USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 931 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 37 SER OG : rot 108:sc= 0.416 USER MOD Set 1.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 19 HIS : no HD1:sc= -0.633 X(o=-1.2,f=-1.1) USER MOD Set 2.2: A 25 THR OG1 : rot -89:sc= -0.543 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 167:sc= -0.0259 (180deg=-0.245) USER MOD Single : A 11 GLN : amide:sc= -0.0496 X(o=-0.05,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -169:sc= -1.61 (180deg=-2.1) USER MOD Single : A 15 MET CE :methyl -142:sc= -0.358 (180deg=-2.93!) USER MOD Single : A 16 LYS NZ :NH3+ -110:sc= -0.318 (180deg=-1.69) USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= 1.83 (180deg=0.408) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0551 X(o=-0.055,f=-0.055) USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= -0.0196 (180deg=-0.107) USER MOD Single : A 34 ASN : amide:sc= -2.95! C(o=-2.9!,f=-6.9!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0448) USER MOD Single : A 48 LYS NZ :NH3+ -121:sc= -0.905 (180deg=-2.79!) USER MOD Single : A 56 ASN : amide:sc= -6.74! C(o=-6.7!,f=-7.2!) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= -0.0226 (180deg=-0.257) USER MOD Single : A 69 LYS NZ :NH3+ -149:sc= -0.237 (180deg=-1.04) USER MOD Single : A 70 CYS SG : rot -109:sc= -0.868 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -130:sc= -0.105 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 99 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.0019) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -3.83! C(o=-4.4!,f=-3.8!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.921 18.745 8.328 1.00 0.00 N ATOM 2 CA GLY A 1 -9.015 17.841 8.022 1.00 0.00 C ATOM 3 C GLY A 1 -9.284 17.739 6.534 1.00 0.00 C ATOM 4 O GLY A 1 -9.701 18.710 5.903 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.777 18.780 9.357 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.052 18.406 7.868 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.149 19.697 7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.785 16.851 8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.917 18.183 8.529 1.00 0.00 H new ATOM 8 N SER A 2 -9.043 16.559 5.971 1.00 0.00 N ATOM 9 CA SER A 2 -9.256 16.335 4.546 1.00 0.00 C ATOM 10 C SER A 2 -10.476 15.449 4.312 1.00 0.00 C ATOM 11 O SER A 2 -10.453 14.549 3.473 1.00 0.00 O ATOM 12 CB SER A 2 -8.018 15.692 3.918 1.00 0.00 C ATOM 13 OG SER A 2 -7.662 14.500 4.598 1.00 0.00 O ATOM 0 H SER A 2 -8.700 15.744 6.480 1.00 0.00 H new ATOM 0 HA SER A 2 -9.434 17.302 4.074 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.212 15.472 2.868 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.185 16.394 3.948 1.00 0.00 H new ATOM 0 HG SER A 2 -6.869 14.107 4.177 1.00 0.00 H new ATOM 19 N SER A 3 -11.543 15.712 5.061 1.00 0.00 N ATOM 20 CA SER A 3 -12.772 14.938 4.939 1.00 0.00 C ATOM 21 C SER A 3 -13.606 15.424 3.757 1.00 0.00 C ATOM 22 O SER A 3 -14.379 16.373 3.877 1.00 0.00 O ATOM 23 CB SER A 3 -13.590 15.034 6.229 1.00 0.00 C ATOM 24 OG SER A 3 -12.813 14.665 7.355 1.00 0.00 O ATOM 0 H SER A 3 -11.580 16.455 5.758 1.00 0.00 H new ATOM 0 HA SER A 3 -12.501 13.897 4.765 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.958 16.052 6.355 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.464 14.386 6.158 1.00 0.00 H new ATOM 0 HG SER A 3 -13.358 14.737 8.166 1.00 0.00 H new ATOM 30 N GLY A 4 -13.441 14.765 2.615 1.00 0.00 N ATOM 31 CA GLY A 4 -14.184 15.143 1.426 1.00 0.00 C ATOM 32 C GLY A 4 -15.119 14.048 0.955 1.00 0.00 C ATOM 33 O GLY A 4 -14.845 12.863 1.144 1.00 0.00 O ATOM 0 H GLY A 4 -12.806 13.976 2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.760 16.045 1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.485 15.388 0.627 1.00 0.00 H new ATOM 37 N SER A 5 -16.229 14.444 0.340 1.00 0.00 N ATOM 38 CA SER A 5 -17.212 13.487 -0.156 1.00 0.00 C ATOM 39 C SER A 5 -16.551 12.445 -1.053 1.00 0.00 C ATOM 40 O SER A 5 -16.800 11.247 -0.920 1.00 0.00 O ATOM 41 CB SER A 5 -18.318 14.212 -0.925 1.00 0.00 C ATOM 42 OG SER A 5 -18.982 15.152 -0.099 1.00 0.00 O ATOM 0 H SER A 5 -16.470 15.421 0.173 1.00 0.00 H new ATOM 0 HA SER A 5 -17.651 12.977 0.701 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.891 14.721 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.037 13.486 -1.305 1.00 0.00 H new ATOM 0 HG SER A 5 -19.683 15.603 -0.615 1.00 0.00 H new ATOM 48 N SER A 6 -15.707 12.911 -1.968 1.00 0.00 N ATOM 49 CA SER A 6 -15.012 12.021 -2.891 1.00 0.00 C ATOM 50 C SER A 6 -14.675 10.695 -2.217 1.00 0.00 C ATOM 51 O SER A 6 -14.418 10.645 -1.015 1.00 0.00 O ATOM 52 CB SER A 6 -13.734 12.684 -3.407 1.00 0.00 C ATOM 53 OG SER A 6 -13.001 13.273 -2.346 1.00 0.00 O ATOM 0 H SER A 6 -15.488 13.900 -2.090 1.00 0.00 H new ATOM 0 HA SER A 6 -15.675 11.822 -3.733 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.115 11.943 -3.913 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.988 13.445 -4.145 1.00 0.00 H new ATOM 0 HG SER A 6 -12.188 13.689 -2.701 1.00 0.00 H new ATOM 59 N GLY A 7 -14.678 9.622 -3.001 1.00 0.00 N ATOM 60 CA GLY A 7 -14.371 8.309 -2.464 1.00 0.00 C ATOM 61 C GLY A 7 -13.055 8.283 -1.713 1.00 0.00 C ATOM 62 O GLY A 7 -13.020 8.000 -0.515 1.00 0.00 O ATOM 0 H GLY A 7 -14.888 9.638 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.173 7.997 -1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.335 7.586 -3.279 1.00 0.00 H new ATOM 66 N VAL A 8 -11.967 8.578 -2.418 1.00 0.00 N ATOM 67 CA VAL A 8 -10.642 8.587 -1.811 1.00 0.00 C ATOM 68 C VAL A 8 -10.705 9.047 -0.359 1.00 0.00 C ATOM 69 O VAL A 8 -11.285 10.089 -0.051 1.00 0.00 O ATOM 70 CB VAL A 8 -9.675 9.502 -2.586 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.373 10.789 -2.997 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.439 9.800 -1.751 1.00 0.00 C ATOM 0 H VAL A 8 -11.978 8.814 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.271 7.563 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.358 8.983 -3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.675 11.423 -3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.225 10.553 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.721 11.314 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.767 10.448 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.735 10.299 -0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.928 8.867 -1.512 1.00 0.00 H new ATOM 82 N LEU A 9 -10.106 8.264 0.531 1.00 0.00 N ATOM 83 CA LEU A 9 -10.093 8.590 1.953 1.00 0.00 C ATOM 84 C LEU A 9 -8.879 9.444 2.305 1.00 0.00 C ATOM 85 O LEU A 9 -9.007 10.498 2.927 1.00 0.00 O ATOM 86 CB LEU A 9 -10.091 7.310 2.790 1.00 0.00 C ATOM 87 CG LEU A 9 -10.999 6.184 2.296 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.601 4.860 2.931 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.457 6.503 2.596 1.00 0.00 C ATOM 0 H LEU A 9 -9.622 7.398 0.293 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.993 9.162 2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.070 6.932 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.384 7.565 3.809 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.881 6.097 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.258 4.070 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.570 4.625 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.689 4.935 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.089 5.690 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.590 6.618 3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.738 7.429 2.094 1.00 0.00 H new ATOM 101 N LYS A 10 -7.700 8.982 1.901 1.00 0.00 N ATOM 102 CA LYS A 10 -6.462 9.703 2.169 1.00 0.00 C ATOM 103 C LYS A 10 -5.727 10.024 0.872 1.00 0.00 C ATOM 104 O LYS A 10 -5.879 9.322 -0.127 1.00 0.00 O ATOM 105 CB LYS A 10 -5.558 8.881 3.091 1.00 0.00 C ATOM 106 CG LYS A 10 -4.657 9.727 3.973 1.00 0.00 C ATOM 107 CD LYS A 10 -3.735 8.865 4.819 1.00 0.00 C ATOM 108 CE LYS A 10 -2.835 9.713 5.704 1.00 0.00 C ATOM 109 NZ LYS A 10 -3.620 10.542 6.660 1.00 0.00 N ATOM 0 H LYS A 10 -7.576 8.110 1.386 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.717 10.641 2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.179 8.247 3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.940 8.219 2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.062 10.396 3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.267 10.354 4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.330 8.195 5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.123 8.239 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.156 9.065 6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.220 10.362 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.984 10.933 7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.081 11.321 6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.344 9.952 7.117 1.00 0.00 H new ATOM 123 N GLN A 11 -4.929 11.087 0.897 1.00 0.00 N ATOM 124 CA GLN A 11 -4.170 11.499 -0.278 1.00 0.00 C ATOM 125 C GLN A 11 -2.984 12.371 0.119 1.00 0.00 C ATOM 126 O GLN A 11 -3.123 13.306 0.907 1.00 0.00 O ATOM 127 CB GLN A 11 -5.072 12.257 -1.254 1.00 0.00 C ATOM 128 CG GLN A 11 -5.667 13.529 -0.670 1.00 0.00 C ATOM 129 CD GLN A 11 -6.791 14.090 -1.518 1.00 0.00 C ATOM 130 OE1 GLN A 11 -7.876 14.384 -1.015 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.537 14.241 -2.813 1.00 0.00 N ATOM 0 H GLN A 11 -4.792 11.678 1.717 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.790 10.602 -0.767 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.497 12.510 -2.145 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.881 11.600 -1.573 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.041 13.323 0.333 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.883 14.280 -0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.623 13.984 -3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.256 14.614 -3.434 1.00 0.00 H new ATOM 140 N GLY A 12 -1.815 12.059 -0.432 1.00 0.00 N ATOM 141 CA GLY A 12 -0.621 12.823 -0.123 1.00 0.00 C ATOM 142 C GLY A 12 0.579 12.379 -0.936 1.00 0.00 C ATOM 143 O GLY A 12 0.526 11.362 -1.629 1.00 0.00 O ATOM 0 H GLY A 12 -1.674 11.290 -1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.811 13.880 -0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.394 12.723 0.938 1.00 0.00 H new ATOM 147 N TYR A 13 1.663 13.143 -0.855 1.00 0.00 N ATOM 148 CA TYR A 13 2.879 12.825 -1.592 1.00 0.00 C ATOM 149 C TYR A 13 3.750 11.846 -0.811 1.00 0.00 C ATOM 150 O TYR A 13 4.382 12.214 0.179 1.00 0.00 O ATOM 151 CB TYR A 13 3.668 14.101 -1.891 1.00 0.00 C ATOM 152 CG TYR A 13 3.301 14.746 -3.208 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.265 14.003 -4.381 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.990 16.098 -3.279 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.931 14.589 -5.587 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.653 16.692 -4.480 1.00 0.00 C ATOM 157 CZ TYR A 13 2.626 15.933 -5.631 1.00 0.00 C ATOM 158 OH TYR A 13 2.291 16.520 -6.830 1.00 0.00 O ATOM 0 H TYR A 13 1.724 13.987 -0.286 1.00 0.00 H new ATOM 0 HA TYR A 13 2.591 12.355 -2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.502 14.818 -1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.733 13.867 -1.895 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.502 12.950 -4.350 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.012 16.695 -2.380 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.909 13.997 -6.490 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.412 17.744 -4.517 1.00 0.00 H new ATOM 0 HH TYR A 13 2.104 17.471 -6.687 1.00 0.00 H new ATOM 168 N MET A 14 3.778 10.597 -1.264 1.00 0.00 N ATOM 169 CA MET A 14 4.573 9.564 -0.609 1.00 0.00 C ATOM 170 C MET A 14 5.696 9.082 -1.522 1.00 0.00 C ATOM 171 O MET A 14 5.573 9.120 -2.746 1.00 0.00 O ATOM 172 CB MET A 14 3.685 8.386 -0.207 1.00 0.00 C ATOM 173 CG MET A 14 2.763 8.691 0.963 1.00 0.00 C ATOM 174 SD MET A 14 2.132 7.200 1.756 1.00 0.00 S ATOM 175 CE MET A 14 1.161 6.494 0.427 1.00 0.00 C ATOM 0 H MET A 14 3.260 10.276 -2.082 1.00 0.00 H new ATOM 0 HA MET A 14 5.018 9.996 0.287 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.083 8.086 -1.065 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.317 7.537 0.051 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.301 9.289 1.698 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.925 9.294 0.613 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.552 5.677 0.815 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.512 7.261 0.004 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.827 6.114 -0.348 1.00 0.00 H new ATOM 185 N MET A 15 6.790 8.629 -0.918 1.00 0.00 N ATOM 186 CA MET A 15 7.934 8.138 -1.678 1.00 0.00 C ATOM 187 C MET A 15 7.920 6.615 -1.757 1.00 0.00 C ATOM 188 O MET A 15 8.102 5.928 -0.751 1.00 0.00 O ATOM 189 CB MET A 15 9.240 8.616 -1.040 1.00 0.00 C ATOM 190 CG MET A 15 9.352 10.128 -0.945 1.00 0.00 C ATOM 191 SD MET A 15 11.035 10.680 -0.607 1.00 0.00 S ATOM 192 CE MET A 15 11.740 10.647 -2.253 1.00 0.00 C ATOM 0 H MET A 15 6.908 8.592 0.094 1.00 0.00 H new ATOM 0 HA MET A 15 7.865 8.537 -2.690 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.323 8.190 -0.040 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.080 8.233 -1.620 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.008 10.573 -1.879 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.690 10.489 -0.157 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.770 10.295 -2.201 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.159 9.975 -2.884 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.720 11.651 -2.677 1.00 0.00 H new ATOM 202 N LYS A 16 7.704 6.091 -2.959 1.00 0.00 N ATOM 203 CA LYS A 16 7.668 4.649 -3.171 1.00 0.00 C ATOM 204 C LYS A 16 9.016 4.138 -3.668 1.00 0.00 C ATOM 205 O LYS A 16 9.694 4.804 -4.451 1.00 0.00 O ATOM 206 CB LYS A 16 6.572 4.288 -4.176 1.00 0.00 C ATOM 207 CG LYS A 16 6.881 3.045 -4.992 1.00 0.00 C ATOM 208 CD LYS A 16 5.670 2.585 -5.788 1.00 0.00 C ATOM 209 CE LYS A 16 4.633 1.924 -4.893 1.00 0.00 C ATOM 210 NZ LYS A 16 5.114 0.620 -4.357 1.00 0.00 N ATOM 0 H LYS A 16 7.551 6.644 