USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 646 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 Single : A 1AGLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1BSER OG : rot -56:sc= 0.781 USER MOD Single : A 1CMET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 16:sc= 1.05 USER MOD Single : A 7 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.44) USER MOD Single : A 8 TYR OH : rot -136:sc= 1.23 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -45:sc= 1.04 USER MOD Single : A 15 LYS NZ :NH3+ 157:sc= -0.0215 (180deg=-0.329) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.67! C(o=-1.7!,f=-3.5!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0773 X(o=-0.077,f=-0.52) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.192 USER MOD Single : A 43 SER OG : rot 38:sc= 0.339 USER MOD Single : A 46 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.94) USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= -0.0185 (180deg=-0.203) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.418 F(o=-3.2,f=-0.42) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -4.7! C(o=-4.7!,f=-7.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 5:sc= 0.751! USER MOD Single : A 72 THR OG1 : rot -46:sc= 0.49 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.66 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0467 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1A 20.919 3.156 -16.368 1.00 0.00 N ATOM 2 CA GLY A 1A 19.486 2.972 -16.728 1.00 0.00 C ATOM 3 C GLY A 1A 18.842 1.966 -15.774 1.00 0.00 C ATOM 4 O GLY A 1A 18.372 0.935 -16.210 1.00 0.00 O ATOM 0 H1 GLY A 1A 21.355 3.841 -17.018 1.00 0.00 H new ATOM 0 H2 GLY A 1A 20.989 3.511 -15.393 1.00 0.00 H new ATOM 0 H3 GLY A 1A 21.415 2.245 -16.441 1.00 0.00 H new ATOM 0 HA2 GLY A 1A 18.962 3.926 -16.674 1.00 0.00 H new ATOM 0 HA3 GLY A 1A 19.401 2.619 -17.756 1.00 0.00 H new ATOM 10 N SER A 1B 18.847 2.311 -14.508 1.00 0.00 N ATOM 11 CA SER A 1B 18.423 1.383 -13.406 1.00 0.00 C ATOM 12 C SER A 1B 19.290 0.111 -13.321 1.00 0.00 C ATOM 13 O SER A 1B 19.887 -0.322 -14.289 1.00 0.00 O ATOM 14 CB SER A 1B 16.911 1.009 -13.628 1.00 0.00 C ATOM 15 OG SER A 1B 16.850 -0.259 -14.272 1.00 0.00 O ATOM 0 H SER A 1B 19.138 3.232 -14.180 1.00 0.00 H new ATOM 0 HA SER A 1B 18.558 1.899 -12.455 1.00 0.00 H new ATOM 0 HB2 SER A 1B 16.385 0.975 -12.674 1.00 0.00 H new ATOM 0 HB3 SER A 1B 16.419 1.767 -14.237 1.00 0.00 H new ATOM 0 HG SER A 1B 17.360 -0.226 -15.108 1.00 0.00 H new ATOM 21 N MET A 1C 19.317 -0.437 -12.136 1.00 0.00 N ATOM 22 CA MET A 1C 20.084 -1.695 -11.870 1.00 0.00 C ATOM 23 C MET A 1C 19.139 -2.907 -11.742 1.00 0.00 C ATOM 24 O MET A 1C 19.571 -3.977 -11.361 1.00 0.00 O ATOM 25 CB MET A 1C 20.884 -1.509 -10.567 1.00 0.00 C ATOM 26 CG MET A 1C 21.823 -0.284 -10.654 1.00 0.00 C ATOM 27 SD MET A 1C 23.563 -0.565 -10.234 1.00 0.00 S ATOM 28 CE MET A 1C 24.163 1.138 -10.379 1.00 0.00 C ATOM 0 H MET A 1C 18.831 -0.060 -11.323 1.00 0.00 H new ATOM 0 HA MET A 1C 20.757 -1.890 -12.705 1.00 0.00 H new ATOM 0 HB2 MET A 1C 20.197 -1.384 -9.730 1.00 0.00 H new ATOM 0 HB3 MET A 1C 21.470 -2.406 -10.367 1.00 0.00 H new ATOM 0 HG2 MET A 1C 21.777 0.109 -11.669 1.00 0.00 H new ATOM 0 HG3 MET A 1C 21.434 0.491 -9.994 1.00 0.00 H new ATOM 0 HE1 MET A 1C 25.229 1.169 -10.154 1.00 0.00 H new ATOM 0 HE2 MET A 1C 23.996 1.497 -11.394 1.00 0.00 H new ATOM 0 HE3 MET A 1C 23.626 1.774 -9.676 1.00 0.00 H new ATOM 38 N SER A 2 17.881 -2.714 -12.066 1.00 0.00 N ATOM 39 CA SER A 2 16.883 -3.828 -11.969 1.00 0.00 C ATOM 40 C SER A 2 15.814 -3.720 -13.070 1.00 0.00 C ATOM 41 O SER A 2 15.758 -2.744 -13.795 1.00 0.00 O ATOM 42 CB SER A 2 16.220 -3.778 -10.564 1.00 0.00 C ATOM 43 OG SER A 2 15.243 -2.743 -10.609 1.00 0.00 O ATOM 0 H SER A 2 17.501 -1.827 -12.396 1.00 0.00 H new ATOM 0 HA SER A 2 17.396 -4.780 -12.108 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.759 -4.735 -10.319 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.963 -3.576 -9.792 1.00 0.00 H new ATOM 0 HG SER A 2 14.796 -2.677 -9.739 1.00 0.00 H new ATOM 49 N ALA A 3 14.997 -4.739 -13.144 1.00 0.00 N ATOM 50 CA ALA A 3 13.825 -4.722 -14.069 1.00 0.00 C ATOM 51 C ALA A 3 12.706 -3.815 -13.535 1.00 0.00 C ATOM 52 O ALA A 3 12.766 -3.327 -12.423 1.00 0.00 O ATOM 53 CB ALA A 3 13.300 -6.164 -14.230 1.00 0.00 C ATOM 0 H ALA A 3 15.094 -5.593 -12.595 1.00 0.00 H new ATOM 0 HA ALA A 3 14.142 -4.325 -15.033 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.443 -6.166 -14.904 1.00 0.00 H new ATOM 0 HB2 ALA A 3 14.088 -6.794 -14.643 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.998 -6.552 -13.257 1.00 0.00 H new ATOM 59 N GLU A 4 11.716 -3.629 -14.371 1.00 0.00 N ATOM 60 CA GLU A 4 10.483 -2.879 -13.979 1.00 0.00 C ATOM 61 C GLU A 4 9.407 -3.838 -13.461 1.00 0.00 C ATOM 62 O GLU A 4 9.120 -3.866 -12.280 1.00 0.00 O ATOM 63 CB GLU A 4 9.983 -2.115 -15.212 1.00 0.00 C ATOM 64 CG GLU A 4 10.962 -0.959 -15.483 1.00 0.00 C ATOM 65 CD GLU A 4 10.653 -0.246 -16.818 1.00 0.00 C ATOM 66 OE1 GLU A 4 9.483 -0.130 -17.151 1.00 0.00 O ATOM 67 OE2 GLU A 4 11.627 0.152 -17.438 1.00 0.00 O ATOM 0 H GLU A 4 11.711 -3.974 -15.331 1.00 0.00 H new ATOM 0 HA GLU A 4 10.709 -2.181 -13.173 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.928 -2.778 -16.075 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.977 -1.731 -15.041 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.910 -0.239 -14.666 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.982 -1.344 -15.504 1.00 0.00 H new ATOM 74 N GLY A 5 8.856 -4.592 -14.379 1.00 0.00 N ATOM 75 CA GLY A 5 7.747 -5.543 -14.053 1.00 0.00 C ATOM 76 C GLY A 5 6.490 -5.181 -14.850 1.00 0.00 C ATOM 77 O GLY A 5 6.568 -4.927 -16.038 1.00 0.00 O ATOM 0 H GLY A 5 9.133 -4.589 -15.361 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.053 -6.563 -14.285 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.532 -5.510 -12.985 1.00 0.00 H new ATOM 81 N TYR A 6 5.370 -5.175 -14.169 1.00 0.00 N ATOM 82 CA TYR A 6 4.062 -4.866 -14.838 1.00 0.00 C ATOM 83 C TYR A 6 3.731 -3.396 -14.596 1.00 0.00 C ATOM 84 O TYR A 6 4.285 -2.792 -13.696 1.00 0.00 O ATOM 85 CB TYR A 6 2.927 -5.751 -14.245 1.00 0.00 C ATOM 86 CG TYR A 6 3.502 -7.053 -13.681 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.307 -7.861 -14.461 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.232 -7.421 -12.382 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.837 -9.024 -13.949 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.761 -8.581 -11.870 1.00 0.00 C ATOM 91 CZ TYR A 6 4.564 -9.390 -12.645 1.00 0.00 C ATOM 92 OH TYR A 6 5.077 -10.552 -12.110 1.00 0.00 O ATOM 0 H TYR A 6 5.303 -5.372 -13.170 1.00 0.00 H new ATOM 0 HA TYR A 6 4.143 -5.071 -15.906 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.406 -5.206 -13.458 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.192 -5.976 -15.018 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.522 -7.578 -15.481 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.603 -6.797 -11.764 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.465 -9.649 -14.566 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.545 -8.862 -10.850 1.00 0.00 H new ATOM 0 HH TYR A 6 5.808 -10.878 -12.675 1.00 0.00 H new ATOM 102 N GLN A 7 2.844 -2.862 -15.398 1.00 0.00 N ATOM 103 CA GLN A 7 2.578 -1.392 -15.318 1.00 0.00 C ATOM 104 C GLN A 7 1.089 -1.085 -15.449 1.00 0.00 C ATOM 105 O GLN A 7 0.316 -1.874 -15.956 1.00 0.00 O ATOM 106 CB GLN A 7 3.365 -0.678 -16.441 1.00 0.00 C ATOM 107 CG GLN A 7 4.793 -0.343 -15.970 1.00 0.00 C ATOM 108 CD GLN A 7 5.667 0.013 -17.184 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.390 0.938 -17.923 1.00 0.00 O ATOM 110 NE2 GLN A 7 6.735 -0.696 -17.424 1.00 0.00 N ATOM 0 H GLN A 7 2.300 -3.371 -16.095 1.00 0.00 H new ATOM 0 HA GLN A 7 2.904 -1.032 -14.342 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.407 -1.314 -17.325 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.847 0.236 -16.731 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.769 0.492 -15.269 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.220 -1.193 -15.439 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.979 -1.475 -16.812 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.327 -0.472 -18.224 1.00 0.00 H new ATOM 119 N TYR A 8 0.762 0.084 -14.965 1.00 0.00 N ATOM 120 CA TYR A 8 -0.652 0.552 -14.924 1.00 0.00 C ATOM 121 C TYR A 8 -0.652 2.054 -15.228 1.00 0.00 C ATOM 122 O TYR A 8 0.028 2.819 -14.572 1.00 0.00 O ATOM 123 CB TYR A 8 -1.251 0.318 -13.519 1.00 0.00 C ATOM 124 CG TYR A 8 -1.294 -1.179 -13.170 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.143 -1.839 -12.786 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.479 -1.886 -13.229 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.174 -3.179 -12.468 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.509 -3.228 -12.911 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.357 -3.886 -12.527 1.00 0.00 C ATOM 130 OH TYR A 8 -1.388 -5.229 -12.207 1.00 0.00 O ATOM 0 H TYR A 8 1.435 0.750 -14.587 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.250 0.004 -15.652 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.657 0.850 -12.775 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.258 0.732 -13.478 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.791 -1.299 -12.735 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.388 -1.385 -13.526 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.735 -3.680 -12.170 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.442 -3.769 -12.963 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.931 -5.710 -12.866 1.00 0.00 H new ATOM 140 N ARG A 9 -1.419 2.422 -16.218 1.00 0.00 N ATOM 141 CA ARG A 9 -1.549 3.858 -16.608 1.00 0.00 C ATOM 142 C ARG A 9 -2.697 4.504 -15.821 1.00 0.00 C ATOM 143 O ARG A 9 -3.835 4.095 -15.943 1.00 0.00 O ATOM 144 CB ARG A 9 -1.815 3.903 -18.119 1.00 0.00 C ATOM 145 CG ARG A 9 -1.768 5.347 -18.655 1.00 0.00 C ATOM 146 CD ARG A 9 -1.539 5.290 -20.173 1.00 0.00 C ATOM 147 NE ARG A 9 -1.901 6.614 -20.763 1.00 0.00 N ATOM 148 CZ ARG A 9 -1.567 6.887 -21.996 1.00 0.00 C ATOM 149 NH1 ARG A 9 -2.366 6.532 -22.963 1.00 0.00 N ATOM 150 NH2 ARG A 9 -0.440 7.505 -22.222 1.00 0.00 N ATOM 0 H ARG A 9 -1.971 1.778 -16.784 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.640 