USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 835 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: X 6 SER OG : rot 180:sc= -0.476 USER MOD Set 1.2: X 8 HIS : no HD1:sc= -1.81! K(o=-2.3!,f=-0.23) USER MOD Single : X 1 MET CE :methyl 153:sc= -0.237 (180deg=-1.29!) USER MOD Single : X 1 MET N :NH3+ 163:sc= 0.00477 (180deg=0) USER MOD Single : X 3 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.24) USER MOD Single : X 7 GLN : amide:sc= -0.0424 K(o=-0.042,f=-1.6!) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= -0.0306 K(o=-0.031,f=-1.8!) USER MOD Single : X 16 LYS NZ :NH3+ 173:sc= -3.81! (180deg=-3.96!) USER MOD Single : X 17 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 20 LYS NZ :NH3+ -167:sc= -2.56! (180deg=-3.38!) USER MOD Single : X 21 THR OG1 : rot -12:sc= 0.542 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0523) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ 149:sc= -0.546 (180deg=-3.47!) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 108:sc= 1.06 USER MOD Single : X 42 CYS SG : rot 180:sc= -3.27! USER MOD Single : X 47 GLN : amide:sc= -0.0873 K(o=-0.087,f=-1.3!) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ -162:sc= -0.105 (180deg=-0.692) USER MOD Single : X 62 CYS SG : rot 80:sc= 0.627 USER MOD Single : X 64 GLN : amide:sc=-0.00568 K(o=-0.0057,f=-1.7!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -1.94 K(o=-1.9,f=-6!) USER MOD Single : X 69 THR OG1 : rot 106:sc= 0.855 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= 0 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot -120:sc= 1.85 USER MOD Single : X 84 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.9!) USER MOD Single : X 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0141) USER MOD Single : X 96 ASN : amide:sc= -1.28! C(o=-1.3!,f=-7!) USER MOD Single : X 98 GLN : amide:sc= -0.294 K(o=-0.29,f=-1.4!) USER MOD Single : X 100 MET CE :methyl -148:sc= -0.166 (180deg=-0.972) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 73.433 -6.024 -2.196 1.00 1.00 N ATOM 2 CA MET X 1 72.195 -6.343 -1.429 1.00 1.00 C ATOM 3 C MET X 1 71.421 -7.449 -2.147 1.00 1.00 C ATOM 4 O MET X 1 71.540 -7.628 -3.343 1.00 1.00 O ATOM 5 CB MET X 1 71.321 -5.090 -1.331 1.00 1.00 C ATOM 6 CG MET X 1 70.136 -5.367 -0.403 1.00 1.00 C ATOM 7 SD MET X 1 69.159 -3.858 -0.206 1.00 1.00 S ATOM 8 CE MET X 1 68.582 -3.736 -1.917 1.00 1.00 C ATOM 0 H1 MET X 1 73.806 -5.104 -1.887 1.00 1.00 H new ATOM 0 H2 MET X 1 74.146 -6.761 -2.026 1.00 1.00 H new ATOM 0 H3 MET X 1 73.212 -5.984 -3.211 1.00 1.00 H new ATOM 0 HA MET X 1 72.464 -6.679 -0.428 1.00 1.00 H new ATOM 0 HB2 MET X 1 71.907 -4.253 -0.950 1.00 1.00 H new ATOM 0 HB3 MET X 1 70.963 -4.805 -2.320 1.00 1.00 H new ATOM 0 HG2 MET X 1 69.516 -6.163 -0.815 1.00 1.00 H new ATOM 0 HG3 MET X 1 70.493 -5.711 0.568 1.00 1.00 H new ATOM 0 HE1 MET X 1 67.630 -3.206 -1.943 1.00 1.00 H new ATOM 0 HE2 MET X 1 69.317 -3.192 -2.511 1.00 1.00 H new ATOM 0 HE3 MET X 1 68.451 -4.737 -2.329 1.00 1.00 H new ATOM 20 N GLY X 2 70.628 -8.194 -1.427 1.00 1.00 N ATOM 21 CA GLY X 2 69.846 -9.290 -2.070 1.00 1.00 C ATOM 22 C GLY X 2 70.658 -10.586 -2.035 1.00 1.00 C ATOM 23 O GLY X 2 70.228 -11.612 -2.522 1.00 1.00 O ATOM 0 H GLY X 2 70.487 -8.092 -0.422 1.00 1.00 H new ATOM 0 HA2 GLY X 2 68.898 -9.428 -1.550 1.00 1.00 H new ATOM 0 HA3 GLY X 2 69.608 -9.025 -3.100 1.00 1.00 H new ATOM 27 N GLN X 3 71.831 -10.547 -1.461 1.00 1.00 N ATOM 28 CA GLN X 3 72.669 -11.778 -1.395 1.00 1.00 C ATOM 29 C GLN X 3 72.370 -12.531 -0.098 1.00 1.00 C ATOM 30 O GLN X 3 71.909 -11.959 0.870 1.00 1.00 O ATOM 31 CB GLN X 3 74.149 -11.389 -1.432 1.00 1.00 C ATOM 32 CG GLN X 3 74.443 -10.614 -2.719 1.00 1.00 C ATOM 33 CD GLN X 3 74.241 -11.533 -3.925 1.00 1.00 C ATOM 34 OE1 GLN X 3 74.807 -12.606 -3.989 1.00 1.00 O ATOM 35 NE2 GLN X 3 73.451 -11.154 -4.893 1.00 1.00 N ATOM 0 H GLN X 3 72.244 -9.717 -1.036 1.00 1.00 H new ATOM 0 HA GLN X 3 72.441 -12.419 -2.246 1.00 1.00 H new ATOM 0 HB2 GLN X 3 74.397 -10.779 -0.563 1.00 1.00 H new ATOM 0 HB3 GLN X 3 74.772 -12.282 -1.383 1.00 1.00 H new ATOM 0 HG2 GLN X 3 73.785 -9.749 -2.793 1.00 1.00 H new ATOM 0 HG3 GLN X 3 75.465 -10.236 -2.703 1.00 1.00 H new ATOM 0 HE21 GLN X 3 72.975 -10.253 -4.840 1.00 1.00 H new ATOM 0 HE22 GLN X 3 73.309 -11.759 -5.702 1.00 1.00 H new ATOM 44 N GLU X 4 72.629 -13.809 -0.069 1.00 1.00 N ATOM 45 CA GLU X 4 72.362 -14.597 1.168 1.00 1.00 C ATOM 46 C GLU X 4 73.264 -14.096 2.298 1.00 1.00 C ATOM 47 O GLU X 4 74.451 -13.901 2.118 1.00 1.00 O ATOM 48 CB GLU X 4 72.652 -16.075 0.903 1.00 1.00 C ATOM 49 CG GLU X 4 71.646 -16.619 -0.114 1.00 1.00 C ATOM 50 CD GLU X 4 71.987 -18.074 -0.442 1.00 1.00 C ATOM 51 OE1 GLU X 4 72.816 -18.639 0.254 1.00 1.00 O ATOM 52 OE2 GLU X 4 71.416 -18.598 -1.384 1.00 1.00 O ATOM 0 H GLU X 4 73.014 -14.342 -0.848 1.00 1.00 H new ATOM 0 HA GLU X 4 71.318 -14.477 1.456 1.00 1.00 H new ATOM 0 HB2 GLU X 4 73.668 -16.195 0.526 1.00 1.00 H new ATOM 0 HB3 GLU X 4 72.588 -16.641 1.832 1.00 1.00 H new ATOM 0 HG2 GLU X 4 70.635 -16.553 0.288 1.00 1.00 H new ATOM 0 HG3 GLU X 4 71.668 -16.016 -1.022 1.00 1.00 H new ATOM 59 N LEU X 5 72.712 -13.884 3.461 1.00 1.00 N ATOM 60 CA LEU X 5 73.539 -13.399 4.602 1.00 1.00 C ATOM 61 C LEU X 5 74.165 -14.596 5.324 1.00 1.00 C ATOM 62 O LEU X 5 73.503 -15.311 6.049 1.00 1.00 O ATOM 63 CB LEU X 5 72.657 -12.618 5.578 1.00 1.00 C ATOM 64 CG LEU X 5 72.308 -11.257 4.974 1.00 1.00 C ATOM 65 CD1 LEU X 5 71.253 -10.569 5.842 1.00 1.00 C ATOM 66 CD2 LEU X 5 73.566 -10.388 4.916 1.00 1.00 C ATOM 0 H LEU X 5 71.724 -14.026 3.671 1.00 1.00 H new ATOM 0 HA LEU X 5 74.328 -12.748 4.227 1.00 1.00 H new ATOM 0 HB2 LEU X 5 71.746 -13.178 5.790 1.00 1.00 H new ATOM 0 HB3 LEU X 5 73.177 -12.484 6.527 1.00 1.00 H new ATOM 0 HG LEU X 5 71.915 -11.396 3.967 1.00 1.00 H new ATOM 0 HD11 LEU X 5 71.004 -9.599 5.412 1.00 1.00 H new ATOM 0 HD12 LEU X 5 70.357 -11.188 5.884 1.00 1.00 H new ATOM 0 HD13 LEU X 5 71.645 -10.429 6.849 1.00 1.00 H new ATOM 0 HD21 LEU X 5 73.318 -9.418 4.486 1.00 1.00 H new ATOM 0 HD22 LEU X 5 73.959 -10.249 5.923 1.00 1.00 H new ATOM 0 HD23 LEU X 5 74.318 -10.878 4.298 1.00 1.00 H new ATOM 78 N SER X 6 75.436 -14.816 5.132 1.00 1.00 N ATOM 79 CA SER X 6 76.106 -15.963 5.811 1.00 1.00 C ATOM 80 C SER X 6 76.595 -15.526 7.193 1.00 1.00 C ATOM 81 O SER X 6 76.497 -14.371 7.560 1.00 1.00 O ATOM 82 CB SER X 6 77.298 -16.425 4.972 1.00 1.00 C ATOM 83 OG SER X 6 78.111 -15.303 4.654 1.00 1.00 O ATOM 0 H SER X 6 76.041 -14.252 4.535 1.00 1.00 H new ATOM 0 HA SER X 6 75.397 -16.784 5.920 1.00 1.00 H new ATOM 0 HB2 SER X 6 77.879 -17.166 5.521 1.00 1.00 H new ATOM 0 HB3 SER X 6 76.950 -16.907 4.058 1.00 1.00 H new ATOM 0 HG SER X 6 78.877 -15.596 4.118 1.00 1.00 H new ATOM 89 N GLN X 7 77.120 -16.438 7.963 1.00 1.00 N ATOM 90 CA GLN X 7 77.608 -16.075 9.323 1.00 1.00 C ATOM 91 C GLN X 7 78.571 -14.891 9.219 1.00 1.00 C ATOM 92 O GLN X 7 78.514 -13.961 9.998 1.00 1.00 O ATOM 93 CB GLN X 7 78.333 -17.271 9.944 1.00 1.00 C ATOM 94 CG GLN X 7 78.825 -16.902 11.345 1.00 1.00 C ATOM 95 CD GLN X 7 79.359 -18.154 12.046 1.00 1.00 C ATOM 96 OE1 GLN X 7 78.934 -19.254 11.755 1.00 1.00 O ATOM 97 NE2 GLN X 7 80.277 -18.030 12.965 1.00 1.00 N ATOM 0 H GLN X 7 77.232 -17.420 7.709 1.00 1.00 H new ATOM 0 HA GLN X 7 76.761 -15.801 9.951 1.00 1.00 H new ATOM 0 HB2 GLN X 7 77.662 -18.128 9.997 1.00 1.00 H new ATOM 0 HB3 GLN X 7 79.175 -17.564 9.317 1.00 1.00 H new ATOM 0 HG2 GLN X 7 79.609 -16.147 11.280 1.00 1.00 H new ATOM 0 HG3 GLN X 7 78.011 -16.467 11.925 1.00 1.00 H new ATOM 0 HE21 GLN X 7 80.633 -17.106 13.209 1.00 1.00 H new ATOM 0 HE22 GLN X 7 80.638 -18.857 13.440 1.00 1.00 H new ATOM 106 N HIS X 8 79.458 -14.919 8.261 1.00 1.00 N ATOM 107 CA HIS X 8 80.429 -13.798 8.110 1.00 1.00 C ATOM 108 C HIS X 8 79.686 -12.533 7.677 1.00 1.00 C ATOM 109 O HIS X 8 79.914 -11.459 8.198 1.00 1.00 O ATOM 110 CB HIS X 8 81.469 -14.165 7.051 1.00 1.00 C ATOM 111 CG HIS X 8 81.616 -15.660 6.989 1.00 1.00 C ATOM 112 ND1 HIS X 8 82.586 -16.339 7.714 1.00 1.00 N ATOM 113 CD2 HIS X 8 80.925 -16.623 6.295 1.00 1.00 C ATOM 114 CE1 HIS X 8 82.453 -17.651 7.443 1.00 1.00 C ATOM 115 NE2 HIS X 8 81.456 -17.875 6.584 1.00 1.00 N ATOM 0 H HIS X 8 79.552 -15.670 7.577 1.00 1.00 H new ATOM 0 HA HIS X 8 80.927 -13.618 9.063 1.00 1.00 H new ATOM 0 HB2 HIS X 8 81.165 -13.778 6.078 1.00 1.00 H new ATOM 0 HB3 HIS X 8 82.427 -13.704 7.292 1.00 1.00 H new ATOM 0 HD2 HIS X 8 80.097 -16.436 5.628 1.00 1.00 H new ATOM 0 HE1 HIS X 8 83.075 -18.425 7.867 1.00 1.00 H new ATOM 0 HE2 HIS X 8 81.148 -18.776 6.217 1.00 1.00 H new ATOM 123 N GLU X 9 78.797 -12.650 6.728 1.00 1.00 N ATOM 124 CA GLU X 9 78.043 -11.451 6.263 1.00 1.00 C ATOM 125 C GLU X 9 77.248 -10.866 7.433 1.00 1.00 C ATOM 126 O GLU X 9 77.151 -9.665 7.593 1.00 1.00 O ATOM 127 CB GLU X 9 77.082 -11.857 5.144 1.00 1.00 C ATOM 128 CG GLU X 9 77.883 -12.290 3.915 1.00 1.00 C ATOM 129 CD GLU X 9 78.616 -11.082 3.331 1.00 1.00 C ATOM 130 OE1 GLU X 9 78.236 -9.969 3.656 1.00 1.00 O ATOM 131 OE2 GLU X 9 79.545 -11.288 2.568 1.00 1.00 O ATOM 0 H GLU X 9 78.561 -13.522 6.255 1.00 1.00 H new ATOM 0 HA GLU X 9 78.741 -10.703 5.888 1.00 1.00 H new ATOM 0 HB2 GLU X 9 76.441 -12.672 5.479 1.00 1.00 H new ATOM 0 HB3 GLU X 9 76.429 -11.022 4.890 1.00 1.00 H new ATOM 0 HG2 GLU X 9 78.599 -13.065 4.189 1.00 1.00 H new ATOM 0 HG3 GLU X 9 77.217 -12.721 3.167 1.00 1.00 H new ATOM 138 N ARG X 10 76.679 -11.707 8.254 1.00 1.00 N ATOM 139 CA ARG X 10 75.897 -11.201 9.417 1.00 1.00 C ATOM 140 C ARG X 10 76.816 -10.406 10.347 1.00 1.00 C ATOM 141 O ARG X 10 76.429 -9.397 10.903 1.00 1.00 O ATOM 142 CB ARG X 10 75.300 -12.385 10.182 1.00 1.00 C ATOM 143 CG ARG X 10 74.173 -13.010 9.358 1.00 1.00 C ATOM 144 CD ARG X 10 73.610 -14.225 10.099 1.00 1.00 C ATOM 145 NE ARG X 10 72.494 -14.818 9.308 1.00 1.00 N ATOM 146 CZ ARG X 10 71.684 -15.676 9.864 1.00 1.00 C ATOM 147 NH1 ARG X 10 71.850 -16.015 11.113 1.00 1.00 N ATOM 148 NH2 ARG X 10 70.709 -16.197 9.171 1.00 1.00 N ATOM 0 H ARG X 10 76.722 -12.723 8.169 1.00 1.00 H new ATOM 0 HA ARG X 10 75.095 -10.554 9.061 1.00 1.00 H new ATOM 0 HB2 ARG X 10 76.072 -13.128 10.384 1.00 1.00 H new ATOM 0 HB3 ARG X 10 74.918 -12.052 11.147 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.384 -12.278 9.187 1.00 1.00 H new ATOM 0 HG3 ARG X 10 74.547 -13.309 8.379 1.00 1.00 H new ATOM 0 HD2 ARG X 10 74.395 -14.966 10.253 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.253 -13.929 11.086 1.00 1.00 H new ATOM 0 HE ARG X 10 72.364 -14.553 8.332 1.00 1.00 H new ATOM 0 HH11 ARG X 10 72.613 -15.609 11.655 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.217 -16.686 11.548 1.00 1.00 H new ATOM 0 HH21 ARG X 10 70.580 -15.933 8.194 1.00 1.00 H new ATOM 0 HH22 ARG X 10 70.076 -16.868 9.606 1.00 1.00 H new ATOM 162 N TYR X 11 78.030 -10.852 10.521 1.00 1.00 N ATOM 163 CA TYR X 11 78.971 -10.115 11.410 1.00 1.00 C ATOM 164 C TYR X 11 79.153 -8.688 10.890 1.00 1.00 C ATOM 165 O TYR X 11 79.185 -7.740 11.648 1.00 1.00 O ATOM 166 CB TYR X 11 80.325 -10.828 11.423 1.00 1.00 C ATOM 167 CG TYR X 11 81.310 -10.022 12.235 1.00 1.00 C ATOM 168 CD1 TYR X 11 81.327 -10.136 13.631 1.00 1.00 C ATOM 169 CD2 TYR X 11 82.208 -9.161 11.592 1.00 1.00 C ATOM 170 CE1 TYR X 11 82.241 -9.388 14.383 1.00 1.00 C ATOM 171 CE2 TYR X 11 83.123 -8.414 12.345 1.00 1.00 C ATOM 172 CZ TYR X 11 83.139 -8.527 13.740 1.00 1.00 C ATOM 173 OH TYR X 11 84.039 -7.791 14.482 1.00 1.00 O ATOM 0 H TYR X 11 78.410 -11.693 10.087 1.00 1.00 H new ATOM 0 HA TYR X 11 78.566 -10.085 12.421 1.00 1.00 H new ATOM 0 HB2 TYR X 11 80.218 -11.826 11.847 1.00 1.00 H new ATOM 0 HB3 TYR X 11 80.693 -10.952 10.404 1.00 1.00 H new ATOM 0 HD1 TYR X 11 80.635 -10.801 14.127 1.00 1.00 H new ATOM 0 HD2 TYR X 11 82.195 -9.073 10.516 1.00 1.00 H new ATOM 0 HE1 TYR X 11 82.253 -9.475 15.459 1.00 1.00 H new ATOM 0 HE2 TYR X 11 83.816 -7.751 11.849 1.00 1.00 H new ATOM 0 HH TYR X 11 84.589 -7.246 13.882 1.00 1.00 H new ATOM 183 N VAL X 12 79.272 -8.527 9.599 1.00 1.00 N ATOM 184 CA VAL X 12 79.449 -7.159 9.035 1.00 1.00 C ATOM 185 C VAL X 12 78.225 -6.310 9.374 1.00 1.00 C