0 HA HIS A 29 5.972 15.766 2.362 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.599 12.929 1.449 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.098 13.766 1.109 1.00 0.00 H new ATOM 0 HD1 HIS A 29 8.893 14.506 0.415 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.018 14.884 -1.211 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.161 15.512 -1.925 1.00 0.00 H new ATOM 434 N GLY A 30 6.169 13.941 4.876 1.00 0.00 N ATOM 435 CA GLY A 30 5.561 13.387 6.088 1.00 0.00 C ATOM 436 C GLY A 30 5.879 11.909 6.333 1.00 0.00 C ATOM 437 O GLY A 30 5.326 11.329 7.262 1.00 0.00 O ATOM 0 H GLY A 30 7.168 14.115 4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.898 13.967 6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.480 13.509 6.026 1.00 0.00 H new ATOM 441 N THR A 31 6.749 11.298 5.519 1.00 0.00 N ATOM 442 CA THR A 31 7.034 9.855 5.501 1.00 0.00 C ATOM 443 C THR A 31 8.540 9.570 5.604 1.00 0.00 C ATOM 444 O THR A 31 9.347 10.470 5.402 1.00 0.00 O ATOM 445 CB THR A 31 6.452 9.215 4.227 1.00 0.00 C ATOM 446 OG1 THR A 31 7.028 9.779 3.070 1.00 0.00 O ATOM 447 CG2 THR A 31 4.937 9.400 4.126 1.00 0.00 C ATOM 0 H THR A 31 7.295 11.813 4.828 1.00 0.00 H new ATOM 0 HA THR A 31 6.557 9.411 6.375 1.00 0.00 H new ATOM 0 HB THR A 31 6.684 8.152 4.294 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.605 9.395 2.274 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.573 8.932 3.211 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.456 8.936 4.987 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.701 10.464 4.108 1.00 0.00 H new ATOM 455 N VAL A 32 8.933 8.320 5.875 1.00 0.00 N ATOM 456 CA VAL A 32 10.290 7.785 5.666 1.00 0.00 C ATOM 457 C VAL A 32 10.235 6.700 4.600 1.00 0.00 C ATOM 458 O VAL A 32 9.416 5.785 4.697 1.00 0.00 O ATOM 459 CB VAL A 32 10.969 7.187 6.928 1.00 0.00 C ATOM 460 CG1 VAL A 32 11.753 8.214 7.756 1.00 0.00 C ATOM 461 CG2 VAL A 32 10.028 6.385 7.833 1.00 0.00 C ATOM 0 H VAL A 32 8.294 7.625 6.260 1.00 0.00 H new ATOM 0 HA VAL A 32 10.896 8.641 5.370 1.00 0.00 H new ATOM 0 HB VAL A 32 11.686 6.483 6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.198 7.721 8.620 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.540 8.651 7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.078 9.000 8.094 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.584 6.004 8.690 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.221 7.030 8.182 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.608 5.550 7.272 1.00 0.00 H new ATOM 471 N VAL A 33 11.145 6.771 3.626 1.00 0.00 N ATOM 472 CA VAL A 33 11.478 5.634 2.760 1.00 0.00 C ATOM 473 C VAL A 33 12.441 4.698 3.502 1.00 0.00 C ATOM 474 O VAL A 33 13.414 5.155 4.100 1.00 0.00 O ATOM 475 CB VAL A 33 12.056 6.087 1.402 1.00 0.00 C ATOM 476 CG1 VAL A 33 10.924 6.522 0.464 1.00 0.00 C ATOM 477 CG2 VAL A 33 13.102 7.205 1.480 1.00 0.00 C ATOM 0 H VAL A 33 11.673 7.618 3.414 1.00 0.00 H new ATOM 0 HA VAL A 33 10.561 5.092 2.530 1.00 0.00 H new ATOM 0 HB VAL A 33 12.579 5.213 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.344 6.839 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.245 5.685 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.377 7.351 0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.446 7.452 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.657 8.088 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.947 6.871 2.081 1.00 0.00 H new ATOM 487 N LEU A 34 12.134 3.396 3.487 1.00 0.00 N ATOM 488 CA LEU A 34 12.724 2.305 4.270 1.00 0.00 C ATOM 489 C LEU A 34 12.832 1.067 3.364 1.00 0.00 C ATOM 490 O LEU A 34 11.826 0.641 2.803 1.00 0.00 O ATOM 491 CB LEU A 34 11.776 2.078 5.473 1.00 0.00 C ATOM 492 CG LEU A 34 12.077 0.958 6.490 1.00 0.00 C ATOM 493 CD1 LEU A 34 11.914 -0.469 5.962 1.00 0.00 C ATOM 494 CD2 LEU A 34 13.464 1.106 7.107 1.00 0.00 C ATOM 0 H LEU A 34 11.400 3.048 2.870 1.00 0.00 H new ATOM 0 HA LEU A 34 13.726 2.526 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.726 3.015 6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.780 1.892 5.071 1.00 0.00 H new ATOM 0 HG LEU A 34 11.308 1.097 7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.149 -1.179 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.886 -0.620 5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.591 -0.626 5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.635 0.297 7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 34 14.218 1.064 6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.532 2.063 7.624 1.00 0.00 H new ATOM 506 N GLU A 35 14.022 0.477 3.200 1.00 0.00 N ATOM 507 CA GLU A 35 14.210 -0.666 2.290 1.00 0.00 C ATOM 508 C GLU A 35 14.682 -1.934 3.013 1.00 0.00 C ATOM 509 O GLU A 35 15.595 -1.904 3.847 1.00 0.00 O ATOM 510 CB GLU A 35 15.137 -0.279 1.125 1.00 0.00 C ATOM 511 CG GLU A 35 15.066 -1.319 0.001 1.00 0.00 C ATOM 512 CD GLU A 35 15.905 -0.941 -1.213 1.00 0.00 C ATOM 513 OE1 GLU A 35 17.149 -0.988 -1.120 1.00 0.00 O ATOM 514 OE2 GLU A 35 15.325 -0.721 -2.302 1.00 0.00 O ATOM 0 H GLU A 35 14.871 0.770 3.684 1.00 0.00 H new ATOM 0 HA GLU A 35 13.233 -0.917 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.853 0.700 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.163 -0.195 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.403 -2.283 0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.028 -1.444 -0.306 1.00 0.00 H new ATOM 521 N LEU A 36 14.070 -3.065 2.643 1.00 0.00 N ATOM 522 CA LEU A 36 14.328 -4.403 3.173 1.00 0.00 C ATOM 523 C LEU A 36 14.581 -5.398 2.028 1.00 0.00 C ATOM 524 O LEU A 36 14.224 -5.154 0.874 1.00 0.00 O ATOM 525 CB LEU A 36 13.100 -4.847 3.996 1.00 0.00 C ATOM 526 CG LEU A 36 12.928 -4.146 5.361 1.00 0.00 C ATOM 527 CD1 LEU A 36 11.441 -3.988 5.689 1.00 0.00 C ATOM 528 CD2 LEU A 36 13.561 -4.953 6.500 1.00 0.00 C ATOM 0 H LEU A 36 13.343 -3.068 1.927 1.00 0.00 H new ATOM 0 HA LEU A 36 15.216 -4.382 3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.203 -4.672 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.166 -5.922 4.165 1.00 0.00 H new ATOM 0 HG LEU A 36 13.421 -3.177 5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.332 -3.493 6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.960 -3.388 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.971 -4.971 5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.418 -4.425 7.443 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.088 -5.934 6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.627 -5.075 6.311 1.00 0.00 H new ATOM 540 N GLN A 37 15.129 -6.564 2.373 1.00 0.00 N ATOM 541 CA GLN A 37 15.136 -7.758 1.533 1.00 0.00 C ATOM 542 C GLN A 37 14.588 -8.959 2.315 1.00 0.00 C ATOM 543 O GLN A 37 14.878 -9.123 3.505 1.00 0.00 O ATOM 544 CB GLN A 37 16.537 -7.999 0.938 1.00 0.00 C ATOM 545 CG GLN A 37 17.582 -8.473 1.964 1.00 0.00 C ATOM 546 CD GLN A 37 19.001 -8.562 1.403 1.00 0.00 C ATOM 547 OE1 GLN A 37 19.959 -8.114 2.019 1.00 0.00 O ATOM 548 NE2 GLN A 37 19.201 -9.147 0.237 1.00 0.00 N ATOM 0 H GLN A 37 15.593 -6.706 3.270 1.00 0.00 H new ATOM 0 HA GLN A 37 14.470 -7.610 0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.460 -8.742 0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.888 -7.076 0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.579 -7.790 2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.288 -9.452 2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.411 -9.525 -0.286 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.146 -9.222 -0.141 1.00 0.00 H new ATOM 557 N TYR A 38 13.789 -9.791 1.643 1.00 0.00 N ATOM 558 CA TYR A 38 13.180 -10.995 2.204 1.00 0.00 C ATOM 559 C TYR A 38 14.104 -12.201 1.974 1.00 0.00 C ATOM 560 O TYR A 38 14.208 -12.722 0.865 1.00 0.00 O ATOM 561 CB TYR A 38 11.791 -11.193 1.597 1.00 0.00 C ATOM 562 CG TYR A 38 10.917 -12.149 2.384 1.00 0.00 C ATOM 563 CD1 TYR A 38 10.118 -11.642 3.422 1.00 0.00 C ATOM 564 CD2 TYR A 38 10.906 -13.529 2.106 1.00 0.00 C ATOM 565 CE1 TYR A 38 9.304 -12.498 4.182 1.00 0.00 C ATOM 566 CE2 TYR A 38 10.090 -14.397 2.858 1.00 0.00 C ATOM 567 CZ TYR A 38 9.286 -13.878 3.899 1.00 0.00 C ATOM 568 OH TYR A 38 8.483 -14.686 4.638 1.00 0.00 O ATOM 0 H TYR A 38 13.542 -9.639 0.665 1.00 0.00 H new ATOM 0 HA TYR A 38 13.053 -10.890 3.282 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.291 -10.227 1.531 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.898 -11.566 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.130 -10.584 3.638 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.525 -13.924 1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.695 -12.100 4.980 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.079 -15.455 2.640 1.00 0.00 H new ATOM 0 HH TYR A 38 8.911 -15.561 4.748 1.00 0.00 H new ATOM 578 N THR A 39 14.835 -12.603 3.015 1.00 0.00 N ATOM 579 CA THR A 39 16.009 -13.489 2.955 1.00 0.00 C ATOM 580 C THR A 39 15.691 -14.989 2.852 1.00 0.00 C ATOM 581 O THR A 39 16.610 -15.801 2.944 1.00 0.00 O ATOM 582 CB THR A 39 16.922 -13.229 4.170 1.00 0.00 C ATOM 583 OG1 THR A 39 16.188 -13.258 5.375 1.00 0.00 O ATOM 584 CG2 THR A 39 17.589 -11.857 4.090 1.00 0.00 C ATOM 0 H THR A 39 14.619 -12.309 3.968 1.00 0.00 H new ATOM 0 HA THR A 39 16.514 -13.237 2.022 1.00 0.00 H new ATOM 0 HB THR A 39 17.674 -14.018 4.155 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.791 -13.092 6.129 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.224 -11.710 4.963 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.195 -11.799 3.186 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.824 -11.081 4.063 