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 16 7.448 4.172 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.635 4.137 -3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.420 5.129 -4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.708 3.251 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.207 2.244 -4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.222 3.439 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.986 1.884 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.390 2.590 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.713 1.768 -5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.580 -0.155 -4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.126 0.509 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.972 0.594 -3.327 1.00 0.00 H new ATOM 224 N LYS A 17 9.400 2.951 -3.210 1.00 0.00 N ATOM 225 CA LYS A 17 10.666 2.349 -3.609 1.00 0.00 C ATOM 226 C LYS A 17 10.546 1.690 -4.980 1.00 0.00 C ATOM 227 O LYS A 17 9.904 0.651 -5.126 1.00 0.00 O ATOM 228 CB LYS A 17 11.112 1.316 -2.572 1.00 0.00 C ATOM 229 CG LYS A 17 12.621 1.170 -2.469 1.00 0.00 C ATOM 230 CD LYS A 17 13.030 0.513 -1.162 1.00 0.00 C ATOM 231 CE LYS A 17 14.537 0.556 -0.964 1.00 0.00 C ATOM 232 NZ LYS A 17 15.050 1.953 -0.908 1.00 0.00 N ATOM 0 H LYS A 17 8.851 2.387 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 17 11.413 3.140 -3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.715 1.598 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.678 0.349 -2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.988 0.576 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.088 2.152 -2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.538 1.018 -0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.690 -0.523 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.797 0.037 -0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.026 0.022 -1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.895 1.989 -0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.297 2.271 -1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.316 2.577 -0.515 1.00 0.00 H new ATOM 246 N GLY A 18 11.171 2.301 -5.982 1.00 0.00 N ATOM 247 CA GLY A 18 11.123 1.758 -7.327 1.00 0.00 C ATOM 248 C GLY A 18 12.461 1.844 -8.035 1.00 0.00 C ATOM 249 O GLY A 18 12.993 0.834 -8.497 1.00 0.00 O ATOM 0 H GLY A 18 11.709 3.162 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.804 0.716 -7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.373 2.297 -7.907 1.00 0.00 H new ATOM 253 N HIS A 19 13.007 3.053 -8.121 1.00 0.00 N ATOM 254 CA HIS A 19 14.291 3.266 -8.779 1.00 0.00 C ATOM 255 C HIS A 19 15.325 2.254 -8.295 1.00 0.00 C ATOM 256 O HIS A 19 15.960 2.448 -7.259 1.00 0.00 O ATOM 257 CB HIS A 19 14.791 4.687 -8.519 1.00 0.00 C ATOM 258 CG HIS A 19 14.196 5.710 -9.437 1.00 0.00 C ATOM 259 ND1 HIS A 19 13.888 6.992 -9.037 1.00 0.00 N ATOM 260 CD2 HIS A 19 13.855 5.633 -10.745 1.00 0.00 C ATOM 261 CE1 HIS A 19 13.380 7.660 -10.058 1.00 0.00 C ATOM 262 NE2 HIS A 19 13.350 6.858 -11.106 1.00 0.00 N ATOM 0 H HIS A 19 12.581 3.899 -7.744 1.00 0.00 H new ATOM 0 HA HIS A 19 14.149 3.129 -9.851 1.00 0.00 H new ATOM 0 HB2 HIS A 19 14.564 4.960 -7.488 1.00 0.00 H new ATOM 0 HB3 HIS A 19 15.876 4.706 -8.622 1.00 0.00 H new ATOM 0 HD2 HIS A 19 13.960 4.769 -11.385 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.046 8.687 -10.038 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.007 7.108 -12.034 1.00 0.00 H new ATOM 271 N ARG A 20 15.486 1.173 -9.051 1.00 0.00 N ATOM 272 CA ARG A 20 16.441 0.129 -8.698 1.00 0.00 C ATOM 273 C ARG A 20 16.421 -0.140 -7.196 1.00 0.00 C ATOM 274 O ARG A 20 17.470 -0.292 -6.569 1.00 0.00 O ATOM 275 CB ARG A 20 17.851 0.528 -9.137 1.00 0.00 C ATOM 276 CG ARG A 20 18.859 -0.607 -9.052 1.00 0.00 C ATOM 277 CD ARG A 20 18.919 -1.397 -10.350 1.00 0.00 C ATOM 278 NE ARG A 20 17.741 -2.241 -10.533 1.00 0.00 N ATOM 279 CZ ARG A 20 17.401 -2.787 -11.695 1.00 0.00 C ATOM 280 NH1 ARG A 20 18.146 -2.579 -12.772 1.00 0.00 N ATOM 281 NH2 ARG A 20 16.314 -3.543 -11.781 1.00 0.00 N ATOM 0 H ARG A 20 14.968 0.997 -9.912 1.00 0.00 H new ATOM 0 HA ARG A 20 16.151 -0.784 -9.217 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.813 0.893 -10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 20 18.195 1.356 -8.517 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.845 -0.203 -8.825 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.591 -1.273 -8.232 1.00 0.00 H new ATOM 0 HD2 ARG A 20 19.005 -0.708 -11.190 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.814 -2.019 -10.355 1.00 0.00 H new ATOM 0 HE ARG A 20 17.147 -2.421 -9.724 1.00 0.00 H new ATOM 0 HH11 ARG A 20 18.982 -1.999 -12.709 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.883 -2.999 -13.663 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.739 -3.705 -10.954 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.054 -3.962 -12.674 1.00 0.00 H new ATOM 295 N ARG A 21 15.222 -0.196 -6.626 1.00 0.00 N ATOM 296 CA ARG A 21 15.066 -0.445 -5.197 1.00 0.00 C ATOM 297 C ARG A 21 16.208 0.189 -4.408 1.00 0.00 C ATOM 298 O ARG A 21 16.733 -0.408 -3.467 1.00 0.00 O ATOM 299 CB ARG A 21 15.015 -1.949 -4.922 1.00 0.00 C ATOM 300 CG ARG A 21 14.298 -2.307 -3.631 1.00 0.00 C ATOM 301 CD ARG A 21 12.793 -2.388 -3.833 1.00 0.00 C ATOM 302 NE ARG A 21 12.363 -3.732 -4.210 1.00 0.00 N ATOM 303 CZ ARG A 21 11.240 -3.985 -4.873 1.00 0.00 C ATOM 304 NH1 ARG A 21 10.439 -2.991 -5.231 1.00 0.00 N ATOM 305 NH2 ARG A 21 10.917 -5.234 -5.180 1.00 0.00 N ATOM 0 H ARG A 21 14.344 -0.072 -7.131 1.00 0.00 H new ATOM 0 HA ARG A 21 14.128 0.008 -4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.516 -2.445 -5.754 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.033 -2.337 -4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.668 -3.263 -3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.524 -1.561 -2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.287 -2.090 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.492 -1.681 -4.606 1.00 0.00 H new ATOM 0 HE ARG A 21 12.957 -4.519 -3.950 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.684 -2.029 -4.997 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.577 -3.188 -5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.531 -6.001 -4.907 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.055 -5.427 -5.689 1.00 0.00 H new ATOM 319 N LYS A 22 16.589 1.401 -4.797 1.00 0.00 N ATOM 320 CA LYS A 22 17.667 2.117 -4.126 1.00 0.00 C ATOM 321 C LYS A 22 17.265 3.559 -3.836 1.00 0.00 C ATOM 322 O LYS A 22 17.259 3.992 -2.684 1.00 0.00 O ATOM 323 CB LYS A 22 18.934 2.092 -4.984 1.00 0.00 C ATOM 324 CG LYS A 22 20.051 2.970 -4.445 1.00 0.00 C ATOM 325 CD LYS A 22 20.965 3.455 -5.558 1.00 0.00 C ATOM 326 CE LYS A 22 22.004 2.405 -5.922 1.00 0.00 C ATOM 327 NZ LYS A 22 23.157 2.415 -4.979 1.00 0.00 N ATOM 0 H LYS A 22 16.166 1.908 -5.574 1.00 0.00 H new ATOM 0 HA LYS A 22 17.867 1.617 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.293 1.065 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 22 18.685 2.415 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.623 3.827 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 22 20.633 2.411 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 22 20.370 3.701 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.466 4.371 -5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 22 21.540 1.419 -5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 22 22.362 2.585 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.843 1.686 -5.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 23.616 3.348 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 22.819 2.218 -4.015 1.00 0.00 H new ATOM 341 N ASN A 23 16.927 4.298 -4.888 1.00 0.00 N ATOM 342 CA ASN A 23 16.522 5.692 -4.745 1.00 0.00 C ATOM 343 C ASN A 23 15.020 5.799 -4.502 1.00 0.00 C ATOM 344 O ASN A 23 14.265 4.873 -4.798 1.00 0.00 O ATOM 345 CB ASN A 23 16.906 6.486 -5.995 1.00 0.00 C ATOM 346 CG ASN A 23 17.021 7.974 -5.722 1.00 0.00 C ATOM 347 OD1 ASN A 23 16.114 8.745 -6.035 1.00 0.00 O ATOM 348 ND2 ASN A 23 18.140 8.382 -5.135 1.00 0.00 N ATOM 0 H ASN A 23 16.926 3.955 -5.849 1.00 0.00 H new ATOM 0 HA ASN A 23 17.042 6.110 -3.883 1.00 0.00 H new ATOM 0 HB2 ASN A 23 17.856 6.115 -6.380 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.160 6.318 -6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 23 18.275 9.371 -4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.865 7.706 -4.894 1.00 0.00 H new ATOM 355 N TRP A 24 14.594 6.935 -3.961 1.00 0.00 N ATOM 356 CA TRP A 24 13.182 7.164 -3.678 1.00 0.00 C ATOM 357 C TRP A 24 12.643 8.328 -4.503 1.00 0.00 C ATOM 358 O TRP A 24 13.357 9.295 -4.773 1.00 0.00 O ATOM 359 CB TRP A 24 12.978 7.442 -2.188 1.00 0.00 C ATOM 360 CG TRP A 24 13.299 6.267 -1.315 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.522 5.933 -0.807 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.383 5.269 -0.850 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.422 4.788 -0.054 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.120 4.362 -0.064 1.00 0.00 C ATOM 365 CE3 TRP A 24 11.013 5.056 -1.019 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.531 3.259 0.549 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.429 3.961 -0.410 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.187 3.074 0.367 1.00 0.00 C ATOM 0 H TRP A 24 15.206 7.711 -3.710 1.00 0.00 H new ATOM 0 HA TRP A 24 12.632 6.264 -3.951 1.00 0.00 H new ATOM 0 HB2 TRP A 24 13.603 8.285 -1.894 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.943 7.739 -2.020 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.434 6.487 -0.973 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.192 4.330 0.433 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.421 5.735 -1.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.114 2.574 1.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.371 3.786 -0.535 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.701 2.228 0.831 1.00 0.00 H new ATOM 379 N THR A 25 11.379 8.230 -4.903 1.00 0.00 N ATOM 380 CA THR A 25 10.745 9.274 -5.698 1.00 0.00 C ATOM 381 C THR A 25 9.366 9.622 -5.150 1.00 0.00 C ATOM 382 O THR A 25 8.605 8.740 -4.755 1.00 0.00 O ATOM 383 CB THR A 25 10.607 8.851 -7.173 1.00 0.00 C ATOM 384 OG1 THR A 25 11.861 8.363 -7.662 1.00 0.00 O ATOM 385 CG2 THR A 25 10.142 10.018 -8.030 1.00 0.00 C ATOM 0 H THR A 25 10.774 7.437 -4.689 1.00 0.00 H new ATOM 0 HA THR A 25 11.389 10.152 -5.638 1.00 0.00 H new ATOM 0 HB THR A 25 9.861 8.058 -7.232 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.382 9.108 -8.027 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.052 9.695 -9.067 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.173 10.368 -7.674 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.867 10.829 -7.964 1.00 0.00 H new ATOM 393 N GLU A 26 9.052 10.913 -5.129 1.00 0.00 N ATOM 394 CA GLU A 26 7.763 11.377 -4.628 1.00 0.00 C ATOM 395 C GLU A 26 6.651 11.078 -5.630 1.00 0.00 C ATOM 396 O GLU A 26 6.777 11.370 -6.819 1.00 0.00 O ATOM 397 CB GLU A 26 7.813 12.879 -4.339 1.00 0.00 C ATOM 398 CG GLU A 26 6.749 13.346 -3.360 1.00 0.00 C ATOM 399 CD GLU A 26 6.878 14.817 -3.017 1.00 0.00 C ATOM 400 OE1 GLU A 26 7.754 15.159 -2.194 1.00 0.00 O ATOM 401 OE2 GLU A 26 6.104 15.626 -3.569 1.00 0.00 O ATOM 0 H GLU A 26 9.671 11.656 -5.453 1.00 0.00 H new ATOM 0 HA GLU A 26 7.549 10.843 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.796 13.132 -3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.698 13.425 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.763 13.161 -3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.818 12.756 -2.446 1.00 0.00 H new ATOM 408 N ARG A 27 5.563 10.493 -5.139 1.00 0.00 N ATOM 409 CA ARG A 27 4.429 10.153 -5.990 1.00 0.00 C ATOM 410 C ARG A 27 3.114 10.306 -5.231 1.00 0.00 C ATOM 411 O ARG A 27 3.044 10.040 -4.032 1.00 0.00 O ATOM 412 CB ARG A 27 4.566 8.721 -6.510 1.00 0.00 C ATOM 413 CG ARG A 27 5.772 8.512 -7.410 1.00 0.00 C ATOM 414 CD ARG A 27 5.439 8.805 -8.865 1.00 0.00 C ATOM 415 NE ARG A 27 6.597 9.300 -9.603 1.00 0.00 N ATOM 416 CZ ARG A 27 7.517 8.508 -10.144 1.00 0.00 C ATOM 417 NH1 ARG A 27 7.414 7.191 -10.029 1.00 0.00 N ATOM 418 NH2 ARG A 27 8.543 9.034 -10.801 1.00 0.00 N ATOM 0 H ARG A 27 5.443 10.245 -4.157 1.00 0.00 H new ATOM 0 HA ARG A 27 4.423 10.841 -6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.635 8.040 -5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.663 8.455 -7.060 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.587 9.159 -7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.124 7.485 -7.316 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.066 7.898 -9.341 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.637 9.542 -8.912 1.00 0.00 H new ATOM 0 HE ARG A 27 6.706 10.309 -9.709 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.627 6.783 -9.524 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.122 6.586 -10.445 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.626 10.047 -10.891 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.249 8.426 -11.216 1.00 0.00 H new ATOM 432 N TRP A 28 2.076 10.738 -5.938 1.00 0.00 N ATOM 433 CA TRP A 28 0.764 10.928 -5.331 1.00 0.00 C ATOM 434 C TRP A 28 0.083 9.588 -5.077 1.00 0.00 C ATOM 435 O TRP A 28 0.145 8.681 -5.907 1.00 0.00 O ATOM 436 CB TRP A 28 -0.116 11.798 -6.230 1.00 0.00 C ATOM 437 CG TRP A 28 -1.280 12.409 -5.511 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.605 12.173 -5.746 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.224 13.358 -4.440 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.375 12.918 -4.886 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.552 13.653 -4.075 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.181 13.985 -3.753 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -2.861 14.548 -3.054 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.490 14.874 -2.741 1.00 0.00 C ATOM 445 CH2 TRP A 28 -1.821 15.148 -2.399 1.00 0.00 C ATOM 0 H TRP A 28 2.118 10.963 -6.932 1.00 0.00 H new ATOM 0 HA TRP A 28 0.904 11.431 -4.374 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.492 12.592 -6.662 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.486 11.194 -7.058 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.990 11.500 -6.497 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.395 12.923 -4.856 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.848 13.779 -4.