USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 799 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 68 LYS NZ :NH3+ -129:sc= 0.546 (180deg=-1.73!) USER MOD Set 1.2: A 84 SER OG : rot -83:sc= 1.25 USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= 0.188 USER MOD Set 2.2: A 41 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 17 LYS NZ :NH3+ -152:sc= -0.147 (180deg=-0.56) USER MOD Set 3.2: A 65 LYS NZ :NH3+ -146:sc= -0.511 (180deg=-3.19!) USER MOD Single : A 10 LYS NZ :NH3+ -137:sc= -0.0404 (180deg=-3.04!) USER MOD Single : A 11 GLN : amide:sc= -0.0724 X(o=-0.072,f=0) USER MOD Single : A 14 MET CE :methyl 169:sc= -1.5 (180deg=-1.96!) USER MOD Single : A 15 MET CE :methyl -147:sc= -3.82! (180deg=-6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.27 K(o=-1.3,f=-6.6!) USER MOD Single : A 37 SER OG : rot -136:sc= 1.13 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= -0.272 (180deg=-1.03) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -1.18 F(o=-1.8,f=-1.2) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 39:sc= 0.23 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 162:sc= -1.56 USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= -0.101 (180deg=-0.572) USER MOD Single : A 79 LYS NZ :NH3+ -114:sc= 0.834 (180deg=-0.0321) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 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+ -165:sc=-0.00797 (180deg=-0.15) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= -0.0878 (180deg=-0.389) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.415 K(o=-0.42,f=-1.3) USER MOD Single : A 99 HIS : no HD1:sc=-0.000625 X(o=-0.00062,f=0) USER MOD Single : A 100 SER OG : rot 72:sc= 0.323 USER MOD Single : A 101 THR OG1 : rot 70:sc= 0.33 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.641 F(o=-1.9!,f=-0.64) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -11.984 8.689 -2.012 1.00 0.00 N ATOM 67 CA VAL A 8 -10.644 9.042 -1.560 1.00 0.00 C ATOM 68 C VAL A 8 -10.600 9.202 -0.044 1.00 0.00 C ATOM 69 O VAL A 8 -11.035 10.220 0.496 1.00 0.00 O ATOM 70 CB VAL A 8 -10.155 10.346 -2.217 1.00 0.00 C ATOM 71 CG1 VAL A 8 -8.792 10.742 -1.669 1.00 0.00 C ATOM 72 CG2 VAL A 8 -10.106 10.193 -3.730 1.00 0.00 C ATOM 0 HA VAL A 8 -9.985 8.226 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.861 11.141 -1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.463 11.666 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.863 10.894 -0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.072 9.950 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.758 11.124 -4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.422 9.386 -3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.103 9.960 -4.105 1.00 0.00 H new ATOM 82 N LEU A 9 -10.072 8.192 0.637 1.00 0.00 N ATOM 83 CA LEU A 9 -9.970 8.220 2.092 1.00 0.00 C ATOM 84 C LEU A 9 -8.782 9.066 2.538 1.00 0.00 C ATOM 85 O LEU A 9 -8.930 9.992 3.336 1.00 0.00 O ATOM 86 CB LEU A 9 -9.834 6.799 2.642 1.00 0.00 C ATOM 87 CG LEU A 9 -10.730 5.741 1.997 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.334 4.349 2.464 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.193 6.016 2.314 1.00 0.00 C ATOM 0 H LEU A 9 -9.708 7.343 0.205 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.881 8.669 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.796 6.485 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.046 6.823 3.711 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.598 5.790 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.983 3.609 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.299 4.153 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.436 4.286 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.816 5.253 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.342 5.995 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.471 6.997 1.929 1.00 0.00 H new ATOM 101 N LYS A 10 -7.603 8.744 2.017 1.00 0.00 N ATOM 102 CA LYS A 10 -6.389 9.476 2.358 1.00 0.00 C ATOM 103 C LYS A 10 -5.642 9.905 1.099 1.00 0.00 C ATOM 104 O LYS A 10 -5.818 9.319 0.032 1.00 0.00 O ATOM 105 CB LYS A 10 -5.479 8.614 3.235 1.00 0.00 C ATOM 106 CG LYS A 10 -4.656 9.414 4.230 1.00 0.00 C ATOM 107 CD LYS A 10 -3.632 8.543 4.936 1.00 0.00 C ATOM 108 CE LYS A 10 -3.358 9.038 6.348 1.00 0.00 C ATOM 109 NZ LYS A 10 -4.536 8.854 7.239 1.00 0.00 N ATOM 0 H LYS A 10 -7.462 7.980 1.356 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.676 10.370 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.089 7.893 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.806 8.044 2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.148 10.227 3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.317 9.870 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.991 7.515 4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.703 8.536 4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.503 8.502 6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.088 10.094 6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.667 9.705 7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.387 8.696 6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.379 8.032 7.857 1.00 0.00 H new ATOM 123 N GLN A 11 -4.807 10.931 1.234 1.00 0.00 N ATOM 124 CA GLN A 11 -4.033 11.438 0.107 1.00 0.00 C ATOM 125 C GLN A 11 -2.810 12.210 0.590 1.00 0.00 C ATOM 126 O GLN A 11 -2.928 13.153 1.372 1.00 0.00 O ATOM 127 CB GLN A 11 -4.903 12.336 -0.774 1.00 0.00 C ATOM 128 CG GLN A 11 -5.495 13.524 -0.034 1.00 0.00 C ATOM 129 CD GLN A 11 -6.713 14.098 -0.732 1.00 0.00 C ATOM 130 OE1 GLN A 11 -7.791 14.191 -0.146 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.546 14.486 -1.991 1.00 0.00 N ATOM 0 H GLN A 11 -4.650 11.427 2.111 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.693 10.585 -0.480 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.305 12.700 -1.610 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.713 11.741 -1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.770 13.218 0.976 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.737 14.301 0.064 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.634 14.390 -2.437 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.330 14.880 -2.512 1.00 0.00 H new ATOM 140 N GLY A 12 -1.635 11.804 0.119 1.00 0.00 N ATOM 141 CA GLY A 12 -0.407 12.469 0.515 1.00 0.00 C ATOM 142 C GLY A 12 0.771 12.077 -0.355 1.00 0.00 C ATOM 143 O GLY A 12 0.747 11.036 -1.012 1.00 0.00 O ATOM 0 H GLY A 12 -1.511 11.027 -0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.549 13.548 0.464 