1.00 0.00 H new ATOM 592 N GLY A 40 14.423 -15.379 2.669 1.00 0.00 N ATOM 593 CA GLY A 40 13.984 -16.777 2.724 1.00 0.00 C ATOM 594 C GLY A 40 12.838 -17.115 1.772 1.00 0.00 C ATOM 595 O GLY A 40 12.354 -16.268 1.022 1.00 0.00 O ATOM 0 H GLY A 40 13.665 -14.724 2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.833 -17.421 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.674 -17.008 3.743 1.00 0.00 H new ATOM 599 N THR A 41 12.419 -18.385 1.805 1.00 0.00 N ATOM 600 CA THR A 41 11.556 -19.042 0.808 1.00 0.00 C ATOM 601 C THR A 41 10.174 -19.436 1.345 1.00 0.00 C ATOM 602 O THR A 41 9.425 -20.129 0.662 1.00 0.00 O ATOM 603 CB THR A 41 12.276 -20.281 0.244 1.00 0.00 C ATOM 604 OG1 THR A 41 12.656 -21.140 1.299 1.00 0.00 O ATOM 605 CG2 THR A 41 13.539 -19.906 -0.535 1.00 0.00 C ATOM 0 H THR A 41 12.683 -19.015 2.562 1.00 0.00 H new ATOM 0 HA THR A 41 11.374 -18.309 0.022 1.00 0.00 H new ATOM 0 HB THR A 41 11.576 -20.774 -0.431 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.112 -21.926 0.933 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.014 -20.810 -0.914 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.272 -19.258 -1.370 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.231 -19.382 0.124 1.00 0.00 H new ATOM 613 N ASP A 42 9.842 -19.035 2.574 1.00 0.00 N ATOM 614 CA ASP A 42 8.618 -19.394 3.292 1.00 0.00 C ATOM 615 C ASP A 42 8.064 -18.207 4.105 1.00 0.00 C ATOM 616 O ASP A 42 8.656 -17.128 4.120 1.00 0.00 O ATOM 617 CB ASP A 42 8.911 -20.611 4.186 1.00 0.00 C ATOM 618 CG ASP A 42 9.836 -20.274 5.360 1.00 0.00 C ATOM 619 OD1 ASP A 42 11.059 -20.082 5.149 1.00 0.00 O ATOM 620 OD2 ASP A 42 9.343 -20.209 6.510 1.00 0.00 O ATOM 0 H ASP A 42 10.448 -18.423 3.121 1.00 0.00 H new ATOM 0 HA ASP A 42 7.841 -19.655 2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.972 -21.008 4.571 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.366 -21.397 3.584 1.00 0.00 H new ATOM 625 N GLY A 43 6.929 -18.413 4.785 1.00 0.00 N ATOM 626 CA GLY A 43 6.312 -17.459 5.711 1.00 0.00 C ATOM 627 C GLY A 43 5.204 -16.536 5.166 1.00 0.00 C ATOM 628 O GLY A 43 5.238 -15.357 5.521 1.00 0.00 O ATOM 0 H GLY A 43 6.398 -19.280 4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.896 -18.024 6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.103 -16.828 6.117 1.00 0.00 H new ATOM 632 N PRO A 44 4.204 -16.995 4.372 1.00 0.00 N ATOM 633 CA PRO A 44 2.982 -16.221 4.111 1.00 0.00 C ATOM 634 C PRO A 44 2.275 -15.812 5.420 1.00 0.00 C ATOM 635 O PRO A 44 1.663 -16.652 6.076 1.00 0.00 O ATOM 636 CB PRO A 44 2.079 -17.090 3.222 1.00 0.00 C ATOM 637 CG PRO A 44 3.020 -18.147 2.657 1.00 0.00 C ATOM 638 CD PRO A 44 4.089 -18.301 3.735 1.00 0.00 C ATOM 0 HA PRO A 44 3.224 -15.286 3.605 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.270 -17.542 3.796 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.617 -16.503 2.429 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.500 -19.087 2.473 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.452 -17.831 1.708 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.807 -19.065 4.459 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.040 -18.609 3.301 1.00 0.00 H new ATOM 646 N CYS A 45 2.414 -14.549 5.837 1.00 0.00 N ATOM 647 CA CYS A 45 2.062 -14.054 7.174 1.00 0.00 C ATOM 648 C CYS A 45 1.860 -12.527 7.189 1.00 0.00 C ATOM 649 O CYS A 45 2.210 -11.842 6.231 1.00 0.00 O ATOM 650 CB CYS A 45 3.206 -14.394 8.140 1.00 0.00 C ATOM 651 SG CYS A 45 3.342 -16.098 8.723 1.00 0.00 S ATOM 0 H CYS A 45 2.788 -13.817 5.233 1.00 0.00 H new ATOM 0 HA CYS A 45 1.127 -14.528 7.472 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.145 -14.132 7.652 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.109 -13.749 9.013 1.00 0.00 H new ATOM 656 N LYS A 46 1.363 -11.953 8.296 1.00 0.00 N ATOM 657 CA LYS A 46 1.438 -10.502 8.519 1.00 0.00 C ATOM 658 C LYS A 46 2.801 -10.118 9.089 1.00 0.00 C ATOM 659 O LYS A 46 3.099 -10.446 10.237 1.00 0.00 O ATOM 660 CB LYS A 46 0.309 -9.998 9.420 1.00 0.00 C ATOM 661 CG LYS A 46 -1.047 -10.101 8.712 1.00 0.00 C ATOM 662 CD LYS A 46 -2.061 -9.147 9.352 1.00 0.00 C ATOM 663 CE LYS A 46 -1.962 -7.738 8.747 1.00 0.00 C ATOM 664 NZ LYS A 46 -3.072 -7.486 7.800 1.00 0.00 N ATOM 0 H LYS A 46 0.907 -12.470 9.048 1.00 0.00 H new ATOM 0 HA LYS A 46 1.314 -10.017 7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.287 -10.580 10.341 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.499 -8.962 9.701 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.931 -9.862 7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.416 -11.125 8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.069 -9.536 9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.888 -9.096 10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.983 -6.994 9.544 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.008 -7.626 8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.876 -6.621 7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.162 -8.291 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.960 -7.369 8.329 1.00 0.00 H new ATOM 678 N VAL A 47 3.618 -9.432 8.284 1.00 0.00 N ATOM 679 CA VAL A 47 4.931 -8.931 8.699 1.00 0.00 C ATOM 680 C VAL A 47 4.791 -7.925 9.852 1.00 0.00 C ATOM 681 O VAL A 47 4.149 -6.893 9.681 1.00 0.00 O ATOM 682 CB VAL A 47 5.756 -8.347 7.527 1.00 0.00 C ATOM 683 CG1 VAL A 47 4.973 -7.429 6.578 1.00 0.00 C ATOM 684 CG2 VAL A 47 7.014 -7.614 8.019 1.00 0.00 C ATOM 0 H VAL A 47 3.384 -9.207 7.317 1.00 0.00 H new ATOM 0 HA VAL A 47 5.496 -9.790 9.060 1.00 0.00 H new ATOM 0 HB VAL A 47 6.039 -9.226 6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.635 -7.070 5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.148 -7.985 6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.579 -6.580 7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.563 -7.220 7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.724 -6.792 8.674 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.648 -8.309 8.569 1.00 0.00 H new ATOM 694 N PRO A 48 5.410 -8.161 11.019 1.00 0.00 N ATOM 695 CA PRO A 48 5.496 -7.158 12.072 1.00 0.00 C ATOM 696 C PRO A 48 6.459 -6.026 11.674 1.00 0.00 C ATOM 697 O PRO A 48 7.673 -6.135 11.836 1.00 0.00 O ATOM 698 CB PRO A 48 5.968 -7.918 13.306 1.00 0.00 C ATOM 699 CG PRO A 48 6.816 -9.037 12.705 1.00 0.00 C ATOM 700 CD PRO A 48 6.086 -9.385 11.419 1.00 0.00 C ATOM 0 HA PRO A 48 4.541 -6.666 12.259 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.550 -7.284 13.975 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.132 -8.310 13.885 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.836 -8.707 12.510 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.881 -9.895 13.374 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.782 -9.720 10.650 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.373 -10.194 11.578 1.00 0.00 H new ATOM 708 N ILE A 49 5.909 -4.927 11.159 1.00 0.00 N ATOM 709 CA ILE A 49 6.618 -3.667 10.919 1.00 0.00 C ATOM 710 C ILE A 49 5.758 -2.506 11.435 1.00 0.00 C ATOM 711 O ILE A 49 4.535 -2.531 11.287 1.00 0.00 O ATOM 712 CB ILE A 49 7.052 -3.549 9.437 1.00 0.00 C ATOM 713 CG1 ILE A 49 7.796 -2.217 9.194 1.00 0.00 C ATOM 714 CG2 ILE A 49 5.885 -3.720 8.445 1.00 0.00 C ATOM 715 CD1 ILE A 49 8.648 -2.208 7.919 1.00 0.00 C ATOM 0 H ILE A 49 4.926 -4.886 10.888 1.00 0.00 H new ATOM 0 HA ILE A 49 7.553 -3.634 11.478 1.00 0.00 H new ATOM 0 HB ILE A 49 7.734 -4.377 9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.066 -1.409 9.138 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.438 -2.008 10.050 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.258 -3.626 7.425 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.436 -4.704 8.578 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.135 -2.951 8.629 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.139 -1.240 7.816 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.402 -2.993 7.980 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.009 -2.384 7.053 1.00 0.00 H new ATOM 727 N SER A 50 6.387 -1.520 12.086 1.00 0.00 N ATOM 728 CA SER A 50 5.697 -0.458 12.828 1.00 0.00 C ATOM 729 C SER A 50 6.508 0.847 12.923 1.00 0.00 C ATOM 730 O SER A 50 7.695 0.900 12.594 1.00 0.00 O ATOM 731 CB SER A 50 5.379 -0.992 14.229 1.00 0.00 C ATOM 732 OG SER A 50 4.575 -0.083 14.953 1.00 0.00 O ATOM 0 H SER A 50 7.403 -1.436 12.112 1.00 0.00 H new ATOM 0 HA SER A 50 4.787 -0.200 12.286 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.866 -1.950 14.148 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.307 -1.172 14.771 1.00 0.00 H new ATOM 0 HG SER A 50 4.945 0.036 15.853 1.00 0.00 H new ATOM 738 N SER A 51 5.841 1.903 13.403 1.00 0.00 N ATOM 739 CA SER A 51 6.344 3.263 13.594 1.00 0.00 C ATOM 740 C SER A 51 5.793 3.848 14.902 1.00 0.00 C ATOM 741 O SER A 51 4.578 3.997 15.082 1.00 0.00 O ATOM 742 CB SER A 51 5.956 4.130 12.393 1.00 0.00 C ATOM 743 OG SER A 51 6.437 5.448 12.561 1.00 0.00 O ATOM 0 H SER A 51 4.865 1.820 13.688 1.00 0.00 H new ATOM 0 HA SER A 51 7.431 3.243 13.666 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.366 3.700 11.479 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.872 4.143 12.281 1.00 0.00 H new ATOM 0 HG SER A 51 6.257 5.968 11.750 1.00 0.00 H new ATOM 749 N VAL A 52 6.692 4.164 15.838 1.00 0.00 N ATOM 750 CA VAL A 52 6.379 4.730 17.161 1.00 0.00 C ATOM 751 C VAL A 52 7.310 5.892 17.507 1.00 0.00 C ATOM 752 O VAL A 52 8.272 6.138 16.790 1.00 0.00 O ATOM 753 CB VAL A 52 6.387 3.639 18.252 1.00 0.00 C ATOM 754 CG1 VAL A 52 5.066 