USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 861 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 ASN : amide:sc= -1.39 X(o=-1.1,f=-1.4!) USER MOD Set 1.2: A 11 SER OG : rot 180:sc= 0.335 USER MOD Single : A 1 LEU N :NH3+ -125:sc= 0.667 (180deg=-1.56) USER MOD Single : A 5 LYS NZ :NH3+ -173:sc=-0.000965 (180deg=-0.0619) USER MOD Single : A 6 SER OG : rot -102:sc= 0.203 USER MOD Single : A 7 MET CE :methyl 171:sc= 0 (180deg=-0.1) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 146:sc= -0.963! (180deg=-3.13!) USER MOD Single : A 20 GLN : amide:sc= -0.555 X(o=-0.56,f=-0.84) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= 0.129 K(o=0.13,f=-1) USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= 0.471 (180deg=-0.251) USER MOD Single : A 39 ASN : amide:sc= 0.2 X(o=0.2,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.488 USER MOD Single : A 50 SER OG : rot 33:sc= 0.181 USER MOD Single : A 51 ASN : amide:sc= -0.766 K(o=-0.77,f=0.12) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 63 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.54) USER MOD Single : A 78 SER OG : rot -18:sc= 0.0341 USER MOD Single : A 80 THR OG1 : rot -37:sc= 0.814 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 172:sc= 0.807 (180deg=0.757) USER MOD Single : A 101 TYR OH : rot 89:sc= 0.0211 USER MOD Single : A 102 THR OG1 : rot -100:sc= 1.44 USER MOD Single : A 106 GLN : amide:sc= -0.0594 X(o=-0.059,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 20.119 13.434 -7.282 1.00 0.00 N ATOM 2 CA LEU A 1 19.907 14.557 -8.219 1.00 0.00 C ATOM 3 C LEU A 1 19.625 13.994 -9.626 1.00 0.00 C ATOM 4 O LEU A 1 20.481 13.320 -10.200 1.00 0.00 O ATOM 5 CB LEU A 1 21.124 15.534 -8.213 1.00 0.00 C ATOM 6 CG LEU A 1 21.121 16.627 -7.087 1.00 0.00 C ATOM 7 CD1 LEU A 1 21.012 16.014 -5.671 1.00 0.00 C ATOM 8 CD2 LEU A 1 22.358 17.544 -7.206 1.00 0.00 C ATOM 0 H1 LEU A 1 19.463 13.523 -6.480 1.00 0.00 H new ATOM 0 H2 LEU A 1 19.945 12.534 -7.773 1.00 0.00 H new ATOM 0 H3 LEU A 1 21.098 13.454 -6.933 1.00 0.00 H new ATOM 0 HA LEU A 1 19.043 15.139 -7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 1 22.037 14.946 -8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 1 21.167 16.036 -9.180 1.00 0.00 H new ATOM 0 HG LEU A 1 20.228 17.235 -7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 1 21.014 16.812 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 1 20.085 15.446 -5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 1 21.860 15.352 -5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 1 22.333 18.293 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 1 23.265 16.946 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 1 22.351 18.041 -8.176 1.00 0.00 H new ATOM 22 N ALA A 2 18.379 14.223 -10.109 1.00 0.00 N ATOM 23 CA ALA A 2 17.874 13.811 -11.446 1.00 0.00 C ATOM 24 C ALA A 2 17.505 12.314 -11.522 1.00 0.00 C ATOM 25 O ALA A 2 16.683 11.922 -12.355 1.00 0.00 O ATOM 26 CB ALA A 2 18.837 14.205 -12.589 1.00 0.00 C ATOM 0 H ALA A 2 17.673 14.716 -9.562 1.00 0.00 H new ATOM 0 HA ALA A 2 16.949 14.371 -11.587 1.00 0.00 H new ATOM 0 HB1 ALA A 2 18.421 13.881 -13.543 1.00 0.00 H new ATOM 0 HB2 ALA A 2 18.967 15.287 -12.598 1.00 0.00 H new ATOM 0 HB3 ALA A 2 19.803 13.725 -12.433 1.00 0.00 H new ATOM 32 N GLY A 3 18.118 11.480 -10.657 1.00 0.00 N ATOM 33 CA GLY A 3 17.890 10.030 -10.641 1.00 0.00 C ATOM 34 C GLY A 3 18.536 9.293 -11.811 1.00 0.00 C ATOM 35 O GLY A 3 18.398 8.073 -11.914 1.00 0.00 O ATOM 0 H GLY A 3 18.784 11.798 -9.952 1.00 0.00 H new ATOM 0 HA2 GLY A 3 18.277 9.621 -9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 3 16.817 9.840 -10.652 1.00 0.00 H new ATOM 39 N GLY A 4 19.250 10.041 -12.686 1.00 0.00 N ATOM 40 CA GLY A 4 19.817 9.506 -13.923 1.00 0.00 C ATOM 41 C GLY A 4 18.789 9.403 -15.047 1.00 0.00 C ATOM 42 O GLY A 4 18.963 9.981 -16.123 1.00 0.00 O ATOM 0 H GLY A 4 19.443 11.032 -12.543 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.640 10.144 -14.246 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.236 8.519 -13.728 1.00 0.00 H new ATOM 46 N LYS A 5 17.705 8.664 -14.772 1.00 0.00 N ATOM 47 CA LYS A 5 16.650 8.353 -15.751 1.00 0.00 C ATOM 48 C LYS A 5 15.321 8.086 -15.014 1.00 0.00 C ATOM 49 O LYS A 5 15.210 8.380 -13.816 1.00 0.00 O ATOM 50 CB LYS A 5 17.074 7.117 -16.629 1.00 0.00 C ATOM 51 CG LYS A 5 17.067 5.725 -15.927 1.00 0.00 C ATOM 52 CD LYS A 5 18.121 5.564 -14.800 1.00 0.00 C ATOM 53 CE LYS A 5 19.573 5.646 -15.303 1.00 0.00 C ATOM 54 NZ LYS A 5 19.881 4.603 -16.311 1.00 0.00 N ATOM 0 H LYS A 5 17.533 8.259 -13.852 1.00 0.00 H new ATOM 0 HA LYS A 5 16.508 9.204 -16.417 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.408 7.067 -17.491 1.00 0.00 H new ATOM 0 HB3 LYS A 5 18.078 7.300 -17.012 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.076 5.549 -15.508 1.00 0.00 H new ATOM 0 HG3 LYS A 5 17.237 4.953 -16.678 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.960 6.338 -14.050 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.969 4.604 -14.306 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.749 6.630 -15.737 1.00 0.00 H new ATOM 0 HE3 LYS A 5 20.254 5.543 -14.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.897 4.623 -16.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 19.627 3.668 -15.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.335 4.786 -17.177 1.00 0.00 H new ATOM 68 N SER A 6 14.319 7.573 -15.765 1.00 0.00 N ATOM 69 CA SER A 6 13.050 7.043 -15.215 1.00 0.00 C ATOM 70 C SER A 6 12.143 8.175 -14.669 1.00 0.00 C ATOM 71 O SER A 6 12.411 9.364 -14.896 1.00 0.00 O ATOM 72 CB SER A 6 13.355 5.936 -14.148 1.00 0.00 C ATOM 73 OG SER A 6 12.189 5.262 -13.689 1.00 0.00 O ATOM 0 H SER A 6 14.370 7.515 -16.782 1.00 0.00 H new ATOM 0 HA SER A 6 12.482 6.578 -16.021 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.043 5.207 -14.577 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.862 6.391 -13.297 1.00 0.00 H new ATOM 0 HG SER A 6 11.937 5.608 -12.807 1.00 0.00 H new ATOM 79 N MET A 7 11.041 7.778 -14.010 1.00 0.00 N ATOM 80 CA MET A 7 10.069 8.694 -13.390 1.00 0.00 C ATOM 81 C MET A 7 10.761 9.597 -12.341 1.00 0.00 C ATOM 82 O MET A 7 10.827 10.816 -12.506 1.00 0.00 O ATOM 83 CB MET A 7 8.922 7.841 -12.761 1.00 0.00 C ATOM 84 CG MET A 7 7.709 8.640 -12.264 1.00 0.00 C ATOM 85 SD MET A 7 6.424 7.603 -11.520 1.00 0.00 S ATOM 86 CE MET A 7 7.200 7.065 -9.992 1.00 0.00 C ATOM 0 H MET A 7 10.797 6.795 -13.891 1.00 0.00 H new ATOM 0 HA MET A 7 9.644 9.360 -14.141 1.00 0.00 H new ATOM 0 HB2 MET A 7 8.581 7.117 -13.502 1.00 0.00 H new ATOM 0 HB3 MET A 7 9.330 7.273 -11.925 1.00 0.00 H new ATOM 0 HG2 MET A 7 8.042 9.375 -11.531 1.00 0.00 H new ATOM 0 HG3 MET A 7 7.281 9.194 -13.099 1.00 0.00 H new ATOM 0 HE1 MET A 7 6.464 6.556 -9.370 1.00 0.00 H new ATOM 0 HE2 MET A 7 8.017 6.381 -10.220 1.00 0.00 H new ATOM 0 HE3 MET A 7 7.591 7.931 -9.458 1.00 0.00 H new ATOM 96 N ASN A 8 11.308 8.943 -11.302 1.00 0.00 N ATOM 97 CA ASN A 8 12.052 9.565 -10.187 1.00 0.00 C ATOM 98 C ASN A 8 11.215 10.625 -9.434 1.00 0.00 C ATOM 99 O ASN A 8 11.054 11.763 -9.899 1.00 0.00 O ATOM 100 CB ASN A 8 13.419 10.162 -10.638 1.00 0.00 C ATOM 101 CG ASN A 8 14.270 10.650 -9.456 1.00 0.00 C ATOM 102 OD1 ASN A 8 14.200 10.095 -8.362 1.00 0.00 O ATOM 103 ND2 ASN A 8 15.057 11.696 -9.645 1.00 0.00 N ATOM 0 H ASN A 8 11.243 7.929 -11.210 1.00 0.00 H new ATOM 0 HA ASN A 8 12.262 8.754 -9.490 1.00 0.00 H new ATOM 0 HB2 ASN A 8 13.975 9.407 -11.194 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.241 10.993 -11.320 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.620 12.056 -8.875 1.00 0.00 H new ATOM 0 HD22 ASN A 8 15.101 12.142 -10.561 1.00 0.00 H new ATOM 110 N VAL A 9 10.722 10.232 -8.246 1.00 0.00 N ATOM 111 CA VAL A 9 9.953 11.110 -7.349 1.00 0.00 C ATOM 112 C VAL A 9 10.785 12.354 -6.934 1.00 0.00 C ATOM 113 O VAL A 9 10.229 13.437 -6.765 1.00 0.00 O ATOM 114 CB VAL A 9 9.483 10.332 -6.063 1.00 0.00 C ATOM 115 CG1 VAL A 9 8.709 11.238 -5.091 1.00 0.00 C ATOM 116 CG2 VAL A 9 8.635 9.091 -6.424 1.00 0.00 C ATOM 0 H VAL A 9 10.848 9.288 -7.880 1.00 0.00 H new ATOM 0 HA VAL A 9 9.073 11.445 -7.898 1.00 0.00 H new ATOM 0 HB VAL A 9 10.389 9.995 -5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.404 10.660 -4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.348 12.062 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.825 11.635 -5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.330 8.581 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.750 9.404 -6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.227 8.412 -7.038 1.00 0.00 H new ATOM 126 N GLU A 10 12.118 12.164 -6.790 1.00 0.00 N ATOM 127 CA GLU A 10 13.080 13.223 -6.385 1.00 0.00 C ATOM 128 C GLU A 10 13.065 14.429 -7.353 1.00 0.00 C ATOM 129 O GLU A 10 13.093 15.585 -6.904 1.00 0.00 O ATOM 130 CB GLU A 10 14.508 12.631 -6.319 1.00 0.00 C ATOM 131 CG GLU A 10 15.638 13.655 -6.057 1.00 0.00 C ATOM 132 CD GLU A 10 17.035 13.093 -6.346 1.00 0.00 C ATOM 133 OE1 GLU A 10 17.263 12.589 -7.478 1.00 0.00 O ATOM 134 OE2 GLU A 10 17.925 13.171 -5.474 1.00 0.00 O ATOM 0 H GLU A 10 12.563 11.261 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 10 12.774 13.584 -5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.535 11.877 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 10 14.715 12.119 -7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.472 14.537 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.591 13.981 -5.018 1.00 0.00 H new ATOM 141 N SER A 11 13.041 14.143 -8.676 1.00 0.00 N ATOM 142 CA SER A 11 12.972 15.185 -9.726 1.00 0.00 C ATOM 143 C SER A 11 11.718 16.062 -9.527 1.00 0.00 C ATOM 144 O SER A 11 11.769 17.298 -9.657 1.00 0.00 O ATOM 145 CB SER A 11 12.956 14.536 -11.140 1.00 0.00 C ATOM 146 OG SER A 11 14.117 13.751 -11.367 1.00 0.00 O ATOM 0 H SER A 11 13.069 13.192 -9.043 1.00 0.00 H new ATOM 0 HA SER A 11 13.858 15.815 -9.645 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.068 13.913 -11.245 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.889 15.316 -11.898 1.00 0.00 H new ATOM 0 HG SER A 11 14.075 13.356 -12.263 1.00 0.00 H new ATOM 152 N TYR A 12 10.608 15.396 -9.167 1.00 0.00 N ATOM 153 CA TYR A 12 9.318 16.052 -8.935 1.00 0.00 C ATOM 154 C TYR A 12 9.314 16.785 -7.589 1.00 0.00 C ATOM 155 O TYR A 12 8.741 17.850 -7.485 1.00 0.00 O ATOM 156 CB TYR A 12 8.166 15.023 -9.021 1.00 0.00 C ATOM 157 CG TYR A 12 8.142 14.252 -10.349 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.182 14.926 -11.576 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.077 12.861 -10.382 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.166 14.239 -12.770 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.060 12.178 -11.574 1.00 0.00 C ATOM 162 CZ TYR A 12 8.102 12.867 -12.765 1.00 0.00 C ATOM 163 OH TYR A 12 8.075 12.178 -13.961 1.00 0.00 O ATOM 0 H TYR A 12 10.584 14.386 -9.029 1.00 0.00 H new ATOM 0 HA TYR A 12 9.162 16.797 -9.715 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.258 14.314 -8.198 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.215 15.540 -8.891 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.226 16.005 -11.586 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.039 12.310 -9.454 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.204 14.777 -13.706 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.014 11.099 -11.577 1.00 0.00 H new ATOM 0 HH TYR A 12 8.030 11.215 -13.783 1.00 0.00 H new ATOM 173 N GLU A 13 10.004 16.217 -6.593 1.00 0.00 N ATOM 174 CA GLU A 13 10.077 16.748 -5.226 1.00 0.00 C ATOM 175 C GLU A 13 10.630 18.194 -5.246 1.00 0.00 C ATOM 176 O GLU A 13 9.997 19.137 -4.743 1.00 0.00 O ATOM 177 CB GLU A 13 10.992 15.789 -4.392 1.00 0.00 C ATOM 178 CG GLU A 13 10.717 15.710 -2.882 1.00 0.00 C ATOM 179 CD GLU A 13 10.961 17.015 -2.115 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.113 17.508 -2.123 1.00 0.00 O ATOM 181 OE2 GLU A 13 10.009 17.537 -1.486 1.00 0.00 O ATOM 0 H GLU A 13 10.539 15.357 -6.717 1.00 0.00 H new ATOM 0 HA GLU A 13 9.088 16.792 -4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.900 14.785 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.027 16.099 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.682 15.404 -2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.346 14.930 -2.453 1.00 0.00 H new ATOM 188 N LYS A 14 11.798 18.345 -5.894 1.00 0.00 N ATOM 189 CA LYS A 14 12.510 19.624 -5.958 1.00 0.00 C ATOM 190 C LYS A 14 11.792 20.630 -6.875 1.00 0.00 C ATOM 191 O LYS A 14 11.685 21.793 -6.505 1.00 0.00 O ATOM 192 CB LYS A 14 13.982 19.443 -6.410 1.00 0.00 C ATOM 193 CG LYS A 14 14.177 18.832 -7.819 1.00 0.00 C ATOM 194 CD LYS A 14 15.570 19.123 -8.443 1.00 0.00 C ATOM 195 CE LYS A 14 15.754 20.583 -8.944 1.00 0.00 C ATOM 196 NZ LYS A 14 15.761 21.599 -7.853 1.00 0.00 N ATOM 0 H LYS A 14 12.270 17.585 -6.385 1.00 0.00 H new ATOM 0 HA LYS A 14 12.514 20.027 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.474 20.415 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.491 18.809 -5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.034 17.753 -7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.404 19.220 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.340 18.906 -7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.730 18.442 -9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.691 20.652 -9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.952 