USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 482 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 1 ARG N :NH3+ -129:sc= -0.0108 (180deg=-0.139) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -132:sc= -0.0508 (180deg=-0.679) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0124 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 145:sc= -0.0284 (180deg=-0.544) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ -123:sc= -0.0133 (180deg=-0.133) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ -140:sc= -0.0498 (180deg=-0.696) USER MOD Single : B 9 SER OG : rot 180:sc= -0.0149 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ 146:sc= -0.0395 (180deg=-0.548) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 THR OG1 : rot 180:sc= -0.104 USER MOD Single : B 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -30.913 -7.596 -19.977 1.00 0.00 N ATOM 2 CA ARG A 1 -30.150 -8.666 -19.272 1.00 0.00 C ATOM 3 C ARG A 1 -29.478 -9.594 -20.287 1.00 0.00 C ATOM 4 O ARG A 1 -30.130 -10.375 -20.954 1.00 0.00 O ATOM 5 CB ARG A 1 -31.197 -9.428 -18.458 1.00 0.00 C ATOM 6 CG ARG A 1 -31.580 -8.609 -17.224 1.00 0.00 C ATOM 7 CD ARG A 1 -33.101 -8.617 -17.057 1.00 0.00 C ATOM 8 NE ARG A 1 -33.346 -7.984 -15.731 1.00 0.00 N ATOM 9 CZ ARG A 1 -34.542 -7.566 -15.418 1.00 0.00 C ATOM 10 NH1 ARG A 1 -35.030 -6.501 -15.991 1.00 0.00 N ATOM 11 NH2 ARG A 1 -35.248 -8.213 -14.532 1.00 0.00 N ATOM 0 H1 ARG A 1 -30.644 -6.668 -19.594 1.00 0.00 H new ATOM 0 H2 ARG A 1 -30.696 -7.627 -20.994 1.00 0.00 H new ATOM 0 H3 ARG A 1 -31.932 -7.746 -19.836 1.00 0.00 H new ATOM 0 HA ARG A 1 -29.359 -8.261 -18.641 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -32.079 -9.619 -19.069 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -30.802 -10.398 -18.156 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -31.104 -9.025 -16.336 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -31.220 -7.585 -17.328 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -33.589 -8.060 -17.857 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -33.496 -9.632 -17.089 1.00 0.00 H new ATOM 0 HE ARG A 1 -32.579 -7.877 -15.067 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -34.477 -5.996 -16.683 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -35.965 -6.174 -15.747 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -34.865 -9.046 -14.084 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -36.183 -7.886 -14.287 1.00 0.00 H new ATOM 27 N MET A 2 -28.182 -9.517 -20.409 1.00 0.00 N ATOM 28 CA MET A 2 -27.471 -10.396 -21.382 1.00 0.00 C ATOM 29 C MET A 2 -26.410 -11.233 -20.662 1.00 0.00 C ATOM 30 O MET A 2 -25.523 -10.708 -20.018 1.00 0.00 O ATOM 31 CB MET A 2 -26.815 -9.437 -22.375 1.00 0.00 C ATOM 32 CG MET A 2 -27.893 -8.770 -23.230 1.00 0.00 C ATOM 33 SD MET A 2 -27.576 -9.113 -24.979 1.00 0.00 S ATOM 34 CE MET A 2 -29.194 -8.602 -25.607 1.00 0.00 C ATOM 0 H MET A 2 -27.584 -8.884 -19.878 1.00 0.00 H new ATOM 0 HA MET A 2 -28.145 -11.096 -21.876 1.00 0.00 H new ATOM 0 HB2 MET A 2 -26.240 -8.681 -21.840 1.00 0.00 H new ATOM 0 HB3 MET A 2 -26.115 -9.979 -23.011 1.00 0.00 H new ATOM 0 HG2 MET A 2 -28.878 -9.143 -22.948 1.00 0.00 H new ATOM 0 HG3 MET A 2 -27.897 -7.694 -23.055 1.00 0.00 H new ATOM 0 HE1 MET A 2 -29.222 -8.732 -26.689 1.00 0.00 H new ATOM 0 HE2 MET A 2 -29.972 -9.212 -25.148 1.00 0.00 H new ATOM 0 HE3 MET A 2 -29.364 -7.553 -25.363 1.00 0.00 H new ATOM 44 N LYS A 3 -26.493 -12.531 -20.765 1.00 0.00 N ATOM 45 CA LYS A 3 -25.489 -13.400 -20.086 1.00 0.00 C ATOM 46 C LYS A 3 -24.839 -14.348 -21.097 1.00 0.00 C ATOM 47 O LYS A 3 -25.495 -15.180 -21.693 1.00 0.00 O ATOM 48 CB LYS A 3 -26.287 -14.189 -19.046 1.00 0.00 C ATOM 49 CG LYS A 3 -26.438 -13.352 -17.775 1.00 0.00 C ATOM 50 CD LYS A 3 -27.255 -14.132 -16.744 1.00 0.00 C ATOM 51 CE LYS A 3 -28.591 -13.423 -16.508 1.00 0.00 C ATOM 52 NZ LYS A 3 -29.336 -14.309 -15.571 1.00 0.00 N ATOM 0 H LYS A 3 -27.213 -13.028 -21.290 1.00 0.00 H new ATOM 0 HA LYS A 3 -24.684 -12.823 -19.630 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -27.269 -14.446 -19.444 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -25.780 -15.127 -18.818 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -25.456 -13.109 -17.368 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -26.930 -12.407 -18.005 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -27.428 -15.149 -17.096 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -26.701 -14.208 -15.808 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -28.442 -12.432 -16.080 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -29.137 -13.288 -17.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -30.264 -13.890 -15.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -29.469 -15.243 -16.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -28.796 -14.414 -14.689 1.00 0.00 H new ATOM 66 N LYS A 4 -23.555 -14.229 -21.296 1.00 0.00 N ATOM 67 CA LYS A 4 -22.864 -15.124 -22.269 1.00 0.00 C ATOM 68 C LYS A 4 -21.346 -14.974 -22.140 1.00 0.00 C ATOM 69 O LYS A 4 -20.846 -14.464 -21.158 1.00 0.00 O ATOM 70 CB LYS A 4 -23.339 -14.661 -23.650 1.00 0.00 C ATOM 71 CG LYS A 4 -23.386 -13.132 -23.701 1.00 0.00 C ATOM 72 CD LYS A 4 -22.727 -12.643 -24.993 1.00 0.00 C ATOM 73 CE LYS A 4 -23.757 -11.888 -25.837 1.00 0.00 C ATOM 74 NZ LYS A 4 -23.250 -11.980 -27.233 1.00 0.00 N ATOM 0 H LYS A 4 -22.954 -13.551 -20.827 1.00 0.00 H new ATOM 0 HA LYS A 4 -23.094 -16.175 -22.096 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -22.667 -15.038 -24.420 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -24.327 -15.071 -23.860 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -24.419 -12.788 -23.655 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -22.871 -12.713 -22.837 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -21.884 -11.992 -24.760 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -22.331 -13.489 -25.555 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -24.747 -12.335 -25.746 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -23.846 -10.850 -25.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -23.903 -11.485 -27.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -22.309 -11.540 -27.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -23.182 -12.979 -27.513 1.00 0.00 H new ATOM 88 N LYS A 5 -20.612 -15.421 -23.128 1.00 0.00 N ATOM 89 CA LYS A 5 -19.120 -15.318 -23.076 1.00 0.00 C ATOM 90 C LYS A 5 -18.608 -15.581 -21.657 1.00 0.00 C ATOM 91 O LYS A 5 -19.285 -16.174 -20.842 1.00 0.00 O ATOM 92 CB LYS A 5 -18.793 -13.888 -23.528 1.00 0.00 C ATOM 93 CG LYS A 5 -19.148 -12.878 -22.429 1.00 0.00 C ATOM 94 CD LYS A 5 -20.557 -12.335 -22.669 1.00 0.00 C ATOM 95 CE LYS A 5 -20.468 -10.917 -23.238 1.00 0.00 C ATOM 96 NZ LYS A 5 -19.984 -10.079 -22.106 1.00 0.00 N ATOM 0 H LYS A 5 -20.983 -15.855 -23.973 1.00 0.00 H new ATOM 0 HA LYS A 5 -18.639 -16.058 -23.716 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.733 -13.811 -23.771 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -19.346 -13.653 -24.437 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -19.093 -13.355 -21.451 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -18.428 -12.060 -22.426 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -21.095 -12.983 -23.361 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -21.120 -12.329 -21.736 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.782 -10.873 -24.084 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -21.438 -10.574 -23.