USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 802 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 TYR OH : rot -130:sc= -0.0542 USER MOD Set 1.2: A 87 SER OG : rot -55:sc= 0.271 USER MOD Set 2.1: A 69 THR OG1 : rot 97:sc= -1.35 USER MOD Set 2.2: A 71 SER OG : rot 179:sc= 0.211 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0408 (180deg=-0.19) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.04 (180deg=-0.403) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -3.03! C(o=-3!,f=-15!) USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= -0.345 (180deg=-0.365) USER MOD Single : A 9 TYR OH : rot 180:sc= 0.0179 USER MOD Single : A 12 SER OG : rot -64:sc= 0.515 USER MOD Single : A 15 HIS : no HD1:sc= -0.0788 X(o=-0.079,f=-0.27) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.965 F(o=-1.6,f=-0.96) USER MOD Single : A 22 GLN : amide:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.864! C(o=-0.86!,f=-6.4!) USER MOD Single : A 32 MET CE :methyl -139:sc= -13.3! (180deg=-24!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.453 X(o=-0.45,f=0) USER MOD Single : A 39 THR OG1 : rot -142:sc= -1.31! USER MOD Single : A 42 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.39) USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= -3.2! (180deg=-4.09!) USER MOD Single : A 49 HIS : no HD1:sc= -2.77! C(o=-2.8!,f=-4.2!) USER MOD Single : A 52 GLN : amide:sc= -0.874 K(o=-0.87,f=-6.6!) USER MOD Single : A 53 ASN : amide:sc= -0.276 K(o=-0.28,f=-3.4!) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.77 F(o=-2.5!,f=-1.8) USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 0.0142 (180deg=-0.423) USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0279) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -78:sc= -0.204 USER MOD Single : A 75 GLN : amide:sc= -2.75 K(o=-2.7,f=-8.8!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -2.66 K(o=-2.7,f=-8.6!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.396 6.296 1.586 1.00 0.00 N ATOM 2 CA MET A 1 -8.272 7.567 0.813 1.00 0.00 C ATOM 3 C MET A 1 -9.059 7.477 -0.494 1.00 0.00 C ATOM 4 O MET A 1 -9.869 8.329 -0.801 1.00 0.00 O ATOM 5 CB MET A 1 -6.781 7.711 0.517 1.00 0.00 C ATOM 6 CG MET A 1 -6.187 8.811 1.399 1.00 0.00 C ATOM 7 SD MET A 1 -6.102 8.233 3.111 1.00 0.00 S ATOM 8 CE MET A 1 -7.278 9.417 3.811 1.00 0.00 C ATOM 0 H1 MET A 1 -7.618 6.230 2.273 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.306 6.284 2.090 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.351 5.487 0.934 1.00 0.00 H new ATOM 0 HA MET A 1 -8.667 8.418 1.367 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.270 6.766 0.703 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.630 7.953 -0.535 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.191 9.078 1.044 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.799 9.711 1.338 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.198 9.409 4.898 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.054 10.416 3.438 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.291 9.139 3.519 1.00 0.00 H new ATOM 20 N LEU A 2 -8.823 6.457 -1.274 1.00 0.00 N ATOM 21 CA LEU A 2 -9.557 6.326 -2.560 1.00 0.00 C ATOM 22 C LEU A 2 -10.927 5.720 -2.338 1.00 0.00 C ATOM 23 O LEU A 2 -11.157 4.962 -1.416 1.00 0.00 O ATOM 24 CB LEU A 2 -8.702 5.442 -3.452 1.00 0.00 C ATOM 25 CG LEU A 2 -9.276 5.496 -4.865 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.147 5.412 -5.892 1.00 0.00 C ATOM 27 CD2 LEU A 2 -10.224 4.325 -5.050 1.00 0.00 C ATOM 0 H LEU A 2 -8.155 5.712 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.722 7.299 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.667 5.785 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.699 4.417 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.810 6.435 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.566 5.451 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.464 6.249 -5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.605 4.475 -5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.642 4.351 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.681 3.391 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -11.031 4.391 -4.320 1.00 0.00 H new ATOM 39 N THR A 3 -11.845 6.096 -3.169 1.00 0.00 N ATOM 40 CA THR A 3 -13.234 5.608 -3.023 1.00 0.00 C ATOM 41 C THR A 3 -13.702 4.907 -4.309 1.00 0.00 C ATOM 42 O THR A 3 -13.067 4.977 -5.340 1.00 0.00 O ATOM 43 CB THR A 3 -14.004 6.898 -2.690 1.00 0.00 C ATOM 44 OG1 THR A 3 -14.667 6.733 -1.446 1.00 0.00 O ATOM 45 CG2 THR A 3 -15.037 7.270 -3.765 1.00 0.00 C ATOM 0 H THR A 3 -11.691 6.729 -3.954 1.00 0.00 H new ATOM 0 HA THR A 3 -13.377 4.847 -2.256 1.00 0.00 H new ATOM 0 HB THR A 3 -13.277 7.709 -2.645 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.159 7.552 -1.226 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.549 8.188 -3.476 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.531 7.422 -4.719 1.00 0.00 H new ATOM 0 HG23 THR A 3 -15.765 6.465 -3.864 1.00 0.00 H new ATOM 53 N GLY A 4 -14.806 4.223 -4.236 1.00 0.00 N ATOM 54 CA GLY A 4 -15.334 3.492 -5.429 1.00 0.00 C ATOM 55 C GLY A 4 -15.302 4.381 -6.678 1.00 0.00 C ATOM 56 O GLY A 4 -14.835 3.974 -7.725 1.00 0.00 O ATOM 0 H GLY A 4 -15.375 4.135 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.740 2.595 -5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.356 3.166 -5.237 1.00 0.00 H new ATOM 60 N LYS A 5 -15.804 5.581 -6.589 1.00 0.00 N ATOM 61 CA LYS A 5 -15.812 6.475 -7.787 1.00 0.00 C ATOM 62 C LYS A 5 -14.385 6.760 -8.269 1.00 0.00 C ATOM 63 O LYS A 5 -14.105 6.721 -9.453 1.00 0.00 O ATOM 64 CB LYS A 5 -16.488 7.765 -7.320 1.00 0.00 C ATOM 65 CG LYS A 5 -16.459 8.798 -8.449 1.00 0.00 C ATOM 66 CD LYS A 5 -17.781 9.571 -8.472 1.00 0.00 C ATOM 67 CE LYS A 5 -17.593 10.924 -7.783 1.00 0.00 C ATOM 68 NZ LYS A 5 -18.727 11.761 -8.265 1.00 0.00 N ATOM 0 H LYS A 5 -16.208 5.983 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 5 -16.336 6.018 -8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.518 7.562 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.977 8.158 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.626 9.486 -8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.300 8.301 -9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.111 9.717 -9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.558 8.998 -7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.612 10.821 -6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.634 11.370 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.668 12.706 -7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.679 11.847 -9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.627 11.315 -7.996 1.00 0.00 H new ATOM 82 N GLN A 6 -13.477 7.044 -7.375 1.00 0.00 N ATOM 83 CA GLN A 6 -12.085 7.325 -7.804 1.00 0.00 C ATOM 84 C GLN A 6 -11.452 6.036 -8.324 1.00 0.00 C ATOM 85 O GLN A 6 -10.602 6.048 -9.192 1.00 0.00 O ATOM 86 CB GLN A 6 -11.397 7.827 -6.539 1.00 0.00 C ATOM 87 CG GLN A 6 -12.125 9.081 -6.037 1.00 0.00 C ATOM 88 CD GLN A 6 -11.870 9.264 -4.541 1.00 0.00 C ATOM 89 OE1 GLN A 6 -11.262 8.426 -3.911 1.00 0.00 O ATOM 90 NE2 GLN A 6 -12.312 10.336 -3.941 1.00 0.00 N ATOM 0 H GLN A 6 -13.642 7.093 -6.370 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.010 8.055 -8.610 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.409 7.053 -5.772 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.351 8.056 -6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.778 9.958 -6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.195 8.991 -6.224 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.824 11.042 -4.470 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.145 10.467 -2.943 1.00 0.00 H new ATOM 99 N LYS A 7 -11.893 4.920 -7.816 1.00 0.00 N ATOM 100 CA LYS A 7 -11.362 3.612 -8.287 1.00 0.00 C ATOM 101 C LYS A 7 -11.812 3.392 -9.730 1.00 0.00 C ATOM 102 O LYS A 7 -11.060 2.947 -10.561 1.00 0.00 O ATOM 103 CB LYS A 7 -12.003 2.585 -7.350 1.00 0.00 C ATOM 104 CG LYS A 7 -11.778 1.170 -7.885 1.00 0.00 C ATOM 105 CD LYS A 7 -12.301 0.153 -6.868 1.00 0.00 C ATOM 106 CE LYS A 7 -11.566 0.334 -5.537 1.00 0.00 C ATOM 107 NZ LYS A 7 -12.561 0.971 -4.629 1.00 0.00 N ATOM 0 H LYS A 7 -12.605 4.858 -7.088 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.274 3.547 -8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.576 2.676 -6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.071 2.782 -7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.291 1.044 -8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.717 1.004 -8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.373 0.286 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.153 -0.860 -7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.226 -0.623 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.683 0.961 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.152 1.065 -3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.810 1.913 -4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.416 0.381 -4.582 1.00 0.00 H new ATOM 121 N ARG A 8 -13.037 3.710 -10.035 1.00 0.00 N ATOM 122 CA ARG A 8 -13.524 3.521 -11.430 1.00 0.00 C ATOM 123 C ARG A 8 -12.581 4.222 -12.418 1.00 0.00 C ATOM 124 O ARG A 8 -12.075 3.623 -13.349 1.00 0.00 O ATOM 125 CB ARG A 8 -14.910 4.170 -11.452 1.00 0.00 C ATOM 126 CG ARG A 8 -15.557 3.944 -12.821 1.00 0.00 C ATOM 127 CD ARG A 8 -17.079 3.883 -12.665 1.00 0.00 C ATOM 128 NE ARG A 8 -17.612 4.717 -13.778 1.00 0.00 N ATOM 129 CZ ARG A 8 -17.863 5.983 -13.583 1.00 0.00 C ATOM 130 NH1 ARG A 8 -17.089 6.692 -12.807 1.00 0.00 N ATOM 131 NH2 ARG A 8 -18.888 6.541 -14.167 1.00 0.00 N ATOM 0 H ARG A 8 -13.721 4.092 -9.382 1.00 0.00 H new ATOM 0 HA ARG A 8 -13.561 2.471 -11.720 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.535 3.744 -10.667 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.827 5.238 -11.249 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.283 4.750 -13.502 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -15.189 3.017 -13.260 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.442 2.857 -12.731 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -17.393 4.271 -11.696 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.781 4.299 -14.693 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.287 6.257 -12.352 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.287 7.681 -12.656 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -19.492 5.988 -14.775 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -19.085 7.530 -14.015 1.00 0.00 H new ATOM 145 N TYR A 9 -12.341 5.489 -12.215 1.00 0.00 N ATOM 146 CA TYR A 9 -11.436 6.243 -13.134 1.00 0.00 C ATOM 147 C TYR A 9 -10.021 5.680 -13.099 1.00 0.00 C ATOM 148 O TYR A 9 -9.406 5.438 -14.119 1.00 0.00 O ATOM 149 CB TYR A 9 -11.409 7.665 -12.578 1.00 0.00 C ATOM 150 CG TYR A 9 -12.793 8.260 -12.645 1.00 0.00 C ATOM 151 CD1 TYR A 9 -13.557 8.128 -13.810 1.00 0.00 C ATOM 152 CD2 TYR A 9 -13.313 8.941 -11.540 1.00 0.00 C ATOM 153 CE1 TYR A 9 -14.842 8.678 -13.870 1.00 0.00 C ATOM 154 CE2 TYR A 9 -14.598 9.491 -11.599 1.00 0.00 C ATOM 155 CZ TYR A 9 -15.363 9.360 -12.764 1.00 0.00 C ATOM 156 OH TYR A 9 -16.631 9.902 -12.821 1.00 0.00 O ATOM 0 H TYR A 9 -12.733 6.038 -11.450 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.786 6.184 -14.164 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -11.055 7.657 -11.547 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.711 8.277 -13.150 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -13.155 7.602 -14.663 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -12.723 9.042 -10.641 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -15.432 8.576 -14.769 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -15.000 10.017 -10.746 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.838 10.340 -11.969 1.00 0.00 H new ATOM 166 N LEU A 10 -9.488 5.519 -11.928 1.00 0.00 N ATOM 167 CA LEU A 10 -8.093 5.029 -11.803 1.00 0.00 C ATOM 168 C LEU A 10 -7.968 3.547 -12.136 1.00 0.00 C ATOM 169 O LEU A 10 -7.071 3.144 -12.852 1.00 0.00 O ATOM 170 CB LEU A 10 -7.730 5.283 -10.347 1.00 0.00 C ATOM 171 CG LEU A 10 -6.473 6.131 -10.311 1.00 