2.882 18.242 1.00 0.00 C ATOM 755 CG2 VAL A 52 7.535 2.628 18.156 1.00 0.00 C ATOM 0 H VAL A 52 7.693 4.030 15.695 1.00 0.00 H new ATOM 0 HA VAL A 52 5.368 5.135 17.118 1.00 0.00 H new ATOM 0 HB VAL A 52 6.536 4.180 19.186 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.081 2.114 19.015 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.248 3.576 18.435 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.922 2.414 17.268 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.451 1.904 18.967 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.483 2.109 17.199 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.488 3.151 18.234 1.00 0.00 H new ATOM 765 N ALA A 53 7.027 6.634 18.586 1.00 0.00 N ATOM 766 CA ALA A 53 7.792 7.828 18.963 1.00 0.00 C ATOM 767 C ALA A 53 8.957 7.533 19.925 1.00 0.00 C ATOM 768 O ALA A 53 9.912 8.306 20.003 1.00 0.00 O ATOM 769 CB ALA A 53 6.822 8.844 19.575 1.00 0.00 C ATOM 0 H ALA A 53 6.259 6.422 19.223 1.00 0.00 H new ATOM 0 HA ALA A 53 8.258 8.229 18.063 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.369 9.741 19.863 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.058 9.105 18.843 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.348 8.410 20.455 1.00 0.00 H new ATOM 775 N SER A 54 8.903 6.438 20.692 1.00 0.00 N ATOM 776 CA SER A 54 9.947 6.062 21.660 1.00 0.00 C ATOM 777 C SER A 54 9.943 4.551 21.925 1.00 0.00 C ATOM 778 O SER A 54 9.862 4.110 23.068 1.00 0.00 O ATOM 779 CB SER A 54 9.771 6.879 22.947 1.00 0.00 C ATOM 780 OG SER A 54 10.037 8.243 22.674 1.00 0.00 O ATOM 0 H SER A 54 8.125 5.779 20.660 1.00 0.00 H new ATOM 0 HA SER A 54 10.926 6.296 21.241 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.757 6.764 23.329 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.446 6.512 23.720 1.00 0.00 H new ATOM 0 HG SER A 54 10.348 8.337 21.750 1.00 0.00 H new ATOM 786 N LEU A 55 9.977 3.753 20.846 1.00 0.00 N ATOM 787 CA LEU A 55 9.924 2.278 20.835 1.00 0.00 C ATOM 788 C LEU A 55 8.688 1.669 21.547 1.00 0.00 C ATOM 789 O LEU A 55 8.604 0.461 21.753 1.00 0.00 O ATOM 790 CB LEU A 55 11.283 1.711 21.315 1.00 0.00 C ATOM 791 CG LEU A 55 11.913 0.680 20.355 1.00 0.00 C ATOM 792 CD1 LEU A 55 13.345 0.371 20.799 1.00 0.00 C ATOM 793 CD2 LEU A 55 11.141 -0.640 20.284 1.00 0.00 C ATOM 0 H LEU A 55 10.046 4.139 19.904 1.00 0.00 H new ATOM 0 HA LEU A 55 9.769 1.959 19.804 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.981 2.537 21.452 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.145 1.245 22.291 1.00 0.00 H new ATOM 0 HG LEU A 55 11.887 1.133 19.364 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.787 -0.357 20.119 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.936 1.287 20.784 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.333 -0.037 21.810 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.640 -1.317 19.591 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.106 -1.095 21.274 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.126 -0.449 19.937 1.00 0.00 H new ATOM 805 N ASN A 56 7.692 2.499 21.877 1.00 0.00 N ATOM 806 CA ASN A 56 6.443 2.204 22.582 1.00 0.00 C ATOM 807 C ASN A 56 5.429 1.362 21.766 1.00 0.00 C ATOM 808 O ASN A 56 4.229 1.643 21.766 1.00 0.00 O ATOM 809 CB ASN A 56 5.875 3.560 23.046 1.00 0.00 C ATOM 810 CG ASN A 56 5.552 4.507 21.896 1.00 0.00 C ATOM 811 OD1 ASN A 56 6.375 5.309 21.463 1.00 0.00 O ATOM 812 ND2 ASN A 56 4.358 4.412 21.354 1.00 0.00 N ATOM 0 H ASN A 56 7.747 3.488 21.633 1.00 0.00 H new ATOM 0 HA ASN A 56 6.647 1.556 23.434 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.970 3.386 23.629 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.595 4.039 23.710 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.107 5.008 20.565 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.683 3.742 21.722 1.00 0.00 H new ATOM 819 N ASP A 57 5.901 0.331 21.056 1.00 0.00 N ATOM 820 CA ASP A 57 5.171 -0.417 20.020 1.00 0.00 C ATOM 821 C ASP A 57 3.951 -1.221 20.514 1.00 0.00 C ATOM 822 O ASP A 57 3.178 -1.738 19.713 1.00 0.00 O ATOM 823 CB ASP A 57 6.174 -1.276 19.229 1.00 0.00 C ATOM 824 CG ASP A 57 5.775 -1.475 17.762 1.00 0.00 C ATOM 825 OD1 ASP A 57 5.105 -0.577 17.195 1.00 0.00 O ATOM 826 OD2 ASP A 57 6.213 -2.486 17.176 1.00 0.00 O ATOM 0 H ASP A 57 6.848 -0.023 21.193 1.00 0.00 H new ATOM 0 HA ASP A 57 4.711 0.320 19.361 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.157 -0.806 19.271 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.266 -2.250 19.709 1.00 0.00 H new ATOM 831 N LEU A 58 3.709 -1.230 21.831 1.00 0.00 N ATOM 832 CA LEU A 58 2.418 -1.562 22.440 1.00 0.00 C ATOM 833 C LEU A 58 1.276 -0.617 22.004 1.00 0.00 C ATOM 834 O LEU A 58 0.103 -0.922 22.216 1.00 0.00 O ATOM 835 CB LEU A 58 2.589 -1.616 23.972 1.00 0.00 C ATOM 836 CG LEU A 58 2.870 -0.254 24.653 1.00 0.00 C ATOM 837 CD1 LEU A 58 1.600 0.366 25.245 1.00 0.00 C ATOM 838 CD2 LEU A 58 3.891 -0.412 25.782 1.00 0.00 C ATOM 0 H LEU A 58 4.426 -1.000 22.519 1.00 0.00 H new ATOM 0 HA LEU A 58 2.109 -2.543 22.079 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.685 -2.042 24.408 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.407 -2.297 24.206 1.00 0.00 H new ATOM 0 HG LEU A 58 3.260 0.403 23.875 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.845 1.320 25.712 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.870 0.527 24.452 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.181 -0.307 25.993 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.073 0.557 26.246 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.503 -1.105 26.529 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.825 -0.801 25.376 1.00 0.00 H new ATOM 850 N THR A 59 1.578 0.540 21.401 1.00 0.00 N ATOM 851 CA THR A 59 0.606 1.392 20.701 1.00 0.00 C ATOM 852 C THR A 59 1.315 2.207 19.606 1.00 0.00 C ATOM 853 O THR A 59 2.018 3.165 19.938 1.00 0.00 O ATOM 854 CB THR A 59 -0.150 2.295 21.690 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.923 1.479 22.546 1.00 0.00 O ATOM 856 CG2 THR A 59 -1.141 3.240 21.003 1.00 0.00 C ATOM 0 H THR A 59 2.525 0.919 21.385 1.00 0.00 H new ATOM 0 HA THR A 59 -0.138 0.758 20.220 1.00 0.00 H new ATOM 0 HB THR A 59 0.605 2.884 22.212 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.829 0.541 22.277 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.642 3.850 21.754 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.605 3.887 20.309 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.882 2.656 20.457 1.00 0.00 H new ATOM 864 N PRO A 60 1.161 1.839 18.314 1.00 0.00 N ATOM 865 CA PRO A 60 1.647 2.605 17.163 1.00 0.00 C ATOM 866 C PRO A 60 1.317 4.104 17.217 1.00 0.00 C ATOM 867 O PRO A 60 0.210 4.492 17.591 1.00 0.00 O ATOM 868 CB PRO A 60 1.011 1.940 15.939 1.00 0.00 C ATOM 869 CG PRO A 60 0.902 0.483 16.370 1.00 0.00 C ATOM 870 CD PRO A 60 0.533 0.609 17.846 1.00 0.00 C ATOM 0 HA PRO A 60 2.737 2.583 17.139 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.036 2.368 15.706 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.630 2.054 15.049 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.140 -0.053 15.804 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.840 -0.054 16.229 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.549 0.649 17.976 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.890 -0.251 18.412 1.00 0.00 H new ATOM 878 N VAL A 61 2.265 4.946 16.782 1.00 0.00 N ATOM 879 CA VAL A 61 2.125 6.420 16.749 1.00 0.00 C ATOM 880 C VAL A 61 2.252 6.952 15.318 1.00 0.00 C ATOM 881 O VAL A 61 1.648 7.965 14.971 1.00 0.00 O ATOM 882 CB VAL A 61 3.143 7.119 17.682 1.00 0.00 C ATOM 883 CG1 VAL A 61 2.835 8.614 17.859 1.00 0.00 C ATOM 884 CG2 VAL A 61 3.180 6.506 19.087 1.00 0.00 C ATOM 0 H VAL A 61 3.168 4.623 16.436 1.00 0.00 H new ATOM 0 HA VAL A 61 1.127 6.655 17.118 1.00 0.00 H new ATOM 0 HB VAL A 61 4.104 6.979 17.188 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.576 9.062 18.521 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.869 9.110 16.889 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.842 8.732 18.292 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.912 7.037 19.696 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.195 6.590 19.547 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.460 5.455 19.018 1.00 0.00 H new ATOM 894 N GLY A 62 2.986 6.233 14.468 1.00 0.00 N ATOM 895 CA GLY A 62 2.997 6.344 13.020 1.00 0.00 C ATOM 896 C GLY A 62 2.373 5.106 12.370 1.00 0.00 C ATOM 897 O GLY A 62 1.846 4.224 13.055 1.00 0.00 O ATOM 0 H GLY A 62 3.628 5.513 14.800 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.447 7.235 12.716 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.022 6.466 12.669 1.00 0.00 H new ATOM 901 N ARG A 63 2.428 5.024 11.040 1.00 0.00 N ATOM 902 CA ARG A 63 1.808 3.952 10.249 1.00 0.00 C ATOM 903 C ARG A 63 2.724 3.445 9.134 1.00 0.00 C ATOM 904 O ARG A 63 3.802 3.987 8.894 1.00 0.00 O ATOM 905 CB ARG A 63 0.452 4.436 9.692 1.00 0.00 C ATOM 906 CG ARG A 63 0.597 5.665 8.778 1.00 0.00 C ATOM 907 CD ARG A 63 -0.635 5.919 7.908 1.00 0.00 C ATOM 908 NE ARG A 63 -1.852 6.115 8.711 1.00 0.00 N ATOM 909 CZ ARG A 63 -2.388 7.253 9.121 1.00 0.00 C ATOM 910 NH1 ARG A 63 -1.825 8.429 8.977 1.00 0.00 N ATOM 911 NH2 ARG A 63 -3.559 7.182 9.700 1.00 0.00 N ATOM 0 H ARG A 63 2.914 5.714 10.467 1.00 0.00 H new ATOM 0 HA ARG A 63 1.638 3.101 10.909 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.018 3.626 9.135 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.212 4.680 10.521 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.788 