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.577 -9.229 -22.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -20.038 -10.625 -21.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.998 -9.798 -22.279 1.00 0.00 H new ATOM 110 N ASP A 6 -17.415 -15.144 -21.357 1.00 0.00 N ATOM 111 CA ASP A 6 -16.860 -15.369 -19.991 1.00 0.00 C ATOM 112 C ASP A 6 -15.398 -14.919 -19.933 1.00 0.00 C ATOM 113 O ASP A 6 -14.884 -14.324 -20.861 1.00 0.00 O ATOM 114 CB ASP A 6 -16.967 -16.877 -19.764 1.00 0.00 C ATOM 115 CG ASP A 6 -17.854 -17.149 -18.547 1.00 0.00 C ATOM 116 OD1 ASP A 6 -19.016 -16.784 -18.593 1.00 0.00 O ATOM 117 OD2 ASP A 6 -17.354 -17.718 -17.590 1.00 0.00 O ATOM 0 H ASP A 6 -16.801 -14.641 -21.998 1.00 0.00 H new ATOM 0 HA ASP A 6 -17.396 -14.803 -19.229 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.385 -17.360 -20.647 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -15.976 -17.303 -19.607 1.00 0.00 H new ATOM 122 N GLU A 7 -14.723 -15.198 -18.851 1.00 0.00 N ATOM 123 CA GLU A 7 -13.296 -14.786 -18.736 1.00 0.00 C ATOM 124 C GLU A 7 -12.412 -16.008 -18.478 1.00 0.00 C ATOM 125 O GLU A 7 -12.867 -17.134 -18.511 1.00 0.00 O ATOM 126 CB GLU A 7 -13.253 -13.831 -17.542 1.00 0.00 C ATOM 127 CG GLU A 7 -13.139 -12.391 -18.043 1.00 0.00 C ATOM 128 CD GLU A 7 -12.994 -11.445 -16.848 1.00 0.00 C ATOM 129 OE1 GLU A 7 -13.291 -11.868 -15.744 1.00 0.00 O ATOM 130 OE2 GLU A 7 -12.589 -10.314 -17.060 1.00 0.00 O ATOM 0 H GLU A 7 -15.098 -15.693 -18.042 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.928 -14.315 -19.647 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.153 -13.947 -16.938 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.405 -14.072 -16.901 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.279 -12.292 -18.705 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.022 -12.126 -18.625 1.00 0.00 H new ATOM 137 N GLY A 8 -11.150 -15.797 -18.222 1.00 0.00 N ATOM 138 CA GLY A 8 -10.239 -16.947 -17.962 1.00 0.00 C ATOM 139 C GLY A 8 -9.105 -16.503 -17.037 1.00 0.00 C ATOM 140 O GLY A 8 -9.265 -16.429 -15.835 1.00 0.00 O ATOM 0 H GLY A 8 -10.710 -14.877 -18.182 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.793 -17.768 -17.507 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.831 -17.320 -18.901 1.00 0.00 H new ATOM 144 N SER A 9 -7.959 -16.207 -17.586 1.00 0.00 N ATOM 145 CA SER A 9 -6.818 -15.766 -16.739 1.00 0.00 C ATOM 146 C SER A 9 -5.675 -15.249 -17.617 1.00 0.00 C ATOM 147 O SER A 9 -5.692 -15.393 -18.824 1.00 0.00 O ATOM 148 CB SER A 9 -6.386 -17.014 -15.971 1.00 0.00 C ATOM 149 OG SER A 9 -6.620 -18.164 -16.775 1.00 0.00 O ATOM 0 H SER A 9 -7.765 -16.252 -18.586 1.00 0.00 H new ATOM 0 HA SER A 9 -7.093 -14.952 -16.068 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.330 -16.947 -15.710 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.941 -17.090 -15.036 1.00 0.00 H new ATOM 0 HG SER A 9 -6.343 -18.967 -16.286 1.00 0.00 H new ATOM 155 N TYR A 10 -4.683 -14.647 -17.021 1.00 0.00 N ATOM 156 CA TYR A 10 -3.539 -14.123 -17.823 1.00 0.00 C ATOM 157 C TYR A 10 -4.018 -13.010 -18.760 1.00 0.00 C ATOM 158 O TYR A 10 -3.299 -12.571 -19.635 1.00 0.00 O ATOM 159 CB TYR A 10 -3.035 -15.322 -18.626 1.00 0.00 C ATOM 160 CG TYR A 10 -1.525 -15.318 -18.641 1.00 0.00 C ATOM 161 CD1 TYR A 10 -0.829 -14.105 -18.700 1.00 0.00 C ATOM 162 CD2 TYR A 10 -0.822 -16.527 -18.596 1.00 0.00 C ATOM 163 CE1 TYR A 10 0.572 -14.102 -18.713 1.00 0.00 C ATOM 164 CE2 TYR A 10 0.578 -16.525 -18.610 1.00 0.00 C ATOM 165 CZ TYR A 10 1.274 -15.312 -18.669 1.00 0.00 C ATOM 166 OH TYR A 10 2.654 -15.308 -18.683 1.00 0.00 O ATOM 0 H TYR A 10 -4.614 -14.495 -16.015 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.756 -13.696 -17.197 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.403 -16.249 -18.186 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.420 -15.279 -19.645 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.372 -13.172 -18.735 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.360 -17.462 -18.550 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.110 -13.167 -18.757 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.120 -17.458 -18.575 1.00 0.00 H new ATOM 0 HH TYR A 10 2.984 -16.230 -18.646 1.00 0.00 H new ATOM 176 N ASP A 11 -5.229 -12.555 -18.585 1.00 0.00 N ATOM 177 CA ASP A 11 -5.753 -11.476 -19.466 1.00 0.00 C ATOM 178 C ASP A 11 -5.036 -10.156 -19.173 1.00 0.00 C ATOM 179 O ASP A 11 -4.795 -9.359 -20.059 1.00 0.00 O ATOM 180 CB ASP A 11 -7.238 -11.369 -19.120 1.00 0.00 C ATOM 181 CG ASP A 11 -7.396 -10.715 -17.745 1.00 0.00 C ATOM 182 OD1 ASP A 11 -7.131 -11.384 -16.760 1.00 0.00 O ATOM 183 OD2 ASP A 11 -7.779 -9.558 -17.702 1.00 0.00 O ATOM 0 H ASP A 11 -5.877 -12.885 -17.870 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.595 -11.693 -20.522 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.757 -10.780 -19.876 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.694 -12.359 -19.118 1.00 0.00 H new ATOM 188 N LEU A 12 -4.694 -9.917 -17.936 1.00 0.00 N ATOM 189 CA LEU A 12 -3.993 -8.650 -17.586 1.00 0.00 C ATOM 190 C LEU A 12 -2.921 -8.330 -18.632 1.00 0.00 C ATOM 191 O LEU A 12 -2.480 -9.191 -19.366 1.00 0.00 O ATOM 192 CB LEU A 12 -3.351 -8.915 -16.224 1.00 0.00 C ATOM 193 CG LEU A 12 -4.362 -8.617 -15.116 1.00 0.00 C ATOM 194 CD1 LEU A 12 -5.694 -9.295 -15.442 1.00 0.00 C ATOM 195 CD2 LEU A 12 -3.831 -9.154 -13.785 1.00 0.00 C ATOM 0 H LEU A 12 -4.870 -10.546 -17.152 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.672 -7.798 -17.558 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.022 -9.952 -16.161 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.466 -8.292 -16.100 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.512 -7.540 -15.042 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.414 -9.082 -14.652 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.073 -8.915 -16.390 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.545 -10.372 -15.517 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.551 -8.942 -12.994 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.682 -10.231 -13.861 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.882 -8.672 -13.551 1.00 0.00 H new ATOM 207 N GLY A 13 -2.499 -7.097 -18.704 1.00 0.00 N ATOM 208 CA GLY A 13 -1.458 -6.725 -19.703 1.00 0.00 C ATOM 209 C GLY A 13 -0.098 -6.618 -19.009 1.00 0.00 C ATOM 210 O GLY A 13 0.834 -7.323 -19.338 1.00 0.00 O ATOM 0 H GLY A 13 -2.830 -6.333 -18.115 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.416 -7.472 -20.495 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.714 -5.776 -20.174 1.00 0.00 H new ATOM 214 N LYS A 14 0.022 -5.740 -18.050 1.00 0.00 N ATOM 215 CA LYS A 14 1.322 -5.592 -17.338 1.00 0.00 C ATOM 216 C LYS A 14 1.154 -4.691 -16.107 1.00 0.00 C ATOM 217 O LYS A 14 0.577 -5.091 -15.115 1.00 0.00 O ATOM 218 CB LYS A 14 2.264 -4.959 -18.364 1.00 0.00 C ATOM 219 CG LYS A 14 3.662 -4.817 -17.757 1.00 0.00 C ATOM 220 CD LYS A 14 4.341 -6.187 -17.712 1.00 0.00 C ATOM 221 CE LYS A 14 5.682 -6.117 -18.446 1.00 0.00 C ATOM 222 NZ LYS A 14 6.070 -7.536 -18.677 1.00 0.00 N ATOM 0 H LYS A 14 -0.723 -5.121 -17.730 1.00 0.00 H new ATOM 0 HA LYS A 14 1.709 -6.543 -16.972 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.307 -5.575 -19.262 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.886 -3.982 -18.666 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.258 -4.123 -18.349 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.593 -4.400 -16.752 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.496 -6.494 -16.678 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.700 -6.938 -18.174 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.589 -5.575 -19.387 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.431 -5.595 -17.