0.00 C ATOM 172 CD1 LEU A 10 -6.178 6.564 -8.881 1.00 0.00 C ATOM 173 CD2 LEU A 10 -5.307 5.297 -10.830 1.00 0.00 C ATOM 0 H LEU A 10 -9.961 5.707 -11.044 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.430 5.538 -12.503 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.547 5.792 -9.835 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.567 4.340 -9.826 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.613 7.017 -10.931 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.274 7.172 -8.864 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.015 7.147 -8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.034 5.682 -8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.395 5.894 -10.810 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.179 4.418 -10.198 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.512 4.982 -11.853 1.00 0.00 H new ATOM 185 N ARG A 11 -8.835 2.724 -11.622 1.00 0.00 N ATOM 186 CA ARG A 11 -8.731 1.268 -11.915 1.00 0.00 C ATOM 187 C ARG A 11 -8.608 1.050 -13.429 1.00 0.00 C ATOM 188 O ARG A 11 -7.965 0.126 -13.886 1.00 0.00 O ATOM 189 CB ARG A 11 -10.032 0.651 -11.392 1.00 0.00 C ATOM 190 CG ARG A 11 -10.115 -0.821 -11.812 1.00 0.00 C ATOM 191 CD ARG A 11 -10.983 -0.947 -13.066 1.00 0.00 C ATOM 192 NE ARG A 11 -12.364 -1.163 -12.553 1.00 0.00 N ATOM 193 CZ ARG A 11 -12.932 -2.330 -12.679 1.00 0.00 C ATOM 194 NH1 ARG A 11 -12.989 -2.903 -13.850 1.00 0.00 N ATOM 195 NH2 ARG A 11 -13.439 -2.925 -11.635 1.00 0.00 N ATOM 0 H ARG A 11 -9.608 2.993 -11.014 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.856 0.816 -11.447 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.072 0.731 -10.306 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.889 1.199 -11.784 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.116 -1.211 -12.008 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.537 -1.417 -11.003 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.925 -0.048 -13.679 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.658 -1.780 -13.690 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.866 -0.398 -12.103 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.590 -2.438 -14.665 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.433 -3.816 -13.950 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.391 -2.477 -10.720 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.883 -3.838 -11.734 1.00 0.00 H new ATOM 209 N SER A 12 -9.229 1.900 -14.208 1.00 0.00 N ATOM 210 CA SER A 12 -9.155 1.749 -15.689 1.00 0.00 C ATOM 211 C SER A 12 -7.827 2.300 -16.220 1.00 0.00 C ATOM 212 O SER A 12 -7.264 1.781 -17.163 1.00 0.00 O ATOM 213 CB SER A 12 -10.324 2.569 -16.230 1.00 0.00 C ATOM 214 OG SER A 12 -10.026 3.952 -16.101 1.00 0.00 O ATOM 0 H SER A 12 -9.783 2.691 -13.880 1.00 0.00 H new ATOM 0 HA SER A 12 -9.209 0.704 -15.996 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.505 2.320 -17.276 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.236 2.329 -15.683 1.00 0.00 H new ATOM 0 HG SER A 12 -9.943 4.182 -15.152 1.00 0.00 H new ATOM 220 N LEU A 13 -7.320 3.349 -15.627 1.00 0.00 N ATOM 221 CA LEU A 13 -6.032 3.920 -16.112 1.00 0.00 C ATOM 222 C LEU A 13 -4.948 2.851 -16.112 1.00 0.00 C ATOM 223 O LEU A 13 -4.257 2.673 -17.087 1.00 0.00 O ATOM 224 CB LEU A 13 -5.678 5.011 -15.088 1.00 0.00 C ATOM 225 CG LEU A 13 -6.442 6.337 -15.324 1.00 0.00 C ATOM 226 CD1 LEU A 13 -5.451 7.409 -15.774 1.00 0.00 C ATOM 227 CD2 LEU A 13 -7.542 6.201 -16.389 1.00 0.00 C ATOM 0 H LEU A 13 -7.740 3.832 -14.833 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.112 4.305 -17.128 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.899 4.645 -14.085 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.606 5.204 -15.128 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.922 6.611 -14.384 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.981 8.347 -15.943 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.695 7.553 -15.002 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.969 7.093 -16.699 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.046 7.159 -16.516 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.096 5.898 -17.336 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.265 5.450 -16.072 1.00 0.00 H new ATOM 239 N ALA A 14 -4.806 2.148 -15.023 1.00 0.00 N ATOM 240 CA ALA A 14 -3.760 1.086 -14.925 1.00 0.00 C ATOM 241 C ALA A 14 -3.857 0.092 -16.092 1.00 0.00 C ATOM 242 O ALA A 14 -2.914 -0.608 -16.404 1.00 0.00 O ATOM 243 CB ALA A 14 -4.077 0.363 -13.626 1.00 0.00 C ATOM 0 H ALA A 14 -5.376 2.264 -14.185 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.757 1.511 -14.955 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.355 -0.439 -13.470 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.022 1.067 -12.795 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.081 -0.058 -13.679 1.00 0.00 H new ATOM 249 N HIS A 15 -5.001 -0.001 -16.709 1.00 0.00 N ATOM 250 CA HIS A 15 -5.185 -0.978 -17.825 1.00 0.00 C ATOM 251 C HIS A 15 -4.140 -0.805 -18.938 1.00 0.00 C ATOM 252 O HIS A 15 -3.587 -1.772 -19.423 1.00 0.00 O ATOM 253 CB HIS A 15 -6.585 -0.688 -18.367 1.00 0.00 C ATOM 254 CG HIS A 15 -7.149 -1.934 -18.992 1.00 0.00 C ATOM 255 ND1 HIS A 15 -7.204 -3.139 -18.311 1.00 0.00 N ATOM 256 CD2 HIS A 15 -7.686 -2.178 -20.232 1.00 0.00 C ATOM 257 CE1 HIS A 15 -7.759 -4.046 -19.136 1.00 0.00 C ATOM 258 NE2 HIS A 15 -8.070 -3.513 -20.320 1.00 0.00 N ATOM 0 H HIS A 15 -5.824 0.560 -16.489 1.00 0.00 H new ATOM 0 HA HIS A 15 -5.065 -2.001 -17.469 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -7.235 -0.346 -17.561 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.542 0.114 -19.104 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.794 -1.446 -21.019 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.932 -5.079 -18.872 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.497 -3.983 -21.118 1.00 0.00 H new ATOM 266 N ASN A 16 -3.883 0.399 -19.371 1.00 0.00 N ATOM 267 CA ASN A 16 -2.896 0.587 -20.480 1.00 0.00 C ATOM 268 C ASN A 16 -1.506 0.956 -19.950 1.00 0.00 C ATOM 269 O ASN A 16 -0.637 1.350 -20.703 1.00 0.00 O ATOM 270 CB ASN A 16 -3.466 1.732 -21.314 1.00 0.00 C ATOM 271 CG ASN A 16 -2.550 1.996 -22.511 1.00 0.00 C ATOM 272 OD1 ASN A 16 -1.657 2.945 -22.436 1.00 0.00 O flip ATOM 273 ND2 ASN A 16 -2.646 1.332 -23.523 1.00 0.00 N flip ATOM 0 H ASN A 16 -4.307 1.254 -19.012 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.762 -0.330 -21.053 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.469 1.481 -21.659 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.554 2.631 -20.704 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.344 0.590 -23.582 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.029 1.516 -24.314 1.00 0.00 H new ATOM 280 N ILE A 17 -1.285 0.852 -18.672 1.00 0.00 N ATOM 281 CA ILE A 17 0.042 1.216 -18.115 1.00 0.00 C ATOM 282 C ILE A 17 0.888 -0.047 -17.906 1.00 0.00 C ATOM 283 O ILE A 17 0.423 -1.155 -18.088 1.00 0.00 O ATOM 284 CB ILE A 17 -0.252 1.910 -16.779 1.00 0.00 C ATOM 285 CG1 ILE A 17 -1.618 2.626 -16.848 1.00 0.00 C ATOM 286 CG2 ILE A 17 0.843 2.926 -16.520 1.00 0.00 C ATOM 287 CD1 ILE A 17 -1.757 3.686 -15.754 1.00 0.00 C ATOM 0 H ILE A 17 -1.969 0.529 -17.988 1.00 0.00 H new ATOM 0 HA ILE A 17 0.607 1.867 -18.783 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.283 1.174 -15.975 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.734 3.094 -17.825 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.419 1.893 -16.748 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.653 3.432 -15.573 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.807 2.419 -16.474 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.857 3.659 -17.327 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.731 4.168 -15.836 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.667 3.213 -14.776 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.972 4.433 -15.870 1.00 0.00 H new ATOM 299 N ASP A 18 2.127 0.116 -17.539 1.00 0.00 N ATOM 300 CA ASP A 18 3.018 -1.063 -17.331 1.00 0.00 C ATOM 301 C ASP A 18 3.249 -1.312 -15.835 1.00 0.00 C ATOM 302 O ASP A 18 3.259 -0.387 -15.054 1.00 0.00 O ATOM 303 CB ASP A 18 4.332 -0.690 -18.018 1.00 0.00 C ATOM 304 CG ASP A 18 4.285 -1.131 -19.481 1.00 0.00 C ATOM 305 OD1 ASP A 18 4.481 -2.309 -19.731 1.00 0.00 O ATOM 306 OD2 ASP A 18 4.056 -0.284 -20.327 1.00 0.00 O ATOM 0 H ASP A 18 2.566 1.021 -17.372 1.00 0.00 H new ATOM 0 HA ASP A 18 2.585 -1.977 -17.736 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.494 0.386 -17.956 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.169 -1.168 -17.510 1.00 0.00 H new ATOM 311 N PRO A 19 3.429 -2.562 -15.482 1.00 0.00 N ATOM 312 CA PRO A 19 3.660 -2.930 -14.057 1.00 0.00 C ATOM 313 C PRO A 19 4.942 -2.277 -13.532 1.00 0.00 C ATOM 314 O PRO A 19 6.037 -2.650 -13.902 1.00 0.00 O ATOM 315 CB PRO A 19 3.780 -4.455 -14.102 1.00 0.00 C ATOM 316 CG PRO A 19 4.184 -4.755 -15.507 1.00 0.00 C ATOM 317 CD PRO A 19 3.468 -3.741 -16.357 1.00 0.00 C ATOM 0 HA PRO A 19 2.868 -2.594 -13.387 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.522 -4.816 -13.390 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.835 -4.935 -13.849 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.264 -4.677 -15.630 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.904 -5.770 -15.788 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.003 -3.540 -17.285 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.468 -4.076 -16.632 1.00 0.00 H new ATOM 325 N ILE A 20 4.803 -1.292 -12.676 1.00 0.00 N ATOM 326 CA ILE A 20 6.002 -0.587 -12.115 1.00 0.00 C ATOM 327 C ILE A 20 7.083 -1.613 -11.698 1.00 0.00 C ATOM 328 O ILE A 20 8.196 -1.552 -12.175 1.00 0.00 O ATOM 329 CB ILE A 20 5.461 0.293 -10.959 1.00 0.00 C ATOM 330 CG1 ILE A 20 6.616 0.813 -10.074 1.00 0.00 C ATOM 331 CG2 ILE A 20 4.407 -0.447 -10.122 1.00 0.00 C ATOM 332 CD1 ILE A 20 6.918 -0.147 -8.922 1.00 0.00 C ATOM 0 H ILE A 20 3.905 -0.944 -12.340 1.00 0.00 H new ATOM 0 HA ILE A 20 6.510 0.051 -12.838 1.00 0.00 H new ATOM 0 HB ILE A 20 4.966 1.154 -11.408 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.511 0.945 -10.683 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.356 1.793 -9.673 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.054 0.205 -9.323 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.568 -0.728 -10.759 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.850 -1.344 -9.689 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.736 0.251 -8.321 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.031 -0.258 -8.299 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.203 -1.119 -9.324 1.00 0.00 H new ATOM 344 N PHE A 21 6.762 -2.587 -10.878 1.00 0.00 N ATOM 345 CA PHE A 21 7.773 -3.633 -10.518 1.00 0.00 C ATOM 346 C PHE A 21 7.054 -4.977 -10.343 1.00 0.00 C ATOM 347 O PHE A 21 5.847 -5.028 -10.199 1.00 0.00 O ATOM 348 CB PHE A 21 8.434 -3.190 -9.209 1.00 0.00 C ATOM 349 CG PHE A 21 9.476 -2.114 -9.473 1.00 0.00 C ATOM 350 CD1 PHE A 21 10.265 -2.135 -10.636 1.00 0.00 C ATOM 351 CD2 PHE A 21 9.646 -1.083 -8.544 1.00 0.00 C ATOM 352 CE1 PHE A 21 11.209 -1.126 -10.862 1.00 0.00 C ATOM 353 CE2 PHE A 21 10.588 -0.074 -8.774 1.00 0.00 C ATOM 354 CZ PHE A 21 11.367 -0.094 -9.931 1.00 0.00 C ATOM 0 H PHE A 21 5.846 -2.703 -10.444 1.00 0.00 H new ATOM 0 HA PHE A 21 8.530 -3.751 -11.293 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.677 -2.810 -8.523 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.902 -4.046 -8.724 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.143 -2.930 -11.356 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.048 -1.065 -7.645 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.815 -1.144 -11.755 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.712 0.722 -8.054 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.092 0.687 -10.108 1.00 0.00 H new ATOM 364 N GLN A 22 7.771 -6.066 -10.385 1.00 0.00 N ATOM 365 CA GLN A 22 7.100 -7.392 -10.252 1.00 0.00 C ATOM 366 C GLN A 22 7.372 -8.037 -8.887 1.00 0.00 C ATOM 367 O GLN A 22 8.451 -7.935 -8.335 1.00 0.00 O ATOM 368 CB GLN A 22 7.701 -8.244 -11.373 1.00 0.00 C ATOM 369 CG GLN A 22 