ATOM 186 O VAL X 12 78.339 -5.169 9.776 1.00 1.00 O ATOM 187 CB VAL X 12 79.600 -7.247 7.516 1.00 1.00 C ATOM 188 CG1 VAL X 12 80.142 -5.922 6.980 1.00 1.00 C ATOM 189 CG2 VAL X 12 80.575 -8.375 7.167 1.00 1.00 C ATOM 0 H VAL X 12 79.254 -9.282 8.913 1.00 1.00 H new ATOM 0 HA VAL X 12 80.342 -6.703 9.462 1.00 1.00 H new ATOM 0 HB VAL X 12 78.629 -7.451 7.065 1.00 1.00 H new ATOM 0 HG11 VAL X 12 80.250 -5.984 5.897 1.00 1.00 H new ATOM 0 HG12 VAL X 12 79.450 -5.118 7.230 1.00 1.00 H new ATOM 0 HG13 VAL X 12 81.113 -5.718 7.430 1.00 1.00 H new ATOM 0 HG21 VAL X 12 80.684 -8.440 6.084 1.00 1.00 H new ATOM 0 HG22 VAL X 12 81.546 -8.169 7.618 1.00 1.00 H new ATOM 0 HG23 VAL X 12 80.190 -9.320 7.550 1.00 1.00 H new ATOM 199 N GLU X 13 77.051 -6.858 9.215 1.00 1.00 N ATOM 200 CA GLU X 13 75.821 -6.082 9.528 1.00 1.00 C ATOM 201 C GLU X 13 75.943 -5.480 10.929 1.00 1.00 C ATOM 202 O GLU X 13 75.655 -4.319 11.142 1.00 1.00 O ATOM 203 CB GLU X 13 74.604 -7.008 9.475 1.00 1.00 C ATOM 204 CG GLU X 13 73.330 -6.192 9.704 1.00 1.00 C ATOM 205 CD GLU X 13 72.109 -7.109 9.601 1.00 1.00 C ATOM 206 OE1 GLU X 13 72.269 -8.223 9.130 1.00 1.00 O ATOM 207 OE2 GLU X 13 71.037 -6.680 9.995 1.00 1.00 O ATOM 0 H GLU X 13 76.892 -7.809 8.882 1.00 1.00 H new ATOM 0 HA GLU X 13 75.700 -5.283 8.797 1.00 1.00 H new ATOM 0 HB2 GLU X 13 74.558 -7.510 8.509 1.00 1.00 H new ATOM 0 HB3 GLU X 13 74.692 -7.785 10.234 1.00 1.00 H new ATOM 0 HG2 GLU X 13 73.360 -5.719 10.685 1.00 1.00 H new ATOM 0 HG3 GLU X 13 73.260 -5.392 8.966 1.00 1.00 H new ATOM 214 N GLN X 14 76.370 -6.258 11.887 1.00 1.00 N ATOM 215 CA GLN X 14 76.510 -5.719 13.268 1.00 1.00 C ATOM 216 C GLN X 14 77.613 -4.664 13.277 1.00 1.00 C ATOM 217 O GLN X 14 77.526 -3.666 13.966 1.00 1.00 O ATOM 218 CB GLN X 14 76.880 -6.855 14.224 1.00 1.00 C ATOM 219 CG GLN X 14 76.957 -6.314 15.654 1.00 1.00 C ATOM 220 CD GLN X 14 77.112 -7.479 16.634 1.00 1.00 C ATOM 221 OE1 GLN X 14 76.872 -8.618 16.284 1.00 1.00 O ATOM 222 NE2 GLN X 14 77.503 -7.241 17.856 1.00 1.00 N ATOM 0 H GLN X 14 76.627 -7.239 11.773 1.00 1.00 H new ATOM 0 HA GLN X 14 75.569 -5.272 13.589 1.00 1.00 H new ATOM 0 HB2 GLN X 14 76.138 -7.651 14.164 1.00 1.00 H new ATOM 0 HB3 GLN X 14 77.837 -7.290 13.936 1.00 1.00 H new ATOM 0 HG2 GLN X 14 77.800 -5.630 15.750 1.00 1.00 H new ATOM 0 HG3 GLN X 14 76.057 -5.746 15.888 1.00 1.00 H new ATOM 0 HE21 GLN X 14 77.704 -6.285 18.150 1.00 1.00 H new ATOM 0 HE22 GLN X 14 77.607 -8.011 18.517 1.00 1.00 H new ATOM 231 N LEU X 15 78.659 -4.881 12.529 1.00 1.00 N ATOM 232 CA LEU X 15 79.771 -3.892 12.506 1.00 1.00 C ATOM 233 C LEU X 15 79.248 -2.575 11.933 1.00 1.00 C ATOM 234 O LEU X 15 79.582 -1.504 12.401 1.00 1.00 O ATOM 235 CB LEU X 15 80.906 -4.419 11.626 1.00 1.00 C ATOM 236 CG LEU X 15 81.973 -3.335 11.468 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.462 -2.896 12.849 1.00 1.00 C ATOM 238 CD2 LEU X 15 83.149 -3.895 10.665 1.00 1.00 C ATOM 0 H LEU X 15 78.791 -5.699 11.934 1.00 1.00 H new ATOM 0 HA LEU X 15 80.147 -3.733 13.517 1.00 1.00 H new ATOM 0 HB2 LEU X 15 81.343 -5.312 12.073 1.00 1.00 H new ATOM 0 HB3 LEU X 15 80.519 -4.709 10.649 1.00 1.00 H new ATOM 0 HG LEU X 15 81.548 -2.478 10.944 1.00 1.00 H new ATOM 0 HD11 LEU X 15 83.223 -2.123 12.737 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.624 -2.500 13.423 1.00 1.00 H new ATOM 0 HD13 LEU X 15 82.888 -3.751 13.373 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.911 -3.124 10.551 1.00 1.00 H new ATOM 0 HD22 LEU X 15 83.574 -4.750 11.190 1.00 1.00 H new ATOM 0 HD23 LEU X 15 82.801 -4.210 9.681 1.00 1.00 H new ATOM 250 N LYS X 16 78.427 -2.649 10.920 1.00 1.00 N ATOM 251 CA LYS X 16 77.878 -1.408 10.308 1.00 1.00 C ATOM 252 C LYS X 16 77.033 -0.660 11.339 1.00 1.00 C ATOM 253 O LYS X 16 77.103 0.548 11.455 1.00 1.00 O ATOM 254 CB LYS X 16 77.006 -1.774 9.105 1.00 1.00 C ATOM 255 CG LYS X 16 76.537 -0.496 8.406 1.00 1.00 C ATOM 256 CD LYS X 16 75.714 -0.863 7.170 1.00 1.00 C ATOM 257 CE LYS X 16 75.256 0.413 6.464 1.00 1.00 C ATOM 258 NZ LYS X 16 74.556 0.057 5.198 1.00 1.00 N ATOM 0 H LYS X 16 78.113 -3.519 10.490 1.00 1.00 H new ATOM 0 HA LYS X 16 78.700 -0.772 9.981 1.00 1.00 H new ATOM 0 HB2 LYS X 16 77.570 -2.395 8.409 1.00 1.00 H new ATOM 0 HB3 LYS X 16 76.146 -2.360 9.430 1.00 1.00 H new ATOM 0 HG2 LYS X 16 75.938 0.106 9.089 1.00 1.00 H new ATOM 0 HG3 LYS X 16 77.396 0.110 8.117 1.00 1.00 H new ATOM 0 HD2 LYS X 16 76.310 -1.473 6.491 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.850 -1.461 7.460 1.00 1.00 H new ATOM 0 HE2 LYS X 16 74.590 0.981 7.113 1.00 1.00 H new ATOM 0 HE3 LYS X 16 76.114 1.051 6.251 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 74.142 0.913 4.778 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 75.236 -0.362 4.531 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 73.801 -0.630 5.400 1.00 1.00 H new ATOM 272 N GLN X 17 76.234 -1.367 12.091 1.00 1.00 N ATOM 273 CA GLN X 17 75.398 -0.690 13.122 1.00 1.00 C ATOM 274 C GLN X 17 76.298 0.160 14.018 1.00 1.00 C ATOM 275 O GLN X 17 75.995 1.296 14.322 1.00 1.00 O ATOM 276 CB GLN X 17 74.680 -1.742 13.969 1.00 1.00 C ATOM 277 CG GLN X 17 73.650 -2.476 13.109 1.00 1.00 C ATOM 278 CD GLN X 17 73.036 -3.625 13.911 1.00 1.00 C ATOM 279 OE1 GLN X 17 73.385 -3.835 15.057 1.00 1.00 O ATOM 280 NE2 GLN X 17 72.129 -4.381 13.356 1.00 1.00 N ATOM 0 H GLN X 17 76.124 -2.380 12.036 1.00 1.00 H new ATOM 0 HA GLN X 17 74.659 -0.054 12.635 1.00 1.00 H new ATOM 0 HB2 GLN X 17 75.401 -2.451 14.375 1.00 1.00 H new ATOM 0 HB3 GLN X 17 74.188 -1.267 14.818 1.00 1.00 H new ATOM 0 HG2 GLN X 17 72.870 -1.785 12.789 1.00 1.00 H new ATOM 0 HG3 GLN X 17 74.124 -2.862 12.206 1.00 1.00 H new ATOM 0 HE21 GLN X 17 71.836 -4.205 12.395 1.00 1.00 H new ATOM 0 HE22 GLN X 17 71.712 -5.148 13.883 1.00 1.00 H new ATOM 289 N ALA X 18 77.407 -0.384 14.442 1.00 1.00 N ATOM 290 CA ALA X 18 78.337 0.396 15.305 1.00 1.00 C ATOM 291 C ALA X 18 78.843 1.614 14.533 1.00 1.00 C ATOM 292 O ALA X 18 79.001 2.688 15.081 1.00 1.00 O ATOM 293 CB ALA X 18 79.524 -0.484 15.701 1.00 1.00 C ATOM 0 H ALA X 18 77.708 -1.335 14.228 1.00 1.00 H new ATOM 0 HA ALA X 18 77.813 0.724 16.202 1.00 1.00 H new ATOM 0 HB1 ALA X 18 80.205 0.086 16.333 1.00 1.00 H new ATOM 0 HB2 ALA X 18 79.164 -1.355 16.249 1.00 1.00 H new ATOM 0 HB3 ALA X 18 80.050 -0.811 14.804 1.00 1.00 H new ATOM 299 N LEU X 19 79.098 1.460 13.263 1.00 1.00 N ATOM 300 CA LEU X 19 79.579 2.615 12.456 1.00 1.00 C ATOM 301 C LEU X 19 78.506 3.705 12.445 1.00 1.00 C ATOM 302 O LEU X 19 78.801 4.882 12.507 1.00 1.00 O ATOM 303 CB LEU X 19 79.860 2.158 11.023 1.00 1.00 C ATOM 304 CG LEU X 19 81.033 1.177 11.019 1.00 1.00 C ATOM 305 CD1 LEU X 19 81.220 0.607 9.610 1.00 1.00 C ATOM 306 CD2 LEU X 19 82.308 1.907 11.445 1.00 1.00 C ATOM 0 H LEU X 19 78.994 0.585 12.750 1.00 1.00 H new ATOM 0 HA LEU X 19 80.496 3.009 12.894 1.00 1.00 H new ATOM 0 HB2 LEU X 19 78.974 1.683 10.602 1.00 1.00 H new ATOM 0 HB3 LEU X 19 80.090 3.018 10.395 1.00 1.00 H new ATOM 0 HG LEU X 19 80.828 0.364 11.715 1.00 1.00 H new ATOM 0 HD11 LEU X 19 82.056 -0.092 9.608 1.00 1.00 H new ATOM 0 HD12 LEU X 19 80.312 0.087 9.304 1.00 1.00 H new ATOM 0 HD13 LEU X 19 81.425 1.420 8.913 1.00 1.00 H new ATOM 0 HD21 LEU X 19 83.145 1.209 11.443 1.00 1.00 H new ATOM 0 HD22 LEU X 19 82.512 2.720 10.748 1.00 1.00 H new ATOM 0 HD23 LEU X 19 82.177 2.313 12.448 1.00 1.00 H new ATOM 318 N LYS X 20 77.260 3.321 12.368 1.00 1.00 N ATOM 319 CA LYS X 20 76.169 4.335 12.358 1.00 1.00 C ATOM 320 C LYS X 20 76.269 5.197 13.616 1.00 1.00 C ATOM 321 O LYS X 20 76.135 6.403 13.567 1.00 1.00 O ATOM 322 CB LYS X 20 74.815 3.624 12.331 1.00 1.00 C ATOM 323 CG LYS X 20 74.628 2.930 10.980 1.00 1.00 C ATOM 324 CD LYS X 20 73.239 2.290 10.920 1.00 1.00 C ATOM 325 CE LYS X 20 73.019 1.672 9.538 1.00 1.00 C ATOM 326 NZ LYS X 20 73.600 0.300 9.512 1.00 1.00 N ATOM 0 H LYS X 20 76.952 2.350 12.312 1.00 1.00 H new ATOM 0 HA LYS X 20 76.264 4.967 11.475 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.760 2.893 13.138 1.00 1.00 H new ATOM 0 HB3 LYS X 20 74.012 4.342 12.497 1.00 1.00 H new ATOM 0 HG2 LYS X 20 74.743 3.651 10.170 1.00 1.00 H new ATOM 0 HG3 LYS X 20 75.396 2.169 10.841 1.00 1.00 H new ATOM 0 HD2 LYS X 20 73.146 1.525 11.691 1.00 1.00 H new ATOM 0 HD3 LYS X 20 72.473 3.039 11.121 1.00 1.00 H new ATOM 0 HE2 LYS X 20 71.954 1.632 9.310 1.00 1.00 H new ATOM 0 HE3 LYS X 20 73.486 2.291 8.772 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 73.652 -0.037 8.529 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 74.556 0.320 9.922 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 72.999 -0.342 10.067 1.00 1.00 H new ATOM 340 N THR X 21 76.508 4.586 14.744 1.00 1.00 N ATOM 341 CA THR X 21 76.620 5.368 16.006 1.00 1.00 C ATOM 342 C THR X 21 77.844 6.282 15.927 1.00 1.00 C ATOM 343 O THR X 21 77.914 7.300 16.588 1.00 1.00 O ATOM 344 CB THR X 21 76.774 4.409 17.188 1.00 1.00 C ATOM 345 OG1 THR X 21 77.904 3.575 16.973 1.00 1.00 O ATOM 346 CG2 THR X 21 75.517 3.546 17.315 1.00 1.00 C ATOM 0 H THR X 21 76.630 3.578 14.845 1.00 1.00 H new ATOM 0 HA THR X 21 75.722 5.971 16.144 1.00 1.00 H new ATOM 0 HB THR X 21 76.912 4.981 18.106 1.00 1.00 H new ATOM 0 HG1 THR X 21 78.205 3.665 16.045 1.00 1.00 H new ATOM 0 HG21 THR X 21 75.628 2.863 18.157 1.00 1.00 H new ATOM 0 HG22 THR X 21 74.651 4.187 17.479 1.00 1.00 H new ATOM 0 HG23 THR X 21 75.376 2.972 16.399 1.00 1.00 H new ATOM 354 N ARG X 22 78.808 5.930 15.121 1.00 1.00 N ATOM 355 CA ARG X 22 80.021 6.785 14.995 1.00 1.00 C ATOM 356 C ARG X 22 79.732 7.927 14.021 1.00 1.00 C ATOM 357 O ARG X 22 80.538 8.817 13.837 1.00 1.00 O ATOM 358 CB ARG X 22 81.183 5.944 14.462 1.00 1.00 C ATOM 359 CG ARG X 22 81.644 4.967 15.547 1.00 1.00 C ATOM 360 CD ARG X 22 82.784 4.104 15.005 1.00 1.00 C ATOM 361 NE ARG X 22 83.261 3.180 16.073 1.00 1.00 N ATOM 362 CZ ARG X 22 84.145 3.587 16.943 1.00 1.00 C ATOM 363 NH1 ARG X 22 84.618 4.801 16.875 1.00 1.00 N ATOM 364 NH2 ARG X 22 84.558 2.777 17.880 1.00 1.00 N ATOM 0 H ARG X 22 78.808 5.088 14.545 1.00 1.00 H new ATOM 0 HA ARG X 22 80.285 7.193 15.971 1.00 1.00 H new ATOM 0 HB2 ARG X 22 80.872 5.396 13.572 1.00 1.00 H new ATOM 0 HB3 ARG X 22 82.008 6.591 14.165 1.00 1.00 H new ATOM 0 HG2 ARG X 22 81.976 5.516 16.428 1.00 1.00 H new ATOM 0 HG3 ARG X 22 80.813 4.335 15.860 1.00 1.00 H new ATOM 0 HD2 ARG X 22 82.443 3.533 14.141 1.00 1.00 H new ATOM 0 HD3 ARG X 22 83.603 4.737 14.665 1.00 1.00 H new ATOM 0 HE ARG X 22 82.896 2.229 16.124 1.00 1.00 H new ATOM 0 HH11 ARG X 22 84.297 5.433 16.142 1.00 1.00 H new ATOM 0 HH12 ARG X 22 85.309 5.118 17.555 1.00 1.00 H new ATOM 0 HH21 ARG X 22 84.190 1.827 17.932 1.00 1.00 H new ATOM 0 HH22 ARG X 22 85.249 3.094 18.560 1.00 1.00 H new ATOM 378 N GLY X 23 78.589 7.909 13.392 1.00 1.00 N ATOM 379 CA GLY X 23 78.257 8.993 12.425 1.00 1.00 C ATOM 380 C GLY X 23 78.544 8.506 11.004 1.00 1.00 C ATOM 381 O GLY X 23 79.170 9.189 10.218 1.00 1.00 O ATOM 0 H GLY X 23 77.872 7.192 13.505 1.00 1.00 H new ATOM 0 HA2 GLY X 23 77.208 9.273 12.521 1.00 1.00 H new ATOM 0 HA3 GLY X 23 78.846 9.884 12.643 1.00 1.00 H new ATOM 385 N VAL X 24 78.088 7.330 10.668 1.00 1.00 N ATOM 386 CA VAL X 24 78.333 6.798 9.297 1.00 1.00 C ATOM 387 C VAL X 24 76.995 6.484 8.629 1.00 1.00 C ATOM 388 O VAL X 24 76.136 5.846 9.206 1.00 1.00 O ATOM 389 CB VAL X 24 79.170 5.522 9.388 1.00 1.00 C ATOM 390 CG1 VAL X 24 79.211 4.840 8.020 1.00 1.00 C ATOM 391 CG2 VAL X 24 80.595 5.878 9.821 1.00 1.00 C ATOM 0 H VAL X 24 77.556 6.715 11.284 1.00 1.00 H new ATOM 0 HA VAL X 24 78.869 7.542 8.707 1.00 1.00 H new ATOM 0 HB VAL X 24 78.724 4.846 10.118 1.00 1.00 H new ATOM 0 HG11 VAL X 24 79.808 3.930 8.085 1.00 1.00 H new ATOM 0 HG12 VAL X 24 78.197 4.588 7.709 1.00 1.00 H new ATOM 0 HG13 VAL X 24 79.657 5.515 7.290 1.00 1.00 H new ATOM 0 HG21 VAL X 24 81.193 4.969 9.886 1.00 1.00 H new ATOM 0 HG22 VAL X 24 81.040 6.553 9.090 1.00 1.00 H new ATOM 0 HG23 VAL X 24 80.568 6.366 10.796 1.00 1.00 H new ATOM 401 N LYS X 25 76.807 6.925 7.415 1.00 1.00 N ATOM 402 CA LYS X 25 75.521 6.649 6.717 1.00 1.00 C ATOM 403 C LYS X 25 75.815 6.133 5.308 1.00 1.00 