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.981 -7.570 -19.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.158 -8.025 -17.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.342 -8.006 -19.252 1.00 0.00 H new ATOM 236 N LYS A 15 1.649 -3.484 -16.154 1.00 0.00 N ATOM 237 CA LYS A 15 1.507 -2.576 -14.979 1.00 0.00 C ATOM 238 C LYS A 15 1.140 -1.165 -15.443 1.00 0.00 C ATOM 239 O LYS A 15 1.805 -0.599 -16.286 1.00 0.00 O ATOM 240 CB LYS A 15 2.881 -2.581 -14.309 1.00 0.00 C ATOM 241 CG LYS A 15 3.183 -3.980 -13.770 1.00 0.00 C ATOM 242 CD LYS A 15 4.597 -4.009 -13.184 1.00 0.00 C ATOM 243 CE LYS A 15 4.524 -3.824 -11.667 1.00 0.00 C ATOM 244 NZ LYS A 15 5.382 -4.906 -11.108 1.00 0.00 N ATOM 0 H LYS A 15 2.144 -3.088 -16.953 1.00 0.00 H new ATOM 0 HA LYS A 15 0.720 -2.900 -14.298 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.647 -2.283 -15.025 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.904 -1.854 -13.497 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.456 -4.251 -13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.094 -4.716 -14.569 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.082 -4.956 -13.423 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.203 -3.219 -13.629 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.886 -2.840 -11.371 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.498 -3.907 -11.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.384 -4.846 -10.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.009 -5.831 -11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.354 -4.797 -11.462 1.00 0.00 H new ATOM 258 N PRO A 16 0.088 -0.640 -14.873 1.00 0.00 N ATOM 259 CA PRO A 16 -0.381 0.722 -15.233 1.00 0.00 C ATOM 260 C PRO A 16 0.604 1.780 -14.733 1.00 0.00 C ATOM 261 O PRO A 16 0.688 2.067 -13.555 1.00 0.00 O ATOM 262 CB PRO A 16 -1.727 0.838 -14.524 1.00 0.00 C ATOM 263 CG PRO A 16 -1.645 -0.130 -13.387 1.00 0.00 C ATOM 264 CD PRO A 16 -0.757 -1.258 -13.843 1.00 0.00 C ATOM 0 HA PRO A 16 -0.462 0.878 -16.309 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.900 1.853 -14.167 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.550 0.591 -15.195 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.235 0.350 -12.498 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.635 -0.500 -13.121 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.161 -1.656 -13.022 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.338 -2.087 -14.246 1.00 0.00 H new ATOM 272 N ILE A 17 1.342 2.363 -15.633 1.00 0.00 N ATOM 273 CA ILE A 17 2.324 3.413 -15.241 1.00 0.00 C ATOM 274 C ILE A 17 1.787 4.798 -15.625 1.00 0.00 C ATOM 275 O ILE A 17 0.825 4.919 -16.352 1.00 0.00 O ATOM 276 CB ILE A 17 3.627 3.104 -16.003 1.00 0.00 C ATOM 277 CG1 ILE A 17 3.334 2.411 -17.341 1.00 0.00 C ATOM 278 CG2 ILE A 17 4.508 2.191 -15.150 1.00 0.00 C ATOM 279 CD1 ILE A 17 4.492 2.641 -18.308 1.00 0.00 C ATOM 0 H ILE A 17 1.308 2.157 -16.631 1.00 0.00 H new ATOM 0 HA ILE A 17 2.498 3.416 -14.165 1.00 0.00 H new ATOM 0 HB ILE A 17 4.138 4.046 -16.204 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.187 1.343 -17.183 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.409 2.800 -17.768 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.431 1.971 -15.687 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.745 2.689 -14.210 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.977 1.262 -14.944 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.278 2.147 -19.256 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.618 3.710 -18.477 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.408 2.230 -17.883 1.00 0.00 H new ATOM 291 N TYR A 18 2.394 5.842 -15.137 1.00 0.00 N ATOM 292 CA TYR A 18 1.904 7.210 -15.474 1.00 0.00 C ATOM 293 C TYR A 18 3.066 8.205 -15.507 1.00 0.00 C ATOM 294 O TYR A 18 3.616 8.568 -14.485 1.00 0.00 O ATOM 295 CB TYR A 18 0.932 7.567 -14.349 1.00 0.00 C ATOM 296 CG TYR A 18 -0.465 7.704 -14.908 1.00 0.00 C ATOM 297 CD1 TYR A 18 -0.798 8.812 -15.697 1.00 0.00 C ATOM 298 CD2 TYR A 18 -1.428 6.729 -14.632 1.00 0.00 C ATOM 299 CE1 TYR A 18 -2.094 8.942 -16.211 1.00 0.00 C ATOM 300 CE2 TYR A 18 -2.724 6.858 -15.145 1.00 0.00 C ATOM 301 CZ TYR A 18 -3.057 7.965 -15.934 1.00 0.00 C ATOM 302 OH TYR A 18 -4.335 8.093 -16.439 1.00 0.00 O ATOM 0 H TYR A 18 3.206 5.810 -14.521 1.00 0.00 H new ATOM 0 HA TYR A 18 1.432 7.245 -16.456 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.952 6.795 -13.579 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.237 8.499 -13.874 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.055 9.567 -15.909 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.172 5.875 -14.022 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.350 9.796 -16.821 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.467 6.103 -14.932 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.878 7.329 -16.153 1.00 0.00 H new ATOM 312 N LYS A 19 3.442 8.653 -16.673 1.00 0.00 N ATOM 313 CA LYS A 19 4.564 9.628 -16.770 1.00 0.00 C ATOM 314 C LYS A 19 4.529 10.338 -18.127 1.00 0.00 C ATOM 315 O LYS A 19 3.517 10.362 -18.798 1.00 0.00 O ATOM 316 CB LYS A 19 5.835 8.788 -16.634 1.00 0.00 C ATOM 317 CG LYS A 19 6.394 8.936 -15.218 1.00 0.00 C ATOM 318 CD LYS A 19 6.835 7.566 -14.697 1.00 0.00 C ATOM 319 CE LYS A 19 8.347 7.570 -14.464 1.00 0.00 C ATOM 320 NZ LYS A 19 8.557 8.504 -13.322 1.00 0.00 N ATOM 0 H LYS A 19 3.021 8.386 -17.563 1.00 0.00 H new ATOM 0 HA LYS A 19 4.507 10.402 -16.005 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.616 7.741 -16.842 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.577 9.110 -17.365 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.238 9.625 -15.219 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.637 9.361 -14.559 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.314 7.334 -13.768 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.569 6.790 -15.414 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.713 6.571 -14.229 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.883 7.905 -15.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.343 8.161 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.784 9.451 -13.