9.201 -8.432 -11.127 1.00 0.00 C ATOM 370 CD GLN A 22 9.981 -8.021 -12.377 1.00 0.00 C ATOM 371 OE1 GLN A 22 10.158 -8.811 -13.283 1.00 0.00 O ATOM 372 NE2 GLN A 22 10.457 -6.809 -12.464 1.00 0.00 N ATOM 0 H GLN A 22 8.783 -6.097 -10.505 1.00 0.00 H new ATOM 0 HA GLN A 22 6.016 -7.298 -10.325 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.204 -9.213 -11.413 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.538 -7.762 -12.337 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.518 -7.832 -10.274 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.412 -9.473 -10.880 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.308 -6.147 -11.703 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.978 -6.524 -13.293 1.00 0.00 H new ATOM 381 N ILE A 23 6.393 -8.720 -8.357 1.00 0.00 N ATOM 382 CA ILE A 23 6.554 -9.410 -7.041 1.00 0.00 C ATOM 383 C ILE A 23 7.246 -10.758 -7.278 1.00 0.00 C ATOM 384 O ILE A 23 6.988 -11.416 -8.265 1.00 0.00 O ATOM 385 CB ILE A 23 5.104 -9.582 -6.543 1.00 0.00 C ATOM 386 CG1 ILE A 23 4.748 -8.418 -5.601 1.00 0.00 C ATOM 387 CG2 ILE A 23 4.881 -10.943 -5.833 1.00 0.00 C ATOM 388 CD1 ILE A 23 5.304 -8.664 -4.197 1.00 0.00 C ATOM 0 H ILE A 23 5.474 -8.831 -8.786 1.00 0.00 H new ATOM 0 HA ILE A 23 7.162 -8.871 -6.315 1.00 0.00 H new ATOM 0 HB ILE A 23 4.447 -9.571 -7.412 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.151 -7.487 -5.998 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.665 -8.302 -5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.845 -11.015 -5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.097 -11.755 -6.527 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.544 -11.017 -4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.040 -7.828 -3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.880 -9.584 -3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.389 -8.756 -4.246 1.00 0.00 H new ATOM 400 N GLY A 24 8.097 -11.179 -6.381 1.00 0.00 N ATOM 401 CA GLY A 24 8.783 -12.490 -6.564 1.00 0.00 C ATOM 402 C GLY A 24 7.805 -13.621 -6.258 1.00 0.00 C ATOM 403 O GLY A 24 6.860 -13.451 -5.515 1.00 0.00 O ATOM 0 H GLY A 24 8.346 -10.673 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.152 -12.580 -7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.649 -12.555 -5.905 1.00 0.00 H new ATOM 407 N LYS A 25 8.021 -14.777 -6.825 1.00 0.00 N ATOM 408 CA LYS A 25 7.095 -15.910 -6.561 1.00 0.00 C ATOM 409 C LYS A 25 7.358 -16.494 -5.174 1.00 0.00 C ATOM 410 O LYS A 25 8.447 -16.945 -4.872 1.00 0.00 O ATOM 411 CB LYS A 25 7.386 -16.937 -7.659 1.00 0.00 C ATOM 412 CG LYS A 25 6.591 -18.219 -7.390 1.00 0.00 C ATOM 413 CD LYS A 25 6.621 -19.114 -8.631 1.00 0.00 C ATOM 414 CE LYS A 25 7.249 -20.464 -8.277 1.00 0.00 C ATOM 415 NZ LYS A 25 6.098 -21.357 -7.966 1.00 0.00 N ATOM 0 H LYS A 25 8.795 -14.983 -7.456 1.00 0.00 H new ATOM 0 HA LYS A 25 6.050 -15.601 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.117 -16.528 -8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.453 -17.159 -7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.015 -18.749 -6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.561 -17.972 -7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.610 -19.261 -9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.193 -18.633 -9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.838 -20.855 -9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.921 -20.375 -7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.450 -22.302 -7.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.559 -20.964 -7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.479 -21.429 -8.799 1.00 0.00 H new ATOM 429 N GLY A 26 6.367 -16.481 -4.330 1.00 0.00 N ATOM 430 CA GLY A 26 6.544 -17.023 -2.957 1.00 0.00 C ATOM 431 C GLY A 26 5.782 -16.139 -1.970 1.00 0.00 C ATOM 432 O GLY A 26 5.146 -16.622 -1.054 1.00 0.00 O ATOM 0 H GLY A 26 5.437 -16.116 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.176 -18.048 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.602 -17.052 -2.697 1.00 0.00 H new ATOM 436 N GLY A 27 5.838 -14.846 -2.151 1.00 0.00 N ATOM 437 CA GLY A 27 5.119 -13.933 -1.227 1.00 0.00 C ATOM 438 C GLY A 27 5.691 -12.533 -1.394 1.00 0.00 C ATOM 439 O GLY A 27 6.781 -12.362 -1.902 1.00 0.00 O ATOM 0 H GLY A 27 6.353 -14.386 -2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.051 -13.935 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.233 -14.269 -0.196 1.00 0.00 H new ATOM 443 N ILE A 28 4.973 -11.527 -0.986 1.00 0.00 N ATOM 444 CA ILE A 28 5.508 -10.150 -1.149 1.00 0.00 C ATOM 445 C ILE A 28 6.767 -9.983 -0.293 1.00 0.00 C ATOM 446 O ILE A 28 6.723 -10.064 0.919 1.00 0.00 O ATOM 447 CB ILE A 28 4.384 -9.230 -0.665 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.270 -9.220 -1.705 1.00 0.00 C ATOM 449 CG2 ILE A 28 4.905 -7.800 -0.481 1.00 0.00 C ATOM 450 CD1 ILE A 28 1.977 -8.765 -1.048 1.00 0.00 C ATOM 0 H ILE A 28 4.052 -11.596 -0.553 1.00 0.00 H new ATOM 0 HA ILE A 28 5.792 -9.924 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 28 4.011 -9.598 0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.529 -8.552 -2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.145 -10.216 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.094 -7.159 -0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.708 -7.797 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.285 -7.426 -1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.177 -8.756 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.718 -9.451 -0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.108 -7.762 -0.643 1.00 0.00 H new ATOM 462 N ASN A 29 7.885 -9.746 -0.917 1.00 0.00 N ATOM 463 CA ASN A 29 9.153 -9.567 -0.151 1.00 0.00 C ATOM 464 C ASN A 29 9.477 -8.076 -0.009 1.00 0.00 C ATOM 465 O ASN A 29 9.345 -7.319 -0.950 1.00 0.00 O ATOM 466 CB ASN A 29 10.213 -10.262 -1.002 1.00 0.00 C ATOM 467 CG ASN A 29 10.995 -11.254 -0.139 1.00 0.00 C ATOM 468 OD1 ASN A 29 10.972 -12.443 -0.388 1.00 0.00 O ATOM 469 ND2 ASN A 29 11.688 -10.812 0.875 1.00 0.00 N ATOM 0 H ASN A 29 7.978 -9.668 -1.930 1.00 0.00 H new ATOM 0 HA ASN A 29 9.095 -9.977 0.857 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.741 -10.783 -1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.891 -9.524 -1.430 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.211 -11.465 1.459 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.707 -9.814 1.083 1.00 0.00 H new ATOM 476 N GLU A 30 9.905 -7.640 1.151 1.00 0.00 N ATOM 477 CA GLU A 30 10.231 -6.191 1.305 1.00 0.00 C ATOM 478 C GLU A 30 11.249 -5.777 0.250 1.00 0.00 C ATOM 479 O GLU A 30 11.096 -4.766 -0.390 1.00 0.00 O ATOM 480 CB GLU A 30 10.824 -6.017 2.702 1.00 0.00 C ATOM 481 CG GLU A 30 11.271 -4.556 2.873 1.00 0.00 C ATOM 482 CD GLU A 30 11.640 -4.301 4.335 1.00 0.00 C ATOM 483 OE1 GLU A 30 12.294 -5.150 4.917 1.00 0.00 O ATOM 484 OE2 GLU A 30 11.260 -3.261 4.849 1.00 0.00 O ATOM 0 H GLU A 30 10.040 -8.214 1.983 1.00 0.00 H new ATOM 0 HA GLU A 30 9.343 -5.571 1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.085 -6.277 3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.671 -6.689 2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.126 -4.349 2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.471 -3.882 2.566 1.00 0.00 H new ATOM 491 N ASN A 31 12.285 -6.555 0.051 1.00 0.00 N ATOM 492 CA ASN A 31 13.298 -6.190 -0.987 1.00 0.00 C ATOM 493 C ASN A 31 12.571 -5.873 -2.296 1.00 0.00 C ATOM 494 O ASN A 31 12.815 -4.869 -2.944 1.00 0.00 O ATOM 495 CB ASN A 31 14.180 -7.431 -1.137 1.00 0.00 C ATOM 496 CG ASN A 31 14.772 -7.804 0.224 1.00 0.00 C ATOM 497 OD1 ASN A 31 14.423 -7.220 1.231 1.00 0.00 O ATOM 498 ND2 ASN A 31 15.658 -8.759 0.297 1.00 0.00 N ATOM 0 H ASN A 31 12.472 -7.420 0.558 1.00 0.00 H new ATOM 0 HA ASN A 31 13.892 -5.316 -0.720 1.00 0.00 H new ATOM 0 HB2 ASN A 31 13.594 -8.261 -1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.979 -7.238 -1.853 1.00 0.00 H new ATOM 0 HD21 ASN A 31 16.058 -9.016 1.200 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.951 -9.249 -0.548 1.00 0.00 H new ATOM 505 N MET A 32 11.641 -6.702 -2.660 1.00 0.00 N ATOM 506 CA MET A 32 10.860 -6.433 -3.887 1.00 0.00 C ATOM 507 C MET A 32 10.083 -5.129 -3.687 1.00 0.00 C ATOM 508 O MET A 32 9.908 -4.353 -4.606 1.00 0.00 O ATOM 509 CB MET A 32 9.921 -7.630 -4.017 1.00 0.00 C ATOM 510 CG MET A 32 9.453 -7.780 -5.470 1.00 0.00 C ATOM 511 SD MET A 32 8.417 -6.372 -5.952 1.00 0.00 S ATOM 512 CE MET A 32 7.275 -6.424 -4.551 1.00 0.00 C ATOM 0 H MET A 32 11.389 -7.554 -2.160 1.00 0.00 H new ATOM 0 HA MET A 32 11.469 -6.316 -4.783 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.431 -8.538 -3.696 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.060 -7.499 -3.362 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.317 -7.847 -6.131 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.892 -8.708 -5.584 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.260 -6.239 -4.902 1.00 0.00 H new ATOM 0 HE2 MET A 32 7.323 -7.405 -4.079 1.00 0.00 H new ATOM 0 HE3 MET A 32 7.553 -5.659 -3.826 1.00 0.00 H new ATOM 522 N ILE A 33 9.632 -4.868 -2.483 1.00 0.00 N ATOM 523 CA ILE A 33 8.892 -3.600 -2.236 1.00 0.00 C ATOM 524 C ILE A 33 9.881 -2.445 -2.121 1.00 0.00 C ATOM 525 O ILE A 33 9.544 -1.313 -2.382 1.00 0.00 O ATOM 526 CB ILE A 33 8.134 -3.771 -0.921 1.00 0.00 C ATOM 527 CG1 ILE A 33 7.076 -4.864 -1.089 1.00 0.00 C ATOM 528 CG2 ILE A 33 7.448 -2.440 -0.566 1.00 0.00 C ATOM 529 CD1 ILE A 33 6.289 -5.016 0.212 1.00 0.00 C ATOM 0 H ILE A 33 9.745 -5.475 -1.671 1.00 0.00 H new ATOM 0 HA ILE A 33 8.204 -3.381 -3.053 1.00 0.00 H new ATOM 0 HB ILE A 33 8.823 -4.054 -0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.402 -4.610 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.552 -5.809 -1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.903 -2.550 0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.201 -1.660 -0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.753 -2.166 -1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.535 -5.794 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.969 -5.290 1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.800 -4.072 0.454 1.00 0.00 H new ATOM 541 N LYS A 34 11.108 -2.713 -1.741 1.00 0.00 N ATOM 542 CA LYS A 34 12.097 -1.606 -1.639 1.00 0.00 C ATOM 543 C LYS A 34 12.105 -0.885 -2.985 1.00 0.00 C ATOM 544 O LYS A 34 12.205 0.323 -3.074 1.00 0.00 O ATOM 545 CB LYS A 34 13.449 -2.264 -1.364 1.00 0.00 C ATOM 546 CG LYS A 34 13.496 -2.755 0.085 1.00 0.00 C ATOM 547 CD LYS A 34 14.942 -2.734 0.582 1.00 0.00 C ATOM 548 CE LYS A 34 15.136 -3.818 1.644 1.00 0.00 C ATOM 549 NZ LYS A 34 16.590 -3.784 1.965 1.00 0.00 N ATOM 0 H LYS A 34 11.459 -3.640 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 34 11.867 -0.888 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.604 -3.099 -2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.255 -1.552 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.874 -2.120 0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.092 -3.765 0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.626 -2.900 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.180 -1.755 0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.531 -3.617 2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.837 -4.797 1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.803 -4.501 2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.140 -3.985 1.