C ATOM 404 O LYS X 25 75.899 6.891 4.362 1.00 1.00 O ATOM 405 CB LYS X 25 74.703 7.939 6.627 1.00 1.00 C ATOM 406 CG LYS X 25 74.240 8.349 8.027 1.00 1.00 C ATOM 407 CD LYS X 25 73.464 9.664 7.945 1.00 1.00 C ATOM 408 CE LYS X 25 72.979 10.060 9.340 1.00 1.00 C ATOM 409 NZ LYS X 25 72.150 11.295 9.247 1.00 1.00 N ATOM 0 H LYS X 25 77.487 7.463 6.878 1.00 1.00 H new ATOM 0 HA LYS X 25 74.956 5.900 7.272 1.00 1.00 H new ATOM 0 HB2 LYS X 25 75.304 8.733 6.184 1.00 1.00 H new ATOM 0 HB3 LYS X 25 73.841 7.791 5.976 1.00 1.00 H new ATOM 0 HG2 LYS X 25 73.610 7.569 8.456 1.00 1.00 H new ATOM 0 HG3 LYS X 25 75.100 8.463 8.687 1.00 1.00 H new ATOM 0 HD2 LYS X 25 74.100 10.448 7.534 1.00 1.00 H new ATOM 0 HD3 LYS X 25 72.615 9.555 7.271 1.00 1.00 H new ATOM 0 HE2 LYS X 25 72.395 9.250 9.777 1.00 1.00 H new ATOM 0 HE3 LYS X 25 73.831 10.230 9.998 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 71.820 11.564 10.196 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 72.721 12.067 8.847 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 71.330 11.117 8.633 1.00 1.00 H new ATOM 423 N VAL X 26 75.977 4.845 5.161 1.00 1.00 N ATOM 424 CA VAL X 26 76.264 4.279 3.814 1.00 1.00 C ATOM 425 C VAL X 26 75.287 3.138 3.525 1.00 1.00 C ATOM 426 O VAL X 26 74.666 2.597 4.419 1.00 1.00 O ATOM 427 CB VAL X 26 77.697 3.747 3.778 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.676 4.900 4.014 1.00 1.00 C ATOM 429 CG2 VAL X 26 77.875 2.695 4.874 1.00 1.00 C ATOM 0 H VAL X 26 75.923 4.162 5.916 1.00 1.00 H new ATOM 0 HA VAL X 26 76.149 5.057 3.059 1.00 1.00 H new ATOM 0 HB VAL X 26 77.894 3.297 2.805 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.698 4.521 3.988 1.00 1.00 H new ATOM 0 HG12 VAL X 26 78.548 5.651 3.235 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.480 5.350 4.987 1.00 1.00 H new ATOM 0 HG21 VAL X 26 78.896 2.314 4.850 1.00 1.00 H new ATOM 0 HG22 VAL X 26 77.678 3.146 5.847 1.00 1.00 H new ATOM 0 HG23 VAL X 26 77.178 1.874 4.707 1.00 1.00 H new ATOM 439 N LYS X 27 75.146 2.767 2.281 1.00 1.00 N ATOM 440 CA LYS X 27 74.211 1.661 1.934 1.00 1.00 C ATOM 441 C LYS X 27 74.866 0.319 2.257 1.00 1.00 C ATOM 442 O LYS X 27 76.070 0.168 2.174 1.00 1.00 O ATOM 443 CB LYS X 27 73.882 1.722 0.441 1.00 1.00 C ATOM 444 CG LYS X 27 73.052 2.975 0.149 1.00 1.00 C ATOM 445 CD LYS X 27 72.816 3.094 -1.358 1.00 1.00 C ATOM 446 CE LYS X 27 72.091 4.407 -1.658 1.00 1.00 C ATOM 447 NZ LYS X 27 70.667 4.297 -1.237 1.00 1.00 N ATOM 0 H LYS X 27 75.639 3.183 1.491 1.00 1.00 H new ATOM 0 HA LYS X 27 73.294 1.765 2.513 1.00 1.00 H new ATOM 0 HB2 LYS X 27 74.802 1.738 -0.144 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.330 0.830 0.143 1.00 1.00 H new ATOM 0 HG2 LYS X 27 72.098 2.922 0.674 1.00 1.00 H new ATOM 0 HG3 LYS X 27 73.570 3.861 0.517 1.00 1.00 H new ATOM 0 HD2 LYS X 27 73.767 3.062 -1.890 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.224 2.250 -1.712 1.00 1.00 H new ATOM 0 HE2 LYS X 27 72.574 5.230 -1.131 1.00 1.00 H new ATOM 0 HE3 LYS X 27 72.150 4.632 -2.723 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 70.147 5.142 -1.548 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 70.242 3.451 -1.668 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 70.616 4.220 -0.201 1.00 1.00 H new ATOM 461 N TYR X 28 74.087 -0.660 2.626 1.00 1.00 N ATOM 462 CA TYR X 28 74.670 -1.992 2.952 1.00 1.00 C ATOM 463 C TYR X 28 75.360 -2.557 1.710 1.00 1.00 C ATOM 464 O TYR X 28 76.374 -3.221 1.799 1.00 1.00 O ATOM 465 CB TYR X 28 73.556 -2.942 3.397 1.00 1.00 C ATOM 466 CG TYR X 28 74.157 -4.260 3.824 1.00 1.00 C ATOM 467 CD1 TYR X 28 74.692 -4.401 5.111 1.00 1.00 C ATOM 468 CD2 TYR X 28 74.178 -5.341 2.935 1.00 1.00 C ATOM 469 CE1 TYR X 28 75.249 -5.623 5.507 1.00 1.00 C ATOM 470 CE2 TYR X 28 74.735 -6.563 3.331 1.00 1.00 C ATOM 471 CZ TYR X 28 75.271 -6.704 4.618 1.00 1.00 C ATOM 472 OH TYR X 28 75.821 -7.908 5.008 1.00 1.00 O ATOM 0 H TYR X 28 73.073 -0.596 2.716 1.00 1.00 H new ATOM 0 HA TYR X 28 75.397 -1.887 3.757 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.996 -2.501 4.222 1.00 1.00 H new ATOM 0 HB3 TYR X 28 72.851 -3.099 2.581 1.00 1.00 H new ATOM 0 HD1 TYR X 28 74.675 -3.567 5.797 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.764 -5.232 1.943 1.00 1.00 H new ATOM 0 HE1 TYR X 28 75.662 -5.732 6.499 1.00 1.00 H new ATOM 0 HE2 TYR X 28 74.752 -7.397 2.645 1.00 1.00 H new ATOM 0 HH TYR X 28 75.754 -8.552 4.272 1.00 1.00 H new ATOM 482 N ALA X 29 74.819 -2.297 0.550 1.00 1.00 N ATOM 483 CA ALA X 29 75.441 -2.819 -0.698 1.00 1.00 C ATOM 484 C ALA X 29 76.895 -2.352 -0.775 1.00 1.00 C ATOM 485 O ALA X 29 77.754 -3.045 -1.284 1.00 1.00 O ATOM 486 CB ALA X 29 74.672 -2.293 -1.911 1.00 1.00 C ATOM 0 H ALA X 29 73.972 -1.745 0.414 1.00 1.00 H new ATOM 0 HA ALA X 29 75.408 -3.908 -0.692 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.128 -2.675 -2.824 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.635 -2.625 -1.856 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.704 -1.204 -1.918 1.00 1.00 H new ATOM 492 N ASP X 30 77.178 -1.181 -0.275 1.00 1.00 N ATOM 493 CA ASP X 30 78.578 -0.671 -0.320 1.00 1.00 C ATOM 494 C ASP X 30 79.484 -1.600 0.488 1.00 1.00 C ATOM 495 O ASP X 30 80.602 -1.884 0.103 1.00 1.00 O ATOM 496 CB ASP X 30 78.628 0.737 0.276 1.00 1.00 C ATOM 497 CG ASP X 30 77.976 1.726 -0.691 1.00 1.00 C ATOM 498 OD1 ASP X 30 77.645 1.317 -1.790 1.00 1.00 O ATOM 499 OD2 ASP X 30 77.819 2.876 -0.315 1.00 1.00 O ATOM 0 H ASP X 30 76.501 -0.555 0.162 1.00 1.00 H new ATOM 0 HA ASP X 30 78.920 -0.639 -1.354 1.00 1.00 H new ATOM 0 HB2 ASP X 30 78.110 0.756 1.235 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.662 1.026 0.466 1.00 1.00 H new ATOM 504 N LEU X 31 79.013 -2.078 1.606 1.00 1.00 N ATOM 505 CA LEU X 31 79.845 -2.995 2.434 1.00 1.00 C ATOM 506 C LEU X 31 80.153 -4.263 1.634 1.00 1.00 C ATOM 507 O LEU X 31 81.270 -4.741 1.616 1.00 1.00 O ATOM 508 CB LEU X 31 79.083 -3.366 3.707 1.00 1.00 C ATOM 509 CG LEU X 31 79.264 -2.263 4.751 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.709 -2.267 5.255 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.951 -0.907 4.116 1.00 1.00 C ATOM 0 H LEU X 31 78.087 -1.873 1.982 1.00 1.00 H new ATOM 0 HA LEU X 31 80.778 -2.499 2.702 1.00 1.00 H new ATOM 0 HB2 LEU X 31 78.025 -3.500 3.484 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.449 -4.315 4.099 1.00 1.00 H new ATOM 0 HG LEU X 31 78.588 -2.440 5.587 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.837 -1.481 5.999 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.934 -3.233 5.706 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.386 -2.090 4.420 1.00 1.00 H new ATOM 0 HD21 LEU X 31 79.079 -0.119 4.858 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.628 -0.732 3.280 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.922 -0.902 3.756 1.00 1.00 H new ATOM 523 N LEU X 32 79.170 -4.811 0.973 1.00 1.00 N ATOM 524 CA LEU X 32 79.410 -6.036 0.163 1.00 1.00 C ATOM 525 C LEU X 32 80.403 -5.720 -0.956 1.00 1.00 C ATOM 526 O LEU X 32 81.290 -6.497 -1.250 1.00 1.00 O ATOM 527 CB LEU X 32 78.088 -6.511 -0.446 1.00 1.00 C ATOM 528 CG LEU X 32 77.165 -7.016 0.664 1.00 1.00 C ATOM 529 CD1 LEU X 32 75.764 -7.252 0.097 1.00 1.00 C ATOM 530 CD2 LEU X 32 77.715 -8.329 1.224 1.00 1.00 C ATOM 0 H LEU X 32 78.212 -4.462 0.960 1.00 1.00 H new ATOM 0 HA LEU X 32 79.819 -6.820 0.801 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.610 -5.694 -0.987 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.273 -7.306 -1.169 1.00 1.00 H new ATOM 0 HG LEU X 32 77.114 -6.273 1.460 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.107 -7.612 0.889 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.371 -6.317 -0.304 1.00 1.00 H new ATOM 0 HD13 LEU X 32 75.814 -7.995 -0.699 1.00 1.00 H new ATOM 0 HD21 LEU X 32 77.058 -8.690 2.015 1.00 1.00 H new ATOM 0 HD22 LEU X 32 77.766 -9.071 0.427 1.00 1.00 H new ATOM 0 HD23 LEU X 32 78.713 -8.162 1.629 1.00 1.00 H new ATOM 542 N LYS X 33 80.265 -4.584 -1.584 1.00 1.00 N ATOM 543 CA LYS X 33 81.209 -4.218 -2.675 1.00 1.00 C ATOM 544 C LYS X 33 82.608 -4.010 -2.091 1.00 1.00 C ATOM 545 O LYS X 33 83.605 -4.263 -2.737 1.00 1.00 O ATOM 546 CB LYS X 33 80.738 -2.926 -3.347 1.00 1.00 C ATOM 547 CG LYS X 33 79.421 -3.181 -4.081 1.00 1.00 C ATOM 548 CD LYS X 33 78.910 -1.872 -4.687 1.00 1.00 C ATOM 549 CE LYS X 33 77.602 -2.131 -5.435 1.00 1.00 C ATOM 550 NZ LYS X 33 77.137 -0.867 -6.076 1.00 1.00 N ATOM 0 H LYS X 33 79.539 -3.895 -1.388 1.00 1.00 H new ATOM 0 HA LYS X 33 81.239 -5.020 -3.413 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.604 -2.143 -2.600 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.494 -2.572 -4.048 1.00 1.00 H new ATOM 0 HG2 LYS X 33 79.568 -3.924 -4.865 1.00 1.00 H new ATOM 0 HG3 LYS X 33 78.681 -3.588 -3.391 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.752 -1.133 -3.902 1.00 1.00 H new ATOM 0 HD3 LYS X 33 79.655 -1.459 -5.368 1.00 1.00 H new ATOM 0 HE2 LYS X 33 77.750 -2.902 -6.191 1.00 1.00 H new ATOM 0 HE3 LYS X 33 76.844 -2.502 -4.746 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 76.620 -1.091 -6.950 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 76.508 -0.357 -5.423 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 77.958 -0.270 -6.303 1.00 1.00 H new ATOM 564 N PHE X 34 82.690 -3.554 -0.871 1.00 1.00 N ATOM 565 CA PHE X 34 84.024 -3.338 -0.244 1.00 1.00 C ATOM 566 C PHE X 34 84.791 -4.660 -0.211 1.00 1.00 C ATOM 567 O PHE X 34 85.951 -4.724 -0.563 1.00 1.00 O ATOM 568 CB PHE X 34 83.839 -2.819 1.184 1.00 1.00 C ATOM 569 CG PHE X 34 85.188 -2.676 1.846 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.120 -1.760 1.346 1.00 1.00 C ATOM 571 CD2 PHE X 34 85.507 -3.459 2.962 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.371 -1.626 1.960 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.758 -3.326 3.577 1.00 1.00 C ATOM 574 CZ PHE X 34 87.690 -2.410 3.075 1.00 1.00 C ATOM 0 H PHE X 34 81.891 -3.322 -0.282 1.00 1.00 H new ATOM 0 HA PHE X 34 84.585 -2.607 -0.826 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.325 -1.858 1.169 1.00 1.00 H new ATOM 0 HB3 PHE X 34 83.213 -3.506 1.754 1.00 1.00 H new ATOM 0 HD1 PHE X 34 85.874 -1.156 0.485 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.788 -4.166 3.349 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.089 -0.918 1.574 1.00 1.00 H new ATOM 0 HE2 PHE X 34 87.004 -3.930 4.438 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.655 -2.308 3.548 1.00 1.00 H new ATOM 584 N PHE X 35 84.152 -5.717 0.212 1.00 1.00 N ATOM 585 CA PHE X 35 84.845 -7.034 0.262 1.00 1.00 C ATOM 586 C PHE X 35 85.249 -7.450 -1.153 1.00 1.00 C ATOM 587 O PHE X 35 86.342 -7.929 -1.381 1.00 1.00 O ATOM 588 CB PHE X 35 83.901 -8.086 0.848 1.00 1.00 C ATOM 589 CG PHE X 35 83.725 -7.835 2.327 1.00 1.00 C ATOM 590 CD1 PHE X 35 84.738 -8.194 3.223 1.00 1.00 C ATOM 591 CD2 PHE X 35 82.547 -7.243 2.800 1.00 1.00 C ATOM 592 CE1 PHE X 35 84.573 -7.960 4.594 1.00 1.00 C ATOM 593 CE2 PHE X 35 82.384 -7.010 4.171 1.00 1.00 C ATOM 594 CZ PHE X 35 83.396 -7.368 5.068 1.00 1.00 C ATOM 0 H PHE X 35 83.181 -5.725 0.525 1.00 1.00 H new ATOM 0 HA PHE X 35 85.734 -6.952 0.888 1.00 1.00 H new ATOM 0 HB2 PHE X 35 82.936 -8.045 0.344 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.305 -9.085 0.683 1.00 1.00 H new ATOM 0 HD1 PHE X 35 85.646 -8.651 2.858 1.00 1.00 H new ATOM 0 HD2 PHE X 35 81.765 -6.967 2.108 1.00 1.00 H new ATOM 0 HE1 PHE X 35 85.354 -8.236 5.286 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.476 -6.553 4.536 1.00 1.00 H new ATOM 0 HZ PHE X 35 83.270 -7.188 6.125 1.00 1.00 H new ATOM 604 N ASP X 36 84.375 -7.273 -2.107 1.00 1.00 N ATOM 605 CA ASP X 36 84.712 -7.661 -3.504 1.00 1.00 C ATOM 606 C ASP X 36 85.903 -6.831 -3.987 1.00 1.00 C ATOM 607 O ASP X 36 86.824 -7.341 -4.593 1.00 1.00 O ATOM 608 CB ASP X 36 83.508 -7.403 -4.412 1.00 1.00 C ATOM 609 CG ASP X 36 82.433 -8.459 -4.148 1.00 1.00 C ATOM 610 OD1 ASP X 36 82.754 -9.462 -3.533 1.00 1.00 O ATOM 611 OD2 ASP X 36 81.306 -8.246 -4.565 1.00 1.00 O ATOM 0 H ASP X 36 83.444 -6.877 -1.978 1.00 1.00 H new ATOM 0 HA ASP X 