20.821 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.410 22.372 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.801 21.979 -7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.077 21.155 -6.967 1.00 0.00 H new ATOM 210 N ILE A 15 11.292 20.186 -8.071 1.00 0.00 N ATOM 211 CA ILE A 15 10.642 21.111 -9.037 1.00 0.00 C ATOM 212 C ILE A 15 9.375 21.725 -8.411 1.00 0.00 C ATOM 213 O ILE A 15 9.060 22.889 -8.643 1.00 0.00 O ATOM 214 CB ILE A 15 10.300 20.432 -10.431 1.00 0.00 C ATOM 215 CG1 ILE A 15 9.885 21.502 -11.500 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.198 19.358 -10.300 1.00 0.00 C ATOM 217 CD1 ILE A 15 9.545 20.941 -12.873 1.00 0.00 C ATOM 0 H ILE A 15 11.328 19.214 -8.378 1.00 0.00 H new ATOM 0 HA ILE A 15 11.366 21.897 -9.252 1.00 0.00 H new ATOM 0 HB ILE A 15 11.211 19.937 -10.767 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.022 22.052 -11.125 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.698 22.220 -11.609 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.998 18.921 -11.278 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.530 18.578 -9.615 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.287 19.816 -9.914 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.271 21.757 -13.542 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.411 20.417 -13.277 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.709 20.247 -12.786 1.00 0.00 H new ATOM 229 N LEU A 16 8.684 20.928 -7.576 1.00 0.00 N ATOM 230 CA LEU A 16 7.507 21.378 -6.826 1.00 0.00 C ATOM 231 C LEU A 16 7.887 22.457 -5.810 1.00 0.00 C ATOM 232 O LEU A 16 7.180 23.454 -5.681 1.00 0.00 O ATOM 233 CB LEU A 16 6.827 20.174 -6.122 1.00 0.00 C ATOM 234 CG LEU A 16 6.052 19.195 -7.053 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.436 18.017 -6.259 1.00 0.00 C ATOM 236 CD2 LEU A 16 4.993 19.946 -7.878 1.00 0.00 C ATOM 0 H LEU A 16 8.930 19.953 -7.405 1.00 0.00 H new ATOM 0 HA LEU A 16 6.797 21.815 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.592 19.610 -5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.134 20.559 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 16 6.768 18.762 -7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.904 17.356 -6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.229 17.460 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.741 18.404 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.465 19.241 -8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.282 20.427 -7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.480 20.703 -8.493 1.00 0.00 H new ATOM 248 N ARG A 17 9.013 22.243 -5.104 1.00 0.00 N ATOM 249 CA ARG A 17 9.529 23.210 -4.126 1.00 0.00 C ATOM 250 C ARG A 17 9.935 24.542 -4.793 1.00 0.00 C ATOM 251 O ARG A 17 9.538 25.600 -4.328 1.00 0.00 O ATOM 252 CB ARG A 17 10.705 22.601 -3.313 1.00 0.00 C ATOM 253 CG ARG A 17 10.268 21.506 -2.317 1.00 0.00 C ATOM 254 CD ARG A 17 11.420 20.980 -1.447 1.00 0.00 C ATOM 255 NE ARG A 17 10.909 20.129 -0.360 1.00 0.00 N ATOM 256 CZ ARG A 17 11.649 19.524 0.575 1.00 0.00 C ATOM 257 NH1 ARG A 17 12.976 19.523 0.506 1.00 0.00 N ATOM 258 NH2 ARG A 17 11.045 18.871 1.556 1.00 0.00 N ATOM 0 H ARG A 17 9.583 21.402 -5.196 1.00 0.00 H new ATOM 0 HA ARG A 17 8.720 23.437 -3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.434 22.180 -4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.208 23.398 -2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.486 21.904 -1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.831 20.675 -2.870 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.116 20.411 -2.063 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.977 21.818 -1.028 1.00 0.00 H new ATOM 0 HE ARG A 17 9.900 19.988 -0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.447 19.989 -0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.524 19.056 1.229 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.026 18.834 1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.598 18.405 2.275 1.00 0.00 H new ATOM 272 N ASP A 18 10.686 24.483 -5.895 1.00 0.00 N ATOM 273 CA ASP A 18 11.162 25.689 -6.612 1.00 0.00 C ATOM 274 C ASP A 18 9.983 26.501 -7.180 1.00 0.00 C ATOM 275 O ASP A 18 9.945 27.738 -7.067 1.00 0.00 O ATOM 276 CB ASP A 18 12.141 25.292 -7.744 1.00 0.00 C ATOM 277 CG ASP A 18 13.481 24.729 -7.233 1.00 0.00 C ATOM 278 OD1 ASP A 18 14.281 25.508 -6.670 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.750 23.522 -7.405 1.00 0.00 O ATOM 0 H ASP A 18 10.985 23.606 -6.322 1.00 0.00 H new ATOM 0 HA ASP A 18 11.690 26.320 -5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.663 24.548 -8.381 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.337 26.165 -8.366 1.00 0.00 H new ATOM 284 N ARG A 19 9.005 25.776 -7.756 1.00 0.00 N ATOM 285 CA ARG A 19 7.799 26.380 -8.356 1.00 0.00 C ATOM 286 C ARG A 19 6.903 26.994 -7.275 1.00 0.00 C ATOM 287 O ARG A 19 6.368 28.075 -7.467 1.00 0.00 O ATOM 288 CB ARG A 19 7.023 25.322 -9.211 1.00 0.00 C ATOM 289 CG ARG A 19 7.477 25.167 -10.695 1.00 0.00 C ATOM 290 CD ARG A 19 9.011 25.120 -10.899 1.00 0.00 C ATOM 291 NE ARG A 19 9.628 26.461 -10.880 1.00 0.00 N ATOM 292 CZ ARG A 19 10.947 26.723 -10.907 1.00 0.00 C ATOM 293 NH1 ARG A 19 11.851 25.758 -11.058 1.00 0.00 N ATOM 294 NH2 ARG A 19 11.350 27.979 -10.793 1.00 0.00 N ATOM 0 H ARG A 19 9.028 24.758 -7.819 1.00 0.00 H new ATOM 0 HA ARG A 19 8.109 27.185 -9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.115 24.352 -8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.965 25.584 -9.202 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.042 24.254 -11.101 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.072 25.997 -11.274 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.459 24.507 -10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.233 24.636 -11.850 1.00 0.00 H new ATOM 0 HE ARG A 19 8.997 27.261 -10.843 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.550 24.788 -11.157 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.845 25.988 -11.075 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.665 28.727 -10.687 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.346 28.199 -10.811 1.00 0.00 H new ATOM 308 N GLN A 20 6.769 26.312 -6.126 1.00 0.00 N ATOM 309 CA GLN A 20 5.907 26.797 -5.026 1.00 0.00 C ATOM 310 C GLN A 20 6.523 28.043 -4.367 1.00 0.00 C ATOM 311 O GLN A 20 5.794 28.935 -3.986 1.00 0.00 O ATOM 312 CB GLN A 20 5.608 25.691 -3.958 1.00 0.00 C ATOM 313 CG GLN A 20 6.706 25.465 -2.894 1.00 0.00 C ATOM 314 CD GLN A 20 6.415 24.355 -1.880 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.335 23.706 -1.380 1.00 0.00 O ATOM 316 NE2 GLN A 20 5.151 24.136 -1.548 1.00 0.00 N ATOM 0 H GLN A 20 7.241 25.429 -5.931 1.00 0.00 H new ATOM 0 HA GLN A 20 4.949 27.068 -5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.681 25.949 -3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.434 24.749 -4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.641 25.233 -3.404 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.862 26.398 -2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.408 24.688 -1.977 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.921 23.416 -0.863 1.00 0.00 H new ATOM 325 N ARG A 21 7.873 28.097 -4.272 1.00 0.00 N ATOM 326 CA ARG A 21 8.606 29.193 -3.585 1.00 0.00 C ATOM 327 C ARG A 21 8.499 30.516 -4.367 1.00 0.00 C ATOM 328 O ARG A 21 8.306 31.582 -3.759 1.00 0.00 O ATOM 329 CB ARG A 21 10.096 28.800 -3.353 1.00 0.00 C ATOM 330 CG ARG A 21 10.307 27.743 -2.238 1.00 0.00 C ATOM 331 CD ARG A 21 11.724 27.131 -2.239 1.00 0.00 C ATOM 332 NE ARG A 21 12.786 28.105 -1.926 1.00 0.00 N ATOM 333 CZ ARG A 21 14.075 27.993 -2.302 1.00 0.00 C ATOM 334 NH1 ARG A 21 14.473 27.047 -3.149 1.00 0.00 N ATOM 335 NH2 ARG A 21 14.964 28.848 -1.839 1.00 0.00 N ATOM 0 H ARG A 21 8.486 27.384 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 21 8.139 29.348 -2.612 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.508 28.415 -4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.662 29.697 -3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.119 28.205 -1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.574 26.945 -2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.761 26.319 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.921 26.693 -3.217 1.00 0.00 H new ATOM 0 HE ARG A 21 12.524 28.928 -1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.796 26.385 -3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.455 26.984 -3.418 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.675 29.589 -1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.942 28.769 -2.119 1.00 0.00 H new ATOM 349 N GLU A 22 8.616 30.438 -5.713 1.00 0.00 N ATOM 350 CA GLU A 22 8.427 31.620 -6.585 1.00 0.00 C ATOM 351 C GLU A 22 6.951 32.082 -6.525 1.00 0.00 C ATOM 352 O GLU A 22 6.661 33.284 -6.574 1.00 0.00 O ATOM 353 CB GLU A 22 8.868 31.342 -8.054 1.00 0.00 C ATOM 354 CG GLU A 22 7.997 30.327 -8.822 1.00 0.00 C ATOM 355 CD GLU A 22 8.248 30.315 -10.336 1.00 0.00 C ATOM 356 OE1 GLU A 22 7.920 31.316 -11.005 1.00 0.00 O ATOM 357 OE2 GLU A 22 8.738 29.303 -10.869 1.00 0.00 O ATOM 0 H GLU A 22 8.838 29.578 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 22 9.068 32.420 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.866 32.285 -8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.896 30.980 -8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.183 29.329 -8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.946 30.552 -8.639 1.00 0.00 H new ATOM 364 N LEU A 23 6.034 31.104 -6.389 1.00 0.00 N ATOM 365 CA LEU A 23 4.604 31.378 -6.204 1.00 0.00 C ATOM 366 C LEU A 23 4.338 31.996 -4.823 1.00 0.00 C ATOM 367 O LEU A 23 3.544 32.913 -4.734 1.00 0.00 O ATOM 368 CB LEU A 23 3.756 30.097 -6.415 1.00 0.00 C ATOM 369 CG LEU A 23 3.660 29.575 -7.886 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.968 28.197 -7.950 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.955 30.602 -8.802 1.00 0.00 C ATOM 0 H LEU A 23 6.266 30.111 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 23 4.302 32.103 -6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.172 29.303 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.746 30.289 -6.052 1.00 0.00 H new ATOM 0 HG LEU A 23 4.677 29.448 -8.256 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.917 27.863 -8.986 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.538 27.476 -7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.959 28.277 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.904 30.209 -9.817 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.946 30.786 -8.433 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.517 31.536 -8.802 1.00 0.00 H new ATOM 383 N TYR A 24 5.048 31.528 -3.769 1.00 0.00 N ATOM 384 CA TYR A 24 4.840 32.005 -2.378 1.00 0.00 C ATOM 385 C TYR A 24 5.124 33.515 -2.283 1.00 0.00 C ATOM 386 O TYR A 24 4.325 34.255 -1.728 1.00 0.00 O ATOM 387 CB TYR A 24 5.709 31.214 -1.333 1.00 0.00 C ATOM 388 CG TYR A 24 5.015 29.985 -0.698 1.00 0.00 C ATOM 389 CD1 TYR A 24 4.005 30.147 0.259 1.00 0.00 C ATOM 390 CD2 TYR A 24 5.368 28.673 -1.033 1.00 0.00 C ATOM 391 CE1 TYR A 24 3.379 29.052 0.839 1.00 0.00 C ATOM 392 CE2 TYR A 24 4.744 27.583 -0.461 1.00 0.00 C ATOM 393 CZ TYR A 24 3.754 27.773 0.472 1.00 0.00 C ATOM 394 OH TYR A 24 3.140 26.680 1.046 1.00 0.00 O ATOM 0 H TYR A 24 5.774 30.817 -3.855 1.00 0.00 H new ATOM 0 HA TYR A 24 3.796 31.818 -2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.625 30.882 -1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.003 31.898 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.707 31.143 0.551 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.150 28.509 -1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.602 29.199 1.574 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.034 26.582 -0.746 1.00 0.00 H new ATOM 0 HH TYR A 24 3.522 25.858 0.675 1.00 0.00 H new ATOM 404 N ARG A 25 6.251 33.950 -2.876 1.00 0.00 N ATOM 405 CA ARG A 25 6.647 35.379 -2.892 1.00 0.00 C ATOM 406 C ARG A 25 5.701 36.198 -3.808 1.00 0.00 C ATOM 407 O ARG A 25 5.435 37.376 -3.542 1.00 0.00 O ATOM 408 CB ARG A 25 8.136 35.540 -3.331 1.00 0.00 C ATOM 409 CG ARG A 25 8.418 35.165 -4.797 1.00 0.00 C ATOM 410 CD ARG A 25 9.892 35.285 -5.199 1.00 0.00 C ATOM 411 NE ARG A 25 10.078 34.920 -6.616 1.00 0.00 N ATOM 412 CZ ARG A 25 11.150 34.302 -7.135 1.00 0.00 C ATOM 413 NH1 ARG A 25 12.184 33.977 -6.373 1.00 0.00 N ATOM 414 NH2 ARG A 25 11.182 34.020 -8.428 1.00 0.00 N ATOM 0 H ARG A 25 6.909 33.333 -3.353 1.00 0.00 H new ATOM 0 HA ARG A 25 6.556 35.770 -1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.438 36.575 -3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.760 34.922 -2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.087 34.141 -4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.822 35.806 -5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.237 36.305 -5.033 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.500 34.636 -4.568 1.00 0.00 H new ATOM 0 HE ARG A 25 9.324 35.159 -7.259 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.172 34.196 -5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.992 33.507 -6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.394 34.272 -9.025 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.994 33.550 -8.828 1.00 0.00 H new ATOM 428 N ARG A 26 5.184 35.536 -4.879 1.00 