4.415 -16.379 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.074 3.296 -18.639 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.791 3.466 -18.331 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.700 5.866 -18.431 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.967 5.906 -18.171 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.497 5.052 -20.389 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.145 4.500 -20.617 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.407 7.302 -20.205 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.239 6.048 -22.752 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.119 6.738 -23.931 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.163 7.767 -21.442 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.163 7.726 -23.178 1.00 0.00 H new ATOM 164 N ALA A 10 -2.357 5.497 -15.037 1.00 0.00 N ATOM 165 CA ALA A 10 -3.388 6.352 -14.368 1.00 0.00 C ATOM 166 C ALA A 10 -4.514 6.785 -15.323 1.00 0.00 C ATOM 167 O ALA A 10 -4.311 6.889 -16.518 1.00 0.00 O ATOM 168 CB ALA A 10 -2.699 7.605 -13.796 1.00 0.00 C ATOM 0 H ALA A 10 -1.393 5.756 -14.829 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.847 5.757 -13.578 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.440 8.236 -13.306 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.942 7.305 -13.072 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.227 8.162 -14.605 1.00 0.00 H new ATOM 174 N LEU A 11 -5.668 7.020 -14.751 1.00 0.00 N ATOM 175 CA LEU A 11 -6.868 7.398 -15.558 1.00 0.00 C ATOM 176 C LEU A 11 -7.269 8.843 -15.234 1.00 0.00 C ATOM 177 O LEU A 11 -7.556 9.615 -16.127 1.00 0.00 O ATOM 178 CB LEU A 11 -8.014 6.420 -15.215 1.00 0.00 C ATOM 179 CG LEU A 11 -8.914 6.214 -16.463 1.00 0.00 C ATOM 180 CD1 LEU A 11 -8.258 5.169 -17.411 1.00 0.00 C ATOM 181 CD2 LEU A 11 -10.324 5.739 -16.023 1.00 0.00 C ATOM 0 H LEU A 11 -5.831 6.965 -13.746 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.649 7.337 -16.624 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.604 5.464 -14.888 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.606 6.813 -14.388 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.017 7.158 -16.997 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.890 5.025 -18.287 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.278 5.528 -17.726 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.145 4.221 -16.885 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.951 5.596 -16.903 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.238 4.797 -15.482 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.775 6.490 -15.374 1.00 0.00 H new ATOM 193 N TYR A 12 -7.277 9.157 -13.961 1.00 0.00 N ATOM 194 CA TYR A 12 -7.736 10.504 -13.499 1.00 0.00 C ATOM 195 C TYR A 12 -6.900 10.985 -12.312 1.00 0.00 C ATOM 196 O TYR A 12 -6.381 10.188 -11.552 1.00 0.00 O ATOM 197 CB TYR A 12 -9.225 10.410 -13.089 1.00 0.00 C ATOM 198 CG TYR A 12 -10.042 11.411 -13.916 1.00 0.00 C ATOM 199 CD1 TYR A 12 -10.317 11.153 -15.244 1.00 0.00 C ATOM 200 CD2 TYR A 12 -10.510 12.579 -13.347 1.00 0.00 C ATOM 201 CE1 TYR A 12 -11.048 12.048 -15.992 1.00 0.00 C ATOM 202 CE2 TYR A 12 -11.242 13.476 -14.096 1.00 0.00 C ATOM 203 CZ TYR A 12 -11.516 13.215 -15.424 1.00 0.00 C ATOM 204 OH TYR A 12 -12.247 14.111 -16.178 1.00 0.00 O ATOM 0 H TYR A 12 -6.981 8.529 -13.214 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.615 11.221 -14.311 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.596 9.398 -13.252 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.336 10.623 -12.026 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -9.956 10.243 -15.699 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.301 12.791 -12.309 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -11.257 11.835 -17.030 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.603 14.387 -13.642 1.00 0.00 H new ATOM 0 HH TYR A 12 -12.499 14.878 -15.622 1.00 0.00 H new ATOM 214 N ASP A 13 -6.800 12.285 -12.196 1.00 0.00 N ATOM 215 CA ASP A 13 -6.061 12.899 -11.053 1.00 0.00 C ATOM 216 C ASP A 13 -6.801 12.627 -9.733 1.00 0.00 C ATOM 217 O ASP A 13 -7.916 13.077 -9.551 1.00 0.00 O ATOM 218 CB ASP A 13 -5.945 14.425 -11.281 1.00 0.00 C ATOM 219 CG ASP A 13 -4.700 14.963 -10.544 1.00 0.00 C ATOM 220 OD1 ASP A 13 -4.699 14.864 -9.326 1.00 0.00 O ATOM 221 OD2 ASP A 13 -3.819 15.442 -11.240 1.00 0.00 O ATOM 0 H ASP A 13 -7.204 12.954 -12.852 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.065 12.459 -10.993 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.870 14.639 -12.347 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.841 14.927 -10.917 1.00 0.00 H new ATOM 226 N TYR A 14 -6.153 11.897 -8.862 1.00 0.00 N ATOM 227 CA TYR A 14 -6.734 11.579 -7.517 1.00 0.00 C ATOM 228 C TYR A 14 -5.829 12.172 -6.433 1.00 0.00 C ATOM 229 O TYR A 14 -4.619 12.093 -6.523 1.00 0.00 O ATOM 230 CB TYR A 14 -6.833 10.034 -7.387 1.00 0.00 C ATOM 231 CG TYR A 14 -6.898 9.570 -5.914 1.00 0.00 C ATOM 232 CD1 TYR A 14 -5.740 9.288 -5.212 1.00 0.00 C ATOM 233 CD2 TYR A 14 -8.114 9.425 -5.278 1.00 0.00 C ATOM 234 CE1 TYR A 14 -5.797 8.868 -3.899 1.00 0.00 C ATOM 235 CE2 TYR A 14 -8.173 9.005 -3.964 1.00 0.00 C ATOM 236 CZ TYR A 14 -7.016 8.724 -3.266 1.00 0.00 C ATOM 237 OH TYR A 14 -7.090 8.308 -1.952 1.00 0.00 O ATOM 0 H TYR A 14 -5.228 11.499 -9.027 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.729 12.009 -7.402 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.720 9.684 -7.915 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.971 9.575 -7.872 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.781 9.398 -5.697 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.027 9.642 -5.812 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.884 8.651 -3.364 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.132 8.896 -3.479 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.483 7.551 -1.814 1.00 0.00 H new ATOM 247 N LYS A 15 -6.458 12.744 -5.440 1.00 0.00 N ATOM 248 CA LYS A 15 -5.723 13.269 -4.254 1.00 0.00 C ATOM 249 C LYS A 15 -5.774 12.249 -3.116 1.00 0.00 C ATOM 250 O LYS A 15 -6.750 11.540 -2.963 1.00 0.00 O ATOM 251 CB LYS A 15 -6.393 14.591 -3.838 1.00 0.00 C ATOM 252 CG LYS A 15 -5.511 15.789 -4.243 1.00 0.00 C ATOM 253 CD LYS A 15 -5.386 15.891 -5.792 1.00 0.00 C ATOM 254 CE LYS A 15 -5.695 17.324 -6.267 1.00 0.00 C ATOM 255 NZ LYS A 15 -4.808 18.311 -5.589 1.00 0.00 N ATOM 0 H LYS A 15 -7.469 12.871 -5.402 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.674 13.444 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.372 14.675 -4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.558 14.600 -2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.939 16.710 -3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.520 15.682 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.379 15.609 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.073 15.189 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.561 17.390 -7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.738 17.563 -6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.743 19.173 -6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.202 18.548 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.860 17.901 -5.470 1.00 0.00 H new ATOM 269 N LYS A 16 -4.713 12.209 -2.353 1.00 0.00 N ATOM 270 CA LYS A 16 -4.629 11.261 -1.196 1.00 0.00 C ATOM 271 C LYS A 16 -5.194 11.896 0.084 1.00 0.00 C ATOM 272 O LYS A 16 -5.369 13.098 0.159 1.00 0.00 O ATOM 273 CB LYS A 16 -3.150 10.866 -0.984 1.00 0.00 C ATOM 274 CG LYS A 16 -2.250 12.127 -0.830 1.00 0.00 C ATOM 275 CD LYS A 16 -1.604 12.141 0.572 1.00 0.00 C ATOM 276 CE LYS A 16 -0.856 13.472 0.778 1.00 0.00 C ATOM 277 NZ LYS A 16 -0.451 13.614 2.205 1.00 0.00 N ATOM 0 H LYS A 16 -3.891 12.798 -2.482 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.226 10.376 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.061 10.241 -0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.805 10.270 -1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.476 12.128 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.844 13.029 -0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.369 12.019 1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.914 11.304 0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.024 13.507 0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.495 14.306 0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.053 14.514 2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.297 13.601 2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.175 12.826 2.468 1.00 0.00 H new ATOM 291 N GLU A 17 -5.454 11.054 1.054 1.00 0.00 N ATOM 292 CA GLU A 17 -6.072 11.507 2.343 1.00 0.00 C ATOM 293 C GLU A 17 -5.434 10.764 3.522 1.00 0.00 C ATOM 294 O GLU A 17 -5.423 11.248 4.638 1.00 0.00 O ATOM 295 CB GLU A 17 -7.584 11.221 2.288 1.00 0.00 C ATOM 296 CG GLU A 17 -8.348 12.036 3.360 1.00 0.00 C ATOM 297 CD GLU A 17 -9.405 11.139 4.035 1.00 0.00 C ATOM 298 OE1 GLU A 17 -10.306 10.725 3.322 1.00 0.00 O ATOM 299 OE2 GLU A 17 -9.255 10.915 5.225 1.00 0.00 O ATOM 0 H GLU A 17 -5.261 10.054 1.007 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.903 12.575 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.968 11.468 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.761 10.157 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.651 12.418 4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.829 12.900 2.901 1.00 0.00 H new ATOM 306 N ARG A 18 -4.927 9.604 3.208 1.00 0.00 N ATOM 307 CA ARG A 18 -4.216 8.748 4.206 1.00 0.00 C ATOM 308 C ARG A 18 -2.711 8.744 3.919 1.00 0.00 C ATOM 309 O ARG A 18 -2.289 8.872 2.784 1.00 0.00 O ATOM 310 CB ARG A 18 -4.779 7.318 4.113 1.00 0.00 C ATOM 311 CG ARG A 18 -4.432 6.503 5.394 1.00 0.00 C ATOM 312 CD ARG A 18 -5.704 6.240 6.218 1.00 0.00 C ATOM 313 NE ARG A 18 -6.625 5.376 5.419 1.00 0.00 N ATOM 314 CZ ARG A 18 -7.872 5.235 5.783 1.00 0.00 C ATOM 315 NH1 ARG A 18 -8.651 6.283 5.808 1.00 0.00 N ATOM 316 NH2 ARG A 18 -8.304 4.050 6.113 1.00 0.00 N ATOM 0 H ARG A 18 -4.977 9.200 2.273 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.371 9.142 5.211 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.860 7.356 3.982 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.369 6.817 3.236 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.967 