36 84.968 -8.720 -3.536 1.00 1.00 H new ATOM 0 HB2 ASP X 36 83.107 -6.407 -4.227 1.00 1.00 H new ATOM 0 HB3 ASP X 36 83.814 -7.434 -5.458 1.00 1.00 H new ATOM 616 N PHE X 37 85.890 -5.553 -3.722 1.00 1.00 N ATOM 617 CA PHE X 37 87.021 -4.687 -4.162 1.00 1.00 C ATOM 618 C PHE X 37 88.309 -5.139 -3.471 1.00 1.00 C ATOM 619 O PHE X 37 89.339 -5.294 -4.096 1.00 1.00 O ATOM 620 CB PHE X 37 86.726 -3.233 -3.790 1.00 1.00 C ATOM 621 CG PHE X 37 87.863 -2.353 -4.251 1.00 1.00 C ATOM 622 CD1 PHE X 37 88.015 -2.059 -5.611 1.00 1.00 C ATOM 623 CD2 PHE X 37 88.766 -1.831 -3.317 1.00 1.00 C ATOM 624 CE1 PHE X 37 89.069 -1.243 -6.038 1.00 1.00 C ATOM 625 CE2 PHE X 37 89.821 -1.015 -3.744 1.00 1.00 C ATOM 626 CZ PHE X 37 89.973 -0.721 -5.104 1.00 1.00 C ATOM 0 H PHE X 37 85.145 -5.071 -3.220 1.00 1.00 H new ATOM 0 HA PHE X 37 87.141 -4.768 -5.242 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.793 -2.911 -4.252 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.596 -3.142 -2.712 1.00 1.00 H new ATOM 0 HD1 PHE X 37 87.319 -2.462 -6.331 1.00 1.00 H new ATOM 0 HD2 PHE X 37 88.649 -2.058 -2.268 1.00 1.00 H new ATOM 0 HE1 PHE X 37 89.185 -1.016 -7.087 1.00 1.00 H new ATOM 0 HE2 PHE X 37 90.518 -0.612 -3.024 1.00 1.00 H new ATOM 0 HZ PHE X 37 90.787 -0.092 -5.433 1.00 1.00 H new ATOM 636 N VAL X 38 88.259 -5.349 -2.184 1.00 1.00 N ATOM 637 CA VAL X 38 89.482 -5.787 -1.453 1.00 1.00 C ATOM 638 C VAL X 38 89.961 -7.127 -2.013 1.00 1.00 C ATOM 639 O VAL X 38 91.131 -7.313 -2.288 1.00 1.00 O ATOM 640 CB VAL X 38 89.159 -5.940 0.033 1.00 1.00 C ATOM 641 CG1 VAL X 38 90.390 -6.471 0.771 1.00 1.00 C ATOM 642 CG2 VAL X 38 88.765 -4.580 0.613 1.00 1.00 C ATOM 0 H VAL X 38 87.425 -5.236 -1.607 1.00 1.00 H new ATOM 0 HA VAL X 38 90.267 -5.041 -1.579 1.00 1.00 H new ATOM 0 HB VAL X 38 88.332 -6.640 0.154 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.160 -6.580 1.831 1.00 1.00 H new ATOM 0 HG12 VAL X 38 90.671 -7.440 0.359 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.217 -5.771 0.650 1.00 1.00 H new ATOM 0 HG21 VAL X 38 88.535 -4.689 1.673 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.591 -3.880 0.492 1.00 1.00 H new ATOM 0 HG23 VAL X 38 87.888 -4.201 0.088 1.00 1.00 H new ATOM 652 N LYS X 39 89.069 -8.064 -2.184 1.00 1.00 N ATOM 653 CA LYS X 39 89.476 -9.387 -2.738 1.00 1.00 C ATOM 654 C LYS X 39 89.936 -9.211 -4.187 1.00 1.00 C ATOM 655 O LYS X 39 90.806 -9.914 -4.662 1.00 1.00 O ATOM 656 CB LYS X 39 88.284 -10.346 -2.695 1.00 1.00 C ATOM 657 CG LYS X 39 87.973 -10.708 -1.241 1.00 1.00 C ATOM 658 CD LYS X 39 86.714 -11.577 -1.189 1.00 1.00 C ATOM 659 CE LYS X 39 86.387 -11.916 0.266 1.00 1.00 C ATOM 660 NZ LYS X 39 85.142 -12.734 0.318 1.00 1.00 N ATOM 0 H LYS X 39 88.077 -7.971 -1.964 1.00 1.00 H new ATOM 0 HA LYS X 39 90.293 -9.796 -2.143 1.00 1.00 H new ATOM 0 HB2 LYS X 39 87.414 -9.883 -3.160 1.00 1.00 H new ATOM 0 HB3 LYS X 39 88.508 -11.247 -3.266 1.00 1.00 H new ATOM 0 HG2 LYS X 39 88.815 -11.242 -0.800 1.00 1.00 H new ATOM 0 HG3 LYS X 39 87.827 -9.802 -0.653 1.00 1.00 H new ATOM 0 HD2 LYS X 39 85.877 -11.051 -1.648 1.00 1.00 H new ATOM 0 HD3 LYS X 39 86.867 -12.492 -1.761 1.00 1.00 H new ATOM 0 HE2 LYS X 39 87.214 -12.464 0.718 1.00 1.00 H new ATOM 0 HE3 LYS X 39 86.258 -11.001 0.844 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 84.919 -12.965 1.307 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 84.355 -12.196 -0.097 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 85.282 -13.613 -0.220 1.00 1.00 H new ATOM 674 N ASP X 40 89.358 -8.277 -4.890 1.00 1.00 N ATOM 675 CA ASP X 40 89.763 -8.049 -6.306 1.00 1.00 C ATOM 676 C ASP X 40 91.197 -7.514 -6.352 1.00 1.00 C ATOM 677 O ASP X 40 91.861 -7.584 -7.367 1.00 1.00 O ATOM 678 CB ASP X 40 88.818 -7.030 -6.946 1.00 1.00 C ATOM 679 CG ASP X 40 87.452 -7.676 -7.182 1.00 1.00 C ATOM 680 OD1 ASP X 40 87.363 -8.886 -7.057 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.519 -6.950 -7.483 1.00 1.00 O ATOM 0 H ASP X 40 88.622 -7.661 -4.545 1.00 1.00 H new ATOM 0 HA ASP X 40 89.712 -8.990 -6.854 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.713 -6.159 -6.299 1.00 1.00 H new ATOM 0 HB3 ASP X 40 89.233 -6.677 -7.890 1.00 1.00 H new ATOM 686 N THR X 41 91.678 -6.981 -5.263 1.00 1.00 N ATOM 687 CA THR X 41 93.047 -6.391 -5.267 1.00 1.00 C ATOM 688 C THR X 41 94.049 -7.436 -5.766 1.00 1.00 C ATOM 689 O THR X 41 94.706 -7.248 -6.771 1.00 1.00 O ATOM 690 CB THR X 41 93.422 -5.962 -3.847 1.00 1.00 C ATOM 691 OG1 THR X 41 92.350 -5.225 -3.278 1.00 1.00 O ATOM 692 CG2 THR X 41 94.677 -5.088 -3.891 1.00 1.00 C ATOM 0 H THR X 41 91.184 -6.928 -4.372 1.00 1.00 H new ATOM 0 HA THR X 41 93.068 -5.523 -5.925 1.00 1.00 H new ATOM 0 HB THR X 41 93.618 -6.846 -3.240 1.00 1.00 H new ATOM 0 HG1 THR X 41 91.908 -5.767 -2.592 1.00 1.00 H new ATOM 0 HG21 THR X 41 94.943 -4.783 -2.879 1.00 1.00 H new ATOM 0 HG22 THR X 41 95.500 -5.654 -4.328 1.00 1.00 H new ATOM 0 HG23 THR X 41 94.483 -4.203 -4.498 1.00 1.00 H new ATOM 700 N CYS X 42 94.171 -8.533 -5.072 1.00 1.00 N ATOM 701 CA CYS X 42 95.174 -9.560 -5.471 1.00 1.00 C ATOM 702 C CYS X 42 94.455 -10.764 -6.084 1.00 1.00 C ATOM 703 O CYS X 42 94.666 -11.104 -7.232 1.00 1.00 O ATOM 704 CB CYS X 42 95.962 -10.010 -4.239 1.00 1.00 C ATOM 705 SG CYS X 42 95.373 -9.110 -2.784 1.00 1.00 S ATOM 0 H CYS X 42 93.619 -8.763 -4.245 1.00 1.00 H new ATOM 0 HA CYS X 42 95.859 -9.133 -6.204 1.00 1.00 H new ATOM 0 HB2 CYS X 42 95.842 -11.083 -4.089 1.00 1.00 H new ATOM 0 HB3 CYS X 42 97.026 -9.826 -4.388 1.00 1.00 H new ATOM 0 HG CYS X 42 96.041 -9.494 -1.737 1.00 1.00 H new ATOM 711 N PRO X 43 93.612 -11.400 -5.319 1.00 1.00 N ATOM 712 CA PRO X 43 92.880 -12.620 -5.761 1.00 1.00 C ATOM 713 C PRO X 43 92.381 -12.505 -7.206 1.00 1.00 C ATOM 714 O PRO X 43 92.518 -13.419 -7.996 1.00 1.00 O ATOM 715 CB PRO X 43 91.701 -12.704 -4.792 1.00 1.00 C ATOM 716 CG PRO X 43 92.156 -12.010 -3.551 1.00 1.00 C ATOM 717 CD PRO X 43 93.265 -11.021 -3.941 1.00 1.00 C ATOM 0 HA PRO X 43 93.518 -13.504 -5.748 1.00 1.00 H new ATOM 0 HB2 PRO X 43 90.816 -12.224 -5.208 1.00 1.00 H new ATOM 0 HB3 PRO X 43 91.434 -13.741 -4.587 1.00 1.00 H new ATOM 0 HG2 PRO X 43 91.324 -11.485 -3.081 1.00 1.00 H new ATOM 0 HG3 PRO X 43 92.528 -12.733 -2.824 1.00 1.00 H new ATOM 0 HD2 PRO X 43 92.917 -9.989 -3.886 1.00 1.00 H new ATOM 0 HD3 PRO X 43 94.125 -11.103 -3.276 1.00 1.00 H new ATOM 725 N TRP X 44 91.806 -11.387 -7.558 1.00 1.00 N ATOM 726 CA TRP X 44 91.315 -11.206 -8.954 1.00 1.00 C ATOM 727 C TRP X 44 91.715 -9.818 -9.460 1.00 1.00 C ATOM 728 O TRP X 44 92.518 -9.133 -8.858 1.00 1.00 O ATOM 729 CB TRP X 44 89.791 -11.339 -8.977 1.00 1.00 C ATOM 730 CG TRP X 44 89.400 -12.665 -8.410 1.00 1.00 C ATOM 731 CD1 TRP X 44 89.777 -13.865 -8.909 1.00 1.00 C ATOM 732 CD2 TRP X 44 88.564 -12.947 -7.251 1.00 1.00 C ATOM 733 NE1 TRP X 44 89.227 -14.866 -8.129 1.00 1.00 N ATOM 734 CE2 TRP X 44 88.470 -14.350 -7.095 1.00 1.00 C ATOM 735 CE3 TRP X 44 87.886 -12.129 -6.330 1.00 1.00 C ATOM 736 CZ2 TRP X 44 87.729 -14.922 -6.059 1.00 1.00 C ATOM 737 CZ3 TRP X 44 87.139 -12.701 -5.287 1.00 1.00 C ATOM 738 CH2 TRP X 44 87.060 -14.094 -5.153 1.00 1.00 C ATOM 0 H TRP X 44 91.655 -10.591 -6.939 1.00 1.00 H new ATOM 0 HA TRP X 44 91.757 -11.967 -9.597 1.00 1.00 H new ATOM 0 HB2 TRP X 44 89.336 -10.535 -8.398 1.00 1.00 H new ATOM 0 HB3 TRP X 44 89.422 -11.245 -9.998 1.00 1.00 H new ATOM 0 HD1 TRP X 44 90.405 -14.016 -9.775 1.00 1.00 H new ATOM 0 HE1 TRP X 44 89.364 -15.863 -8.297 1.00 1.00 H new ATOM 0 HE3 TRP X 44 87.940 -11.055 -6.425 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 87.673 -15.996 -5.958 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 86.623 -12.064 -4.584 1.00 1.00 H new ATOM 0 HH2 TRP X 44 86.482 -14.527 -4.350 1.00 1.00 H new ATOM 749 N PHE X 45 91.159 -9.398 -10.563 1.00 1.00 N ATOM 750 CA PHE X 45 91.509 -8.058 -11.116 1.00 1.00 C ATOM 751 C PHE X 45 90.236 -7.324 -11.548 1.00 1.00 C ATOM 752 O PHE X 45 90.051 -6.160 -11.251 1.00 1.00 O ATOM 753 CB PHE X 45 92.429 -8.231 -12.327 1.00 1.00 C ATOM 754 CG PHE X 45 93.711 -7.466 -12.100 1.00 1.00 C ATOM 755 CD1 PHE X 45 94.512 -7.758 -10.991 1.00 1.00 C ATOM 756 CD2 PHE X 45 94.099 -6.468 -13.002 1.00 1.00 C ATOM 757 CE1 PHE X 45 95.702 -7.051 -10.780 1.00 1.00 C ATOM 758 CE2 PHE X 45 95.290 -5.760 -12.791 1.00 1.00 C ATOM 759 CZ PHE X 45 96.092 -6.052 -11.681 1.00 1.00 C ATOM 0 H PHE X 45 90.476 -9.926 -11.107 1.00 1.00 H new ATOM 0 HA PHE X 45 92.017 -7.476 -10.348 1.00 1.00 H new ATOM 0 HB2 PHE X 45 92.647 -9.288 -12.484 1.00 1.00 H new ATOM 0 HB3 PHE X 45 91.933 -7.871 -13.228 1.00 1.00 H new ATOM 0 HD1 PHE X 45 94.212 -8.529 -10.297 1.00 1.00 H new ATOM 0 HD2 PHE X 45 93.481 -6.244 -13.859 1.00 1.00 H new ATOM 0 HE1 PHE X 45 96.319 -7.276 -9.923 1.00 1.00 H new ATOM 0 HE2 PHE X 45 95.589 -4.989 -13.485 1.00 1.00 H new ATOM 0 HZ PHE X 45 97.011 -5.507 -11.520 1.00 1.00 H new ATOM 769 N PRO X 46 89.367 -8.002 -12.247 1.00 1.00 N ATOM 770 CA PRO X 46 88.093 -7.405 -12.751 1.00 1.00 C ATOM 771 C PRO X 46 87.194 -6.908 -11.614 1.00 1.00 C ATOM 772 O PRO X 46 87.111 -7.514 -10.565 1.00 1.00 O ATOM 773 CB PRO X 46 87.413 -8.551 -13.507 1.00 1.00 C ATOM 774 CG PRO X 46 88.489 -9.549 -13.787 1.00 1.00 C ATOM 775 CD PRO X 46 89.501 -9.411 -12.633 1.00 1.00 C ATOM 0 HA PRO X 46 88.282 -6.530 -13.373 1.00 1.00 H new ATOM 0 HB2 PRO X 46 86.615 -8.993 -12.911 1.00 1.00 H new ATOM 0 HB3 PRO X 46 86.960 -8.195 -14.432 1.00 1.00 H new ATOM 0 HG2 PRO X 46 88.083 -10.559 -13.832 1.00 1.00 H new ATOM 0 HG3 PRO X 46 88.963 -9.353 -14.749 1.00 1.00 H new ATOM 0 HD2 PRO X 46 89.265 -10.081 -11.806 1.00 1.00 H new ATOM 0 HD3 PRO X 46 90.515 -9.647 -12.955 1.00 1.00 H new ATOM 783 N GLN X 47 86.522 -5.807 -11.816 1.00 1.00 N ATOM 784 CA GLN X 47 85.638 -5.267 -10.743 1.00 1.00 C ATOM 785 C GLN X 47 84.187 -5.242 -11.235 1.00 1.00 C ATOM 786 O GLN X 47 83.923 -5.109 -12.412 1.00 1.00 O ATOM 787 CB GLN X 47 86.080 -3.847 -10.387 1.00 1.00 C ATOM 788 CG GLN X 47 87.469 -3.892 -9.746 1.00 1.00 C ATOM 789 CD GLN X 47 87.997 -2.466 -9.573 1.00 1.00 C ATOM 790 OE1 GLN X 47 87.281 -1.509 -9.794 1.00 1.00 O ATOM 791 NE2 GLN X 47 89.229 -2.284 -9.186 1.00 1.00 N ATOM 0 H GLN X 47 86.547 -5.259 -12.676 1.00 1.00 H new ATOM 0 HA GLN X 47 85.709 -5.903 -9.861 1.00 1.00 H new ATOM 0 HB2 GLN X 47 86.101 -3.226 -11.282 1.00 1.00 H new ATOM 0 HB3 GLN X 47 85.365 -3.393 -9.700 1.00 1.00 H new ATOM 0 HG2 GLN X 47 87.419 -4.393 -8.779 1.00 1.00 H new ATOM 0 HG3 GLN X 47 88.151 -4.471 -10.370 1.00 1.00 H new ATOM 0 HE21 GLN X 47 89.829 -3.088 -9.001 1.00 1.00 H new ATOM 0 HE22 GLN X 47 89.592 -1.338 -9.069 1.00 1.00 H new ATOM 800 N GLU X 48 83.245 -5.375 -10.340 1.00 1.00 N ATOM 801 CA GLU X 48 81.813 -5.358 -10.756 1.00 1.00 C ATOM 802 C GLU X 48 80.997 -4.524 -9.766 1.00 1.00 C ATOM 803 O GLU X 48 81.371 -4.358 -8.623 1.00 1.00 O ATOM 804 CB GLU X 48 81.273 -6.788 -10.783 1.00 1.00 C ATOM 805 CG GLU X 48 81.932 -7.563 -11.926 1.00 1.00 C ATOM 806 CD GLU X 48 81.430 -9.008 -11.920 1.00 1.00 C ATOM 807 OE1 GLU X 48 80.522 -9.295 -11.158 1.00 1.00 O ATOM 808 OE2 GLU X 48 81.962 -9.802 -12.677 1.00 1.00 O ATOM 0 H GLU X 48 83.405 -5.495 -9.340 1.00 1.00 H new ATOM 0 HA GLU X 48 81.732 -4.918 -11.750 1.00 1.00 H new ATOM 0 HB2 GLU X 48 81.474 -7.281 -9.832 1.00 1.00 H new ATOM 0 HB3 GLU X 48 80.191 -6.777 -10.914 1.00 1.00 H new ATOM 0 HG2 GLU X 48 81.700 -7.091 -12.881 1.00 1.00 H new ATOM 0 HG3 GLU X 48 83.016 -7.543 -11.815 1.00 1.00 H new ATOM 815 N GLY X 49 79.886 -3.992 -10.200 1.00 1.00 N ATOM 816 CA GLY X 49 79.048 -3.164 -9.287 1.00 1.00 C ATOM 817 C GLY X 49 79.502 -1.704 -9.347 1.00 1.00 C ATOM 818 O GLY X 49 80.459 -1.372 -10.018 1.00 1.00 O ATOM 0 H GLY X 49 79.523 -4.095 -11.148 1.00 1.00 H new ATOM 0 HA2 GLY X 49 77.999 -3.240 -9.573 1.00 1.00 H new ATOM 0 HA3 GLY X 49 79.128 -3.538 -8.266 1.00 1.00 H new ATOM 822 N THR X 50 78.826 -0.831 -8.654 1.00 1.00 N ATOM 823 CA THR X 50 79.227 0.605 -8.679 1.00 1.00 C ATOM 824 C THR X 50 79.589 1.054 -7.262 1.00 1.00 C ATOM 825 O THR X 50 78.894 0.758 -6.310 1.00 1.00 O ATOM 826 CB THR X 50 78.064 1.452 -9.201 1.00 1.00 C ATOM 