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.184 12.226 1.554 1.00 0.00 H new ATOM 147 N TYR A 13 1.803 12.913 -0.362 1.00 0.00 N ATOM 148 CA TYR A 13 2.994 12.650 -1.161 1.00 0.00 C ATOM 149 C TYR A 13 3.929 11.682 -0.444 1.00 0.00 C ATOM 150 O TYR A 13 4.570 12.037 0.545 1.00 0.00 O ATOM 151 CB TYR A 13 3.730 13.957 -1.463 1.00 0.00 C ATOM 152 CG TYR A 13 3.234 14.657 -2.708 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.187 13.995 -3.929 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.812 15.980 -2.664 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.735 14.631 -5.069 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.358 16.624 -3.799 1.00 0.00 C ATOM 157 CZ TYR A 13 2.322 15.945 -4.999 1.00 0.00 C ATOM 158 OH TYR A 13 1.870 16.582 -6.132 1.00 0.00 O ATOM 0 H TYR A 13 1.839 13.779 0.177 1.00 0.00 H new ATOM 0 HA TYR A 13 2.677 12.193 -2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.624 14.629 -0.612 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.794 13.748 -1.573 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.509 12.966 -3.988 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.839 16.515 -1.726 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.705 14.102 -6.010 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.033 17.653 -3.747 1.00 0.00 H new ATOM 0 HH TYR A 13 1.617 17.502 -5.911 1.00 0.00 H new ATOM 168 N MET A 14 4.002 10.455 -0.950 1.00 0.00 N ATOM 169 CA MET A 14 4.860 9.434 -0.360 1.00 0.00 C ATOM 170 C MET A 14 5.916 8.968 -1.357 1.00 0.00 C ATOM 171 O MET A 14 5.746 9.113 -2.567 1.00 0.00 O ATOM 172 CB MET A 14 4.022 8.242 0.108 1.00 0.00 C ATOM 173 CG MET A 14 2.884 8.627 1.039 1.00 0.00 C ATOM 174 SD MET A 14 2.333 7.253 2.068 1.00 0.00 S ATOM 175 CE MET A 14 1.449 6.263 0.865 1.00 0.00 C ATOM 0 H MET A 14 3.477 10.144 -1.767 1.00 0.00 H new ATOM 0 HA MET A 14 5.367 9.873 0.499 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.611 7.733 -0.764 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.671 7.529 0.617 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.205 9.449 1.679 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.044 8.993 0.448 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.216 5.289 1.296 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.523 6.768 0.588 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.069 6.129 -0.022 1.00 0.00 H new ATOM 185 N MET A 15 7.005 8.410 -0.840 1.00 0.00 N ATOM 186 CA MET A 15 8.088 7.922 -1.686 1.00 0.00 C ATOM 187 C MET A 15 8.051 6.401 -1.795 1.00 0.00 C ATOM 188 O MET A 15 8.282 5.693 -0.815 1.00 0.00 O ATOM 189 CB MET A 15 9.441 8.373 -1.131 1.00 0.00 C ATOM 190 CG MET A 15 9.798 9.806 -1.488 1.00 0.00 C ATOM 191 SD MET A 15 11.574 10.113 -1.437 1.00 0.00 S ATOM 192 CE MET A 15 11.992 9.969 -3.173 1.00 0.00 C ATOM 0 H MET A 15 7.161 8.284 0.160 1.00 0.00 H new ATOM 0 HA MET A 15 7.954 8.343 -2.683 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.432 8.269 -0.046 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.219 7.709 -1.508 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.423 10.032 -2.486 1.00 0.00 H new ATOM 0 HG3 MET A 15 9.296 10.484 -0.798 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.995 9.555 -3.273 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.277 9.310 -3.666 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.959 10.954 -3.638 1.00 0.00 H new ATOM 202 N LYS A 16 7.758 5.905 -2.992 1.00 0.00 N ATOM 203 CA LYS A 16 7.691 4.468 -3.230 1.00 0.00 C ATOM 204 C LYS A 16 9.017 3.944 -3.772 1.00 0.00 C ATOM 205 O LYS A 16 9.716 4.639 -4.510 1.00 0.00 O ATOM 206 CB LYS A 16 6.562 4.145 -4.212 1.00 0.00 C ATOM 207 CG LYS A 16 6.393 2.659 -4.476 1.00 0.00 C ATOM 208 CD LYS A 16 5.784 2.401 -5.844 1.00 0.00 C ATOM 209 CE LYS A 16 5.361 0.949 -6.001 1.00 0.00 C ATOM 210 NZ LYS A 16 6.532 0.030 -6.030 1.00 0.00 N ATOM 0 H LYS A 16 7.563 6.478 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 16 7.488 3.976 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.626 4.545 -3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.756 4.654 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.362 2.164 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.758 2.222 -3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.920 3.050 -5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.507 2.656 -6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.702 0.672 -5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.787 0.835 -6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.201 -0.950 -6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.148 0.278 -6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.066 0.119 -5.142 1.00 0.00 H new ATOM 224 N LYS A 17 9.356 2.713 -3.404 1.00 0.00 N ATOM 225 CA LYS A 17 10.597 2.094 -3.855 1.00 0.00 C ATOM 226 C LYS A 17 10.379 1.324 -5.154 1.00 0.00 C ATOM 227 O LYS A 17 9.664 0.323 -5.181 1.00 0.00 O ATOM 228 CB LYS A 17 11.143 1.155 -2.778 1.00 0.00 C ATOM 229 CG LYS A 17 12.658 1.036 -2.786 1.00 0.00 C ATOM 230 CD LYS A 17 13.155 0.164 -1.645 1.00 0.00 C ATOM 231 CE LYS A 17 14.548 0.576 -1.195 1.00 0.00 C ATOM 232 NZ LYS A 17 14.967 -0.142 0.040 1.00 0.00 N ATOM 0 H LYS A 17 8.789 2.124 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 17 11.323 2.885 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.820 1.511 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.708 0.165 -2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.986 0.615 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.102 2.028 -2.707 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.464 0.234 -0.805 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.167 -0.879 -1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.262 0.373 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.568 1.651 -1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.639 0.447 0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.132 -0.335 0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.423 -1.040 -0.218 1.00 0.00 H new ATOM 355 N TRP A 24 13.897 5.726 -5.008 1.00 0.00 N ATOM 356 CA TRP A 24 12.746 6.356 -4.370 1.00 0.00 C ATOM 357 C TRP A 24 12.268 7.558 -5.176 1.00 0.00 C ATOM 358 O TRP A 24 13.073 8.317 -5.716 1.00 0.00 O ATOM 359 CB TRP A 24 13.101 6.789 -2.946 1.00 0.00 C ATOM 360 CG TRP A 24 13.467 5.644 -2.051 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.724 5.189 -1.775 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.566 4.809 -1.316 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.659 4.121 -0.913 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.346 3.868 -0.616 1.00 0.00 C ATOM 365 CE3 TRP A 24 11.175 4.764 -1.180 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.781 2.897 0.206 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.616 3.799 -0.364 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.418 2.877 0.321 1.00 0.00 C ATOM 0 HA TRP A 24 11.938 5.625 -4.329 1.00 0.00 H new ATOM 0 HB2 TRP A 24 13.934 7.491 -2.984 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.254 7.322 -2.514 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.636 5.607 -2.175 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.459 3.601 -0.553 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.549 5.471 -1.