5.557 5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.707 7.050 5.996 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.450 5.752 7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.193 7.182 6.469 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.280 4.896 4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.284 7.198 5.545 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.626 6.187 6.090 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.671 3.250 6.085 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.275 3.923 6.400 1.00 0.00 H new ATOM 330 N GLU A 19 -1.955 8.594 4.975 1.00 0.00 N ATOM 331 CA GLU A 19 -0.478 8.358 4.871 1.00 0.00 C ATOM 332 C GLU A 19 -0.112 7.116 4.044 1.00 0.00 C ATOM 333 O GLU A 19 1.037 6.924 3.692 1.00 0.00 O ATOM 334 CB GLU A 19 0.097 8.211 6.292 1.00 0.00 C ATOM 335 CG GLU A 19 -0.746 7.194 7.111 1.00 0.00 C ATOM 336 CD GLU A 19 0.138 6.483 8.155 1.00 0.00 C ATOM 337 OE1 GLU A 19 0.765 7.199 8.920 1.00 0.00 O ATOM 338 OE2 GLU A 19 0.134 5.262 8.130 1.00 0.00 O ATOM 0 H GLU A 19 -2.307 8.626 5.932 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.050 9.214 4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.133 7.877 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.099 9.179 6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.566 7.710 7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.192 6.459 6.441 1.00 0.00 H new ATOM 345 N GLU A 20 -1.103 6.313 3.765 1.00 0.00 N ATOM 346 CA GLU A 20 -0.903 5.137 2.864 1.00 0.00 C ATOM 347 C GLU A 20 -0.965 5.552 1.389 1.00 0.00 C ATOM 348 O GLU A 20 -0.191 5.070 0.586 1.00 0.00 O ATOM 349 CB GLU A 20 -1.993 4.102 3.164 1.00 0.00 C ATOM 350 CG GLU A 20 -1.660 3.411 4.508 1.00 0.00 C ATOM 351 CD GLU A 20 -2.726 2.358 4.892 1.00 0.00 C ATOM 352 OE1 GLU A 20 -3.333 1.790 3.994 1.00 0.00 O ATOM 353 OE2 GLU A 20 -2.874 2.176 6.091 1.00 0.00 O ATOM 0 H GLU A 20 -2.051 6.421 4.125 1.00 0.00 H new ATOM 0 HA GLU A 20 0.084 4.711 3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.969 4.585 3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.046 3.365 2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.684 2.931 4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.590 4.162 5.295 1.00 0.00 H new ATOM 360 N ASP A 21 -1.884 6.435 1.085 1.00 0.00 N ATOM 361 CA ASP A 21 -2.094 6.866 -0.334 1.00 0.00 C ATOM 362 C ASP A 21 -1.202 8.054 -0.690 1.00 0.00 C ATOM 363 O ASP A 21 -0.778 8.798 0.173 1.00 0.00 O ATOM 364 CB ASP A 21 -3.574 7.246 -0.506 1.00 0.00 C ATOM 365 CG ASP A 21 -4.466 5.983 -0.578 1.00 0.00 C ATOM 366 OD1 ASP A 21 -4.080 4.962 -0.022 1.00 0.00 O ATOM 367 OD2 ASP A 21 -5.509 6.120 -1.199 1.00 0.00 O ATOM 0 H ASP A 21 -2.503 6.879 1.763 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.829 6.047 -1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.891 7.873 0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.699 7.836 -1.414 1.00 0.00 H new ATOM 372 N ILE A 22 -0.951 8.182 -1.967 1.00 0.00 N ATOM 373 CA ILE A 22 -0.075 9.281 -2.486 1.00 0.00 C ATOM 374 C ILE A 22 -0.764 10.026 -3.627 1.00 0.00 C ATOM 375 O ILE A 22 -1.828 9.649 -4.079 1.00 0.00 O ATOM 376 CB ILE A 22 1.264 8.676 -2.993 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.003 7.343 -3.771 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.188 8.413 -1.781 1.00 0.00 C ATOM 379 CD1 ILE A 22 1.985 7.193 -4.941 1.00 0.00 C ATOM 0 H ILE A 22 -1.322 7.561 -2.687 1.00 0.00 H new ATOM 0 HA ILE A 22 0.119 9.987 -1.678 1.00 0.00 H new ATOM 0 HB ILE A 22 1.743 9.379 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.105 6.495 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.021 7.330 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.130 7.988 -2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.382 9.351 -1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.704 7.714 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.785 6.260 -5.467 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.863 8.030 -5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.006 7.183 -4.560 1.00 0.00 H new ATOM 391 N ASP A 23 -0.106 11.072 -4.053 1.00 0.00 N ATOM 392 CA ASP A 23 -0.693 11.980 -5.080 1.00 0.00 C ATOM 393 C ASP A 23 -0.619 11.294 -6.442 1.00 0.00 C ATOM 394 O ASP A 23 0.416 10.779 -6.819 1.00 0.00 O ATOM 395 CB ASP A 23 0.106 13.296 -5.104 1.00 0.00 C ATOM 396 CG ASP A 23 -0.252 14.137 -3.865 1.00 0.00 C ATOM 397 OD1 ASP A 23 -1.422 14.475 -3.756 1.00 0.00 O ATOM 398 OD2 ASP A 23 0.659 14.397 -3.095 1.00 0.00 O ATOM 0 H ASP A 23 0.824 11.338 -3.729 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.734 12.200 -4.843 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.175 13.084 -5.116 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.119 13.854 -6.013 1.00 0.00 H new ATOM 403 N LEU A 24 -1.733 11.311 -7.128 1.00 0.00 N ATOM 404 CA LEU A 24 -1.838 10.628 -8.449 1.00 0.00 C ATOM 405 C LEU A 24 -2.231 11.651 -9.513 1.00 0.00 C ATOM 406 O LEU A 24 -3.199 12.369 -9.355 1.00 0.00 O ATOM 407 CB LEU A 24 -2.912 9.519 -8.372 1.00 0.00 C ATOM 408 CG LEU A 24 -2.497 8.413 -7.358 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.640 7.358 -7.244 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.177 7.719 -7.811 1.00 0.00 C ATOM 0 H LEU A 24 -2.587 11.777 -6.822 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.878 10.181 -8.709 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.867 9.952 -8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.056 9.078 -9.358 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.326 8.874 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.350 6.583 -6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.552 7.845 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.818 6.907 -8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.904 6.949 -7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.323 7.263 -8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.379 8.459 -7.871 1.00 0.00 H new ATOM 422 N HIS A 25 -1.454 11.683 -10.565 1.00 0.00 N ATOM 423 CA HIS A 25 -1.660 12.700 -11.644 1.00 0.00 C ATOM 424 C HIS A 25 -1.997 11.974 -12.954 1.00 0.00 C ATOM 425 O HIS A 25 -2.175 10.771 -12.952 1.00 0.00 O ATOM 426 CB HIS A 25 -0.370 13.558 -11.819 1.00 0.00 C ATOM 427 CG HIS A 25 0.647 13.364 -10.688 1.00 0.00 C ATOM 428 ND1 HIS A 25 0.389 13.251 -9.425 1.00 0.00 N ATOM 429 CD2 HIS A 25 2.018 13.271 -10.765 1.00 0.00 C ATOM 430 CE1 HIS A 25 1.495 13.104 -8.768 1.00 0.00 C ATOM 431 NE2 HIS A 25 2.541 13.108 -9.562 1.00 0.00 N ATOM 0 H HIS A 25 -0.677 11.042 -10.726 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.482 13.363 -11.374 1.00 0.00 H new ATOM 0 HB2 HIS A 25 0.101 13.304 -12.769 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.647 14.611 -11.872 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.587 13.324 -11.681 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.551 12.992 -7.695 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.524 13.009 -9.310 1.00 0.00 H new ATOM 439 N LEU A 26 -2.083 12.708 -14.036 1.00 0.00 N ATOM 440 CA LEU A 26 -2.382 12.072 -15.361 1.00 0.00 C ATOM 441 C LEU A 26 -1.098 11.514 -15.989 1.00 0.00 C ATOM 442 O LEU A 26 -0.014 11.961 -15.670 1.00 0.00 O ATOM 443 CB LEU A 26 -3.012 13.132 -16.296 1.00 0.00 C ATOM 444 CG LEU A 26 -4.240 13.805 -15.592 1.00 0.00 C ATOM 445 CD1 LEU A 26 -3.826 15.185 -15.004 1.00 0.00 C ATOM 446 CD2 LEU A 26 -5.428 13.970 -16.586 1.00 0.00 C ATOM 0 H LEU A 26 -1.959 13.720 -14.061 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.079 11.246 -15.217 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.271 13.888 -16.554 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.328 12.665 -17.229 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.569 13.159 -14.778 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.685 15.645 -14.517 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.028 15.045 -14.275 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.475 15.832 -15.808 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.268 14.439 -16.074 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.118 14.596 -17.423 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.730 12.991 -16.957 1.00 0.00 H new ATOM 458 N GLY A 27 -1.263 10.550 -16.865 1.00 0.00 N ATOM 459 CA GLY A 27 -0.092 9.870 -17.511 1.00 0.00 C ATOM 460 C GLY A 27 0.841 9.180 -16.501 1.00 0.00 C ATOM 461 O GLY A 27 1.833 8.593 -16.891 1.00 0.00 O ATOM 0 H GLY A 27 -2.173 10.200 -17.164 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.457 9.130 -18.223 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.478 10.605 -18.080 1.00 0.00 H new ATOM 465 N ASP A 28 0.503 9.271 -15.238 1.00 0.00 N ATOM 466 CA ASP A 28 1.339 8.648 -14.170 1.00 0.00 C ATOM 467 C ASP A 28 1.316 7.128 -14.315 1.00 0.00 C ATOM 468 O ASP A 28 0.329 6.486 -14.007 1.00 0.00 O ATOM 469 CB ASP A 28 0.777 9.063 -12.799 1.00 0.00 C ATOM 470 CG ASP A 28 1.480 10.344 -12.323 1.00 0.00 C ATOM 471 OD1 ASP A 28 1.476 11.286 -13.099 1.00 0.00 O ATOM 472 OD2 ASP A 28 1.981 10.312 -11.212 1.00 0.00 O ATOM 0 H ASP A 28 -0.327 9.757 -14.900 1.00 0.00 H new ATOM 0 HA ASP A 28 2.371 8.986 -14.258 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.298 9.230 -12.870 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.928 8.262 -12.075 1.00 0.00 H new ATOM 477 N ILE A 29 2.415 6.604 -14.784 1.00 0.00 N ATOM 478 CA ILE A 29 2.567 5.126 -14.865 1.00 0.00 C ATOM 479 C ILE A 29 3.188 4.604 -13.584 1.00 0.00 C ATOM 480 O ILE A 29 4.173 5.125 -13.096 1.00 0.00 O ATOM 481 CB ILE A 29 3.442 4.798 -16.103 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.449 4.732 -17.278 1.00 0.00 C ATOM 483 CG2 ILE A 29 4.163 3.414 -15.960 1.00 0.00 C ATOM 484 CD1 ILE A 29 3.149 4.998 -18.619 1.00 0.00 C ATOM 0 H ILE A 29 3.217 7.140 -15.116 1.00 0.00 H new ATOM 0 HA ILE A 29 1.598 4.640 -14.977 1.00 0.00 H new ATOM 0 HB ILE A 29 4.225 5.545 -16.235 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.975 3.751 -17.301 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.656 5.465 -17.128 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.765 3.224 -16.849 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.808 3.429 -15.081 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.418 2.625 -15.850 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.420 