0.00 N ATOM 429 CA ARG A 26 4.220 36.138 -5.823 1.00 0.00 C ATOM 430 C ARG A 26 2.900 36.524 -5.114 1.00 0.00 C ATOM 431 O ARG A 26 2.528 37.691 -5.097 1.00 0.00 O ATOM 432 CB ARG A 26 3.943 35.157 -7.009 1.00 0.00 C ATOM 433 CG ARG A 26 2.782 35.579 -7.940 1.00 0.00 C ATOM 434 CD ARG A 26 2.447 34.546 -9.033 1.00 0.00 C ATOM 435 NE ARG A 26 1.197 34.907 -9.746 1.00 0.00 N ATOM 436 CZ ARG A 26 1.085 35.196 -11.057 1.00 0.00 C ATOM 437 NH1 ARG A 26 2.150 35.254 -11.843 1.00 0.00 N ATOM 438 NH2 ARG A 26 -0.108 35.453 -11.569 1.00 0.00 N ATOM 0 H ARG A 26 5.428 34.572 -5.106 1.00 0.00 H new ATOM 0 HA ARG A 26 4.660 37.054 -6.218 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.851 35.062 -7.604 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.724 34.170 -6.602 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.892 35.755 -7.336 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.037 36.526 -8.416 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.270 34.485 -9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.341 33.559 -8.584 1.00 0.00 H new ATOM 0 HE ARG A 26 0.342 34.939 -9.191 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.078 35.078 -11.458 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.042 35.475 -12.833 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.935 35.431 -10.972 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.201 35.673 -12.561 1.00 0.00 H new ATOM 452 N LEU A 27 2.211 35.535 -4.508 1.00 0.00 N ATOM 453 CA LEU A 27 0.864 35.738 -3.917 1.00 0.00 C ATOM 454 C LEU A 27 0.924 36.393 -2.522 1.00 0.00 C ATOM 455 O LEU A 27 -0.025 37.073 -2.125 1.00 0.00 O ATOM 456 CB LEU A 27 0.022 34.411 -3.936 1.00 0.00 C ATOM 457 CG LEU A 27 0.749 33.068 -3.592 1.00 0.00 C ATOM 458 CD1 LEU A 27 1.189 32.955 -2.130 1.00 0.00 C ATOM 459 CD2 LEU A 27 -0.083 31.847 -3.996 1.00 0.00 C ATOM 0 H LEU A 27 2.564 34.583 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 27 0.338 36.452 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.804 34.531 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.415 34.308 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 27 1.661 33.084 -4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.684 31.997 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.880 33.764 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.316 33.023 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.459 30.937 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.035 31.864 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.265 31.870 -5.070 1.00 0.00 H new ATOM 471 N HIS A 28 2.066 36.237 -1.809 1.00 0.00 N ATOM 472 CA HIS A 28 2.308 36.915 -0.500 1.00 0.00 C ATOM 473 C HIS A 28 3.011 38.272 -0.738 1.00 0.00 C ATOM 474 O HIS A 28 3.686 38.772 0.142 1.00 0.00 O ATOM 475 CB HIS A 28 3.166 36.058 0.493 1.00 0.00 C ATOM 476 CG HIS A 28 2.454 34.925 1.191 1.00 0.00 C ATOM 477 ND1 HIS A 28 1.729 35.102 2.351 1.00 0.00 N ATOM 478 CD2 HIS A 28 2.407 33.600 0.932 1.00 0.00 C ATOM 479 CE1 HIS A 28 1.266 33.943 2.761 1.00 0.00 C ATOM 480 NE2 HIS A 28 1.667 33.013 1.921 1.00 0.00 N ATOM 0 H HIS A 28 2.840 35.647 -2.115 1.00 0.00 H new ATOM 0 HA HIS A 28 1.331 37.058 -0.039 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.011 35.643 -0.056 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.575 36.724 1.253 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.576 35.995 2.819 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.870 33.096 0.096 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.659 33.781 3.639 1.00 0.00 H new ATOM 489 N LYS A 29 2.771 38.876 -1.916 1.00 0.00 N ATOM 490 CA LYS A 29 3.367 40.164 -2.357 1.00 0.00 C ATOM 491 C LYS A 29 3.249 41.296 -1.298 1.00 0.00 C ATOM 492 O LYS A 29 4.111 42.170 -1.223 1.00 0.00 O ATOM 493 CB LYS A 29 2.668 40.594 -3.671 1.00 0.00 C ATOM 494 CG LYS A 29 1.163 40.960 -3.511 1.00 0.00 C ATOM 495 CD LYS A 29 0.361 40.944 -4.837 1.00 0.00 C ATOM 496 CE LYS A 29 -0.092 39.535 -5.258 1.00 0.00 C ATOM 497 NZ LYS A 29 -1.024 38.923 -4.265 1.00 0.00 N ATOM 0 H LYS A 29 2.141 38.476 -2.611 1.00 0.00 H new ATOM 0 HA LYS A 29 4.435 40.004 -2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.196 41.453 -4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.757 39.786 -4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.703 40.261 -2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.087 41.952 -3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.515 41.583 -4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.974 41.373 -5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.583 39.588 -6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.782 38.894 -5.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.698 38.303 -4.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.480 38.365 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.544 39.674 -3.768 1.00 0.00 H new ATOM 511 N ILE A 30 2.168 41.240 -0.485 1.00 0.00 N ATOM 512 CA ILE A 30 1.863 42.249 0.549 1.00 0.00 C ATOM 513 C ILE A 30 2.955 42.313 1.644 1.00 0.00 C ATOM 514 O ILE A 30 3.291 43.394 2.135 1.00 0.00 O ATOM 515 CB ILE A 30 0.438 42.016 1.205 1.00 0.00 C ATOM 516 CG1 ILE A 30 0.330 40.645 1.995 1.00 0.00 C ATOM 517 CG2 ILE A 30 -0.666 42.125 0.124 1.00 0.00 C ATOM 518 CD1 ILE A 30 0.015 39.401 1.160 1.00 0.00 C ATOM 0 H ILE A 30 1.481 40.488 -0.531 1.00 0.00 H new ATOM 0 HA ILE A 30 1.846 43.211 0.036 1.00 0.00 H new ATOM 0 HB ILE A 30 0.295 42.800 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.272 40.476 2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.442 40.750 2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.642 41.964 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.637 43.117 -0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.498 41.371 -0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.033 38.528 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.944 39.533 0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.797 39.255 0.415 1.00 0.00 H new ATOM 530 N GLU A 31 3.517 41.149 1.986 1.00 0.00 N ATOM 531 CA GLU A 31 4.552 41.009 3.030 1.00 0.00 C ATOM 532 C GLU A 31 5.940 40.760 2.395 1.00 0.00 C ATOM 533 O GLU A 31 6.973 41.084 2.989 1.00 0.00 O ATOM 534 CB GLU A 31 4.173 39.844 3.983 1.00 0.00 C ATOM 535 CG GLU A 31 4.069 38.469 3.286 1.00 0.00 C ATOM 536 CD GLU A 31 3.766 37.304 4.237 1.00 0.00 C ATOM 537 OE1 GLU A 31 4.725 36.728 4.807 1.00 0.00 O ATOM 538 OE2 GLU A 31 2.579 36.964 4.423 1.00 0.00 O ATOM 0 H GLU A 31 3.267 40.264 1.544 1.00 0.00 H new ATOM 0 HA GLU A 31 4.606 41.936 3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.917 39.782 4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.219 40.072 4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.288 38.517 2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.006 38.265 2.767 1.00 0.00 H new ATOM 545 N ALA A 32 5.936 40.188 1.173 1.00 0.00 N ATOM 546 CA ALA A 32 7.153 39.775 0.457 1.00 0.00 C ATOM 547 C ALA A 32 7.642 40.912 -0.444 1.00 0.00 C ATOM 548 O ALA A 32 7.015 41.217 -1.468 1.00 0.00 O ATOM 549 CB ALA A 32 6.887 38.495 -0.371 1.00 0.00 C ATOM 0 H ALA A 32 5.078 40.000 0.654 1.00 0.00 H new ATOM 0 HA ALA A 32 7.931 39.550 1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.798 38.204 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.577 37.689 0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.098 38.689 -1.097 1.00 0.00 H new ATOM 555 N ASP A 33 8.754 41.548 -0.035 1.00 0.00 N ATOM 556 CA ASP A 33 9.432 42.589 -0.827 1.00 0.00 C ATOM 557 C ASP A 33 10.099 41.969 -2.080 1.00 0.00 C ATOM 558 O ASP A 33 10.351 42.664 -3.065 1.00 0.00 O ATOM 559 CB ASP A 33 10.468 43.333 0.059 1.00 0.00 C ATOM 560 CG ASP A 33 11.173 44.495 -0.667 1.00 0.00 C ATOM 561 OD1 ASP A 33 10.558 45.568 -0.823 1.00 0.00 O ATOM 562 OD2 ASP A 33 12.325 44.328 -1.121 1.00 0.00 O ATOM 0 H ASP A 33 9.209 41.354 0.857 1.00 0.00 H new ATOM 0 HA ASP A 33 8.695 43.314 -1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.965 43.720 0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.218 42.621 0.403 1.00 0.00 H new ATOM 567 N PHE A 34 10.375 40.653 -2.015 1.00 0.00 N ATOM 568 CA PHE A 34 10.895 39.872 -3.148 1.00 0.00 C ATOM 569 C PHE A 34 9.765 39.574 -4.154 1.00 0.00 C ATOM 570 O PHE A 34 8.974 38.643 -3.948 1.00 0.00 O ATOM 571 CB PHE A 34 11.532 38.545 -2.646 1.00 0.00 C ATOM 572 CG PHE A 34 12.790 38.731 -1.794 1.00 0.00 C ATOM 573 CD1 PHE A 34 12.706 38.940 -0.417 1.00 0.00 C ATOM 574 CD2 PHE A 34 14.058 38.699 -2.375 1.00 0.00 C ATOM 575 CE1 PHE A 34 13.845 39.104 0.348 1.00 0.00 C ATOM 576 CE2 PHE A 34 15.193 38.863 -1.608 1.00 0.00 C ATOM 577 CZ PHE A 34 15.089 39.067 -0.247 1.00 0.00 C ATOM 0 H PHE A 34 10.242 40.100 -1.168 1.00 0.00 H new ATOM 0 HA PHE A 34 11.665 40.459 -3.649 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.791 37.998 -2.063 1.00 0.00 H new ATOM 0 HB3 PHE A 34 11.780 37.926 -3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.737 38.974 0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 34 14.152 38.544 -3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 34 13.761 39.261 1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 34 16.167 38.832 -2.074 1.00 0.00 H new ATOM 0 HZ PHE A 34 15.979 39.197 0.351 1.00 0.00 H new ATOM 587 N GLU A 35 9.653 40.421 -5.192 1.00 0.00 N ATOM 588 CA GLU A 35 8.812 40.132 -6.367 1.00 0.00 C ATOM 589 C GLU A 35 9.570 39.139 -7.260 1.00 0.00 C ATOM 590 O GLU A 35 9.115 38.008 -7.480 1.00 0.00 O ATOM 591 CB GLU A 35 8.485 41.427 -7.163 1.00 0.00 C ATOM 592 CG GLU A 35 7.676 41.178 -8.463 1.00 0.00 C ATOM 593 CD GLU A 35 7.588 42.403 -9.376 1.00 0.00 C ATOM 594 OE1 GLU A 35 8.613 42.763 -9.998 1.00 0.00 O ATOM 595 OE2 GLU A 35 6.504 43.016 -9.487 1.00 0.00 O ATOM 0 H GLU A 35 10.138 41.317 -5.241 1.00 0.00 H new ATOM 0 HA GLU A 35 7.864 39.707 -6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.922 42.104 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.418 41.930 -7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.134 40.357 -9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.668 40.860 -8.198 1.00 0.00 H new ATOM 602 N GLU A 36 10.756 39.606 -7.726 1.00 0.00 N ATOM 603 CA GLU A 36 11.702 38.849 -8.556 1.00 0.00 C ATOM 604 C GLU A 36 11.075 38.396 -9.899 1.00 0.00 C ATOM 605 O GLU A 36 10.419 37.347 -9.959 1.00 0.00 O ATOM 606 CB GLU A 36 12.310 37.657 -7.769 1.00 0.00 C ATOM 607 CG GLU A 36 13.059 38.066 -6.483 1.00 0.00 C ATOM 608 CD GLU A 36 13.720 36.878 -5.773 1.00 0.00 C ATOM 609 OE1 GLU A 36 14.803 36.445 -6.214 1.00 0.00 O ATOM 610 OE2 GLU A 36 13.163 36.367 -4.788 1.00 0.00 O ATOM 0 H GLU A 36 11.082 40.551 -7.523 1.00 0.00 H new ATOM 0 HA GLU A 36 12.518 39.525 -8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.511 36.964 -7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.997 37.118 -8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.822 38.804 -6.732 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.360 38.548 -5.799 1.00 0.00 H new ATOM 617 N PRO A 37 11.246 39.197 -11.003 1.00 0.00 N ATOM 618 CA PRO A 37 10.810 38.790 -12.373 1.00 0.00 C ATOM 619 C PRO A 37 11.725 37.675 -12.961 1.00 0.00 C ATOM 620 O PRO A 37 12.398 36.956 -12.209 1.00 0.00 O ATOM 621 CB PRO A 37 10.907 40.124 -13.166 1.00 0.00 C ATOM 622 CG PRO A 37 11.997 40.888 -12.483 1.00 0.00 C ATOM 623 CD PRO A 37 11.852 40.564 -11.010 1.00 0.00 C ATOM 0 HA PRO A 37 9.813 38.351 -12.404 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.144 39.946 -14.215 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.964 40.670 -13.141 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.978 40.592 -12.856 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.898 41.959 -12.662 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.816 40.577 -10.501 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.214 41.287 -10.502 1.00 0.00 H new ATOM 631 N ARG A 38 11.739 37.527 -14.303 1.00 0.00 N ATOM 632 CA ARG A 38 12.546 36.490 -14.986 1.00 0.00 C ATOM 633 C ARG A 38 14.054 36.822 -14.897 1.00 0.00 C ATOM 634 O ARG A 38 14.589 37.618 -15.682 1.00 0.00 O ATOM 635 CB ARG A 38 12.100 36.343 -16.465 1.00 0.00 C ATOM 636 CG ARG A 38 10.593 36.059 -16.638 1.00 0.00 C ATOM 637 CD ARG A 38 10.168 36.011 -18.109 1.00 0.00 C ATOM 638 NE ARG A 38 8.711 35.899 -18.258 1.00 0.00 N ATOM 639 CZ ARG A 38 8.066 35.812 -19.430 1.00 0.00 C ATOM 640 NH1 ARG A 38 8.730 35.752 -20.584 1.00 0.00 N ATOM 641 NH2 ARG A 38 6.750 35.748 -19.438 1.00 0.00 N ATOM 0 H ARG A 38 11.199 38.115 -14.938 1.00 0.00 H new ATOM 0 HA ARG A 38 12.380 35.538 -14.482 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.352 37.257 -17.003 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.667 35.535 -16.927 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.349 35.109 -16.162 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.020 36.830 -16.123 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.516 36.911 -18.616 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.649 35.163 -18.598 1.00 0.00 H new ATOM 0 HE ARG A 38 8.149 35.887 -17.407 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.750 35.772 -20.587 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.218 35.686 -21.464 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.233 35.765 -18.559 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.248 35.682 -20.323 1.00 0.00 H new ATOM 655 N ASN A 39 14.700 36.257 -13.869 1.00 0.00 N ATOM 656 CA ASN