6.545 9.392 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.466 5.530 8.135 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.465 6.800 7.289 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.780 5.077 7.232 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.345 5.266 8.987 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.915 8.506 8.524 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.298 9.266 9.318 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.016 6.278 9.817 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.015 8.031 10.034 1.00 0.00 H new ATOM 925 N LEU A 64 2.250 2.413 8.441 1.00 0.00 N ATOM 926 CA LEU A 64 2.758 1.941 7.159 1.00 0.00 C ATOM 927 C LEU A 64 2.044 2.732 6.050 1.00 0.00 C ATOM 928 O LEU A 64 0.859 3.041 6.198 1.00 0.00 O ATOM 929 CB LEU A 64 2.479 0.427 7.022 1.00 0.00 C ATOM 930 CG LEU A 64 2.956 -0.507 8.162 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.353 -0.155 8.672 1.00 0.00 C ATOM 932 CD2 LEU A 64 2.002 -0.581 9.362 1.00 0.00 C ATOM 0 H LEU A 64 1.463 1.857 8.776 1.00 0.00 H new ATOM 0 HA LEU A 64 3.835 2.094 7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.403 0.295 6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.940 0.085 6.095 1.00 0.00 H new ATOM 0 HG LEU A 64 2.975 -1.488 7.688 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.633 -0.843 9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.070 -0.236 7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.354 0.865 9.056 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.413 -1.256 10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.883 0.413 9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.031 -0.952 9.033 1.00 0.00 H new ATOM 944 N VAL A 65 2.742 3.067 4.958 1.00 0.00 N ATOM 945 CA VAL A 65 2.209 3.942 3.898 1.00 0.00 C ATOM 946 C VAL A 65 2.154 3.230 2.544 1.00 0.00 C ATOM 947 O VAL A 65 1.121 3.297 1.885 1.00 0.00 O ATOM 948 CB VAL A 65 2.992 5.271 3.841 1.00 0.00 C ATOM 949 CG1 VAL A 65 2.532 6.180 2.694 1.00 0.00 C ATOM 950 CG2 VAL A 65 2.852 6.049 5.159 1.00 0.00 C ATOM 0 H VAL A 65 3.692 2.741 4.781 1.00 0.00 H new ATOM 0 HA VAL A 65 1.177 4.187 4.149 1.00 0.00 H new ATOM 0 HB VAL A 65 4.033 4.996 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.117 7.100 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.676 5.667 1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.476 6.420 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.413 6.981 5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.800 6.270 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.243 5.448 5.980 1.00 0.00 H new ATOM 960 N THR A 66 3.216 2.525 2.128 1.00 0.00 N ATOM 961 CA THR A 66 3.233 1.825 0.826 1.00 0.00 C ATOM 962 C THR A 66 2.174 0.724 0.707 1.00 0.00 C ATOM 963 O THR A 66 1.564 0.593 -0.352 1.00 0.00 O ATOM 964 CB THR A 66 4.628 1.249 0.532 1.00 0.00 C ATOM 965 OG1 THR A 66 5.496 2.316 0.255 1.00 0.00 O ATOM 966 CG2 THR A 66 4.730 0.307 -0.668 1.00 0.00 C ATOM 0 H THR A 66 4.074 2.422 2.669 1.00 0.00 H new ATOM 0 HA THR A 66 2.984 2.580 0.080 1.00 0.00 H new ATOM 0 HB THR A 66 4.877 0.667 1.419 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.278 1.983 -0.233 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.759 -0.035 -0.776 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.077 -0.552 -0.513 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.426 0.835 -1.572 1.00 0.00 H new ATOM 974 N VAL A 67 1.977 -0.096 1.748 1.00 0.00 N ATOM 975 CA VAL A 67 1.067 -1.252 1.712 1.00 0.00 C ATOM 976 C VAL A 67 0.646 -1.668 3.128 1.00 0.00 C ATOM 977 O VAL A 67 1.293 -1.300 4.110 1.00 0.00 O ATOM 978 CB VAL A 67 1.737 -2.409 0.925 1.00 0.00 C ATOM 979 CG1 VAL A 67 2.940 -3.029 1.651 1.00 0.00 C ATOM 980 CG2 VAL A 67 0.750 -3.512 0.519 1.00 0.00 C ATOM 0 H VAL A 67 2.447 0.024 2.645 1.00 0.00 H new ATOM 0 HA VAL A 67 0.149 -0.978 1.192 1.00 0.00 H new ATOM 0 HB VAL A 67 2.107 -1.931 0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.358 -3.831 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.699 -2.264 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.617 -3.432 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.280 -4.292 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.296 -3.941 1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.028 -3.088 -0.116 1.00 0.00 H new ATOM 990 N ASN A 68 -0.421 -2.469 3.236 1.00 0.00 N ATOM 991 CA ASN A 68 -0.772 -3.176 4.467 1.00 0.00 C ATOM 992 C ASN A 68 0.329 -4.207 4.810 1.00 0.00 C ATOM 993 O ASN A 68 0.803 -4.894 3.903 1.00 0.00 O ATOM 994 CB ASN A 68 -2.138 -3.862 4.278 1.00 0.00 C ATOM 995 CG ASN A 68 -2.769 -4.234 5.611 1.00 0.00 C ATOM 996 OD1 ASN A 68 -2.622 -5.336 6.128 1.00 0.00 O ATOM 997 ND2 ASN A 68 -3.466 -3.291 6.209 1.00 0.00 N ATOM 0 H ASN A 68 -1.067 -2.644 2.466 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.845 -2.474 5.297 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.807 -3.197 3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.014 -4.759 3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.894 -3.471 7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.578 -2.380 5.764 1.00 0.00 H new ATOM 1004 N PRO A 69 0.741 -4.347 6.085 1.00 0.00 N ATOM 1005 CA PRO A 69 1.848 -5.223 6.475 1.00 0.00 C ATOM 1006 C PRO A 69 1.495 -6.722 6.356 1.00 0.00 C ATOM 1007 O PRO A 69 1.124 -7.385 7.327 1.00 0.00 O ATOM 1008 CB PRO A 69 2.218 -4.772 7.892 1.00 0.00 C ATOM 1009 CG PRO A 69 0.920 -4.209 8.456 1.00 0.00 C ATOM 1010 CD PRO A 69 0.287 -3.564 7.228 1.00 0.00 C ATOM 0 HA PRO A 69 2.703 -5.133 5.806 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.585 -5.605 8.492 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.006 -4.019 7.877 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.287 -4.990 8.877 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.102 -3.483 9.249 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.801 -3.572 7.300 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.592 -2.522 7.133 1.00 0.00 H new ATOM 1018 N PHE A 70 1.609 -7.261 5.136 1.00 0.00 N ATOM 1019 CA PHE A 70 1.179 -8.607 4.756 1.00 0.00 C ATOM 1020 C PHE A 70 2.116 -9.241 3.709 1.00 0.00 C ATOM 1021 O PHE A 70 2.148 -8.828 2.552 1.00 0.00 O ATOM 1022 CB PHE A 70 -0.278 -8.510 4.273 1.00 0.00 C ATOM 1023 CG PHE A 70 -0.921 -9.789 3.760 1.00 0.00 C ATOM 1024 CD1 PHE A 70 -0.688 -11.031 4.386 1.00 0.00 C ATOM 1025 CD2 PHE A 70 -1.797 -9.722 2.659 1.00 0.00 C ATOM 1026 CE1 PHE A 70 -1.304 -12.196 3.896 1.00 0.00 C ATOM 1027 CE2 PHE A 70 -2.419 -10.885 2.175 1.00 0.00 C ATOM 1028 CZ PHE A 70 -2.171 -12.124 2.793 1.00 0.00 C ATOM 0 H PHE A 70 2.021 -6.748 4.356 1.00 0.00 H new ATOM 0 HA PHE A 70 1.232 -9.276 5.615 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.884 -8.133 5.097 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.323 -7.766 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.035 -11.087 5.244 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.992 -8.772 2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.110 -13.148 4.368 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.087 -10.828 1.329 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.647 -13.019 2.420 1.00 0.00 H new ATOM 1038 N VAL A 71 2.875 -10.265 4.120 1.00 0.00 N ATOM 1039 CA VAL A 71 3.639 -11.175 3.255 1.00 0.00 C ATOM 1040 C VAL A 71 2.649 -12.134 2.584 1.00 0.00 C ATOM 1041 O VAL A 71 2.345 -13.200 3.116 1.00 0.00 O ATOM 1042 CB VAL A 71 4.706 -11.972 4.050 1.00 0.00 C ATOM 1043 CG1 VAL A 71 5.647 -12.717 3.096 1.00 0.00 C ATOM 1044 CG2 VAL A 71 5.557 -11.085 4.966 1.00 0.00 C ATOM 0 H VAL A 71 2.978 -10.492 5.109 1.00 0.00 H new ATOM 0 HA VAL A 71 4.176 -10.590 2.509 1.00 0.00 H new ATOM 0 HB VAL A 71 4.150 -12.674 4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.388 -13.270 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.071 -13.412 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.152 -12.000 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.285 -11.701 5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.080 -10.339 4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.913 -10.584 5.688 1.00 0.00 H new ATOM 1054 N SER A 72 2.087 -11.740 1.440 1.00 0.00 N ATOM 1055 CA SER A 72 0.972 -12.463 0.811 1.00 0.00 C ATOM 1056 C SER A 72 1.316 -13.841 0.227 1.00 0.00 C ATOM 1057 O SER A 72 0.403 -14.629 -0.006 1.00 0.00 O ATOM 1058 CB SER A 72 0.362 -11.602 -0.298 1.00 0.00 C ATOM 1059 OG SER A 72 0.040 -10.316 0.194 1.00 0.00 O ATOM 0 H SER A 72 2.388 -10.914 0.922 1.00 0.00 H new ATOM 0 HA SER A 72 0.271 -12.651 1.624 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.064 -11.515 -1.127 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.535 -12.083 -0.689 1.00 0.00 H new ATOM 0 HG SER A 72 -0.648 -10.394 0.888 1.00 0.00 H new ATOM 1065 N VAL A 73 2.597 -14.135 -0.044 1.00 0.00 N ATOM 1066 CA VAL A 73 3.045 -15.327 -0.786 1.00 0.00 C ATOM 1067 C VAL A 73 4.441 -15.786 -0.348 1.00 0.00 C ATOM 1068 O VAL A 73 5.268 -14.978 0.069 1.00 0.00 O ATOM 1069 CB VAL A 73 3.069 -15.062 -2.312 1.00 0.00 C ATOM 1070 CG1 VAL A 73 1.669 -15.091 -2.934 1.00 0.00 C ATOM 1071 CG2 VAL A 73 3.747 -13.735 -2.697 1.00 0.00 C ATOM 0 H VAL A 73 3.369 -13.538 0.253 1.00 0.00 H new ATOM 0 HA VAL A 73 2.326 -16.114 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 73 3.665 -15.882 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.742 -14.900 -4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.218 -16.070 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.049 -14.324 -2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.727 -13.617 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.214 -12.906 -2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.781 -13.741 -2.352 1.00 0.00 H new ATOM 1081 N ALA A 74 4.746 -17.077 -0.536 1.00 0.00 N ATOM 1082 CA ALA A 74 6.083 -17.644 -0.321 1.00 0.00 C ATOM 1083 C ALA A 74 7.122 -17.141 -1.346 1.00 0.00 C ATOM 1084 O ALA A 74 8.325 -17.181 -1.088 1.00 0.00 O ATOM 1085 CB ALA A 74 5.969 -19.172 -0.362 1.00 0.00 C ATOM 0 H ALA A 74 4.061 -17.766 -0.846 1.00 0.00 H new ATOM 0 HA ALA A 74 6.446 -17.313 0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.953 -19.615 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.290 -19.507 0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.583 -19.482 -1.333 1.00 0.00 H new ATOM 1091 N THR A 75 6.659 -16.619 -2.491 1.00 0.00 N ATOM 1092 CA THR A 75 7.468 -15.983 -3.539 1.00 0.00 C ATOM 1093 C THR A 75 7.833 -14.520 -3.227 1.00 0.00 C ATOM 1094 O THR A 75 8.393 -13.836 -4.079 1.00 0.00 O ATOM 1095 CB THR A 75 6.764 -16.072 -4.904 1.00 0.00 C ATOM 1096 OG1 THR A 75 5.481 -15.496 -4.831 1.00 0.00 O ATOM 1097 CG2 THR A 75 6.600 -17.515 -5.385 1.00 0.00 C ATOM 0 H THR A 75 5.665 -16.630 -2.721 1.00 0.00 H new ATOM 0 HA THR A 75 8.404 -16.540 -3.574 1.00 0.00 H new ATOM 0 HB THR A 75 7.397 -15.534 -5.610 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.045 -15.558 -5.706 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.098 -17.521 -6.352 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.581 -17.980 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.004 -18.074 -4.663 1.00 0.00 H new ATOM 1105 N ALA A 76 7.547 -14.013 -2.019 1.00 0.00 N ATOM 1106 CA ALA A 76 7.853 -12.650 -1.561 1.00 0.00 C ATOM 1107 C ALA A 76 9.361 -12.332 -1.400 1.00 0.00 C ATOM 1108 O ALA A 76 9.704 -11.348 -0.749 1.00 0.00 O ATOM 1109 CB ALA A 76 7.099 -12.419 -0.244 1.00 0.00 C ATOM 0 H ALA A 76 7.075 -14.566 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 76 7.524 -11.964 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.306 -11.414 0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.028 -12.530 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.427 -13.149 0.496 1.00 0.00 H new ATOM 1115 N ASN A 77 10.262 -13.132 -1.988 1.00 0.00 N ATOM 1116 CA ASN A 77 11.729 -13.198 -1.814 1.00 0.00 C ATOM 1117 C ASN A 77 12.498 -11.950 -2.324 1.00 0.00 C ATOM 1118 O ASN A 77 13.666 -12.036 -2.704 1.00 0.00 O ATOM 1119 CB ASN A 77 12.252 -14.496 -2.478 1.00 0.00 C ATOM 1120 CG ASN A 77 11.254 -15.647 -2.455 1.00 0.00 C ATOM 1121 OD1 ASN A 77 10.690 -15.997 -3.478 1.00 0.00 O ATOM 1122 ND2 ASN A 77 10.924 -16.192 -1.305 1.00 0.00 N ATOM 0 H ASN A 77 9.953 -13.824 -2.671 1.00 0.00 H new ATOM 0 HA ASN A 77 11.924 -13.211 -0.742 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.520 -14.281 -3.512 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.165 -14.809 -1.971 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.197 -16.907 -1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.395 -15.900 -0.449 1.00 0.00 H new ATOM 1129 N ALA A 78 11.822 -10.804 -2.410 1.00 0.00 N ATOM 1130 CA ALA A 78 12.258 -9.587 -3.077 1.00 0.00 C ATOM 1131 C ALA A 78 13.168 -8.696 -2.211 1.00 0.00 C ATOM 1132 O ALA A 78 13.319 -8.877 -1.001 1.00 0.00 O ATOM 1133 CB ALA A 78 10.991 -8.830 -3.503 1.00 0.00 C ATOM 0 H ALA A 78 10.899 -10.699 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 78 12.874 -9.858 -3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.272 -7.907 -4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.406 -9.452 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.395 -8.594 -2.622 1.00 0.00 H new ATOM 1139 N LYS A 79 13.714 -7.667 -2.871 1.00 0.00 N ATOM 1140 CA LYS A 79 14.410 -6.502 -2.325 1.00 0.00 C ATOM 1141 C LYS A 79 13.519 -5.294 -2.623 1.00 0.00 C ATOM 1142 O LYS A 79 13.288 -4.987 -3.791 1.00 0.00 O ATOM 1143 CB LYS A 79 15.808 -6.448 -2.965 1.00 0.00 C ATOM 1144 CG LYS A 79 16.685 -5.249 -2.571 1.00 0.00 C ATOM 1145 CD LYS A 79 16.365 -3.962 -3.350 1.00 0.00 C ATOM 1146 CE LYS A 79 17.574 -3.020 -3.333 1.00 0.00 C ATOM 1147 NZ LYS A 79 17.237 -1.696 -3.902 1.00 0.00 N ATOM 0 H LYS A 79 13.675 -7.628 -3.890 1.00 0.00 H new ATOM 0 HA LYS A 79 14.573 -6.533 -1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.340 -7.363 -2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.690 -6.445 -4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.563 -5.057 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.732 -5.508 -2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.100 -4.207 -4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.501 -3.465 -2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.927 -2.898 -2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.391 -3.464 -3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.902 -0.983 -3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.303 -1.737 -4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.268 -1.436 -3.627 1.00 0.00 H new ATOM 1161 N VAL A 80 12.931 -4.695 -1.584 1.00 0.00 N ATOM 1162 CA VAL A 80 11.703 -3.894 -1.690 1.00 0.00 C ATOM 1163 C VAL A 80 11.746 -2.637 -0.811 1.00 0.00 C ATOM 1164 O VAL A 80 11.945 -2.705 0.405 1.00 0.00 O ATOM 1165 CB VAL A 80 10.465 -4.783 -1.428 1.00 0.00 C ATOM 1166 CG1 VAL A 80 10.485 -5.539 -0.089 1.00 0.00 C ATOM 1167 CG2 VAL A 80 9.160 -3.986 -1.547 1.00 0.00 C ATOM 0 H VAL A 80 13.297 -4.752 -0.633 1.00 0.00 H new ATOM 0 HA VAL A 80 11.624 -3.518 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 80 10.512 -5.540 -2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.577 -6.135 0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.355 -6.195 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.537 -4.824 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.313 -4.645 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.161 -3.176 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.078 -3.571 -2.551 1.00 0.00 H new ATOM 1177 N LEU A 81 11.573 -1.480 -1.465 1.00 0.00 N ATOM 1178 CA LEU A 81 11.448 -0.156 -0.855 1.00 0.00 C ATOM 1179 C LEU A 81 10.004 0.064 -0.372 1.00 0.00 C ATOM 1180 O LEU A 81 9.053 -0.237 -1.094 1.00 0.00 O ATOM 1181 CB LEU A 81 11.848 0.925 -1.890 1.00 0.00 C ATOM 1182 CG LEU A 81 12.920 1.923 -1.414 1.00 0.00 C ATOM 1183 CD1 LEU A 81 13.147 2.992 -2.488 1.00 0.00 C ATOM 1184 CD2 LEU A 81 12.555 2.645 -0.116 1.00 0.00 C ATOM 0 H LEU A 81 11.514 -1.444 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 81 12.112 -0.084 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.211 0.428 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.955 1.483 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 81 13.815 1.329 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.906 3.696 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.482 2.516 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.215 3.526 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.357 3.331 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.631 3.205 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.416 1.914 0.680 1.00 0.00 H new ATOM 1196 N ILE A 82 9.842 0.596 0.842 1.00 0.00 N ATOM 1197 CA ILE A 82 8.565 0.806 1.529 1.00 0.00 C ATOM 1198 C ILE A 82 8.575 2.202 2.173 1.00 0.00 C ATOM 1199 O ILE A 82 9.574 2.610 2.761 1.00 0.00 O ATOM 1200 CB ILE A 82 8.376 -0.326 2.579 1.00 0.00 C ATOM 1201 CG1 ILE A 82 8.165 -1.695 1.886 1.00 0.00 C ATOM 1202 CG2 ILE A 82 7.209 -0.048 3.543 1.00 0.00 C ATOM 1203 CD1 ILE A 82 8.209 -2.906 2.827 1.00 0.00 C ATOM 0 H ILE A 82 10.637 0.907 1.400 1.00 0.00 H new ATOM 0 HA ILE A 82 7.725 0.765 0.835 1.00 0.00 H new ATOM 0 HB ILE A 82 9.293 -0.355 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.202 -1.684 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.930 -1.820 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.121 -0.869 4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.396 0.881 4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.282 0.041 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.052 -3.819 2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.181 -2.950 3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.426 -2.811 3.579 1.00 0.00 H new ATOM 1215 N GLU A 83 7.459 2.932 2.110 1.00 0.00 N ATOM 1216 CA GLU A 83 7.218 4.116 2.934 1.00 0.00 C ATOM 1217 C GLU A 83 6.489 3.760 4.239 1.00 0.00 C ATOM 1218 O GLU A 83 5.496 3.021 4.240 1.00 0.00 O ATOM 1219 CB GLU A 83 6.412 5.185 2.185 1.00 0.00 C ATOM 1220 CG GLU A 83 7.237 5.925 1.129 1.00 0.00 C ATOM 1221 CD GLU A 83 6.482 7.171 0.659 1.00 0.00 C ATOM 1222 OE1 GLU A 83 6.633 8.218 1.335 1.00 0.00 O ATOM 1223 OE2 GLU A 83 5.742 7.061 -0.342 1.00 0.00 O ATOM 0 H GLU A 83 6.689 2.714 1.478 1.00 0.00 H new ATOM 0 HA GLU A 83 8.201 4.522 3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.554 4.715 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.020 5.906 2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.204 6.210 1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.434 5.267 0.282 1.00 0.00 H new ATOM 1230 N LEU A 84 6.956 4.375 5.332 1.00 0.00 N ATOM 1231 CA LEU A 84 6.313 4.459 6.647 1.00 0.00 C ATOM 1232 C LEU A 84 6.071 5.937 7.009 1.00 0.00 C ATOM 1233 O LEU A 84 6.660 6.833 6.412 1.00 0.00 O ATOM 1234 CB LEU A 84 7.213 3.781 7.706 1.00 0.00 C ATOM 1235 CG LEU A 84 6.901 2.304 7.988 1.00 0.00 C ATOM 1236 CD1 LEU A 84 7.188 1.391 6.796 1.00 0.00 C ATOM 1237 CD2 LEU A 84 7.756 1.817 9.156 1.00 0.00 C ATOM 0 H LEU A 84 7.854 4.859 5.319 1.00 0.00 H new ATOM 