4.944 -19.427 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.600 5.990 -18.603 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.924 4.249 -18.779 1.00 0.00 H new ATOM 496 N LEU A 30 2.561 3.567 -13.097 1.00 0.00 N ATOM 497 CA LEU A 30 3.037 2.906 -11.858 1.00 0.00 C ATOM 498 C LEU A 30 3.646 1.550 -12.219 1.00 0.00 C ATOM 499 O LEU A 30 3.252 0.946 -13.199 1.00 0.00 O ATOM 500 CB LEU A 30 1.840 2.724 -10.907 1.00 0.00 C ATOM 501 CG LEU A 30 1.534 4.053 -10.164 1.00 0.00 C ATOM 502 CD1 LEU A 30 1.054 5.135 -11.178 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.418 3.792 -9.126 1.00 0.00 C ATOM 0 H LEU A 30 1.729 3.148 -13.514 1.00 0.00 H new ATOM 0 HA LEU A 30 3.797 3.512 -11.365 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.964 2.405 -11.471 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.057 1.937 -10.184 1.00 0.00 H new ATOM 0 HG LEU A 30 2.436 4.411 -9.668 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.842 6.063 -10.647 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.834 5.311 -11.919 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.150 4.789 -11.679 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.191 4.717 -8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.478 3.438 -9.636 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.753 3.038 -8.414 1.00 0.00 H new ATOM 515 N THR A 31 4.587 1.110 -11.420 1.00 0.00 N ATOM 516 CA THR A 31 5.318 -0.164 -11.719 1.00 0.00 C ATOM 517 C THR A 31 5.311 -1.071 -10.482 1.00 0.00 C ATOM 518 O THR A 31 5.330 -0.581 -9.369 1.00 0.00 O ATOM 519 CB THR A 31 6.766 0.182 -12.109 1.00 0.00 C ATOM 520 OG1 THR A 31 6.676 0.829 -13.372 1.00 0.00 O ATOM 521 CG2 THR A 31 7.584 -1.092 -12.374 1.00 0.00 C ATOM 0 H THR A 31 4.883 1.582 -10.566 1.00 0.00 H new ATOM 0 HA THR A 31 4.829 -0.691 -12.539 1.00 0.00 H new ATOM 0 HB THR A 31 7.229 0.770 -11.317 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.574 1.078 -13.677 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.603 -0.820 -12.648 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.602 -1.707 -11.474 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.128 -1.655 -13.189 1.00 0.00 H new ATOM 529 N VAL A 32 5.283 -2.365 -10.711 1.00 0.00 N ATOM 530 CA VAL A 32 5.233 -3.349 -9.576 1.00 0.00 C ATOM 531 C VAL A 32 6.477 -4.257 -9.635 1.00 0.00 C ATOM 532 O VAL A 32 7.530 -3.820 -10.059 1.00 0.00 O ATOM 533 CB VAL A 32 3.905 -4.213 -9.686 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.449 -4.631 -8.249 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.767 -3.407 -10.377 1.00 0.00 C ATOM 0 H VAL A 32 5.293 -2.785 -11.640 1.00 0.00 H new ATOM 0 HA VAL A 32 5.228 -2.820 -8.623 1.00 0.00 H new ATOM 0 HB VAL A 32 4.112 -5.096 -10.290 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.537 -5.225 -8.315 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.233 -5.222 -7.776 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.258 -3.738 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.870 -4.023 -10.439 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.552 -2.510 -9.796 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.081 -3.122 -11.381 1.00 0.00 H new ATOM 545 N ASN A 33 6.324 -5.489 -9.213 1.00 0.00 N ATOM 546 CA ASN A 33 7.445 -6.475 -9.261 1.00 0.00 C ATOM 547 C ASN A 33 7.317 -7.355 -10.509 1.00 0.00 C ATOM 548 O ASN A 33 6.248 -7.486 -11.072 1.00 0.00 O ATOM 549 CB ASN A 33 7.387 -7.323 -7.965 1.00 0.00 C ATOM 550 CG ASN A 33 8.544 -6.878 -7.058 1.00 0.00 C ATOM 551 OD1 ASN A 33 9.618 -7.446 -7.079 1.00 0.00 O ATOM 552 ND2 ASN A 33 8.369 -5.867 -6.251 1.00 0.00 N ATOM 0 H ASN A 33 5.453 -5.857 -8.831 1.00 0.00 H new ATOM 0 HA ASN A 33 8.407 -5.966 -9.321 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.431 -7.184 -7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.472 -8.384 -8.199 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.130 -5.560 -5.645 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.471 -5.384 -6.226 1.00 0.00 H new ATOM 559 N LYS A 34 8.428 -7.926 -10.898 1.00 0.00 N ATOM 560 CA LYS A 34 8.510 -8.703 -12.178 1.00 0.00 C ATOM 561 C LYS A 34 8.063 -10.155 -11.970 1.00 0.00 C ATOM 562 O LYS A 34 7.593 -10.800 -12.889 1.00 0.00 O ATOM 563 CB LYS A 34 9.972 -8.664 -12.680 1.00 0.00 C ATOM 564 CG LYS A 34 10.880 -9.444 -11.698 1.00 0.00 C ATOM 565 CD LYS A 34 12.366 -9.075 -11.918 1.00 0.00 C ATOM 566 CE LYS A 34 13.228 -9.877 -10.917 1.00 0.00 C ATOM 567 NZ LYS A 34 14.617 -9.332 -10.857 1.00 0.00 N ATOM 0 H LYS A 34 9.302 -7.887 -10.373 1.00 0.00 H new ATOM 0 HA LYS A 34 7.845 -8.255 -12.916 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.037 -9.101 -13.676 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.311 -7.631 -12.763 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.592 -9.218 -10.671 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.741 -10.516 -11.840 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.665 -9.303 -12.941 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.515 -8.005 -11.773 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.774 -9.838 -9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.257 -10.926 -11.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.178 -9.886 -10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.054 -9.392 -11.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.587 -8.338 -10.552 1.00 0.00 H new ATOM 581 N GLY A 35 8.235 -10.614 -10.757 1.00 0.00 N ATOM 582 CA GLY A 35 7.944 -12.037 -10.421 1.00 0.00 C ATOM 583 C GLY A 35 7.762 -12.171 -8.917 1.00 0.00 C ATOM 584 O GLY A 35 8.100 -13.185 -8.338 1.00 0.00 O ATOM 0 H GLY A 35 8.570 -10.053 -9.974 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.044 -12.368 -10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.760 -12.677 -10.759 1.00 0.00 H new ATOM 588 N SER A 36 7.227 -11.128 -8.333 1.00 0.00 N ATOM 589 CA SER A 36 6.978 -11.100 -6.861 1.00 0.00 C ATOM 590 C SER A 36 5.795 -10.163 -6.586 1.00 0.00 C ATOM 591 O SER A 36 5.853 -9.295 -5.734 1.00 0.00 O ATOM 592 CB SER A 36 8.269 -10.606 -6.171 1.00 0.00 C ATOM 593 OG SER A 36 9.203 -11.660 -6.363 1.00 0.00 O ATOM 0 H SER A 36 6.948 -10.279 -8.825 1.00 0.00 H new ATOM 0 HA SER A 36 6.728 -12.087 -6.471 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.624 -9.676 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.103 -10.411 -5.111 1.00 0.00 H new ATOM 0 HG SER A 36 10.058 -11.418 -5.950 1.00 0.00 H new ATOM 599 N LEU A 37 4.748 -10.385 -7.338 1.00 0.00 N ATOM 600 CA LEU A 37 3.445 -9.681 -7.082 1.00 0.00 C ATOM 601 C LEU A 37 2.910 -9.999 -5.670 1.00 0.00 C ATOM 602 O LEU A 37 2.247 -9.188 -5.051 1.00 0.00 O ATOM 603 CB LEU A 37 2.444 -10.127 -8.207 1.00 0.00 C ATOM 604 CG LEU A 37 1.353 -11.168 -7.759 1.00 0.00 C ATOM 605 CD1 LEU A 37 0.277 -10.465 -6.881 1.00 0.00 C ATOM 606 CD2 LEU A 37 0.688 -11.772 -9.027 1.00 0.00 C ATOM 0 H LEU A 37 4.735 -11.030 -8.128 1.00 0.00 H new ATOM 0 HA LEU A 37 3.577 -8.600 -7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.941 -9.241 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.015 -10.555 -9.030 1.00 0.00 H new ATOM 0 HG LEU A 37 1.818 -11.960 -7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.475 -11.192 -6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.751 -10.039 -5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.199 -9.671 -7.456 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.071 -12.496 -8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.222 -10.976 -9.608 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.445 -12.269 -9.634 1.00 0.00 H new ATOM 618 N VAL A 38 3.236 -11.186 -5.228 1.00 0.00 N ATOM 619 CA VAL A 38 3.072 -11.635 -3.810 1.00 0.00 C ATOM 620 C VAL A 38 3.563 -10.620 -2.762 1.00 0.00 C ATOM 621 O VAL A 38 3.348 -10.799 -1.580 1.00 0.00 O ATOM 622 CB VAL A 38 3.825 -12.989 -3.647 1.00 0.00 C ATOM 623 CG1 VAL A 38 3.447 -13.606 -2.277 1.00 0.00 C ATOM 624 CG2 VAL A 38 3.423 -13.967 -4.800 1.00 0.00 C ATOM 0 H VAL A 38 3.634 -11.905 -5.832 1.00 0.00 H new ATOM 0 HA VAL A 38 2.004 -11.741 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 38 4.901 -12.820 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.967 -14.555 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.736 -12.923 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.371 -13.774 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.954 -14.911 -4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.349 -14.148 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.686 -13.524 -5.761 1.00 0.00 H new ATOM 634 N ALA A 39 4.215 -9.594 -3.245 1.00 0.00 N ATOM 635 CA ALA A 39 4.577 -8.376 -2.448 1.00 0.00 C ATOM 636 C ALA A 39 3.529 -8.051 -1.372 1.00 0.00 C ATOM 637 O ALA A 39 3.849 -7.613 -0.284 1.00 0.00 O ATOM 638 CB ALA A 39 4.707 -7.174 -3.403 1.00 0.00 C ATOM 0 H ALA A 39 4.529 -9.548 -4.214 1.00 0.00 H new ATOM 0 HA ALA A 39 5.520 -8.578 -1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.970 -6.283 -2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.485 -7.377 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.758 -7.011 -3.914 1.00 0.00 H new ATOM 644 N LEU A 40 2.298 -8.290 -1.738 1.00 0.00 N ATOM 645 CA LEU A 40 1.145 -8.016 -0.823 1.00 0.00 C ATOM 646 C LEU A 40 0.772 -9.255 -0.006 1.00 0.00 C ATOM 647 O LEU A 40 0.369 -9.155 1.137 1.00 0.00 O ATOM 648 CB LEU A 40 -0.056 -7.559 -1.675 1.00 0.00 C ATOM 649 CG LEU A 40 0.195 -6.095 -2.151 1.00 0.00 C ATOM 650 CD1 LEU A 40 -0.708 -5.760 -3.368 1.00 0.00 C ATOM 651 CD2 LEU A 40 -0.075 -5.109 -0.982 1.00 0.00 C ATOM 0 H LEU A 40 2.036 -8.670 -2.648 1.00 0.00 H new ATOM 0 HA LEU A 40 1.428 -7.235 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.183 -8.219 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.975 -7.614 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 40 1.235 -5.995 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.521 -4.735 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.483 -6.443 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.755 -5.866 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.102 -4.088 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.109 -5.209 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.593 -5.338 -0.152 1.00 0.00 H new ATOM 663 N GLY A 41 0.928 -10.379 -0.649 1.00 0.00 N ATOM 664 CA GLY A 41 