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.690 8.552 -12.749 1.00 0.00 H new ATOM 334 N LYS A 20 5.625 10.915 -18.536 1.00 0.00 N ATOM 335 CA LYS A 20 5.652 11.620 -19.848 1.00 0.00 C ATOM 336 C LYS A 20 6.965 12.391 -20.009 1.00 0.00 C ATOM 337 O LYS A 20 7.873 12.261 -19.211 1.00 0.00 O ATOM 338 CB LYS A 20 4.465 12.584 -19.808 1.00 0.00 C ATOM 339 CG LYS A 20 3.464 12.208 -20.901 1.00 0.00 C ATOM 340 CD LYS A 20 2.511 13.379 -21.146 1.00 0.00 C ATOM 341 CE LYS A 20 2.347 13.599 -22.652 1.00 0.00 C ATOM 342 NZ LYS A 20 1.549 14.850 -22.774 1.00 0.00 N ATOM 0 H LYS A 20 6.504 10.929 -18.018 1.00 0.00 H new ATOM 0 HA LYS A 20 5.586 10.928 -20.688 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.984 12.545 -18.831 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.810 13.608 -19.953 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.992 11.956 -21.821 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.901 11.323 -20.604 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.542 13.174 -20.690 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.900 14.282 -20.676 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.315 13.698 -23.144 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.836 12.758 -23.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.395 15.067 -23.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.631 14.723 -22.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.063 15.635 -22.325 1.00 0.00 H new ATOM 356 N ALA A 21 7.073 13.191 -21.033 1.00 0.00 N ATOM 357 CA ALA A 21 8.328 13.969 -21.243 1.00 0.00 C ATOM 358 C ALA A 21 8.106 15.440 -20.880 1.00 0.00 C ATOM 359 O ALA A 21 7.022 15.826 -20.489 1.00 0.00 O ATOM 360 CB ALA A 21 8.639 13.824 -22.733 1.00 0.00 C ATOM 0 H ALA A 21 6.347 13.340 -21.734 1.00 0.00 H new ATOM 0 HA ALA A 21 9.146 13.609 -20.619 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.552 14.371 -22.969 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.774 12.770 -22.976 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.813 14.228 -23.318 1.00 0.00 H new ATOM 366 N PRO A 22 9.148 16.212 -21.025 1.00 0.00 N ATOM 367 CA PRO A 22 9.074 17.660 -20.711 1.00 0.00 C ATOM 368 C PRO A 22 8.271 18.400 -21.785 1.00 0.00 C ATOM 369 O PRO A 22 7.864 17.825 -22.774 1.00 0.00 O ATOM 370 CB PRO A 22 10.534 18.102 -20.722 1.00 0.00 C ATOM 371 CG PRO A 22 11.233 17.114 -21.601 1.00 0.00 C ATOM 372 CD PRO A 22 10.480 15.813 -21.491 1.00 0.00 C ATOM 0 HA PRO A 22 8.577 17.869 -19.764 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.636 19.116 -21.109 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.954 18.101 -19.716 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.251 17.462 -22.634 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.270 16.987 -21.289 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.430 15.299 -22.451 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.961 15.132 -20.789 1.00 0.00 H new ATOM 380 N THR A 23 8.045 19.672 -21.599 1.00 0.00 N ATOM 381 CA THR A 23 7.273 20.452 -22.606 1.00 0.00 C ATOM 382 C THR A 23 7.005 21.866 -22.086 1.00 0.00 C ATOM 383 O THR A 23 7.134 22.140 -20.910 1.00 0.00 O ATOM 384 CB THR A 23 5.958 19.689 -22.786 1.00 0.00 C ATOM 385 OG1 THR A 23 5.008 20.533 -23.422 1.00 0.00 O ATOM 386 CG2 THR A 23 5.422 19.254 -21.420 1.00 0.00 C ATOM 0 H THR A 23 8.363 20.206 -20.790 1.00 0.00 H new ATOM 0 HA THR A 23 7.813 20.555 -23.547 1.00 0.00 H new ATOM 0 HB THR A 23 6.133 18.806 -23.401 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.166 20.046 -23.540 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.486 18.711 -21.552 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.151 18.607 -20.932 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.247 20.134 -20.801 1.00 0.00 H new ATOM 394 N ASN A 24 6.634 22.767 -22.954 1.00 0.00 N ATOM 395 CA ASN A 24 6.358 24.164 -22.509 1.00 0.00 C ATOM 396 C ASN A 24 5.047 24.664 -23.119 1.00 0.00 C ATOM 397 O ASN A 24 4.374 23.953 -23.839 1.00 0.00 O ATOM 398 CB ASN A 24 7.539 24.984 -23.028 1.00 0.00 C ATOM 399 CG ASN A 24 8.162 25.770 -21.872 1.00 0.00 C ATOM 400 OD1 ASN A 24 7.868 26.934 -21.685 1.00 0.00 O ATOM 401 ND2 ASN A 24 9.018 25.178 -21.084 1.00 0.00 N ATOM 0 H ASN A 24 6.510 22.597 -23.952 1.00 0.00 H new ATOM 0 HA ASN A 24 6.253 24.240 -21.427 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.283 24.326 -23.477 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.206 25.668 -23.809 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.440 25.693 -20.311 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.265 24.201 -21.241 1.00 0.00 H new ATOM 408 N GLU A 25 4.678 25.884 -22.837 1.00 0.00 N ATOM 409 CA GLU A 25 3.409 26.428 -23.402 1.00 0.00 C ATOM 410 C GLU A 25 3.567 27.919 -23.715 1.00 0.00 C ATOM 411 O GLU A 25 3.541 28.754 -22.834 1.00 0.00 O ATOM 412 CB GLU A 25 2.365 26.219 -22.304 1.00 0.00 C ATOM 413 CG GLU A 25 1.139 25.518 -22.892 1.00 0.00 C ATOM 414 CD GLU A 25 0.026 25.470 -21.845 1.00 0.00 C ATOM 415 OE1 GLU A 25 0.078 26.262 -20.918 1.00 0.00 O ATOM 416 OE2 GLU A 25 -0.859 24.642 -21.987 1.00 0.00 O ATOM 0 H GLU A 25 5.199 26.527 -22.241 1.00 0.00 H new ATOM 0 HA GLU A 25 3.126 25.936 -24.332 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.786 25.621 -21.496 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.077 27.178 -21.874 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.795 26.049 -23.780 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.401 24.508 -23.206 1.00 0.00 H new ATOM 423 N PHE A 26 3.731 28.258 -24.965 1.00 0.00 N ATOM 424 CA PHE A 26 3.891 29.694 -25.333 1.00 0.00 C ATOM 425 C PHE A 26 3.054 30.017 -26.574 1.00 0.00 C ATOM 426 O PHE A 26 2.550 29.136 -27.242 1.00 0.00 O ATOM 427 CB PHE A 26 5.380 29.862 -25.632 1.00 0.00 C ATOM 428 CG PHE A 26 5.927 31.017 -24.828 1.00 0.00 C ATOM 429 CD1 PHE A 26 6.380 30.806 -23.520 1.00 0.00 C ATOM 430 CD2 PHE A 26 5.982 32.298 -25.389 1.00 0.00 C ATOM 431 CE1 PHE A 26 6.888 31.878 -22.774 1.00 0.00 C ATOM 432 CE2 PHE A 26 6.489 33.369 -24.645 1.00 0.00 C ATOM 433 CZ PHE A 26 6.942 33.159 -23.336 1.00 0.00 C ATOM 0 H PHE A 26 3.761 27.603 -25.747 1.00 0.00 H new ATOM 0 HA PHE A 26 3.557 30.364 -24.541 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.917 28.946 -25.385 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.530 30.042 -26.696 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.338 29.818 -23.086 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.632 32.460 -26.398 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.238 31.716 -21.765 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.531 34.357 -25.079 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.333 33.985 -22.761 1.00 0.00 H new ATOM 443 N TYR A 27 2.901 31.275 -26.887 1.00 0.00 N ATOM 444 CA TYR A 27 2.097 31.653 -28.084 1.00 0.00 C ATOM 445 C TYR A 27 2.907 32.581 -28.994 1.00 0.00 C ATOM 446 O TYR A 27 2.777 32.551 -30.201 1.00 0.00 O ATOM 447 CB TYR A 27 0.875 32.383 -27.526 1.00 0.00 C ATOM 448 CG TYR A 27 0.213 31.525 -26.474 1.00 0.00 C ATOM 449 CD1 TYR A 27 0.097 30.143 -26.668 1.00 0.00 C ATOM 450 CD2 TYR A 27 -0.285 32.111 -25.304 1.00 0.00 C ATOM 451 CE1 TYR A 27 -0.516 29.348 -25.693 1.00 0.00 C ATOM 452 CE2 TYR A 27 -0.898 31.316 -24.329 1.00 0.00 C ATOM 453 CZ TYR A 27 -1.013 29.935 -24.523 1.00 0.00 C ATOM 454 OH TYR A 27 -1.619 29.150 -23.562 1.00 0.00 O ATOM 0 H TYR A 27 3.298 32.057 -26.366 1.00 0.00 H new ATOM 0 HA TYR A 27 1.816 30.787 -28.683 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.174 