A 39 16.153 36.339 -13.657 1.00 0.00 C ATOM 657 C ASN A 39 16.747 34.925 -13.802 1.00 0.00 C ATOM 658 O ASN A 39 16.047 33.946 -13.513 1.00 0.00 O ATOM 659 CB ASN A 39 16.471 36.909 -12.244 1.00 0.00 C ATOM 660 CG ASN A 39 16.002 38.354 -12.048 1.00 0.00 C ATOM 661 OD1 ASN A 39 16.732 39.301 -12.339 1.00 0.00 O ATOM 662 ND2 ASN A 39 14.787 38.537 -11.552 1.00 0.00 N ATOM 0 H ASN A 39 14.220 35.720 -13.147 1.00 0.00 H new ATOM 0 HA ASN A 39 16.592 37.009 -14.396 1.00 0.00 H new ATOM 0 HB2 ASN A 39 15.999 36.277 -11.491 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.546 36.858 -12.074 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.434 39.482 -11.402 1.00 0.00 H new ATOM 0 HD22 ASN A 39 14.204 37.733 -11.320 1.00 0.00 H new ATOM 669 N PRO A 40 18.026 34.778 -14.278 1.00 0.00 N ATOM 670 CA PRO A 40 18.730 33.477 -14.266 1.00 0.00 C ATOM 671 C PRO A 40 18.843 32.927 -12.834 1.00 0.00 C ATOM 672 O PRO A 40 18.441 31.792 -12.572 1.00 0.00 O ATOM 673 CB PRO A 40 20.128 33.806 -14.868 1.00 0.00 C ATOM 674 CG PRO A 40 19.902 35.061 -15.662 1.00 0.00 C ATOM 675 CD PRO A 40 18.865 35.843 -14.887 1.00 0.00 C ATOM 0 HA PRO A 40 18.208 32.705 -14.831 1.00 0.00 H new ATOM 0 HB2 PRO A 40 20.872 33.958 -14.086 1.00 0.00 H new ATOM 0 HB3 PRO A 40 20.490 32.995 -15.500 1.00 0.00 H new ATOM 0 HG2 PRO A 40 20.825 35.630 -15.769 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.551 34.832 -16.668 1.00 0.00 H new ATOM 0 HD2 PRO A 40 19.323 36.479 -14.129 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.281 36.494 -15.538 1.00 0.00 H new ATOM 683 N ASP A 41 19.365 33.788 -11.925 1.00 0.00 N ATOM 684 CA ASP A 41 19.609 33.473 -10.493 1.00 0.00 C ATOM 685 C ASP A 41 20.695 32.367 -10.344 1.00 0.00 C ATOM 686 O ASP A 41 21.092 31.724 -11.325 1.00 0.00 O ATOM 687 CB ASP A 41 18.280 33.097 -9.761 1.00 0.00 C ATOM 688 CG ASP A 41 18.353 33.247 -8.228 1.00 0.00 C ATOM 689 OD1 ASP A 41 18.778 32.305 -7.540 1.00 0.00 O ATOM 690 OD2 ASP A 41 18.030 34.340 -7.718 1.00 0.00 O ATOM 0 H ASP A 41 19.634 34.741 -12.171 1.00 0.00 H new ATOM 0 HA ASP A 41 19.994 34.370 -10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 41 17.476 33.727 -10.141 1.00 0.00 H new ATOM 0 HB3 ASP A 41 18.020 32.067 -10.004 1.00 0.00 H new ATOM 695 N ASP A 42 21.199 32.185 -9.115 1.00 0.00 N ATOM 696 CA ASP A 42 22.217 31.151 -8.803 1.00 0.00 C ATOM 697 C ASP A 42 21.546 29.806 -8.457 1.00 0.00 C ATOM 698 O ASP A 42 21.962 28.758 -8.958 1.00 0.00 O ATOM 699 CB ASP A 42 23.174 31.619 -7.656 1.00 0.00 C ATOM 700 CG ASP A 42 22.454 32.222 -6.433 1.00 0.00 C ATOM 701 OD1 ASP A 42 21.959 31.468 -5.571 1.00 0.00 O ATOM 702 OD2 ASP A 42 22.354 33.467 -6.347 1.00 0.00 O ATOM 0 H ASP A 42 20.920 32.743 -8.308 1.00 0.00 H new ATOM 0 HA ASP A 42 22.826 31.003 -9.695 1.00 0.00 H new ATOM 0 HB2 ASP A 42 23.771 30.768 -7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 42 23.867 32.359 -8.056 1.00 0.00 H new ATOM 707 N GLU A 43 20.494 29.874 -7.619 1.00 0.00 N ATOM 708 CA GLU A 43 19.695 28.704 -7.169 1.00 0.00 C ATOM 709 C GLU A 43 18.517 29.164 -6.290 1.00 0.00 C ATOM 710 O GLU A 43 17.415 28.605 -6.370 1.00 0.00 O ATOM 711 CB GLU A 43 20.552 27.668 -6.370 1.00 0.00 C ATOM 712 CG GLU A 43 21.168 28.210 -5.061 1.00 0.00 C ATOM 713 CD GLU A 43 21.944 27.160 -4.257 1.00 0.00 C ATOM 714 OE1 GLU A 43 21.310 26.393 -3.501 1.00 0.00 O ATOM 715 OE2 GLU A 43 23.188 27.102 -4.371 1.00 0.00 O ATOM 0 H GLU A 43 20.165 30.756 -7.226 1.00 0.00 H new ATOM 0 HA GLU A 43 19.324 28.214 -8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.927 26.807 -6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 43 21.356 27.310 -7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.837 29.037 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.372 28.615 -4.437 1.00 0.00 H new ATOM 722 N ASP A 44 18.795 30.208 -5.471 1.00 0.00 N ATOM 723 CA ASP A 44 17.951 30.667 -4.354 1.00 0.00 C ATOM 724 C ASP A 44 17.886 29.587 -3.253 1.00 0.00 C ATOM 725 O ASP A 44 17.280 28.521 -3.427 1.00 0.00 O ATOM 726 CB ASP A 44 16.523 31.115 -4.798 1.00 0.00 C ATOM 727 CG ASP A 44 15.690 31.843 -3.702 1.00 0.00 C ATOM 728 OD1 ASP A 44 16.157 32.024 -2.543 1.00 0.00 O ATOM 729 OD2 ASP A 44 14.548 32.257 -4.005 1.00 0.00 O ATOM 0 H ASP A 44 19.641 30.768 -5.578 1.00 0.00 H new ATOM 0 HA ASP A 44 18.425 31.561 -3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 44 16.618 31.776 -5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.970 30.236 -5.129 1.00 0.00 H new ATOM 734 N ARG A 45 18.518 29.895 -2.122 1.00 0.00 N ATOM 735 CA ARG A 45 18.527 29.054 -0.915 1.00 0.00 C ATOM 736 C ARG A 45 18.257 29.951 0.326 1.00 0.00 C ATOM 737 O ARG A 45 18.274 29.489 1.478 1.00 0.00 O ATOM 738 CB ARG A 45 19.899 28.323 -0.843 1.00 0.00 C ATOM 739 CG ARG A 45 20.046 27.278 0.287 1.00 0.00 C ATOM 740 CD ARG A 45 21.379 26.513 0.215 1.00 0.00 C ATOM 741 NE ARG A 45 22.545 27.425 0.212 1.00 0.00 N ATOM 742 CZ ARG A 45 23.744 27.160 0.752 1.00 0.00 C ATOM 743 NH1 ARG A 45 23.968 26.038 1.428 1.00 0.00 N ATOM 744 NH2 ARG A 45 24.715 28.045 0.628 1.00 0.00 N ATOM 0 H ARG A 45 19.053 30.757 -2.012 1.00 0.00 H new ATOM 0 HA ARG A 45 17.744 28.296 -0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 45 20.075 27.826 -1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 45 20.682 29.072 -0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 45 19.970 27.779 1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 45 19.221 26.568 0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 45 21.453 25.834 1.064 1.00 0.00 H new ATOM 0 HD3 ARG A 45 21.396 25.900 -0.686 1.00 0.00 H new ATOM 0 HE ARG A 45 22.427 28.332 -0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 45 23.219 25.355 1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 45 24.889 25.859 1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.549 28.918 0.127 1.00 0.00 H new ATOM 0 HH22 ARG A 45 25.632 27.857 1.034 1.00 0.00 H new ATOM 758 N ALA A 46 17.967 31.249 0.060 1.00 0.00 N ATOM 759 CA ALA A 46 17.752 32.264 1.105 1.00 0.00 C ATOM 760 C ALA A 46 16.266 32.358 1.496 1.00 0.00 C ATOM 761 O ALA A 46 15.960 32.718 2.645 1.00 0.00 O ATOM 762 CB ALA A 46 18.283 33.630 0.642 1.00 0.00 C ATOM 0 H ALA A 46 17.877 31.615 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 46 18.307 31.959 1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.117 34.370 1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.351 33.554 0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.759 33.936 -0.263 1.00 0.00 H new ATOM 768 N SER A 47 15.346 32.061 0.540 1.00 0.00 N ATOM 769 CA SER A 47 13.895 32.061 0.812 1.00 0.00 C ATOM 770 C SER A 47 13.518 30.871 1.720 1.00 0.00 C ATOM 771 O SER A 47 13.238 29.754 1.261 1.00 0.00 O ATOM 772 CB SER A 47 13.064 32.079 -0.493 1.00 0.00 C ATOM 773 OG SER A 47 13.408 31.024 -1.367 1.00 0.00 O ATOM 0 H SER A 47 15.589 31.820 -0.421 1.00 0.00 H new ATOM 0 HA SER A 47 13.651 32.980 1.344 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.004 32.012 -0.246 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.213 33.031 -1.002 1.00 0.00 H new ATOM 0 HG SER A 47 12.857 31.076 -2.176 1.00 0.00 H new ATOM 779 N GLU A 48 13.605 31.138 3.032 1.00 0.00 N ATOM 780 CA GLU A 48 13.248 30.205 4.114 1.00 0.00 C ATOM 781 C GLU A 48 11.803 30.488 4.590 1.00 0.00 C ATOM 782 O GLU A 48 11.032 31.126 3.860 1.00 0.00 O ATOM 783 CB GLU A 48 14.273 30.381 5.278 1.00 0.00 C ATOM 784 CG GLU A 48 14.405 31.838 5.786 1.00 0.00 C ATOM 785 CD GLU A 48 15.215 31.965 7.083 1.00 0.00 C ATOM 786 OE1 GLU A 48 16.451 32.136 7.017 1.00 0.00 O ATOM 787 OE2 GLU A 48 14.610 31.896 8.176 1.00 0.00 O ATOM 0 H GLU A 48 13.936 32.037 3.381 1.00 0.00 H new ATOM 0 HA GLU A 48 13.286 29.175 3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.976 29.743 6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.251 30.034 4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.877 32.443 5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.409 32.249 5.948 1.00 0.00 H new ATOM 794 N ARG A 49 11.459 29.997 5.813 1.00 0.00 N ATOM 795 CA ARG A 49 10.173 30.260 6.512 1.00 0.00 C ATOM 796 C ARG A 49 8.995 29.502 5.850 1.00 0.00 C ATOM 797 O ARG A 49 8.667 29.738 4.682 1.00 0.00 O ATOM 798 CB ARG A 49 9.829 31.785 6.592 1.00 0.00 C ATOM 799 CG ARG A 49 10.928 32.694 7.198 1.00 0.00 C ATOM 800 CD ARG A 49 10.536 34.181 7.122 1.00 0.00 C ATOM 801 NE ARG A 49 11.622 35.094 7.511 1.00 0.00 N ATOM 802 CZ ARG A 49 11.536 36.438 7.480 1.00 0.00 C ATOM 803 NH1 ARG A 49 10.375 37.043 7.225 1.00 0.00 N ATOM 804 NH2 ARG A 49 12.602 37.172 7.757 1.00 0.00 N ATOM 0 H ARG A 49 12.083 29.395 6.350 1.00 0.00 H new ATOM 0 HA ARG A 49 10.311 29.890 7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.604 32.140 5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.920 31.903 7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.100 32.415 8.237 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.866 32.536 6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.222 34.415 6.105 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.676 34.356 7.769 1.00 0.00 H new ATOM 0 HE ARG A 49 12.500 34.681 7.826 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.538 36.487 7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.324 38.062 7.205 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.485 36.720 7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.540 38.190 7.734 1.00 0.00 H new ATOM 818 N SER A 50 8.372 28.590 6.608 1.00 0.00 N ATOM 819 CA SER A 50 7.107 27.956 6.210 1.00 0.00 C ATOM 820 C SER A 50 5.942 28.891 6.608 1.00 0.00 C ATOM 821 O SER A 50 5.765 29.187 7.796 1.00 0.00 O ATOM 822 CB SER A 50 6.977 26.558 6.878 1.00 0.00 C ATOM 823 OG SER A 50 7.156 26.625 8.290 1.00 0.00 O ATOM 0 H SER A 50 8.728 28.272 7.509 1.00 0.00 H new ATOM 0 HA SER A 50 7.081 27.802 5.131 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.995 26.139 6.656 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.716 25.881 6.450 1.00 0.00 H new ATOM 0 HG SER A 50 6.807 27.478 8.624 1.00 0.00 H new ATOM 829 N ASN A 51 5.198 29.392 5.602 1.00 0.00 N ATOM 830 CA ASN A 51 4.074 30.320 5.817 1.00 0.00 C ATOM 831 C ASN A 51 2.895 29.617 6.518 1.00 0.00 C ATOM 832 O ASN A 51 2.097 28.921 5.878 1.00 0.00 O ATOM 833 CB ASN A 51 3.623 30.987 4.473 1.00 0.00 C ATOM 834 CG ASN A 51 4.597 32.060 3.942 1.00 0.00 C ATOM 835 OD1 ASN A 51 4.779 32.206 2.729 1.00 0.00 O ATOM 836 ND2 ASN A 51 5.190 32.853 4.835 1.00 0.00 N ATOM 0 H ASN A 51 5.360 29.165 4.621 1.00 0.00 H new ATOM 0 HA ASN A 51 4.423 31.114 6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.507 30.211 3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.643 31.441 4.617 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.810 33.600 4.522 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.024 32.713 5.832 1.00 0.00 H new ATOM 843 N ASP A 52 2.838 29.771 7.855 1.00 0.00 N ATOM 844 CA ASP A 52 1.705 29.307 8.680 1.00 0.00 C ATOM 845 C ASP A 52 0.474 30.182 8.383 1.00 0.00 C ATOM 846 O ASP A 52 -0.662 29.698 8.365 1.00 0.00 O ATOM 847 CB ASP A 52 2.081 29.376 10.184 1.00 0.00 C ATOM 848 CG ASP A 52 0.979 28.832 11.120 1.00 0.00 C ATOM 849 OD1 ASP A 52 0.887 27.597 11.285 1.00 0.00 O ATOM 850 OD2 ASP A 52 0.185 29.633 11.659 1.00 0.00 O ATOM 0 H ASP A 52 3.577 30.221 8.394 1.00 0.00 H new ATOM 0 HA ASP A 52 1.470 28.271 8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.998 28.810 10.348 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.294 30.411 10.450 1.00 0.00 H new ATOM 855 N GLU A 53 0.743 31.474 8.146 1.00 0.00 N ATOM 856 CA GLU A 53 -0.246 32.445 7.664 1.00 0.00 C ATOM 857 C GLU A 53 -0.690 32.089 6.235 1.00 0.00 C ATOM 858 O GLU A 53 0.149 31.799 5.368 1.00 0.00 O ATOM 859 CB GLU A 53 0.371 33.877 7.688 1.00 0.00 C ATOM 860 CG GLU A 53 0.564 34.478 9.103 1.00 0.00 C ATOM 861 CD GLU A 53 -0.734 35.055 9.687 1.00 0.00 C ATOM 862 OE1 GLU A 53 -1.581 34.279 10.182 1.00 0.00 O ATOM 863 OE2 GLU A 53 -0.925 36.292 9.631 1.00 0.00 O ATOM 0 H GLU A 53 1.669 31.879 8.286 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.118 32.417 8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.338 33.849 7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.270 34.543 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.946 33.706 9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.318 35.264 9.059 1.00 0.00 H new ATOM 870 N VAL A 54 -2.012 32.080 6.016 1.00 0.00 N ATOM 871 CA VAL A 54 -2.593 31.963 4.679 1.00 0.00 C ATOM 872 C VAL A 54 -2.797 33.388 4.144 1.00 0.00 C ATOM 873 O VAL A 54 -2.043 33.828 3.277 1.00 0.00 O ATOM 874 CB VAL A 54 -3.960 31.176 4.678 1.00 0.00 C ATOM 875 CG1 VAL A 54 -4.467 30.947 3.231 1.00 0.00 C ATOM 876 CG2 VAL A 54 -3.844 29.842 5.462 1.00 0.00 C ATOM 0 H VAL A 54 -2.704 32.154 6.761 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.916 31.391 4.044 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.700 31.789 5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.411 30.402 3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.617 31.909 2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.730 30.368 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.803 29.324 5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.082 29.214 5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.565 30.050 6.495 1.00 0.00 H new ATOM 886 N LEU A 55 -3.782 34.107 4.744 1.00 0.00 N ATOM 887 CA LEU A 55 -4.186 35.476 4.346 1.00 0.00 C ATOM 