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.397 2.184 0.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.543 3.755 -0.252 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.951 2.136 0.952 1.00 0.00 H new ATOM 379 N THR A 25 10.951 7.727 -5.254 1.00 0.00 N ATOM 380 CA THR A 25 10.366 8.837 -5.995 1.00 0.00 C ATOM 381 C THR A 25 9.026 9.252 -5.397 1.00 0.00 C ATOM 382 O THR A 25 8.197 8.406 -5.065 1.00 0.00 O ATOM 383 CB THR A 25 10.163 8.476 -7.479 1.00 0.00 C ATOM 384 OG1 THR A 25 9.400 7.269 -7.590 1.00 0.00 O ATOM 385 CG2 THR A 25 11.500 8.304 -8.182 1.00 0.00 C ATOM 0 H THR A 25 10.270 7.109 -4.813 1.00 0.00 H new ATOM 0 HA THR A 25 11.066 9.669 -5.923 1.00 0.00 H new ATOM 0 HB THR A 25 9.622 9.292 -7.958 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.274 7.048 -8.536 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.331 8.049 -9.228 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.065 9.234 -8.122 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.064 7.505 -7.701 1.00 0.00 H new ATOM 393 N GLU A 26 8.823 10.559 -5.263 1.00 0.00 N ATOM 394 CA GLU A 26 7.583 11.084 -4.703 1.00 0.00 C ATOM 395 C GLU A 26 6.414 10.848 -5.655 1.00 0.00 C ATOM 396 O GLU A 26 6.483 11.186 -6.836 1.00 0.00 O ATOM 397 CB GLU A 26 7.723 12.580 -4.412 1.00 0.00 C ATOM 398 CG GLU A 26 6.837 13.064 -3.277 1.00 0.00 C ATOM 399 CD GLU A 26 7.271 14.412 -2.732 1.00 0.00 C ATOM 400 OE1 GLU A 26 8.202 14.443 -1.901 1.00 0.00 O ATOM 401 OE2 GLU A 26 6.679 15.434 -3.137 1.00 0.00 O ATOM 0 H GLU A 26 9.500 11.272 -5.534 1.00 0.00 H new ATOM 0 HA GLU A 26 7.383 10.556 -3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.763 12.799 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.482 13.141 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.808 13.133 -3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.850 12.329 -2.472 1.00 0.00 H new ATOM 408 N ARG A 27 5.341 10.263 -5.131 1.00 0.00 N ATOM 409 CA ARG A 27 4.157 9.979 -5.933 1.00 0.00 C ATOM 410 C ARG A 27 2.889 10.113 -5.096 1.00 0.00 C ATOM 411 O ARG A 27 2.787 9.544 -4.009 1.00 0.00 O ATOM 412 CB ARG A 27 4.243 8.572 -6.526 1.00 0.00 C ATOM 413 CG ARG A 27 5.193 8.466 -7.708 1.00 0.00 C ATOM 414 CD ARG A 27 4.499 8.820 -9.014 1.00 0.00 C ATOM 415 NE ARG A 27 5.450 9.219 -10.049 1.00 0.00 N ATOM 416 CZ ARG A 27 6.313 8.384 -10.615 1.00 0.00 C ATOM 417 NH1 ARG A 27 6.345 7.110 -10.250 1.00 0.00 N ATOM 418 NH2 ARG A 27 7.147 8.823 -11.550 1.00 0.00 N ATOM 0 H ARG A 27 5.268 9.977 -4.155 1.00 0.00 H new ATOM 0 HA ARG A 27 4.115 10.706 -6.744 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.565 7.878 -5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.248 8.258 -6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.043 9.131 -7.554 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.589 7.452 -7.768 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.923 7.963 -9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.791 9.630 -8.840 1.00 0.00 H new ATOM 0 HE ARG A 27 5.451 10.193 -10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.705 6.769 -9.532 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.009 6.471 -10.687 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.125 9.802 -11.834 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.810 8.181 -11.984 1.00 0.00 H new ATOM 432 N TRP A 28 1.925 10.869 -5.609 1.00 0.00 N ATOM 433 CA TRP A 28 0.663 11.079 -4.909 1.00 0.00 C ATOM 434 C TRP A 28 -0.112 9.772 -4.780 1.00 0.00 C ATOM 435 O TRP A 28 -0.536 9.190 -5.779 1.00 0.00 O ATOM 436 CB TRP A 28 -0.185 12.119 -5.643 1.00 0.00 C ATOM 437 CG TRP A 28 -1.330 12.636 -4.825 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.659 12.409 -5.041 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.246 13.468 -3.663 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.407 13.050 -4.083 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.564 13.706 -3.226 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.187 14.034 -2.949 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -2.847 14.486 -2.107 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.469 14.808 -1.840 1.00 0.00 C ATOM 445 CH2 TRP A 28 -1.790 15.028 -1.427 1.00 0.00 C ATOM 0 H TRP A 28 1.993 11.347 -6.508 1.00 0.00 H new ATOM 0 HA TRP A 28 0.889 11.446 -3.908 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.450 12.955 -5.935 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.573 11.678 -6.561 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.063 11.813 -5.846 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.425 13.039 -4.020 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.834 13.869 -3.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.864 14.657 -1.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.342 15.251 -1.282 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.978 15.637 -0.555 1.00 0.00 H new ATOM 456 N PHE A 29 -0.293 9.315 -3.545 1.00 0.00 N ATOM 457 CA PHE A 29 -1.017 8.076 -3.287 1.00 0.00 C ATOM 458 C PHE A 29 -2.464 8.362 -2.897 1.00 0.00 C ATOM 459 O PHE A 29 -2.741 9.278 -2.123 1.00 0.00 O ATOM 460 CB PHE A 29 -0.326 7.279 -2.179 1.00 0.00 C ATOM 461 CG PHE A 29 0.738 6.348 -2.684 1.00 0.00 C ATOM 462 CD1 PHE A 29 2.028 6.804 -2.906 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.450 5.016 -2.938 1.00 0.00 C ATOM 464 CE1 PHE A 29 3.010 5.949 -3.371 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.428 4.158 -3.402 1.00 0.00 C ATOM 466 CZ PHE A 29 2.709 4.625 -3.620 1.00 0.00 C ATOM 0 H PHE A 29 0.052 9.784 -2.708 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.017 7.487 -4.204 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.119 7.974 -1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.075 6.702 -1.637 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.269 7.839 -2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.550 4.645 -2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.011 