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.844 -2.842 2.326 1.00 0.00 H new ATOM 563 N GLN A 35 11.941 -1.648 -4.034 1.00 0.00 N ATOM 564 CA GLN A 35 11.872 -1.055 -5.394 1.00 0.00 C ATOM 565 C GLN A 35 10.516 -0.357 -5.548 1.00 0.00 C ATOM 566 O GLN A 35 10.436 0.822 -5.831 1.00 0.00 O ATOM 567 CB GLN A 35 11.974 -2.243 -6.350 1.00 0.00 C ATOM 568 CG GLN A 35 13.267 -2.146 -7.159 1.00 0.00 C ATOM 569 CD GLN A 35 13.610 -3.522 -7.738 1.00 0.00 C ATOM 570 OE1 GLN A 35 14.766 -3.835 -7.943 1.00 0.00 O ATOM 571 NE2 GLN A 35 12.649 -4.364 -8.014 1.00 0.00 N ATOM 0 H GLN A 35 11.852 -2.664 -4.002 1.00 0.00 H new ATOM 0 HA GLN A 35 12.656 -0.322 -5.587 1.00 0.00 H new ATOM 0 HB2 GLN A 35 11.955 -3.177 -5.788 1.00 0.00 H new ATOM 0 HB3 GLN A 35 11.115 -2.257 -7.020 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.152 -1.419 -7.963 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.080 -1.793 -6.525 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.678 -4.103 -7.843 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.870 -5.282 -8.401 1.00 0.00 H new ATOM 580 N ILE A 36 9.446 -1.084 -5.330 1.00 0.00 N ATOM 581 CA ILE A 36 8.085 -0.475 -5.425 1.00 0.00 C ATOM 582 C ILE A 36 8.024 0.761 -4.526 1.00 0.00 C ATOM 583 O ILE A 36 7.247 1.670 -4.743 1.00 0.00 O ATOM 584 CB ILE A 36 7.135 -1.552 -4.908 1.00 0.00 C ATOM 585 CG1 ILE A 36 7.164 -2.734 -5.872 1.00 0.00 C ATOM 586 CG2 ILE A 36 5.710 -0.993 -4.830 1.00 0.00 C ATOM 587 CD1 ILE A 36 6.195 -3.813 -5.396 1.00 0.00 C ATOM 0 H ILE A 36 9.459 -2.075 -5.090 1.00 0.00 H new ATOM 0 HA ILE A 36 7.831 -0.163 -6.438 1.00 0.00 H new ATOM 0 HB ILE A 36 7.447 -1.872 -3.914 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.892 -2.404 -6.875 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.174 -3.140 -5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.036 -1.766 -4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.690 -0.140 -4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.389 -0.675 -5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.219 -4.655 -6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.487 -4.152 -4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.185 -3.404 -5.358 1.00 0.00 H new ATOM 599 N ASP A 37 8.842 0.788 -3.509 1.00 0.00 N ATOM 600 CA ASP A 37 8.851 1.941 -2.573 1.00 0.00 C ATOM 601 C ASP A 37 9.279 3.216 -3.307 1.00 0.00 C ATOM 602 O ASP A 37 8.570 4.200 -3.334 1.00 0.00 O ATOM 603 CB ASP A 37 9.880 1.573 -1.504 1.00 0.00 C ATOM 604 CG ASP A 37 9.786 2.562 -0.341 1.00 0.00 C ATOM 605 OD1 ASP A 37 9.667 3.747 -0.606 1.00 0.00 O ATOM 606 OD2 ASP A 37 9.832 2.118 0.794 1.00 0.00 O ATOM 0 H ASP A 37 9.511 0.050 -3.287 1.00 0.00 H new ATOM 0 HA ASP A 37 7.867 2.133 -2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.702 0.558 -1.147 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.883 1.590 -1.929 1.00 0.00 H new ATOM 611 N ASP A 38 10.441 3.202 -3.902 1.00 0.00 N ATOM 612 CA ASP A 38 10.920 4.410 -4.636 1.00 0.00 C ATOM 613 C ASP A 38 9.902 4.811 -5.706 1.00 0.00 C ATOM 614 O ASP A 38 9.712 5.976 -5.997 1.00 0.00 O ATOM 615 CB ASP A 38 12.238 3.982 -5.284 1.00 0.00 C ATOM 616 CG ASP A 38 13.067 5.220 -5.624 1.00 0.00 C ATOM 617 OD1 ASP A 38 13.029 6.166 -4.854 1.00 0.00 O ATOM 618 OD2 ASP A 38 13.728 5.202 -6.650 1.00 0.00 O ATOM 0 H ASP A 38 11.080 2.407 -3.912 1.00 0.00 H new ATOM 0 HA ASP A 38 11.050 5.270 -3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.794 3.334 -4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.040 3.405 -6.187 1.00 0.00 H new ATOM 623 N THR A 39 9.247 3.850 -6.292 1.00 0.00 N ATOM 624 CA THR A 39 8.237 4.163 -7.347 1.00 0.00 C ATOM 625 C THR A 39 6.924 4.610 -6.698 1.00 0.00 C ATOM 626 O THR A 39 6.412 5.679 -6.987 1.00 0.00 O ATOM 627 CB THR A 39 8.045 2.859 -8.132 1.00 0.00 C ATOM 628 OG1 THR A 39 8.936 1.865 -7.647 1.00 0.00 O ATOM 629 CG2 THR A 39 8.336 3.114 -9.610 1.00 0.00 C ATOM 0 H THR A 39 9.366 2.858 -6.087 1.00 0.00 H new ATOM 0 HA THR A 39 8.561 4.974 -8.000 1.00 0.00 H new ATOM 0 HB THR A 39 7.019 2.514 -8.008 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.267 1.328 -8.397 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.201 2.190 -10.172 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.652 3.873 -9.990 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.363 3.461 -9.724 1.00 0.00 H new ATOM 637 N LEU A 40 6.381 3.828 -5.800 1.00 0.00 N ATOM 638 CA LEU A 40 5.121 4.263 -5.139 1.00 0.00 C ATOM 639 C LEU A 40 5.409 5.554 -4.374 1.00 0.00 C ATOM 640 O LEU A 40 4.555 6.403 -4.217 1.00 0.00 O ATOM 641 CB LEU A 40 4.693 3.112 -4.213 1.00 0.00 C ATOM 642 CG LEU A 40 5.609 3.017 -2.991 1.00 0.00 C ATOM 643 CD1 LEU A 40 5.141 4.004 -1.920 1.00 0.00 C ATOM 644 CD2 LEU A 40 5.539 1.595 -2.429 1.00 0.00 C ATOM 0 H LEU A 40 6.749 2.925 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 40 4.314 4.472 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.664 3.266 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.717 2.171 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 40 6.632 3.256 -3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.795 3.935 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.175 5.018 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.119 3.764 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.188 1.516 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.513 1.369 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.866 0.886 -3.190 1.00 0.00 H new ATOM 656 N GLU A 41 6.631 5.727 -3.938 1.00 0.00 N ATOM 657 CA GLU A 41 6.992 6.985 -3.234 1.00 0.00 C ATOM 658 C GLU A 41 6.800 8.136 -4.217 1.00 0.00 C ATOM 659 O GLU A 41 6.361 9.211 -3.860 1.00 0.00 O ATOM 660 CB GLU A 41 8.465 6.826 -2.849 1.00 0.00 C ATOM 661 CG GLU A 41 8.973 8.125 -2.221 1.00 0.00 C ATOM 662 CD GLU A 41 9.096 7.950 -0.705 1.00 0.00 C ATOM 663 OE1 GLU A 41 8.481 7.036 -0.182 1.00 0.00 O ATOM 664 OE2 GLU A 41 9.802 8.734 -0.094 1.00 0.00 O ATOM 0 H GLU A 41 7.389 5.052 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 41 6.386 7.185 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.581 6.001 -2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.057 6.580 -3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.941 8.392 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.289 8.942 -2.448 1.00 0.00 H new ATOM 671 N ASN A 42 7.095 7.895 -5.470 1.00 0.00 N ATOM 672 CA ASN A 42 6.892 8.949 -6.502 1.00 0.00 C ATOM 673 C ASN A 42 5.394 9.250 -6.608 1.00 0.00 C ATOM 674 O ASN A 42 4.996 10.301 -7.067 1.00 0.00 O ATOM 675 CB ASN A 42 7.417 8.344 -7.805 1.00 0.00 C ATOM 676 CG ASN A 42 8.291 9.369 -8.531 1.00 0.00 C ATOM 677 OD1 ASN A 42 7.976 10.542 -8.560 1.00 0.00 O ATOM 678 ND2 ASN A 42 9.385 8.973 -9.121 1.00 0.00 N ATOM 0 H ASN A 42 7.468 7.012 -5.820 1.00 0.00 H new ATOM 0 HA ASN A 42 7.405 9.882 -6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.994 7.444 -7.593 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.584 8.046 -8.441 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.976 9.648 -9.606 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.650 7.988 -9.097 1.00 0.00 H new ATOM 685 N ARG A 43 4.569 8.318 -6.161 1.00 0.00 N ATOM 686 CA ARG A 43 3.070 8.485 -6.178 1.00 0.00 C ATOM 687 C ARG A 43 2.490 8.208 -7.569 1.00 0.00 C ATOM 688 O ARG A 43 3.044 7.452 -8.339 1.00 0.00 O ATOM 689 CB ARG A 43 2.758 9.928 -5.729 1.00 0.00 C ATOM 690 CG ARG A 43 3.641 10.311 -4.533 1.00 0.00 C ATOM 691 CD ARG A 43 2.762 10.749 -3.363 1.00 0.00 C ATOM 692 NE ARG A 43 3.527 11.838 -2.694 1.00 0.00 N ATOM 693 CZ ARG A 43 4.556 11.548 -1.945 1.00 0.00 C ATOM 694 NH1 ARG A 43 5.738 11.416 -2.483 1.00 0.00 N ATOM 695 NH2 ARG A 43 4.403 11.393 -0.658 1.00 0.00 N ATOM 0 H ARG A 43 4.882 7.427 -5.776 1.00 0.00 H new ATOM 0 HA ARG A 43 2.608 7.766 -5.501 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.930 10.619 -6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.706 10.013 -5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.259 9.463 -4.238 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.319 11.117 -4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.791 11.104 -3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.573 9.921 -2.679 1.00 0.00 H new ATOM 0 HE ARG A 43 3.247 12.810 -2.821 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.857 11.539 -3.488 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.542 11.189 -1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.480 11.498 -0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.207 11.166 -0.072 1.00 0.00 H new ATOM 709 N GLU A 44 1.358 8.805 -7.877 1.00 0.00 N ATOM 710 CA GLU A 44 0.683 8.593 -9.205 1.00 0.00 C ATOM 711 C GLU A 44 0.031 7.201 -9.263 1.00 0.00 C ATOM 712 O GLU A 44 -0.461 6.697 -8.272 1.00 0.00 O ATOM 713 CB GLU A 44 1.760 8.754 -10.295 1.00 0.00 C ATOM 714 CG GLU A 44 2.568 10.037 -10.052 1.00 0.00 C ATOM 715 CD GLU A 44 4.066 9.736 -10.146 1.00 0.00 C ATOM 716 OE1 GLU A 44 4.437 8.587 -9.973 1.00 0.00 O ATOM 717 OE2 GLU A 44 4.820 10.664 -10.390 1.00 0.00 O ATOM 0 H GLU A 44 0.864 9.442 -7.252 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.115 9.320 -9.356 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.425 7.890 -10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.291 8.791 -11.278 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.294 10.794 -10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.331 10.445 -9.069 1.00 0.00 H new ATOM 724 N LEU A 45 0.002 6.586 -10.420 1.00 0.00 N ATOM 725 CA LEU A 45 -0.643 5.242 -10.553 1.00 0.00 C ATOM 726 C LEU A 45 0.418 4.148 -10.725 1.00 0.00 C ATOM 727 O LEU A 45 1.195 4.167 -11.659 1.00 0.00 O ATOM 728 CB LEU A 45 -1.496 5.377 -11.818 1.00 0.00 C ATOM 729 CG LEU A 45 -2.201 4.059 -12.154 1.00 0.00 C ATOM 730 CD1 LEU A 45 -2.984 3.550 -10.946 1.00 0.00 C ATOM 731 CD2 LEU A 45 -3.178 4.312 -13.298 1.00 0.00 C ATOM 0 H LEU A 45 0.399 6.959 -11.282 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.227 4.960 -9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.237 6.164 -11.678 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.866 5.679 -12.654 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.456 3.314 -12.434 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.479 2.613 -11.202 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.301 3.384 -10.113 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.732 4.289 -10.660 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.690 3.384 -13.551 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.911 5.059 -12.992 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.632 4.675 -14.169 1.00 0.00 H new ATOM 743 N ILE A 46 0.451 3.191 -9.832 1.00 0.00 N ATOM 744 CA ILE A 46 1.463 2.091 -9.952 1.00 0.00 C ATOM 745 C ILE A 46 0.774 0.754 -10.236 1.00 0.00 C ATOM 746 O ILE A 46 -0.169 0.364 -9.577 1.00 0.00 O ATOM 747 CB ILE A 46 2.245 2.009 -8.620 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.380 2.454 -7.431 1.00 0.00 C ATOM 749 CG2 ILE A 46 3.494 2.891 -8.700 1.00 0.00 C ATOM 750 CD1 ILE A 46 2.063 2.051 -6.124 1.00 0.00 C ATOM 0 H ILE A 46 -0.174 3.121 -9.029 1.00 0.00 H new ATOM 0 HA ILE A 46 2.141 2.302 -10.779 1.00 0.00 H new ATOM 0 HB ILE A 46 2.531 0.969 -8.462 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.233 3.534 -7.459 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.393 1.996 -7.494 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.043 2.831 -7.760 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.131 2.547 -9.515 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.199 3.924 -8.882 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.449 2.367 -5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.187 0.968 -6.097 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.040 2.530 -6.061 1.00 0.00 H new ATOM 762 N LYS A 47 1.268 0.052 -11.214 1.00 0.00 N ATOM 763 CA LYS A 47 0.700 -1.276 -11.579 1.00 0.00 C ATOM 764 C LYS A 47 1.702 -2.336 -11.113 1.00 0.00 C ATOM 765 O LYS A 47 2.876 -2.218 -11.385 1.00 0.00 O ATOM 766 CB LYS A 47 0.618 -1.265 -13.114 1.00 0.00 C ATOM 767 CG LYS A 47 -0.408 -0.227 -13.605 1.00 0.00 C ATOM 768 CD LYS A 47 0.113 1.214 -13.457 1.00 0.00 C ATOM 769 CE LYS A 47 1.529 1.344 -14.032 1.00 0.00 C ATOM 770 NZ LYS A 47 1.910 2.778 -13.845 1.00 0.00 N ATOM 0 H LYS A 47 2.058 0.348 -11.788 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.274 -1.481 -11.134 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.599 -1.038 -13.532 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.339 -2.255 -13.474 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.647 -0.420 -14.651 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.334 -0.337 -13.041 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.558 1.902 -13.971 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.116 1.498 -12.405 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.224 0.683 -13.514 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.551 1.067 -15.