33.339 -27.096 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.171 32.601 -28.329 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.481 29.691 -27.570 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.196 33.177 -25.154 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.606 28.282 -25.843 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.282 31.768 -23.427 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.907 29.713 -22.813 1.00 0.00 H new ATOM 464 N ALA A 28 3.742 33.405 -28.423 1.00 0.00 N ATOM 465 CA ALA A 28 4.559 34.334 -29.256 1.00 0.00 C ATOM 466 C ALA A 28 3.694 34.962 -30.352 1.00 0.00 C ATOM 467 O ALA A 28 4.260 35.481 -31.301 1.00 0.00 O ATOM 468 CB ALA A 28 5.652 33.458 -29.870 1.00 0.00 C ATOM 469 OXT ALA A 28 2.482 34.912 -30.224 1.00 0.00 O ATOM 0 H ALA A 28 3.894 33.476 -27.417 1.00 0.00 H new ATOM 0 HA ALA A 28 4.975 35.155 -28.672 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.298 34.070 -30.500 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.244 33.004 -29.075 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.194 32.674 -30.473 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 25.199 -19.649 -12.521 1.00 0.00 N ATOM 477 CA ARG B 1 24.036 -20.372 -13.112 1.00 0.00 C ATOM 478 C ARG B 1 23.063 -20.799 -12.011 1.00 0.00 C ATOM 479 O ARG B 1 23.339 -21.694 -11.236 1.00 0.00 O ATOM 480 CB ARG B 1 24.639 -21.598 -13.799 1.00 0.00 C ATOM 481 CG ARG B 1 25.300 -21.175 -15.113 1.00 0.00 C ATOM 482 CD ARG B 1 26.669 -21.848 -15.236 1.00 0.00 C ATOM 483 NE ARG B 1 27.122 -21.544 -16.621 1.00 0.00 N ATOM 484 CZ ARG B 1 28.374 -21.712 -16.950 1.00 0.00 C ATOM 485 NH1 ARG B 1 29.283 -20.895 -16.498 1.00 0.00 N ATOM 486 NH2 ARG B 1 28.715 -22.700 -17.733 1.00 0.00 N ATOM 0 H1 ARG B 1 25.275 -18.705 -12.950 1.00 0.00 H new ATOM 0 H2 ARG B 1 25.063 -19.553 -11.494 1.00 0.00 H new ATOM 0 H3 ARG B 1 26.071 -20.185 -12.706 1.00 0.00 H new ATOM 0 HA ARG B 1 23.474 -19.750 -13.808 1.00 0.00 H new ATOM 0 HB2 ARG B 1 25.373 -22.069 -13.146 1.00 0.00 H new ATOM 0 HB3 ARG B 1 23.863 -22.338 -13.992 1.00 0.00 H new ATOM 0 HG2 ARG B 1 24.669 -21.454 -15.956 1.00 0.00 H new ATOM 0 HG3 ARG B 1 25.412 -20.091 -15.144 1.00 0.00 H new ATOM 0 HD2 ARG B 1 27.369 -21.458 -14.497 1.00 0.00 H new ATOM 0 HD3 ARG B 1 26.597 -22.923 -15.071 1.00 0.00 H new ATOM 0 HE ARG B 1 26.454 -21.204 -17.313 1.00 0.00 H new ATOM 0 HH11 ARG B 1 29.016 -20.123 -15.886 1.00 0.00 H new ATOM 0 HH12 ARG B 1 30.261 -21.027 -16.756 1.00 0.00 H new ATOM 0 HH21 ARG B 1 28.003 -23.339 -18.087 1.00 0.00 H new ATOM 0 HH22 ARG B 1 29.693 -22.832 -17.991 1.00 0.00 H new ATOM 502 N MET B 2 21.924 -20.166 -11.934 1.00 0.00 N ATOM 503 CA MET B 2 20.934 -20.535 -10.882 1.00 0.00 C ATOM 504 C MET B 2 19.600 -20.923 -11.524 1.00 0.00 C ATOM 505 O MET B 2 19.002 -20.155 -12.251 1.00 0.00 O ATOM 506 CB MET B 2 20.773 -19.276 -10.030 1.00 0.00 C ATOM 507 CG MET B 2 22.056 -19.030 -9.233 1.00 0.00 C ATOM 508 SD MET B 2 21.670 -18.992 -7.465 1.00 0.00 S ATOM 509 CE MET B 2 23.368 -19.142 -6.859 1.00 0.00 C ATOM 0 H MET B 2 21.636 -19.409 -12.554 1.00 0.00 H new ATOM 0 HA MET B 2 21.261 -21.389 -10.289 1.00 0.00 H new ATOM 0 HB2 MET B 2 20.558 -18.418 -10.667 1.00 0.00 H new ATOM 0 HB3 MET B 2 19.927 -19.389 -9.352 1.00 0.00 H new ATOM 0 HG2 MET B 2 22.782 -19.816 -9.441 1.00 0.00 H new ATOM 0 HG3 MET B 2 22.511 -18.087 -9.537 1.00 0.00 H new ATOM 0 HE1 MET B 2 23.367 -19.140 -5.769 1.00 0.00 H new ATOM 0 HE2 MET B 2 23.802 -20.075 -7.219 1.00 0.00 H new ATOM 0 HE3 MET B 2 23.960 -18.302 -7.223 1.00 0.00 H new ATOM 519 N LYS B 3 19.128 -22.112 -11.261 1.00 0.00 N ATOM 520 CA LYS B 3 17.833 -22.548 -11.858 1.00 0.00 C ATOM 521 C LYS B 3 16.870 -23.001 -10.757 1.00 0.00 C ATOM 522 O LYS B 3 17.127 -23.953 -10.047 1.00 0.00 O ATOM 523 CB LYS B 3 18.192 -23.721 -12.772 1.00 0.00 C ATOM 524 CG LYS B 3 18.649 -23.187 -14.130 1.00 0.00 C ATOM 525 CD LYS B 3 19.031 -24.358 -15.037 1.00 0.00 C ATOM 526 CE LYS B 3 20.534 -24.316 -15.321 1.00 0.00 C ATOM 527 NZ LYS B 3 20.807 -25.541 -16.123 1.00 0.00 N ATOM 0 H LYS B 3 19.582 -22.799 -10.660 1.00 0.00 H new ATOM 0 HA LYS B 3 17.338 -21.744 -12.403 1.00 0.00 H new ATOM 0 HB2 LYS B 3 18.983 -24.320 -12.320 1.00 0.00 H new ATOM 0 HB3 LYS B 3 17.329 -24.375 -12.898 1.00 0.00 H new ATOM 0 HG2 LYS B 3 17.852 -22.602 -14.590 1.00 0.00 H new ATOM 0 HG3 LYS B 3 19.501 -22.519 -14.002 1.00 0.00 H new ATOM 0 HD2 LYS B 3 18.767 -25.302 -14.560 1.00 0.00 H new ATOM 0 HD3 LYS B 3 18.472 -24.305 -15.971 1.00 0.00 H new ATOM 0 HE2 LYS B 3 20.807 -23.415 -15.870 1.00 0.00 H new ATOM 0 HE3 LYS B 3 21.111 -24.313 -14.396 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 21.819 -25.584 -16.358 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 20.543 -26.383 -15.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 20.249 -25.513 -17.000 1.00 0.00 H new ATOM 541 N LYS B 4 15.763 -22.326 -10.609 1.00 0.00 N ATOM 542 CA LYS B 4 14.785 -22.719 -9.553 1.00 0.00 C ATOM 543 C LYS B 4 13.469 -21.957 -9.740 1.00 0.00 C ATOM 544 O LYS B 4 13.206 -21.407 -10.790 1.00 0.00 O ATOM 545 CB LYS B 4 15.447 -22.338 -8.225 1.00 0.00 C ATOM 546 CG LYS B 4 16.139 -20.978 -8.360 1.00 0.00 C ATOM 547 CD LYS B 4 15.786 -20.103 -7.155 1.00 0.00 C ATOM 548 CE LYS B 4 17.061 -19.761 -6.381 1.00 0.00 C ATOM 549 NZ LYS B 4 16.601 -19.459 -4.998 1.00 0.00 N ATOM 0 H LYS B 4 15.493 -21.520 -11.173 1.00 0.00 H new ATOM 0 HA LYS B 4 14.544 -23.781 -9.592 1.00 0.00 H new ATOM 0 HB2 LYS B 4 14.699 -22.298 -7.434 1.00 0.00 H new ATOM 0 HB3 LYS B 4 16.173 -23.099 -7.939 1.00 0.00 H new ATOM 0 HG2 LYS B 4 17.219 -21.112 -8.421 1.00 0.00 H new ATOM 0 HG3 LYS B 4 15.826 -20.489 -9.282 1.00 0.00 H new ATOM 0 HD2 LYS B 4 15.294 -19.189 -7.488 1.00 0.00 H new ATOM 0 HD3 LYS B 4 15.083 -20.626 -6.506 1.00 0.00 H new ATOM 0 HE2 LYS B 4 17.764 -20.594 -6.390 1.00 0.00 H new ATOM 0 HE3 LYS B 4 17.574 -18.906 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 17.420 -19.215 -4.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 15.938 -18.658 -5.020 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 16.123 -20.293 -4.601 1.00 0.00 H new ATOM 563 N LYS B 5 12.642 -21.927 -8.726 1.00 0.00 N ATOM 564 CA LYS B 5 11.334 -21.209 -8.829 1.00 0.00 C ATOM 565 C LYS B 5 10.720 -21.399 -10.220 1.00 0.00 C ATOM 566 O LYS B 5 11.060 -22.318 -10.939 1.00 0.00 O ATOM 567 CB LYS B 5 11.656 -19.732 -8.563 1.00 0.00 C ATOM 568 CG LYS B 5 12.376 -19.109 -9.767 1.00 0.00 C ATOM 569 CD LYS B 5 13.888 -19.190 -9.555 1.00 0.00 C ATOM 570 CE LYS B 5 14.423 -17.810 -9.166 1.00 0.00 C ATOM 571 NZ LYS B 5 14.310 -16.990 -10.404 1.00 0.00 N ATOM 0 H LYS B 5 12.817 -22.372 -7.825 1.00 0.00 H new ATOM 0 HA LYS B 5 10.603 -21.592 -8.117 1.00 0.00 H new ATOM 0 HB2 LYS B 5 10.735 -19.185 -8.360 1.00 0.00 H new ATOM 0 HB3 LYS B 5 12.281 -19.645 -7.674 1.00 0.00 H new ATOM 0 HG2 LYS B 5 12.098 -19.633 -10.682 1.00 0.00 H new ATOM 0 HG3 LYS B 5 12.070 -18.070 -9.889 1.00 0.00 H new ATOM 0 HD2 LYS B 5 14.118 -19.915 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS B 5 14.376 -19.537 -10.466 1.00 0.00 H new ATOM 0 HE2 LYS B 5 13.843 -17.377 -8.351 1.00 0.00 H new ATOM 0 HE3 LYS B 5 15.456 -17.869 -8.825 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 15.151 -16.386 -10.498 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 14.240 -17.617 -11.