0.511 -11.691 -0.057 1.00 0.00 C ATOM 665 C GLY A 41 -0.448 -12.442 -0.985 1.00 0.00 C ATOM 666 O GLY A 41 -1.034 -13.437 -0.606 1.00 0.00 O ATOM 0 H GLY A 41 1.336 -10.449 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.393 -12.304 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.030 -11.521 0.906 1.00 0.00 H new ATOM 670 N PHE A 42 -0.571 -11.932 -2.179 1.00 0.00 N ATOM 671 CA PHE A 42 -1.553 -12.471 -3.171 1.00 0.00 C ATOM 672 C PHE A 42 -1.032 -13.790 -3.773 1.00 0.00 C ATOM 673 O PHE A 42 0.123 -14.130 -3.606 1.00 0.00 O ATOM 674 CB PHE A 42 -1.747 -11.400 -4.270 1.00 0.00 C ATOM 675 CG PHE A 42 -3.052 -10.614 -4.060 1.00 0.00 C ATOM 676 CD1 PHE A 42 -3.275 -9.928 -2.880 1.00 0.00 C ATOM 677 CD2 PHE A 42 -4.016 -10.582 -5.051 1.00 0.00 C ATOM 678 CE1 PHE A 42 -4.444 -9.219 -2.693 1.00 0.00 C ATOM 679 CE2 PHE A 42 -5.186 -9.874 -4.870 1.00 0.00 C ATOM 680 CZ PHE A 42 -5.403 -9.190 -3.689 1.00 0.00 C ATOM 0 H PHE A 42 -0.019 -11.145 -2.520 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.507 -12.687 -2.690 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.901 -10.713 -4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.762 -11.879 -5.249 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.529 -9.947 -2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.851 -11.116 -5.975 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.610 -8.686 -1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.932 -9.854 -5.651 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.318 -8.635 -3.544 1.00 0.00 H new ATOM 690 N SER A 43 -1.906 -14.494 -4.454 1.00 0.00 N ATOM 691 CA SER A 43 -1.482 -15.705 -5.229 1.00 0.00 C ATOM 692 C SER A 43 -2.347 -15.936 -6.467 1.00 0.00 C ATOM 693 O SER A 43 -2.230 -16.931 -7.154 1.00 0.00 O ATOM 694 CB SER A 43 -1.551 -16.935 -4.282 1.00 0.00 C ATOM 695 OG SER A 43 -0.228 -17.094 -3.782 1.00 0.00 O ATOM 0 H SER A 43 -2.902 -14.280 -4.506 1.00 0.00 H new ATOM 0 HA SER A 43 -0.465 -15.551 -5.589 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.261 -16.769 -3.472 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.880 -17.826 -4.817 1.00 0.00 H new ATOM 0 HG SER A 43 0.169 -16.213 -3.620 1.00 0.00 H new ATOM 701 N ASP A 44 -3.189 -14.973 -6.694 1.00 0.00 N ATOM 702 CA ASP A 44 -4.164 -14.991 -7.821 1.00 0.00 C ATOM 703 C ASP A 44 -4.936 -13.657 -7.807 1.00 0.00 C ATOM 704 O ASP A 44 -5.778 -13.446 -6.955 1.00 0.00 O ATOM 705 CB ASP A 44 -5.127 -16.173 -7.625 1.00 0.00 C ATOM 706 CG ASP A 44 -5.755 -16.561 -8.981 1.00 0.00 C ATOM 707 OD1 ASP A 44 -6.725 -15.909 -9.336 1.00 0.00 O ATOM 708 OD2 ASP A 44 -5.234 -17.486 -9.584 1.00 0.00 O ATOM 0 H ASP A 44 -3.245 -14.133 -6.117 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.657 -15.107 -8.779 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.592 -17.024 -7.204 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.909 -15.904 -6.915 1.00 0.00 H new ATOM 713 N GLY A 45 -4.628 -12.801 -8.747 1.00 0.00 N ATOM 714 CA GLY A 45 -5.288 -11.459 -8.812 1.00 0.00 C ATOM 715 C GLY A 45 -5.437 -10.992 -10.257 1.00 0.00 C ATOM 716 O GLY A 45 -6.055 -9.975 -10.506 1.00 0.00 O ATOM 0 H GLY A 45 -3.941 -12.975 -9.480 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.269 -11.509 -8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.700 -10.733 -8.250 1.00 0.00 H new ATOM 720 N GLN A 46 -4.872 -11.751 -11.163 1.00 0.00 N ATOM 721 CA GLN A 46 -4.779 -11.364 -12.592 1.00 0.00 C ATOM 722 C GLN A 46 -4.307 -9.915 -12.745 1.00 0.00 C ATOM 723 O GLN A 46 -5.086 -8.980 -12.761 1.00 0.00 O ATOM 724 CB GLN A 46 -6.164 -11.594 -13.200 1.00 0.00 C ATOM 725 CG GLN A 46 -6.591 -13.077 -13.006 1.00 0.00 C ATOM 726 CD GLN A 46 -6.900 -13.732 -14.358 1.00 0.00 C ATOM 727 OE1 GLN A 46 -7.772 -13.306 -15.089 1.00 0.00 O ATOM 728 NE2 GLN A 46 -6.206 -14.775 -14.728 1.00 0.00 N ATOM 0 H GLN A 46 -4.457 -12.659 -10.954 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.037 -11.966 -13.116 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.891 -10.933 -12.729 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.150 -11.347 -14.262 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.796 -13.627 -12.503 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.469 -13.127 -12.363 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.472 -15.140 -14.122 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.398 -15.224 -15.623 1.00 0.00 H new ATOM 737 N GLU A 47 -3.008 -9.800 -12.852 1.00 0.00 N ATOM 738 CA GLU A 47 -2.327 -8.476 -13.064 1.00 0.00 C ATOM 739 C GLU A 47 -2.975 -7.625 -14.183 1.00 0.00 C ATOM 740 O GLU A 47 -2.706 -6.443 -14.291 1.00 0.00 O ATOM 741 CB GLU A 47 -0.816 -8.692 -13.422 1.00 0.00 C ATOM 742 CG GLU A 47 -0.329 -10.133 -13.114 1.00 0.00 C ATOM 743 CD GLU A 47 1.212 -10.232 -13.193 1.00 0.00 C ATOM 744 OE1 GLU A 47 1.752 -9.762 -14.179 1.00 0.00 O ATOM 745 OE2 GLU A 47 1.763 -10.781 -12.254 1.00 0.00 O ATOM 0 H GLU A 47 -2.367 -10.592 -12.800 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.434 -7.933 -12.125 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.663 -8.479 -14.480 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.209 -7.980 -12.863 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.664 -10.428 -12.120 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.777 -10.830 -13.822 1.00 0.00 H new ATOM 752 N ALA A 48 -3.809 -8.256 -14.971 1.00 0.00 N ATOM 753 CA ALA A 48 -4.552 -7.546 -16.061 1.00 0.00 C ATOM 754 C ALA A 48 -5.872 -6.917 -15.604 1.00 0.00 C ATOM 755 O ALA A 48 -6.208 -5.845 -16.065 1.00 0.00 O ATOM 756 CB ALA A 48 -4.842 -8.542 -17.200 1.00 0.00 C ATOM 0 H ALA A 48 -4.011 -9.254 -14.904 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.913 -6.727 -16.392 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.383 -8.034 -17.999 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.902 -8.933 -17.590 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.447 -9.365 -16.819 1.00 0.00 H new ATOM 762 N LYS A 49 -6.578 -7.593 -14.732 1.00 0.00 N ATOM 763 CA LYS A 49 -7.821 -7.017 -14.128 1.00 0.00 C ATOM 764 C LYS A 49 -7.563 -6.505 -12.689 1.00 0.00 C ATOM 765 O LYS A 49 -7.481 -7.311 -11.780 1.00 0.00 O ATOM 766 CB LYS A 49 -8.874 -8.113 -14.139 1.00 0.00 C ATOM 767 CG LYS A 49 -9.272 -8.388 -15.607 1.00 0.00 C ATOM 768 CD LYS A 49 -9.694 -9.850 -15.754 1.00 0.00 C ATOM 769 CE LYS A 49 -8.660 -10.656 -16.568 1.00 0.00 C ATOM 770 NZ LYS A 49 -8.613 -10.180 -17.980 1.00 0.00 N ATOM 0 H LYS A 49 -6.343 -8.531 -14.408 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.159 -6.155 -14.704 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.484 -9.019 -13.675 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.746 -7.808 -13.560 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.090 -7.731 -15.903 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.434 -8.172 -16.269 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.811 -10.297 -14.767 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.666 -9.902 -16.245 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.675 -10.557 -16.113 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.917 -11.715 -16.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.206 -10.923 -18.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.576 -9.959 -18.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.023 -9.325 -18.039 1.00 0.00 H new ATOM 784 N PRO A 50 -7.436 -5.206 -12.502 1.00 0.00 N ATOM 785 CA PRO A 50 -7.455 -4.583 -11.148 1.00 0.00 C ATOM 786 C PRO A 50 -8.821 -4.644 -10.449 1.00 0.00 C ATOM 787 O PRO A 50 -8.893 -4.477 -9.246 1.00 0.00 O ATOM 788 CB PRO A 50 -7.007 -3.132 -11.344 1.00 0.00 C ATOM 789 CG PRO A 50 -6.924 -2.879 -12.874 1.00 0.00 C ATOM 790 CD PRO A 50 -7.250 -4.205 -13.587 1.00 0.00 C ATOM 0 HA PRO A 50 -6.791 -5.140 -10.487 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.714 -2.445 -10.878 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.039 -2.961 -10.873 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.628 -2.102 -13.172 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.929 -2.531 -13.151 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.151 -4.113 -14.194 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.442 -4.499 -14.257 1.00 0.00 H new ATOM 798 N GLU A 51 -9.858 -4.879 -11.212 1.00 0.00 N ATOM 799 CA GLU A 51 -11.245 -4.919 -10.639 1.00 0.00 C ATOM 800 C GLU A 51 -11.389 -5.981 -9.537 1.00 0.00 C ATOM 801 O GLU A 51 -12.156 -5.807 -8.609 1.00 0.00 O ATOM 802 CB GLU A 51 -12.256 -5.225 -11.764 1.00 0.00 C ATOM 803 CG GLU A 51 -11.699 -6.321 -12.694 1.00 0.00 C ATOM 804 CD GLU A 51 -12.825 -6.931 -13.543 1.00 0.00 C ATOM 805 OE1 GLU A 51 -13.380 -6.181 -14.333 1.00 0.00 O ATOM 806 OE2 GLU A 51 -13.069 -8.113 -13.361 1.00 0.00 O ATOM 0 H GLU A 51 -9.806 -5.047 -12.217 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.443 -3.944 -10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.203 -5.549 -11.334 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.459 -4.320 -12.337 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.933 -5.899 -13.345 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.220 -7.100 -12.101 1.00 0.00 H new ATOM 813 N GLU A 52 -10.643 -7.046 -9.675 1.00 0.00 N ATOM 814 CA GLU A 52 -10.686 -8.149 -8.664 1.00 0.00 C ATOM 815 C GLU A 52 -9.652 -7.929 -7.552 1.00 0.00 C ATOM 816 O GLU A 52 -9.796 -8.465 -6.471 1.00 0.00 O ATOM 817 CB GLU A 52 -10.414 -9.497 -9.375 1.00 0.00 C ATOM 818 CG GLU A 52 -9.285 -9.368 -10.412 1.00 0.00 C ATOM 819 CD GLU A 52 -8.989 -10.755 -11.017 1.00 0.00 C ATOM 820 OE1 GLU A 52 -8.366 -11.538 -10.318 1.00 0.00 O ATOM 821 OE2 GLU A 52 -9.403 -10.955 -12.148 1.00 0.00 O ATOM 0 H GLU A 52 -10.000 -7.202 -10.451 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.674 -8.160 -8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.146 -10.252 -8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.324 -9.841 -9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.575 -8.670 -11.197 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.388 -8.964 -9.942 1.00 0.00 H new ATOM 828 N ILE A 53 -8.646 -7.146 -7.849 1.00 0.00 N ATOM 829 CA ILE A 53 -7.606 -6.820 -6.822 1.00 0.00 C ATOM 830 C ILE A 53 -8.081 -5.618 -6.000 1.00 0.00 C ATOM 831 O ILE A 53 -8.756 -4.747 -6.516 1.00 0.00 O ATOM 832 CB ILE A 53 -6.267 -6.481 -7.534 