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.615 3.046 -14.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.067 3.378 -13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.314 2.909 -12.896 1.00 0.00 H new ATOM 784 N VAL A 48 1.298 -3.335 -10.379 1.00 0.00 N ATOM 785 CA VAL A 48 2.297 -4.313 -9.898 1.00 0.00 C ATOM 786 C VAL A 48 1.907 -5.754 -10.255 1.00 0.00 C ATOM 787 O VAL A 48 0.806 -6.186 -10.007 1.00 0.00 O ATOM 788 CB VAL A 48 2.267 -4.097 -8.392 1.00 0.00 C ATOM 789 CG1 VAL A 48 3.165 -5.112 -7.720 1.00 0.00 C ATOM 790 CG2 VAL A 48 2.746 -2.678 -8.070 1.00 0.00 C ATOM 0 H VAL A 48 0.333 -3.511 -10.098 1.00 0.00 H new ATOM 0 HA VAL A 48 3.281 -4.173 -10.345 1.00 0.00 H new ATOM 0 HB VAL A 48 1.249 -4.222 -8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.144 -4.958 -6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.813 -6.118 -7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.185 -4.992 -8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.725 -2.523 -6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.764 -2.546 -8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.090 -1.954 -8.554 1.00 0.00 H new ATOM 800 N HIS A 49 2.816 -6.505 -10.818 1.00 0.00 N ATOM 801 CA HIS A 49 2.500 -7.922 -11.180 1.00 0.00 C ATOM 802 C HIS A 49 2.840 -8.864 -10.017 1.00 0.00 C ATOM 803 O HIS A 49 3.890 -8.765 -9.412 1.00 0.00 O ATOM 804 CB HIS A 49 3.385 -8.225 -12.389 1.00 0.00 C ATOM 805 CG HIS A 49 2.892 -9.468 -13.078 1.00 0.00 C ATOM 806 ND1 HIS A 49 2.763 -10.679 -12.416 1.00 0.00 N ATOM 807 CD2 HIS A 49 2.496 -9.704 -14.372 1.00 0.00 C ATOM 808 CE1 HIS A 49 2.305 -11.580 -13.305 1.00 0.00 C ATOM 809 NE2 HIS A 49 2.125 -11.038 -14.512 1.00 0.00 N ATOM 0 H HIS A 49 3.763 -6.201 -11.044 1.00 0.00 H new ATOM 0 HA HIS A 49 1.442 -8.063 -11.398 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.372 -7.384 -13.082 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.419 -8.359 -12.071 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.476 -8.967 -15.161 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.107 -12.616 -13.071 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.788 -11.502 -15.355 1.00 0.00 H new ATOM 817 N VAL A 50 1.961 -9.780 -9.703 1.00 0.00 N ATOM 818 CA VAL A 50 2.233 -10.732 -8.583 1.00 0.00 C ATOM 819 C VAL A 50 2.640 -12.092 -9.127 1.00 0.00 C ATOM 820 O VAL A 50 1.959 -12.692 -9.936 1.00 0.00 O ATOM 821 CB VAL A 50 0.920 -10.801 -7.790 1.00 0.00 C ATOM 822 CG1 VAL A 50 0.937 -11.990 -6.823 1.00 0.00 C ATOM 823 CG2 VAL A 50 0.759 -9.512 -6.991 1.00 0.00 C ATOM 0 H VAL A 50 1.066 -9.911 -10.174 1.00 0.00 H new ATOM 0 HA VAL A 50 3.058 -10.407 -7.949 1.00 0.00 H new ATOM 0 HB VAL A 50 0.091 -10.926 -8.486 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.002 -12.023 -6.270 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.059 -12.915 -7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.766 -11.879 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.171 -9.550 -6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.599 -9.402 -6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.734 -8.662 -7.673 1.00 0.00 H new ATOM 833 N LEU A 51 3.771 -12.567 -8.690 1.00 0.00 N ATOM 834 CA LEU A 51 4.270 -13.875 -9.169 1.00 0.00 C ATOM 835 C LEU A 51 3.544 -15.059 -8.519 1.00 0.00 C ATOM 836 O LEU A 51 3.946 -16.196 -8.668 1.00 0.00 O ATOM 837 CB LEU A 51 5.737 -13.870 -8.777 1.00 0.00 C ATOM 838 CG LEU A 51 6.612 -13.506 -9.984 1.00 0.00 C ATOM 839 CD1 LEU A 51 6.566 -14.642 -11.008 1.00 0.00 C ATOM 840 CD2 LEU A 51 6.101 -12.214 -10.637 1.00 0.00 C ATOM 0 H LEU A 51 4.374 -12.097 -8.015 1.00 0.00 H new ATOM 0 HA LEU A 51 4.105 -13.998 -10.239 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.902 -13.155 -7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.022 -14.851 -8.396 1.00 0.00 H new ATOM 0 HG LEU A 51 7.637 -13.354 -9.646 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.187 -14.384 -11.866 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.940 -15.559 -10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.538 -14.794 -11.337 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.729 -11.965 -11.492 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.073 -12.357 -10.971 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.137 -11.401 -9.912 1.00 0.00 H new ATOM 852 N GLN A 52 2.483 -14.815 -7.814 1.00 0.00 N ATOM 853 CA GLN A 52 1.738 -15.938 -7.172 1.00 0.00 C ATOM 854 C GLN A 52 0.732 -16.528 -8.166 1.00 0.00 C ATOM 855 O GLN A 52 0.364 -17.683 -8.082 1.00 0.00 O ATOM 856 CB GLN A 52 1.015 -15.315 -5.978 1.00 0.00 C ATOM 857 CG GLN A 52 1.177 -16.223 -4.757 1.00 0.00 C ATOM 858 CD GLN A 52 -0.187 -16.449 -4.102 1.00 0.00 C ATOM 859 OE1 GLN A 52 -0.931 -15.514 -3.883 1.00 0.00 O ATOM 860 NE2 GLN A 52 -0.549 -17.660 -3.778 1.00 0.00 N ATOM 0 H GLN A 52 2.094 -13.886 -7.651 1.00 0.00 H new ATOM 0 HA GLN A 52 2.397 -16.748 -6.861 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.423 -14.327 -5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.042 -15.181 -6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.611 -17.177 -5.056 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.864 -15.770 -4.043 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.075 -18.445 -3.962 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.456 -17.821 -3.341 1.00 0.00 H new ATOM 869 N ASN A 53 0.291 -15.742 -9.110 1.00 0.00 N ATOM 870 CA ASN A 53 -0.684 -16.249 -10.119 1.00 0.00 C ATOM 871 C ASN A 53 -1.920 -16.834 -9.430 1.00 0.00 C ATOM 872 O ASN A 53 -2.447 -17.850 -9.839 1.00 0.00 O ATOM 873 CB ASN A 53 0.069 -17.340 -10.884 1.00 0.00 C ATOM 874 CG ASN A 53 -0.327 -17.292 -12.361 1.00 0.00 C ATOM 875 OD1 ASN A 53 -0.951 -16.350 -12.804 1.00 0.00 O ATOM 876 ND2 ASN A 53 0.014 -18.276 -13.147 1.00 0.00 N ATOM 0 H ASN A 53 0.565 -14.766 -9.227 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.039 -15.456 -10.777 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.144 -17.196 -10.780 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.164 -18.319 -10.466 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.244 -18.253 -14.134 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.538 -19.068 -12.775 1.00 0.00 H new ATOM 883 N ASN A 54 -2.390 -16.204 -8.388 1.00 0.00 N ATOM 884 CA ASN A 54 -3.594 -16.731 -7.682 1.00 0.00 C ATOM 885 C ASN A 54 -4.729 -15.704 -7.737 1.00 0.00 C ATOM 886 O ASN A 54 -4.500 -14.517 -7.861 1.00 0.00 O ATOM 887 CB ASN A 54 -3.141 -16.955 -6.244 1.00 0.00 C ATOM 888 CG ASN A 54 -3.640 -18.318 -5.754 1.00 0.00 C ATOM 889 OD1 ASN A 54 -4.911 -18.487 -5.516 1.00 0.00 O flip ATOM 890 ND2 ASN A 54 -2.863 -19.237 -5.587 1.00 0.00 N flip ATOM 0 H ASN A 54 -1.994 -15.350 -7.995 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.973 -17.647 -8.136 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.054 -16.912 -6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.528 -16.163 -5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.869 -19.105 -5.773 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.205 -20.141 -5.261 1.00 0.00 H new ATOM 897 N PHE A 55 -5.953 -16.152 -7.655 1.00 0.00 N ATOM 898 CA PHE A 55 -7.102 -15.202 -7.717 1.00 0.00 C ATOM 899 C PHE A 55 -7.292 -14.469 -6.384 1.00 0.00 C ATOM 900 O PHE A 55 -6.816 -13.365 -6.204 1.00 0.00 O ATOM 901 CB PHE A 55 -8.316 -16.073 -8.036 1.00 0.00 C ATOM 902 CG PHE A 55 -8.601 -16.000 -9.516 1.00 0.00 C ATOM 903 CD1 PHE A 55 -7.882 -16.804 -10.409 1.00 0.00 C ATOM 904 CD2 PHE A 55 -9.583 -15.126 -9.997 1.00 0.00 C ATOM 905 CE1 PHE A 55 -8.145 -16.734 -11.782 1.00 0.00 C ATOM 906 CE2 PHE A 55 -9.847 -15.055 -11.369 1.00 0.00 C ATOM 907 CZ PHE A 55 -9.127 -15.860 -12.262 1.00 0.00 C ATOM 0 H PHE A 55 -6.207 -17.134 -7.548 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.944 -14.425 -8.465 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.127 -17.105 -7.740 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.182 -15.733 -7.469 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.124 -17.478 -10.038 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.137 -14.506 -9.308 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.590 -17.354 -12.471 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.605 -14.381 -11.740 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.330 -15.806 -13.321 1.00 0.00 H new ATOM 917 N ASP A 56 -7.997 -15.057 -5.454 1.00 0.00 N ATOM 918 CA ASP A 56 -8.223 -14.366 -4.150 1.00 0.00 C ATOM 919 C ASP A 56 -6.950 -14.325 -3.309 1.00 0.00 C ATOM 920 O ASP A 56 -6.889 -13.671 -2.285 1.00 0.00 O ATOM 921 CB ASP A 56 -9.313 -15.174 -3.449 1.00 0.00 C ATOM 922 CG ASP A 56 -9.609 -14.553 -2.083 1.00 0.00 C ATOM 923 OD1 ASP A 56 -8.855 -14.812 -1.160 1.00 0.00 O ATOM 924 OD2 ASP A 56 -10.586 -13.828 -1.982 1.00 0.00 O ATOM 0 H ASP A 56 -8.424 -15.980 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.516 -13.326 -4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.217 -15.189 -4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.993 -16.209 -3.328 1.00 0.00 H new ATOM 929 N ASP A 57 -5.931 -14.992 -3.740 1.00 0.00 N ATOM 930 CA ASP A 57 -4.653 -14.971 -2.972 1.00 0.00 C ATOM 931 C ASP A 57 -3.797 -13.801 -3.458 1.00 0.00 C ATOM 932 O ASP A 57 -3.211 -13.082 -2.673 1.00 0.00 O ATOM 933 CB ASP A 57 -3.970 -16.309 -3.259 1.00 0.00 C ATOM 934 CG ASP A 57 -3.718 -17.045 -1.941 1.00 0.00 C ATOM 935 OD1 ASP A 57 -4.666 -17.218 -1.191 1.00 0.00 O ATOM 936 OD2 ASP A 57 -2.584 -17.424 -1.704 1.00 0.00 O ATOM 0 H ASP A 57 -5.919 -15.554 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.810 -14.841 -1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.596 -16.916 -3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.028 -16.144 -3.782 1.00 0.00 H new ATOM 941 N LYS A 58 -3.741 -13.586 -4.748 1.00 0.00 N ATOM 942 CA LYS A 58 -2.944 -12.441 -5.268 1.00 0.00 C ATOM 943 C LYS A 58 -3.553 -11.140 -4.747 1.00 0.00 C ATOM 944 O LYS A 58 -2.856 -10.198 -4.426 1.00 0.00 O ATOM 945 CB LYS A 58 -3.061 -12.521 -6.790 1.00 0.00 C ATOM 946 CG LYS A 58 -2.227 -11.406 -7.423 1.00 0.00 C ATOM 947 CD LYS A 58 -3.094 -10.158 -7.602 1.00 0.00 C ATOM 948 CE LYS A 58 -3.429 -9.977 -9.083 1.00 0.00 C ATOM 949 NZ LYS A 58 -4.715 -10.703 -9.274 1.00 0.00 N ATOM 0 H LYS A 58 -4.210 -14.151 -5.457 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.901 -12.472 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.715 -13.493 -7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.104 -12.426 -7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.368 -11.177 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.837 -11.732 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.011 -10.253 -7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.568 -9.280 -7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.528 -8.922 -9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.645 -10.388 -9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.065 -10.541 -10.