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.886 14.761 -2.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.308 15.366 -2.205 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.030 15.847 -1.602 1.00 0.00 H new ATOM 456 N PHE A 29 -0.567 9.469 -3.924 1.00 0.00 N ATOM 457 CA PHE A 29 -1.260 8.238 -3.560 1.00 0.00 C ATOM 458 C PHE A 29 -2.706 8.523 -3.165 1.00 0.00 C ATOM 459 O PHE A 29 -2.987 9.481 -2.444 1.00 0.00 O ATOM 460 CB PHE A 29 -0.533 7.540 -2.409 1.00 0.00 C ATOM 461 CG PHE A 29 0.579 6.637 -2.861 1.00 0.00 C ATOM 462 CD1 PHE A 29 1.834 7.151 -3.146 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.369 5.275 -3.001 1.00 0.00 C ATOM 464 CE1 PHE A 29 2.859 6.322 -3.562 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.391 4.442 -3.417 1.00 0.00 C ATOM 466 CZ PHE A 29 2.637 4.966 -3.699 1.00 0.00 C ATOM 0 H PHE A 29 -0.628 10.210 -3.226 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.263 7.582 -4.430 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.126 8.295 -1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.253 6.957 -1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.013 8.211 -3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.604 4.859 -2.783 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.833 6.735 -3.780 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.215 3.382 -3.521 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.436 4.317 -4.026 1.00 0.00 H new ATOM 476 N VAL A 30 -3.620 7.685 -3.643 1.00 0.00 N ATOM 477 CA VAL A 30 -5.037 7.846 -3.341 1.00 0.00 C ATOM 478 C VAL A 30 -5.590 6.616 -2.630 1.00 0.00 C ATOM 479 O VAL A 30 -5.994 5.644 -3.271 1.00 0.00 O ATOM 480 CB VAL A 30 -5.859 8.100 -4.618 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.347 7.964 -4.333 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.541 9.473 -5.191 1.00 0.00 C ATOM 0 H VAL A 30 -3.404 6.887 -4.241 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.124 8.712 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.586 7.349 -5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.911 8.147 -5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.558 6.957 -3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.640 8.690 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.131 9.636 -6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.784 10.240 -4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.480 9.528 -5.436 1.00 0.00 H new ATOM 492 N LEU A 31 -5.607 6.663 -1.303 1.00 0.00 N ATOM 493 CA LEU A 31 -6.111 5.552 -0.503 1.00 0.00 C ATOM 494 C LEU A 31 -7.628 5.438 -0.626 1.00 0.00 C ATOM 495 O LEU A 31 -8.372 6.125 0.074 1.00 0.00 O ATOM 496 CB LEU A 31 -5.719 5.734 0.964 1.00 0.00 C ATOM 497 CG LEU A 31 -6.385 4.784 1.960 1.00 0.00 C ATOM 498 CD1 LEU A 31 -5.951 3.350 1.701 1.00 0.00 C ATOM 499 CD2 LEU A 31 -6.057 5.193 3.388 1.00 0.00 C ATOM 0 H LEU A 31 -5.277 7.459 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.663 4.632 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.639 5.617 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.952 6.758 1.257 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.465 4.845 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.435 2.688 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.238 3.060 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.869 3.272 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.539 4.506 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.978 5.161 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.419 6.205 3.569 1.00 0.00 H new ATOM 511 N LYS A 32 -8.080 4.564 -1.519 1.00 0.00 N ATOM 512 CA LYS A 32 -9.507 4.356 -1.732 1.00 0.00 C ATOM 513 C LYS A 32 -10.089 3.440 -0.660 1.00 0.00 C ATOM 514 O LYS A 32 -9.368 2.732 0.044 1.00 0.00 O ATOM 515 CB LYS A 32 -9.755 3.758 -3.118 1.00 0.00 C ATOM 516 CG LYS A 32 -9.929 4.801 -4.208 1.00 0.00 C ATOM 517 CD LYS A 32 -11.227 5.572 -4.040 1.00 0.00 C ATOM 518 CE LYS A 32 -11.301 6.754 -4.995 1.00 0.00 C ATOM 519 NZ LYS A 32 -11.129 6.333 -6.413 1.00 0.00 N ATOM 0 H LYS A 32 -7.478 3.988 -2.107 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.004 5.324 -1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.920 3.108 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.646 3.132 -3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.088 5.494 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.917 4.315 -5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.072 4.907 -4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.310 5.927 -3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.262 7.255 -4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.530 7.479 -4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.369 7.126 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.141 6.050 -6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.757 5.529 -6.615 1.00 0.00 H new ATOM 533 N PRO A 33 -11.424 3.451 -0.532 1.00 0.00 N ATOM 534 CA PRO A 33 -12.132 2.625 0.451 1.00 0.00 C ATOM 535 C PRO A 33 -12.079 1.140 0.106 1.00 0.00 C ATOM 536 O PRO A 33 -12.167 0.286 0.986 1.00 0.00 O ATOM 537 CB PRO A 33 -13.571 3.140 0.376 1.00 0.00 C ATOM 538 CG PRO A 33 -13.699 3.712 -0.994 1.00 0.00 C ATOM 539 CD PRO A 33 -12.345 4.270 -1.337 1.00 0.00 C ATOM 0 HA PRO A 33 -11.688 2.702 1.444 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.288 2.335 0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.762 3.895 1.139 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.999 2.947 -1.710 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.461 4.491 -1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.133 4.183 -2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.270 5.327 -1.082 1.00 0.00 H new ATOM 547 N ASN A 34 -11.934 0.842 -1.181 1.00 0.00 N ATOM 548 CA ASN A 34 -11.870 -0.541 -1.642 1.00 0.00 C ATOM 549 C ASN A 34 -10.742 -0.725 -2.653 1.00 0.00 C ATOM 550 O ASN A 34 -10.804 -1.603 -3.514 1.00 0.00 O ATOM 551 CB ASN A 34 -13.203 -0.954 -2.268 1.00 0.00 C ATOM 552 CG ASN A 34 -14.351 -0.888 -1.279 1.00 0.00 C ATOM 553 OD1 ASN A 34 -14.178 -0.460 -0.138 1.00 0.00 O ATOM 554 ND2 ASN A 34 -15.532 -1.315 -1.714 1.00 0.00 N ATOM 0 H ASN A 34 -11.859 1.538 -1.923 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.669 -1.177 -0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.420 -0.304 -3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.120 -1.969 -2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.341 -1.296 -1.094 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.629 -1.662 -2.668 1.00 0.00 H new ATOM 561 N ILE A 35 -9.713 0.109 -2.542 1.00 0.00 N ATOM 562 CA ILE A 35 -8.571 0.036 -3.445 1.00 0.00 C ATOM 563 C ILE A 35 -7.536 1.104 -3.108 1.00 0.00 C ATOM 564 O ILE A 35 -7.724 1.895 -2.183 1.00 0.00 O ATOM 565 CB ILE A 35 -9.003 0.202 -4.914 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.981 -0.452 -5.846 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.172 1.675 -5.253 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.598 -1.067 -7.082 1.00 0.00 C ATOM 0 H ILE A 35 -9.647 0.842 -1.836 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.128 -0.951 -3.315 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.963 -0.295 -5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.247 0.295 -6.149 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.442 -1.224 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.477 1.776 -6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.934 2.112 -4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.226 2.194 -5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.815 -1.512 -7.696 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.311 -1.838 -6.788 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.113 -0.295 -7.654 1.00 0.00 H new ATOM 580 N ILE A 36 -6.444 1.121 -3.865 1.00 0.00 N ATOM 581 CA ILE A 36 -5.380 2.094 -3.648 1.00 0.00 C ATOM 582 C ILE A 36 -4.683 2.447 -4.958 1.00 0.00 C ATOM 583 O ILE A 36 -3.895 1.662 -5.485 1.00 0.00 O ATOM 584 CB ILE A 36 -4.333 1.569 -2.648 1.00 0.00 C ATOM 585 CG1 ILE A 36 -4.900 1.587 -1.226 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.061 2.401 -2.727 1.00 0.00 C ATOM 587 CD1 ILE A 36 -3.914 1.125 -0.177 1.00 0.00 C ATOM 0 H ILE A 36 -6.273 0.473 -4.634 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.848 2.988 -3.236 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.088 0.539 -2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.226 2.599 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.784 0.950 -1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.331 2.018 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.650 2.342 -3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.290 3.440 -2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.384 1.164 0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.607 0.102 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.040 1.776 -0.187 1.00 0.00 H new ATOM 599 N SER A 37 -4.978 3.634 -5.477 1.00 0.00 N ATOM 600 CA SER A 37 -4.381 4.092 -6.726 1.00 0.00 C ATOM 601 C SER A 37 -3.443 5.269 -6.481 1.00 0.00 C ATOM 602 O SER A 37 -3.783 6.210 -5.763 1.00 0.00 O ATOM 603 CB SER A 37 -5.473 4.493 -7.721 1.00 0.00 C ATOM 604 OG SER A 37 -5.821 5.858 -7.571 1.00 0.00 O ATOM 0 H SER A 37 -5.627 4.296 -5.052 1.00 0.00 H new ATOM 0 HA SER A 37 -3.801 3.270 -7.145 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.127 4.312 -8.739 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.355 3.871 -7.569 1.00 0.00 H new ATOM 0 HG SER A 37 -5.482 6.368 -8.336 1.00 0.00 H new ATOM 610 N TYR A 38 -2.260 5.210 -7.083 1.00 0.00 N ATOM 611 CA TYR A 38 -1.270 6.269 -6.929 1.00 0.00 C ATOM 612 C TYR A 38 -0.938 6.905 -8.276 1.00 0.00 C ATOM 613 O TYR A 38 -0.415 6.245 -9.174 1.00 0.00 O ATOM 614 CB TYR A 38 0.003 5.717 -6.285 1.00 0.00 C ATOM 615 CG TYR A 38 0.630 4.581 -7.061 1.00 0.00 C ATOM 616 CD1 TYR A 38 0.007 3.341 -7.141 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.844 4.747 -7.716 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.577 2.300 -7.848 1.00 0.00 C ATOM 619 CE2 TYR A 38 2.420 3.712 -8.427 1.00 0.00 C ATOM 620 CZ TYR A 38 1.783 2.490 -8.489 1.00 0.00 C ATOM 621 OH TYR A 38 2.353 1.456 -9.196 1.00 0.00 O ATOM 0 H TYR A 38 -1.964 4.440 -7.682 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.694 7.036 -6.280 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.730 6.523 -6.187 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.229 5.373 -5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.939 3.189 -6.642 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.346 5.702 -7.668 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.081 1.342 -7.898 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.364 3.859 -8.931 1.00 0.00 H new ATOM 0 HH TYR A 38 3.200 1.755 -9.588 1.00 0.00 H new ATOM 631 N TYR A 39 -1.246 8.190 -8.408 1.00 0.00 N ATOM 632 CA TYR A 39 -0.983 8.916 -9.644 1.00 0.00 C ATOM 633 C TYR A 39 0.395 9.571 -9.609 1.00 0.00 C ATOM 634 O TYR A 39 0.821 10.093 -8.578 1.00 0.00 O ATOM 635 CB TYR A 39 -2.059 9.978 -9.876 1.00 0.00 C ATOM 636 CG TYR A 39 -3.467 9.429 -9.847 1.00 0.00 C ATOM 637 CD1 TYR A 39 -4.157 9.294 -8.648 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.108 9.044 -11.018 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.443 8.793 -8.616 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.395 8.542 -10.996 1.00 0.00 C ATOM 641 CZ TYR A 39 -6.059 8.418 -9.793 1.00 0.00 C ATOM 642 OH TYR A 39 -7.340 7.918 -9.766 1.00 0.00 O ATOM 0 H TYR A 39 -1.678 8.751 -7.674 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.005 8.201 -10.466 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.964 10.752 -9.114 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.884 10.456 -10.840 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.679 9.586 -7.725 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.591 9.139 -11.962 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.964 8.695 -7.675 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.879 8.248 -11.916 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.627 7.703 -10.678 1.00 0.00 H new ATOM 652 N VAL A 40 1.087 9.540 -10.743 1.00 0.00 N ATOM 653 CA VAL A 40 2.416 10.132 -10.844 1.00 0.00 C ATOM 654 C VAL A 40 2.439 11.535 -10.249 1.00 0.00 C ATOM 655 O VAL A 40 3.471 11.997 -9.761 1.00 0.00 O ATOM 656 CB VAL A 40 2.890 10.200 -12.308 1.00 0.00 C ATOM 657 CG1 VAL A 40 2.080 11.226 -13.085 1.00 0.00 C ATOM 658 CG2 VAL A 40 4.376 10.521 -12.372 1.00 0.00 C ATOM 0 H VAL A 40 0.750 9.111 -11.605 1.00 0.00 H new ATOM 0 HA VAL A 40 3.092 9.490 -10.280 1.00 0.00 H new ATOM 0 HB VAL A 40 2.732 9.225 -12.769 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.429 11.260 -14.117 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.027 10.947 -13.068 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.203 12.208 -12.628 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.694 10.565 -13.414 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.561 11.483 -11.895 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.939 9.745 -11.853 1.00 0.00 H new ATOM 668 N SER A 41 1.294 12.210 -10.291 1.00 0.00 N ATOM 669 CA SER A 41 1.184 13.563 -9.759 1.00 0.00 C ATOM 670 C SER A 41 -0.115 13.734 -8.977 1.00 0.00 C ATOM 671 O SER A 41 -0.982 12.861 -8.995 1.00 0.00 O ATOM 672 CB SER A 41 1.249 14.587 -10.893 1.00 0.00 C ATOM 673 OG SER A 41 2.528 14.592 -11.503 1.00 0.00 O ATOM 0 H SER A 41 0.430 11.842 -10.688 1.00 0.00 H new ATOM 0 HA SER A 41 2.021 13.730 -9.081 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.488 14.357 -11.639 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.024 15.580 -10.504 1.00 0.00 H new ATOM 0 HG SER A 41 2.543 15.254 -12.226 1.00 0.00 H new ATOM 679 N GLU A 42 -0.241 14.866 -8.291 1.00 0.00 N ATOM 680 CA GLU A 42 -1.433 15.152 -7.502 1.00 0.00 C ATOM 681 