888 C LEU A 55 -4.713 35.477 2.890 1.00 0.00 C ATOM 889 O LEU A 55 -3.940 35.401 1.944 1.00 0.00 O ATOM 890 CB LEU A 55 -3.016 36.487 4.564 1.00 0.00 C ATOM 891 CG LEU A 55 -3.288 37.989 4.213 1.00 0.00 C ATOM 892 CD1 LEU A 55 -4.535 38.544 4.945 1.00 0.00 C ATOM 893 CD2 LEU A 55 -2.033 38.848 4.512 1.00 0.00 C ATOM 0 H LEU A 55 -4.323 33.744 5.529 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.005 35.807 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.716 36.434 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.165 36.151 3.971 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.502 38.045 3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.683 39.588 4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.413 37.965 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.388 38.470 6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.237 39.889 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.782 38.770 5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.196 38.489 3.913 1.00 0.00 H new ATOM 905 N ASP A 56 -6.046 35.613 2.734 1.00 0.00 N ATOM 906 CA ASP A 56 -6.766 35.404 1.447 1.00 0.00 C ATOM 907 C ASP A 56 -6.464 36.460 0.351 1.00 0.00 C ATOM 908 O ASP A 56 -7.167 36.504 -0.663 1.00 0.00 O ATOM 909 CB ASP A 56 -8.297 35.318 1.714 1.00 0.00 C ATOM 910 CG ASP A 56 -8.718 33.977 2.327 1.00 0.00 C ATOM 911 OD1 ASP A 56 -8.824 32.988 1.575 1.00 0.00 O ATOM 912 OD2 ASP A 56 -8.920 33.895 3.558 1.00 0.00 O ATOM 0 H ASP A 56 -6.665 35.873 3.502 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.391 34.464 1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.591 36.127 2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.834 35.469 0.777 1.00 0.00 H new ATOM 917 N GLU A 57 -5.412 37.282 0.539 1.00 0.00 N ATOM 918 CA GLU A 57 -4.874 38.161 -0.524 1.00 0.00 C ATOM 919 C GLU A 57 -4.010 37.357 -1.526 1.00 0.00 C ATOM 920 O GLU A 57 -3.498 37.919 -2.509 1.00 0.00 O ATOM 921 CB GLU A 57 -4.050 39.307 0.101 1.00 0.00 C ATOM 922 CG GLU A 57 -4.842 40.165 1.102 1.00 0.00 C ATOM 923 CD GLU A 57 -4.057 41.383 1.602 1.00 0.00 C ATOM 924 OE1 GLU A 57 -3.162 41.218 2.444 1.00 0.00 O ATOM 925 OE2 GLU A 57 -4.328 42.511 1.144 1.00 0.00 O ATOM 0 H GLU A 57 -4.913 37.357 1.425 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.714 38.588 -1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.182 38.884 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.674 39.949 -0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.765 40.503 0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.127 39.548 1.955 1.00 0.00 H new ATOM 932 N LEU A 58 -3.842 36.045 -1.254 1.00 0.00 N ATOM 933 CA LEU A 58 -3.225 35.107 -2.206 1.00 0.00 C ATOM 934 C LEU A 58 -4.227 34.843 -3.347 1.00 0.00 C ATOM 935 O LEU A 58 -5.410 34.639 -3.071 1.00 0.00 O ATOM 936 CB LEU A 58 -2.835 33.753 -1.522 1.00 0.00 C ATOM 937 CG LEU A 58 -2.222 33.805 -0.086 1.00 0.00 C ATOM 938 CD1 LEU A 58 -1.729 32.411 0.370 1.00 0.00 C ATOM 939 CD2 LEU A 58 -1.121 34.878 0.053 1.00 0.00 C ATOM 0 H LEU A 58 -4.129 35.613 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.307 35.553 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.729 33.130 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.122 33.245 -2.171 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.026 34.106 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.309 32.484 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.566 31.713 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.964 32.052 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.731 34.869 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.313 34.663 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.540 35.860 -0.167 1.00 0.00 H new ATOM 951 N GLY A 59 -3.747 34.847 -4.603 1.00 0.00 N ATOM 952 CA GLY A 59 -4.613 34.667 -5.780 1.00 0.00 C ATOM 953 C GLY A 59 -5.150 33.247 -5.895 1.00 0.00 C ATOM 954 O GLY A 59 -4.460 32.310 -5.497 1.00 0.00 O ATOM 0 H GLY A 59 -2.760 34.973 -4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.448 35.365 -5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.052 34.914 -6.681 1.00 0.00 H new ATOM 958 N GLN A 60 -6.370 33.106 -6.467 1.00 0.00 N ATOM 959 CA GLN A 60 -7.107 31.824 -6.580 1.00 0.00 C ATOM 960 C GLN A 60 -6.243 30.697 -7.185 1.00 0.00 C ATOM 961 O GLN A 60 -5.979 29.695 -6.521 1.00 0.00 O ATOM 962 CB GLN A 60 -8.396 32.031 -7.429 1.00 0.00 C ATOM 963 CG GLN A 60 -9.277 30.774 -7.592 1.00 0.00 C ATOM 964 CD GLN A 60 -10.532 31.000 -8.449 1.00 0.00 C ATOM 965 OE1 GLN A 60 -10.547 31.838 -9.353 1.00 0.00 O ATOM 966 NE2 GLN A 60 -11.587 30.243 -8.185 1.00 0.00 N ATOM 0 H GLN A 60 -6.878 33.893 -6.870 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.375 31.511 -5.571 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.994 32.818 -6.969 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.108 32.386 -8.419 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.680 29.980 -8.041 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.581 30.425 -6.605 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.547 29.557 -7.431 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.439 30.346 -8.736 1.00 0.00 H new ATOM 975 N VAL A 61 -5.767 30.910 -8.435 1.00 0.00 N ATOM 976 CA VAL A 61 -4.925 29.932 -9.159 1.00 0.00 C ATOM 977 C VAL A 61 -3.660 29.581 -8.359 1.00 0.00 C ATOM 978 O VAL A 61 -3.236 28.431 -8.368 1.00 0.00 O ATOM 979 CB VAL A 61 -4.556 30.442 -10.608 1.00 0.00 C ATOM 980 CG1 VAL A 61 -3.723 31.745 -10.574 1.00 0.00 C ATOM 981 CG2 VAL A 61 -3.850 29.340 -11.448 1.00 0.00 C ATOM 0 H VAL A 61 -5.955 31.760 -8.966 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.513 29.021 -9.271 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.498 30.677 -11.103 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.493 32.057 -11.593 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.293 32.528 -10.075 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.795 31.569 -10.031 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.614 29.732 -12.437 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.930 29.036 -10.949 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.511 28.479 -11.547 1.00 0.00 H new ATOM 991 N GLY A 62 -3.114 30.577 -7.635 1.00 0.00 N ATOM 992 CA GLY A 62 -1.949 30.380 -6.785 1.00 0.00 C ATOM 993 C GLY A 62 -2.244 29.487 -5.578 1.00 0.00 C ATOM 994 O GLY A 62 -1.443 28.630 -5.242 1.00 0.00 O ATOM 0 H GLY A 62 -3.474 31.531 -7.630 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.146 29.936 -7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.590 31.349 -6.436 1.00 0.00 H new ATOM 998 N GLN A 63 -3.418 29.680 -4.950 1.00 0.00 N ATOM 999 CA GLN A 63 -3.835 28.931 -3.742 1.00 0.00 C ATOM 1000 C GLN A 63 -4.111 27.455 -4.085 1.00 0.00 C ATOM 1001 O GLN A 63 -3.700 26.561 -3.351 1.00 0.00 O ATOM 1002 CB GLN A 63 -5.100 29.577 -3.121 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.894 30.975 -2.515 1.00 0.00 C ATOM 1004 CD GLN A 63 -6.183 31.612 -1.975 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -7.272 31.369 -2.492 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -6.067 32.416 -0.919 1.00 0.00 N ATOM 0 H GLN A 63 -4.109 30.361 -5.264 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.023 28.972 -3.016 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.869 29.642 -3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.482 28.915 -2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.167 30.907 -1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.466 31.630 -3.274 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.148 32.597 -0.514 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.897 32.851 -0.515 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.814 27.231 -5.213 1.00 0.00 N ATOM 1016 CA ASP A 64 -5.139 25.878 -5.721 1.00 0.00 C ATOM 1017 C ASP A 64 -3.871 25.157 -6.197 1.00 0.00 C ATOM 1018 O ASP A 64 -3.766 23.928 -6.089 1.00 0.00 O ATOM 1019 CB ASP A 64 -6.159 25.957 -6.888 1.00 0.00 C ATOM 1020 CG ASP A 64 -7.557 26.425 -6.452 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -8.332 25.596 -5.929 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -7.895 27.612 -6.637 1.00 0.00 O ATOM 0 H ASP A 64 -5.174 27.983 -5.800 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.582 25.314 -4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.777 26.639 -7.648 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.242 24.975 -7.354 1.00 0.00 H new ATOM 1027 N GLU A 65 -2.920 25.946 -6.732 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.638 25.434 -7.233 1.00 0.00 C ATOM 1029 C GLU A 65 -0.777 24.963 -6.056 1.00 0.00 C ATOM 1030 O GLU A 65 -0.229 23.872 -6.095 1.00 0.00 O ATOM 1031 CB GLU A 65 -0.893 26.524 -8.057 1.00 0.00 C ATOM 1032 CG GLU A 65 0.227 26.006 -8.983 1.00 0.00 C ATOM 1033 CD GLU A 65 -0.260 25.342 -10.294 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -1.310 24.655 -10.303 1.00 0.00 O ATOM 1035 OE2 GLU A 65 0.425 25.496 -11.330 1.00 0.00 O ATOM 0 H GLU A 65 -3.023 26.956 -6.827 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.829 24.589 -7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.624 27.059 -8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.463 27.247 -7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.881 26.840 -9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.829 25.285 -8.431 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.706 25.814 -5.011 1.00 0.00 N ATOM 1043 CA LEU A 66 -0.024 25.507 -3.735 1.00 0.00 C ATOM 1044 C LEU A 66 -0.667 24.287 -3.063 1.00 0.00 C ATOM 1045 O LEU A 66 0.023 23.457 -2.494 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.079 26.742 -2.767 1.00 0.00 C ATOM 1047 CG LEU A 66 1.139 27.726 -2.787 1.00 0.00 C ATOM 1048 CD1 LEU A 66 1.506 28.175 -4.213 1.00 0.00 C ATOM 1049 CD2 LEU A 66 0.865 28.946 -1.869 1.00 0.00 C ATOM 0 H LEU A 66 -1.125 26.744 -5.029 1.00 0.00 H new ATOM 0 HA LEU A 66 1.019 25.280 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.978 27.313 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.194 26.368 -1.750 1.00 0.00 H new ATOM 0 HG LEU A 66 2.002 27.184 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.356 28.856 -4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.768 27.303 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.655 28.684 -4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.721 29.620 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.022 29.473 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.703 28.603 -0.847 1.00 0.00 H new ATOM 1061 N ARG A 67 -2.004 24.207 -3.138 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.767 23.109 -2.528 1.00 0.00 C ATOM 1063 C ARG A 67 -2.408 21.772 -3.199 1.00 0.00 C ATOM 1064 O ARG A 67 -2.272 20.758 -2.524 1.00 0.00 O ATOM 1065 CB ARG A 67 -4.292 23.375 -2.623 1.00 0.00 C ATOM 1066 CG ARG A 67 -5.151 22.358 -1.841 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.655 22.632 -1.953 1.00 0.00 C ATOM 1068 NE ARG A 67 -7.435 21.748 -1.069 1.00 0.00 N ATOM 1069 CZ ARG A 67 -8.768 21.799 -0.904 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -9.521 22.616 -1.637 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -9.350 21.007 -0.020 1.00 0.00 N ATOM 0 H ARG A 67 -2.582 24.896 -3.619 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.500 23.052 -1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.501 24.377 -2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.590 23.358 -3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.942 21.354 -2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.861 22.378 -0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.856 23.672 -1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.975 22.490 -2.985 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.923 21.042 -0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.088 23.217 -2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.531 22.641 -1.498 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.788 20.361 0.534 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.361 21.042 0.109 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.239 21.810 -4.532 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.863 20.644 -5.345 1.00 0.00 C ATOM 1087 C ALA A 68 -0.387 20.260 -5.111 1.00 0.00 C ATOM 1088 O ALA A 68 -0.071 19.081 -4.960 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.119 20.939 -6.832 1.00 0.00 C ATOM 0 H ALA A 68 -2.361 22.662 -5.080 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.478 19.797 -5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.838 20.071 -7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.176 21.157 -6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.524 21.799 -7.140 1.00 0.00 H new ATOM 1095 N ILE A 69 0.500 21.284 -5.061 1.00 0.00 N ATOM 1096 CA ILE A 69 1.954 21.095 -4.891 1.00 0.00 C ATOM 1097 C ILE A 69 2.250 20.474 -3.520 1.00 0.00 C ATOM 1098 O ILE A 69 2.870 19.421 -3.437 1.00 0.00 O ATOM 1099 CB ILE A 69 2.751 22.458 -5.071 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.711 22.941 -6.563 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.213 22.334 -4.579 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.372 24.288 -6.835 1.00 0.00 C ATOM 0 H ILE A 69 0.223 22.263 -5.138 1.00 0.00 H new ATOM 0 HA ILE A 69 2.295 20.414 -5.671 1.00 0.00 H new ATOM 0 HB ILE A 69 2.255 23.206 -4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.194 