827 OG1 THR X 50 77.712 1.015 -10.507 1.00 1.00 O ATOM 828 CG2 THR X 50 78.482 2.923 -9.249 1.00 1.00 C ATOM 0 H THR X 50 78.016 -1.047 -8.073 1.00 1.00 H new ATOM 0 HA THR X 50 80.089 0.731 -9.334 1.00 1.00 H new ATOM 0 HB THR X 50 77.207 1.342 -8.536 1.00 1.00 H new ATOM 0 HG1 THR X 50 76.966 1.555 -10.843 1.00 1.00 H new ATOM 0 HG21 THR X 50 77.653 3.525 -9.621 1.00 1.00 H new ATOM 0 HG22 THR X 50 78.752 3.257 -8.247 1.00 1.00 H new ATOM 0 HG23 THR X 50 79.339 3.036 -9.913 1.00 1.00 H new ATOM 836 N ILE X 51 80.671 1.767 -7.114 1.00 1.00 N ATOM 837 CA ILE X 51 81.081 2.228 -5.757 1.00 1.00 C ATOM 838 C ILE X 51 80.410 3.568 -5.448 1.00 1.00 C ATOM 839 O ILE X 51 80.277 4.420 -6.305 1.00 1.00 O ATOM 840 CB ILE X 51 82.601 2.396 -5.715 1.00 1.00 C ATOM 841 CG1 ILE X 51 83.196 1.407 -4.712 1.00 1.00 C ATOM 842 CG2 ILE X 51 82.945 3.824 -5.286 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.723 1.760 -3.301 1.00 1.00 C ATOM 0 H ILE X 51 81.289 2.051 -7.874 1.00 1.00 H new ATOM 0 HA ILE X 51 80.776 1.491 -5.015 1.00 1.00 H new ATOM 0 HB ILE X 51 83.015 2.204 -6.705 1.00 1.00 H new ATOM 0 HG12 ILE X 51 82.893 0.391 -4.964 1.00 1.00 H new ATOM 0 HG13 ILE X 51 84.285 1.436 -4.759 1.00 1.00 H new ATOM 0 HG21 ILE X 51 84.028 3.944 -5.256 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.521 4.530 -6.000 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.531 4.016 -4.296 1.00 1.00 H new ATOM 0 HD11 ILE X 51 83.148 1.054 -2.588 1.00 1.00 H new ATOM 0 HD12 ILE X 51 83.048 2.770 -3.050 1.00 1.00 H new ATOM 0 HD13 ILE X 51 81.635 1.708 -3.258 1.00 1.00 H new ATOM 855 N ASP X 52 79.983 3.761 -4.230 1.00 1.00 N ATOM 856 CA ASP X 52 79.331 5.050 -3.861 1.00 1.00 C ATOM 857 C ASP X 52 80.394 6.063 -3.430 1.00 1.00 C ATOM 858 O ASP X 52 81.327 5.735 -2.723 1.00 1.00 O ATOM 859 CB ASP X 52 78.356 4.813 -2.705 1.00 1.00 C ATOM 860 CG ASP X 52 77.205 3.925 -3.180 1.00 1.00 C ATOM 861 OD1 ASP X 52 77.003 3.842 -4.381 1.00 1.00 O ATOM 862 OD2 ASP X 52 76.544 3.342 -2.336 1.00 1.00 O ATOM 0 H ASP X 52 80.058 3.081 -3.473 1.00 1.00 H new ATOM 0 HA ASP X 52 78.790 5.440 -4.723 1.00 1.00 H new ATOM 0 HB2 ASP X 52 78.873 4.340 -1.870 1.00 1.00 H new ATOM 0 HB3 ASP X 52 77.969 5.765 -2.341 1.00 1.00 H new ATOM 867 N ILE X 53 80.265 7.293 -3.848 1.00 1.00 N ATOM 868 CA ILE X 53 81.273 8.320 -3.460 1.00 1.00 C ATOM 869 C ILE X 53 81.257 8.501 -1.940 1.00 1.00 C ATOM 870 O ILE X 53 82.288 8.629 -1.311 1.00 1.00 O ATOM 871 CB ILE X 53 80.930 9.651 -4.133 1.00 1.00 C ATOM 872 CG1 ILE X 53 81.164 9.533 -5.641 1.00 1.00 C ATOM 873 CG2 ILE X 53 81.822 10.756 -3.566 1.00 1.00 C ATOM 874 CD1 ILE X 53 80.557 10.747 -6.349 1.00 1.00 C ATOM 0 H ILE X 53 79.506 7.630 -4.440 1.00 1.00 H new ATOM 0 HA ILE X 53 82.263 7.995 -3.778 1.00 1.00 H new ATOM 0 HB ILE X 53 79.885 9.895 -3.943 1.00 1.00 H new ATOM 0 HG12 ILE X 53 82.232 9.473 -5.850 1.00 1.00 H new ATOM 0 HG13 ILE X 53 80.713 8.615 -6.019 1.00 1.00 H new ATOM 0 HG21 ILE X 53 81.577 11.704 -4.046 1.00 1.00 H new ATOM 0 HG22 ILE X 53 81.658 10.840 -2.492 1.00 1.00 H new ATOM 0 HG23 ILE X 53 82.867 10.513 -3.756 1.00 1.00 H new ATOM 0 HD11 ILE X 53 80.724 10.663 -7.423 1.00 1.00 H new ATOM 0 HD12 ILE X 53 79.486 10.786 -6.150 1.00 1.00 H new ATOM 0 HD13 ILE X 53 81.028 11.657 -5.979 1.00 1.00 H new ATOM 886 N LYS X 54 80.095 8.510 -1.344 1.00 1.00 N ATOM 887 CA LYS X 54 80.019 8.679 0.134 1.00 1.00 C ATOM 888 C LYS X 54 80.799 7.552 0.815 1.00 1.00 C ATOM 889 O LYS X 54 81.479 7.762 1.799 1.00 1.00 O ATOM 890 CB LYS X 54 78.555 8.629 0.580 1.00 1.00 C ATOM 891 CG LYS X 54 77.842 9.905 0.132 1.00 1.00 C ATOM 892 CD LYS X 54 76.375 9.848 0.564 1.00 1.00 C ATOM 893 CE LYS X 54 75.640 11.082 0.039 1.00 1.00 C ATOM 894 NZ LYS X 54 76.361 12.312 0.472 1.00 1.00 N ATOM 0 H LYS X 54 79.197 8.408 -1.817 1.00 1.00 H new ATOM 0 HA LYS X 54 80.450 9.641 0.413 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.063 7.755 0.152 1.00 1.00 H new ATOM 0 HB3 LYS X 54 78.497 8.529 1.664 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.327 10.778 0.569 1.00 1.00 H new ATOM 0 HG3 LYS X 54 77.910 10.011 -0.951 1.00 1.00 H new ATOM 0 HD2 LYS X 54 75.907 8.942 0.180 1.00 1.00 H new ATOM 0 HD3 LYS X 54 76.306 9.806 1.651 1.00 1.00 H new ATOM 0 HE2 LYS X 54 75.580 11.047 -1.049 1.00 1.00 H new ATOM 0 HE3 LYS X 54 74.617 11.096 0.415 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 75.727 13.133 0.390 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 76.665 12.206 1.461 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 77.195 12.457 -0.133 1.00 1.00 H new ATOM 908 N PHE X 55 80.708 6.357 0.297 1.00 1.00 N ATOM 909 CA PHE X 55 81.435 5.216 0.921 1.00 1.00 C ATOM 910 C PHE X 55 82.892 5.228 0.452 1.00 1.00 C ATOM 911 O PHE X 55 83.750 4.614 1.055 1.00 1.00 O ATOM 912 CB PHE X 55 80.771 3.899 0.509 1.00 1.00 C ATOM 913 CG PHE X 55 81.484 2.743 1.167 1.00 1.00 C ATOM 914 CD1 PHE X 55 81.246 2.450 2.515 1.00 1.00 C ATOM 915 CD2 PHE X 55 82.384 1.965 0.430 1.00 1.00 C ATOM 916 CE1 PHE X 55 81.906 1.377 3.126 1.00 1.00 C ATOM 917 CE2 PHE X 55 83.045 0.891 1.040 1.00 1.00 C ATOM 918 CZ PHE X 55 82.806 0.598 2.389 1.00 1.00 C ATOM 0 H PHE X 55 80.161 6.122 -0.532 1.00 1.00 H new ATOM 0 HA PHE X 55 81.402 5.310 2.006 1.00 1.00 H new ATOM 0 HB2 PHE X 55 79.720 3.904 0.799 1.00 1.00 H new ATOM 0 HB3 PHE X 55 80.802 3.788 -0.575 1.00 1.00 H new ATOM 0 HD1 PHE X 55 80.553 3.052 3.084 1.00 1.00 H new ATOM 0 HD2 PHE X 55 82.569 2.193 -0.609 1.00 1.00 H new ATOM 0 HE1 PHE X 55 81.721 1.150 4.166 1.00 1.00 H new ATOM 0 HE2 PHE X 55 83.738 0.289 0.471 1.00 1.00 H new ATOM 0 HZ PHE X 55 83.316 -0.229 2.860 1.00 1.00 H new ATOM 928 N TRP X 56 83.181 5.918 -0.616 1.00 1.00 N ATOM 929 CA TRP X 56 84.583 5.954 -1.119 1.00 1.00 C ATOM 930 C TRP X 56 85.485 6.623 -0.080 1.00 1.00 C ATOM 931 O TRP X 56 86.618 6.231 0.116 1.00 1.00 O ATOM 932 CB TRP X 56 84.635 6.748 -2.426 1.00 1.00 C ATOM 933 CG TRP X 56 86.052 7.118 -2.726 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.129 6.342 -2.466 1.00 1.00 C ATOM 935 CD2 TRP X 56 86.563 8.337 -3.338 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.269 7.007 -2.879 1.00 1.00 N ATOM 937 CE2 TRP X 56 87.972 8.241 -3.424 1.00 1.00 C ATOM 938 CE3 TRP X 56 85.947 9.505 -3.823 1.00 1.00 C ATOM 939 CZ2 TRP X 56 88.743 9.268 -3.970 1.00 1.00 C ATOM 940 CZ3 TRP X 56 86.720 10.540 -4.374 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.115 10.422 -4.447 1.00 1.00 C ATOM 0 H TRP X 56 82.509 6.458 -1.161 1.00 1.00 H new ATOM 0 HA TRP X 56 84.930 4.936 -1.297 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.222 6.154 -3.242 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.023 7.646 -2.343 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.103 5.363 -2.010 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.214 6.632 -2.792 1.00 1.00 H new ATOM 0 HE3 TRP X 56 84.873 9.606 -3.771 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 89.817 9.172 -4.024 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 86.237 11.432 -4.744 1.00 1.00 H new ATOM 0 HH2 TRP X 56 88.704 11.222 -4.871 1.00 1.00 H new ATOM 952 N ARG X 57 84.994 7.630 0.588 1.00 1.00 N ATOM 953 CA ARG X 57 85.835 8.333 1.597 1.00 1.00 C ATOM 954 C ARG X 57 86.331 7.328 2.638 1.00 1.00 C ATOM 955 O ARG X 57 87.480 7.345 3.033 1.00 1.00 O ATOM 956 CB ARG X 57 85.003 9.416 2.289 1.00 1.00 C ATOM 957 CG ARG X 57 84.776 10.582 1.325 1.00 1.00 C ATOM 958 CD ARG X 57 83.306 11.000 1.366 1.00 1.00 C ATOM 959 NE ARG X 57 82.952 11.440 2.745 1.00 1.00 N ATOM 960 CZ ARG X 57 81.708 11.680 3.055 1.00 1.00 C ATOM 961 NH1 ARG X 57 80.770 11.531 2.158 1.00 1.00 N ATOM 962 NH2 ARG X 57 81.399 12.068 4.262 1.00 1.00 N ATOM 0 H ARG X 57 84.048 7.996 0.479 1.00 1.00 H new ATOM 0 HA ARG X 57 86.690 8.793 1.101 1.00 1.00 H new ATOM 0 HB2 ARG X 57 84.046 9.004 2.610 1.00 1.00 H new ATOM 0 HB3 ARG X 57 85.516 9.766 3.185 1.00 1.00 H new ATOM 0 HG2 ARG X 57 85.412 11.424 1.600 1.00 1.00 H new ATOM 0 HG3 ARG X 57 85.054 10.290 0.312 1.00 1.00 H new ATOM 0 HD2 ARG X 57 83.127 11.809 0.658 1.00 1.00 H new ATOM 0 HD3 ARG X 57 82.671 10.166 1.065 1.00 1.00 H new ATOM 0 HE ARG X 57 83.683 11.554 3.447 1.00 1.00 H new ATOM 0 HH11 ARG X 57 81.010 11.227 1.215 1.00 1.00 H new ATOM 0 HH12 ARG X 57 79.797 11.719 2.401 1.00 1.00 H new ATOM 0 HH21 ARG X 57 82.130 12.184 4.963 1.00 1.00 H new ATOM 0 HH22 ARG X 57 80.426 12.256 4.504 1.00 1.00 H new ATOM 976 N ARG X 58 85.476 6.449 3.085 1.00 1.00 N ATOM 977 CA ARG X 58 85.901 5.448 4.103 1.00 1.00 C ATOM 978 C ARG X 58 86.902 4.477 3.476 1.00 1.00 C ATOM 979 O ARG X 58 87.838 4.038 4.112 1.00 1.00 O ATOM 980 CB ARG X 58 84.678 4.672 4.596 1.00 1.00 C ATOM 981 CG ARG X 58 83.837 5.569 5.508 1.00 1.00 C ATOM 982 CD ARG X 58 82.372 5.509 5.073 1.00 1.00 C ATOM 983 NE ARG X 58 81.545 6.338 5.995 1.00 1.00 N ATOM 984 CZ ARG X 58 81.542 7.639 5.878 1.00 1.00 C ATOM 985 NH1 ARG X 58 82.262 8.212 4.954 1.00 1.00 N ATOM 986 NH2 ARG X 58 80.819 8.364 6.686 1.00 1.00 N ATOM 0 H ARG X 58 84.502 6.381 2.789 1.00 1.00 H new ATOM 0 HA ARG X 58 86.369 5.960 4.943 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.081 4.336 3.748 1.00 1.00 H new ATOM 0 HB3 ARG X 58 84.994 3.780 5.137 1.00 1.00 H new ATOM 0 HG2 ARG X 58 83.933 5.244 6.544 1.00 1.00 H new ATOM 0 HG3 ARG X 58 84.200 6.596 5.461 1.00 1.00 H new ATOM 0 HD2 ARG X 58 82.270 5.872 4.050 1.00 1.00 H new ATOM 0 HD3 ARG X 58 82.021 4.477 5.081 1.00 1.00 H new ATOM 0 HE ARG X 58 80.981 5.890 6.717 1.00 1.00 H new ATOM 0 HH11 ARG X 58 82.827 7.644 4.323 1.00 1.00 H new ATOM 0 HH12 ARG X 58 82.260 9.228 4.862 1.00 1.00 H new ATOM 0 HH21 ARG X 58 80.256 7.915 7.409 1.00 1.00 H new ATOM 0 HH22 ARG X 58 80.816 9.380 6.595 1.00 1.00 H new ATOM 1000 N VAL X 59 86.712 4.138 2.230 1.00 1.00 N ATOM 1001 CA VAL X 59 87.649 3.189 1.565 1.00 1.00 C ATOM 1002 C VAL X 59 89.030 3.835 1.452 1.00 1.00 C ATOM 1003 O VAL X 59 90.041 3.215 1.713 1.00 1.00 O ATOM 1004 CB VAL X 59 87.125 2.850 0.167 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.231 2.167 -0.640 1.00 1.00 C ATOM 1006 CG2 VAL X 59 85.926 1.907 0.288 1.00 1.00 C ATOM 0 H VAL X 59 85.949 4.477 1.644 1.00 1.00 H new ATOM 0 HA VAL X 59 87.723 2.275 2.155 1.00 1.00 H new ATOM 0 HB VAL X 59 86.819 3.766 -0.339 1.00 1.00 H new ATOM 0 HG11 VAL X 59 87.859 1.925 -1.636 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.086 2.837 -0.725 1.00 1.00 H new ATOM 0 HG13 VAL X 59 88.537 1.251 -0.135 1.00 1.00 H new ATOM 0 HG21 VAL X 59 85.552 1.665 -0.707 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.233 0.991 0.793 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.138 2.392 0.864 1.00 1.00 H new ATOM 1016 N GLY X 60 89.081 5.081 1.062 1.00 1.00 N ATOM 1017 CA GLY X 60 90.397 5.765 0.924 1.00 1.00 C ATOM 1018 C GLY X 60 91.122 5.757 2.269 1.00 1.00 C ATOM 1019 O GLY X 60 92.299 5.466 2.349 1.00 1.00 O ATOM 0 H GLY X 60 88.268 5.653 0.833 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.002 5.262 0.170 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.252 6.790 0.584 1.00 1.00 H new ATOM 1023 N ASP X 61 90.432 6.076 3.329 1.00 1.00 N ATOM 1024 CA ASP X 61 91.083 6.083 4.669 1.00 1.00 C ATOM 1025 C ASP X 61 91.444 4.650 5.068 1.00 1.00 C ATOM 1026 O ASP X 61 92.472 4.402 5.665 1.00 1.00 O ATOM 1027 CB ASP X 61 90.120 6.672 5.701 1.00 1.00 C ATOM 1028 CG ASP X 61 90.219 8.198 5.679 1.00 1.00 C ATOM 1029 OD1 ASP X 61 91.070 8.707 4.970 1.00 1.00 O ATOM 1030 OD2 ASP X 61 89.440 8.832 6.373 1.00 1.00 O ATOM 0 H ASP X 61 89.445 6.332 3.325 1.00 1.00 H new ATOM 0 HA ASP X 61 91.988 6.689 4.630 1.00 1.00 H new ATOM 0 HB2 ASP X 61 89.099 6.360 5.481 1.00 1.00 H new ATOM 0 HB3 ASP X 61 90.361 6.296 6.695 1.00 1.00 H new ATOM 1035 N CYS X 62 90.606 3.706 4.740 1.00 1.00 N ATOM 1036 CA CYS X 62 90.901 2.290 5.104 1.00 1.00 C ATOM 1037 C CYS X 62 92.155 1.824 4.362 1.00 1.00 C ATOM 1038 O CYS X 62 93.089 1.324 4.956 1.00 1.00 O ATOM 1039 CB CYS X 62 89.717 1.406 4.708 1.00 1.00 C ATOM 1040 SG CYS X 62 88.263 1.874 5.681 1.00 1.00 S ATOM 0 H CYS X 62 89.731 3.852 4.237 1.00 1.00 H new ATOM 0 HA CYS X 62 91.066 2.217 6.179 1.00 1.00 H new ATOM 0 HB2 CYS