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 13.460 -16.394 -10.349 1.00 0.00 H new ATOM 585 N ASP B 6 9.817 -20.539 -10.604 1.00 0.00 N ATOM 586 CA ASP B 6 9.183 -20.671 -11.946 1.00 0.00 C ATOM 587 C ASP B 6 8.049 -19.654 -12.097 1.00 0.00 C ATOM 588 O ASP B 6 7.860 -18.791 -11.263 1.00 0.00 O ATOM 589 CB ASP B 6 8.634 -22.098 -11.986 1.00 0.00 C ATOM 590 CG ASP B 6 9.288 -22.865 -13.137 1.00 0.00 C ATOM 591 OD1 ASP B 6 10.498 -23.024 -13.105 1.00 0.00 O ATOM 592 OD2 ASP B 6 8.570 -23.279 -14.030 1.00 0.00 O ATOM 0 H ASP B 6 9.491 -19.750 -10.046 1.00 0.00 H new ATOM 0 HA ASP B 6 9.887 -20.483 -12.756 1.00 0.00 H new ATOM 0 HB2 ASP B 6 8.833 -22.602 -11.040 1.00 0.00 H new ATOM 0 HB3 ASP B 6 7.552 -22.079 -12.116 1.00 0.00 H new ATOM 597 N GLU B 7 7.291 -19.750 -13.156 1.00 0.00 N ATOM 598 CA GLU B 7 6.168 -18.788 -13.359 1.00 0.00 C ATOM 599 C GLU B 7 4.843 -19.543 -13.490 1.00 0.00 C ATOM 600 O GLU B 7 4.780 -20.743 -13.310 1.00 0.00 O ATOM 601 CB GLU B 7 6.502 -18.059 -14.660 1.00 0.00 C ATOM 602 CG GLU B 7 7.023 -16.656 -14.341 1.00 0.00 C ATOM 603 CD GLU B 7 7.261 -15.891 -15.645 1.00 0.00 C ATOM 604 OE1 GLU B 7 7.320 -16.530 -16.682 1.00 0.00 O ATOM 605 OE2 GLU B 7 7.379 -14.678 -15.583 1.00 0.00 O ATOM 0 H GLU B 7 7.400 -20.451 -13.888 1.00 0.00 H new ATOM 0 HA GLU B 7 6.058 -18.098 -12.523 1.00 0.00 H new ATOM 0 HB2 GLU B 7 7.252 -18.618 -15.220 1.00 0.00 H new ATOM 0 HB3 GLU B 7 5.615 -17.994 -15.291 1.00 0.00 H new ATOM 0 HG2 GLU B 7 6.304 -16.122 -13.720 1.00 0.00 H new ATOM 0 HG3 GLU B 7 7.950 -16.722 -13.771 1.00 0.00 H new ATOM 612 N GLY B 8 3.784 -18.849 -13.804 1.00 0.00 N ATOM 613 CA GLY B 8 2.464 -19.528 -13.948 1.00 0.00 C ATOM 614 C GLY B 8 1.601 -18.761 -14.951 1.00 0.00 C ATOM 615 O GLY B 8 1.746 -18.907 -16.148 1.00 0.00 O ATOM 0 H GLY B 8 3.775 -17.842 -13.967 1.00 0.00 H new ATOM 0 HA2 GLY B 8 2.606 -20.555 -14.285 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.961 -19.577 -12.982 1.00 0.00 H new ATOM 619 N SER B 9 0.704 -17.943 -14.473 1.00 0.00 N ATOM 620 CA SER B 9 -0.165 -17.166 -15.397 1.00 0.00 C ATOM 621 C SER B 9 -0.957 -16.111 -14.619 1.00 0.00 C ATOM 622 O SER B 9 -0.970 -16.102 -13.404 1.00 0.00 O ATOM 623 CB SER B 9 -1.106 -18.196 -16.019 1.00 0.00 C ATOM 624 OG SER B 9 -1.359 -19.229 -15.076 1.00 0.00 O ATOM 0 H SER B 9 0.536 -17.780 -13.480 1.00 0.00 H new ATOM 0 HA SER B 9 0.411 -16.634 -16.154 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.041 -17.720 -16.314 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.661 -18.613 -16.923 1.00 0.00 H new ATOM 0 HG SER B 9 -1.964 -19.891 -15.471 1.00 0.00 H new ATOM 630 N TYR B 10 -1.617 -15.223 -15.310 1.00 0.00 N ATOM 631 CA TYR B 10 -2.408 -14.170 -14.610 1.00 0.00 C ATOM 632 C TYR B 10 -1.478 -13.262 -13.801 1.00 0.00 C ATOM 633 O TYR B 10 -1.919 -12.456 -13.006 1.00 0.00 O ATOM 634 CB TYR B 10 -3.351 -14.935 -13.681 1.00 0.00 C ATOM 635 CG TYR B 10 -4.716 -14.290 -13.707 1.00 0.00 C ATOM 636 CD1 TYR B 10 -4.832 -12.900 -13.815 1.00 0.00 C ATOM 637 CD2 TYR B 10 -5.866 -15.084 -13.625 1.00 0.00 C ATOM 638 CE1 TYR B 10 -6.097 -12.302 -13.839 1.00 0.00 C ATOM 639 CE2 TYR B 10 -7.133 -14.486 -13.648 1.00 0.00 C ATOM 640 CZ TYR B 10 -7.247 -13.096 -13.756 1.00 0.00 C ATOM 641 OH TYR B 10 -8.495 -12.506 -13.780 1.00 0.00 O ATOM 0 H TYR B 10 -1.643 -15.180 -16.329 1.00 0.00 H new ATOM 0 HA TYR B 10 -2.951 -13.530 -15.305 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -3.423 -15.976 -13.995 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -2.957 -14.935 -12.665 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -3.945 -12.288 -13.880 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.777 -16.157 -13.544 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -6.186 -11.229 -13.921 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -8.021 -15.098 -13.582 1.00 0.00 H new ATOM 0 HH TYR B 10 -9.185 -13.198 -13.714 1.00 0.00 H new ATOM 651 N ASP B 11 -0.194 -13.386 -13.997 1.00 0.00 N ATOM 652 CA ASP B 11 0.762 -12.534 -13.239 1.00 0.00 C ATOM 653 C ASP B 11 0.665 -11.080 -13.709 1.00 0.00 C ATOM 654 O ASP B 11 0.807 -10.156 -12.933 1.00 0.00 O ATOM 655 CB ASP B 11 2.142 -13.108 -13.557 1.00 0.00 C ATOM 656 CG ASP B 11 2.525 -12.756 -14.995 1.00 0.00 C ATOM 657 OD1 ASP B 11 1.976 -13.363 -15.899 1.00 0.00 O ATOM 658 OD2 ASP B 11 3.361 -11.883 -15.167 1.00 0.00 O ATOM 0 H ASP B 11 0.234 -14.042 -14.651 1.00 0.00 H new ATOM 0 HA ASP B 11 0.556 -12.535 -12.169 1.00 0.00 H new ATOM 0 HB2 ASP B 11 2.882 -12.707 -12.864 1.00 0.00 H new ATOM 0 HB3 ASP B 11 2.136 -14.190 -13.426 1.00 0.00 H new ATOM 663 N LEU B 12 0.422 -10.871 -14.975 1.00 0.00 N ATOM 664 CA LEU B 12 0.316 -9.478 -15.495 1.00 0.00 C ATOM 665 C LEU B 12 -0.490 -8.610 -14.526 1.00 0.00 C ATOM 666 O LEU B 12 -1.234 -9.108 -13.704 1.00 0.00 O ATOM 667 CB LEU B 12 -0.415 -9.609 -16.832 1.00 0.00 C ATOM 668 CG LEU B 12 0.597 -9.905 -17.941 1.00 0.00 C ATOM 669 CD1 LEU B 12 1.524 -11.039 -17.498 1.00 0.00 C ATOM 670 CD2 LEU B 12 -0.148 -10.323 -19.211 1.00 0.00 C ATOM 0 H LEU B 12 0.292 -11.605 -15.671 1.00 0.00 H new ATOM 0 HA LEU B 12 1.291 -9.005 -15.608 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.154 -10.408 -16.777 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.956 -8.689 -17.055 1.00 0.00 H new ATOM 0 HG LEU B 12 1.188 -9.011 -18.142 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.245 -11.250 -18.288 1.00 0.00 H new ATOM 0 HD12 LEU B 12 2.054 -10.743 -16.593 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.934 -11.933 -17.297 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.572 -10.534 -20.002 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.738 -11.217 -19.009 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.809 -9.516 -19.528 1.00 0.00 H new ATOM 682 N GLY B 13 -0.348 -7.316 -14.614 1.00 0.00 N ATOM 683 CA GLY B 13 -1.107 -6.419 -13.696 1.00 0.00 C ATOM 684 C GLY B 13 -2.311 -5.831 -14.434 1.00 0.00 C ATOM 685 O GLY B 13 -3.445 -6.030 -14.048 1.00 0.00 O ATOM 0 H GLY B 13 0.260 -6.841 -15.281 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.441 -6.976 -12.820 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -0.461 -5.618 -13.337 1.00 0.00 H new ATOM 689 N LYS B 14 -2.074 -5.109 -15.496 1.00 0.00 N ATOM 690 CA LYS B 14 -3.208 -4.510 -16.256 1.00 0.00 C ATOM 691 C LYS B 14 -2.707 -3.923 -17.582 1.00 0.00 C ATOM 692 O LYS B 14 -2.381 -4.646 -18.502 1.00 0.00 O ATOM 693 CB LYS B 14 -3.765 -3.419 -15.339 1.00 0.00 C ATOM 694 CG LYS B 14 -4.986 -2.774 -15.997 1.00 0.00 C ATOM 695 CD LYS B 14 -6.183 -3.721 -15.893 1.00 0.00 C ATOM 696 CE LYS B 14 -7.348 -3.000 -15.211 1.00 0.00 C ATOM 697 NZ LYS B 14 -8.294 -4.082 -14.820 1.00 0.00 N ATOM 0 H LYS B 14 -1.146 -4.909 -15.869 1.00 0.00 H new ATOM 0 HA LYS B 14 -3.972 -5.243 -16.515 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -4.041 -3.846 -14.375 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -3.001 -2.665 -15.147 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -5.216 -1.826 -15.511 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -4.774 -2.553 -17.043 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -6.481 -4.057 -16.886 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -5.909 -4.610 -15.324 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -7.009 -2.438 -14.341 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -7.821 -2.287 -15.886 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -9.121 -3.666 -14.345 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -8.605 -4.595 -15.