22.187 -7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.670 22.996 -6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.726 23.286 -4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.220 22.069 -3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.725 21.559 -5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.288 24.527 -7.895 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.876 25.062 -6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.425 24.240 -6.556 1.00 0.00 H new ATOM 1114 N ASP A 70 1.769 21.148 -2.466 1.00 0.00 N ATOM 1115 CA ASP A 70 1.952 20.730 -1.065 1.00 0.00 C ATOM 1116 C ASP A 70 1.206 19.417 -0.743 1.00 0.00 C ATOM 1117 O ASP A 70 1.606 18.698 0.180 1.00 0.00 O ATOM 1118 CB ASP A 70 1.510 21.874 -0.112 1.00 0.00 C ATOM 1119 CG ASP A 70 2.493 23.060 -0.102 1.00 0.00 C ATOM 1120 OD1 ASP A 70 2.350 23.988 -0.930 1.00 0.00 O ATOM 1121 OD2 ASP A 70 3.433 23.056 0.726 1.00 0.00 O ATOM 0 H ASP A 70 1.234 22.011 -2.562 1.00 0.00 H new ATOM 0 HA ASP A 70 3.012 20.528 -0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.524 22.229 -0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.413 21.480 0.900 1.00 0.00 H new ATOM 1126 N ALA A 71 0.124 19.112 -1.507 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.558 17.798 -1.429 1.00 0.00 C ATOM 1128 C ALA A 71 0.394 16.710 -1.912 1.00 0.00 C ATOM 1129 O ALA A 71 0.643 15.744 -1.204 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.855 17.763 -2.259 1.00 0.00 C ATOM 0 H ALA A 71 -0.291 19.757 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.836 17.626 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.318 16.780 -2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.544 18.523 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.623 17.961 -3.305 1.00 0.00 H new ATOM 1136 N ALA A 72 0.956 16.936 -3.113 1.00 0.00 N ATOM 1137 CA ALA A 72 1.886 16.014 -3.779 1.00 0.00 C ATOM 1138 C ALA A 72 3.148 15.788 -2.923 1.00 0.00 C ATOM 1139 O ALA A 72 3.570 14.652 -2.760 1.00 0.00 O ATOM 1140 CB ALA A 72 2.236 16.548 -5.174 1.00 0.00 C ATOM 0 H ALA A 72 0.772 17.780 -3.655 1.00 0.00 H new ATOM 0 HA ALA A 72 1.402 15.044 -3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.926 15.861 -5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.327 16.635 -5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.704 17.528 -5.082 1.00 0.00 H new ATOM 1146 N LEU A 73 3.677 16.881 -2.334 1.00 0.00 N ATOM 1147 CA LEU A 73 4.869 16.867 -1.448 1.00 0.00 C ATOM 1148 C LEU A 73 4.609 16.060 -0.157 1.00 0.00 C ATOM 1149 O LEU A 73 5.494 15.337 0.321 1.00 0.00 O ATOM 1150 CB LEU A 73 5.292 18.322 -1.093 1.00 0.00 C ATOM 1151 CG LEU A 73 5.885 19.170 -2.265 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.145 20.627 -1.829 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.169 18.523 -2.832 1.00 0.00 C ATOM 0 H LEU A 73 3.285 17.814 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 73 5.679 16.378 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.422 18.845 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.030 18.279 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 73 5.142 19.190 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.557 21.189 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.208 21.084 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.854 20.638 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.557 19.136 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.918 18.450 -2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.939 17.526 -3.208 1.00 0.00 H new ATOM 1165 N ALA A 74 3.387 16.208 0.391 1.00 0.00 N ATOM 1166 CA ALA A 74 2.925 15.442 1.572 1.00 0.00 C ATOM 1167 C ALA A 74 2.824 13.942 1.238 1.00 0.00 C ATOM 1168 O ALA A 74 3.154 13.088 2.064 1.00 0.00 O ATOM 1169 CB ALA A 74 1.567 15.979 2.063 1.00 0.00 C ATOM 0 H ALA A 74 2.691 16.860 0.030 1.00 0.00 H new ATOM 0 HA ALA A 74 3.655 15.567 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.241 15.406 2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.669 17.029 2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.829 15.883 1.267 1.00 0.00 H new ATOM 1175 N ARG A 75 2.377 13.651 -0.002 1.00 0.00 N ATOM 1176 CA ARG A 75 2.241 12.276 -0.522 1.00 0.00 C ATOM 1177 C ARG A 75 3.617 11.663 -0.829 1.00 0.00 C ATOM 1178 O ARG A 75 3.761 10.447 -0.787 1.00 0.00 O ATOM 1179 CB ARG A 75 1.321 12.258 -1.780 1.00 0.00 C ATOM 1180 CG ARG A 75 -0.118 12.752 -1.509 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.968 12.904 -2.788 1.00 0.00 C ATOM 1182 NE ARG A 75 -2.164 13.748 -2.560 1.00 0.00 N ATOM 1183 CZ ARG A 75 -3.428 13.312 -2.389 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -3.708 12.024 -2.310 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -4.408 14.183 -2.258 1.00 0.00 N ATOM 0 H ARG A 75 2.099 14.367 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 75 1.774 11.663 0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.769 12.880 -2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.278 11.242 -2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.613 12.053 -0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.073 13.713 -0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.359 13.343 -3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.280 11.919 -3.136 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.017 14.757 -2.529 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.960 11.334 -2.378 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.673 11.719 -2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.209 15.183 -2.286 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.366 13.857 -2.128 1.00 0.00 H new ATOM 1199 N ILE A 76 4.627 12.509 -1.129 1.00 0.00 N ATOM 1200 CA ILE A 76 6.019 12.051 -1.335 1.00 0.00 C ATOM 1201 C ILE A 76 6.584 11.509 -0.014 1.00 0.00 C ATOM 1202 O ILE A 76 7.116 10.397 0.034 1.00 0.00 O ATOM 1203 CB ILE A 76 6.952 13.195 -1.905 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.462 13.646 -3.319 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.435 12.736 -1.951 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.186 14.824 -3.933 1.00 0.00 C ATOM 0 H ILE A 76 4.503 13.516 -1.234 1.00 0.00 H new ATOM 0 HA ILE A 76 5.999 11.257 -2.082 1.00 0.00 H new ATOM 0 HB ILE A 76 6.891 14.050 -1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.550 12.798 -3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.402 13.892 -3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.053 13.542 -2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.769 12.483 -0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.525 11.860 -2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.759 15.044 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.078 15.695 -3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.243 14.583 -4.044 1.00 0.00 H new ATOM 1218 N ALA A 77 6.408 12.301 1.058 1.00 0.00 N ATOM 1219 CA ALA A 77 6.863 11.949 2.414 1.00 0.00 C ATOM 1220 C ALA A 77 6.093 10.723 2.953 1.00 0.00 C ATOM 1221 O ALA A 77 6.663 9.886 3.652 1.00 0.00 O ATOM 1222 CB ALA A 77 6.709 13.158 3.348 1.00 0.00 C ATOM 0 H ALA A 77 5.944 13.208 1.008 1.00 0.00 H new ATOM 0 HA ALA A 77 7.918 11.678 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.047 12.890 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.309 13.987 2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.661 13.456 3.387 1.00 0.00 H new ATOM 1228 N SER A 78 4.798 10.629 2.588 1.00 0.00 N ATOM 1229 CA SER A 78 3.920 9.498 2.956 1.00 0.00 C ATOM 1230 C SER A 78 4.189 8.257 2.063 1.00 0.00 C ATOM 1231 O SER A 78 3.751 7.149 2.387 1.00 0.00 O ATOM 1232 CB SER A 78 2.443 9.951 2.854 1.00 0.00 C ATOM 1233 OG SER A 78 1.539 8.934 3.259 1.00 0.00 O ATOM 0 H SER A 78 4.329 11.340 2.026 1.00 0.00 H new ATOM 0 HA SER A 78 4.135 9.200 3.982 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.293 10.835 3.473 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.224 10.241 1.826 1.00 0.00 H new ATOM 0 HG SER A 78 1.996 8.067 3.248 1.00 0.00 H new ATOM 1239 N GLY A 79 4.904 8.466 0.936 1.00 0.00 N ATOM 1240 CA GLY A 79 5.282 7.385 0.006 1.00 0.00 C ATOM 1241 C GLY A 79 4.177 7.003 -0.984 1.00 0.00 C ATOM 1242 O GLY A 79 4.330 6.056 -1.754 1.00 0.00 O ATOM 0 H GLY A 79 5.234 9.387 0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.166 7.692 -0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.560 6.503 0.583 1.00 0.00 H new ATOM 1246 N THR A 80 3.075 7.765 -0.974 1.00 0.00 N ATOM 1247 CA THR A 80 1.882 7.518 -1.815 1.00 0.00 C ATOM 1248 C THR A 80 1.814 8.515 -3.007 1.00 0.00 C ATOM 1249 O THR A 80 0.771 8.648 -3.664 1.00 0.00 O ATOM 1250 CB THR A 80 0.587 7.584 -0.923 1.00 0.00 C ATOM 1251 OG1 THR A 80 -0.611 7.356 -1.696 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.476 8.924 -0.176 1.00 0.00 C ATOM 0 H THR A 80 2.980 8.585 -0.374 1.00 0.00 H new ATOM 0 HA THR A 80 1.953 6.520 -2.248 1.00 0.00 H new ATOM 0 HB THR A 80 0.681 6.784 -0.189 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.515 7.771 -2.578 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.431 8.930 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.344 9.053 0.471 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.437 9.740 -0.897 1.00 0.00 H new ATOM 1260 N PHE A 81 2.941 9.208 -3.294 1.00 0.00 N ATOM 1261 CA PHE A 81 3.086 10.016 -4.521 1.00 0.00 C ATOM 1262 C PHE A 81 3.108 9.097 -5.759 1.00 0.00 C ATOM 1263 O PHE A 81 3.529 7.929 -5.677 1.00 0.00 O ATOM 1264 CB PHE A 81 4.365 10.885 -4.469 1.00 0.00 C ATOM 1265 CG PHE A 81 4.569 11.802 -5.693 1.00 0.00 C ATOM 1266 CD1 PHE A 81 3.829 12.979 -5.834 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.484 11.477 -6.700 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.003 13.797 -6.935 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.650 12.295 -7.797 1.00 0.00 C ATOM 1270 CZ PHE A 81 4.913 13.456 -7.916 1.00 0.00 C ATOM 0 H PHE A 81 3.762 9.222 -2.689 1.00 0.00 H new ATOM 0 HA PHE A 81 2.230 10.687 -4.592 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.333 11.502 -3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.230 10.229 -4.375 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.113 13.253 -5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.068 10.573 -6.617 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.426 14.705 -7.028 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.359 12.027 -8.566 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.048 14.097 -8.775 1.00 0.00 H new ATOM 1280 N GLY A 82 2.653 9.649 -6.897 1.00 0.00 N ATOM 1281 CA GLY A 82 2.536 8.896 -8.138 1.00 0.00 C ATOM 1282 C GLY A 82 1.388 7.905 -8.089 1.00 0.00 C ATOM 1283 O GLY A 82 1.368 6.952 -8.860 1.00 0.00 O ATOM 0 H GLY A 82 2.360 10.623 -6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.386 9.585 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.468 8.364 -8.330 1.00 0.00 H new ATOM 1287 N THR A 83 0.427 8.148 -7.168 1.00 0.00 N ATOM 1288 CA THR A 83 -0.775 7.321 -6.991 1.00 0.00 C ATOM 1289 C THR A 83 -2.031 8.218 -7.019 1.00 0.00 C ATOM 1290 O THR A 83 -2.238 9.050 -6.124 1.00 0.00 O ATOM 1291 CB THR A 83 -0.713 6.523 -5.642 1.00 0.00 C ATOM 1292 OG1 THR A 83 0.524 5.796 -5.577 1.00 0.00 O ATOM 1293 CG2 THR A 83 -1.900 5.543 -5.477 1.00 0.00 C ATOM 0 H THR A 83 0.471 8.936 -6.522 1.00 0.00 H new ATOM 0 HA THR A 83 -0.825 6.602 -7.808 1.00 0.00 H new ATOM 0 HB THR A 83 -0.776 7.247 -4.829 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.567 5.298 -4.734 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.808 5.017 -4.527 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.837 6.100 -5.494 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.892 4.821 -6.294 1.00 0.00 H new ATOM 1301 N CYS A 84 -2.829 8.066 -8.085 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.137 8.716 -8.227 1.00 0.00 C ATOM 1303 C CYS A 84 -5.158 8.056 -7.291 1.00 0.00 C ATOM 1304 O CYS A 84 -5.792 7.045 -7.641 1.00 0.00 O ATOM 1305 CB CYS A 84 -4.627 8.633 -9.678 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.194 9.483 -9.990 1.00 0.00 S ATOM 0 H CYS A 84 -2.580 7.481 -8.882 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.031 9.766 -7.956 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -3.863 9.055 -10.331 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -4.736 7.584 -9.952 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.278 8.648 -6.097 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.174 8.190 -5.018 1.00 0.00 C ATOM 1313 C VAL A 85 -7.665 8.207 -5.428 1.00 0.00 C ATOM 1314 O VAL A 85 -8.467 7.446 -4.883 1.00 0.00 O ATOM 1315 CB VAL A 85 -5.956 9.069 -3.732 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.540 8.840 -3.146 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -6.202 10.577 -4.037 1.00 0.00 C ATOM 0 H VAL A 85 -4.744 9.479 -5.844 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.917 7.152 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.685 8.761 -2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.410 9.457 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.422 7.790 -2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.790 9.111 -3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.045 11.162 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.508 10.910 -4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.226 10.716 -4.385 1.00 0.00 H new ATOM 1327 N LYS A 86 -8.010 9.057 -6.417 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.408 9.249 -6.866 1.00 0.00 C ATOM 1329 C LYS A 86 -9.941 8.025 -7.656 1.00 0.00 C ATOM 1330 O LYS A 86 -11.144 7.911 -7.900 1.00 0.00 O ATOM 1331 CB LYS A 86 -9.523 10.543 -7.717 1.00 0.00 C ATOM 1332 CG LYS A 86 -10.965 11.102 -7.823 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.053 12.390 -8.673 1.00 0.00 C ATOM 1334 CE LYS A 86 -12.377 13.153 -8.472 1.00 0.00 C ATOM 1335 NZ LYS A 86 -13.571 12.335 -8.814 1.00 0.00 N ATOM 0 H LYS A 86 -7.334 9.627 -6.925 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.029 9.350 -5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.879 11.308 -7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.148 10.340 -8.720 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.613 10.341 -8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.344 11.308 -6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.220 13.045 -8.418 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.945 12.132 -9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.450 13.478 -7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.370 14.052 -9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.432 12.897 -8.