X 62 89.507 1.516 3.644 1.00 1.00 H new ATOM 0 HB3 CYS X 62 89.960 0.357 4.878 1.00 1.00 H new ATOM 0 HG CYS X 62 87.720 2.937 5.166 1.00 1.00 H new ATOM 1046 N PHE X 63 92.185 1.984 3.067 1.00 1.00 N ATOM 1047 CA PHE X 63 93.379 1.545 2.290 1.00 1.00 C ATOM 1048 C PHE X 63 94.602 2.348 2.737 1.00 1.00 C ATOM 1049 O PHE X 63 95.679 1.811 2.908 1.00 1.00 O ATOM 1050 CB PHE X 63 93.131 1.781 0.798 1.00 1.00 C ATOM 1051 CG PHE X 63 92.586 0.519 0.172 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.469 -0.113 0.731 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.200 -0.019 -0.966 1.00 1.00 C ATOM 1054 CE1 PHE X 63 90.963 -1.282 0.151 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.694 -1.189 -1.546 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.576 -1.821 -0.987 1.00 1.00 C ATOM 0 H PHE X 63 91.435 2.399 2.514 1.00 1.00 H new ATOM 0 HA PHE X 63 93.557 0.484 2.466 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.426 2.601 0.661 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.059 2.072 0.306 1.00 1.00 H new ATOM 0 HD1 PHE X 63 90.998 0.301 1.610 1.00 1.00 H new ATOM 0 HD2 PHE X 63 94.063 0.468 -1.396 1.00 1.00 H new ATOM 0 HE1 PHE X 63 90.100 -1.768 0.581 1.00 1.00 H new ATOM 0 HE2 PHE X 63 93.166 -1.604 -2.424 1.00 1.00 H new ATOM 0 HZ PHE X 63 91.187 -2.724 -1.434 1.00 1.00 H new ATOM 1066 N GLN X 64 94.445 3.629 2.929 1.00 1.00 N ATOM 1067 CA GLN X 64 95.599 4.463 3.367 1.00 1.00 C ATOM 1068 C GLN X 64 96.142 3.926 4.693 1.00 1.00 C ATOM 1069 O GLN X 64 97.336 3.890 4.916 1.00 1.00 O ATOM 1070 CB GLN X 64 95.139 5.910 3.555 1.00 1.00 C ATOM 1071 CG GLN X 64 96.313 6.759 4.048 1.00 1.00 C ATOM 1072 CD GLN X 64 95.901 8.232 4.081 1.00 1.00 C ATOM 1073 OE1 GLN X 64 94.886 8.604 3.525 1.00 1.00 O ATOM 1074 NE2 GLN X 64 96.651 9.094 4.712 1.00 1.00 N ATOM 0 H GLN X 64 93.568 4.134 2.802 1.00 1.00 H new ATOM 0 HA GLN X 64 96.383 4.425 2.610 1.00 1.00 H new ATOM 0 HB2 GLN X 64 94.759 6.307 2.614 1.00 1.00 H new ATOM 0 HB3 GLN X 64 94.320 5.952 4.272 1.00 1.00 H new ATOM 0 HG2 GLN X 64 96.618 6.434 5.043 1.00 1.00 H new ATOM 0 HG3 GLN X 64 97.173 6.626 3.391 1.00 1.00 H new ATOM 0 HE21 GLN X 64 97.503 8.783 5.179 1.00 1.00 H new ATOM 0 HE22 GLN X 64 96.385 10.078 4.738 1.00 1.00 H new ATOM 1083 N ASP X 65 95.276 3.506 5.573 1.00 1.00 N ATOM 1084 CA ASP X 65 95.748 2.974 6.882 1.00 1.00 C ATOM 1085 C ASP X 65 96.605 1.730 6.643 1.00 1.00 C ATOM 1086 O ASP X 65 97.655 1.564 7.231 1.00 1.00 O ATOM 1087 CB ASP X 65 94.540 2.604 7.746 1.00 1.00 C ATOM 1088 CG ASP X 65 93.865 3.880 8.254 1.00 1.00 C ATOM 1089 OD1 ASP X 65 94.492 4.925 8.188 1.00 1.00 O ATOM 1090 OD2 ASP X 65 92.733 3.791 8.699 1.00 1.00 O ATOM 0 H ASP X 65 94.264 3.508 5.443 1.00 1.00 H new ATOM 0 HA ASP X 65 96.341 3.732 7.393 1.00 1.00 H new ATOM 0 HB2 ASP X 65 93.832 2.012 7.166 1.00 1.00 H new ATOM 0 HB3 ASP X 65 94.857 1.988 8.587 1.00 1.00 H new ATOM 1095 N TYR X 66 96.164 0.852 5.783 1.00 1.00 N ATOM 1096 CA TYR X 66 96.949 -0.384 5.508 1.00 1.00 C ATOM 1097 C TYR X 66 98.231 -0.015 4.758 1.00 1.00 C ATOM 1098 O TYR X 66 99.259 -0.643 4.923 1.00 1.00 O ATOM 1099 CB TYR X 66 96.116 -1.340 4.654 1.00 1.00 C ATOM 1100 CG TYR X 66 94.981 -1.896 5.481 1.00 1.00 C ATOM 1101 CD1 TYR X 66 95.251 -2.745 6.560 1.00 1.00 C ATOM 1102 CD2 TYR X 66 93.658 -1.563 5.165 1.00 1.00 C ATOM 1103 CE1 TYR X 66 94.198 -3.260 7.326 1.00 1.00 C ATOM 1104 CE2 TYR X 66 92.605 -2.078 5.931 1.00 1.00 C ATOM 1105 CZ TYR X 66 92.876 -2.928 7.011 1.00 1.00 C ATOM 1106 OH TYR X 66 91.837 -3.436 7.765 1.00 1.00 O ATOM 0 H TYR X 66 95.293 0.938 5.259 1.00 1.00 H new ATOM 0 HA TYR X 66 97.204 -0.870 6.450 1.00 1.00 H new ATOM 0 HB2 TYR X 66 95.723 -0.817 3.782 1.00 1.00 H new ATOM 0 HB3 TYR X 66 96.741 -2.152 4.283 1.00 1.00 H new ATOM 0 HD1 TYR X 66 96.271 -3.003 6.802 1.00 1.00 H new ATOM 0 HD2 TYR X 66 93.450 -0.909 4.331 1.00 1.00 H new ATOM 0 HE1 TYR X 66 94.406 -3.914 8.160 1.00 1.00 H new ATOM 0 HE2 TYR X 66 91.584 -1.820 5.689 1.00 1.00 H new ATOM 0 HH TYR X 66 90.985 -3.105 7.412 1.00 1.00 H new ATOM 1116 N TYR X 67 98.179 0.996 3.937 1.00 1.00 N ATOM 1117 CA TYR X 67 99.392 1.394 3.169 1.00 1.00 C ATOM 1118 C TYR X 67 100.478 1.861 4.140 1.00 1.00 C ATOM 1119 O TYR X 67 101.585 1.359 4.137 1.00 1.00 O ATOM 1120 CB TYR X 67 99.038 2.533 2.212 1.00 1.00 C ATOM 1121 CG TYR X 67 100.305 3.216 1.754 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.209 2.533 0.931 1.00 1.00 C ATOM 1123 CD2 TYR X 67 100.576 4.530 2.152 1.00 1.00 C ATOM 1124 CE1 TYR X 67 102.384 3.166 0.505 1.00 1.00 C ATOM 1125 CE2 TYR X 67 101.750 5.163 1.727 1.00 1.00 C ATOM 1126 CZ TYR X 67 102.654 4.481 0.904 1.00 1.00 C ATOM 1127 OH TYR X 67 103.812 5.105 0.485 1.00 1.00 O ATOM 0 H TYR X 67 97.350 1.564 3.764 1.00 1.00 H new ATOM 0 HA TYR X 67 99.758 0.541 2.598 1.00 1.00 H new ATOM 0 HB2 TYR X 67 98.491 2.144 1.353 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.384 3.250 2.709 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.000 1.519 0.625 1.00 1.00 H new ATOM 0 HD2 TYR X 67 99.879 5.056 2.787 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.081 2.640 -0.131 1.00 1.00 H new ATOM 0 HE2 TYR X 67 101.958 6.177 2.034 1.00 1.00 H new ATOM 0 HH TYR X 67 103.844 6.014 0.850 1.00 1.00 H new ATOM 1137 N ASN X 68 100.171 2.818 4.971 1.00 1.00 N ATOM 1138 CA ASN X 68 101.195 3.334 5.921 1.00 1.00 C ATOM 1139 C ASN X 68 101.477 2.273 6.987 1.00 1.00 C ATOM 1140 O ASN X 68 102.593 2.115 7.439 1.00 1.00 O ATOM 1141 CB ASN X 68 100.675 4.608 6.593 1.00 1.00 C ATOM 1142 CG ASN X 68 100.768 5.776 5.610 1.00 1.00 C ATOM 1143 OD1 ASN X 68 101.386 5.664 4.569 1.00 1.00 O ATOM 1144 ND2 ASN X 68 100.174 6.903 5.896 1.00 1.00 N ATOM 0 H ASN X 68 99.256 3.265 5.033 1.00 1.00 H new ATOM 0 HA ASN X 68 102.113 3.561 5.379 1.00 1.00 H new ATOM 0 HB2 ASN X 68 99.642 4.468 6.912 1.00 1.00 H new ATOM 0 HB3 ASN X 68 101.258 4.824 7.488 1.00 1.00 H new ATOM 0 HD21 ASN X 68 100.229 7.688 5.247 1.00 1.00 H new ATOM 0 HD22 ASN X 68 99.655 6.999 6.769 1.00 1.00 H new ATOM 1151 N THR X 69 100.472 1.544 7.390 1.00 1.00 N ATOM 1152 CA THR X 69 100.676 0.519 8.452 1.00 1.00 C ATOM 1153 C THR X 69 101.624 -0.564 7.934 1.00 1.00 C ATOM 1154 O THR X 69 102.561 -0.954 8.602 1.00 1.00 O ATOM 1155 CB THR X 69 99.330 -0.111 8.818 1.00 1.00 C ATOM 1156 OG1 THR X 69 98.469 0.887 9.348 1.00 1.00 O ATOM 1157 CG2 THR X 69 99.546 -1.208 9.862 1.00 1.00 C ATOM 0 H THR X 69 99.520 1.614 7.030 1.00 1.00 H new ATOM 0 HA THR X 69 101.108 0.989 9.336 1.00 1.00 H new ATOM 0 HB THR X 69 98.877 -0.545 7.926 1.00 1.00 H new ATOM 0 HG1 THR X 69 97.789 1.120 8.682 1.00 1.00 H new ATOM 0 HG21 THR X 69 98.587 -1.656 10.122 1.00 1.00 H new ATOM 0 HG22 THR X 69 100.206 -1.974 9.454 1.00 1.00 H new ATOM 0 HG23 THR X 69 99.999 -0.777 10.755 1.00 1.00 H new ATOM 1165 N PHE X 70 101.390 -1.051 6.745 1.00 1.00 N ATOM 1166 CA PHE X 70 102.252 -2.139 6.204 1.00 1.00 C ATOM 1167 C PHE X 70 103.060 -1.600 5.023 1.00 1.00 C ATOM 1168 O PHE X 70 104.269 -1.721 4.978 1.00 1.00 O ATOM 1169 CB PHE X 70 101.374 -3.300 5.734 1.00 1.00 C ATOM 1170 CG PHE X 70 100.722 -3.955 6.928 1.00 1.00 C ATOM 1171 CD1 PHE X 70 101.432 -4.898 7.683 1.00 1.00 C ATOM 1172 CD2 PHE X 70 99.410 -3.620 7.281 1.00 1.00 C ATOM 1173 CE1 PHE X 70 100.827 -5.505 8.791 1.00 1.00 C ATOM 1174 CE2 PHE X 70 98.806 -4.227 8.389 1.00 1.00 C ATOM 1175 CZ PHE X 70 99.515 -5.170 9.143 1.00 1.00 C ATOM 0 H PHE X 70 100.640 -0.742 6.126 1.00 1.00 H new ATOM 0 HA PHE X 70 102.930 -2.491 6.982 1.00 1.00 H new ATOM 0 HB2 PHE X 70 100.612 -2.937 5.044 1.00 1.00 H new ATOM 0 HB3 PHE X 70 101.976 -4.028 5.190 1.00 1.00 H new ATOM 0 HD1 PHE X 70 102.445 -5.157 7.411 1.00 1.00 H new ATOM 0 HD2 PHE X 70 98.863 -2.893 6.699 1.00 1.00 H new ATOM 0 HE1 PHE X 70 101.373 -6.232 9.374 1.00 1.00 H new ATOM 0 HE2 PHE X 70 97.794 -3.968 8.662 1.00 1.00 H new ATOM 0 HZ PHE X 70 99.049 -5.639 9.997 1.00 1.00 H new ATOM 1185 N GLY X 71 102.402 -1.005 4.067 1.00 1.00 N ATOM 1186 CA GLY X 71 103.128 -0.482 2.876 1.00 1.00 C ATOM 1187 C GLY X 71 102.296 -0.737 1.619 1.00 1.00 C ATOM 1188 O GLY X 71 101.138 -1.100 1.694 1.00 1.00 O ATOM 0 H GLY X 71 101.393 -0.858 4.059 1.00 1.00 H new ATOM 0 HA2 GLY X 71 103.315 0.586 2.991 1.00 1.00 H new ATOM 0 HA3 GLY X 71 104.100 -0.968 2.787 1.00 1.00 H new ATOM 1192 N PRO X 72 102.887 -0.548 0.471 1.00 1.00 N ATOM 1193 CA PRO X 72 102.204 -0.754 -0.836 1.00 1.00 C ATOM 1194 C PRO X 72 101.932 -2.235 -1.113 1.00 1.00 C ATOM 1195 O PRO X 72 101.103 -2.581 -1.932 1.00 1.00 O ATOM 1196 CB PRO X 72 103.180 -0.183 -1.877 1.00 1.00 C ATOM 1197 CG PRO X 72 104.524 -0.131 -1.217 1.00 1.00 C ATOM 1198 CD PRO X 72 104.275 -0.118 0.294 1.00 1.00 C ATOM 0 HA PRO X 72 101.229 -0.267 -0.857 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.209 -0.811 -2.767 1.00 1.00 H new ATOM 0 HB3 PRO X 72 102.867 0.810 -2.198 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.128 -0.992 -1.502 1.00 1.00 H new ATOM 0 HG3 PRO X 72 105.072 0.759 -1.526 1.00 1.00 H new ATOM 0 HD2 PRO X 72 104.962 -0.789 0.810 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.432 0.878 0.708 1.00 1.00 H new ATOM 1206 N GLU X 73 102.619 -3.111 -0.433 1.00 1.00 N ATOM 1207 CA GLU X 73 102.397 -4.567 -0.659 1.00 1.00 C ATOM 1208 C GLU X 73 100.928 -4.899 -0.396 1.00 1.00 C ATOM 1209 O GLU X 73 100.262 -5.507 -1.210 1.00 1.00 O ATOM 1210 CB GLU X 73 103.282 -5.374 0.292 1.00 1.00 C ATOM 1211 CG GLU X 73 104.748 -5.220 -0.117 1.00 1.00 C ATOM 1212 CD GLU X 73 105.639 -5.952 0.888 1.00 1.00 C ATOM 1213 OE1 GLU X 73 105.099 -6.535 1.814 1.00 1.00 O ATOM 1214 OE2 GLU X 73 106.847 -5.916 0.715 1.00 1.00 O ATOM 0 H GLU X 73 103.323 -2.882 0.268 1.00 1.00 H new ATOM 0 HA GLU X 73 102.651 -4.820 -1.688 1.00 1.00 H new ATOM 0 HB2 GLU X 73 103.142 -5.029 1.316 1.00 1.00 H new ATOM 0 HB3 GLU X 73 102.996 -6.425 0.267 1.00 1.00 H new ATOM 0 HG2 GLU X 73 104.902 -5.625 -1.117 1.00 1.00 H new ATOM 0 HG3 GLU X 73 105.017 -4.164 -0.156 1.00 1.00 H new ATOM 1221 N LYS X 74 100.416 -4.503 0.738 1.00 1.00 N ATOM 1222 CA LYS X 74 98.988 -4.791 1.053 1.00 1.00 C ATOM 1223 C LYS X 74 98.090 -4.032 0.075 1.00 1.00 C ATOM 1224 O LYS X 74 97.080 -4.534 -0.372 1.00 1.00 O ATOM 1225 CB LYS X 74 98.681 -4.341 2.483 1.00 1.00 C ATOM 1226 CG LYS X 74 99.552 -5.128 3.464 1.00 1.00 C ATOM 1227 CD LYS X 74 99.187 -6.613 3.394 1.00 1.00 C ATOM 1228 CE LYS X 74 99.563 -7.293 4.711 1.00 1.00 C ATOM 1229 NZ LYS X 74 99.418 -8.769 4.567 1.00 1.00 N ATOM 0 H LYS X 74 100.925 -3.993 1.460 1.00 1.00 H new ATOM 0 HA LYS X 74 98.803 -5.861 0.962 1.00 1.00 H new ATOM 0 HB2 LYS X 74 98.871 -3.273 2.588 1.00 1.00 H new ATOM 0 HB3 LYS X 74 97.626 -4.501 2.707 1.00 1.00 H new ATOM 0 HG2 LYS X 74 100.606 -4.990 3.222 1.00 1.00 H new ATOM 0 HG3 LYS X 74 99.406 -4.754 4.477 1.00 1.00 H new ATOM 0 HD2 LYS X 74 98.120 -6.728 3.205 1.00 1.00 H new ATOM 0 HD3 LYS X 74 99.710 -7.088 2.564 1.00 1.00 H new ATOM 0 HE2 LYS X 74 100.589 -7.042 4.982 1.00 1.00 H new ATOM 0 HE3 LYS X 74 98.923 -6.931 5.515 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 99.674 -9.232 5.463 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 98.433 -8.999 4.327 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 100.046 -9.107 3.811 1.00 1.00 H new ATOM 1243 N VAL X 75 98.453 -2.824 -0.258 1.00 1.00 N ATOM 1244 CA VAL X 75 97.619 -2.031 -1.203 1.00 1.00 C ATOM 1245 C VAL X 75 98.523 -1.135 -2.052 1.00 1.00 C ATOM 1246 O VAL X 75 98.703 0.032 -1.762 1.00 1.00 O ATOM 1247 CB VAL X 75 96.639 -1.163 -0.412 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.452 -2.015 0.040 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.348 -0.585 0.815 1.00 1.00 C ATOM 0 H VAL X 75 99.291 -2.352 0.083 1.00 1.00 H new ATOM 0 HA VAL X 75 97.063 -2.707 -1.853 1.00 1.00 H new ATOM 0 HB VAL X 75 96.282 -0.350 -1.044 1.00 1.00 H new ATOM 0 HG11 VAL X 75 94.754 -1.396 0.604 1.00 1.00 H new ATOM 0 HG12 VAL X 75 94.947 -2.428 -0.833 1.00 1.00 H new ATOM 0 HG13 VAL X 75 95.808 -2.829 0.672 1.00 1.00 H new ATOM 0 HG21 VAL X 75 96.651 0.034 1.380 1.00 1.00 H new ATOM 0 HG22 VAL X 75 97.704 -1.399 1.446 1.00 1.00 H new ATOM 0 HG23 VAL X 75 