6.317 -3.539 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.191 3.122 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.474 3.956 -3.985 1.00 0.00 H new ATOM 476 N VAL A 30 -3.384 7.571 -3.440 1.00 0.00 N ATOM 477 CA VAL A 30 -4.803 7.738 -3.150 1.00 0.00 C ATOM 478 C VAL A 30 -5.388 6.477 -2.525 1.00 0.00 C ATOM 479 O VAL A 30 -5.694 5.509 -3.223 1.00 0.00 O ATOM 480 CB VAL A 30 -5.600 8.084 -4.422 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.092 8.110 -4.128 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.138 9.417 -4.993 1.00 0.00 C ATOM 0 H VAL A 30 -3.172 6.808 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.886 8.563 -2.443 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.415 7.310 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.638 8.356 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.409 7.131 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.300 8.861 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.711 9.646 -5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.292 10.203 -4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.079 9.358 -5.244 1.00 0.00 H new ATOM 492 N LEU A 31 -5.543 6.494 -1.206 1.00 0.00 N ATOM 493 CA LEU A 31 -6.092 5.351 -0.485 1.00 0.00 C ATOM 494 C LEU A 31 -7.606 5.275 -0.658 1.00 0.00 C ATOM 495 O LEU A 31 -8.359 5.916 0.075 1.00 0.00 O ATOM 496 CB LEU A 31 -5.741 5.443 1.001 1.00 0.00 C ATOM 497 CG LEU A 31 -6.551 4.547 1.939 1.00 0.00 C ATOM 498 CD1 LEU A 31 -6.382 3.084 1.557 1.00 0.00 C ATOM 499 CD2 LEU A 31 -6.134 4.774 3.385 1.00 0.00 C ATOM 0 H LEU A 31 -5.296 7.287 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.651 4.445 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.685 5.199 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.867 6.478 1.320 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.605 4.808 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.965 2.461 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.730 2.932 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.330 2.809 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.721 4.128 4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.075 4.541 3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.307 5.816 3.654 1.00 0.00 H new ATOM 511 N LYS A 32 -8.046 4.484 -1.631 1.00 0.00 N ATOM 512 CA LYS A 32 -9.470 4.320 -1.899 1.00 0.00 C ATOM 513 C LYS A 32 -10.113 3.392 -0.873 1.00 0.00 C ATOM 514 O LYS A 32 -9.437 2.646 -0.164 1.00 0.00 O ATOM 515 CB LYS A 32 -9.683 3.764 -3.309 1.00 0.00 C ATOM 516 CG LYS A 32 -9.796 4.839 -4.376 1.00 0.00 C ATOM 517 CD LYS A 32 -11.094 5.619 -4.246 1.00 0.00 C ATOM 518 CE LYS A 32 -11.098 6.847 -5.143 1.00 0.00 C ATOM 519 NZ LYS A 32 -11.248 6.485 -6.580 1.00 0.00 N ATOM 0 H LYS A 32 -7.437 3.946 -2.247 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.944 5.299 -1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.854 3.102 -3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.589 3.158 -3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.950 5.522 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.743 4.380 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.934 4.975 -4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.234 5.924 -3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.912 7.509 -4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.170 7.402 -5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.246 7.350 -7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.457 5.874 -6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.146 5.978 -6.718 1.00 0.00 H new ATOM 533 N PRO A 33 -11.451 3.437 -0.790 1.00 0.00 N ATOM 534 CA PRO A 33 -12.215 2.606 0.145 1.00 0.00 C ATOM 535 C PRO A 33 -12.190 1.130 -0.238 1.00 0.00 C ATOM 536 O PRO A 33 -12.340 0.256 0.614 1.00 0.00 O ATOM 537 CB PRO A 33 -13.637 3.163 0.035 1.00 0.00 C ATOM 538 CG PRO A 33 -13.701 3.773 -1.323 1.00 0.00 C ATOM 539 CD PRO A 33 -12.321 4.303 -1.604 1.00 0.00 C ATOM 0 HA PRO A 33 -11.804 2.645 1.154 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.381 2.375 0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.834 3.903 0.811 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.995 3.035 -2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.441 4.573 -1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.074 4.239 -2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.227 5.350 -1.318 1.00 0.00 H new ATOM 547 N ASN A 34 -11.999 0.861 -1.526 1.00 0.00 N ATOM 548 CA ASN A 34 -11.955 -0.510 -2.021 1.00 0.00 C ATOM 549 C ASN A 34 -10.790 -0.702 -2.988 1.00 0.00 C ATOM 550 O ASN A 34 -10.836 -1.562 -3.868 1.00 0.00 O ATOM 551 CB ASN A 34 -13.271 -0.867 -2.715 1.00 0.00 C ATOM 552 CG ASN A 34 -14.483 -0.470 -1.894 1.00 0.00 C ATOM 553 OD1 ASN A 34 -14.677 0.704 -1.580 1.00 0.00 O ATOM 554 ND2 ASN A 34 -15.306 -1.451 -1.541 1.00 0.00 N ATOM 0 H ASN A 34 -11.872 1.574 -2.245 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.810 -1.173 -1.168 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.314 -0.371 -3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.299 -1.940 -2.905 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.138 -1.245 -0.988 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.106 -2.411 -1.823 1.00 0.00 H new ATOM 561 N ILE A 35 -9.748 0.105 -2.817 1.00 0.00 N ATOM 562 CA ILE A 35 -8.571 0.023 -3.673 1.00 0.00 C ATOM 563 C ILE A 35 -7.525 1.057 -3.270 1.00 0.00 C ATOM 564 O ILE A 35 -7.734 1.836 -2.339 1.00 0.00 O ATOM 565 CB ILE A 35 -8.937 0.230 -5.155 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.900 -0.443 -6.057 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.040 1.714 -5.473 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.489 -1.031 -7.320 1.00 0.00 C ATOM 0 H ILE A 35 -9.695 0.823 -2.094 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.157 -0.977 -3.546 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.907 -0.230 -5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.137 0.287 -6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.401 -1.233 -5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.299 1.844 -6.524 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.812 2.167 -4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.083 2.196 -5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.697 -1.491 -7.911 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.232 -1.785 -7.058 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.963 -0.241 -7.902 1.00 0.00 H new ATOM 580 N ILE A 36 -6.401 1.060 -3.978 1.00 0.00 N ATOM 581 