C GLU A 42 -2.505 15.819 -8.358 1.00 0.00 C ATOM 682 O GLU A 42 -3.377 16.521 -7.845 1.00 0.00 O ATOM 683 CB GLU A 42 -1.082 16.050 -6.314 1.00 0.00 C ATOM 684 CG GLU A 42 -0.981 17.523 -6.673 1.00 0.00 C ATOM 685 CD GLU A 42 -0.278 18.337 -5.604 1.00 0.00 C ATOM 686 OE1 GLU A 42 -0.471 18.039 -4.407 1.00 0.00 O ATOM 687 OE2 GLU A 42 0.465 19.273 -5.966 1.00 0.00 O ATOM 0 H GLU A 42 0.468 15.599 -8.266 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.826 14.206 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.838 15.925 -5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.133 15.722 -5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.444 17.627 -7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.982 17.924 -6.830 1.00 0.00 H new ATOM 694 N ASP A 43 -2.433 15.595 -9.666 1.00 0.00 N ATOM 695 CA ASP A 43 -3.397 16.174 -10.595 1.00 0.00 C ATOM 696 C ASP A 43 -4.432 15.137 -11.020 1.00 0.00 C ATOM 697 O ASP A 43 -5.528 15.483 -11.464 1.00 0.00 O ATOM 698 CB ASP A 43 -2.680 16.732 -11.825 1.00 0.00 C ATOM 699 CG ASP A 43 -1.998 18.057 -11.547 1.00 0.00 C ATOM 700 OD1 ASP A 43 -1.739 18.353 -10.362 1.00 0.00 O ATOM 701 OD2 ASP A 43 -1.723 18.796 -12.514 1.00 0.00 O ATOM 0 H ASP A 43 -1.717 15.017 -10.107 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.913 16.988 -10.085 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.939 16.010 -12.168 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.399 16.860 -12.634 1.00 0.00 H new ATOM 706 N LEU A 44 -4.077 13.864 -10.883 1.00 0.00 N ATOM 707 CA LEU A 44 -4.974 12.775 -11.254 1.00 0.00 C ATOM 708 C LEU A 44 -5.132 12.692 -12.768 1.00 0.00 C ATOM 709 O LEU A 44 -6.235 12.493 -13.279 1.00 0.00 O ATOM 710 CB LEU A 44 -6.342 12.969 -10.596 1.00 0.00 C ATOM 711 CG LEU A 44 -6.328 13.322 -9.109 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.737 13.610 -8.615 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.697 12.198 -8.300 1.00 0.00 C ATOM 0 H LEU A 44 -3.174 13.561 -10.518 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.537 11.841 -10.902 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.871 13.757 -11.131 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.918 12.053 -10.726 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.727 14.221 -8.975 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.707 13.859 -7.554 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.154 14.448 -9.173 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.362 12.729 -8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.695 12.467 -7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.271 11.282 -8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.672 12.039 -8.635 1.00 0.00 H new ATOM 725 N LYS A 45 -4.023 12.843 -13.483 1.00 0.00 N ATOM 726 CA LYS A 45 -4.036 12.781 -14.940 1.00 0.00 C ATOM 727 C LYS A 45 -3.376 11.499 -15.436 1.00 0.00 C ATOM 728 O LYS A 45 -3.918 10.802 -16.294 1.00 0.00 O ATOM 729 CB LYS A 45 -3.318 13.998 -15.528 1.00 0.00 C ATOM 730 CG LYS A 45 -3.930 15.325 -15.114 1.00 0.00 C ATOM 731 CD LYS A 45 -3.363 16.478 -15.925 1.00 0.00 C ATOM 732 CE LYS A 45 -4.080 16.627 -17.258 1.00 0.00 C ATOM 733 NZ LYS A 45 -3.221 17.290 -18.279 1.00 0.00 N ATOM 0 H LYS A 45 -3.102 13.009 -13.077 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.075 12.784 -15.270 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.273 13.977 -15.218 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.330 13.926 -16.616 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.011 15.284 -15.245 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.743 15.498 -14.054 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.454 17.403 -15.356 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.300 16.314 -16.099 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.382 15.644 -17.620 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.991 17.208 -17.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.746 17.373 -19.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.954 18.238 -17.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.363 16.722 -18.432 1.00 0.00 H new ATOM 747 N ASP A 46 -2.204 11.193 -14.891 1.00 0.00 N ATOM 748 CA ASP A 46 -1.471 9.992 -15.277 1.00 0.00 C ATOM 749 C ASP A 46 -1.329 9.038 -14.094 1.00 0.00 C ATOM 750 O ASP A 46 -0.449 9.205 -13.250 1.00 0.00 O ATOM 751 CB ASP A 46 -0.089 10.364 -15.817 1.00 0.00 C ATOM 752 CG ASP A 46 0.392 9.402 -16.885 1.00 0.00 C ATOM 753 OD1 ASP A 46 -0.455 8.877 -17.637 1.00 0.00 O ATOM 754 OD2 ASP A 46 1.617 9.175 -16.970 1.00 0.00 O ATOM 0 H ASP A 46 -1.741 11.760 -14.181 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.035 9.488 -16.061 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.122 11.373 -16.229 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.627 10.378 -14.996 1.00 0.00 H new ATOM 759 N LYS A 47 -2.203 8.039 -14.039 1.00 0.00 N ATOM 760 CA LYS A 47 -2.176 7.057 -12.961 1.00 0.00 C ATOM 761 C LYS A 47 -1.007 6.092 -13.133 1.00 0.00 C ATOM 762 O LYS A 47 -0.716 5.644 -14.242 1.00 0.00 O ATOM 763 CB LYS A 47 -3.493 6.278 -12.920 1.00 0.00 C ATOM 764 CG LYS A 47 -3.670 5.449 -11.660 1.00 0.00 C ATOM 765 CD LYS A 47 -4.616 4.282 -11.889 1.00 0.00 C ATOM 766 CE LYS A 47 -6.069 4.706 -11.744 1.00 0.00 C ATOM 767 NZ LYS A 47 -6.649 5.152 -13.041 1.00 0.00 N ATOM 0 H LYS A 47 -2.939 7.888 -14.729 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.047 7.591 -12.020 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.323 6.980 -13.003 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.544 5.620 -13.788 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.701 5.074 -11.331 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.056 6.080 -10.859 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.454 3.871 -12.885 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.395 3.488 -11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.653 3.873 -11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.140 5.515 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.683 5.222 -12.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.260 6.083 -13.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.410 4.464 -13.783 1.00 0.00 H new ATOM 781 N LYS A 48 -0.341 5.775 -12.028 1.00 0.00 N ATOM 782 CA LYS A 48 0.795 4.861 -12.054 1.00 0.00 C ATOM 783 C LYS A 48 0.325 3.411 -12.103 1.00 0.00 C ATOM 784 O LYS A 48 0.901 2.585 -12.811 1.00 0.00 O ATOM 785 CB LYS A 48 1.681 5.080 -10.826 1.00 0.00 C ATOM 786 CG LYS A 48 2.257 6.482 -10.733 1.00 0.00 C ATOM 787 CD LYS A 48 3.416 6.674 -11.697 1.00 0.00 C ATOM 788 CE LYS A 48 4.659 5.932 -11.228 1.00 0.00 C ATOM 789 NZ LYS A 48 4.710 4.542 -11.762 1.00 0.00 N ATOM 0 H LYS A 48 -0.569 6.138 -11.102 1.00 0.00 H new ATOM 0 HA LYS A 48 1.375 5.067 -12.954 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.099 4.875 -9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.500 4.361 -10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.477 7.212 -10.950 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.595 6.671 -9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.130 6.318 -12.687 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.639 7.737 -11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.548 6.476 -11.546 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.675 5.903 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.741 3.867 -10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.864 4.361 -12.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.561 4.427 -12.349 1.00 0.00 H new ATOM 803 N GLY A 49 -0.726 3.108 -11.348 1.00 0.00 N ATOM 804 CA GLY A 49 -1.257 1.758 -11.321 1.00 0.00 C ATOM 805 C GLY A 49 -2.401 1.603 -10.339 1.00 0.00 C ATOM 806 O GLY A 49 -2.913 2.591 -9.812 1.00 0.00 O ATOM 0 H GLY A 49 -1.220 3.774 -10.754 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.600 1.486 -12.319 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.460 1.063 -11.058 1.00 0.00 H new ATOM 810 N ASP A 50 -2.804 0.361 -10.093 1.00 0.00 N ATOM 811 CA ASP A 50 -3.896 0.080 -9.169 1.00 0.00 C ATOM 812 C ASP A 50 -3.528 -1.060 -8.224 1.00 0.00 C ATOM 813 O ASP A 50 -2.856 -2.013 -8.619 1.00 0.00 O ATOM 814 CB ASP A 50 -5.169 -0.269 -9.940 1.00 0.00 C ATOM 815 CG ASP A 50 -4.881 -1.047 -11.210 1.00 0.00 C ATOM 816 OD1 ASP A 50 -4.530 -0.413 -12.227 1.00 0.00 O ATOM 817 OD2 ASP A 50 -5.007 -2.289 -11.186 1.00 0.00 O ATOM 0 H ASP A 50 -2.390 -0.467 -10.521 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.076 0.976 -8.575 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.829 -0.855 -9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.701 0.648 -10.192 1.00 0.00 H new ATOM 822 N ILE A 51 -3.973 -0.955 -6.977 1.00 0.00 N ATOM 823 CA ILE A 51 -3.691 -1.977 -5.977 1.00 0.00 C ATOM 824 C ILE A 51 -4.980 -2.557 -5.404 1.00 0.00 C ATOM 825 O ILE A 51 -5.573 -1.991 -4.485 1.00 0.00 O ATOM 826 CB ILE A 51 -2.836 -1.418 -4.825 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.501 -0.895 -5.358 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.608 -2.487 -3.767 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.696 -0.132 -4.329 1.00 0.00 C ATOM 0 H ILE A 51 -4.530 -0.172 -6.635 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.134 -2.766 -6.482 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.372 -0.588 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.909 -1.736 -5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.690 -0.246 -6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.002 -2.076 -2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.568 -2.816 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.090 -3.336 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.237 0.209 -4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.269 0.729 -3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.476 -0.783 -3.483 1.00 0.00 H new ATOM 841 N LEU A 52 -5.408 -3.689 -5.952 1.00 0.00 N ATOM 842 CA LEU A 52 -6.626 -4.347 -5.495 1.00 0.00 C ATOM 843 C LEU A 52 -6.523 -4.721 -4.020 1.00 0.00 C ATOM 844 O LEU A 52 -5.768 -5.620 -3.648 1.00 0.00 O ATOM 845 CB LEU A 52 -6.898 -5.599 -6.332 1.00 0.00 C ATOM 846 CG LEU A 52 -6.825 -5.420 -7.849 1.00 0.00 C ATOM 847 CD1 LEU A 52 -6.943 -6.765 -8.551 1.00 0.00 C ATOM 848 CD2 LEU A 52 -7.913 -4.470 -8.327 1.00 0.00 C ATOM 0 H LEU A 52 -4.929 -4.170 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.454 -3.648 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.182 -6.368 -6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.889 -5.974 -6.078 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.857 -4.986 -8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.889 -6.618 -9.630 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.128 -7.415 -8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.897 -7.227 -8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.846 -4.355 -9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.890 -4.875 -8.065 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.783 -3.499 -7.850 1.00 0.00 H new ATOM 860 N LEU A 53 -7.287 -4.026 -3.184 1.00 0.00 N ATOM 861 CA LEU A 53 -7.283 -4.286 -1.749 1.00 0.00 C ATOM 862 C LEU A 53 -8.141 -5.502 -1.413 1.00 0.00 C ATOM 863 O LEU A 53 -9.194 -5.716 -2.015 1.00 0.00 O ATOM 864 CB LEU A 53 -7.793 -3.062 -0.987 1.00 0.00 C ATOM 865 CG LEU A 53 -6.786 -1.929 -0.785 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.476 -0.695 -0.226 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.660 -2.376 0.136 1.00 0.00 C ATOM 0 H LEU A 53 -7.917 -3.278 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.257 -4.493 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.657 -2.663 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.143 -3.389 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.357 -1.672 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.744 0.101 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.247 -0.363 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.933 -0.937 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.952 -1.558 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.073 -2.660 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.147 -3.231 -0.305 1.00 0.00 H new ATOM 879 N ASP A 54 -7.686 -6.293 -0.449 1.00 0.00 N ATOM 880 CA ASP A 54 -8.413 -7.486 -0.030 1.00 0.00 C ATOM 881 C ASP A 54 -7.798 -8.083 1.232 1.00 0.00 C ATOM 882 O ASP A 54 -6.605 -7.923 1.487 1.00 0.00 O ATOM 883 CB ASP A 54 -8.418 -8.526 -1.152 1.00 0.00 C ATOM 884 CG ASP A 54 -9.202 -9.770 -0.784 1.00 0.00 C ATOM 885 OD1 ASP A 54 -10.374 -9.634 -0.375 1.00 0.00 O ATOM 886 OD2 ASP A 54 -8.644 -10.881 -0.905 1.00 0.00 O ATOM 0 H ASP A 54 -6.816 -6.130 0.058 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.440 -7.196 0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.845 -8.084 -2.052 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.391 -8.804 -1.390 1.00 0.00 H new ATOM 891 N GLU A 55 -8.621 -8.771 2.017 1.00 0.00 N ATOM 892 CA GLU A 55 -8.158 -9.390 3.253 1.00 0.00 C ATOM 893 C GLU A 55 -6.708 -9.849 3.121 1.00 0.00 C ATOM 894 O GLU A 55 -5.901 -9.660 4.030 1.00 0.00 O ATOM 895 CB GLU A 55 -9.049 -10.578 3.620 1.00 0.00 C ATOM 896 CG GLU A 55 -9.072 -11.671 2.566 1.00 0.00 C ATOM 897 CD GLU A 55 -10.106 -12.741 2.857 1.00 0.00 C ATOM 898 OE1 GLU A 55 -11.223 -12.387 3.287 1.00 0.00 O ATOM 899 OE2 GLU A 55 -9.797 -13.934 2.654 1.00 0.00 O ATOM 0 H GLU A 55 -9.611 -8.914 1.819 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.215 -8.644 4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.704 -11.002 4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.066 -10.221 3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.278 -11.227 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.086 -12.131 2.504 1.00 0.00 H new ATOM 906 N ASN A 56 -6.387 -10.455 1.982 1.00 0.00 N ATOM 907 CA ASN A 56 -5.036 -10.943 1.731 1.00 0.00 C ATOM 908 C ASN A 56 -4.015 -9.819 1.883 1.00 0.00 C ATOM 909 O ASN A 56 -3.096 -9.907 2.698 1.00 0.00 O ATOM 910 CB ASN A 56 -4.942 -11.546 0.328 1.00 0.00 C ATOM 911 CG ASN A 56 -5.264 -13.028 0.313 1.00 0.00 C ATOM 912 OD1 ASN A 56 -4.410 -13.856 -0.003 1.00 0.00 O ATOM 913 ND2 