98.194 0.022 0.494 1.00 1.00 H new ATOM 1259 N PRO X 76 99.087 -1.682 -3.093 1.00 1.00 N ATOM 1260 CA PRO X 76 99.992 -0.935 -4.007 1.00 1.00 C ATOM 1261 C PRO X 76 99.325 0.314 -4.593 1.00 1.00 C ATOM 1262 O PRO X 76 98.115 0.439 -4.596 1.00 1.00 O ATOM 1263 CB PRO X 76 100.301 -1.946 -5.110 1.00 1.00 C ATOM 1264 CG PRO X 76 100.027 -3.286 -4.505 1.00 1.00 C ATOM 1265 CD PRO X 76 98.919 -3.081 -3.516 1.00 1.00 C ATOM 0 HA PRO X 76 100.879 -0.567 -3.491 1.00 1.00 H new ATOM 0 HB2 PRO X 76 99.676 -1.775 -5.987 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.338 -1.867 -5.437 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.737 -4.006 -5.270 1.00 1.00 H new ATOM 0 HG3 PRO X 76 100.917 -3.681 -4.016 1.00 1.00 H new ATOM 0 HD2 PRO X 76 97.942 -3.248 -3.969 1.00 1.00 H new ATOM 0 HD3 PRO X 76 99.002 -3.767 -2.673 1.00 1.00 H new ATOM 1273 N VAL X 77 100.102 1.237 -5.090 1.00 1.00 N ATOM 1274 CA VAL X 77 99.513 2.473 -5.675 1.00 1.00 C ATOM 1275 C VAL X 77 98.526 2.093 -6.782 1.00 1.00 C ATOM 1276 O VAL X 77 97.854 2.934 -7.344 1.00 1.00 O ATOM 1277 CB VAL X 77 100.627 3.341 -6.264 1.00 1.00 C ATOM 1278 CG1 VAL X 77 101.556 3.809 -5.143 1.00 1.00 C ATOM 1279 CG2 VAL X 77 101.426 2.523 -7.280 1.00 1.00 C ATOM 0 H VAL X 77 101.120 1.188 -5.116 1.00 1.00 H new ATOM 0 HA VAL X 77 98.991 3.030 -4.896 1.00 1.00 H new ATOM 0 HB VAL X 77 100.189 4.208 -6.758 1.00 1.00 H new ATOM 0 HG11 VAL X 77 102.350 4.427 -5.562 1.00 1.00 H new ATOM 0 HG12 VAL X 77 100.987 4.391 -4.418 1.00 1.00 H new ATOM 0 HG13 VAL X 77 101.994 2.942 -4.648 1.00 1.00 H new ATOM 0 HG21 VAL X 77 102.220 3.140 -7.700 1.00 1.00 H new ATOM 0 HG22 VAL X 77 101.864 1.656 -6.785 1.00 1.00 H new ATOM 0 HG23 VAL X 77 100.764 2.189 -8.079 1.00 1.00 H new ATOM 1289 N THR X 78 98.436 0.830 -7.099 1.00 1.00 N ATOM 1290 CA THR X 78 97.495 0.397 -8.171 1.00 1.00 C ATOM 1291 C THR X 78 96.059 0.697 -7.738 1.00 1.00 C ATOM 1292 O THR X 78 95.209 1.010 -8.547 1.00 1.00 O ATOM 1293 CB THR X 78 97.652 -1.106 -8.413 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.283 -1.815 -7.238 1.00 1.00 O ATOM 1295 CG2 THR X 78 99.107 -1.421 -8.765 1.00 1.00 C ATOM 0 H THR X 78 98.973 0.080 -6.663 1.00 1.00 H new ATOM 0 HA THR X 78 97.718 0.937 -9.091 1.00 1.00 H new ATOM 0 HB THR X 78 97.008 -1.409 -9.238 1.00 1.00 H new ATOM 0 HG1 THR X 78 97.381 -2.778 -7.392 1.00 1.00 H new ATOM 0 HG21 THR X 78 99.216 -2.492 -8.937 1.00 1.00 H new ATOM 0 HG22 THR X 78 99.389 -0.878 -9.667 1.00 1.00 H new ATOM 0 HG23 THR X 78 99.754 -1.118 -7.942 1.00 1.00 H new ATOM 1303 N ALA X 79 95.781 0.601 -6.467 1.00 1.00 N ATOM 1304 CA ALA X 79 94.399 0.874 -5.983 1.00 1.00 C ATOM 1305 C ALA X 79 94.010 2.311 -6.339 1.00 1.00 C ATOM 1306 O ALA X 79 92.902 2.578 -6.759 1.00 1.00 O ATOM 1307 CB ALA X 79 94.344 0.692 -4.465 1.00 1.00 C ATOM 0 H ALA X 79 96.452 0.345 -5.742 1.00 1.00 H new ATOM 0 HA ALA X 79 93.704 0.180 -6.457 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.333 0.892 -4.111 1.00 1.00 H new ATOM 0 HB2 ALA X 79 94.622 -0.331 -4.211 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.038 1.385 -3.990 1.00 1.00 H new ATOM 1313 N PHE X 80 94.914 3.237 -6.173 1.00 1.00 N ATOM 1314 CA PHE X 80 94.595 4.656 -6.496 1.00 1.00 C ATOM 1315 C PHE X 80 94.337 4.789 -7.998 1.00 1.00 C ATOM 1316 O PHE X 80 93.377 5.402 -8.422 1.00 1.00 O ATOM 1317 CB PHE X 80 95.775 5.546 -6.101 1.00 1.00 C ATOM 1318 CG PHE X 80 95.883 5.596 -4.596 1.00 1.00 C ATOM 1319 CD1 PHE X 80 96.473 4.533 -3.901 1.00 1.00 C ATOM 1320 CD2 PHE X 80 95.394 6.704 -3.896 1.00 1.00 C ATOM 1321 CE1 PHE X 80 96.574 4.581 -2.505 1.00 1.00 C ATOM 1322 CE2 PHE X 80 95.495 6.751 -2.500 1.00 1.00 C ATOM 1323 CZ PHE X 80 96.085 5.690 -1.805 1.00 1.00 C ATOM 0 H PHE X 80 95.860 3.072 -5.828 1.00 1.00 H new ATOM 0 HA PHE X 80 93.707 4.965 -5.945 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.698 5.157 -6.530 1.00 1.00 H new ATOM 0 HB3 PHE X 80 95.637 6.551 -6.500 1.00 1.00 H new ATOM 0 HD1 PHE X 80 96.850 3.677 -4.441 1.00 1.00 H new ATOM 0 HD2 PHE X 80 94.938 7.523 -4.432 1.00 1.00 H new ATOM 0 HE1 PHE X 80 97.029 3.762 -1.968 1.00 1.00 H new ATOM 0 HE2 PHE X 80 95.117 7.607 -1.960 1.00 1.00 H new ATOM 0 HZ PHE X 80 96.163 5.727 -0.728 1.00 1.00 H new ATOM 1333 N SER X 81 95.189 4.220 -8.808 1.00 1.00 N ATOM 1334 CA SER X 81 94.992 4.310 -10.281 1.00 1.00 C ATOM 1335 C SER X 81 93.643 3.692 -10.653 1.00 1.00 C ATOM 1336 O SER X 81 92.866 4.269 -11.389 1.00 1.00 O ATOM 1337 CB SER X 81 96.115 3.555 -10.993 1.00 1.00 C ATOM 1338 OG SER X 81 97.352 4.212 -10.747 1.00 1.00 O ATOM 0 H SER X 81 96.013 3.697 -8.512 1.00 1.00 H new ATOM 0 HA SER X 81 95.008 5.356 -10.587 1.00 1.00 H new ATOM 0 HB2 SER X 81 96.160 2.526 -10.637 1.00 1.00 H new ATOM 0 HB3 SER X 81 95.919 3.514 -12.064 1.00 1.00 H new ATOM 0 HG SER X 81 98.074 3.730 -11.201 1.00 1.00 H new ATOM 1344 N TYR X 82 93.357 2.522 -10.150 1.00 1.00 N ATOM 1345 CA TYR X 82 92.055 1.872 -10.470 1.00 1.00 C ATOM 1346 C TYR X 82 90.909 2.738 -9.944 1.00 1.00 C ATOM 1347 O TYR X 82 89.892 2.896 -10.589 1.00 1.00 O ATOM 1348 CB TYR X 82 92.000 0.490 -9.812 1.00 1.00 C ATOM 1349 CG TYR X 82 92.467 -0.559 -10.792 1.00 1.00 C ATOM 1350 CD1 TYR X 82 91.753 -0.776 -11.976 1.00 1.00 C ATOM 1351 CD2 TYR X 82 93.614 -1.314 -10.517 1.00 1.00 C ATOM 1352 CE1 TYR X 82 92.186 -1.748 -12.887 1.00 1.00 C ATOM 1353 CE2 TYR X 82 94.047 -2.286 -11.429 1.00 1.00 C ATOM 1354 CZ TYR X 82 93.332 -2.503 -12.613 1.00 1.00 C ATOM 1355 OH TYR X 82 93.758 -3.460 -13.511 1.00 1.00 O ATOM 0 H TYR X 82 93.968 1.989 -9.532 1.00 1.00 H new ATOM 0 HA TYR X 82 91.958 1.763 -11.550 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.629 0.475 -8.922 1.00 1.00 H new ATOM 0 HB3 TYR X 82 90.983 0.271 -9.488 1.00 1.00 H new ATOM 0 HD1 TYR X 82 90.868 -0.194 -12.187 1.00 1.00 H new ATOM 0 HD2 TYR X 82 94.164 -1.147 -9.603 1.00 1.00 H new ATOM 0 HE1 TYR X 82 91.635 -1.915 -13.801 1.00 1.00 H new ATOM 0 HE2 TYR X 82 94.932 -2.868 -11.218 1.00 1.00 H new ATOM 0 HH TYR X 82 93.771 -4.337 -13.073 1.00 1.00 H new ATOM 1365 N TRP X 83 91.063 3.300 -8.777 1.00 1.00 N ATOM 1366 CA TRP X 83 89.980 4.151 -8.211 1.00 1.00 C ATOM 1367 C TRP X 83 89.821 5.409 -9.067 1.00 1.00 C ATOM 1368 O TRP X 83 88.729 5.901 -9.268 1.00 1.00 O ATOM 1369 CB TRP X 83 90.340 4.551 -6.779 1.00 1.00 C ATOM 1370 CG TRP X 83 89.088 4.731 -5.981 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.421 5.898 -5.836 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.343 3.736 -5.222 1.00 1.00 C ATOM 1373 NE1 TRP X 83 87.313 5.683 -5.035 1.00 1.00 N ATOM 1374 CE2 TRP X 83 87.222 4.366 -4.632 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.529 2.361 -4.989 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.318 3.658 -3.839 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.621 1.645 -4.192 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.518 2.293 -3.618 1.00 1.00 C ATOM 0 H TRP X 83 91.893 3.206 -8.191 1.00 1.00 H new ATOM 0 HA TRP X 83 89.044 3.593 -8.207 1.00 1.00 H new ATOM 0 HB2 TRP X 83 90.967 3.785 -6.323 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.917 5.475 -6.783 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.706 6.843 -6.274 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.645 6.409 -4.774 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.376 1.853 -5.426 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.470 4.162 -3.399 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 87.773 0.590 -4.020 1.00 1.00 H new ATOM 0 HH2 TRP X 83 85.823 1.737 -3.005 1.00 1.00 H new ATOM 1389 N ASN X 84 90.903 5.929 -9.576 1.00 1.00 N ATOM 1390 CA ASN X 84 90.816 7.149 -10.427 1.00 1.00 C ATOM 1391 C ASN X 84 89.862 6.882 -11.593 1.00 1.00 C ATOM 1392 O ASN X 84 89.023 7.698 -11.921 1.00 1.00 O ATOM 1393 CB ASN X 84 92.203 7.497 -10.967 1.00 1.00 C ATOM 1394 CG ASN X 84 93.052 8.102 -9.848 1.00 1.00 C ATOM 1395 OD1 ASN X 84 92.526 8.636 -8.891 1.00 1.00 O ATOM 1396 ND2 ASN X 84 94.354 8.041 -9.926 1.00 1.00 N ATOM 0 H ASN X 84 91.845 5.562 -9.439 1.00 1.00 H new ATOM 0 HA ASN X 84 90.443 7.984 -9.834 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.686 6.603 -11.361 1.00 1.00 H new ATOM 0 HB3 ASN X 84 92.116 8.202 -11.793 1.00 1.00 H new ATOM 0 HD21 ASN X 84 94.929 8.441 -9.184 1.00 1.00 H new ATOM 0 HD22 ASN X 84 94.796 7.593 -10.729 1.00 1.00 H new ATOM 1403 N LEU X 85 89.985 5.745 -12.221 1.00 1.00 N ATOM 1404 CA LEU X 85 89.071 5.411 -13.349 1.00 1.00 C ATOM 1405 C LEU X 85 87.632 5.327 -12.837 1.00 1.00 C ATOM 1406 O LEU X 85 86.705 5.769 -13.487 1.00 1.00 O ATOM 1407 CB LEU X 85 89.478 4.065 -13.953 1.00 1.00 C ATOM 1408 CG LEU X 85 90.824 4.210 -14.664 1.00 1.00 C ATOM 1409 CD1 LEU X 85 91.305 2.835 -15.134 1.00 1.00 C ATOM 1410 CD2 LEU X 85 90.662 5.133 -15.874 1.00 1.00 C ATOM 0 H LEU X 85 90.680 5.032 -12.001 1.00 1.00 H new ATOM 0 HA LEU X 85 89.138 6.187 -14.111 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.548 3.310 -13.170 1.00 1.00 H new ATOM 0 HB3 LEU X 85 88.718 3.726 -14.657 1.00 1.00 H new ATOM 0 HG LEU X 85 91.555 4.634 -13.976 1.00 1.00 H new ATOM 0 HD11 LEU X 85 92.264 2.939 -15.641 1.00 1.00 H new ATOM 0 HD12 LEU X 85 91.419 2.176 -14.274 1.00 1.00 H new ATOM 0 HD13 LEU X 85 90.575 2.410 -15.823 1.00 1.00 H new ATOM 0 HD21 LEU X 85 91.620 5.238 -16.382 1.00 1.00 H new ATOM 0 HD22 LEU X 85 89.931 4.707 -16.561 1.00 1.00 H new ATOM 0 HD23 LEU X 85 90.319 6.113 -15.541 1.00 1.00 H new ATOM 1422 N ILE X 86 87.438 4.766 -11.675 1.00 1.00 N ATOM 1423 CA ILE X 86 86.060 4.660 -11.120 1.00 1.00 C ATOM 1424 C ILE X 86 85.526 6.061 -10.819 1.00 1.00 C ATOM 1425 O ILE X 86 84.389 6.378 -11.106 1.00 1.00 O ATOM 1426 CB ILE X 86 86.090 3.839 -9.830 1.00 1.00 C ATOM 1427 CG1 ILE X 86 86.150 2.348 -10.176 1.00 1.00 C ATOM 1428 CG2 ILE X 86 84.828 4.121 -9.015 1.00 1.00 C ATOM 1429 CD1 ILE X 86 84.730 1.812 -10.368 1.00 1.00 C ATOM 0 H ILE X 86 88.174 4.377 -11.086 1.00 1.00 H new ATOM 0 HA ILE X 86 85.412 4.170 -11.846 1.00 1.00 H new ATOM 0 HB ILE X 86 86.968 4.114 -9.246 1.00 1.00 H new ATOM 0 HG12 ILE X 86 86.733 2.198 -11.085 1.00 1.00 H new ATOM 0 HG13 ILE X 86 86.653 1.799 -9.380 1.00 1.00 H new ATOM 0 HG21 ILE X 86 84.850 3.536 -8.096 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.784 5.182 -8.769 1.00 1.00 H new ATOM 0 HG23 ILE X 86 83.949 3.847 -9.599 1.00 1.00 H new ATOM 0 HD11 ILE X 86 84.772 0.751 -10.614 1.00 1.00 H new ATOM 0 HD12 ILE X 86 84.162 1.949 -9.448 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.243 2.354 -11.179 1.00 1.00 H new ATOM 1441 N LYS X 87 86.338 6.903 -10.241 1.00 1.00 N ATOM 1442 CA LYS X 87 85.875 8.281 -9.913 1.00 1.00 C ATOM 1443 C LYS X 87 85.392 8.973 -11.189 1.00 1.00 C ATOM 1444 O LYS X 87 84.370 9.631 -11.201 1.00 1.00 O ATOM 1445 CB LYS X 87 87.033 9.076 -9.307 1.00 1.00 C ATOM 1446 CG LYS X 87 86.544 10.473 -8.916 1.00 1.00 C ATOM 1447 CD LYS X 87 87.702 11.268 -8.310 1.00 1.00 C ATOM 1448 CE LYS X 87 87.212 12.662 -7.918 1.00 1.00 C ATOM 1449 NZ LYS X 87 88.341 13.438 -7.328 1.00 1.00 N ATOM 0 H LYS X 87 87.303 6.696 -9.982 1.00 1.00 H new ATOM 0 HA LYS X 87 85.056 8.229 -9.196 1.00 1.00 H new ATOM 0 HB2 LYS X 87 87.425 8.558 -8.432 1.00 1.00 H new ATOM 0 HB3 LYS X 87 87.850 9.153 -10.024 1.00 1.00 H new ATOM 0 HG2 LYS X 87 86.152 10.991 -9.791 1.00 1.00 H new ATOM 0 HG3 LYS X 87 85.727 10.396 -8.199 1.00 1.00 H new ATOM 0 HD2 LYS X 87 88.095 10.750 -7.435 1.00 1.00 H new ATOM 0 HD3 LYS X 87 88.519 11.346 -9.028 1.00 1.00 H new ATOM 0 HE2 LYS X 87 86.818 13.180 -8.793 1.00 1.00 H new ATOM 0 HE3 LYS X 87 86.396 12.584 -7.200 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 88.008 14.386 -7.061 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 88.697 12.946 -6.484 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 89.106 13.524 -8.027 1.00 1.00 H new ATOM 1463 N GLU X 88 86.118 8.831 -12.264 1.00 1.00 N ATOM 1464 CA GLU X 88 85.700 9.486 -13.536 1.00 1.00 C ATOM 1465 C GLU X 88 84.441 8.800 -14.070 1.00 1.00 C ATOM 1466 O GLU X 88 83.572 9.431 -14.639 1.00 1.00 O ATOM 1467 CB GLU X 88 86.824 9.364 -14.568 1.00 1.00 C ATOM 1468 CG GLU X 88 88.007 10.236 -14.141 1.00 