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.520 12.046 -9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.597 11.489 -8.209 1.00 0.00 H new ATOM 1349 N CYS A 87 -9.035 7.130 -8.091 1.00 0.00 N ATOM 1350 CA CYS A 87 -9.429 5.847 -8.730 1.00 0.00 C ATOM 1351 C CYS A 87 -8.581 4.664 -8.223 1.00 0.00 C ATOM 1352 O CYS A 87 -8.734 3.539 -8.716 1.00 0.00 O ATOM 1353 CB CYS A 87 -9.354 5.969 -10.271 1.00 0.00 C ATOM 1354 SG CYS A 87 -7.704 6.369 -10.929 1.00 0.00 S ATOM 0 H CYS A 87 -8.027 7.265 -8.015 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.461 5.639 -8.447 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.687 5.029 -10.712 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -10.055 6.739 -10.594 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.708 4.920 -7.216 1.00 0.00 N ATOM 1360 CA GLY A 88 -6.812 3.884 -6.663 1.00 0.00 C ATOM 1361 C GLY A 88 -5.769 3.369 -7.663 1.00 0.00 C ATOM 1362 O GLY A 88 -5.171 2.308 -7.453 1.00 0.00 O ATOM 0 H GLY A 88 -7.609 5.834 -6.774 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.297 4.289 -5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.414 3.044 -6.315 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.557 4.140 -8.750 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.606 3.795 -9.830 1.00 0.00 C ATOM 1368 C LYS A 89 -3.322 4.599 -9.651 1.00 0.00 C ATOM 1369 O LYS A 89 -3.296 5.560 -8.891 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.234 4.094 -11.231 1.00 0.00 C ATOM 1371 CG LYS A 89 -6.431 3.189 -11.608 1.00 0.00 C ATOM 1372 CD LYS A 89 -6.033 1.703 -11.800 1.00 0.00 C ATOM 1373 CE LYS A 89 -5.074 1.476 -12.988 1.00 0.00 C ATOM 1374 NZ LYS A 89 -4.643 0.051 -13.090 1.00 0.00 N ATOM 0 H LYS A 89 -6.042 5.024 -8.905 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.379 2.730 -9.776 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.561 5.134 -11.254 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.461 3.986 -11.991 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.190 3.258 -10.829 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.883 3.560 -12.528 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.561 1.340 -10.887 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.935 1.109 -11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.566 1.774 -13.914 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -4.197 2.113 -12.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.000 -0.060 -13.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.151 -0.226 -12.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.477 -0.555 -13.225 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.263 4.189 -10.349 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.006 4.950 -10.419 1.00 0.00 C ATOM 1390 C ARG A 90 -1.126 6.095 -11.448 1.00 0.00 C ATOM 1391 O ARG A 90 -1.896 6.004 -12.414 1.00 0.00 O ATOM 1392 CB ARG A 90 0.172 3.995 -10.770 1.00 0.00 C ATOM 1393 CG ARG A 90 0.620 3.075 -9.604 1.00 0.00 C ATOM 1394 CD ARG A 90 1.269 3.871 -8.458 1.00 0.00 C ATOM 1395 NE ARG A 90 1.693 3.023 -7.334 1.00 0.00 N ATOM 1396 CZ ARG A 90 2.623 3.359 -6.420 1.00 0.00 C ATOM 1397 NH1 ARG A 90 3.297 4.506 -6.524 1.00 0.00 N ATOM 1398 NH2 ARG A 90 2.865 2.548 -5.401 1.00 0.00 N ATOM 0 H ARG A 90 -2.248 3.320 -10.884 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.804 5.398 -9.446 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.120 3.373 -11.616 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.024 4.593 -11.093 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.242 2.528 -9.222 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.328 2.335 -9.978 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.133 4.412 -8.843 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.562 4.617 -8.096 1.00 0.00 H new ATOM 0 HE ARG A 90 1.248 2.110 -7.239 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.110 5.139 -7.302 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.999 4.750 -5.826 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.348 1.673 -5.311 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.569 2.798 -4.706 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.393 7.188 -11.191 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.257 8.310 -12.135 1.00 0.00 C ATOM 1414 C ILE A 91 0.759 7.906 -13.231 1.00 0.00 C ATOM 1415 O ILE A 91 1.735 7.192 -12.948 1.00 0.00 O ATOM 1416 CB ILE A 91 0.247 9.637 -11.426 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.611 10.032 -10.172 1.00 0.00 C ATOM 1418 CG2 ILE A 91 0.273 10.809 -12.434 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -1.895 10.793 -10.454 1.00 0.00 C ATOM 0 H ILE A 91 0.124 7.320 -10.322 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.240 8.518 -12.558 1.00 0.00 H new ATOM 0 HB ILE A 91 1.256 9.431 -11.069 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.864 9.122 -9.629 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.008 10.637 -9.509 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.621 11.712 -11.933 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.947 10.567 -13.256 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.731 10.975 -12.825 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.403 11.011 -9.514 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.660 11.727 -10.965 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.545 10.188 -11.086 1.00 0.00 H new ATOM 1431 N SER A 92 0.530 8.375 -14.463 1.00 0.00 N ATOM 1432 CA SER A 92 1.428 8.118 -15.602 1.00 0.00 C ATOM 1433 C SER A 92 2.696 8.995 -15.476 1.00 0.00 C ATOM 1434 O SER A 92 2.639 10.079 -14.889 1.00 0.00 O ATOM 1435 CB SER A 92 0.666 8.418 -16.909 1.00 0.00 C ATOM 1436 OG SER A 92 -0.571 7.716 -16.952 1.00 0.00 O ATOM 0 H SER A 92 -0.282 8.944 -14.702 1.00 0.00 H new ATOM 0 HA SER A 92 1.744 7.075 -15.610 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.483 9.489 -16.989 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.279 8.134 -17.765 1.00 0.00 H new ATOM 0 HG SER A 92 -1.036 7.924 -17.789 1.00 0.00 H new ATOM 1442 N GLU A 93 3.833 8.519 -16.023 1.00 0.00 N ATOM 1443 CA GLU A 93 5.112 9.258 -15.972 1.00 0.00 C ATOM 1444 C GLU A 93 5.009 10.576 -16.757 1.00 0.00 C ATOM 1445 O GLU A 93 5.509 11.606 -16.303 1.00 0.00 O ATOM 1446 CB GLU A 93 6.281 8.406 -16.531 1.00 0.00 C ATOM 1447 CG GLU A 93 7.659 9.108 -16.454 1.00 0.00 C ATOM 1448 CD GLU A 93 8.792 8.314 -17.118 1.00 0.00 C ATOM 1449 OE1 GLU A 93 9.297 7.344 -16.512 1.00 0.00 O ATOM 1450 OE2 GLU A 93 9.174 8.646 -18.261 1.00 0.00 O ATOM 0 H GLU A 93 3.892 7.623 -16.507 1.00 0.00 H new ATOM 0 HA GLU A 93 5.318 9.480 -14.925 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.331 7.467 -15.979 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.070 8.154 -17.570 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.586 10.086 -16.929 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.912 9.280 -15.408 1.00 0.00 H new ATOM 1457 N ASP A 94 4.345 10.519 -17.927 1.00 0.00 N ATOM 1458 CA ASP A 94 4.164 11.690 -18.810 1.00 0.00 C ATOM 1459 C ASP A 94 3.169 12.696 -18.204 1.00 0.00 C ATOM 1460 O ASP A 94 3.308 13.910 -18.398 1.00 0.00 O ATOM 1461 CB ASP A 94 3.744 11.261 -20.239 1.00 0.00 C ATOM 1462 CG ASP A 94 4.813 10.399 -20.934 1.00 0.00 C ATOM 1463 OD1 ASP A 94 5.823 10.960 -21.417 1.00 0.00 O ATOM 1464 OD2 ASP A 94 4.671 9.159 -20.970 1.00 0.00 O ATOM 0 H ASP A 94 3.920 9.664 -18.287 1.00 0.00 H new ATOM 0 HA ASP A 94 5.127 12.194 -18.894 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.809 10.703 -20.187 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.552 12.150 -20.840 1.00 0.00 H new ATOM 1469 N ARG A 95 2.188 12.168 -17.451 1.00 0.00 N ATOM 1470 CA ARG A 95 1.263 12.979 -16.635 1.00 0.00 C ATOM 1471 C ARG A 95 2.031 13.723 -15.522 1.00 0.00 C ATOM 1472 O ARG A 95 1.693 14.856 -15.195 1.00 0.00 O ATOM 1473 CB ARG A 95 0.159 12.082 -16.004 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.826 12.813 -15.054 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.812 13.738 -15.772 1.00 0.00 C ATOM 1476 NE ARG A 95 -2.669 14.444 -14.814 1.00 0.00 N ATOM 1477 CZ ARG A 95 -3.533 15.425 -15.117 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -3.751 15.790 -16.377 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -4.177 16.032 -14.144 1.00 0.00 N ATOM 0 H ARG A 95 2.013 11.165 -17.390 1.00 0.00 H new ATOM 0 HA ARG A 95 0.791 13.712 -17.289 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.413 11.619 -16.808 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.641 11.276 -15.451 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.387 12.070 -14.487 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.254 13.398 -14.334 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.263 14.461 -16.375 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.429 13.156 -16.456 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.603 14.166 -13.835 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.257 15.322 -17.136 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.412 16.538 -16.584 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.016 15.755 -13.176 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.837 16.780 -14.358 1.00 0.00 H new ATOM 1493 N LEU A 96 3.055 13.059 -14.944 1.00 0.00 N ATOM 1494 CA LEU A 96 3.867 13.623 -13.841 1.00 0.00 C ATOM 1495 C LEU A 96 4.902 14.650 -14.343 1.00 0.00 C ATOM 1496 O LEU A 96 5.120 15.663 -13.698 1.00 0.00 O ATOM 1497 CB LEU A 96 4.587 12.496 -13.046 1.00 0.00 C ATOM 1498 CG LEU A 96 3.700 11.651 -12.085 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.492 10.493 -11.437 1.00 0.00 C ATOM 1500 CD2 LEU A 96 3.032 12.546 -11.011 1.00 0.00 C ATOM 0 H LEU A 96 3.342 12.122 -15.226 1.00 0.00 H new ATOM 0 HA LEU A 96 3.174 14.143 -13.179 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.056 11.820 -13.761 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.388 12.948 -12.462 1.00 0.00 H new ATOM 0 HG LEU A 96 2.910 11.201 -12.686 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.835 9.929 -10.774 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.875 9.833 -12.216 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.325 10.898 -10.863 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.419 11.930 -10.354 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.802 13.047 -10.424 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.405 13.292 -11.498 1.00 0.00 H new ATOM 1512 N LYS A 97 5.554 14.369 -15.478 1.00 0.00 N ATOM 1513 CA LYS A 97 6.610 15.249 -16.026 1.00 0.00 C ATOM 1514 C LYS A 97 5.989 16.553 -16.569 1.00 0.00 C ATOM 1515 O LYS A 97 6.644 17.600 -16.599 1.00 0.00 O ATOM 1516 CB LYS A 97 7.452 14.503 -17.105 1.00 0.00 C ATOM 1517 CG LYS A 97 6.750 14.299 -18.467 1.00 0.00 C ATOM 1518 CD LYS A 97 7.557 13.411 -19.447 1.00 0.00 C ATOM 1519 CE LYS A 97 7.870 12.020 -18.874 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.474 11.111 -19.883 1.00 0.00 N ATOM 0 H LYS A 97 5.373 13.538 -16.041 1.00 0.00 H new ATOM 0 HA LYS A 97 7.296 15.521 -15.224 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.375 15.059 -17.270 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.734 13.527 -16.711 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.772 13.847 -18.300 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.577 15.272 -18.928 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.995 13.298 -20.374 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.491 13.913 -19.699 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.551 12.124 -18.029 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.952 11.574 -18.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.790 10.236 -19.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.767 10.880 -20.