ASN A 56 -6.501 -13.368 0.656 1.00 0.00 N ATOM 0 H ASN A 56 -7.044 -10.620 1.219 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.812 -11.715 2.467 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.628 -11.021 -0.337 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.937 -11.391 -0.064 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.776 -14.350 0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.176 -12.647 0.911 1.00 0.00 H new ATOM 920 N CYS A 57 -4.183 -8.764 1.093 1.00 0.00 N ATOM 921 CA CYS A 57 -3.277 -7.622 1.139 1.00 0.00 C ATOM 922 C CYS A 57 -3.252 -7.003 2.533 1.00 0.00 C ATOM 923 O CYS A 57 -4.275 -6.945 3.216 1.00 0.00 O ATOM 924 CB CYS A 57 -3.696 -6.571 0.109 1.00 0.00 C ATOM 925 SG CYS A 57 -3.476 -7.096 -1.621 1.00 0.00 S ATOM 0 H CYS A 57 -4.938 -8.676 0.413 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.274 -7.976 0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.744 -6.318 0.270 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.119 -5.662 0.278 1.00 0.00 H new ATOM 930 N CYS A 58 -2.078 -6.542 2.949 1.00 0.00 N ATOM 931 CA CYS A 58 -1.919 -5.927 4.262 1.00 0.00 C ATOM 932 C CYS A 58 -0.700 -5.011 4.289 1.00 0.00 C ATOM 933 O CYS A 58 0.211 -5.148 3.473 1.00 0.00 O ATOM 934 CB CYS A 58 -1.786 -7.004 5.340 1.00 0.00 C ATOM 935 SG CYS A 58 -0.346 -8.079 5.137 1.00 0.00 S ATOM 0 H CYS A 58 -1.222 -6.582 2.396 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.806 -5.327 4.465 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.731 -6.521 6.316 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.687 -7.618 5.338 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.319 -8.955 6.097 1.00 0.00 H new ATOM 941 N VAL A 59 -0.691 -4.074 5.233 1.00 0.00 N ATOM 942 CA VAL A 59 0.415 -3.134 5.366 1.00 0.00 C ATOM 943 C VAL A 59 1.189 -3.376 6.658 1.00 0.00 C ATOM 944 O VAL A 59 0.600 -3.654 7.702 1.00 0.00 O ATOM 945 CB VAL A 59 -0.082 -1.676 5.344 1.00 0.00 C ATOM 946 CG1 VAL A 59 -1.044 -1.421 6.494 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.094 -0.712 5.398 1.00 0.00 C ATOM 0 H VAL A 59 -1.437 -3.946 5.916 1.00 0.00 H new ATOM 0 HA VAL A 59 1.075 -3.298 4.514 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.618 -1.508 4.410 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.384 -0.386 6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.902 -2.088 6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.537 -1.607 7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.725 0.313 5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.660 -0.879 6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.741 -0.879 4.537 1.00 0.00 H new ATOM 957 N GLU A 60 2.511 -3.267 6.578 1.00 0.00 N ATOM 958 CA GLU A 60 3.366 -3.474 7.741 1.00 0.00 C ATOM 959 C GLU A 60 4.399 -2.358 7.863 1.00 0.00 C ATOM 960 O GLU A 60 4.608 -1.586 6.927 1.00 0.00 O ATOM 961 CB GLU A 60 4.071 -4.829 7.649 1.00 0.00 C ATOM 962 CG GLU A 60 3.119 -5.999 7.466 1.00 0.00 C ATOM 963 CD GLU A 60 2.305 -6.289 8.712 1.00 0.00 C ATOM 964 OE1 GLU A 60 2.912 -6.454 9.792 1.00 0.00 O ATOM 965 OE2 GLU A 60 1.062 -6.351 8.609 1.00 0.00 O ATOM 0 H GLU A 60 3.013 -3.037 5.721 1.00 0.00 H new ATOM 0 HA GLU A 60 2.736 -3.460 8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.772 -4.808 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.657 -4.986 8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.444 -5.787 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.689 -6.887 7.194 1.00 0.00 H new ATOM 972 N SER A 61 5.042 -2.279 9.024 1.00 0.00 N ATOM 973 CA SER A 61 6.050 -1.255 9.271 1.00 0.00 C ATOM 974 C SER A 61 7.452 -1.802 9.024 1.00 0.00 C ATOM 975 O SER A 61 7.753 -2.948 9.363 1.00 0.00 O ATOM 976 CB SER A 61 5.939 -0.735 10.706 1.00 0.00 C ATOM 977 OG SER A 61 6.095 -1.786 11.643 1.00 0.00 O ATOM 0 H SER A 61 4.883 -2.912 9.808 1.00 0.00 H new ATOM 0 HA SER A 61 5.873 -0.432 8.579 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.699 0.027 10.880 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.970 -0.257 10.849 1.00 0.00 H new ATOM 0 HG SER A 61 6.022 -1.427 12.552 1.00 0.00 H new ATOM 983 N LEU A 62 8.307 -0.976 8.431 1.00 0.00 N ATOM 984 CA LEU A 62 9.679 -1.376 8.138 1.00 0.00 C ATOM 985 C LEU A 62 10.668 -0.614 9.015 1.00 0.00 C ATOM 986 O LEU A 62 10.403 0.500 9.467 1.00 0.00 O ATOM 987 CB LEU A 62 9.997 -1.134 6.662 1.00 0.00 C ATOM 988 CG LEU A 62 9.166 -1.932 5.656 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.226 -1.285 4.281 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.647 -3.374 5.591 1.00 0.00 C ATOM 0 H LEU A 62 8.074 -0.025 8.144 1.00 0.00 H new ATOM 0 HA LEU A 62 9.775 -2.440 8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.864 -0.073 6.452 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.050 -1.363 6.496 1.00 0.00 H new ATOM 0 HG LEU A 62 8.128 -1.931 5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.629 -1.867 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.832 -0.270 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.260 -1.253 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.044 -3.926 4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.692 -3.395 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.550 -3.835 6.574 1.00 0.00 H new ATOM 1002 N PRO A 63 11.836 -1.226 9.259 1.00 0.00 N ATOM 1003 CA PRO A 63 12.890 -0.622 10.080 1.00 0.00 C ATOM 1004 C PRO A 63 13.546 0.572 9.395 1.00 0.00 C ATOM 1005 O PRO A 63 13.100 1.014 8.336 1.00 0.00 O ATOM 1006 CB PRO A 63 13.899 -1.759 10.255 1.00 0.00 C ATOM 1007 CG PRO A 63 13.686 -2.640 9.073 1.00 0.00 C ATOM 1008 CD PRO A 63 12.219 -2.554 8.751 1.00 0.00 C ATOM 0 HA PRO A 63 12.501 -0.231 11.020 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.921 -1.380 10.287 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.730 -2.299 11.187 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.291 -2.312 8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.977 -3.667 9.294 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.037 -2.643 7.680 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.653 -3.349 9.237 1.00 0.00 H new ATOM 1016 N ASP A 64 14.606 1.089 10.006 1.00 0.00 N ATOM 1017 CA ASP A 64 15.325 2.231 9.454 1.00 0.00 C ATOM 1018 C ASP A 64 16.397 1.775 8.469 1.00 0.00 C ATOM 1019 O ASP A 64 17.312 1.034 8.829 1.00 0.00 O ATOM 1020 CB ASP A 64 15.963 3.051 10.577 1.00 0.00 C ATOM 1021 CG ASP A 64 16.594 2.178 11.644 1.00 0.00 C ATOM 1022 OD1 ASP A 64 17.739 1.724 11.437 1.00 0.00 O ATOM 1023 OD2 ASP A 64 15.943 1.949 12.685 1.00 0.00 O ATOM 0 H ASP A 64 14.986 0.735 10.884 1.00 0.00 H new ATOM 0 HA ASP A 64 14.609 2.855 8.920 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.722 3.710 10.156 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.205 3.688 11.034 1.00 0.00 H new ATOM 1028 N LYS A 65 16.276 2.221 7.223 1.00 0.00 N ATOM 1029 CA LYS A 65 17.234 1.859 6.184 1.00 0.00 C ATOM 1030 C LYS A 65 17.403 2.995 5.181 1.00 0.00 C ATOM 1031 O LYS A 65 16.605 3.932 5.149 1.00 0.00 O ATOM 1032 CB LYS A 65 16.778 0.589 5.462 1.00 0.00 C ATOM 1033 CG LYS A 65 15.539 0.788 4.606 1.00 0.00 C ATOM 1034 CD LYS A 65 15.105 -0.508 3.942 1.00 0.00 C ATOM 1035 CE LYS A 65 14.133 -1.284 4.818 1.00 0.00 C ATOM 1036 NZ LYS A 65 13.375 -2.302 4.038 1.00 0.00 N ATOM 0 H LYS A 65 15.524 2.834 6.908 1.00 0.00 H new ATOM 0 HA LYS A 65 18.197 1.673 6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.591 0.228 4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.578 -0.187 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.727 1.171 5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.740 1.539 3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.636 -0.288 2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.981 -1.123 3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.681 -1.776 5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.434 -0.591 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.724 -2.809 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.832 -1.830 3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.040 -2.978 3.611 1.00 0.00 H new ATOM 1050 N ASP A 66 18.445 2.904 4.361 1.00 0.00 N ATOM 1051 CA ASP A 66 18.717 3.923 3.354 1.00 0.00 C ATOM 1052 C ASP A 66 18.487 5.321 3.920 1.00 0.00 C ATOM 1053 O ASP A 66 17.923 6.187 3.253 1.00 0.00 O ATOM 1054 CB ASP A 66 17.833 3.705 2.126 1.00 0.00 C ATOM 1055 CG ASP A 66 18.471 4.228 0.853 1.00 0.00 C ATOM 1056 OD1 ASP A 66 18.575 5.463 0.707 1.00 0.00 O ATOM 1057 OD2 ASP A 66 18.864 3.401 0.004 1.00 0.00 O ATOM 0 H ASP A 66 19.115 2.135 4.374 1.00 0.00 H new ATOM 0 HA ASP A 66 19.763 3.837 3.059 1.00 0.00 H new ATOM 0 HB2 ASP A 66 17.627 2.640 2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.875 4.201 2.279 1.00 0.00 H new ATOM 1062 N GLY A 67 18.928 5.534 5.157 1.00 0.00 N ATOM 1063 CA GLY A 67 18.759 6.828 5.792 1.00 0.00 C ATOM 1064 C GLY A 67 17.301 7.196 5.980 1.00 0.00 C ATOM 1065 O GLY A 67 16.874 8.286 5.598 1.00 0.00 O ATOM 0 H GLY A 67 19.399 4.834 5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.257 6.821 6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.248 7.592 5.188 1.00 0.00 H new ATOM 1069 N LYS A 68 16.533 6.286 6.569 1.00 0.00 N ATOM 1070 CA LYS A 68 15.114 6.519 6.807 1.00 0.00 C ATOM 1071 C LYS A 68 14.803 6.504 8.300 1.00 0.00 C ATOM 1072 O LYS A 68 15.672 6.218 9.123 1.00 0.00 O ATOM 1073 CB LYS A 68 14.275 5.459 6.089 1.00 0.00 C ATOM 1074 CG LYS A 68 14.234 5.634 4.581 1.00 0.00 C ATOM 1075 CD LYS A 68 13.337 6.793 4.178 1.00 0.00 C ATOM 1076 CE LYS A 68 13.462 7.104 2.694 1.00 0.00 C ATOM 1077 NZ LYS A 68 14.812 7.627 2.349 1.00 0.00 N ATOM 0 H LYS A 68 16.870 5.379 6.891 1.00 0.00 H new ATOM 0 HA LYS A 68 14.861 7.503 6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.676 4.472 6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.257 5.489 6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.243 5.806 4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.874 4.716 4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.301 6.552 4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.599 7.677 4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.264 6.202 2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.706 7.836 2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.777 8.091 1.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.112 8.316 3.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.492 6.840 2.319 1.00 0.00 H new ATOM 1091 N LYS A 69 13.557 6.813 8.643 1.00 0.00 N ATOM 1092 CA LYS A 69 13.129 6.833 10.037 1.00 0.00 C ATOM 1093 C LYS A 69 11.796 6.111 10.207 1.00 0.00 C ATOM 1094 O LYS A 69 11.601 5.368 11.170 1.00 0.00 O ATOM 1095 CB LYS A 69 13.008 8.275 10.534 1.00 0.00 C ATOM 1096 CG LYS A 69 12.389 9.219 9.518 1.00 0.00 C ATOM 1097 CD LYS A 69 13.424 9.729 8.529 1.00 0.00 C ATOM 1098 CE LYS A 69 14.126 10.974 9.050 1.00 0.00 C ATOM 1099 NZ LYS A 69 13.163 12.070 9.348 1.00 0.00 N ATOM 0 H LYS A 69 12.825 7.053 7.974 1.00 0.00 H new ATOM 0 HA LYS A 69 13.882 6.313 10.630 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.406 8.288 11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.999 8.642 10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.593 8.705 8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.932 10.063 10.035 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.160 8.949 8.336 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.941 9.953 7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.684 10.725 9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.851 11.318 8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.622 12.989 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.335 11.983 8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.858 12.004 10.340 1.00 0.00 H new ATOM 1113 N CYS A 70 10.884 6.333 9.267 1.00 0.00 N ATOM 1114 CA CYS A 70 9.570 5.703 9.313 1.00 0.00 C ATOM 1115 C CYS A 70 9.206 5.104 7.959 1.00 0.00 C ATOM 1116 O CYS A 70 8.736 5.806 7.063 1.00 0.00 O ATOM 1117 CB CYS A 70 8.509 6.719 9.737 1.00 0.00 C ATOM 1118 SG CYS A 70 8.702 7.327 11.428 1.00 0.00 S ATOM 0 H CYS A 70 11.031 6.945 8.464 1.00 0.00 H new ATOM 0 HA CYS A 70 9.606 4.898 10.047 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.539 7.566 9.052 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.524 6.263 9.637 1.00 0.00 H new ATOM 0 HG CYS A 70 7.754 6.843 12.174 1.00 0.00 H new ATOM 1124 N LEU A 71 9.428 3.802 7.815 1.00 0.00 N ATOM 1125 CA LEU A 71 9.125 3.108 6.568 1.00 0.00 C ATOM 1126 C LEU A 71 7.992 2.106 6.764 1.00 0.00 C ATOM 1127 O LEU A 71 7.725 1.665 7.882 1.00 0.00 O ATOM 1128 CB LEU A 71 10.371 2.390 6.045 1.00 0.00 C ATOM 1129 CG LEU A 71 11.424 3.274 5.376 1.00 0.00 C ATOM 1130 CD1 LEU A 71 12.798 2.628 5.463 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.050 3.543 3.925 1.00 0.00 C ATOM 0 H LEU A 71 9.817 3.206 8.546 1.00 0.00 H new ATOM 0 HA LEU A 71 8.807 3.850 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.841 1.867 6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.055 1.631 5.329 1.00 0.00 H new ATOM 0 HG LEU A 71 11.460 4.227 5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.534 3.272 4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.068 2.487 6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.778 1.661 4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.810 4.174 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.986 2.599 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.086 4.050 3.886 1.00 0.00 H new ATOM 1143 N PHE A 72 7.330 1.748 5.669 1.00 0.00 N ATOM 1144 CA PHE A 72 6.226 0.796 5.720 1.00 0.00 C ATOM 1145 C PHE A 72 5.982 0.171 4.349 1.00 0.00 C ATOM 1146 O PHE A 72 5.871 0.875 3.344 1.00 0.00 O ATOM 1147 CB PHE A 72 4.952 1.487 6.212 1.00 0.00 C ATOM 1148 CG PHE A 72 4.352 2.426 5.205 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.487 1.957 4.230 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.654 3.778 5.233 1.00 0.00 C ATOM 1151 CE1 PHE A 72 2.933 2.818 3.301 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.103 4.644 4.308 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.242 4.164 3.340 1.00 0.00 C ATOM 0 H PHE A 72 7.538 2.102 4.736 1.00 