1.00 C ATOM 1469 CD GLU X 88 89.141 10.092 -15.159 1.00 1.00 C ATOM 1470 OE1 GLU X 88 88.933 9.421 -16.156 1.00 1.00 O ATOM 1471 OE2 GLU X 88 90.198 10.654 -14.922 1.00 1.00 O ATOM 0 H GLU X 88 86.981 8.291 -12.317 1.00 1.00 H new ATOM 0 HA GLU X 88 85.491 10.540 -13.351 1.00 1.00 H new ATOM 0 HB2 GLU X 88 87.139 8.324 -14.657 1.00 1.00 H new ATOM 0 HB3 GLU X 88 86.466 9.674 -15.550 1.00 1.00 H new ATOM 0 HG2 GLU X 88 87.697 11.279 -14.071 1.00 1.00 H new ATOM 0 HG3 GLU X 88 88.353 9.939 -13.151 1.00 1.00 H new ATOM 1478 N LEU X 89 84.334 7.512 -13.888 1.00 1.00 N ATOM 1479 CA LEU X 89 83.141 6.784 -14.404 1.00 1.00 C ATOM 1480 C LEU X 89 81.894 7.263 -13.660 1.00 1.00 C ATOM 1481 O LEU X 89 80.881 7.570 -14.258 1.00 1.00 O ATOM 1482 CB LEU X 89 83.324 5.282 -14.180 1.00 1.00 C ATOM 1483 CG LEU X 89 82.108 4.531 -14.725 1.00 1.00 C ATOM 1484 CD1 LEU X 89 81.995 4.764 -16.233 1.00 1.00 C ATOM 1485 CD2 LEU X 89 82.270 3.034 -14.453 1.00 1.00 C ATOM 0 H LEU X 89 85.021 6.933 -13.405 1.00 1.00 H new ATOM 0 HA LEU X 89 83.027 6.980 -15.470 1.00 1.00 H new ATOM 0 HB2 LEU X 89 84.230 4.937 -14.678 1.00 1.00 H new ATOM 0 HB3 LEU X 89 83.446 5.075 -13.117 1.00 1.00 H new ATOM 0 HG LEU X 89 81.207 4.896 -14.233 1.00 1.00 H new ATOM 0 HD11 LEU X 89 81.128 4.228 -16.620 1.00 1.00 H new ATOM 0 HD12 LEU X 89 81.880 5.830 -16.429 1.00 1.00 H new ATOM 0 HD13 LEU X 89 82.896 4.400 -16.726 1.00 1.00 H new ATOM 0 HD21 LEU X 89 81.404 2.498 -14.841 1.00 1.00 H new ATOM 0 HD22 LEU X 89 83.172 2.670 -14.945 1.00 1.00 H new ATOM 0 HD23 LEU X 89 82.350 2.866 -13.379 1.00 1.00 H new ATOM 1497 N ILE X 90 81.959 7.329 -12.359 1.00 1.00 N ATOM 1498 CA ILE X 90 80.768 7.764 -11.575 1.00 1.00 C ATOM 1499 C ILE X 90 80.583 9.275 -11.728 1.00 1.00 C ATOM 1500 O ILE X 90 79.478 9.766 -11.840 1.00 1.00 O ATOM 1501 CB ILE X 90 80.979 7.422 -10.098 1.00 1.00 C ATOM 1502 CG1 ILE X 90 82.207 8.166 -9.573 1.00 1.00 C ATOM 1503 CG2 ILE X 90 81.195 5.915 -9.949 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.621 7.578 -8.223 1.00 1.00 C ATOM 0 H ILE X 90 82.784 7.101 -11.805 1.00 1.00 H new ATOM 0 HA ILE X 90 79.880 7.250 -11.944 1.00 1.00 H new ATOM 0 HB ILE X 90 80.100 7.722 -9.527 1.00 1.00 H new ATOM 0 HG12 ILE X 90 83.028 8.083 -10.285 1.00 1.00 H new ATOM 0 HG13 ILE X 90 81.984 9.228 -9.466 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.345 5.671 -8.897 1.00 1.00 H new ATOM 0 HG22 ILE X 90 80.320 5.383 -10.323 1.00 1.00 H new ATOM 0 HG23 ILE X 90 82.074 5.615 -10.520 1.00 1.00 H new ATOM 0 HD11 ILE X 90 83.497 8.108 -7.848 1.00 1.00 H new ATOM 0 HD12 ILE X 90 81.801 7.684 -7.513 1.00 1.00 H new ATOM 0 HD13 ILE X 90 82.861 6.522 -8.344 1.00 1.00 H new ATOM 1516 N ASP X 91 81.656 10.017 -11.731 1.00 1.00 N ATOM 1517 CA ASP X 91 81.540 11.496 -11.867 1.00 1.00 C ATOM 1518 C ASP X 91 80.840 11.835 -13.185 1.00 1.00 C ATOM 1519 O ASP X 91 79.941 12.650 -13.230 1.00 1.00 O ATOM 1520 CB ASP X 91 82.938 12.122 -11.856 1.00 1.00 C ATOM 1521 CG ASP X 91 83.401 12.314 -10.411 1.00 1.00 C ATOM 1522 OD1 ASP X 91 82.623 12.020 -9.517 1.00 1.00 O ATOM 1523 OD2 ASP X 91 84.523 12.753 -10.223 1.00 1.00 O ATOM 0 H ASP X 91 82.609 9.663 -11.645 1.00 1.00 H new ATOM 0 HA ASP X 91 80.958 11.892 -11.035 1.00 1.00 H new ATOM 0 HB2 ASP X 91 83.639 11.481 -12.391 1.00 1.00 H new ATOM 0 HB3 ASP X 91 82.923 13.081 -12.374 1.00 1.00 H new ATOM 1528 N LYS X 92 81.244 11.213 -14.259 1.00 1.00 N ATOM 1529 CA LYS X 92 80.598 11.496 -15.573 1.00 1.00 C ATOM 1530 C LYS X 92 79.135 11.047 -15.530 1.00 1.00 C ATOM 1531 O LYS X 92 78.254 11.723 -16.024 1.00 1.00 O ATOM 1532 CB LYS X 92 81.335 10.734 -16.677 1.00 1.00 C ATOM 1533 CG LYS X 92 82.720 11.350 -16.887 1.00 1.00 C ATOM 1534 CD LYS X 92 83.476 10.554 -17.954 1.00 1.00 C ATOM 1535 CE LYS X 92 84.863 11.166 -18.158 1.00 1.00 C ATOM 1536 NZ LYS X 92 85.606 10.378 -19.183 1.00 1.00 N ATOM 0 H LYS X 92 81.993 10.521 -14.284 1.00 1.00 H new ATOM 0 HA LYS X 92 80.643 12.566 -15.778 1.00 1.00 H new ATOM 0 HB2 LYS X 92 81.431 9.683 -16.406 1.00 1.00 H new ATOM 0 HB3 LYS X 92 80.764 10.774 -17.604 1.00 1.00 H new ATOM 0 HG2 LYS X 92 82.624 12.391 -17.195 1.00 1.00 H new ATOM 0 HG3 LYS X 92 83.278 11.345 -15.951 1.00 1.00 H new ATOM 0 HD2 LYS X 92 83.568 9.512 -17.649 1.00 1.00 H new ATOM 0 HD3 LYS X 92 82.921 10.564 -18.892 1.00 1.00 H new ATOM 0 HE2 LYS X 92 84.771 12.204 -18.478 1.00 1.00 H new ATOM 0 HE3 LYS X 92 85.413 11.170 -17.217 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 86.549 10.793 -19.323 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 85.705 9.394 -18.860 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 85.083 10.397 -20.082 1.00 1.00 H new ATOM 1550 N LYS X 93 78.870 9.909 -14.948 1.00 1.00 N ATOM 1551 CA LYS X 93 77.464 9.421 -14.869 1.00 1.00 C ATOM 1552 C LYS X 93 76.671 10.303 -13.901 1.00 1.00 C ATOM 1553 O LYS X 93 77.023 10.445 -12.746 1.00 1.00 O ATOM 1554 CB LYS X 93 77.452 7.975 -14.370 1.00 1.00 C ATOM 1555 CG LYS X 93 76.021 7.434 -14.404 1.00 1.00 C ATOM 1556 CD LYS X 93 76.020 5.966 -13.977 1.00 1.00 C ATOM 1557 CE LYS X 93 74.596 5.414 -14.049 1.00 1.00 C ATOM 1558 NZ LYS X 93 74.260 5.089 -15.465 1.00 1.00 N ATOM 0 H LYS X 93 79.566 9.296 -14.524 1.00 1.00 H new ATOM 0 HA LYS X 93 77.008 9.467 -15.858 1.00 1.00 H new ATOM 0 HB2 LYS X 93 78.100 7.359 -14.994 1.00 1.00 H new ATOM 0 HB3 LYS X 93 77.846 7.926 -13.355 1.00 1.00 H new ATOM 0 HG2 LYS X 93 75.384 8.018 -13.739 1.00 1.00 H new ATOM 0 HG3 LYS X 93 75.608 7.532 -15.408 1.00 1.00 H new ATOM 0 HD2 LYS X 93 76.679 5.388 -14.625 1.00 1.00 H new ATOM 0 HD3 LYS X 93 76.407 5.871 -12.962 1.00 1.00 H new ATOM 0 HE2 LYS X 93 74.509 4.522 -13.429 1.00 1.00 H new ATOM 0 HE3 LYS X 93 73.891 6.146 -13.655 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 73.277 5.368 -15.661 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 74.900 5.606 -16.101 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 74.368 4.066 -15.621 1.00 1.00 H new ATOM 1572 N GLU X 94 75.604 10.895 -14.361 1.00 1.00 N ATOM 1573 CA GLU X 94 74.792 11.769 -13.468 1.00 1.00 C ATOM 1574 C GLU X 94 73.812 10.911 -12.664 1.00 1.00 C ATOM 1575 O GLU X 94 72.793 10.481 -13.166 1.00 1.00 O ATOM 1576 CB GLU X 94 74.012 12.776 -14.316 1.00 1.00 C ATOM 1577 CG GLU X 94 74.979 13.795 -14.919 1.00 1.00 C ATOM 1578 CD GLU X 94 74.210 14.755 -15.829 1.00 1.00 C ATOM 1579 OE1 GLU X 94 73.019 14.552 -16.000 1.00 1.00 O ATOM 1580 OE2 GLU X 94 74.825 15.676 -16.340 1.00 1.00 O ATOM 0 H GLU X 94 75.259 10.811 -15.317 1.00 1.00 H new ATOM 0 HA GLU X 94 75.452 12.302 -12.783 1.00 1.00 H new ATOM 0 HB2 GLU X 94 73.472 12.258 -15.109 1.00 1.00 H new ATOM 0 HB3 GLU X 94 73.268 13.284 -13.703 1.00 1.00 H new ATOM 0 HG2 GLU X 94 75.479 14.351 -14.126 1.00 1.00 H new ATOM 0 HG3 GLU X 94 75.756 13.283 -15.487 1.00 1.00 H new ATOM 1587 N VAL X 95 74.112 10.659 -11.419 1.00 1.00 N ATOM 1588 CA VAL X 95 73.196 9.832 -10.584 1.00 1.00 C ATOM 1589 C VAL X 95 73.046 10.470 -9.201 1.00 1.00 C ATOM 1590 O VAL X 95 73.896 11.213 -8.754 1.00 1.00 O ATOM 1591 CB VAL X 95 73.778 8.425 -10.436 1.00 1.00 C ATOM 1592 CG1 VAL X 95 75.122 8.502 -9.710 1.00 1.00 C ATOM 1593 CG2 VAL X 95 72.811 7.559 -9.625 1.00 1.00 C ATOM 0 H VAL X 95 74.952 10.990 -10.944 1.00 1.00 H new ATOM 0 HA VAL X 95 72.219 9.775 -11.063 1.00 1.00 H new ATOM 0 HB VAL X 95 73.923 7.985 -11.423 1.00 1.00 H new ATOM 0 HG11 VAL X 95 75.537 7.499 -9.605 1.00 1.00 H new ATOM 0 HG12 VAL X 95 75.811 9.121 -10.285 1.00 1.00 H new ATOM 0 HG13 VAL X 95 74.978 8.941 -8.723 1.00 1.00 H new ATOM 0 HG21 VAL X 95 73.223 6.556 -9.518 1.00 1.00 H new ATOM 0 HG22 VAL X 95 72.668 8.000 -8.638 1.00 1.00 H new ATOM 0 HG23 VAL X 95 71.852 7.504 -10.140 1.00 1.00 H new ATOM 1603 N ASN X 96 71.970 10.186 -8.520 1.00 1.00 N ATOM 1604 CA ASN X 96 71.761 10.784 -7.171 1.00 1.00 C ATOM 1605 C ASN X 96 71.445 9.677 -6.163 1.00 1.00 C ATOM 1606 O ASN X 96 70.302 9.442 -5.823 1.00 1.00 O ATOM 1607 CB ASN X 96 70.596 11.773 -7.224 1.00 1.00 C ATOM 1608 CG ASN X 96 70.312 12.305 -5.819 1.00 1.00 C ATOM 1609 OD1 ASN X 96 70.952 11.909 -4.865 1.00 1.00 O ATOM 1610 ND2 ASN X 96 69.370 13.194 -5.648 1.00 1.00 N ATOM 0 H ASN X 96 71.226 9.565 -8.839 1.00 1.00 H new ATOM 0 HA ASN X 96 72.667 11.307 -6.864 1.00 1.00 H new ATOM 0 HB2 ASN X 96 70.836 12.598 -7.895 1.00 1.00 H new ATOM 0 HB3 ASN X 96 69.708 11.284 -7.625 1.00 1.00 H new ATOM 0 HD21 ASN X 96 69.173 13.555 -4.715 1.00 1.00 H new ATOM 0 HD22 ASN X 96 68.832 13.527 -6.448 1.00 1.00 H new ATOM 1617 N PRO X 97 72.457 9.000 -5.691 1.00 1.00 N ATOM 1618 CA PRO X 97 72.300 7.883 -4.718 1.00 1.00 C ATOM 1619 C PRO X 97 71.524 8.307 -3.467 1.00 1.00 C ATOM 1620 O PRO X 97 70.672 7.590 -2.981 1.00 1.00 O ATOM 1621 CB PRO X 97 73.739 7.517 -4.355 1.00 1.00 C ATOM 1622 CG PRO X 97 74.571 8.000 -5.497 1.00 1.00 C ATOM 1623 CD PRO X 97 73.868 9.231 -6.038 1.00 1.00 C ATOM 0 HA PRO X 97 71.731 7.054 -5.140 1.00 1.00 H new ATOM 0 HB2 PRO X 97 74.041 7.991 -3.421 1.00 1.00 H new ATOM 0 HB3 PRO X 97 73.848 6.441 -4.217 1.00 1.00 H new ATOM 0 HG2 PRO X 97 75.582 8.241 -5.168 1.00 1.00 H new ATOM 0 HG3 PRO X 97 74.661 7.233 -6.266 1.00 1.00 H new ATOM 0 HD2 PRO X 97 74.249 10.144 -5.581 1.00 1.00 H new ATOM 0 HD3 PRO X 97 74.006 9.331 -7.115 1.00 1.00 H new ATOM 1631 N GLN X 98 71.813 9.466 -2.942 1.00 1.00 N ATOM 1632 CA GLN X 98 71.085 9.936 -1.729 1.00 1.00 C ATOM 1633 C GLN X 98 70.883 11.451 -1.812 1.00 1.00 C ATOM 1634 O GLN X 98 69.779 11.931 -1.976 1.00 1.00 O ATOM 1635 CB GLN X 98 71.903 9.597 -0.480 1.00 1.00 C ATOM 1636 CG GLN X 98 71.857 8.088 -0.231 1.00 1.00 C ATOM 1637 CD GLN X 98 72.690 7.747 1.006 1.00 1.00 C ATOM 1638 OE1 GLN X 98 73.184 8.628 1.681 1.00 1.00 O ATOM 1639 NE2 GLN X 98 72.867 6.496 1.334 1.00 1.00 N ATOM 0 H GLN X 98 72.521 10.107 -3.300 1.00 1.00 H new ATOM 0 HA GLN X 98 70.115 9.442 -1.672 1.00 1.00 H new ATOM 0 HB2 GLN X 98 72.935 9.923 -0.609 1.00 1.00 H new ATOM 0 HB3 GLN X 98 71.506 10.131 0.383 1.00 1.00 H new ATOM 0 HG2 GLN X 98 70.826 7.764 -0.088 1.00 1.00 H new ATOM 0 HG3 GLN X 98 72.242 7.554 -1.100 1.00 1.00 H new ATOM 0 HE21 GLN X 98 72.452 5.757 0.767 1.00 1.00 H new ATOM 0 HE22 GLN X 98 73.420 6.258 2.157 1.00 1.00 H new ATOM 1648 N VAL X 99 71.941 12.207 -1.700 1.00 1.00 N ATOM 1649 CA VAL X 99 71.811 13.689 -1.784 1.00 1.00 C ATOM 1650 C VAL X 99 72.817 14.232 -2.801 1.00 1.00 C ATOM 1651 O VAL X 99 73.998 14.326 -2.531 1.00 1.00 O ATOM 1652 CB VAL X 99 72.090 14.305 -0.411 1.00 1.00 C ATOM 1653 CG1 VAL X 99 71.887 15.819 -0.479 1.00 1.00 C ATOM 1654 CG2 VAL X 99 71.128 13.708 0.619 1.00 1.00 C ATOM 0 H VAL X 99 72.890 11.862 -1.554 1.00 1.00 H new ATOM 0 HA VAL X 99 70.800 13.948 -2.099 1.00 1.00 H new ATOM 0 HB VAL X 99 73.118 14.090 -0.118 1.00 1.00 H new ATOM 0 HG11 VAL X 99 72.086 16.257 0.499 1.00 1.00 H new ATOM 0 HG12 VAL X 99 72.571 16.245 -1.213 1.00 1.00 H new ATOM 0 HG13 VAL X 99 70.860 16.036 -0.771 1.00 1.00 H new ATOM 0 HG21 VAL X 99 71.325 14.146 1.598 1.00 1.00 H new ATOM 0 HG22 VAL X 99 70.101 13.924 0.325 1.00 1.00 H new ATOM 0 HG23 VAL X 99 71.272 12.629 0.669 1.00 1.00 H new ATOM 1664 N MET X 100 72.359 14.593 -3.968 1.00 1.00 N ATOM 1665 CA MET X 100 73.289 15.134 -4.998 1.00 1.00 C ATOM 1666 C MET X 100 74.508 14.216 -5.115 1.00 1.00 C ATOM 1667 O MET X 100 75.607 14.735 -5.222 1.00 1.00 O ATOM 1668 CB MET X 100 73.745 16.536 -4.587 1.00 1.00 C ATOM 1669 CG MET X 100 72.533 17.466 -4.518 1.00 1.00 C ATOM 1670 SD MET X 100 71.824 17.658 -6.172 1.00 1.00 S ATOM 1671 CE MET X 100 73.148 18.677 -6.869 1.00 1.00 C ATOM 1672 OXT MET X 100 74.321 13.011 -5.098 1.00 1.00 O ATOM 0 H MET X 100 71.381 14.537 -4.253 1.00 1.00 H new ATOM 0 HA MET X 100 72.778 15.185 -5.959 1.00 1.00 H new ATOM 0 HB2 MET X 100 74.244 16.499 -3.619 1.00 1.00 H new ATOM 0 HB3 MET X 100 74.471 16.919 -5.305 1.00 1.00 H new ATOM 0 HG2 MET X 100 71.787 17.058 -3.836 1.00 1.00 H new ATOM 0 HG3 MET X 100 72.829 18.438 -4.123 1.00 1.00 H new ATOM 0 HE1 MET X 100 72.730 19.363 -7.606 1.00 1.00 H new ATOM 0 HE2 MET X 100 73.626 19.247 -6.072 1.00 1.00 H new ATOM 0 HE3 MET X 100 73.887 18.035 -7.349 1.00 1.00 H new TER 1682 MET X 100