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.023 -7.515 -8.675 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.107 -6.549 -6.497 1.00 0.00 C ATOM 835 CD1 ILE A 53 -4.673 -7.277 -9.369 1.00 0.00 C ATOM 0 H ILE A 53 -8.498 -6.716 -8.762 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.451 -7.673 -6.162 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.310 -5.478 -7.959 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.050 -8.525 -8.265 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.827 -7.447 -9.408 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.164 -6.312 -6.990 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.290 -5.830 -5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.054 -7.553 -6.076 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.535 -8.015 -10.159 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.657 -6.276 -9.801 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.868 -7.370 -8.640 1.00 0.00 H new ATOM 847 N GLY A 54 -7.717 -5.603 -4.743 1.00 0.00 N ATOM 848 CA GLY A 54 -8.167 -4.499 -3.846 1.00 0.00 C ATOM 849 C GLY A 54 -7.157 -3.355 -3.893 1.00 0.00 C ATOM 850 O GLY A 54 -7.239 -2.466 -4.719 1.00 0.00 O ATOM 0 H GLY A 54 -7.128 -6.308 -4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.149 -4.143 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.269 -4.866 -2.825 1.00 0.00 H new ATOM 854 N TRP A 55 -6.232 -3.443 -2.980 1.00 0.00 N ATOM 855 CA TRP A 55 -5.114 -2.458 -2.906 1.00 0.00 C ATOM 856 C TRP A 55 -3.950 -2.961 -3.757 1.00 0.00 C ATOM 857 O TRP A 55 -3.551 -4.104 -3.648 1.00 0.00 O ATOM 858 CB TRP A 55 -4.709 -2.315 -1.430 1.00 0.00 C ATOM 859 CG TRP A 55 -5.711 -1.355 -0.793 1.00 0.00 C ATOM 860 CD1 TRP A 55 -6.771 -1.702 -0.011 1.00 0.00 C ATOM 861 CD2 TRP A 55 -5.693 -0.016 -0.939 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.327 -0.536 0.261 1.00 0.00 N ATOM 863 CE2 TRP A 55 -6.748 0.539 -0.257 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.810 0.787 -1.635 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -6.930 1.907 -0.269 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -4.995 2.148 -1.643 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.051 2.708 -0.963 1.00 0.00 C ATOM 0 H TRP A 55 -6.202 -4.171 -2.266 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.414 -1.483 -3.290 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.727 -3.282 -0.928 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.693 -1.929 -1.343 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.080 -2.687 0.307 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.162 -0.465 0.842 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.980 0.348 -2.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.759 2.348 0.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.308 2.781 -2.186 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.191 3.779 -0.973 1.00 0.00 H new ATOM 878 N LEU A 56 -3.450 -2.078 -4.584 1.00 0.00 N ATOM 879 CA LEU A 56 -2.162 -2.317 -5.300 1.00 0.00 C ATOM 880 C LEU A 56 -1.122 -1.386 -4.673 1.00 0.00 C ATOM 881 O LEU A 56 -1.344 -0.194 -4.587 1.00 0.00 O ATOM 882 CB LEU A 56 -2.314 -1.975 -6.793 1.00 0.00 C ATOM 883 CG LEU A 56 -3.419 -2.831 -7.487 1.00 0.00 C ATOM 884 CD1 LEU A 56 -4.737 -2.029 -7.573 1.00 0.00 C ATOM 885 CD2 LEU A 56 -2.966 -3.232 -8.925 1.00 0.00 C ATOM 0 H LEU A 56 -3.891 -1.183 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.865 -3.362 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.557 -0.918 -6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.362 -2.135 -7.299 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.581 -3.732 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.501 -2.636 -8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.068 -1.764 -6.569 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.573 -1.120 -8.152 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.745 -3.829 -9.399 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.789 -2.333 -9.515 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.047 -3.815 -8.868 1.00 0.00 H new ATOM 897 N ASN A 57 -0.024 -1.957 -4.258 1.00 0.00 N ATOM 898 CA ASN A 57 1.126 -1.140 -3.774 1.00 0.00 C ATOM 899 C ASN A 57 2.171 -1.057 -4.893 1.00 0.00 C ATOM 900 O ASN A 57 2.624 -2.076 -5.381 1.00 0.00 O ATOM 901 CB ASN A 57 1.710 -1.823 -2.528 1.00 0.00 C ATOM 902 CG ASN A 57 2.617 -0.844 -1.769 1.00 0.00 C ATOM 903 OD1 ASN A 57 2.198 0.371 -1.560 1.00 0.00 O flip ATOM 904 ND2 ASN A 57 3.712 -1.176 -1.362 1.00 0.00 N flip ATOM 0 H ASN A 57 0.127 -2.965 -4.233 1.00 0.00 H new ATOM 0 HA ASN A 57 0.813 -0.129 -3.512 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.904 -2.163 -1.878 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.278 -2.706 -2.820 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.049 -2.126 -1.521 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.295 -0.505 -0.861 1.00 0.00 H new ATOM 911 N GLY A 58 2.526 0.147 -5.269 1.00 0.00 N ATOM 912 CA GLY A 58 3.617 0.336 -6.278 1.00 0.00 C ATOM 913 C GLY A 58 4.219 1.736 -6.152 1.00 0.00 C ATOM 914 O GLY A 58 3.990 2.422 -5.173 1.00 0.00 O ATOM 0 H GLY A 58 2.107 1.009 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.393 -0.415 -6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.221 0.192 -7.283 1.00 0.00 H new ATOM 918 N TYR A 59 4.977 2.118 -7.150 1.00 0.00 N ATOM 919 CA TYR A 59 5.661 3.445 -7.129 1.00 0.00 C ATOM 920 C TYR A 59 5.643 4.134 -8.503 1.00 0.00 C ATOM 921 O TYR A 59 5.631 3.484 -9.532 1.00 0.00 O ATOM 922 CB TYR A 59 7.108 3.216 -6.648 1.00 0.00 C ATOM 923 CG TYR A 59 7.882 2.279 -7.591 1.00 0.00 C ATOM 924 CD1 TYR A 59 7.660 0.915 -7.569 1.00 0.00 C ATOM 925 CD2 TYR A 59 8.815 2.787 -8.474 1.00 0.00 C ATOM 926 CE1 TYR A 59 8.357 0.077 -8.415 1.00 0.00 C ATOM 927 CE2 TYR A 59 9.513 1.949 -9.318 1.00 0.00 C ATOM 928 CZ TYR A 59 9.289 0.587 -9.297 1.00 0.00 C ATOM 929 OH TYR A 59 9.985 -0.250 -10.146 1.00 0.00 O ATOM 0 H TYR A 59 5.152 1.560 -7.986 1.00 0.00 H new ATOM 0 HA TYR A 59 5.129 4.114 -6.452 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.625 4.173 -6.582 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.094 2.791 -5.644 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.935 0.502 -6.884 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.000 3.851 -8.504 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.172 -0.987 -8.387 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.241 2.362 -10.001 1.00 0.00 H new ATOM 0 HH TYR A 59 10.598 0.280 -10.697 1.00 0.00 H new ATOM 939 N ASN A 60 5.641 5.442 -8.450 1.00 0.00 N ATOM 940 CA ASN A 60 5.561 6.296 -9.678 1.00 0.00 C ATOM 941 C ASN A 60 6.884 7.069 -9.815 1.00 0.00 C ATOM 942 O ASN A 60 7.097 8.074 -9.162 1.00 0.00 O ATOM 943 CB ASN A 60 4.375 7.313 -9.563 1.00 0.00 C ATOM 944 CG ASN A 60 3.370 6.909 -8.466 1.00 0.00 C ATOM 945 OD1 ASN A 60 3.710 6.774 -7.307 1.00 0.00 O ATOM 946 ND2 ASN A 60 2.122 6.706 -8.789 1.00 0.00 N ATOM 0 H ASN A 60 5.693 5.971 -7.579 1.00 0.00 H new ATOM 0 HA ASN A 60 5.391 5.665 -10.550 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.769 8.306 -9.346 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.859 7.378 -10.521 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.447 6.438 -8.073 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.822 6.815 -9.758 1.00 0.00 H new ATOM 953 N GLU A 61 7.750 6.577 -10.667 1.00 0.00 N ATOM 954 CA GLU A 61 9.063 7.265 -10.906 1.00 0.00 C ATOM 955 C GLU A 61 8.878 8.666 -11.521 1.00 0.00 C ATOM 956 O GLU A 61 9.753 9.506 -11.427 1.00 0.00 O ATOM 957 CB GLU A 61 9.916 6.407 -11.855 1.00 0.00 C ATOM 958 CG GLU A 61 10.346 5.112 -11.128 1.00 0.00 C ATOM 959 CD GLU A 61 11.746 4.663 -11.594 1.00 0.00 C ATOM 960 OE1 GLU A 61 11.935 4.586 -12.799 1.00 0.00 O ATOM 961 OE2 GLU A 61 12.555 4.419 -10.713 1.00 0.00 O ATOM 0 H GLU A 61 7.606 5.726 -11.210 1.00 0.00 H new ATOM 0 HA GLU A 61 9.558 7.386 -9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.347 6.162 -12.752 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.795 6.965 -12.177 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.352 5.279 -10.051 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.621 4.322 -11.324 1.00 0.00 H new ATOM 968 N THR A 62 7.736 8.864 -12.131 1.00 0.00 N ATOM 969 CA THR A 62 7.326 10.202 -12.676 1.00 0.00 C ATOM 970 C THR A 62 7.573 11.349 -11.686 1.00 0.00 C ATOM 971 O THR A 62 7.955 12.435 -12.083 1.00 0.00 O ATOM 972 CB THR A 62 5.825 10.140 -13.031 1.00 0.00 C ATOM 973 OG1 THR A 62 5.744 9.222 -14.113 1.00 0.00 O ATOM 974 CG2 THR A 62 5.298 11.476 -13.613 1.00 0.00 C ATOM 0 H THR A 62 7.045 8.129 -12.280 1.00 0.00 H new ATOM 0 HA THR A 62 7.935 10.410 -13.556 1.00 0.00 H new ATOM 0 HB THR A 62 5.257 9.887 -12.136 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.810 9.129 -14.394 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.238 11.378 -13.846 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.437 12.272 -12.881 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.848 11.719 -14.522 1.00 0.00 H new ATOM 982 N THR A 63 7.342 11.050 -10.434 1.00 0.00 N ATOM 983 CA THR A 63 7.534 12.052 -9.337 1.00 0.00 C ATOM 984 C THR A 63 8.461 11.445 -8.263 1.00 0.00 C ATOM 985 O THR A 63 8.731 12.064 -7.249 1.00 0.00 O ATOM 986 CB THR A 63 6.115 12.407 -8.779 1.00 0.00 C ATOM 987 OG1 THR A 63 6.312 13.029 -7.511 1.00 0.00 O ATOM 988 CG2 THR A 63 5.277 11.146 -8.482 1.00 0.00 C ATOM 0 H THR A 63 7.022 10.135 -10.117 1.00 0.00 H new ATOM 0 HA THR A 63 8.010 12.968 -9.688 1.00 0.00 H new ATOM 0 HB THR A 63 5.605 13.026 -9.517 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.272 13.142 -7.348 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.301 11.440 -8.097 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.147 10.571 -9.399 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.790 10.534 -7.740 1.00 0.00 H new ATOM 996 N GLY A 64 8.923 10.243 -8.532 1.00 0.00 N ATOM 997 CA GLY A 64 9.769 9.517 -7.535 1.00 0.00 C ATOM 998 C GLY A 64 9.051 9.367 -6.187 1.00 0.00 C ATOM 999 O GLY A 64 9.663 9.449 -5.140 1.00 0.00 O ATOM 0 H GLY A 64 8.749 9.736 -9.400 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.025 8.531 -7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.706 10.056 -7.391 1.00 0.00 H new ATOM 1003 N GLU A 65 7.765 9.153 -6.271 1.00 0.00 