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.564 -11.721 -9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.416 -10.354 -8.589 1.00 0.00 H new ATOM 963 N LYS A 59 -4.854 -11.092 -4.642 1.00 0.00 N ATOM 964 CA LYS A 59 -5.514 -9.864 -4.118 1.00 0.00 C ATOM 965 C LYS A 59 -5.099 -9.662 -2.661 1.00 0.00 C ATOM 966 O LYS A 59 -4.714 -8.583 -2.259 1.00 0.00 O ATOM 967 CB LYS A 59 -7.015 -10.138 -4.228 1.00 0.00 C ATOM 968 CG LYS A 59 -7.792 -8.948 -3.663 1.00 0.00 C ATOM 969 CD LYS A 59 -8.847 -9.451 -2.678 1.00 0.00 C ATOM 970 CE LYS A 59 -8.376 -9.188 -1.247 1.00 0.00 C ATOM 971 NZ LYS A 59 -8.218 -10.538 -0.639 1.00 0.00 N ATOM 0 H LYS A 59 -5.487 -11.850 -4.897 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.238 -8.963 -4.666 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.290 -10.304 -5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.271 -11.046 -3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.111 -8.259 -3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.269 -8.394 -4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.797 -8.948 -2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.018 -10.517 -2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.435 -8.638 -1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.102 -8.590 -0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.816 -10.444 0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.146 -11.003 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.581 -11.111 -1.228 1.00 0.00 H new ATOM 985 N GLU A 60 -5.152 -10.703 -1.869 1.00 0.00 N ATOM 986 CA GLU A 60 -4.733 -10.570 -0.444 1.00 0.00 C ATOM 987 C GLU A 60 -3.305 -10.024 -0.396 1.00 0.00 C ATOM 988 O GLU A 60 -2.960 -9.212 0.441 1.00 0.00 O ATOM 989 CB GLU A 60 -4.788 -11.987 0.125 1.00 0.00 C ATOM 990 CG GLU A 60 -5.448 -11.961 1.504 1.00 0.00 C ATOM 991 CD GLU A 60 -4.981 -13.171 2.316 1.00 0.00 C ATOM 992 OE1 GLU A 60 -3.786 -13.294 2.524 1.00 0.00 O ATOM 993 OE2 GLU A 60 -5.828 -13.954 2.714 1.00 0.00 O ATOM 0 H GLU A 60 -5.465 -11.633 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.368 -9.891 0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.349 -12.637 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.782 -12.399 0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.191 -11.039 2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.533 -11.976 1.400 1.00 0.00 H new ATOM 1000 N LEU A 61 -2.471 -10.450 -1.309 1.00 0.00 N ATOM 1001 CA LEU A 61 -1.076 -9.934 -1.326 1.00 0.00 C ATOM 1002 C LEU A 61 -1.119 -8.407 -1.392 1.00 0.00 C ATOM 1003 O LEU A 61 -0.432 -7.728 -0.659 1.00 0.00 O ATOM 1004 CB LEU A 61 -0.434 -10.528 -2.583 1.00 0.00 C ATOM 1005 CG LEU A 61 0.549 -11.632 -2.177 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -0.198 -12.961 -2.054 1.00 0.00 C ATOM 1007 CD2 LEU A 61 1.646 -11.761 -3.239 1.00 0.00 C ATOM 0 H LEU A 61 -2.696 -11.128 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.507 -10.209 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.203 -10.934 -3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.086 -9.750 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 61 1.001 -11.378 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.501 -13.746 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.977 -12.872 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.651 -13.214 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.344 -12.546 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.195 -12.013 -4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.181 -10.815 -3.327 1.00 0.00 H new ATOM 1019 N ALA A 62 -1.948 -7.853 -2.241 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.035 -6.368 -2.299 1.00 0.00 C ATOM 1021 C ALA A 62 -2.375 -5.843 -0.911 1.00 0.00 C ATOM 1022 O ALA A 62 -1.867 -4.837 -0.480 1.00 0.00 O ATOM 1023 CB ALA A 62 -3.156 -6.036 -3.273 1.00 0.00 C ATOM 0 H ALA A 62 -2.557 -8.357 -2.885 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.097 -5.916 -2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.261 -4.954 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.921 -6.450 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.090 -6.466 -2.913 1.00 0.00 H new ATOM 1029 N GLU A 63 -3.218 -6.537 -0.189 1.00 0.00 N ATOM 1030 CA GLU A 63 -3.560 -6.082 1.190 1.00 0.00 C ATOM 1031 C GLU A 63 -2.272 -5.807 1.955 1.00 0.00 C ATOM 1032 O GLU A 63 -2.180 -4.919 2.781 1.00 0.00 O ATOM 1033 CB GLU A 63 -4.340 -7.241 1.812 1.00 0.00 C ATOM 1034 CG GLU A 63 -5.606 -6.710 2.481 1.00 0.00 C ATOM 1035 CD GLU A 63 -6.591 -6.237 1.410 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -6.318 -5.222 0.789 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -7.600 -6.898 1.228 1.00 0.00 O ATOM 0 H GLU A 63 -3.681 -7.393 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.148 -5.164 1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.601 -7.970 1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.720 -7.758 2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.062 -7.490 3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.358 -5.887 3.151 1.00 0.00 H new ATOM 1044 N THR A 64 -1.273 -6.554 1.630 1.00 0.00 N ATOM 1045 CA THR A 64 0.059 -6.367 2.266 1.00 0.00 C ATOM 1046 C THR A 64 0.811 -5.243 1.548 1.00 0.00 C ATOM 1047 O THR A 64 1.556 -4.497 2.151 1.00 0.00 O ATOM 1048 CB THR A 64 0.785 -7.701 2.086 1.00 0.00 C ATOM 1049 OG1 THR A 64 0.016 -8.741 2.675 1.00 0.00 O ATOM 1050 CG2 THR A 64 2.155 -7.631 2.762 1.00 0.00 C ATOM 0 H THR A 64 -1.315 -7.303 0.939 1.00 0.00 H new ATOM 0 HA THR A 64 -0.014 -6.093 3.318 1.00 0.00 H new ATOM 0 HB THR A 64 0.916 -7.904 1.023 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.479 -9.597 2.559 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.673 -8.582 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.744 -6.833 2.309 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.026 -7.428 3.825 1.00 0.00 H new ATOM 1058 N LEU A 65 0.610 -5.107 0.260 1.00 0.00 N ATOM 1059 CA LEU A 65 1.308 -4.020 -0.485 1.00 0.00 C ATOM 1060 C LEU A 65 0.575 -2.698 -0.268 1.00 0.00 C ATOM 1061 O LEU A 65 1.160 -1.714 0.128 1.00 0.00 O ATOM 1062 CB LEU A 65 1.244 -4.424 -1.954 1.00 0.00 C ATOM 1063 CG LEU A 65 2.186 -5.599 -2.198 1.00 0.00 C ATOM 1064 CD1 LEU A 65 1.616 -6.478 -3.307 1.00 0.00 C ATOM 1065 CD2 LEU A 65 3.554 -5.066 -2.624 1.00 0.00 C ATOM 0 H LEU A 65 -0.003 -5.698 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 65 2.337 -3.887 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.224 -4.699 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.524 -3.582 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 65 2.290 -6.185 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.286 -7.319 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.636 -6.851 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.518 -5.893 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.231 -5.902 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.449 -4.485 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.958 -4.431 -1.836 1.00 0.00 H new ATOM 1077 N SER A 66 -0.711 -2.671 -0.507 1.00 0.00 N ATOM 1078 CA SER A 66 -1.480 -1.412 -0.292 1.00 0.00 C ATOM 1079 C SER A 66 -1.207 -0.868 1.115 1.00 0.00 C ATOM 1080 O SER A 66 -1.082 0.324 1.317 1.00 0.00 O ATOM 1081 CB SER A 66 -2.948 -1.816 -0.431 1.00 0.00 C ATOM 1082 OG SER A 66 -3.391 -2.398 0.788 1.00 0.00 O ATOM 0 H SER A 66 -1.259 -3.464 -0.841 1.00 0.00 H new ATOM 0 HA SER A 66 -1.204 -0.630 -1.000 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.556 -0.944 -0.674 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.066 -2.525 -1.250 1.00 0.00 H new ATOM 0 HG SER A 66 -3.064 -3.320 0.848 1.00 0.00 H new ATOM 1088 N GLU A 67 -1.112 -1.735 2.090 1.00 0.00 N ATOM 1089 CA GLU A 67 -0.847 -1.266 3.481 1.00 0.00 C ATOM 1090 C GLU A 67 0.619 -0.845 3.638 1.00 0.00 C ATOM 1091 O GLU A 67 0.940 0.036 4.411 1.00 0.00 O ATOM 1092 CB GLU A 67 -1.155 -2.472 4.368 1.00 0.00 C ATOM 1093 CG GLU A 67 -2.663 -2.728 4.375 1.00 0.00 C ATOM 1094 CD GLU A 67 -3.316 -1.908 5.491 1.00 0.00 C ATOM 1095 OE1 GLU A 67 -2.675 -1.720 6.512 1.00 0.00 O ATOM 1096 OE2 GLU A 67 -4.444 -1.483 5.306 1.00 0.00 O ATOM 0 H GLU A 67 -1.206 -2.745 1.983 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.451 -0.398 3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.628 -3.352 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.801 -2.290 5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.093 -2.457 3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.862 -3.789 4.525 1.00 0.00 H new ATOM 1103 N ALA A 68 1.511 -1.466 2.914 1.00 0.00 N ATOM 1104 CA ALA A 68 2.953 -1.097 3.029 1.00 0.00 C ATOM 1105 C ALA A 68 3.318 -0.019 2.000 1.00 0.00 C ATOM 1106 O ALA A 68 4.363 0.595 2.077 1.00 0.00 O ATOM 1107 CB ALA A 68 3.717 -2.391 2.745 1.00 0.00 C ATOM 0 H ALA A 68 1.305 -2.211 2.249 1.00 0.00 H new ATOM 0 HA ALA A 68 3.193 -0.686 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.789 -2.203 2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.436 -3.148 3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.472 -2.746 1.744 1.00 0.00 H new ATOM 1113 N THR A 69 2.468 0.214 1.035 1.00 0.00 N ATOM 1114 CA THR A 69 2.770 1.249 0.005 1.00 0.00 C ATOM 1115 C THR A 69 2.129 2.590 0.380 1.00 0.00 C ATOM 1116 O THR A 69 2.273 3.570 -0.323 1.00 0.00 O ATOM 1117 CB THR A 69 2.151 0.710 -1.287 1.00 0.00 C ATOM 1118 OG1 THR A 69 0.793 0.365 -1.051 1.00 0.00 O ATOM 1119 CG2 THR A 69 2.922 -0.528 -1.749 1.00 0.00 C ATOM 0 H THR A 69 1.577 -0.268 0.916 1.00 0.00 H new ATOM 0 HA THR A 69 3.841 1.428 -0.090 1.00 0.00 H new ATOM 0 HB THR A 69 2.203 1.475 -2.061 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.214 1.101 -1.339 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.479 -0.910 -2.669 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.963 -0.261 -1.931 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.873 -1.296 -0.977 1.00 0.00 H new ATOM 1127 N ARG A 70 1.418 2.648 1.477 1.00 0.00 N ATOM 1128 CA ARG A 70 0.771 3.933 1.873 1.00 0.00 C ATOM 1129 C ARG A 70 -0.091 4.452 0.721 1.00 0.00 C ATOM 1130 O ARG A 70 -0.141 5.635 0.450 1.00 0.00 O ATOM 1131 CB ARG A 70 1.929 4.892 2.153 1.00 0.00 C ATOM 1132 CG ARG A 70 1.447 6.030 3.052 1.00 0.00 C ATOM 1133 CD ARG A 70 2.553 6.398 4.045 1.00 0.00 C ATOM 1134 NE ARG A 70 1.876 7.213 5.090 1.00 0.00 N ATOM 1135 CZ ARG A 70 2.244 8.449 5.293 1.00 0.00 C ATOM 1136 NH1 ARG A 70 2.360 9.270 4.285 1.00 0.00 N ATOM 1137 NH2 ARG A 70 2.497 8.864 6.504 1.00 0.00 N ATOM 0 H ARG A 70 1.259 1.866 2.112 1.00 0.00 H new ATOM 0 HA ARG A 70 0.120 3.824 2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.749 4.358 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.316 5.294 1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.182 6.898 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.547 5.728 3.588 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.011 5.507 4.474 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.349 6.962 3.558 1.00 0.00 H new ATOM 0 HE ARG A 70 1.125 6.806 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.163 8.946 3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.648 10.236 4.444 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.407 8.223 7.292 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.785 9.830 6.663 1.00 0.00 H new ATOM 1151 N SER A 71 -0.763 3.569 0.036 1.00 0.00 N ATOM 1152 CA SER A 71 -1.615 4.003 -1.108 1.00 0.00 C ATOM 1153 C SER A 71 -2.983 3.322 -1.044 1.00 0.00 C ATOM 1154 O SER A 71 -3.332 2.704 -0.057 1.00 0.00 O ATOM 1155 CB SER A 71 -0.854 3.562 -2.354 1.00 0.00 C ATOM 1156 OG SER A 71 -0.117 2.379 -2.068 1.00 0.00 O ATOM 0 H SER A 71 -0.760 2.565 0.218 1.00 0.00 H new ATOM 0 HA SER A 71 -1.799 5.077 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.550 3.380 -3.173 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.179 4.354 -2.680 1.00 0.00 H new ATOM 0 HG SER A 71 0.358 2.087 -2.874 1.00 0.00 H new ATOM 1162 N GLU A 72 -3.769 3.437 -2.082 1.00 0.00 N ATOM 1163 CA GLU A 72 -5.120 2.804 -2.061 1.00 0.00 C ATOM 1164 C GLU A 72 -5.364 1.977 -3.331 1.00 0.00 C ATOM 1165 O GLU A 72 -5.415 2.499 -4.426 1.00 0.00 O ATOM 1166 CB GLU A 72 -6.104 3.977 -1.974 1.00 0.00 C ATOM 1167 CG GLU A 72 -5.720 4.871 -0.792 1.00 0.00 C ATOM 1168 CD GLU A 72 -5.102 6.169 -1.316 1.00 0.00 C ATOM 1169 OE1 GLU A 72 -5.703 6.780 -2.184 1.00 0.00 O ATOM 1170 OE2 GLU A 72 -4.036 6.527 -0.842 1.00 0.00 O ATOM 0 H GLU A 72 -3.536 3.939 -2.939 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.232 2.112 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.086 4.551 -2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.121 3.605 -1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.600 5.092 -0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.012 4.353 -0.145 1.00 0.00 H new ATOM 1177 N LEU A 73 -5.504 0.684 -3.184 1.00 0.00 N ATOM 1178 CA LEU A 73 -5.733 -0.197 -4.359 1.00 0.00 C ATOM 1179 C LEU A 73 -7.026 0.136 -5.098 1.00 0.00 C ATOM 1180 O LEU A 73 -8.095 -0.238 -4.654 1.00 0.00 O ATOM 1181 CB LEU A 73 -5.916 -1.590 -3.743 1.00 0.00 C ATOM 1182 CG LEU A 73 -4.926 -2.584 -4.323 1.00 0.00 C ATOM 1183 CD1 LEU A 73 -5.414 -3.993 -3.994 1.00 0.00 C ATOM 1184 CD2 LEU A 73 -4.850 -2.461 -5.846 1.00 0.00 C ATOM 0 H LEU A 73 -5.468 0.200 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.914 -0.099 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.786 -1.532 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.933 -1.939 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.942 -2.384 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.716 -4.724 -4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.475 -4.114 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.400 -4.148 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.133 -3.185 -6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.832 -2.656 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.530 -1.454 -6.114 1.00 0.00 H new ATOM 1196 N VAL A 74 -6.958 0.746 -6.254 1.00 0.00 N ATOM 1197 CA VAL A 74 -8.227 0.959 -6.993 1.00 0.00 C ATOM 1198 C VAL A 74 -8.689 -0.437 -7.413 1.00 0.00 C ATOM 1199 O VAL A 74 -9.844 -0.792 -7.297 1.00 0.00 O ATOM 1200 CB VAL A 74 -7.912 1.836 -8.209 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -7.232 3.120 -7.768 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -6.978 1.105 -9.142 1.00 0.00 C ATOM 0 H VAL A 74 -6.109 1.093 -6.701 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.003 1.454 -6.409 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.849 2.066 -8.716 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.013 3.734 -8.641 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.891 3.668 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.303 2.881 -7.251 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.759 1.735 -10.004 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.051 0.870 -8.619 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.449 0.181 -9.478 1.00 0.00 H new ATOM 1212 N GLN A 75 -7.758 -1.264 -7.852 1.00 0.00 N ATOM 1213 CA GLN A 75 -8.126 -2.661 -8.221 1.00 0.00 C ATOM 1214 C GLN A 75 -6.966 -3.470 -8.742 1.00 0.00 C ATOM 1215 O GLN A 75 -5.833 -3.088 -8.669 1.00 0.00 O ATOM 1216 CB GLN A 75 -9.244 -2.564 -9.263 1.00 0.00 C ATOM 1217 CG GLN A 75 -10.482 -3.307 -8.757 1.00 0.00 C ATOM 1218 CD GLN A 75 -11.211 -3.950 -9.939 1.00 0.00 C ATOM 1219 OE1 GLN A 75 -10.912 -3.664 -11.082 1.00 0.00 O ATOM 1220 NE2 GLN A 75 -12.163 -4.815 -9.711 1.00 0.00 N ATOM 0 H GLN A 75 -6.773 -1.027 -7.967 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.454 -3.193 -7.328 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.487 -1.519 -9.454 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.912 -2.992 -10.209 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.191 -4.071 -8.036 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.147 -2.616 -8.238 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.415 -5.056 -8.752 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.655 -5.250 -10.492 1.00 0.00 H new ATOM 1229 N VAL A 76 -7.269 -4.643 -9.183 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.219 -5.567 -9.651 1.00 0.00 C ATOM 1231 C VAL A 76 -6.501 -5.984 -11.104 1.00 0.00 C ATOM 1232 O VAL A 76 -7.606 -6.355 -11.449 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.330 -6.713 -8.624 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -6.456 -8.086 -9.299 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.087 -6.711 -7.737 1.00 0.00 C ATOM 0 H VAL A 76 -8.219 -5.009 -9.241 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.208 -5.162 -9.691 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.232 -6.544 -8.036 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.531 -8.861 -8.536 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.349 -8.104 -9.924 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.577 -8.270 -9.917 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.159 -7.519 -7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.200 -6.856 -8.353 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.014 -5.757 -7.215 1.00 0.00 H new ATOM 1245 N ILE A 77 -5.515 -5.923 -11.952 1.00 0.00 N ATOM 1246 CA ILE A 77 -5.727 -6.309 -13.366 1.00 0.00 C ATOM 1247 C ILE A 77 -5.193 -7.732 -13.605 1.00 0.00 C ATOM 1248 O ILE A 77 -4.012 -7.940 -13.796 1.00 0.00 O ATOM 1249 CB ILE A 77 -4.932 -5.256 -14.148 1.00 0.00 C ATOM 1250 CG1 ILE A 77 -5.773 -3.985 -14.261 1.00 0.00 C ATOM 1251 CG2 ILE A 77 -4.602 -5.768 -15.546 1.00 0.00 C ATOM 1252 CD1 ILE A 77 -4.952 -2.887 -14.938 1.00 0.00 C ATOM 0 H ILE A 77 -4.568 -5.621 -11.722 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.774 -6.332 -13.667 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.000 -5.048 -13.622 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.677 -4.185 -14.836 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.091 -3.658 -13.271 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.038 -5.009 -16.088 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.006 -6.677 -15.469 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.526 -5.984 -16.082 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.552 -1.981 -15.018 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.061 -2.681 -14.345 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.656 -3.216 -15.934 1.00 0.00 H new ATOM 1264 N GLY A 78 -6.063 -8.707 -13.607 1.00 0.00 N ATOM 1265 CA GLY A 78 -5.620 -10.113 -13.845 1.00 0.00 C ATOM 1266 C GLY A 78 -4.424 -10.457 -12.952 1.00 0.00 C ATOM 1267 O GLY A 78 -4.577 -10.773 -11.790 1.00 0.00 O ATOM 0 H GLY A 78 -7.065 -8.590 -13.454 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.442 -10.799 -13.642 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.348 -10.243 -14.893 1.00 0.00 H new ATOM 1271 N SER A 79 -3.235 -10.408 -13.490 1.00 0.00 N ATOM 1272 CA SER A 79 -2.030 -10.742 -12.673 1.00 0.00 C ATOM 1273 C SER A 79 -1.332 -9.468 -12.192 1.00 0.00 C ATOM 1274 O SER A 79 -0.214 -9.506 -11.718 1.00 0.00 O ATOM 1275 CB SER A 79 -1.121 -11.525 -13.620 1.00 0.00 C ATOM 1276 OG SER A 79 -1.215 -12.912 -13.319 1.00 0.00 O ATOM 0 H SER A 79 -3.045 -10.152 -14.459 1.00 0.00 H new ATOM 0 HA SER A 79 -2.286 -11.312 -11.780 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.412 -11.345 -14.655 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.090 -11.187 -13.516 1.00 0.00 H new ATOM 0 HG SER A 79 -0.635 -13.418 -13.925 1.00 0.00 H new ATOM 1282 N MET A 80 -1.976 -8.340 -12.305 1.00 0.00 N ATOM 1283 CA MET A 80 -1.335 -7.077 -11.847 1.00 0.00 C ATOM 1284 C MET A 80 -2.202 -6.393 -10.786 1.00 0.00 C ATOM 1285 O MET A 80 -3.406 -6.543 -10.766 1.00 0.00 O ATOM 1286 CB MET A 80 -1.231 -6.210 -13.101 1.00 0.00 C ATOM 1287 CG MET A 80 -0.104 -6.735 -13.994 1.00 0.00 C ATOM 1288 SD MET A 80 -0.797 -7.349 -15.551 1.00 0.00 S ATOM 1289 CE MET A 80 -0.673 -5.801 -16.479 1.00 0.00 C ATOM 0 H MET A 80 -2.914 -8.238 -12.693 1.00 0.00 H new ATOM 0 HA MET A 80 -0.361 -7.251 -11.390 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.176 -6.223 -13.644 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.037 -5.174 -12.824 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.616 -5.941 -14.193 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.435 -7.534 -13.484 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.053 -5.951 -17.490 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.261 -5.030 -15.981 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.370 -5.488 -16.526 1.00 0.00 H new ATOM 1299 N ILE A 81 -1.605 -5.632 -9.913 1.00 0.00 N ATOM 1300 CA ILE A 81 -2.394 -4.927 -8.873 1.00 0.00 C ATOM 1301 C ILE A 81 -2.350 -3.428 -9.157 1.00 0.00 C ATOM 1302 O ILE A 81 -1.316 -2.877 -9.476 1.00 0.00 O ATOM 1303 CB ILE A 81 -1.702 -5.254 -7.551 1.00 0.00 C ATOM 1304 CG1 ILE A 81 -1.833 -6.752 -7.270 1.00 0.00 C ATOM 1305 CG2 ILE A 81 -2.360 -4.463 -6.420 1.00 0.00 C ATOM 1306 CD1 ILE A 81 -0.815 -7.167 -6.208 1.00 0.00 C ATOM 0 H ILE A 81 -0.599 -5.469 -9.877 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.441 -5.229 -8.851 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.648 -4.984 -7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.843 -6.981 -6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.669 -7.320 -8.186 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.866 -4.697 -5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -2.270 -3.396 -6.622 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.414 -4.732 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.911 -8.235 -6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.192 -6.953 -6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.999 -6.610 -5.290 1.00 0.00 H new ATOM 1318 N VAL A 82 -3.465 -2.770 -9.074 1.00 0.00 N ATOM 1319 CA VAL A 82 -3.494 -1.314 -9.376 1.00 0.00 C ATOM 1320 C VAL A 82 -3.629 -0.478 -8.113 1.00 0.00 C ATOM 1321 O VAL A 82 -4.668 -0.448 -7.490 1.00 0.00 O ATOM 1322 CB VAL A 82 -4.734 -1.114 -10.238 1.00 0.00 C ATOM 1323 CG1 VAL A 82 -4.720 0.336 -10.717 1.00 0.00 C ATOM 1324 CG2 VAL A 82 -4.663 -2.044 -11.452 1.00 0.00 C ATOM 0 H VAL A 82 -4.362 -3.176 -8.809 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.571 -1.003 -9.865 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.641 -1.334 -9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.595 0.522 -11.340 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.740 1.004 -9.856 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.816 0.519 -11.297 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.549 -1.903 -12.071 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.772 -1.813 -12.036 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.617 -3.080 -11.115 1.00 0.00 H new ATOM 1334 N ILE A 83 -2.604 0.233 -7.741 1.00 0.00 N ATOM 1335 CA ILE A 83 -2.713 1.071 -6.518 1.00 0.00 C ATOM 1336 C ILE A 83 -2.412 2.530 -6.842 1.00 0.00 C ATOM 1337 O ILE A 83 -1.560 2.841 -7.650 1.00 0.00 O ATOM 1338 CB ILE A 83 -1.668 0.507 -5.549 1.00 0.00 C ATOM 1339 CG1 ILE A 83 -1.879 -1.005 -5.386 1.00 0.00 C ATOM 1340 CG2 ILE A 83 -1.808 1.187 -4.188 1.00 0.00 C ATOM 1341 CD1 ILE A 83 -0.634 -1.651 -4.779 1.00 0.00 C ATOM 0 H ILE A 83 -1.706 0.271 -8.224 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.717 1.044 -6.093 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.671 0.695 -5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.742 -1.192 -4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.095 -1.456 -6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.064 0.784 -3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.655 2.260 -4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.806 1.003 -3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.797 -2.723 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.221 -1.479 -5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.436 -1.212 -3.801 1.00 0.00 H new ATOM 1353 N TYR A 84 -3.103 3.427 -6.205 1.00 0.00 N ATOM 1354 CA TYR A 84 -2.855 4.868 -6.459 1.00 0.00 C ATOM 1355 C TYR A 84 -2.351 5.522 -5.164 1.00 0.00 C ATOM 1356 O TYR A 84 -3.088 5.656 -4.207 1.00 0.00 O ATOM 1357 CB TYR A 84 -4.227 5.426 -6.885 1.00 0.00 C ATOM 1358 CG TYR A 84 -4.357 6.892 -6.514 1.00 0.00 C ATOM 1359 CD1 TYR A 84 -3.645 7.865 -7.225 1.00 0.00 C ATOM 1360 CD2 TYR A 84 -5.187 7.270 -5.453 1.00 0.00 C ATOM 1361 CE1 TYR A 84 -3.764 9.214 -6.876 1.00 0.00 C ATOM 1362 CE2 TYR A 84 -5.306 8.619 -5.103 1.00 0.00 C ATOM 1363 CZ TYR A 84 -4.596 9.592 -5.815 1.00 0.00 C ATOM 1364 OH TYR A 84 -4.714 10.922 -5.469 1.00 0.00 O ATOM 0 H TYR A 84 -3.830 3.225 -5.519 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.101 5.057 -7.223 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.354 5.307 -7.961 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.021 4.854 -6.405 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.003 7.574 -8.044 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.736 6.520 -4.904 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.214 9.964 -7.425 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.946 8.910 -4.283 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.579 11.022 -4.504 1.00 0.00 H new ATOM 1374 N ARG A 85 -1.114 5.932 -5.122 1.00 0.00 N ATOM 1375 CA ARG A 85 -0.608 6.576 -3.875 1.00 0.00 C ATOM 1376 C ARG A 85 -0.869 8.088 -3.915 1.00 0.00 C ATOM 1377 O ARG A 85 -0.277 8.791 -4.705 1.00 0.00 O ATOM 1378 CB ARG A 85 0.895 6.296 -3.875 1.00 0.00 C ATOM 1379 CG ARG A 85 1.560 7.038 -2.712 1.00 0.00 C ATOM 1380 CD ARG A 85 2.450 