0.00 H new ATOM 0 HA PHE A 72 6.495 0.003 6.418 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.215 0.728 6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.177 2.040 7.124 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.242 0.906 4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.328 4.159 5.986 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.260 2.439 2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.345 5.696 4.342 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.812 4.839 2.615 1.00 0.00 H new ATOM 1163 N LEU A 73 5.902 -1.154 4.316 1.00 0.00 N ATOM 1164 CA LEU A 73 5.672 -1.876 3.069 1.00 0.00 C ATOM 1165 C LEU A 73 4.361 -2.653 3.123 1.00 0.00 C ATOM 1166 O LEU A 73 3.959 -3.140 4.180 1.00 0.00 O ATOM 1167 CB LEU A 73 6.833 -2.831 2.788 1.00 0.00 C ATOM 1168 CG LEU A 73 6.679 -3.733 1.563 1.00 0.00 C ATOM 1169 CD1 LEU A 73 8.039 -4.056 0.964 1.00 0.00 C ATOM 1170 CD2 LEU A 73 5.940 -5.011 1.932 1.00 0.00 C ATOM 0 H LEU A 73 5.993 -1.751 5.138 1.00 0.00 H new ATOM 0 HA LEU A 73 5.607 -1.146 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.742 -2.241 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.977 -3.463 3.664 1.00 0.00 H new ATOM 0 HG LEU A 73 6.092 -3.200 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.910 -4.699 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.533 -3.132 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.651 -4.569 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.839 -5.641 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.500 -5.547 2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.950 -4.761 2.314 1.00 0.00 H new ATOM 1182 N VAL A 74 3.699 -2.767 1.976 1.00 0.00 N ATOM 1183 CA VAL A 74 2.434 -3.488 1.892 1.00 0.00 C ATOM 1184 C VAL A 74 2.582 -4.762 1.068 1.00 0.00 C ATOM 1185 O VAL A 74 3.084 -4.734 -0.056 1.00 0.00 O ATOM 1186 CB VAL A 74 1.329 -2.614 1.271 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.035 -3.401 1.139 1.00 0.00 C ATOM 1188 CG2 VAL A 74 1.116 -1.356 2.100 1.00 0.00 C ATOM 0 H VAL A 74 4.017 -2.369 1.092 1.00 0.00 H new ATOM 0 HA VAL A 74 2.150 -3.748 2.912 1.00 0.00 H new ATOM 0 HB VAL A 74 1.646 -2.314 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.734 -2.766 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.200 -4.268 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.291 -3.734 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.332 -0.750 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.821 -1.633 3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.042 -0.783 2.136 1.00 0.00 H new ATOM 1198 N LYS A 75 2.141 -5.881 1.634 1.00 0.00 N ATOM 1199 CA LYS A 75 2.222 -7.167 0.952 1.00 0.00 C ATOM 1200 C LYS A 75 0.859 -7.580 0.406 1.00 0.00 C ATOM 1201 O LYS A 75 -0.158 -7.455 1.088 1.00 0.00 O ATOM 1202 CB LYS A 75 2.747 -8.242 1.907 1.00 0.00 C ATOM 1203 CG LYS A 75 4.255 -8.211 2.086 1.00 0.00 C ATOM 1204 CD LYS A 75 4.659 -7.341 3.265 1.00 0.00 C ATOM 1205 CE LYS A 75 4.475 -8.072 4.586 1.00 0.00 C ATOM 1206 NZ LYS A 75 5.677 -8.872 4.950 1.00 0.00 N ATOM 0 H LYS A 75 1.724 -5.923 2.564 1.00 0.00 H new ATOM 0 HA LYS A 75 2.913 -7.063 0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.271 -8.116 2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.454 -9.223 1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.625 -9.225 2.237 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.723 -7.833 1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.701 -7.040 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.063 -6.429 3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.267 -7.349 5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.608 -8.729 4.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.511 -9.355 5.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.861 -9.579 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.500 -8.242 5.039 1.00 0.00 H new ATOM 1220 N CYS A 76 0.846 -8.074 -0.828 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.392 -8.506 -1.466 1.00 0.00 C ATOM 1222 C CYS A 76 -0.294 -9.963 -1.911 1.00 0.00 C ATOM 1223 O CYS A 76 0.756 -10.593 -1.782 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.709 -7.615 -2.668 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.735 -6.164 -2.267 1.00 0.00 S ATOM 0 H CYS A 76 1.679 -8.185 -1.406 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.197 -8.420 -0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.227 -7.274 -3.111 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.221 -8.211 -3.424 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.395 -10.491 -2.435 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.434 -11.873 -2.899 1.00 0.00 C ATOM 1232 C PHE A 77 -0.082 -12.295 -3.465 1.00 0.00 C ATOM 1233 O PHE A 77 0.643 -13.078 -2.851 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.522 -12.045 -3.961 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.870 -12.379 -3.390 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -4.213 -13.693 -3.110 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.795 -11.380 -3.134 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -5.453 -14.003 -2.584 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -6.037 -11.685 -2.608 1.00 0.00 C ATOM 1240 CZ PHE A 77 -6.366 -12.998 -2.334 1.00 0.00 C ATOM 0 H PHE A 77 -2.272 -9.983 -2.549 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.665 -12.511 -2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.600 -11.126 -4.542 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.223 -12.834 -4.651 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.503 -14.483 -3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.543 -10.352 -3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.707 -15.030 -2.369 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.749 -10.897 -2.412 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.336 -13.238 -1.925 1.00 0.00 H new ATOM 1250 N ASP A 78 0.250 -11.771 -4.640 1.00 0.00 N ATOM 1251 CA ASP A 78 1.515 -12.093 -5.290 1.00 0.00 C ATOM 1252 C ASP A 78 2.349 -10.834 -5.508 1.00 0.00 C ATOM 1253 O ASP A 78 3.579 -10.878 -5.478 1.00 0.00 O ATOM 1254 CB ASP A 78 1.262 -12.789 -6.628 1.00 0.00 C ATOM 1255 CG ASP A 78 0.972 -14.269 -6.465 1.00 0.00 C ATOM 1256 OD1 ASP A 78 1.643 -14.916 -5.635 1.00 0.00 O ATOM 1257 OD2 ASP A 78 0.074 -14.779 -7.168 1.00 0.00 O ATOM 0 H ASP A 78 -0.339 -11.122 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 78 2.070 -12.767 -4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.421 -12.310 -7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.133 -12.661 -7.271 1.00 0.00 H new ATOM 1262 N LYS A 79 1.672 -9.712 -5.729 1.00 0.00 N ATOM 1263 CA LYS A 79 2.349 -8.441 -5.951 1.00 0.00 C ATOM 1264 C LYS A 79 2.747 -7.796 -4.627 1.00 0.00 C ATOM 1265 O LYS A 79 2.280 -8.202 -3.562 1.00 0.00 O ATOM 1266 CB LYS A 79 1.447 -7.490 -6.742 1.00 0.00 C ATOM 1267 CG LYS A 79 1.377 -7.812 -8.225 1.00 0.00 C ATOM 1268 CD LYS A 79 2.418 -7.035 -9.014 1.00 0.00 C ATOM 1269 CE LYS A 79 3.662 -7.871 -9.271 1.00 0.00 C ATOM 1270 NZ LYS A 79 3.483 -8.792 -10.427 1.00 0.00 N ATOM 0 H LYS A 79 0.654 -9.658 -5.759 1.00 0.00 H new ATOM 0 HA LYS A 79 3.254 -8.637 -6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.441 -7.524 -6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.810 -6.470 -6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.530 -8.881 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.382 -7.576 -8.603 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.991 -6.715 -9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.692 -6.133 -8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.510 -7.212 -9.460 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.901 -8.450 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.353 -9.344 -10.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.690 -9.438 -10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.280 -8.238 -11.284 1.00 0.00 H new ATOM 1284 N THR A 80 3.611 -6.789 -4.700 1.00 0.00 N ATOM 1285 CA THR A 80 4.071 -6.089 -3.507 1.00 0.00 C ATOM 1286 C THR A 80 4.219 -4.594 -3.770 1.00 0.00 C ATOM 1287 O THR A 80 4.303 -4.161 -4.919 1.00 0.00 O ATOM 1288 CB THR A 80 5.418 -6.647 -3.012 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.364 -6.671 -4.087 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.248 -8.050 -2.448 1.00 0.00 C ATOM 0 H THR A 80 4.007 -6.440 -5.573 1.00 0.00 H new ATOM 0 HA THR A 80 3.316 -6.247 -2.737 1.00 0.00 H new ATOM 0 HB THR A 80 5.786 -5.996 -2.219 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.218 -7.026 -3.763 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.213 -8.423 -2.105 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.550 -8.024 -1.611 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.859 -8.709 -3.224 1.00 0.00 H new ATOM 1298 N PHE A 81 4.251 -3.810 -2.698 1.00 0.00 N ATOM 1299 CA PHE A 81 4.389 -2.363 -2.813 1.00 0.00 C ATOM 1300 C PHE A 81 5.127 -1.789 -1.606 1.00 0.00 C ATOM 1301 O PHE A 81 4.745 -2.028 -0.462 1.00 0.00 O ATOM 1302 CB PHE A 81 3.012 -1.707 -2.942 1.00 0.00 C ATOM 1303 CG PHE A 81 2.332 -1.994 -4.250 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.632 -3.175 -4.437 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.392 -1.083 -5.292 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.004 -3.443 -5.639 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.766 -1.345 -6.496 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.073 -2.527 -6.670 1.00 0.00 C ATOM 0 H PHE A 81 4.183 -4.152 -1.740 1.00 0.00 H new ATOM 0 HA PHE A 81 4.972 -2.149 -3.709 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.376 -2.053 -2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.120 -0.629 -2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.576 -3.895 -3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.934 -0.158 -5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.461 -4.367 -5.771 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.819 -0.626 -7.300 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.586 -2.735 -7.611 1.00 0.00 H new ATOM 1318 N GLU A 82 6.186 -1.032 -1.874 1.00 0.00 N ATOM 1319 CA GLU A 82 6.978 -0.425 -0.810 1.00 0.00 C ATOM 1320 C GLU A 82 6.851 1.095 -0.836 1.00 0.00 C ATOM 1321 O GLU A 82 7.177 1.739 -1.834 1.00 0.00 O ATOM 1322 CB GLU A 82 8.448 -0.827 -0.947 1.00 0.00 C ATOM 1323 CG GLU A 82 9.251 -0.644 0.330 1.00 0.00 C ATOM 1324 CD GLU A 82 10.607 -1.318 0.269 1.00 0.00 C ATOM 1325 OE1 GLU A 82 10.761 -2.272 -0.522 1.00 0.00 O ATOM 1326 OE2 GLU A 82 11.516 -0.891 1.012 1.00 0.00 O ATOM 0 H GLU A 82 6.515 -0.824 -2.817 1.00 0.00 H new ATOM 0 HA GLU A 82 6.596 -0.788 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.503 -1.871 -1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.905 -0.237 -1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.387 0.421 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.686 -1.048 1.170 1.00 0.00 H new ATOM 1333 N ILE A 83 6.373 1.662 0.267 1.00 0.00 N ATOM 1334 CA ILE A 83 6.203 3.105 0.371 1.00 0.00 C ATOM 1335 C ILE A 83 6.973 3.665 1.562 1.00 0.00 C ATOM 1336 O ILE A 83 7.239 2.955 2.532 1.00 0.00 O ATOM 1337 CB ILE A 83 4.718 3.488 0.509 1.00 0.00 C ATOM 1338 CG1 ILE A 83 3.913 2.928 -0.666 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.566 5.000 0.589 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.454 2.696 -0.342 1.00 0.00 C ATOM 0 H ILE A 83 6.097 1.143 1.101 1.00 0.00 H new ATOM 0 HA ILE A 83 6.598 3.536 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 83 4.330 3.054 1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.985 3.618 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.360 1.987 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.511 5.255 0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.111 5.375 1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.967 5.454 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.945 2.299 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.372 1.983 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.992 3.639 -0.050 1.00 0.00 H new ATOM 1352 N SER A 84 7.329 4.944 1.482 1.00 0.00 N ATOM 1353 CA SER A 84 8.070 5.599 2.553 1.00 0.00 C ATOM 1354 C SER A 84 7.331 6.840 3.045 1.00 0.00 C ATOM 1355 O SER A 84 6.839 7.639 2.249 1.00 0.00 O ATOM 1356 CB SER A 84 9.470 5.984 2.070 1.00 0.00 C ATOM 1357 OG SER A 84 10.213 6.605 3.105 1.00 0.00 O ATOM 0 H SER A 84 7.116 5.546 0.687 1.00 0.00 H new ATOM 0 HA SER A 84 8.159 4.897 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.996 5.094 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.391 6.660 1.218 1.00 0.00 H new ATOM 0 HG SER A 84 10.604 7.439 2.772 1.00 0.00 H new ATOM 1363 N ALA A 85 7.258 6.993 4.363 1.00 0.00 N ATOM 1364 CA ALA A 85 6.581 8.136 4.963 1.00 0.00 C ATOM 1365 C ALA A 85 7.584 9.188 5.425 1.00 0.00 C ATOM 1366 O ALA A 85 8.740 8.874 5.711 1.00 0.00 O ATOM 1367 CB ALA A 85 5.713 7.684 6.128 1.00 0.00 C ATOM 0 H ALA A 85 7.659 6.340 5.036 1.00 0.00 H new ATOM 0 HA ALA A 85 5.943 8.589 4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.214 8.548 6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.966 6.975 5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.337 7.204 6.882 1.00 0.00 H new ATOM 1373 N SER A 86 7.136 10.437 5.494 1.00 0.00 N ATOM 1374 CA SER A 86 7.996 11.536 5.917 1.00 0.00 C ATOM 1375 C SER A 86 8.184 11.527 7.431 1.00 0.00 C ATOM 1376 O SER A 86 9.291 11.320 7.929 1.00 0.00 O ATOM 1377 CB SER A 86 7.404 12.875 5.473 1.00 0.00 C ATOM 1378 OG SER A 86 8.419 13.847 5.295 1.00 0.00 O ATOM 0 H SER A 86 6.182 10.714 5.262 1.00 0.00 H new ATOM 0 HA SER A 86 8.970 11.404 5.447 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.856 12.742 4.540 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.688 13.224 6.217 1.00 0.00 H new ATOM 0 HG SER A 86 8.015 14.693 5.010 1.00 0.00 H new ATOM 1384 N ASP A 87 7.095 11.752 8.158 1.00 0.00 N ATOM 1385 CA ASP A 87 7.138 11.769 9.615 1.00 0.00 C ATOM 1386 C ASP A 87 6.321 10.619 10.196 1.00 0.00 C ATOM 1387 O ASP A 87 5.454 10.057 9.526 1.00 0.00 O ATOM 1388 CB ASP A 87 6.612 13.103 10.147 1.00 0.00 C ATOM 1389 CG ASP A 87 7.255 13.496 11.462 1.00 0.00 C ATOM 1390 OD1 ASP A 87 7.628 12.588 12.235 1.00 0.00 O ATOM 1391 OD2 ASP A 87 7.386 14.711 11.719 1.00 0.00 O ATOM 0 H ASP A 87 6.171 11.925 7.762 1.00 0.00 H new ATOM 0 HA ASP A 87 8.176 11.647 9.924 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.796 13.883 9.408 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.532 13.038 10.279 1.00 0.00 H new ATOM 1396 N LYS A 88 6.605 10.271 11.447 1.00 0.00 N ATOM 1397 CA LYS A 88 5.898 9.188 12.120 1.00 0.00 C ATOM 1398 C LYS A 88 4.389 9.341 11.959 1.00 0.00 C ATOM 1399 O LYS A 88 3.666 8.355 11.814 1.00 0.00 O ATOM 1400 CB LYS A 88 6.263 9.159 13.606 1.00 0.00 C ATOM 1401 CG LYS A 88 5.857 10.416 14.356 1.00 0.00 C ATOM 1402 CD LYS A 88 5.801 10.177 15.856 1.00 0.00 C ATOM 1403 CE LYS A 88 7.194 10.117 16.464 1.00 0.00 C ATOM 1404 NZ LYS A 88 7.173 9.562 17.845 1.00 0.00 N ATOM 0 H LYS A 88 7.321 10.724 12.015 1.00 0.00 H new ATOM 0 HA LYS A 88 6.201 8.248 11.659 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.785 8.297 14.072 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.339 9.019 13.705 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.567 11.215 14.140 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.882 10.752 14.004 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.230 10.974 16.331 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.275 9.244 16.057 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.838 9.502 15.835 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.626 11.118 16.