CA ILE A 36 -5.324 2.001 -3.696 1.00 0.00 C ATOM 582 C ILE A 36 -4.559 2.358 -4.966 1.00 0.00 C ATOM 583 O ILE A 36 -3.767 1.562 -5.470 1.00 0.00 O ATOM 584 CB ILE A 36 -4.337 1.432 -2.658 1.00 0.00 C ATOM 585 CG1 ILE A 36 -5.018 1.297 -1.295 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.106 2.321 -2.556 1.00 0.00 C ATOM 587 CD1 ILE A 36 -4.085 0.841 -0.196 1.00 0.00 C ATOM 0 H ILE A 36 -6.212 0.422 -4.751 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.788 2.900 -3.290 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.020 0.441 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.451 2.258 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.842 0.588 -1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.418 1.907 -1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.612 2.371 -3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.405 3.323 -2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.636 0.767 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.671 -0.135 -0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.274 1.561 -0.085 1.00 0.00 H new ATOM 599 N SER A 37 -4.800 3.561 -5.477 1.00 0.00 N ATOM 600 CA SER A 37 -4.135 4.024 -6.689 1.00 0.00 C ATOM 601 C SER A 37 -3.291 5.262 -6.407 1.00 0.00 C ATOM 602 O SER A 37 -3.641 6.087 -5.562 1.00 0.00 O ATOM 603 CB SER A 37 -5.168 4.333 -7.775 1.00 0.00 C ATOM 604 OG SER A 37 -5.996 3.211 -8.026 1.00 0.00 O ATOM 0 H SER A 37 -5.451 4.233 -5.070 1.00 0.00 H new ATOM 0 HA SER A 37 -3.476 3.229 -7.039 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.781 5.180 -7.467 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.658 4.625 -8.693 1.00 0.00 H new ATOM 0 HG SER A 37 -6.104 3.094 -8.993 1.00 0.00 H new ATOM 610 N TYR A 38 -2.177 5.386 -7.120 1.00 0.00 N ATOM 611 CA TYR A 38 -1.279 6.522 -6.945 1.00 0.00 C ATOM 612 C TYR A 38 -1.161 7.326 -8.236 1.00 0.00 C ATOM 613 O TYR A 38 -0.907 6.772 -9.305 1.00 0.00 O ATOM 614 CB TYR A 38 0.104 6.042 -6.501 1.00 0.00 C ATOM 615 CG TYR A 38 0.617 4.860 -7.291 1.00 0.00 C ATOM 616 CD1 TYR A 38 0.121 3.581 -7.068 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.598 5.021 -8.263 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.587 2.498 -7.787 1.00 0.00 C ATOM 619 CE2 TYR A 38 2.069 3.943 -8.987 1.00 0.00 C ATOM 620 CZ TYR A 38 1.561 2.684 -8.745 1.00 0.00 C ATOM 621 OH TYR A 38 2.027 1.607 -9.465 1.00 0.00 O ATOM 0 H TYR A 38 -1.874 4.714 -7.825 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.697 7.168 -6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.812 6.865 -6.594 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.064 5.773 -5.445 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.643 3.431 -6.319 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.998 6.005 -8.455 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.191 1.511 -7.600 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.831 4.085 -9.739 1.00 0.00 H new ATOM 0 HH TYR A 38 2.710 1.909 -10.100 1.00 0.00 H new ATOM 631 N TYR A 39 -1.348 8.637 -8.127 1.00 0.00 N ATOM 632 CA TYR A 39 -1.264 9.519 -9.285 1.00 0.00 C ATOM 633 C TYR A 39 0.028 10.330 -9.260 1.00 0.00 C ATOM 634 O TYR A 39 0.589 10.593 -8.196 1.00 0.00 O ATOM 635 CB TYR A 39 -2.470 10.460 -9.323 1.00 0.00 C ATOM 636 CG TYR A 39 -3.795 9.742 -9.439 1.00 0.00 C ATOM 637 CD1 TYR A 39 -4.444 9.255 -8.311 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.398 9.550 -10.675 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.655 8.597 -8.411 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.609 8.895 -10.785 1.00 0.00 C ATOM 641 CZ TYR A 39 -6.234 8.420 -9.651 1.00 0.00 C ATOM 642 OH TYR A 39 -7.440 7.766 -9.756 1.00 0.00 O ATOM 0 H TYR A 39 -1.559 9.112 -7.249 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.265 8.900 -10.182 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.474 11.068 -8.419 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.361 11.143 -10.166 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.994 9.393 -7.339 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.912 9.919 -11.566 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.145 8.224 -7.524 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.064 8.755 -11.754 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.710 7.726 -10.697 1.00 0.00 H new ATOM 652 N VAL A 40 0.494 10.725 -10.440 1.00 0.00 N ATOM 653 CA VAL A 40 1.718 11.508 -10.556 1.00 0.00 C ATOM 654 C VAL A 40 1.779 12.594 -9.488 1.00 0.00 C ATOM 655 O VAL A 40 2.724 12.655 -8.702 1.00 0.00 O ATOM 656 CB VAL A 40 1.838 12.162 -11.945 1.00 0.00 C ATOM 657 CG1 VAL A 40 3.063 13.061 -12.009 1.00 0.00 C ATOM 658 CG2 VAL A 40 1.889 11.098 -13.032 1.00 0.00 C ATOM 0 H VAL A 40 0.042 10.515 -11.330 1.00 0.00 H new ATOM 0 HA VAL A 40 2.549 10.817 -10.416 1.00 0.00 H new ATOM 0 HB VAL A 40 0.956 12.779 -12.114 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.131 13.514 -12.998 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.979 13.845 -11.256 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.959 12.470 -11.819 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.974 11.578 -14.007 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.752 10.452 -12.869 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.978 10.501 -13.000 1.00 0.00 H new ATOM 668 N SER A 41 0.763 13.451 -9.465 1.00 0.00 N ATOM 669 CA SER A 41 0.702 14.539 -8.496 1.00 0.00 C ATOM 670 C SER A 41 -0.617 14.509 -7.729 1.00 0.00 C ATOM 671 O SER A 41 -1.421 13.592 -7.891 1.00 0.00 O ATOM 672 CB SER A 41 0.865 15.887 -9.199 1.00 0.00 C ATOM 673 OG SER A 41 2.219 16.120 -9.547 1.00 0.00 O ATOM 0 H SER A 41 -0.029 13.413 -10.106 1.00 0.00 H new ATOM 0 HA SER A 41 1.519 14.407 -7.787 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.246 15.910 -10.096 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.511 16.686 -8.547 1.00 0.00 H new ATOM 0 HG SER A 41 2.297 16.987 -9.997 1.00 0.00 H new ATOM 679 N GLU A 42 -0.831 15.520 -6.892 1.00 0.00 N ATOM 680 CA GLU A 42 -2.051 15.609 -6.099 1.00 0.00 C ATOM 681 C GLU A 42 -3.182 16.234 -6.910 1.00 0.00 C ATOM 682 O GLU A 42 -4.009 16.973 -6.375 1.00 0.00 O ATOM 683 CB GLU A 42 -1.803 16.430 -4.831 1.00 0.00 C ATOM 684 CG GLU A 42 -1.625 17.916 -5.094 1.00 0.00 C ATOM 685 CD GLU A 42 -1.149 18.671 -3.868 1.00 0.00 C ATOM 686 OE1 GLU A 42 -0.027 18.390 -3.397 1.00 0.00 O ATOM 687 OE2 GLU A 42 -1.898 19.543 -3.380 1.00 0.00 O ATOM 0 H GLU A 42 -0.176 16.288 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.345 14.598 -5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.640 16.288 -4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.913 16.049 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.908 18.055 -5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.572 18.338 -5.431 1.00 0.00 H new ATOM 694 N ASP A 43 -3.212 15.933 -8.203 1.00 0.00 N ATOM 695 CA ASP A 43 -4.241 16.465 -9.089 1.00 0.00 C ATOM 696 C ASP A 43 -5.271 15.393 -9.429 1.00 0.00 C ATOM 697 O ASP A 43 -6.447 15.692 -9.641 1.00 0.00 O ATOM 698 CB ASP A 43 -3.609 17.008 -10.371 1.00 0.00 C ATOM 699 CG ASP A 43 -4.411 18.145 -10.975 1.00 0.00 C ATOM 700 OD1 ASP A 43 -5.351 18.627 -10.309 1.00 0.00 O ATOM 701 OD2 ASP A 43 -4.097 18.553 -12.112 1.00 0.00 O ATOM 0 H ASP A 43 -2.535 15.323 -8.662 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.748 17.279 -8.571 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.598 17.354 -10.156 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.522 16.202 -11.099 1.00 0.00 H new ATOM 706 N LEU A 44 -4.823 14.143 -9.482 1.00 0.00 N ATOM 707 CA LEU A 44 -5.705 13.026 -9.798 1.00 0.00 C ATOM 708 C LEU A 44 -6.149 13.078 -11.256 1.00 0.00 C ATOM 709 O LEU A 44 -7.300 12.782 -11.578 1.00 0.00 O ATOM 710 CB LEU A 44 -6.929 13.042 -8.880 1.00 0.00 C ATOM 711 CG LEU A 44 -6.646 13.220 -7.388 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.930 13.534 -6.635 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.983 11.975 -6.818 1.00 0.00 C ATOM 0 H LEU A 44 -3.853 13.878 -9.310 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.150 12.101 -9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.590 13.847 -9.203 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.474 12.108 -9.017 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.962 14.060 -7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.709 13.657 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.364 14.455 -7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.638 12.715 -6.765 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.789 12.120 -5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.642 11.118 -6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.042 11.794 -7.337 1.00 0.00 H new ATOM 725 N LYS A 45 -5.227 13.454 -12.136 1.00 0.00 N ATOM 726 CA LYS A 45 -5.521 13.542 -13.562 1.00 0.00 C ATOM 727 C LYS A 45 -4.870 12.392 -14.323 1.00 0.00 C ATOM 728 O LYS A 45 -5.476 11.807 -15.221 1.00 0.00 O ATOM 729 CB LYS A 45 -5.033 14.880 -14.123 1.00 0.00 C ATOM 730 CG LYS A 45 -5.660 16.087 -13.448 1.00 0.00 C ATOM 731 CD LYS A 45 -6.939 16.516 -14.148 1.00 0.00 C ATOM 732 CE LYS A 45 -6.658 17.519 -15.256 1.00 0.00 C ATOM 733 NZ LYS A 45 -6.252 16.848 -16.522 1.00 0.00 N ATOM 0 H LYS A 45 -4.270 13.703 -11.887 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.601 13.474 -13.690 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.950 14.936 -14.016 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.250 14.918 -15.191 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.876 15.851 -12.406 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.950 16.914 -13.447 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.438 15.641 -14.565 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.622 16.956 -13.422 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.548 18.122 -15.434 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.869 18.201 -14.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.459 17.472 -17.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.233 16.644 -16.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.780 15.959 -16.628 1.00 0.00 H new ATOM 747 N ASP A 46 -3.633 12.071 -13.958 1.00 0.00 N ATOM 748 CA ASP A 46 -2.901 10.989 -14.605 1.00 0.00 C ATOM 749 C ASP A 46 -2.597 9.870 -13.613 1.00 0.00 C ATOM 750 O ASP A 46 -1.813 10.048 -12.680 1.00 0.00 O ATOM 751 CB ASP A 46 -1.600 11.516 -15.213 1.00 0.00 C ATOM 752 CG ASP A 46 -1.839 12.353 -16.454 1.00 0.00 C ATOM 753 OD1 ASP A 46 -2.716 11.980 -17.261 1.00 0.00 O ATOM 754 OD2 ASP A 46 -1.148 13.380 -16.619 1.00 0.00 O ATOM 0 H ASP A 46 -3.117 12.545 -13.217 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.527 10.585 -15.401 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.072 12.114 -14.471 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.953 10.676 -15.464 1.00 0.00 H new ATOM 759 N LYS A 47 -3.222 8.716 -13.821 1.00 0.00 N ATOM 760 CA LYS A 47 -3.019 7.567 -12.946 1.00 0.00 C ATOM 761 C LYS A 47 -1.755 6.807 -13.332 1.00 0.00 C ATOM 762 O LYS A 47 -1.311 6.860 -14.479 1.00 0.00 O ATOM 763 CB LYS A 47 -4.229 6.632 -13.010 1.00 0.00 C ATOM 764 CG LYS A 47 -4.249 5.587 -11.907 1.00 0.00 C ATOM 765 CD LYS A 47 -5.657 5.083 -11.642 1.00 0.00 C ATOM 766 CE LYS A 47 -6.103 4.089 -12.703 1.00 0.00 C ATOM 767 NZ LYS A 47 -7.516 3.664 -12.506 1.00 0.00 N ATOM 0 H LYS A 47 -3.874 8.551 -14.588 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.904 7.934 -11.926 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.141 7.227 -12.952 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.238 6.128 -13.977 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.609 4.750 -12.186 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.836 6.014 -10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.697 4.611 -10.660 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.348 5.926 -11.619 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.993 4.538 -13.690 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.454 3.214 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.782 2.987 -13.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.616 3.213 -11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.139 4.495 -12.557 1.00 0.00 H new ATOM 781 N LYS A 48 -1.179 6.098 -12.367 1.00 0.00 N ATOM 782 CA LYS A 48 0.033 5.323 -12.605 1.00 0.00 C ATOM 783 C LYS A 48 -0.245 3.828 -12.492 1.00 0.00 C ATOM 784 O LYS A 48 0.247 3.033 -13.292 1.00 0.00 O ATOM 785 CB LYS A 48 1.124 5.726 -11.611 1.00 0.00 C ATOM 786 CG LYS A 48 1.926 6.941 -12.046 1.00 0.00 C ATOM 787 CD LYS A 48 2.942 6.584 -13.117 1.00 0.00 C ATOM 788 CE LYS A 48 3.375 7.810 -13.906 1.00 0.00 C ATOM 789 NZ LYS A 48 4.674 7.593 -14.600 1.00 0.00 N ATOM 0 H LYS A 48 -1.533 6.044 -11.412 1.00 0.00 H new ATOM 0 HA LYS A 48 0.376 5.535 -13.618 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.665 5.932 -10.644 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.803 4.885 -11.469 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.250 7.707 -12.425 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.439 7.367 -11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.814 6.122 -12.653 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.513 5.846 -13.795 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.608 8.059 -14.640 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.461 8.663 -13.