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.288 11.579 -20.329 1.00 0.00 H new ATOM 1534 N ALA A 98 4.713 16.456 -16.994 1.00 0.00 N ATOM 1535 CA ALA A 98 3.903 17.608 -17.409 1.00 0.00 C ATOM 1536 C ALA A 98 3.302 18.325 -16.181 1.00 0.00 C ATOM 1537 O ALA A 98 3.418 19.547 -16.034 1.00 0.00 O ATOM 1538 CB ALA A 98 2.791 17.139 -18.363 1.00 0.00 C ATOM 0 H ALA A 98 4.217 15.567 -17.058 1.00 0.00 H new ATOM 0 HA ALA A 98 4.542 18.320 -17.931 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.190 17.995 -18.670 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.238 16.675 -19.242 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.156 16.414 -17.853 1.00 0.00 H new ATOM 1544 N VAL A 99 2.654 17.539 -15.297 1.00 0.00 N ATOM 1545 CA VAL A 99 1.928 18.048 -14.109 1.00 0.00 C ATOM 1546 C VAL A 99 2.388 17.241 -12.858 1.00 0.00 C ATOM 1547 O VAL A 99 1.774 16.221 -12.523 1.00 0.00 O ATOM 1548 CB VAL A 99 0.333 17.932 -14.270 1.00 0.00 C ATOM 1549 CG1 VAL A 99 -0.393 19.088 -13.560 1.00 0.00 C ATOM 1550 CG2 VAL A 99 -0.116 17.804 -15.749 1.00 0.00 C ATOM 0 H VAL A 99 2.618 16.524 -15.386 1.00 0.00 H new ATOM 0 HA VAL A 99 2.163 19.106 -13.997 1.00 0.00 H new ATOM 0 HB VAL A 99 0.043 17.003 -13.779 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.469 18.976 -13.690 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.152 19.071 -12.497 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.072 20.037 -13.989 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.202 17.729 -15.794 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.211 18.682 -16.306 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.328 16.910 -16.188 1.00 0.00 H new ATOM 1560 N PRO A 100 3.507 17.642 -12.176 1.00 0.00 N ATOM 1561 CA PRO A 100 4.035 16.895 -10.998 1.00 0.00 C ATOM 1562 C PRO A 100 3.255 17.148 -9.691 1.00 0.00 C ATOM 1563 O PRO A 100 3.510 16.491 -8.681 1.00 0.00 O ATOM 1564 CB PRO A 100 5.497 17.399 -10.905 1.00 0.00 C ATOM 1565 CG PRO A 100 5.447 18.799 -11.446 1.00 0.00 C ATOM 1566 CD PRO A 100 4.368 18.812 -12.514 1.00 0.00 C ATOM 0 HA PRO A 100 3.943 15.816 -11.126 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.858 17.384 -9.876 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.171 16.772 -11.488 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.218 19.512 -10.655 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.411 19.087 -11.865 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.801 19.743 -12.496 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.795 18.718 -13.513 1.00 0.00 H new ATOM 1574 N TYR A 101 2.312 18.100 -9.728 1.00 0.00 N ATOM 1575 CA TYR A 101 1.532 18.509 -8.539 1.00 0.00 C ATOM 1576 C TYR A 101 0.113 17.933 -8.541 1.00 0.00 C ATOM 1577 O TYR A 101 -0.590 18.051 -7.533 1.00 0.00 O ATOM 1578 CB TYR A 101 1.499 20.060 -8.417 1.00 0.00 C ATOM 1579 CG TYR A 101 1.208 20.828 -9.715 1.00 0.00 C ATOM 1580 CD1 TYR A 101 -0.098 21.063 -10.144 1.00 0.00 C ATOM 1581 CD2 TYR A 101 2.250 21.319 -10.520 1.00 0.00 C ATOM 1582 CE1 TYR A 101 -0.354 21.758 -11.305 1.00 0.00 C ATOM 1583 CE2 TYR A 101 1.992 22.020 -11.681 1.00 0.00 C ATOM 1584 CZ TYR A 101 0.690 22.226 -12.074 1.00 0.00 C ATOM 1585 OH TYR A 101 0.424 22.941 -13.221 1.00 0.00 O ATOM 0 H TYR A 101 2.065 18.610 -10.576 1.00 0.00 H new ATOM 0 HA TYR A 101 2.037 18.096 -7.666 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.743 20.331 -7.680 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.460 20.395 -8.027 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -0.924 20.693 -9.555 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.274 21.144 -10.224 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.374 21.937 -11.613 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.807 22.404 -12.277 1.00 0.00 H new ATOM 0 HH TYR A 101 0.346 23.893 -13.002 1.00 0.00 H new ATOM 1595 N THR A 102 -0.309 17.306 -9.651 1.00 0.00 N ATOM 1596 CA THR A 102 -1.685 16.810 -9.774 1.00 0.00 C ATOM 1597 C THR A 102 -1.885 15.538 -8.894 1.00 0.00 C ATOM 1598 O THR A 102 -1.094 14.583 -8.980 1.00 0.00 O ATOM 1599 CB THR A 102 -2.078 16.540 -11.268 1.00 0.00 C ATOM 1600 OG1 THR A 102 -3.486 16.242 -11.365 1.00 0.00 O ATOM 1601 CG2 THR A 102 -1.265 15.399 -11.907 1.00 0.00 C ATOM 0 H THR A 102 0.278 17.133 -10.467 1.00 0.00 H new ATOM 0 HA THR A 102 -2.354 17.589 -9.409 1.00 0.00 H new ATOM 0 HB THR A 102 -1.846 17.451 -11.820 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.611 15.272 -11.434 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.583 15.260 -12.940 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.205 15.651 -11.884 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.431 14.477 -11.349 1.00 0.00 H new ATOM 1609 N PRO A 103 -2.902 15.526 -7.975 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.273 14.310 -7.213 1.00 0.00 C ATOM 1611 C PRO A 103 -4.138 13.336 -8.058 1.00 0.00 C ATOM 1612 O PRO A 103 -4.413 12.199 -7.640 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.052 14.894 -6.003 1.00 0.00 C ATOM 1614 CG PRO A 103 -4.692 16.148 -6.532 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.729 16.708 -7.565 1.00 0.00 C ATOM 0 HA PRO A 103 -2.415 13.706 -6.917 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.800 14.191 -5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.384 15.111 -5.169 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.662 15.932 -6.980 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.864 16.866 -5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.261 17.136 -8.415 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.110 17.501 -7.144 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.551 13.804 -9.258 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.461 13.072 -10.155 1.00 0.00 C ATOM 1625 C PHE A 104 -4.744 12.722 -11.474 1.00 0.00 C ATOM 1626 O PHE A 104 -3.989 13.528 -12.017 1.00 0.00 O ATOM 1627 CB PHE A 104 -6.732 13.924 -10.449 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.402 14.523 -9.203 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -7.633 13.747 -8.063 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -7.772 15.867 -9.163 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.218 14.295 -6.937 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.356 16.416 -8.035 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.576 15.630 -6.921 1.00 0.00 C ATOM 0 H PHE A 104 -4.257 14.707 -9.630 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.763 12.148 -9.663 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.461 14.735 -11.125 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.458 13.301 -10.972 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.350 12.705 -8.062 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.600 16.490 -10.028 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.396 13.679 -6.068 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.639 17.458 -8.026 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.027 16.058 -6.038 1.00 0.00 H new ATOM 1643 N CYS A 105 -4.997 11.509 -11.984 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.484 11.068 -13.296 1.00 0.00 C ATOM 1645 C CYS A 105 -5.300 11.742 -14.407 1.00 0.00 C ATOM 1646 O CYS A 105 -6.360 12.306 -14.117 1.00 0.00 O ATOM 1647 CB CYS A 105 -4.553 9.523 -13.411 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.245 8.832 -13.528 1.00 0.00 S ATOM 0 H CYS A 105 -5.560 10.806 -11.505 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.439 11.360 -13.398 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.988 9.213 -14.290 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.057 9.086 -12.544 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.806 11.668 -15.661 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.413 12.356 -16.831 1.00 0.00 C ATOM 1655 C GLN A 106 -6.924 12.080 -16.946 1.00 0.00 C ATOM 1656 O GLN A 106 -7.704 12.991 -17.198 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.647 11.929 -18.124 1.00 0.00 C ATOM 1658 CG GLN A 106 -5.189 12.474 -19.488 1.00 0.00 C ATOM 1659 CD GLN A 106 -6.246 11.571 -20.165 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -7.454 11.739 -19.991 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -5.789 10.601 -20.931 1.00 0.00 N ATOM 0 H GLN A 106 -3.973 11.129 -15.896 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.316 13.433 -16.695 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.609 12.245 -18.022 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.645 10.840 -18.172 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.624 13.460 -19.324 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.350 12.605 -20.172 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.784 10.483 -21.059 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.440 9.968 -21.396 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.301 10.812 -16.702 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.681 10.315 -16.849 1.00 0.00 C ATOM 1672 C GLU A 107 -9.610 10.995 -15.821 1.00 0.00 C ATOM 1673 O GLU A 107 -10.708 11.435 -16.162 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.744 8.760 -16.695 1.00 0.00 C ATOM 1675 CG GLU A 107 -7.659 7.952 -17.465 1.00 0.00 C ATOM 1676 CD GLU A 107 -6.327 7.788 -16.691 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -6.246 6.889 -15.820 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -5.368 8.562 -16.931 1.00 0.00 O ATOM 0 H GLU A 107 -6.646 10.094 -16.393 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.023 10.567 -17.853 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.666 8.517 -15.635 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.725 8.422 -17.028 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.055 6.964 -17.700 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.457 8.448 -18.414 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.129 11.093 -14.562 1.00 0.00 N ATOM 1686 CA CYS A 108 -9.866 11.754 -13.461 1.00 0.00 C ATOM 1687 C CYS A 108 -9.943 13.278 -13.681 1.00 0.00 C ATOM 1688 O CYS A 108 -10.976 13.883 -13.410 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.229 11.444 -12.085 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.376 9.714 -11.590 1.00 0.00 S ATOM 0 H CYS A 108 -8.223 10.718 -14.281 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.879 11.351 -13.464 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.174 11.716 -12.113 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.699 12.071 -11.327 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.842 13.873 -14.176 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.763 15.318 -14.490 1.00 0.00 C ATOM 1697 C ALA A 109 -9.706 15.694 -15.652 1.00 0.00 C ATOM 1698 O ALA A 109 -10.226 16.812 -15.705 1.00 0.00 O ATOM 1699 CB ALA A 109 -7.315 15.711 -14.806 1.00 0.00 C ATOM 0 H ALA A 109 -7.978 13.367 -14.371 1.00 0.00 H new ATOM 0 HA ALA A 109 -9.091 15.876 -13.613 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -7.269 16.776 -15.035 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.684 15.498 -13.943 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.962 15.139 -15.664 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.914 14.738 -16.568 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.870 14.861 -17.680 1.00 0.00 C ATOM 1707 C ALA A 110 -12.317 14.713 -17.170 1.00 0.00 C ATOM 1708 O ALA A 110 -13.234 15.363 -17.677 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.552 13.809 -18.756 1.00 0.00 C ATOM 0 H ALA A 110 -9.418 13.847 -16.558 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.775 15.852 -18.124 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.262 13.903 -19.578 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.540 13.966 -19.131 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.628 12.811 -18.323 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.493 13.850 -16.151 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.794 13.595 -15.505 1.00 0.00 C ATOM 1717 C ALA A 111 -14.192 14.735 -14.536 1.00 0.00 C ATOM 1718 O ALA A 111 -15.346 14.803 -14.108 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.766 12.235 -14.785 1.00 0.00 C ATOM 0 H ALA A 111 -11.729 13.306 -15.750 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.557 13.565 -16.283 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.731 12.055 -14.311 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.564 11.445 -15.508 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.984 12.241 -14.026 1.00 0.00 H new ATOM 1725 N LEU A 112 -13.222 15.610 -14.184 1.00 0.00 N ATOM 1726 CA LEU A 112 -13.491 16.838 -13.405 1.00 0.00 C ATOM 1727 C LEU A 112 -14.288 17.836 -14.277 1.00 0.00 C ATOM 1728 O LEU A 112 -13.741 18.295 -15.295 1.00 0.00 O ATOM 1729 CB LEU A 112 -12.167 17.505 -12.921 1.00 0.00 C ATOM 1730 CG LEU A 112 -11.306 16.709 -11.895 1.00 0.00 C ATOM 1731 CD1 LEU A 112 -9.995 17.456 -11.571 1.00 0.00 C ATOM 1732 CD2 LEU A 112 -12.104 16.389 -10.614 1.00 0.00 C ATOM 1733 OXT LEU A 112 -15.452 18.147 -13.952 1.00 0.00 O ATOM 0 H LEU A 112 -12.240 15.486 -14.430 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.073 16.564 -12.525 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.550 17.706 -13.797 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -12.416 18.469 -12.478 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.040 15.758 -12.356 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.414 16.877 -10.853 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.415 17.587 -12.485 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.228 18.433 -11.146 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.472 15.833 -9.921 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -12.427 17.318 -10.145 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -12.977 15.789 -10.870 1.00 0.00 H new TER 1745 LEU A 112 HETATM 1746 ZN ZN A 113 -7.414 8.562 -11.563 1.00 0.00 ZN