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.141 9.538 18.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.579 10.162 18.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.784 8.597 17.826 1.00 0.00 H new ATOM 1418 N LYS A 89 3.918 10.584 11.985 1.00 0.00 N ATOM 1419 CA LYS A 89 2.496 10.867 11.839 1.00 0.00 C ATOM 1420 C LYS A 89 1.941 10.228 10.569 1.00 0.00 C ATOM 1421 O LYS A 89 1.090 9.341 10.629 1.00 0.00 O ATOM 1422 CB LYS A 89 2.256 12.378 11.809 1.00 0.00 C ATOM 1423 CG LYS A 89 0.905 12.790 12.368 1.00 0.00 C ATOM 1424 CD LYS A 89 0.771 14.302 12.444 1.00 0.00 C ATOM 1425 CE LYS A 89 -0.651 14.719 12.787 1.00 0.00 C ATOM 1426 NZ LYS A 89 -0.702 16.087 13.374 1.00 0.00 N ATOM 0 H LYS A 89 4.502 11.412 12.106 1.00 0.00 H new ATOM 0 HA LYS A 89 1.976 10.440 12.697 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.042 12.874 12.379 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.337 12.730 10.781 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.111 12.385 11.740 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.775 12.362 13.362 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.457 14.692 13.196 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.060 14.742 11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.266 14.687 11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.079 14.005 13.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.688 16.334 13.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.136 16.112 14.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.317 16.772 12.692 1.00 0.00 H new ATOM 1440 N LYS A 90 2.430 10.684 9.421 1.00 0.00 N ATOM 1441 CA LYS A 90 1.986 10.156 8.136 1.00 0.00 C ATOM 1442 C LYS A 90 2.106 8.636 8.102 1.00 0.00 C ATOM 1443 O LYS A 90 1.161 7.936 7.737 1.00 0.00 O ATOM 1444 CB LYS A 90 2.807 10.769 6.999 1.00 0.00 C ATOM 1445 CG LYS A 90 2.213 12.051 6.443 1.00 0.00 C ATOM 1446 CD LYS A 90 3.292 12.982 5.915 1.00 0.00 C ATOM 1447 CE LYS A 90 3.938 13.779 7.038 1.00 0.00 C ATOM 1448 NZ LYS A 90 3.182 15.026 7.341 1.00 0.00 N ATOM 0 H LYS A 90 3.134 11.419 9.354 1.00 0.00 H new ATOM 0 HA LYS A 90 0.937 10.423 8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.816 10.972 7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.897 10.041 6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.514 11.812 5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.644 12.557 7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.053 12.401 5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.859 13.665 5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.995 13.162 7.935 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.961 14.033 6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.655 15.540 8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.149 15.627 6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.213 14.783 7.631 1.00 0.00 H new ATOM 1462 N LYS A 91 3.273 8.130 8.486 1.00 0.00 N ATOM 1463 CA LYS A 91 3.516 6.693 8.502 1.00 0.00 C ATOM 1464 C LYS A 91 2.383 5.957 9.209 1.00 0.00 C ATOM 1465 O LYS A 91 1.749 5.074 8.632 1.00 0.00 O ATOM 1466 CB LYS A 91 4.847 6.388 9.194 1.00 0.00 C ATOM 1467 CG LYS A 91 5.137 4.903 9.327 1.00 0.00 C ATOM 1468 CD LYS A 91 4.413 4.298 10.518 1.00 0.00 C ATOM 1469 CE LYS A 91 5.183 3.122 11.100 1.00 0.00 C ATOM 1470 NZ LYS A 91 4.642 2.706 12.424 1.00 0.00 N ATOM 0 H LYS A 91 4.066 8.695 8.791 1.00 0.00 H new ATOM 0 HA LYS A 91 3.562 6.346 7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.655 6.859 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.843 6.839 10.186 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.833 4.389 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.211 4.749 9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.274 5.059 11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.420 3.969 10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.138 2.281 10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.234 3.392 11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.193 1.902 12.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.708 3.501 13.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.647 2.424 12.319 1.00 0.00 H new ATOM 1484 N GLN A 92 2.133 6.328 10.461 1.00 0.00 N ATOM 1485 CA GLN A 92 1.075 5.703 11.246 1.00 0.00 C ATOM 1486 C GLN A 92 -0.284 5.899 10.581 1.00 0.00 C ATOM 1487 O GLN A 92 -0.915 4.938 10.144 1.00 0.00 O ATOM 1488 CB GLN A 92 1.052 6.282 12.662 1.00 0.00 C ATOM 1489 CG GLN A 92 -0.116 5.790 13.501 1.00 0.00 C ATOM 1490 CD GLN A 92 -0.109 6.362 14.904 1.00 0.00 C ATOM 1491 OE1 GLN A 92 -0.532 7.498 15.126 1.00 0.00 O ATOM 1492 NE2 GLN A 92 0.373 5.578 15.862 1.00 0.00 N ATOM 0 H GLN A 92 2.648 7.058 10.953 1.00 0.00 H new ATOM 0 HA GLN A 92 1.281 4.634 11.302 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.984 6.026 13.166 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.012 7.370 12.600 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.051 6.058 13.008 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.086 4.702 13.556 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.713 4.644 15.634 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.403 5.910 16.826 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.727 7.150 10.510 1.00 0.00 N ATOM 1502 CA GLU A 93 -2.012 7.471 9.900 1.00 0.00 C ATOM 1503 C GLU A 93 -2.234 6.648 8.634 1.00 0.00 C ATOM 1504 O GLU A 93 -3.297 6.058 8.444 1.00 0.00 O ATOM 1505 CB GLU A 93 -2.087 8.964 9.570 1.00 0.00 C ATOM 1506 CG GLU A 93 -2.185 9.854 10.797 1.00 0.00 C ATOM 1507 CD GLU A 93 -2.008 11.323 10.467 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -1.142 11.644 9.627 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -2.738 12.153 11.050 1.00 0.00 O ATOM 0 H GLU A 93 -0.216 7.957 10.867 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.796 7.224 10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.204 9.246 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.952 9.143 8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.155 9.706 11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.427 9.554 11.520 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.223 6.614 7.773 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.308 5.863 6.525 1.00 0.00 C ATOM 1518 C TRP A 94 -1.477 4.373 6.797 1.00 0.00 C ATOM 1519 O TRP A 94 -2.488 3.776 6.425 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.056 6.101 5.678 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.191 7.254 4.730 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.307 8.514 4.896 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.870 7.251 3.469 1.00 0.00 C ATOM 1524 NE1 TRP A 94 -0.022 9.296 3.814 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.743 8.544 2.925 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.572 6.282 2.746 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.293 8.890 1.693 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -2.117 6.628 1.524 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.974 7.922 1.007 1.00 0.00 C ATOM 0 H TRP A 94 -0.336 7.097 7.916 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.182 6.214 5.977 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.792 6.280 6.339 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.167 5.198 5.111 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.876 8.848 5.751 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.230 10.277 3.693 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.686 5.281 3.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.186 9.888 1.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.663 5.888 0.958 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.410 8.160 0.048 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.483 3.777 7.446 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.525 2.356 7.768 1.00 0.00 C ATOM 1542 C ILE A 95 -1.863 1.972 8.390 1.00 0.00 C ATOM 1543 O ILE A 95 -2.565 1.098 7.882 1.00 0.00 O ATOM 1544 CB ILE A 95 0.608 1.964 8.735 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.962 2.039 8.026 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.372 0.568 9.290 1.00 0.00 C ATOM 1547 CD1 ILE A 95 3.101 1.462 8.836 1.00 0.00 C ATOM 0 H ILE A 95 0.361 4.256 7.759 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.395 1.817 6.830 1.00 0.00 H new ATOM 0 HB ILE A 95 0.615 2.668 9.567 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.896 1.507 7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.184 3.080 7.793 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.181 0.306 9.972 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.576 0.545 9.827 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.342 -0.149 8.470 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.029 1.549 8.272 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.194 2.009 9.774 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.902 0.411 9.047 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.210 2.633 9.489 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.466 2.361 10.179 1.00 0.00 C ATOM 1561 C GLN A 96 -4.651 2.504 9.229 1.00 0.00 C ATOM 1562 O GLN A 96 -5.494 1.613 9.135 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.634 3.307 11.369 1.00 0.00 C ATOM 1564 CG GLN A 96 -2.751 2.955 12.555 1.00 0.00 C ATOM 1565 CD GLN A 96 -2.990 3.859 13.749 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -3.498 4.971 13.608 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -2.624 3.383 14.934 1.00 0.00 N ATOM 0 H GLN A 96 -1.640 3.360 9.921 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.437 1.334 10.542 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.409 4.324 11.048 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.677 3.296 11.687 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.934 1.920 12.845 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.705 3.022 12.257 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.206 2.455 15.004 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.761 3.945 15.774 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.708 3.632 8.528 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.789 3.891 7.585 1.00 0.00 C ATOM 1578 C ALA A 97 -5.950 2.734 6.604 1.00 0.00 C ATOM 1579 O ALA A 97 -7.059 2.247 6.382 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.534 5.190 6.835 1.00 0.00 C ATOM 0 H ALA A 97 -4.018 4.381 8.595 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.717 3.986 8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.349 5.371 6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.476 6.015 7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.594 5.116 6.288 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.838 2.300 6.021 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.858 1.200 5.064 1.00 0.00 C ATOM 1588 C ILE A 98 -5.282 -0.103 5.733 1.00 0.00 C ATOM 1589 O ILE A 98 -6.157 -0.812 5.235 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.479 1.002 4.407 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -3.016 2.298 3.739 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.534 -0.132 3.394 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.513 2.461 3.712 1.00 0.00 C ATOM 0 H ILE A 98 -3.913 2.693 6.194 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.584 1.463 4.295 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.759 0.738 5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.395 2.326 2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.456 3.145 4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.552 -0.260 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.824 -1.055 3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.265 0.106 2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.258 3.402 3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.129 2.466 4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.067 1.633 3.160 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.658 -0.411 6.865 1.00 0.00 N ATOM 1606 CA HIS A 99 -4.973 -1.629 7.604 1.00 0.00 C ATOM 1607 C HIS A 99 -6.481 -1.783 7.779 1.00 0.00 C ATOM 1608 O HIS A 99 -7.064 -2.784 7.363 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.288 -1.612 8.971 1.00 0.00 C ATOM 1610 CG HIS A 99 -4.021 -2.978 9.524 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -2.924 -3.272 10.306 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.718 -4.132 9.406 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -2.956 -4.549 10.643 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -4.035 -5.094 10.110 1.00 0.00 N ATOM 0 H HIS A 99 -3.932 0.165 7.291 