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -7.818 -4.741 -14.172 1.00 0.00 H new ATOM 711 N LYS B 15 -2.642 -2.623 -17.695 1.00 0.00 N ATOM 712 CA LYS B 15 -2.161 -2.011 -18.966 1.00 0.00 C ATOM 713 C LYS B 15 -1.218 -0.843 -18.666 1.00 0.00 C ATOM 714 O LYS B 15 -1.558 0.048 -17.917 1.00 0.00 O ATOM 715 CB LYS B 15 -3.426 -1.514 -19.668 1.00 0.00 C ATOM 716 CG LYS B 15 -4.307 -2.708 -20.041 1.00 0.00 C ATOM 717 CD LYS B 15 -5.614 -2.206 -20.658 1.00 0.00 C ATOM 718 CE LYS B 15 -5.512 -2.255 -22.184 1.00 0.00 C ATOM 719 NZ LYS B 15 -6.762 -2.930 -22.631 1.00 0.00 N ATOM 0 H LYS B 15 -2.901 -1.961 -16.964 1.00 0.00 H new ATOM 0 HA LYS B 15 -1.604 -2.718 -19.581 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -3.974 -0.835 -19.015 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -3.161 -0.951 -20.563 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -3.784 -3.353 -20.747 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -4.517 -3.309 -19.156 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -6.448 -2.821 -20.319 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -5.815 -1.186 -20.329 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -5.431 -1.254 -22.607 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -4.629 -2.808 -22.503 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -6.766 -3.001 -23.669 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -6.808 -3.883 -22.218 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -7.586 -2.377 -22.319 1.00 0.00 H new ATOM 733 N PRO B 16 -0.058 -0.889 -19.268 1.00 0.00 N ATOM 734 CA PRO B 16 0.952 0.180 -19.063 1.00 0.00 C ATOM 735 C PRO B 16 0.496 1.486 -19.714 1.00 0.00 C ATOM 736 O PRO B 16 0.510 1.637 -20.920 1.00 0.00 O ATOM 737 CB PRO B 16 2.201 -0.373 -19.744 1.00 0.00 C ATOM 738 CG PRO B 16 1.686 -1.345 -20.757 1.00 0.00 C ATOM 739 CD PRO B 16 0.417 -1.925 -20.192 1.00 0.00 C ATOM 0 HA PRO B 16 1.119 0.417 -18.012 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.779 0.422 -20.216 1.00 0.00 H new ATOM 0 HB3 PRO B 16 2.859 -0.862 -19.026 1.00 0.00 H new ATOM 0 HG2 PRO B 16 1.495 -0.848 -21.708 1.00 0.00 H new ATOM 0 HG3 PRO B 16 2.418 -2.129 -20.949 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -0.313 -2.129 -20.975 1.00 0.00 H new ATOM 0 HD3 PRO B 16 0.602 -2.867 -19.676 1.00 0.00 H new ATOM 747 N ILE B 17 0.099 2.431 -18.911 1.00 0.00 N ATOM 748 CA ILE B 17 -0.356 3.744 -19.454 1.00 0.00 C ATOM 749 C ILE B 17 0.727 4.805 -19.227 1.00 0.00 C ATOM 750 O ILE B 17 1.670 4.594 -18.493 1.00 0.00 O ATOM 751 CB ILE B 17 -1.646 4.111 -18.696 1.00 0.00 C ATOM 752 CG1 ILE B 17 -1.637 3.525 -17.277 1.00 0.00 C ATOM 753 CG2 ILE B 17 -2.853 3.560 -19.455 1.00 0.00 C ATOM 754 CD1 ILE B 17 -2.562 4.340 -16.376 1.00 0.00 C ATOM 0 H ILE B 17 0.069 2.352 -17.895 1.00 0.00 H new ATOM 0 HA ILE B 17 -0.542 3.690 -20.527 1.00 0.00 H new ATOM 0 HB ILE B 17 -1.705 5.197 -18.625 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -1.961 2.485 -17.301 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.623 3.534 -16.876 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.767 3.818 -18.921 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -2.882 3.993 -20.455 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.771 2.476 -19.531 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -2.552 3.920 -15.370 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -2.218 5.374 -16.341 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -3.577 4.308 -16.773 1.00 0.00 H new ATOM 766 N TYR B 18 0.607 5.941 -19.854 1.00 0.00 N ATOM 767 CA TYR B 18 1.641 7.001 -19.671 1.00 0.00 C ATOM 768 C TYR B 18 1.009 8.391 -19.791 1.00 0.00 C ATOM 769 O TYR B 18 0.639 8.825 -20.863 1.00 0.00 O ATOM 770 CB TYR B 18 2.641 6.773 -20.804 1.00 0.00 C ATOM 771 CG TYR B 18 3.979 6.373 -20.228 1.00 0.00 C ATOM 772 CD1 TYR B 18 4.771 7.321 -19.570 1.00 0.00 C ATOM 773 CD2 TYR B 18 4.430 5.055 -20.359 1.00 0.00 C ATOM 774 CE1 TYR B 18 6.013 6.951 -19.042 1.00 0.00 C ATOM 775 CE2 TYR B 18 5.671 4.684 -19.830 1.00 0.00 C ATOM 776 CZ TYR B 18 6.464 5.632 -19.172 1.00 0.00 C ATOM 777 OH TYR B 18 7.688 5.267 -18.651 1.00 0.00 O ATOM 0 H TYR B 18 -0.159 6.183 -20.483 1.00 0.00 H new ATOM 0 HA TYR B 18 2.111 6.951 -18.689 1.00 0.00 H new ATOM 0 HB2 TYR B 18 2.275 5.995 -21.474 1.00 0.00 H new ATOM 0 HB3 TYR B 18 2.746 7.681 -21.398 1.00 0.00 H new ATOM 0 HD1 TYR B 18 4.423 8.339 -19.470 1.00 0.00 H new ATOM 0 HD2 TYR B 18 3.820 4.324 -20.869 1.00 0.00 H new ATOM 0 HE1 TYR B 18 6.624 7.683 -18.534 1.00 0.00 H new ATOM 0 HE2 TYR B 18 6.017 3.666 -19.929 1.00 0.00 H new ATOM 0 HH TYR B 18 7.848 4.316 -18.827 1.00 0.00 H new ATOM 787 N LYS B 19 0.890 9.093 -18.698 1.00 0.00 N ATOM 788 CA LYS B 19 0.291 10.457 -18.750 1.00 0.00 C ATOM 789 C LYS B 19 0.660 11.243 -17.489 1.00 0.00 C ATOM 790 O LYS B 19 1.606 10.917 -16.798 1.00 0.00 O ATOM 791 CB LYS B 19 -1.219 10.224 -18.818 1.00 0.00 C ATOM 792 CG LYS B 19 -1.702 10.422 -20.257 1.00 0.00 C ATOM 793 CD LYS B 19 -2.695 9.316 -20.619 1.00 0.00 C ATOM 794 CE LYS B 19 -4.068 9.932 -20.892 1.00 0.00 C ATOM 795 NZ LYS B 19 -3.893 10.722 -22.143 1.00 0.00 N ATOM 0 H LYS B 19 1.181 8.782 -17.771 1.00 0.00 H new ATOM 0 HA LYS B 19 0.651 11.036 -19.601 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.458 9.216 -18.478 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.735 10.915 -18.152 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.175 11.398 -20.362 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -0.854 10.403 -20.942 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -2.347 8.774 -21.498 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -2.764 8.594 -19.805 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -4.829 9.161 -21.015 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -4.387 10.567 -20.066 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -4.771 10.690 -22.699 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -3.671 11.709 -21.902 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -3.114 10.319 -22.702 1.00 0.00 H new ATOM 809 N LYS B 20 -0.077 12.274 -17.182 1.00 0.00 N ATOM 810 CA LYS B 20 0.234 13.078 -15.967 1.00 0.00 C ATOM 811 C LYS B 20 -0.625 14.346 -15.937 1.00 0.00 C ATOM 812 O LYS B 20 -1.524 14.517 -16.737 1.00 0.00 O ATOM 813 CB LYS B 20 1.715 13.435 -16.092 1.00 0.00 C ATOM 814 CG LYS B 20 2.492 12.806 -14.933 1.00 0.00 C ATOM 815 CD LYS B 20 3.858 13.483 -14.807 1.00 0.00 C ATOM 816 CE LYS B 20 4.140 13.793 -13.335 1.00 0.00 C ATOM 817 NZ LYS B 20 5.396 14.593 -13.344 1.00 0.00 N ATOM 0 H LYS B 20 -0.882 12.595 -17.720 1.00 0.00 H new ATOM 0 HA LYS B 20 0.025 12.531 -15.047 1.00 0.00 H new ATOM 0 HB2 LYS B 20 2.107 13.076 -17.044 1.00 0.00 H new ATOM 0 HB3 LYS B 20 1.841 14.518 -16.083 1.00 0.00 H new ATOM 0 HG2 LYS B 20 1.933 12.916 -14.004 1.00 0.00 H new ATOM 0 HG3 LYS B 20 2.619 11.737 -15.104 1.00 0.00 H new ATOM 0 HD2 LYS B 20 4.636 12.834 -15.208 1.00 0.00 H new ATOM 0 HD3 LYS B 20 3.876 14.402 -15.393 1.00 0.00 H new ATOM 0 HE2 LYS B 20 3.319 14.352 -12.885 1.00 0.00 H new ATOM 0 HE3 LYS B 20 4.259 12.878 -12.