0 HA LEU A 84 5.353 3.944 6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.250 3.860 7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.129 4.337 8.640 1.00 0.00 H new ATOM 0 HG LEU A 84 5.835 2.253 8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.947 0.361 7.060 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.579 1.700 5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.243 1.460 6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.535 0.769 9.357 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.811 1.923 8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.533 2.411 10.042 1.00 0.00 H new ATOM 1249 N GLU A 85 5.242 6.199 8.021 1.00 0.00 N ATOM 1250 CA GLU A 85 4.978 7.533 8.574 1.00 0.00 C ATOM 1251 C GLU A 85 5.708 7.684 9.928 1.00 0.00 C ATOM 1252 O GLU A 85 5.334 7.000 10.885 1.00 0.00 O ATOM 1253 CB GLU A 85 3.460 7.739 8.711 1.00 0.00 C ATOM 1254 CG GLU A 85 3.085 9.204 8.961 1.00 0.00 C ATOM 1255 CD GLU A 85 1.601 9.358 9.317 1.00 0.00 C ATOM 1256 OE1 GLU A 85 0.738 8.926 8.517 1.00 0.00 O ATOM 1257 OE2 GLU A 85 1.321 9.875 10.424 1.00 0.00 O ATOM 0 H GLU A 85 4.717 5.465 8.496 1.00 0.00 H new ATOM 0 HA GLU A 85 5.359 8.304 7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.966 7.391 7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.086 7.127 9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.696 9.603 9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.309 9.794 8.072 1.00 0.00 H new ATOM 1264 N PRO A 86 6.776 8.499 10.032 1.00 0.00 N ATOM 1265 CA PRO A 86 7.509 8.775 11.266 1.00 0.00 C ATOM 1266 C PRO A 86 6.963 10.041 11.968 1.00 0.00 C ATOM 1267 O PRO A 86 7.016 11.132 11.379 1.00 0.00 O ATOM 1268 CB PRO A 86 8.954 8.972 10.807 1.00 0.00 C ATOM 1269 CG PRO A 86 8.794 9.641 9.445 1.00 0.00 C ATOM 1270 CD PRO A 86 7.453 9.138 8.921 1.00 0.00 C ATOM 0 HA PRO A 86 7.413 7.972 11.997 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.516 9.598 11.500 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.486 8.024 10.731 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.802 10.727 9.534 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.608 9.370 8.773 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.858 9.963 8.530 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.599 8.434 8.102 1.00 0.00 H new ATOM 1278 N PRO A 87 6.443 9.935 13.210 1.00 0.00 N ATOM 1279 CA PRO A 87 6.082 11.082 14.048 1.00 0.00 C ATOM 1280 C PRO A 87 7.136 12.201 14.105 1.00 0.00 C ATOM 1281 O PRO A 87 8.336 11.978 13.957 1.00 0.00 O ATOM 1282 CB PRO A 87 5.833 10.497 15.442 1.00 0.00 C ATOM 1283 CG PRO A 87 5.339 9.086 15.145 1.00 0.00 C ATOM 1284 CD PRO A 87 6.133 8.691 13.905 1.00 0.00 C ATOM 0 HA PRO A 87 5.210 11.578 13.622 1.00 0.00 H new ATOM 0 HB2 PRO A 87 6.742 10.487 16.043 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.092 11.075 15.995 1.00 0.00 H new ATOM 0 HG2 PRO A 87 5.530 8.409 15.978 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.265 9.067 14.958 1.00 0.00 H new ATOM 0 HD2 PRO A 87 7.045 8.160 14.179 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.554 8.023 13.268 1.00 0.00 H new ATOM 1292 N PHE A 88 6.682 13.431 14.348 1.00 0.00 N ATOM 1293 CA PHE A 88 7.564 14.582 14.536 1.00 0.00 C ATOM 1294 C PHE A 88 8.045 14.661 15.993 1.00 0.00 C ATOM 1295 O PHE A 88 7.390 14.165 16.911 1.00 0.00 O ATOM 1296 CB PHE A 88 6.860 15.852 14.037 1.00 0.00 C ATOM 1297 CG PHE A 88 6.726 15.895 12.519 1.00 0.00 C ATOM 1298 CD1 PHE A 88 5.735 15.140 11.858 1.00 0.00 C ATOM 1299 CD2 PHE A 88 7.622 16.669 11.755 1.00 0.00 C ATOM 1300 CE1 PHE A 88 5.647 15.151 10.453 1.00 0.00 C ATOM 1301 CE2 PHE A 88 7.528 16.691 10.351 1.00 0.00 C ATOM 1302 CZ PHE A 88 6.541 15.932 9.699 1.00 0.00 C ATOM 0 H PHE A 88 5.690 13.657 14.420 1.00 0.00 H new ATOM 0 HA PHE A 88 8.469 14.472 13.938 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.869 15.913 14.487 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.417 16.727 14.373 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.038 14.549 12.434 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.386 17.249 12.250 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.893 14.560 9.954 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.215 17.292 9.774 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.469 15.949 8.622 1.00 0.00 H new ATOM 1312 N GLY A 89 9.226 15.251 16.189 1.00 0.00 N ATOM 1313 CA GLY A 89 10.035 15.105 17.393 1.00 0.00 C ATOM 1314 C GLY A 89 11.035 13.964 17.210 1.00 0.00 C ATOM 1315 O GLY A 89 12.101 14.164 16.631 1.00 0.00 O ATOM 0 H GLY A 89 9.655 15.860 15.492 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.564 16.035 17.601 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.393 14.904 18.251 1.00 0.00 H new ATOM 1319 N ASP A 90 10.670 12.756 17.647 1.00 0.00 N ATOM 1320 CA ASP A 90 11.460 11.531 17.489 1.00 0.00 C ATOM 1321 C ASP A 90 10.640 10.421 16.816 1.00 0.00 C ATOM 1322 O ASP A 90 9.421 10.512 16.646 1.00 0.00 O ATOM 1323 CB ASP A 90 11.992 11.064 18.858 1.00 0.00 C ATOM 1324 CG ASP A 90 13.133 11.937 19.379 1.00 0.00 C ATOM 1325 OD1 ASP A 90 14.109 12.156 18.623 1.00 0.00 O ATOM 1326 OD2 ASP A 90 13.074 12.390 20.545 1.00 0.00 O ATOM 0 H ASP A 90 9.789 12.598 18.136 1.00 0.00 H new ATOM 0 HA ASP A 90 12.307 11.753 16.840 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.176 11.070 19.581 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.337 10.033 18.776 1.00 0.00 H new ATOM 1331 N SER A 91 11.312 9.348 16.399 1.00 0.00 N ATOM 1332 CA SER A 91 10.669 8.136 15.902 1.00 0.00 C ATOM 1333 C SER A 91 11.545 6.903 16.090 1.00 0.00 C ATOM 1334 O SER A 91 12.770 6.986 16.099 1.00 0.00 O ATOM 1335 CB SER A 91 10.340 8.293 14.417 1.00 0.00 C ATOM 1336 OG SER A 91 9.322 9.252 14.262 1.00 0.00 O ATOM 0 H SER A 91 12.331 9.297 16.398 1.00 0.00 H new ATOM 0 HA SER A 91 9.756 7.994 16.481 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.230 8.599 13.867 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.021 7.337 14.001 1.00 0.00 H new ATOM 0 HG SER A 91 9.075 9.612 15.140 1.00 0.00 H new ATOM 1342 N TYR A 92 10.889 5.747 16.160 1.00 0.00 N ATOM 1343 CA TYR A 92 11.443 4.403 16.164 1.00 0.00 C ATOM 1344 C TYR A 92 10.659 3.566 15.148 1.00 0.00 C ATOM 1345 O TYR A 92 9.449 3.368 15.275 1.00 0.00 O ATOM 1346 CB TYR A 92 11.414 3.807 17.576 1.00 0.00 C ATOM 1347 CG TYR A 92 12.553 4.289 18.453 1.00 0.00 C ATOM 1348 CD1 TYR A 92 12.490 5.560 19.060 1.00 0.00 C ATOM 1349 CD2 TYR A 92 13.703 3.491 18.616 1.00 0.00 C ATOM 1350 CE1 TYR A 92 13.579 6.040 19.809 1.00 0.00 C ATOM 1351 CE2 TYR A 92 14.795 3.965 19.368 1.00 0.00 C ATOM 1352 CZ TYR A 92 14.738 5.249 19.955 1.00 0.00 C ATOM 1353 OH TYR A 92 15.805 5.738 20.642 1.00 0.00 O ATOM 0 H TYR A 92 9.871 5.730 16.220 1.00 0.00 H new ATOM 0 HA TYR A 92 12.493 4.415 15.870 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.466 4.061 18.051 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.454 2.720 17.505 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.603 6.166 18.949 1.00 0.00 H new ATOM 0 HD2 TYR A 92 13.747 2.512 18.162 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.528 7.014 20.272 1.00 0.00 H new ATOM 0 HE2 TYR A 92 15.673 3.349 19.496 1.00 0.00 H new ATOM 0 HH TYR A 92 16.522 5.070 20.652 1.00 0.00 H new ATOM 1363 N ILE A 93 11.375 3.134 14.110 1.00 0.00 N ATOM 1364 CA ILE A 93 10.931 2.281 13.014 1.00 0.00 C ATOM 1365 C ILE A 93 11.270 0.843 13.408 1.00 0.00 C ATOM 1366 O ILE A 93 12.443 0.463 13.446 1.00 0.00 O ATOM 1367 CB ILE A 93 11.618 2.727 11.703 1.00 0.00 C ATOM 1368 CG1 ILE A 93 11.264 4.185 11.312 1.00 0.00 C ATOM 1369 CG2 ILE A 93 11.308 1.750 10.558 1.00 0.00 C ATOM 1370 CD1 ILE A 93 9.781 4.462 11.028 1.00 0.00 C ATOM 0 H ILE A 93 12.356 3.393 14.008 1.00 0.00 H new ATOM 0 HA ILE A 93 9.858 2.355 12.836 1.00 0.00 H new ATOM 0 HB ILE A 93 12.692 2.707 11.886 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.590 4.845 12.116 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.840 4.453 10.426 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.803 2.087 9.648 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.669 0.756 10.820 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.231 1.713 10.393 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.651 5.512 10.765 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.446 3.836 10.201 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.192 4.235 11.916 1.00 0.00 H new ATOM 1382 N VAL A 94 10.247 0.070 13.776 1.00 0.00 N ATOM 1383 CA VAL A 94 10.390 -1.227 14.451 1.00 0.00 C ATOM 1384 C VAL A 94 10.018 -2.352 13.485 1.00 0.00 C ATOM 1385 O VAL A 94 9.040 -2.238 12.746 1.00 0.00 O ATOM 1386 CB VAL A 94 9.535 -1.257 15.737 1.00 0.00 C ATOM 1387 CG1 VAL A 94 9.678 -2.598 16.471 1.00 0.00 C ATOM 1388 CG2 VAL A 94 9.950 -0.143 16.713 1.00 0.00 C ATOM 0 H VAL A 94 9.275 0.331 13.611 1.00 0.00 H new ATOM 0 HA VAL A 94 11.427 -1.375 14.751 1.00 0.00 H new ATOM 0 HB VAL A 94 8.502 -1.111 15.421 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.064 -2.587 17.372 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.350 -3.407 15.818 1.00 0.00 H new ATOM 0 HG13 VAL A 94 10.721 -2.753 16.745 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.329 -0.193 17.607 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.996 -0.273 16.990 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.820 0.827 16.234 1.00 0.00 H new ATOM 1398 N VAL A 95 10.808 -3.434 13.481 1.00 0.00 N ATOM 1399 CA VAL A 95 10.659 -4.586 12.584 1.00 0.00 C ATOM 1400 C VAL A 95 10.844 -5.874 13.388 1.00 0.00 C ATOM 1401 O VAL A 95 11.953 -6.171 13.821 1.00 0.00 O ATOM 1402 CB VAL A 95 11.672 -4.516 11.418 1.00 0.00 C ATOM 1403 CG1 VAL A 95 11.512 -5.715 10.470 1.00 0.00 C ATOM 1404 CG2 VAL A 95 11.501 -3.240 10.581 1.00 0.00 C ATOM 0 H VAL A 95 11.594 -3.534 14.123 1.00 0.00 H new ATOM 0 HA VAL A 95 9.660 -4.573 12.148 1.00 0.00 H new ATOM 0 HB VAL A 95 12.659 -4.522 11.880 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.238 -5.638 9.660 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.680 -6.640 11.022 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.504 -5.719 10.055 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.233 -3.234 9.774 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.496 -3.213 10.160 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.652 -2.366 11.215 1.00 0.00 H new ATOM 1414 N GLY A 96 9.778 -6.652 13.585 1.00 0.00 N ATOM 1415 CA GLY A 96 9.846 -7.973 14.211 1.00 0.00 C ATOM 1416 C GLY A 96 8.852 -8.218 15.346 1.00 0.00 C ATOM 1417 O GLY A 96 8.138 -7.322 15.790 1.00 0.00 O ATOM 0 H GLY A 96 8.834 -6.380 13.312 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.685 -8.728 13.442 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.855 -8.121 14.597 1.00 0.00 H new ATOM 1421 N ARG A 97 8.822 -9.468 15.817 1.00 0.00 N ATOM 1422 CA ARG A 97 7.849 -10.005 16.775 1.00 0.00 C ATOM 1423 C ARG A 97 8.564 -10.653 17.962 1.00 0.00 C ATOM 1424 O ARG A 97 9.368 -11.558 17.768 1.00 0.00 O ATOM 1425 CB ARG A 97 6.882 -10.990 16.083 1.00 0.00 C ATOM 1426 CG ARG A 97 7.556 -12.087 15.222 1.00 0.00 C ATOM 1427 CD ARG A 97 6.792 -13.413 15.216 1.00 0.00 C ATOM 1428 NE ARG A 97 6.834 -14.034 16.550 1.00 0.00 N ATOM 1429 CZ ARG A 97 5.843 -14.218 17.406 1.00 0.00 C ATOM 1430 NH1 ARG A 97 4.584 -14.073 17.052 1.00 0.00 N ATOM 1431 NH2 ARG A 97 6.121 -14.539 18.647 1.00 0.00 N ATOM 0 H ARG A 97 9.507 -10.166 15.528 1.00 0.00 H new ATOM 0 HA ARG A 97 7.251 -9.180 17.161 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.274 -11.474 16.848 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.202 -10.421 15.449 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.651 -11.727 14.198 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.566 -12.260 15.594 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.757 -13.243 14.919 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.228 -14.088 14.479 1.00 0.00 H new ATOM 0 HE ARG A 97 7.749 -14.367 16.854 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.350 -13.812 16.094 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.842 -14.222 17.735 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.092 -14.644 18.941 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.366 -14.684 19.318 1.00 0.00 H new ATOM 1445 N GLY A 98 8.256 -10.190 19.179 1.00 0.00 N ATOM 1446 CA GLY A 98 8.734 -10.708 20.467 1.00 0.00 C ATOM 1447 C GLY A 98 10.193 -11.180 20.479 1.00 0.00 C ATOM 1448 O GLY A 98 11.107 -10.376 20.639 1.00 0.00 O ATOM 0 H GLY A 98 7.628 -9.395 19.299 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.614 -9.930 21.221 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.097 -11.541 20.765 1.00 0.00 H new ATOM 1452 N GLU A 99 10.397 -12.490 20.315 1.00 0.00 N ATOM 1453 CA GLU A 99 11.695 -13.171 20.305 1.00 0.00 C ATOM 1454 C GLU A 99 12.627 -12.808 19.132 1.00 0.00 C ATOM 1455 O GLU A 99 13.823 -13.079 19.210 1.00 0.00 O ATOM 1456 CB GLU A 99 11.453 -14.693 20.357 1.00 0.00 C ATOM 1457 CG GLU A 99 10.894 -15.351 19.076 1.00 0.00 C ATOM 1458 CD GLU A 99 9.476 -14.929 18.653 1.00 0.00 C ATOM 1459 OE1 GLU A 99 8.667 -14.459 19.490 1.00 0.00 O ATOM 1460 OE2 GLU A 99 9.151 -15.081 17.454 1.00 0.00 O ATOM 0 H GLU A 99 9.621 -13.138 20.179 1.00 0.00 H new ATOM 0 HA GLU A 99 12.231 -12.820 21.187 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.396 -15.179 20.605 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.763 -14.900 21.175 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.575 -15.131 18.254 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.901 -16.432 19.216 1.00 0.00 H new ATOM 1467 N GLN A 100 12.105 -12.205 18.058 1.00 0.00 N ATOM 1468 CA GLN A 100 12.843 -11.868 16.840 1.00 0.00 C ATOM 1469 C GLN A 100 12.490 -10.448 16.374 1.00 0.00 C ATOM 1470 O GLN A 100 11.525 -10.253 15.634 1.00 0.00 O ATOM 1471 CB GLN A 100 12.639 -12.966 15.767 1.00 0.00 C ATOM 1472 CG GLN A 100 11.181 -13.235 15.347 1.00 0.00 C ATOM 1473 CD GLN A 100 11.015 -14.523 14.547 1.00 0.00 C ATOM 1474 OE1 GLN A 100 11.510 -14.666 13.440 1.00 0.00 O ATOM 1475 NE2 GLN A 100 10.278 -15.488 15.055 1.00 0.00 N ATOM 0 H GLN A 100 11.124 -11.930 18.013 1.00 0.00 H new ATOM 0 HA GLN A 100 13.914 -11.850 17.043 1.00 0.00 H new ATOM 0 HB2 GLN A 100 13.207 -12.689 14.879 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.066 -13.896 16.141 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.556 -13.285 16.239 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.820 -12.396 14.752 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.860 -15.378 15.979 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.125 -16.346 14.525 1.00 0.00 H new ATOM 1484 N GLN A 101 13.257 -9.441 16.823 1.00 0.00 N ATOM 1485 CA GLN A 101 13.074 -8.053 16.384 1.00 0.00 C ATOM 1486 C GLN A 101 14.372 -7.284 16.136 1.00 0.00 C ATOM 1487 O GLN A 101 15.445 -7.646 16.613 1.00 0.00 O ATOM 1488 CB GLN A 101 12.112 -7.299 17.331 1.00 0.00 C ATOM 1489 CG GLN A 101 12.764 -6.636 18.567 1.00 0.00 C ATOM 1490 CD GLN A 101 12.855 -5.109 18.448 1.00 0.00 C ATOM 1491 OE1 GLN A 101 13.897 -4.515 18.194 1.00 0.00 O ATOM 1492 NE2 GLN A 101 11.753 -4.411 18.644 1.00 0.00 N ATOM 0 H GLN A 101 14.014 -9.567 17.495 1.00 0.00 H new ATOM 0 HA GLN A 101 12.612 -8.112 15.399 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.599 -6.527 16.757 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.351 -7.998 17.677 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.188 -6.892 19.456 1.00 0.00 H new ATOM 0 HG3 GLN A 101 13.765 -7.045 18.706 1.00 0.00 H new ATOM 0 HE21 GLN A 101 10.877 -4.889 18.856 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.776 -3.393 18.583 1.00 0.00 H new ATOM 1501 N ILE A 102 14.211 -6.188 15.395 1.00 0.00 N ATOM 1502 CA ILE A 102 15.179 -5.143 15.096 1.00 0.00 C ATOM 1503 C ILE A 102 14.445 -3.796 15.121 1.00 0.00 C ATOM 1504 O ILE A 102 13.217 -3.722 14.998 1.00 0.00 O ATOM 1505 CB ILE A 102 15.869 -5.344 13.714 1.00 0.00 C ATOM 1506 CG1 ILE A 102 15.506 -6.646 12.957 1.00 0.00 C ATOM 1507 CG2 ILE A 102 17.388 -5.220 13.922 1.00 0.00 C ATOM 1508 CD1 ILE A 102 16.003 -6.689 11.505 1.00 0.00 C ATOM 0 H ILE A 102 13.314 -5.995 14.949 1.00 0.00 H new ATOM 0 HA ILE A 102 15.969 -5.178 15.846 1.00 0.00 H new ATOM 0 HB ILE A 102 15.486 -4.565 13.055 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.923 -7.496 13.497 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.423 -6.766 12.962 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.898 -5.357 12.969 1.00 0.00 H new ATOM 0 HG22 ILE A 102 17.621 -4.232 14.320 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.722 -5.983 14.625 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.707 -7.633 11.047 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.565 -5.862 10.946 1.00 0.00 H new ATOM 0 HD13 ILE A 102 17.089 -6.603 11.490 1.00 0.00 H new ATOM 1520 N ASN A 103 15.204 -2.706 15.222 1.00 0.00 N ATOM 1521 CA ASN A 103 14.667 -1.359 15.110 1.00 0.00 C ATOM 1522 C ASN A 103 15.716 -0.396 14.540 1.00 0.00 C ATOM 1523 O ASN A 103 16.920 -0.601 14.686 1.00 0.00 O ATOM 1524 CB ASN A 103 14.111 -0.914 16.480 1.00 0.00 C ATOM 1525 CG ASN A 103 15.133 -0.949 17.609 1.00 0.00 C ATOM 1526 OD1 ASN A 103 15.776 0.044 17.908 1.00 0.00 O ATOM 1527 ND2 ASN A 103 15.286 -2.067 18.298 1.00 0.00 N ATOM 0 H ASN A 103 16.211 -2.737 15.384 1.00 0.00 H new ATOM 0 HA ASN A 103 13.839 -1.347 14.402 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.721 0.100 16.389 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.271 -1.556 16.745 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.941 -2.099 19.079 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.749 -2.897 18.049 1.00 0.00 H new ATOM 1534 N HIS A 104 15.224 0.672 13.917 1.00 0.00 N ATOM 1535 CA HIS A 104 15.956 1.885 13.566 1.00 0.00 C ATOM 1536 C HIS A 104 15.210 3.086 14.167 1.00 0.00 C ATOM 1537 O HIS A 104 14.082 2.949 14.640 1.00 0.00 O ATOM 1538 CB HIS A 104 16.084 1.995 12.035 1.00 0.00 C ATOM 1539 CG HIS A 104 17.067 1.045 11.389 1.00 0.00 C ATOM 1540 ND1 HIS A 104 16.962 0.526 10.115 1.00 0.00 N ATOM 1541 CD2 HIS A 104 18.275 0.640 11.897 1.00 0.00 C ATOM 1542 CE1 HIS A 104 18.091 -0.156 9.859 1.00 0.00 C ATOM 1543 NE2 HIS A 104 18.915 -0.119 10.914 1.00 0.00 N ATOM 0 H HIS A 104 14.247 0.716 13.627 1.00 0.00 H new ATOM 0 HA HIS A 104 16.968 1.860 13.971 1.00 0.00 H new ATOM 0 HB2 HIS A 104 15.101 1.827 11.594 1.00 0.00 H new ATOM 0 HB3 HIS A 104 16.376 3.015 11.786 1.00 0.00 H new ATOM 0 HD2 HIS A 104 18.662 0.867 12.880 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.305 -0.664 8.930 1.00 0.00 H new ATOM 0 HE2 HIS A 104 19.832 -0.560 10.986 1.00 0.00 H new ATOM 1551 N HIS A 105 15.819 4.274 14.154 1.00 0.00 N ATOM 1552 CA HIS A 105 15.234 5.468 14.761 1.00 0.00 C ATOM 1553 C HIS A 105 15.458 6.720 13.916 1.00 0.00 C ATOM 1554 O HIS A 105 16.288 6.737 13.007 1.00 0.00 O ATOM 1555 CB HIS A 105 15.738 5.616 16.207 1.00 0.00 C ATOM 1556 CG HIS A 105 17.236 5.564 16.378 1.00 0.00 C ATOM 1557 ND1 HIS A 105 18.085 6.642 16.498 1.00 0.00 N ATOM 1558 CD2 