6.071 -1.930 1.00 0.00 C ATOM 1381 NE ARG A 85 2.597 6.687 -0.581 1.00 0.00 N ATOM 1382 CZ ARG A 85 3.762 7.120 -0.183 1.00 0.00 C ATOM 1383 NH1 ARG A 85 4.155 8.322 -0.501 1.00 0.00 N ATOM 1384 NH2 ARG A 85 4.533 6.349 0.534 1.00 0.00 N ATOM 0 H ARG A 85 -0.440 5.852 -5.883 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.099 6.192 -2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.075 5.225 -3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.334 6.615 -4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.154 7.870 -3.090 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.800 7.461 -2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.996 5.082 -1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.418 5.946 -2.415 1.00 0.00 H new ATOM 0 HE ARG A 85 1.786 6.770 0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.552 8.924 -1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.066 8.660 -0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.225 5.409 0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.444 6.686 0.846 1.00 0.00 H new ATOM 1398 N GLU A 86 -1.728 8.563 -3.031 1.00 0.00 N ATOM 1399 CA GLU A 86 -2.085 10.030 -2.920 1.00 0.00 C ATOM 1400 C GLU A 86 -1.733 10.852 -4.180 1.00 0.00 C ATOM 1401 O GLU A 86 -1.846 10.384 -5.295 1.00 0.00 O ATOM 1402 CB GLU A 86 -1.293 10.516 -1.704 1.00 0.00 C ATOM 1403 CG GLU A 86 0.201 10.489 -2.016 1.00 0.00 C ATOM 1404 CD GLU A 86 0.948 9.801 -0.871 1.00 0.00 C ATOM 1405 OE1 GLU A 86 0.425 8.832 -0.347 1.00 0.00 O ATOM 1406 OE2 GLU A 86 2.029 10.257 -0.536 1.00 0.00 O ATOM 0 H GLU A 86 -2.215 7.973 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.162 10.161 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.600 11.528 -1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.506 9.882 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.379 9.958 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.574 11.504 -2.150 1.00 0.00 H new ATOM 1413 N SER A 87 -1.334 12.089 -4.008 1.00 0.00 N ATOM 1414 CA SER A 87 -0.984 12.938 -5.187 1.00 0.00 C ATOM 1415 C SER A 87 0.372 13.612 -4.967 1.00 0.00 C ATOM 1416 O SER A 87 0.722 13.977 -3.863 1.00 0.00 O ATOM 1417 CB SER A 87 -2.082 13.993 -5.298 1.00 0.00 C ATOM 1418 OG SER A 87 -3.285 13.493 -4.729 1.00 0.00 O ATOM 0 H SER A 87 -1.236 12.546 -3.102 1.00 0.00 H new ATOM 0 HA SER A 87 -0.913 12.342 -6.097 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.777 14.905 -4.785 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.244 14.255 -6.344 1.00 0.00 H new ATOM 0 HG SER A 87 -3.521 12.644 -5.157 1.00 0.00 H new ATOM 1424 N LYS A 88 1.128 13.797 -6.009 1.00 0.00 N ATOM 1425 CA LYS A 88 2.446 14.466 -5.864 1.00 0.00 C ATOM 1426 C LYS A 88 2.816 15.064 -7.210 1.00 0.00 C ATOM 1427 O LYS A 88 2.882 16.266 -7.377 1.00 0.00 O ATOM 1428 CB LYS A 88 3.420 13.361 -5.466 1.00 0.00 C ATOM 1429 CG LYS A 88 4.593 13.968 -4.695 1.00 0.00 C ATOM 1430 CD LYS A 88 5.792 14.114 -5.631 1.00 0.00 C ATOM 1431 CE LYS A 88 6.825 15.048 -4.997 1.00 0.00 C ATOM 1432 NZ LYS A 88 7.881 15.210 -6.034 1.00 0.00 N ATOM 0 H LYS A 88 0.889 13.512 -6.959 1.00 0.00 H new ATOM 0 HA LYS A 88 2.452 15.266 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.912 12.618 -4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.783 12.845 -6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.313 14.940 -4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.854 13.333 -3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.238 13.138 -5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.469 14.511 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.381 16.007 -4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.233 14.622 -4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.627 15.839 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.290 14.281 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.464 15.624 -6.892 1.00 0.00 H new ATOM 1446 N GLU A 89 3.003 14.230 -8.189 1.00 0.00 N ATOM 1447 CA GLU A 89 3.304 14.744 -9.544 1.00 0.00 C ATOM 1448 C GLU A 89 1.984 14.820 -10.305 1.00 0.00 C ATOM 1449 O GLU A 89 1.264 13.848 -10.395 1.00 0.00 O ATOM 1450 CB GLU A 89 4.244 13.714 -10.176 1.00 0.00 C ATOM 1451 CG GLU A 89 5.419 14.435 -10.839 1.00 0.00 C ATOM 1452 CD GLU A 89 5.043 14.808 -12.275 1.00 0.00 C ATOM 1453 OE1 GLU A 89 4.462 15.865 -12.459 1.00 0.00 O ATOM 1454 OE2 GLU A 89 5.346 14.032 -13.166 1.00 0.00 O ATOM 0 H GLU A 89 2.960 13.214 -8.107 1.00 0.00 H new ATOM 0 HA GLU A 89 3.767 15.731 -9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.609 13.024 -9.415 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.706 13.119 -10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.675 15.331 -10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.301 13.794 -10.837 1.00 0.00 H new ATOM 1461 N ASN A 90 1.646 15.968 -10.812 1.00 0.00 N ATOM 1462 CA ASN A 90 0.350 16.122 -11.539 1.00 0.00 C ATOM 1463 C ASN A 90 0.281 15.196 -12.755 1.00 0.00 C ATOM 1464 O ASN A 90 0.419 15.611 -13.888 1.00 0.00 O ATOM 1465 CB ASN A 90 0.302 17.587 -11.971 1.00 0.00 C ATOM 1466 CG ASN A 90 1.458 17.877 -12.928 1.00 0.00 C ATOM 1467 OD1 ASN A 90 2.452 17.179 -12.928 1.00 0.00 O ATOM 1468 ND2 ASN A 90 1.368 18.884 -13.751 1.00 0.00 N ATOM 0 H ASN A 90 2.212 16.815 -10.756 1.00 0.00 H new ATOM 0 HA ASN A 90 -0.496 15.854 -10.907 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.649 17.802 -12.458 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.367 18.236 -11.098 1.00 0.00 H new ATOM 0 HD21 ASN A 90 2.133 19.086 -14.395 1.00 0.00 H new ATOM 0 HD22 ASN A 90 0.533 19.470 -13.751 1.00 0.00 H new ATOM 1475 N LYS A 91 0.029 13.948 -12.511 1.00 0.00 N ATOM 1476 CA LYS A 91 -0.103 12.960 -13.613 1.00 0.00 C ATOM 1477 C LYS A 91 -1.581 12.867 -13.962 1.00 0.00 C ATOM 1478 O LYS A 91 -2.409 13.249 -13.165 1.00 0.00 O ATOM 1479 CB LYS A 91 0.410 11.638 -13.044 1.00 0.00 C ATOM 1480 CG LYS A 91 0.994 10.790 -14.174 1.00 0.00 C ATOM 1481 CD LYS A 91 0.423 9.374 -14.101 1.00 0.00 C ATOM 1482 CE LYS A 91 0.095 8.883 -15.513 1.00 0.00 C ATOM 1483 NZ LYS A 91 0.401 7.426 -15.491 1.00 0.00 N ATOM 0 H LYS A 91 -0.094 13.560 -11.576 1.00 0.00 H new ATOM 0 HA LYS A 91 0.453 13.226 -14.512 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.170 11.827 -12.286 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.402 11.101 -12.554 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.757 11.239 -15.139 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.081 10.759 -14.095 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.142 8.704 -13.629 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.475 9.364 -13.483 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.951 9.064 -15.761 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.694 9.402 -16.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.202 7.015 -16.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.405 7.286 -15.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.189 6.958 -14.774 1.00 0.00 H new ATOM 1497 N GLU A 92 -1.933 12.407 -15.134 1.00 0.00 N ATOM 1498 CA GLU A 92 -3.383 12.335 -15.474 1.00 0.00 C ATOM 1499 C GLU A 92 -4.066 11.322 -14.551 1.00 0.00 C ATOM 1500 O GLU A 92 -4.441 10.237 -14.949 1.00 0.00 O ATOM 1501 CB GLU A 92 -3.432 11.861 -16.927 1.00 0.00 C ATOM 1502 CG GLU A 92 -4.778 12.245 -17.544 1.00 0.00 C ATOM 1503 CD GLU A 92 -5.063 11.348 -18.749 1.00 0.00 C ATOM 1504 OE1 GLU A 92 -5.065 10.140 -18.575 1.00 0.00 O ATOM 1505 OE2 GLU A 92 -5.272 11.883 -19.825 1.00 0.00 O ATOM 0 H GLU A 92 -1.292 12.084 -15.858 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.894 13.290 -15.351 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.618 12.311 -17.495 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.294 10.781 -16.973 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.572 12.141 -16.804 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.764 13.291 -17.851 1.00 0.00 H new ATOM 1512 N ILE A 93 -4.215 11.689 -13.309 1.00 0.00 N ATOM 1513 CA ILE A 93 -4.854 10.804 -12.305 1.00 0.00 C ATOM 1514 C ILE A 93 -6.208 11.388 -11.899 1.00 0.00 C ATOM 1515 O ILE A 93 -6.331 12.573 -11.660 1.00 0.00 O ATOM 1516 CB ILE A 93 -3.870 10.815 -11.127 1.00 0.00 C ATOM 1517 CG1 ILE A 93 -2.597 10.048 -11.518 1.00 0.00 C ATOM 1518 CG2 ILE A 93 -4.513 10.163 -9.895 1.00 0.00 C ATOM 1519 CD1 ILE A 93 -2.897 8.551 -11.660 1.00 0.00 C ATOM 0 H ILE A 93 -3.911 12.591 -12.942 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.045 9.795 -12.669 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.613 11.846 -10.884 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.204 10.437 -12.457 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.826 10.201 -10.763 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.806 10.176 -9.066 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.410 10.717 -9.617 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.781 9.132 -10.127 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.985 8.022 -11.937 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.268 8.163 -10.711 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.652 8.403 -12.432 1.00 0.00 H new ATOM 1531 N GLU A 94 -7.223 10.577 -11.809 1.00 0.00 N ATOM 1532 CA GLU A 94 -8.554 11.114 -11.407 1.00 0.00 C ATOM 1533 C GLU A 94 -8.867 10.741 -9.976 1.00 0.00 C ATOM 1534 O GLU A 94 -8.446 9.715 -9.480 1.00 0.00 O ATOM 1535 CB GLU A 94 -9.575 10.437 -12.305 1.00 0.00 C ATOM 1536 CG GLU A 94 -10.730 11.404 -12.570 1.00 0.00 C ATOM 1537 CD GLU A 94 -10.996 11.488 -14.075 1.00 0.00 C ATOM 1538 OE1 GLU A 94 -11.643 10.593 -14.593 1.00 0.00 O ATOM 1539 OE2 GLU A 94 -10.550 12.447 -14.683 1.00 0.00 O ATOM 0 H GLU A 94 -7.192 9.574 -11.994 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.568 12.200 -11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.110 10.140 -13.245 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.947 9.528 -11.832 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.627 11.066 -12.051 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.488 12.392 -12.178 1.00 0.00 H new ATOM 1546 N LEU A 95 -9.647 11.541 -9.322 1.00 0.00 N ATOM 1547 CA LEU A 95 -10.037 11.200 -7.941 1.00 0.00 C ATOM 1548 C LEU A 95 -11.033 12.233 -7.401 1.00 0.00 C ATOM 1549 O LEU A 95 -10.729 12.964 -6.480 1.00 0.00 O ATOM 1550 CB LEU A 95 -8.749 11.196 -7.115 1.00 0.00 C ATOM 1551 CG LEU A 95 -8.779 9.996 -6.171 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -8.069 8.817 -6.831 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -8.076 10.349 -4.860 1.00 0.00 C ATOM 0 H LEU A 95 -10.030 12.414 -9.684 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.529 10.228 -7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.880 11.140 -7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.661 12.122 -6.547 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.814 9.728 -5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.089 7.958 -6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.576 8.562 -7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.035 9.088 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.101 9.489 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.040 10.620 -5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.585 11.190 -4.389 1.00 0.00 H new ATOM 1565 N PRO A 96 -12.197 12.257 -8.000 1.00 0.00 N ATOM 1566 CA PRO A 96 -13.250 13.209 -7.577 1.00 0.00 C ATOM 1567 C PRO A 96 -13.883 12.756 -6.258 1.00 0.00 C ATOM 1568 O PRO A 96 -15.066 12.992 -6.080 1.00 0.00 O ATOM 1569 CB PRO A 96 -14.264 13.156 -8.713 1.00 0.00 C ATOM 1570 CG PRO A 96 -14.070 11.818 -9.347 1.00 0.00 C ATOM 1571 CD PRO A 96 -12.636 11.411 -9.116 1.00 0.00 C ATOM 0 HA PRO A 96 -12.870 14.215 -7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -15.281 13.271 -8.339 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -14.095 13.960 -9.430 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -14.751 11.086 -8.913 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -14.289 11.864 -10.414 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.557 10.352 -8.868 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -12.027 11.576 -10.005 1.00 0.00 H new TER 1579 PRO A 96