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.655 14.844 -12.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 6.161 14.033 -13.772 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 5.251 15.461 -13.898 1.00 0.00 H new ATOM 831 N ALA B 21 -0.356 15.234 -15.020 1.00 0.00 N ATOM 832 CA ALA B 21 -1.157 16.489 -14.940 1.00 0.00 C ATOM 833 C ALA B 21 -0.342 17.671 -15.471 1.00 0.00 C ATOM 834 O ALA B 21 0.793 17.512 -15.877 1.00 0.00 O ATOM 835 CB ALA B 21 -1.459 16.672 -13.453 1.00 0.00 C ATOM 0 H ALA B 21 0.383 15.145 -14.323 1.00 0.00 H new ATOM 0 HA ALA B 21 -2.067 16.437 -15.537 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -2.048 17.578 -13.310 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -2.021 15.813 -13.087 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -0.524 16.756 -12.899 1.00 0.00 H new ATOM 841 N PRO B 22 -0.954 18.824 -15.449 1.00 0.00 N ATOM 842 CA PRO B 22 -0.282 20.054 -15.934 1.00 0.00 C ATOM 843 C PRO B 22 0.787 20.509 -14.937 1.00 0.00 C ATOM 844 O PRO B 22 0.939 19.939 -13.874 1.00 0.00 O ATOM 845 CB PRO B 22 -1.416 21.071 -16.017 1.00 0.00 C ATOM 846 CG PRO B 22 -2.444 20.587 -15.044 1.00 0.00 C ATOM 847 CD PRO B 22 -2.317 19.087 -14.974 1.00 0.00 C ATOM 0 HA PRO B 22 0.231 19.915 -16.886 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -1.068 22.071 -15.759 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -1.823 21.126 -17.027 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -2.285 21.033 -14.062 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -3.445 20.874 -15.366 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -2.463 18.721 -13.958 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -3.060 18.594 -15.600 1.00 0.00 H new ATOM 855 N THR B 23 1.526 21.532 -15.270 1.00 0.00 N ATOM 856 CA THR B 23 2.582 22.026 -14.343 1.00 0.00 C ATOM 857 C THR B 23 3.411 23.120 -15.024 1.00 0.00 C ATOM 858 O THR B 23 3.379 23.279 -16.228 1.00 0.00 O ATOM 859 CB THR B 23 3.455 20.806 -14.037 1.00 0.00 C ATOM 860 OG1 THR B 23 4.690 21.238 -13.483 1.00 0.00 O ATOM 861 CG2 THR B 23 3.719 20.024 -15.325 1.00 0.00 C ATOM 0 H THR B 23 1.443 22.048 -16.146 1.00 0.00 H new ATOM 0 HA THR B 23 2.161 22.460 -13.436 1.00 0.00 H new ATOM 0 HB THR B 23 2.940 20.162 -13.325 1.00 0.00 H new ATOM 0 HG1 THR B 23 5.250 20.459 -13.285 1.00 0.00 H new ATOM 0 HG21 THR B 23 4.341 19.157 -15.103 1.00 0.00 H new ATOM 0 HG22 THR B 23 2.772 19.692 -15.750 1.00 0.00 H new ATOM 0 HG23 THR B 23 4.233 20.665 -16.041 1.00 0.00 H new ATOM 869 N ASN B 24 4.152 23.877 -14.262 1.00 0.00 N ATOM 870 CA ASN B 24 4.982 24.959 -14.864 1.00 0.00 C ATOM 871 C ASN B 24 6.397 24.927 -14.284 1.00 0.00 C ATOM 872 O ASN B 24 6.724 24.090 -13.466 1.00 0.00 O ATOM 873 CB ASN B 24 4.274 26.260 -14.481 1.00 0.00 C ATOM 874 CG ASN B 24 4.011 27.088 -15.740 1.00 0.00 C ATOM 875 OD1 ASN B 24 4.766 27.985 -16.059 1.00 0.00 O ATOM 876 ND2 ASN B 24 2.965 26.824 -16.474 1.00 0.00 N ATOM 0 H ASN B 24 4.219 23.793 -13.248 1.00 0.00 H new ATOM 0 HA ASN B 24 5.081 24.851 -15.944 1.00 0.00 H new ATOM 0 HB2 ASN B 24 3.334 26.040 -13.975 1.00 0.00 H new ATOM 0 HB3 ASN B 24 4.887 26.828 -13.781 1.00 0.00 H new ATOM 0 HD21 ASN B 24 2.781 27.371 -17.315 1.00 0.00 H new ATOM 0 HD22 ASN B 24 2.331 26.071 -16.206 1.00 0.00 H new ATOM 883 N GLU B 25 7.240 25.830 -14.702 1.00 0.00 N ATOM 884 CA GLU B 25 8.635 25.850 -14.173 1.00 0.00 C ATOM 885 C GLU B 25 9.132 27.293 -14.047 1.00 0.00 C ATOM 886 O GLU B 25 9.486 27.926 -15.022 1.00 0.00 O ATOM 887 CB GLU B 25 9.462 25.087 -15.209 1.00 0.00 C ATOM 888 CG GLU B 25 10.290 24.009 -14.506 1.00 0.00 C ATOM 889 CD GLU B 25 11.249 23.368 -15.511 1.00 0.00 C ATOM 890 OE1 GLU B 25 11.514 23.988 -16.528 1.00 0.00 O ATOM 891 OE2 GLU B 25 11.705 22.268 -15.246 1.00 0.00 O ATOM 0 H GLU B 25 7.025 26.555 -15.386 1.00 0.00 H new ATOM 0 HA GLU B 25 8.708 25.401 -13.182 1.00 0.00 H new ATOM 0 HB2 GLU B 25 8.805 24.631 -15.950 1.00 0.00 H new ATOM 0 HB3 GLU B 25 10.118 25.774 -15.744 1.00 0.00 H new ATOM 0 HG2 GLU B 25 10.851 24.447 -13.680 1.00 0.00 H new ATOM 0 HG3 GLU B 25 9.633 23.251 -14.079 1.00 0.00 H new ATOM 898 N PHE B 26 9.160 27.818 -12.852 1.00 0.00 N ATOM 899 CA PHE B 26 9.635 29.220 -12.665 1.00 0.00 C ATOM 900 C PHE B 26 10.563 29.305 -11.451 1.00 0.00 C ATOM 901 O PHE B 26 10.663 28.382 -10.667 1.00 0.00 O ATOM 902 CB PHE B 26 8.366 30.039 -12.430 1.00 0.00 C ATOM 903 CG PHE B 26 8.338 31.210 -13.383 1.00 0.00 C ATOM 904 CD1 PHE B 26 7.803 31.055 -14.667 1.00 0.00 C ATOM 905 CD2 PHE B 26 8.847 32.451 -12.981 1.00 0.00 C ATOM 906 CE1 PHE B 26 7.777 32.140 -15.551 1.00 0.00 C ATOM 907 CE2 PHE B 26 8.821 33.536 -13.865 1.00 0.00 C ATOM 908 CZ PHE B 26 8.286 33.381 -15.149 1.00 0.00 C ATOM 0 H PHE B 26 8.875 27.338 -11.998 1.00 0.00 H new ATOM 0 HA PHE B 26 10.201 29.584 -13.523 1.00 0.00 H new ATOM 0 HB2 PHE B 26 7.485 29.415 -12.578 1.00 0.00 H new ATOM 0 HB3 PHE B 26 8.335 30.394 -11.400 1.00 0.00 H new ATOM 0 HD1 PHE B 26 7.410 30.098 -14.976 1.00 0.00 H new ATOM 0 HD2 PHE B 26 9.259 32.571 -11.990 1.00 0.00 H new ATOM 0 HE1 PHE B 26 7.365 32.020 -16.542 1.00 0.00 H new ATOM 0 HE2 PHE B 26 9.214 34.493 -13.556 1.00 0.00 H new ATOM 0 HZ PHE B 26 8.266 34.219 -15.830 1.00 0.00 H new ATOM 918 N TYR B 27 11.243 30.408 -11.289 1.00 0.00 N ATOM 919 CA TYR B 27 12.164 30.551 -10.125 1.00 0.00 C ATOM 920 C TYR B 27 11.848 31.838 -9.357 1.00 0.00 C ATOM 921 O TYR B 27 11.985 31.902 -8.151 1.00 0.00 O ATOM 922 CB TYR B 27 13.565 30.621 -10.734 1.00 0.00 C ATOM 923 CG TYR B 27 13.772 29.443 -11.656 1.00 0.00 C ATOM 924 CD1 TYR B 27 13.296 28.177 -11.293 1.00 0.00 C ATOM 925 CD2 TYR B 27 14.439 29.617 -12.874 1.00 0.00 C ATOM 926 CE1 TYR B 27 13.488 27.086 -12.148 1.00 0.00 C ATOM 927 CE2 TYR B 27 14.631 28.525 -13.729 1.00 0.00 C ATOM 928 CZ TYR B 27 14.155 27.259 -13.366 1.00 0.00 C ATOM 929 OH TYR B 27 14.345 26.183 -14.208 1.00 0.00 O ATOM 0 H TYR B 27 11.201 31.215 -11.911 1.00 0.00 H new ATOM 0 HA TYR B 27 12.068 29.727 -9.418 1.00 0.00 H new ATOM 0 HB2 TYR B 27 13.688 31.554 -11.285 1.00 0.00 H new ATOM 0 HB3 TYR B 27 14.317 30.616 -9.945 1.00 0.00 H new ATOM 0 HD1 TYR B 27 12.781 28.043 -10.353 1.00 0.00 H new ATOM 0 HD2 TYR B 27 14.806 30.593 -13.154 1.00 0.00 H new ATOM 0 HE1 TYR B 27 13.121 26.110 -11.868 1.00 0.00 H new ATOM 0 HE2 TYR B 27 15.146 28.659 -14.669 1.00 0.00 H new ATOM 0 HH TYR B 27 14.824 26.477 -15.011 1.00 0.00 H new ATOM 939 N ALA B 28 11.426 32.863 -10.045 1.00 0.00 N ATOM 940 CA ALA B 28 11.102 34.143 -9.353 1.00 0.00 C ATOM 941 C ALA B 28 12.180 34.473 -8.318 1.00 0.00 C ATOM 942 O ALA B 28 11.915 35.293 -7.455 1.00 0.00 O ATOM 943 CB ALA B 28 9.758 33.894 -8.668 1.00 0.00 C ATOM 944 OXT ALA B 28 13.253 33.900 -8.406 1.00 0.00 O ATOM 0 H ALA B 28 11.291 32.870 -11.056 1.00 0.00 H new ATOM 0 HA ALA B 28 11.057 34.986 -10.043 1.00 0.00 H new ATOM 0 HB1 ALA B 28 9.449 34.793 -8.135 1.00 0.00 H new ATOM 0 HB2 ALA B 28 9.009 33.642 -9.418 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.857 33.069 -7.962 1.00 0.00 H new TER 950 ALA B 28