N ATOM 1004 CA GLU A 65 6.919 8.950 -5.055 1.00 0.00 C ATOM 1005 C GLU A 65 6.467 7.486 -4.984 1.00 0.00 C ATOM 1006 O GLU A 65 6.493 6.794 -5.984 1.00 0.00 O ATOM 1007 CB GLU A 65 5.700 9.894 -5.149 1.00 0.00 C ATOM 1008 CG GLU A 65 5.314 10.398 -3.743 1.00 0.00 C ATOM 1009 CD GLU A 65 6.352 11.435 -3.272 1.00 0.00 C ATOM 1010 OE1 GLU A 65 6.339 12.513 -3.847 1.00 0.00 O ATOM 1011 OE2 GLU A 65 7.098 11.091 -2.369 1.00 0.00 O ATOM 0 H GLU A 65 7.252 9.109 -7.152 1.00 0.00 H new ATOM 0 HA GLU A 65 7.485 9.177 -4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.933 10.740 -5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.858 9.370 -5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.320 10.845 -3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.273 9.563 -3.043 1.00 0.00 H new ATOM 1018 N ARG A 66 6.063 7.055 -3.815 1.00 0.00 N ATOM 1019 CA ARG A 66 5.541 5.657 -3.670 1.00 0.00 C ATOM 1020 C ARG A 66 4.499 5.556 -2.559 1.00 0.00 C ATOM 1021 O ARG A 66 4.468 6.348 -1.636 1.00 0.00 O ATOM 1022 CB ARG A 66 6.720 4.696 -3.359 1.00 0.00 C ATOM 1023 CG ARG A 66 7.207 4.889 -1.901 1.00 0.00 C ATOM 1024 CD ARG A 66 6.648 3.784 -0.976 1.00 0.00 C ATOM 1025 NE ARG A 66 6.507 4.344 0.404 1.00 0.00 N ATOM 1026 CZ ARG A 66 7.340 3.997 1.350 1.00 0.00 C ATOM 1027 NH1 ARG A 66 7.300 2.781 1.820 1.00 0.00 N ATOM 1028 NH2 ARG A 66 8.191 4.880 1.798 1.00 0.00 N ATOM 0 H ARG A 66 6.071 7.606 -2.957 1.00 0.00 H new ATOM 0 HA ARG A 66 5.061 5.378 -4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.405 3.664 -3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.541 4.883 -4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.297 4.874 -1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.893 5.867 -1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.683 3.435 -1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.316 2.923 -0.969 1.00 0.00 H new ATOM 0 HE ARG A 66 5.755 5.002 0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.624 2.113 1.449 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.945 2.498 2.558 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.199 5.823 1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.848 4.626 2.536 1.00 0.00 H new ATOM 1042 N GLY A 67 3.684 4.551 -2.709 1.00 0.00 N ATOM 1043 CA GLY A 67 2.620 4.243 -1.714 1.00 0.00 C ATOM 1044 C GLY A 67 1.588 3.298 -2.327 1.00 0.00 C ATOM 1045 O GLY A 67 1.886 2.535 -3.229 1.00 0.00 O ATOM 0 H GLY A 67 3.712 3.912 -3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.061 3.787 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.135 5.164 -1.391 1.00 0.00 H new ATOM 1049 N ASP A 68 0.393 3.392 -1.809 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.694 2.440 -2.187 1.00 0.00 C ATOM 1051 C ASP A 68 -1.740 3.195 -3.000 1.00 0.00 C ATOM 1052 O ASP A 68 -1.888 4.394 -2.861 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.315 1.869 -0.904 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.213 1.173 -0.094 1.00 0.00 C ATOM 1055 OD1 ASP A 68 0.501 1.894 0.587 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.146 -0.040 -0.208 1.00 0.00 O ATOM 0 H ASP A 68 0.119 4.100 -1.128 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.302 1.618 -2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.770 2.667 -0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.108 1.162 -1.150 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.439 2.464 -3.828 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.553 3.068 -4.613 1.00 0.00 C ATOM 1063 C PHE A 69 -4.605 1.980 -4.906 1.00 0.00 C ATOM 1064 O PHE A 69 -4.233 0.855 -5.182 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.985 3.640 -5.926 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.323 2.527 -6.763 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -1.058 2.063 -6.452 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.993 1.981 -7.841 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.473 1.067 -7.207 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.412 0.987 -8.597 1.00 0.00 C ATOM 1071 CZ PHE A 69 -1.151 0.528 -8.282 1.00 0.00 C ATOM 0 H PHE A 69 -2.284 1.470 -3.994 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.025 3.874 -4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.784 4.108 -6.501 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -2.255 4.418 -5.704 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.524 2.483 -5.612 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.981 2.337 -8.093 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.515 0.709 -6.957 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.945 0.567 -9.437 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.695 -0.251 -8.875 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.874 2.321 -4.840 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.954 1.367 -5.198 1.00 0.00 C ATOM 1083 C PRO A 70 -6.889 1.008 -6.690 1.00 0.00 C ATOM 1084 O PRO A 70 -6.454 1.806 -7.500 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.267 2.064 -4.828 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.911 3.500 -4.347 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.381 3.653 -4.414 1.00 0.00 C ATOM 0 HA PRO A 70 -6.858 0.422 -4.663 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.937 2.102 -5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.786 1.514 -4.043 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.397 4.245 -4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.267 3.661 -3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.094 4.429 -5.123 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.971 3.939 -3.445 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.327 -0.186 -6.996 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.393 -0.643 -8.419 1.00 0.00 C ATOM 1097 C GLY A 71 -8.706 -0.189 -9.073 1.00 0.00 C ATOM 1098 O GLY A 71 -9.389 -0.979 -9.700 1.00 0.00 O ATOM 0 H GLY A 71 -7.646 -0.873 -6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.546 -0.241 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.316 -1.729 -8.461 1.00 0.00 H new ATOM 1102 N THR A 72 -9.011 1.074 -8.905 1.00 0.00 N ATOM 1103 CA THR A 72 -10.272 1.651 -9.478 1.00 0.00 C ATOM 1104 C THR A 72 -10.047 3.078 -10.027 1.00 0.00 C ATOM 1105 O THR A 72 -10.996 3.806 -10.251 1.00 0.00 O ATOM 1106 CB THR A 72 -11.334 1.638 -8.349 1.00 0.00 C ATOM 1107 OG1 THR A 72 -12.585 1.878 -8.983 1.00 0.00 O ATOM 1108 CG2 THR A 72 -11.141 2.809 -7.355 1.00 0.00 C ATOM 0 H THR A 72 -8.435 1.739 -8.390 1.00 0.00 H new ATOM 0 HA THR A 72 -10.610 1.055 -10.326 1.00 0.00 H new ATOM 0 HB THR A 72 -11.264 0.693 -7.811 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.493 2.620 -9.617 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.907 2.760 -6.581 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.156 2.737 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.224 3.756 -7.888 1.00 0.00 H new ATOM 1116 N TYR A 73 -8.800 3.427 -10.223 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.450 4.782 -10.764 1.00 0.00 C ATOM 1118 C TYR A 73 -7.368 4.702 -11.845 1.00 0.00 C ATOM 1119 O TYR A 73 -7.023 5.706 -12.437 1.00 0.00 O ATOM 1120 CB TYR A 73 -7.949 5.668 -9.615 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.142 6.227 -8.832 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -10.005 7.132 -9.417 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -9.365 5.832 -7.529 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -11.076 7.634 -8.709 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -10.436 6.332 -6.821 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.299 7.237 -7.405 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.369 7.739 -6.694 1.00 0.00 O ATOM 0 H TYR A 73 -7.999 2.826 -10.030 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.347 5.206 -11.216 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.306 5.090 -8.952 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.346 6.486 -10.010 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.840 7.449 -10.436 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.695 5.126 -7.061 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.744 8.342 -9.177 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.601 6.014 -5.802 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.375 7.351 -5.794 1.00 0.00 H new ATOM 1137 N VAL A 74 -6.867 3.516 -12.067 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.805 3.313 -13.099 1.00 0.00 C ATOM 1139 C VAL A 74 -6.367 2.446 -14.236 1.00 0.00 C ATOM 1140 O VAL A 74 -7.556 2.200 -14.308 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.583 2.637 -12.407 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.144 3.489 -11.170 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -4.939 1.183 -11.974 1.00 0.00 C ATOM 0 H VAL A 74 -7.150 2.670 -11.573 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.484 4.260 -13.532 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.755 2.586 -13.114 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.289 3.015 -10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.866 4.491 -11.498 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.970 3.555 -10.462 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.075 0.725 -11.492 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.775 1.206 -11.274 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.217 0.600 -12.852 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.479 2.015 -15.090 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.846 1.029 -16.143 1.00 0.00 C ATOM 1155 C GLU A 75 -4.600 0.189 -16.401 1.00 0.00 C ATOM 1156 O GLU A 75 -3.620 0.708 -16.894 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.266 1.784 -17.426 1.00 0.00 C ATOM 1158 CG GLU A 75 -7.461 1.076 -18.093 1.00 0.00 C ATOM 1159 CD GLU A 75 -7.715 1.683 -19.487 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -7.884 2.891 -19.543 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -7.729 0.904 -20.426 1.00 0.00 O ATOM 0 H GLU A 75 -4.502 2.309 -15.102 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.680 0.398 -15.836 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.534 2.812 -17.181 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.427 1.830 -18.121 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.260 0.008 -18.182 