HIS A 105 17.990 4.427 16.501 1.00 0.00 C ATOM 1559 CE1 HIS A 105 19.326 6.159 16.680 1.00 0.00 C ATOM 1560 NE2 HIS A 105 19.318 4.817 16.684 1.00 0.00 N ATOM 0 H HIS A 105 16.730 4.433 13.723 1.00 0.00 H new ATOM 0 HA HIS A 105 14.152 5.345 14.797 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.377 6.564 16.605 1.00 0.00 H new ATOM 0 HB3 HIS A 105 15.293 4.826 16.812 1.00 0.00 H new ATOM 0 HD1 HIS A 105 17.820 7.626 16.456 1.00 0.00 H new ATOM 0 HD2 HIS A 105 17.623 3.412 16.463 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.209 6.768 16.806 1.00 0.00 H new ATOM 1568 N TRP A 106 14.672 7.757 14.214 1.00 0.00 N ATOM 1569 CA TRP A 106 14.680 9.046 13.536 1.00 0.00 C ATOM 1570 C TRP A 106 14.438 10.199 14.509 1.00 0.00 C ATOM 1571 O TRP A 106 13.883 10.021 15.593 1.00 0.00 O ATOM 1572 CB TRP A 106 13.656 9.054 12.388 1.00 0.00 C ATOM 1573 CG TRP A 106 14.309 9.191 11.053 1.00 0.00 C ATOM 1574 CD1 TRP A 106 14.890 8.180 10.377 1.00 0.00 C ATOM 1575 CD2 TRP A 106 14.589 10.400 10.285 1.00 0.00 C ATOM 1576 NE1 TRP A 106 15.498 8.673 9.243 1.00 0.00 N ATOM 1577 CE2 TRP A 106 15.372 10.041 9.150 1.00 0.00 C ATOM 1578 CE3 TRP A 106 14.302 11.770 10.462 1.00 0.00 C ATOM 1579 CZ2 TRP A 106 15.859 10.992 8.239 1.00 0.00 C ATOM 1580 CZ3 TRP A 106 14.770 12.732 9.546 1.00 0.00 C ATOM 1581 CH2 TRP A 106 15.547 12.347 8.438 1.00 0.00 C ATOM 0 H TRP A 106 13.985 7.715 14.967 1.00 0.00 H new ATOM 0 HA TRP A 106 15.672 9.196 13.110 1.00 0.00 H new ATOM 0 HB2 TRP A 106 13.076 8.132 12.414 1.00 0.00 H new ATOM 0 HB3 TRP A 106 12.955 9.876 12.534 1.00 0.00 H new ATOM 0 HD1 TRP A 106 14.880 7.143 10.678 1.00 0.00 H new ATOM 0 HE1 TRP A 106 15.982 8.095 8.556 1.00 0.00 H new ATOM 0 HE3 TRP A 106 13.715 12.085 11.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.464 10.686 7.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.530 13.774 9.695 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.903 13.092 7.742 1.00 0.00 H new ATOM 1592 N HIS A 107 14.862 11.388 14.086 1.00 0.00 N ATOM 1593 CA HIS A 107 14.987 12.593 14.899 1.00 0.00 C ATOM 1594 C HIS A 107 14.640 13.783 13.997 1.00 0.00 C ATOM 1595 O HIS A 107 15.358 14.020 13.021 1.00 0.00 O ATOM 1596 CB HIS A 107 16.435 12.653 15.422 1.00 0.00 C ATOM 1597 CG HIS A 107 16.833 11.437 16.234 1.00 0.00 C ATOM 1598 ND1 HIS A 107 16.191 10.958 17.354 1.00 0.00 N ATOM 1599 CD2 HIS A 107 17.808 10.533 15.907 1.00 0.00 C ATOM 1600 CE1 HIS A 107 16.765 9.794 17.694 1.00 0.00 C ATOM 1601 NE2 HIS A 107 17.754 9.491 16.837 1.00 0.00 N ATOM 0 H HIS A 107 15.142 11.544 13.117 1.00 0.00 H new ATOM 0 HA HIS A 107 14.317 12.604 15.759 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.115 12.754 14.576 1.00 0.00 H new ATOM 0 HB3 HIS A 107 16.555 13.546 16.036 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.416 11.409 17.840 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.496 10.611 15.078 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.473 9.186 18.538 1.00 0.00 H new ATOM 1609 N LYS A 108 13.500 14.453 14.224 1.00 0.00 N ATOM 1610 CA LYS A 108 12.898 15.367 13.239 1.00 0.00 C ATOM 1611 C LYS A 108 12.018 16.473 13.836 1.00 0.00 C ATOM 1612 O LYS A 108 10.852 16.252 14.162 1.00 0.00 O ATOM 1613 CB LYS A 108 12.132 14.572 12.160 1.00 0.00 C ATOM 1614 CG LYS A 108 11.245 13.421 12.682 1.00 0.00 C ATOM 1615 CD LYS A 108 10.393 12.802 11.566 1.00 0.00 C ATOM 1616 CE LYS A 108 9.273 13.755 11.134 1.00 0.00 C ATOM 1617 NZ LYS A 108 8.447 13.166 10.064 1.00 0.00 N ATOM 0 H LYS A 108 12.970 14.378 15.092 1.00 0.00 H new ATOM 0 HA LYS A 108 13.737 15.893 12.783 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.504 15.266 11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.855 14.159 11.457 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.875 12.651 13.127 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.593 13.795 13.471 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.025 12.567 10.710 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.962 11.862 11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.644 13.992 11.992 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.706 14.693 10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.798 13.887 9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.063 12.823 9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.897 12.371 10.448 1.00 0.00 H new ATOM 1631 N SER A 109 12.552 17.699 13.850 1.00 0.00 N ATOM 1632 CA SER A 109 11.856 18.959 14.149 1.00 0.00 C ATOM 1633 C SER A 109 11.331 19.056 15.593 1.00 0.00 C ATOM 1634 O SER A 109 10.240 19.585 15.824 1.00 0.00 O ATOM 1635 CB SER A 109 10.775 19.221 13.087 1.00 0.00 C ATOM 1636 OG SER A 109 10.122 20.440 13.354 1.00 0.00 O ATOM 0 H SER A 109 13.539 17.849 13.641 1.00 0.00 H new ATOM 0 HA SER A 109 12.591 19.762 14.092 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.227 19.251 12.096 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.052 18.405 13.083 1.00 0.00 H new ATOM 0 HG SER A 109 9.760 20.425 14.264 1.00 0.00 H new ATOM 1642 N GLY A 110 12.116 18.576 16.561 1.00 0.00 N ATOM 1643 CA GLY A 110 11.804 18.637 17.993 1.00 0.00 C ATOM 1644 C GLY A 110 12.354 17.462 18.805 1.00 0.00 C ATOM 1645 O GLY A 110 11.792 17.129 19.844 1.00 0.00 O ATOM 0 H GLY A 110 13.009 18.123 16.367 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.204 19.565 18.401 1.00 0.00 H new ATOM 0 HA3 GLY A 110 10.722 18.675 18.116 1.00 0.00 H new ATOM 1649 N SER A 111 13.390 16.785 18.302 1.00 0.00 N ATOM 1650 CA SER A 111 13.939 15.557 18.867 1.00 0.00 C ATOM 1651 C SER A 111 14.563 15.738 20.253 1.00 0.00 C ATOM 1652 O SER A 111 15.130 16.784 20.573 1.00 0.00 O ATOM 1653 CB SER A 111 15.011 15.052 17.900 1.00 0.00 C ATOM 1654 OG SER A 111 15.666 13.917 18.414 1.00 0.00 O ATOM 0 H SER A 111 13.883 17.090 17.463 1.00 0.00 H new ATOM 0 HA SER A 111 13.118 14.851 18.995 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.554 14.808 16.941 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.739 15.842 17.714 1.00 0.00 H new ATOM 0 HG SER A 111 15.009 13.320 18.829 1.00 0.00 H new ATOM 1660 N SER A 112 14.613 14.633 21.001 1.00 0.00 N ATOM 1661 CA SER A 112 15.456 14.404 22.177 1.00 0.00 C ATOM 1662 C SER A 112 16.952 14.670 21.928 1.00 0.00 C ATOM 1663 O SER A 112 17.680 14.915 22.887 1.00 0.00 O ATOM 1664 CB SER A 112 15.284 12.954 22.658 1.00 0.00 C ATOM 1665 OG SER A 112 13.920 12.592 22.787 1.00 0.00 O ATOM 0 H SER A 112 14.029 13.824 20.788 1.00 0.00 H new ATOM 0 HA SER A 112 15.126 15.117 22.933 1.00 0.00 H new ATOM 0 HB2 SER A 112 15.772 12.279 21.955 1.00 0.00 H new ATOM 0 HB3 SER A 112 15.784 12.830 23.619 1.00 0.00 H new ATOM 0 HG SER A 112 13.620 12.149 21.966 1.00 0.00 H new ATOM 1671 N ILE A 113 17.414 14.660 20.664 1.00 0.00 N ATOM 1672 CA ILE A 113 18.782 15.038 20.262 1.00 0.00 C ATOM 1673 C ILE A 113 18.867 16.466 19.675 1.00 0.00 C ATOM 1674 O ILE A 113 19.943 16.908 19.278 1.00 0.00 O ATOM 1675 CB ILE A 113 19.391 13.936 19.352 1.00 0.00 C ATOM 1676 CG1 ILE A 113 20.920 13.782 19.518 1.00 0.00 C ATOM 1677 CG2 ILE A 113 19.089 14.154 17.859 1.00 0.00 C ATOM 1678 CD1 ILE A 113 21.339 13.179 20.865 1.00 0.00 C ATOM 0 H ILE A 113 16.832 14.382 19.874 1.00 0.00 H new ATOM 0 HA ILE A 113 19.402 15.092 21.157 1.00 0.00 H new ATOM 0 HB ILE A 113 18.903 13.022 19.689 1.00 0.00 H new ATOM 0 HG12 ILE A 113 21.302 13.152 18.714 1.00 0.00 H new ATOM 0 HG13 ILE A 113 21.388 14.760 19.407 1.00 0.00 H new ATOM 0 HG21 ILE A 113 19.541 13.352 17.275 1.00 0.00 H new ATOM 0 HG22 ILE A 113 18.010 14.154 17.702 1.00 0.00 H new ATOM 0 HG23 ILE A 113 19.502 15.111 17.540 1.00 0.00 H new ATOM 0 HD11 ILE A 113 22.425 13.102 20.907 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.989 13.819 21.675 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.901 12.187 20.971 1.00 0.00 H new ATOM 1690 N GLY A 114 17.751 17.210 19.635 1.00 0.00 N ATOM 1691 CA GLY A 114 17.710 18.642 19.322 1.00 0.00 C ATOM 1692 C GLY A 114 17.439 19.006 17.857 1.00 0.00 C ATOM 1693 O GLY A 114 17.489 20.191 17.529 1.00 0.00 O ATOM 0 H GLY A 114 16.828 16.819 19.825 1.00 0.00 H new ATOM 0 HA2 GLY A 114 16.940 19.106 19.939 1.00 0.00 H new ATOM 0 HA3 GLY A 114 18.662 19.084 19.615 1.00 0.00 H new ATOM 1697 N LYS A 115 17.157 18.026 16.985 1.00 0.00 N ATOM 1698 CA LYS A 115 16.890 18.230 15.549 1.00 0.00 C ATOM 1699 C LYS A 115 15.504 17.753 15.089 1.00 0.00 C ATOM 1700 O LYS A 115 14.617 17.556 15.949 1.00 0.00 O ATOM 1701 CB LYS A 115 18.051 17.650 14.715 1.00 0.00 C ATOM 1702 CG LYS A 115 18.043 16.109 14.623 1.00 0.00 C ATOM 1703 CD LYS A 115 18.679 15.557 13.335 1.00 0.00 C ATOM 1704 CE LYS A 115 18.110 16.127 12.021 1.00 0.00 C ATOM 1705 NZ LYS A 115 16.628 16.164 12.000 1.00 0.00 N ATOM 0 H LYS A 115 17.107 17.046 17.263 1.00 0.00 H new ATOM 0 HA LYS A 115 16.849 19.305 15.375 1.00 0.00 H new ATOM 0 HB2 LYS A 115 18.005 18.065 13.708 1.00 0.00 H new ATOM 0 HB3 LYS A 115 18.996 17.974 15.151 1.00 0.00 H new ATOM 0 HG2 LYS A 115 18.575 15.701 15.483 1.00 0.00 H new ATOM 0 HG3 LYS A 115 17.014 15.756 14.688 1.00 0.00 H new ATOM 0 HD2 LYS A 115 19.750 15.757 13.364 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.557 14.474 13.325 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.495 17.136 11.872 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.465 15.523 11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.290 15.969 11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.254 15.444 12.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.300 17.105 12.299 1.00 0.00 H new TER 1719 LYS A 115