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.603 -2.479 7.031 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.345 -1.071 8.889 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.912 -1.060 9.674 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.639 -4.271 8.860 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.224 -5.060 11.251 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.315 -6.070 10.206 1.00 0.00 H new ATOM 1623 N SER A 100 -7.105 -0.786 8.399 1.00 0.00 N ATOM 1624 CA SER A 100 -8.544 -0.814 8.633 1.00 0.00 C ATOM 1625 C SER A 100 -9.304 -0.989 7.322 1.00 0.00 C ATOM 1626 O SER A 100 -10.240 -1.785 7.234 1.00 0.00 O ATOM 1627 CB SER A 100 -8.993 0.473 9.329 1.00 0.00 C ATOM 1628 OG SER A 100 -10.405 0.592 9.318 1.00 0.00 O ATOM 0 H SER A 100 -6.637 0.050 8.748 1.00 0.00 H new ATOM 0 HA SER A 100 -8.767 -1.664 9.278 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.632 0.479 10.358 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.548 1.334 8.830 1.00 0.00 H new ATOM 0 HG SER A 100 -10.667 1.421 9.770 1.00 0.00 H new ATOM 1634 N THR A 101 -8.896 -0.238 6.303 1.00 0.00 N ATOM 1635 CA THR A 101 -9.538 -0.308 4.997 1.00 0.00 C ATOM 1636 C THR A 101 -9.717 -1.754 4.549 1.00 0.00 C ATOM 1637 O THR A 101 -10.753 -2.117 3.992 1.00 0.00 O ATOM 1638 CB THR A 101 -8.726 0.451 3.931 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.727 1.853 4.221 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.303 0.215 2.543 1.00 0.00 C ATOM 0 H THR A 101 -8.123 0.426 6.358 1.00 0.00 H new ATOM 0 HA THR A 101 -10.516 0.161 5.100 1.00 0.00 H new ATOM 0 HB THR A 101 -7.702 0.077 3.951 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.131 2.031 4.978 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.714 0.761 1.806 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.275 -0.850 2.313 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.335 0.565 2.514 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.702 -2.575 4.796 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.749 -3.983 4.420 1.00 0.00 C ATOM 1650 C ILE A 102 -9.660 -4.772 5.354 1.00 0.00 C ATOM 1651 O ILE A 102 -10.479 -5.576 4.908 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.346 -4.616 4.433 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.420 -3.877 3.465 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.428 -6.092 4.073 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.964 -3.913 3.874 1.00 0.00 C ATOM 0 H ILE A 102 -7.837 -2.290 5.255 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.148 -4.026 3.407 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.934 -4.529 5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.521 -4.316 2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.742 -2.838 3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.428 -6.526 4.086 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.057 -6.609 4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.857 -6.200 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.367 -3.369 3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.849 -3.448 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.625 -4.948 3.922 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.512 -4.536 6.654 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.323 -5.223 7.653 1.00 0.00 C ATOM 1669 C HIS A 103 -11.790 -5.252 7.235 1.00 0.00 C ATOM 1670 O HIS A 103 -12.434 -6.302 7.264 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.181 -4.539 9.013 1.00 0.00 C ATOM 1672 CG HIS A 103 -11.075 -5.115 10.069 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.418 -5.281 10.098 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -10.604 -5.600 11.271 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -12.731 -5.858 11.304 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -11.618 -6.041 11.993 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.838 -3.875 7.040 1.00 0.00 H new ATOM 0 HA HIS A 103 -9.966 -6.250 7.732 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.145 -4.617 9.343 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.401 -3.477 8.901 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.568 -5.617 11.574 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -13.725 -6.120 11.636 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.553 -6.453 12.924 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.313 -4.094 6.849 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.705 -3.986 6.425 1.00 0.00 C ATOM 1687 C LEU A 104 -14.048 -5.064 5.402 1.00 0.00 C ATOM 1688 O LEU A 104 -15.159 -5.596 5.394 1.00 0.00 O ATOM 1689 CB LEU A 104 -13.973 -2.601 5.833 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.556 -1.410 6.696 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.721 -0.109 5.926 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.364 -1.376 7.984 1.00 0.00 C ATOM 0 H LEU A 104 -11.794 -3.216 6.821 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.338 -4.128 7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.455 -2.530 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -15.040 -2.517 5.625 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.503 -1.524 6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.419 0.728 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.097 -0.133 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.765 0.013 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.054 -0.522 8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.424 -1.287 7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.194 -2.295 8.544 1.00 0.00 H new ATOM 1704 N LEU A 105 -13.087 -5.384 4.543 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.286 -6.401 3.516 1.00 0.00 C ATOM 1706 C LEU A 105 -13.252 -7.800 4.122 1.00 0.00 C ATOM 1707 O LEU A 105 -14.029 -8.675 3.739 1.00 0.00 O ATOM 1708 CB LEU A 105 -12.215 -6.276 2.432 1.00 0.00 C ATOM 1709 CG LEU A 105 -12.389 -5.121 1.445 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -11.097 -4.869 0.684 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -13.531 -5.410 0.482 1.00 0.00 C ATOM 0 H LEU A 105 -12.162 -4.954 4.537 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.267 -6.243 3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.245 -6.169 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -12.187 -7.208 1.868 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.635 -4.221 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.241 -4.044 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.304 -4.616 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.819 -5.767 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.640 -4.577 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -13.315 -6.322 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.457 -5.538 1.043 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.346 -8.006 5.073 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.212 -9.297 5.736 1.00 0.00 C ATOM 1725 C LYS A 106 -13.563 -9.792 6.242 1.00 0.00 C ATOM 1726 O LYS A 106 -13.884 -10.976 6.129 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.225 -9.195 6.901 1.00 0.00 C ATOM 1728 CG LYS A 106 -9.809 -8.854 6.470 1.00 0.00 C ATOM 1729 CD LYS A 106 -8.855 -8.835 7.653 1.00 0.00 C ATOM 1730 CE LYS A 106 -7.405 -8.916 7.202 1.00 0.00 C ATOM 1731 NZ LYS A 106 -6.459 -8.714 8.334 1.00 0.00 N ATOM 0 H LYS A 106 -11.694 -7.294 5.401 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.832 -10.014 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.577 -8.435 7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.214 -10.142 7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.466 -9.583 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.801 -7.881 5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.007 -7.923 8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.078 -9.672 8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.221 -9.888 6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.221 -8.163 6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.481 -8.777 7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.617 -7.776 8.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.617 -9.448 9.054 1.00 0.00 H new ATOM 1745 N LEU A 107 -14.351 -8.880 6.800 1.00 0.00 N ATOM 1746 CA LEU A 107 -15.669 -9.224 7.322 1.00 0.00 C ATOM 1747 C LEU A 107 -16.449 -10.068 6.320 1.00 0.00 C ATOM 1748 O LEU A 107 -17.001 -11.111 6.667 1.00 0.00 O ATOM 1749 CB LEU A 107 -16.453 -7.954 7.657 1.00 0.00 C ATOM 1750 CG LEU A 107 -16.299 -7.427 9.084 1.00 0.00 C ATOM 1751 CD1 LEU A 107 -16.848 -8.430 10.087 1.00 0.00 C ATOM 1752 CD2 LEU A 107 -14.840 -7.116 9.383 1.00 0.00 C ATOM 0 H LEU A 107 -14.100 -7.897 6.903 1.00 0.00 H new ATOM 0 HA LEU A 107 -15.531 -9.809 8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.146 -7.169 6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.510 -8.145 7.474 1.00 0.00 H new ATOM 0 HG LEU A 107 -16.873 -6.504 9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -16.729 -8.037 11.097 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -17.905 -8.603 9.887 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.303 -9.370 9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -14.749 -6.742 10.403 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -14.245 -8.023 9.275 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -14.479 -6.360 8.686 1.00 0.00 H new ATOM 1764 N GLY A 108 -16.489 -9.609 5.072 1.00 0.00 N ATOM 1765 CA GLY A 108 -17.202 -10.335 4.037 1.00 0.00 C ATOM 1766 C GLY A 108 -16.416 -11.521 3.514 1.00 0.00 C ATOM 1767 O GLY A 108 -15.191 -11.463 3.406 1.00 0.00 O ATOM 0 H GLY A 108 -16.040 -8.748 4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -18.157 -10.682 4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -17.426 -9.659 3.212 1.00 0.00 H new ATOM 1771 N SER A 109 -17.121 -12.600 3.190 1.00 0.00 N ATOM 1772 CA SER A 109 -16.481 -13.807 2.681 1.00 0.00 C ATOM 1773 C SER A 109 -16.940 -14.106 1.257 1.00 0.00 C ATOM 1774 O SER A 109 -18.038 -13.723 0.854 1.00 0.00 O ATOM 1775 CB SER A 109 -16.792 -14.997 3.590 1.00 0.00 C ATOM 1776 OG SER A 109 -18.100 -15.489 3.356 1.00 0.00 O ATOM 0 H SER A 109 -18.136 -12.663 3.271 1.00 0.00 H new ATOM 0 HA SER A 109 -15.404 -13.640 2.669 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.065 -15.791 3.417 1.00 0.00 H new ATOM 0 HB3 SER A 109 -16.694 -14.697 4.633 1.00 0.00 H new ATOM 0 HG SER A 109 -18.274 -16.250 3.948 1.00 0.00 H new ATOM 1782 N SER A 110 -16.091 -14.794 0.500 1.00 0.00 N ATOM 1783 CA SER A 110 -16.406 -15.142 -0.880 1.00 0.00 C ATOM 1784 C SER A 110 -16.303 -16.648 -1.097 1.00 0.00 C ATOM 1785 O SER A 110 -15.422 -17.307 -0.547 1.00 0.00 O ATOM 1786 CB SER A 110 -15.466 -14.411 -1.840 1.00 0.00 C ATOM 1787 OG SER A 110 -15.675 -14.832 -3.177 1.00 0.00 O ATOM 0 H SER A 110 -15.179 -15.121 0.820 1.00 0.00 H new ATOM 0 HA SER A 110 -17.432 -14.833 -1.082 1.00 0.00 H new ATOM 0 HB2 SER A 110 -15.628 -13.336 -1.764 1.00 0.00 H new ATOM 0 HB3 SER A 110 -14.431 -14.598 -1.554 1.00 0.00 H new ATOM 0 HG SER A 110 -15.064 -14.349 -3.771 1.00 0.00 H new ATOM 1793 N GLY A 111 -17.212 -17.187 -1.905 1.00 0.00 N ATOM 1794 CA GLY A 111 -17.206 -18.612 -2.182 1.00 0.00 C ATOM 1795 C GLY A 111 -18.328 -19.026 -3.114 1.00 0.00 C ATOM 1796 O GLY A 111 -19.477 -18.610 -2.959 1.00 0.00 O ATOM 0 H GLY A 111 -17.952 -16.663 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -16.249 -18.889 -2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -17.295 -19.162 -1.245 1.00 0.00 H new ATOM 1800 N PRO A 112 -17.999 -19.863 -4.108 1.00 0.00 N ATOM 1801 CA PRO A 112 -18.973 -20.350 -5.089 1.00 0.00 C ATOM 1802 C PRO A 112 -19.978 -21.319 -4.475 1.00 0.00 C ATOM 1803 O PRO A 112 -19.824 -21.745 -3.330 1.00 0.00 O ATOM 1804 CB PRO A 112 -18.105 -21.066 -6.126 1.00 0.00 C ATOM 1805 CG PRO A 112 -16.880 -21.470 -5.381 1.00 0.00 C ATOM 1806 CD PRO A 112 -16.649 -20.398 -4.352 1.00 0.00 C ATOM 0 HA PRO A 112 -19.574 -19.541 -5.503 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -18.619 -21.932 -6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -17.862 -20.408 -6.961 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -17.014 -22.443 -4.908 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -16.026 -21.557 -6.052 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -16.207 -20.803 -3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -15.972 -19.627 -4.720 1.00 0.00 H new ATOM 1814 N SER A 113 -21.007 -21.663 -5.243 1.00 0.00 N ATOM 1815 CA SER A 113 -22.039 -22.580 -4.773 1.00 0.00 C ATOM 1816 C SER A 113 -22.146 -23.794 -5.689 1.00 0.00 C ATOM 1817 O SER A 113 -21.646 -23.783 -6.814 1.00 0.00 O ATOM 1818 CB SER A 113 -23.389 -21.864 -4.696 1.00 0.00 C ATOM 1819 OG SER A 113 -24.222 -22.452 -3.711 1.00 0.00 O ATOM 0 H SER A 113 -21.148 -21.321 -6.193 1.00 0.00 H new ATOM 0 HA SER A 113 -21.760 -22.923 -3.777 1.00 0.00 H new ATOM 0 HB2 SER A 113 -23.233 -20.811 -4.463 1.00 0.00 H new ATOM 0 HB3 SER A 113 -23.883 -21.906 -5.667 1.00 0.00 H new ATOM 0 HG SER A 113 -25.078 -21.976 -3.680 1.00 0.00 H new ATOM 1825 N SER A 114 -22.801 -24.842 -5.200 1.00 0.00 N ATOM 1826 CA SER A 114 -22.970 -26.067 -5.972 1.00 0.00 C ATOM 1827 C SER A 114 -24.420 -26.231 -6.418 1.00 0.00 C ATOM 1828 O SER A 114 -25.291 -25.452 -6.036 1.00 0.00 O ATOM 1829 CB SER A 114 -22.538 -27.280 -5.146 1.00 0.00 C ATOM 1830 OG SER A 114 -21.126 -27.362 -5.060 1.00 0.00 O ATOM 0 H SER A 114 -23.224 -24.867 -4.272 1.00 0.00 H new ATOM 0 HA SER A 114 -22.340 -25.998 -6.859 1.00 0.00 H new ATOM 0 HB2 SER A 114 -22.963 -27.212 -4.145 1.00 0.00 H new ATOM 0 HB3 SER A 114 -22.931 -28.190 -5.598 1.00 0.00 H new ATOM 0 HG SER A 114 -20.876 -28.144 -4.526 1.00 0.00 H new ATOM 1836 N GLY A 115 -24.670 -27.254 -7.231 1.00 0.00 N ATOM 1837 CA GLY A 115 -26.015 -27.503 -7.717 1.00 0.00 C ATOM 1838 C GLY A 115 -27.068 -27.278 -6.650 1.00 0.00 C ATOM 1839 O GLY A 115 -27.343 -28.167 -5.844 1.00 0.00 O ATOM 0 H GLY A 115 -23.966 -27.914 -7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -26.218 -26.851 -8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -26.083 -28.529 -8.080 1.00 0.00 H new TER 1843 GLY A 115