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.351 1.182 -17.472 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.663 -1.076 -16.065 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.564 -2.008 -16.457 1.00 0.00 C ATOM 1170 C TYR A 76 -3.240 -1.819 -17.950 1.00 0.00 C ATOM 1171 O TYR A 76 -4.134 -1.595 -18.745 1.00 0.00 O ATOM 1172 CB TYR A 76 -4.024 -3.455 -16.189 1.00 0.00 C ATOM 1173 CG TYR A 76 -3.150 -4.418 -16.994 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.882 -4.737 -16.568 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.634 -4.973 -18.158 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -1.103 -5.600 -17.299 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.858 -5.838 -18.895 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.588 -6.162 -18.471 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.839 -7.037 -19.229 1.00 0.00 O ATOM 0 H TYR A 76 -5.426 -1.501 -15.538 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.666 -1.799 -15.875 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.951 -3.681 -15.125 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.071 -3.574 -16.469 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.497 -4.307 -15.655 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.630 -4.727 -18.495 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.107 -5.843 -16.959 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.246 -6.264 -19.808 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.358 -7.319 -20.011 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.978 -1.916 -18.279 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.563 -1.826 -19.714 1.00 0.00 C ATOM 1191 C ILE A 77 -0.803 -3.073 -20.161 1.00 0.00 C ATOM 1192 O ILE A 77 -1.184 -3.677 -21.147 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.676 -0.558 -19.914 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.207 -0.254 -18.666 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.591 0.661 -20.179 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.414 0.613 -19.079 1.00 0.00 C ATOM 0 H ILE A 77 -1.215 -2.054 -17.616 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.461 -1.753 -20.327 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.014 -0.748 -20.759 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.382 0.264 -17.909 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.553 -1.186 -18.218 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.979 1.552 -20.320 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.184 0.483 -21.076 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.256 0.809 -19.328 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.028 0.823 -18.203 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.009 0.079 -19.820 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.059 1.551 -19.506 1.00 0.00 H new ATOM 1208 N GLY A 78 0.232 -3.435 -19.446 1.00 0.00 N ATOM 1209 CA GLY A 78 1.075 -4.581 -19.901 1.00 0.00 C ATOM 1210 C GLY A 78 1.718 -5.299 -18.727 1.00 0.00 C ATOM 1211 O GLY A 78 2.054 -4.699 -17.725 1.00 0.00 O ATOM 0 H GLY A 78 0.527 -2.992 -18.576 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.462 -5.283 -20.467 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.850 -4.218 -20.576 1.00 0.00 H new ATOM 1215 N ARG A 79 1.855 -6.584 -18.919 1.00 0.00 N ATOM 1216 CA ARG A 79 2.512 -7.459 -17.906 1.00 0.00 C ATOM 1217 C ARG A 79 3.583 -8.330 -18.580 1.00 0.00 C ATOM 1218 O ARG A 79 3.317 -9.112 -19.471 1.00 0.00 O ATOM 1219 CB ARG A 79 1.383 -8.316 -17.209 1.00 0.00 C ATOM 1220 CG ARG A 79 1.150 -9.745 -17.779 1.00 0.00 C ATOM 1221 CD ARG A 79 0.672 -9.714 -19.254 1.00 0.00 C ATOM 1222 NE ARG A 79 -0.805 -9.929 -19.318 1.00 0.00 N ATOM 1223 CZ ARG A 79 -1.405 -10.093 -20.472 1.00 0.00 C ATOM 1224 NH1 ARG A 79 -0.769 -9.841 -21.587 1.00 0.00 N ATOM 1225 NH2 ARG A 79 -2.639 -10.513 -20.478 1.00 0.00 N ATOM 0 H ARG A 79 1.532 -7.073 -19.754 1.00 0.00 H new ATOM 0 HA ARG A 79 3.027 -6.872 -17.146 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.626 -8.406 -16.150 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.445 -7.764 -17.275 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.075 -10.318 -17.710 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.409 -10.262 -17.169 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.928 -8.757 -19.708 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.185 -10.486 -19.827 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.351 -9.948 -18.457 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.197 -9.516 -21.561 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.239 -9.970 -22.483 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.116 -10.706 -19.597 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.127 -10.648 -21.363 1.00 0.00 H new ATOM 1239 N LYS A 80 4.794 -8.152 -18.128 1.00 0.00 N ATOM 1240 CA LYS A 80 5.933 -8.965 -18.661 1.00 0.00 C ATOM 1241 C LYS A 80 7.230 -8.605 -17.935 1.00 0.00 C ATOM 1242 O LYS A 80 7.331 -7.572 -17.300 1.00 0.00 O ATOM 1243 CB LYS A 80 6.127 -8.712 -20.196 1.00 0.00 C ATOM 1244 CG LYS A 80 5.790 -7.255 -20.584 1.00 0.00 C ATOM 1245 CD LYS A 80 6.322 -6.947 -22.006 1.00 0.00 C ATOM 1246 CE LYS A 80 5.390 -5.925 -22.695 1.00 0.00 C ATOM 1247 NZ LYS A 80 5.950 -5.502 -24.012 1.00 0.00 N ATOM 0 H LYS A 80 5.049 -7.475 -17.408 1.00 0.00 H new ATOM 0 HA LYS A 80 5.697 -10.016 -18.495 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.158 -8.933 -20.473 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.492 -9.395 -20.760 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.711 -7.101 -20.549 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.233 -6.567 -19.864 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.335 -6.550 -21.949 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.372 -7.864 -22.594 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.403 -6.365 -22.839 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.260 -5.054 -22.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.308 -4.816 -24.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.881 -5.062 -23.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.051 -6.333 -24.629 1.00 0.00 H new ATOM 1261 N LYS A 81 8.175 -9.498 -18.071 1.00 0.00 N ATOM 1262 CA LYS A 81 9.570 -9.245 -17.597 1.00 0.00 C ATOM 1263 C LYS A 81 10.217 -8.131 -18.438 1.00 0.00 C ATOM 1264 O LYS A 81 10.919 -8.387 -19.399 1.00 0.00 O ATOM 1265 CB LYS A 81 10.377 -10.572 -17.706 1.00 0.00 C ATOM 1266 CG LYS A 81 10.053 -11.334 -19.025 1.00 0.00 C ATOM 1267 CD LYS A 81 11.205 -12.302 -19.380 1.00 0.00 C ATOM 1268 CE LYS A 81 12.195 -11.609 -20.334 1.00 0.00 C ATOM 1269 NZ LYS A 81 13.327 -12.527 -20.655 1.00 0.00 N ATOM 0 H LYS A 81 8.036 -10.413 -18.500 1.00 0.00 H new ATOM 0 HA LYS A 81 9.564 -8.914 -16.558 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.444 -10.354 -17.664 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.148 -11.209 -16.852 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.122 -11.890 -18.913 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.903 -10.622 -19.837 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.720 -12.617 -18.472 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.805 -13.202 -19.847 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.684 -11.316 -21.251 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.576 -10.696 -19.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.989 -12.050 -21.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.823 -12.786 -19.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.959 -13.386 -21.111 1.00 0.00 H new ATOM 1283 N ILE A 82 9.949 -6.916 -18.030 1.00 0.00 N ATOM 1284 CA ILE A 82 10.567 -5.728 -18.706 1.00 0.00 C ATOM 1285 C ILE A 82 11.904 -5.360 -18.041 1.00 0.00 C ATOM 1286 O ILE A 82 11.982 -5.228 -16.836 1.00 0.00 O ATOM 1287 CB ILE A 82 9.573 -4.525 -18.621 1.00 0.00 C ATOM 1288 CG1 ILE A 82 8.394 -4.757 -19.607 1.00 0.00 C ATOM 1289 CG2 ILE A 82 10.294 -3.198 -19.016 1.00 0.00 C ATOM 1290 CD1 ILE A 82 7.155 -3.941 -19.165 1.00 0.00 C ATOM 0 H ILE A 82 9.326 -6.692 -17.254 1.00 0.00 H new ATOM 0 HA ILE A 82 10.766 -5.970 -19.750 1.00 0.00 H new ATOM 0 HB ILE A 82 9.204 -4.450 -17.598 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.690 -4.464 -20.614 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.145 -5.818 -19.644 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.590 -2.368 -18.952 1.00 0.00 H new ATOM 0 HG22 ILE A 82 11.127 -3.020 -18.336 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.670 -3.278 -20.036 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.337 -4.113 -19.865 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.850 -4.254 -18.167 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.404 -2.880 -19.152 1.00 0.00 H new ATOM 1302 N SER A 83 12.910 -5.204 -18.868 1.00 0.00 N ATOM 1303 CA SER A 83 14.276 -4.815 -18.385 1.00 0.00 C ATOM 1304 C SER A 83 14.951 -3.873 -19.408 1.00 0.00 C ATOM 1305 O SER A 83 14.539 -3.832 -20.550 1.00 0.00 O ATOM 1306 CB SER A 83 15.125 -6.096 -18.215 1.00 0.00 C ATOM 1307 OG SER A 83 15.415 -6.180 -16.823 1.00 0.00 O ATOM 0 H SER A 83 12.841 -5.332 -19.878 1.00 0.00 H new ATOM 0 HA SER A 83 14.194 -4.293 -17.432 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.580 -6.976 -18.556 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.041 -6.041 -18.804 1.00 0.00 H new ATOM 0 HG SER A 83 15.954 -6.980 -16.649 1.00 0.00 H new ATOM 1313 N PRO A 84 15.967 -3.150 -18.988 1.00 0.00 N ATOM 1314 CA PRO A 84 16.743 -2.279 -19.912 1.00 0.00 C ATOM 1315 C PRO A 84 17.375 -3.092 -21.061 1.00 0.00 C ATOM 1316 O PRO A 84 17.877 -4.161 -20.757 1.00 0.00 O ATOM 1317 CB PRO A 84 17.807 -1.584 -19.048 1.00 0.00 C ATOM 1318 CG PRO A 84 17.679 -2.160 -17.607 1.00 0.00 C ATOM 1319 CD PRO A 84 16.462 -3.105 -17.584 1.00 0.00 C ATOM 1320 OXT PRO A 84 17.311 -2.596 -22.173 1.00 0.00 O ATOM 0 HA PRO A 84 16.099 -1.547 -20.399 1.00 0.00 H new ATOM 0 HB2 PRO A 84 18.805 -1.765 -19.447 1.00 0.00 H new ATOM 0 HB3 PRO A 84 17.656 -0.505 -19.046 1.00 0.00 H new ATOM 0 HG2 PRO A 84 18.585 -2.698 -17.329 1.00 0.00 H new ATOM 0 HG3 PRO A 84 17.551 -1.355 -16.884 1.00 0.00 H new ATOM 0 HD2 PRO A 84 16.743 -4.099 -17.235 1.00 0.00 H new ATOM 0 HD3 PRO A 84 15.691 -2.736 -16.908 1.00 0.00 H new TER 1328 PRO A 84