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.934 8.451 -15.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.411 7.381 -13.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.585 6.795 -15.261 1.00 0.00 H new ATOM 803 N GLY A 49 -1.039 3.452 -11.493 1.00 0.00 N ATOM 804 CA GLY A 49 -1.370 2.053 -11.295 1.00 0.00 C ATOM 805 C GLY A 49 -2.533 1.862 -10.343 1.00 0.00 C ATOM 806 O GLY A 49 -3.242 2.815 -10.018 1.00 0.00 O ATOM 0 H GLY A 49 -1.458 4.091 -10.818 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.613 1.601 -12.256 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.497 1.528 -10.907 1.00 0.00 H new ATOM 810 N ASP A 50 -2.733 0.627 -9.895 1.00 0.00 N ATOM 811 CA ASP A 50 -3.820 0.314 -8.975 1.00 0.00 C ATOM 812 C ASP A 50 -3.499 -0.936 -8.161 1.00 0.00 C ATOM 813 O ASP A 50 -2.960 -1.910 -8.687 1.00 0.00 O ATOM 814 CB ASP A 50 -5.127 0.115 -9.744 1.00 0.00 C ATOM 815 CG ASP A 50 -5.384 1.225 -10.744 1.00 0.00 C ATOM 816 OD1 ASP A 50 -5.708 2.351 -10.312 1.00 0.00 O ATOM 817 OD2 ASP A 50 -5.260 0.967 -11.960 1.00 0.00 O ATOM 0 H ASP A 50 -2.156 -0.173 -10.154 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.936 1.153 -8.289 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.096 -0.841 -10.267 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.957 0.066 -9.039 1.00 0.00 H new ATOM 822 N ILE A 51 -3.832 -0.900 -6.875 1.00 0.00 N ATOM 823 CA ILE A 51 -3.580 -2.030 -5.989 1.00 0.00 C ATOM 824 C ILE A 51 -4.883 -2.604 -5.445 1.00 0.00 C ATOM 825 O ILE A 51 -5.435 -2.102 -4.465 1.00 0.00 O ATOM 826 CB ILE A 51 -2.677 -1.628 -4.808 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.345 -1.077 -5.320 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.446 -2.818 -3.889 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.592 -0.263 -4.292 1.00 0.00 C ATOM 0 H ILE A 51 -4.277 -0.101 -6.424 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.072 -2.789 -6.583 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.177 -0.845 -4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.718 -1.908 -5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.531 -0.457 -6.197 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.806 -2.518 -3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.402 -3.169 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.964 -3.621 -4.447 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.342 0.095 -4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.200 0.588 -3.986 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.375 -0.885 -3.424 1.00 0.00 H new ATOM 841 N LEU A 52 -5.371 -3.660 -6.087 1.00 0.00 N ATOM 842 CA LEU A 52 -6.610 -4.306 -5.667 1.00 0.00 C ATOM 843 C LEU A 52 -6.543 -4.709 -4.197 1.00 0.00 C ATOM 844 O LEU A 52 -5.762 -5.583 -3.817 1.00 0.00 O ATOM 845 CB LEU A 52 -6.886 -5.536 -6.533 1.00 0.00 C ATOM 846 CG LEU A 52 -6.778 -5.331 -8.045 1.00 0.00 C ATOM 847 CD1 LEU A 52 -6.882 -6.662 -8.773 1.00 0.00 C ATOM 848 CD2 LEU A 52 -7.853 -4.369 -8.531 1.00 0.00 C ATOM 0 H LEU A 52 -4.928 -4.087 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.424 -3.592 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.190 -6.323 -6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.889 -5.897 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.803 -4.896 -8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.803 -6.496 -9.847 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.076 -7.319 -8.447 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.842 -7.126 -8.547 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.761 -4.235 -9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.837 -4.776 -8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.732 -3.407 -8.034 1.00 0.00 H new ATOM 860 N LEU A 53 -7.367 -4.069 -3.375 1.00 0.00 N ATOM 861 CA LEU A 53 -7.403 -4.362 -1.947 1.00 0.00 C ATOM 862 C LEU A 53 -8.190 -5.640 -1.673 1.00 0.00 C ATOM 863 O LEU A 53 -9.218 -5.894 -2.302 1.00 0.00 O ATOM 864 CB LEU A 53 -8.025 -3.193 -1.182 1.00 0.00 C ATOM 865 CG LEU A 53 -7.131 -1.968 -0.986 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.938 -0.800 -0.440 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.971 -2.297 -0.058 1.00 0.00 C ATOM 0 H LEU A 53 -8.019 -3.344 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.378 -4.508 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.927 -2.879 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.336 -3.551 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.724 -1.680 -1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.285 0.063 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.734 -0.548 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.374 -1.076 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.345 -1.414 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.358 -2.611 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.377 -3.103 -0.490 1.00 0.00 H new ATOM 879 N ASP A 54 -7.703 -6.439 -0.731 1.00 0.00 N ATOM 880 CA ASP A 54 -8.362 -7.688 -0.371 1.00 0.00 C ATOM 881 C ASP A 54 -7.896 -8.175 0.998 1.00 0.00 C ATOM 882 O ASP A 54 -6.754 -7.943 1.393 1.00 0.00 O ATOM 883 CB ASP A 54 -8.085 -8.759 -1.428 1.00 0.00 C ATOM 884 CG ASP A 54 -8.833 -8.502 -2.721 1.00 0.00 C ATOM 885 OD1 ASP A 54 -10.021 -8.124 -2.655 1.00 0.00 O ATOM 886 OD2 ASP A 54 -8.229 -8.679 -3.800 1.00 0.00 O ATOM 0 H ASP A 54 -6.853 -6.244 -0.202 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.435 -7.503 -0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.015 -8.796 -1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.369 -9.735 -1.035 1.00 0.00 H new ATOM 891 N GLU A 55 -8.789 -8.849 1.716 1.00 0.00 N ATOM 892 CA GLU A 55 -8.468 -9.365 3.042 1.00 0.00 C ATOM 893 C GLU A 55 -7.029 -9.870 3.096 1.00 0.00 C ATOM 894 O GLU A 55 -6.361 -9.764 4.123 1.00 0.00 O ATOM 895 CB GLU A 55 -9.430 -10.493 3.420 1.00 0.00 C ATOM 896 CG GLU A 55 -9.415 -11.659 2.445 1.00 0.00 C ATOM 897 CD GLU A 55 -9.837 -12.964 3.090 1.00 0.00 C ATOM 898 OE1 GLU A 55 -9.046 -13.516 3.883 1.00 0.00 O ATOM 899 OE2 GLU A 55 -10.958 -13.434 2.802 1.00 0.00 O ATOM 0 H GLU A 55 -9.739 -9.050 1.403 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.575 -8.550 3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.175 -10.859 4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.442 -10.092 3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.081 -11.439 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.412 -11.770 2.032 1.00 0.00 H new ATOM 906 N ASN A 56 -6.559 -10.420 1.981 1.00 0.00 N ATOM 907 CA ASN A 56 -5.200 -10.943 1.900 1.00 0.00 C ATOM 908 C ASN A 56 -4.176 -9.827 2.084 1.00 0.00 C ATOM 909 O ASN A 56 -3.335 -9.882 2.981 1.00 0.00 O ATOM 910 CB ASN A 56 -4.977 -11.639 0.556 1.00 0.00 C ATOM 911 CG ASN A 56 -5.350 -13.108 0.597 1.00 0.00 C ATOM 912 OD1 ASN A 56 -6.647 -13.388 0.642 1.00 0.00 O flip ATOM 913 ND2 ASN A 56 -4.482 -13.981 0.587 1.00 0.00 N flip ATOM 0 H ASN A 56 -7.099 -10.515 1.121 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.069 -11.669 2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.567 -11.138 -0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.930 -11.541 0.268 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.497 -13.720 0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.748 -14.965 0.614 1.00 0.00 H new ATOM 920 N CYS A 57 -4.254 -8.814 1.227 1.00 0.00 N ATOM 921 CA CYS A 57 -3.335 -7.683 1.294 1.00 0.00 C ATOM 922 C CYS A 57 -3.260 -7.126 2.712 1.00 0.00 C ATOM 923 O CYS A 57 -4.262 -7.082 3.427 1.00 0.00 O ATOM 924 CB CYS A 57 -3.775 -6.584 0.325 1.00 0.00 C ATOM 925 SG CYS A 57 -3.566 -7.014 -1.433 1.00 0.00 S ATOM 0 H CYS A 57 -4.944 -8.753 0.478 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.344 -8.035 1.008 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.824 -6.351 0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.206 -5.679 0.537 1.00 0.00 H new ATOM 930 N CYS A 58 -2.066 -6.702 3.112 1.00 0.00 N ATOM 931 CA CYS A 58 -1.859 -6.148 4.446 1.00 0.00 C ATOM 932 C CYS A 58 -0.654 -5.213 4.465 1.00 0.00 C ATOM 933 O CYS A 58 0.074 -5.101 3.478 1.00 0.00 O ATOM 934 CB CYS A 58 -1.663 -7.273 5.463 1.00 0.00 C ATOM 935 SG CYS A 58 -0.014 -8.012 5.438 1.00 0.00 S ATOM 0 H CYS A 58 -1.227 -6.731 2.532 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.746 -5.574 4.716 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.860 -6.883 6.462 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.401 -8.052 5.274 1.00 0.00 H new ATOM 0 HG CYS A 58 0.054 -8.951 6.334 1.00 0.00 H new ATOM 941 N VAL A 59 -0.449 -4.543 5.594 1.00 0.00 N ATOM 942 CA VAL A 59 0.667 -3.617 5.742 1.00 0.00 C ATOM 943 C VAL A 59 1.567 -4.022 6.904 1.00 0.00 C ATOM 944 O VAL A 59 1.110 -4.623 7.875 1.00 0.00 O ATOM 945 CB VAL A 59 0.175 -2.175 5.968 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.680 -2.093 7.223 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.353 -1.217 6.052 1.00 0.00 C ATOM 0 H VAL A 59 -1.042 -4.624 6.420 1.00 0.00 H new ATOM 0 HA VAL A 59 1.236 -3.658 4.813 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.441 -1.883 5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.018 -1.067 7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.544 -2.749 7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.091 -2.405 8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.987 -0.203 6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.998 -1.505 6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.920 -1.255 5.122 1.00 0.00 H new ATOM 957 N GLU A 60 2.850 -3.689 6.796 1.00 0.00 N ATOM 958 CA GLU A 60 3.814 -4.019 7.838 1.00 0.00 C ATOM 959 C GLU A 60 4.822 -2.889 8.025 1.00 0.00 C ATOM 960 O GLU A 60 5.238 -2.248 7.060 1.00 0.00 O ATOM 961 CB GLU A 60 4.547 -5.318 7.494 1.00 0.00 C ATOM 962 CG GLU A 60 5.305 -5.258 6.179 1.00 0.00 C ATOM 963 CD GLU A 60 6.127 -6.507 5.922 1.00 0.00 C ATOM 964 OE1 GLU A 60 5.530 -7.553 5.594 1.00 0.00 O ATOM 965 OE2 GLU A 60 7.367 -6.436 6.049 1.00 0.00 O ATOM 0 H GLU A 60 3.245 -3.191 5.998 1.00 0.00 H new ATOM 0 HA GLU A 60 3.268 -4.154 8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.246 -5.554 8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.824 -6.133 7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.597 -5.119 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.963 -4.389 6.182 1.00 0.00 H new ATOM 972 N SER A 61 5.209 -2.649 9.274 1.00 0.00 N ATOM 973 CA SER A 61 6.164 -1.593 9.590 1.00 0.00 C ATOM 974 C SER A 61 7.594 -2.064 9.346 1.00 0.00 C ATOM 975 O SER A 61 8.050 -3.040 9.945 1.00 0.00 O ATOM 976 CB SER A 61 6.002 -1.148 11.044 1.00 0.00 C ATOM 977 OG SER A 61 6.127 -2.246 11.931 1.00 0.00 O ATOM 0 H SER A 61 4.876 -3.172 10.084 1.00 0.00 H new ATOM 0 HA SER A 61 5.962 -0.746 8.934 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.754 -0.396 11.283 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.028 -0.678 11.177 1.00 0.00 H new ATOM 0 HG SER A 61 6.838 -2.842 11.616 1.00 0.00 H new ATOM 983 N LEU A 62 8.299 -1.365 8.463 1.00 0.00 N ATOM 984 CA LEU A 62 9.678 -1.710 8.139 1.00 0.00 C ATOM 985 C LEU A 62 10.656 -0.832 8.914 1.00 0.00 C ATOM 986 O LEU A 62 10.373 0.323 9.233 1.00 0.00 O ATOM 987 CB LEU A 62 9.923 -1.561 6.637 1.00 0.00 C ATOM 988 CG LEU A 62 9.225 -2.583 5.738 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.676 -2.421 4.295 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.498 -3.997 6.229 1.00 0.00 C ATOM 0 H LEU A 62 7.938 -0.555 7.959 1.00 0.00 H new ATOM 0 HA LEU A 62 9.843 -2.748 8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.604 -0.563 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.996 -1.621 6.457 1.00 0.00 H new ATOM 0 HG LEU A 62 8.151 -2.405 5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.169 -3.157 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.429 -1.418 3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.754 -2.572 4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.994 -4.712 5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.571 -4.187 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.124 -4.107 7.247 1.00 0.00 H new ATOM 1002 N PRO A 63 11.835 -1.391 9.224 1.00 0.00 N ATOM 1003 CA PRO A 63 12.880 -0.675 9.964 1.00 0.00 C ATOM 1004 C PRO A 63 13.514 0.440 9.139 1.00 0.00 C ATOM 1005 O PRO A 63 13.143 0.659 7.985 1.00 0.00 O ATOM 1006 CB PRO A 63 13.909 -1.766 10.268 1.00 0.00 C ATOM 1007 CG PRO A 63 13.709 -2.785 9.200 1.00 0.00 C ATOM 1008 CD PRO A 63 12.240 -2.763 8.877 1.00 0.00 C ATOM 0 HA PRO A 63 12.486 -0.182 10.852 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.924 -1.369 10.251 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.751 -2.194 11.258 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.306 -2.549 8.319 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.019 -3.773 9.540 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.057 -2.982 7.825 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.690 -3.503 9.458 1.00 0.00 H new ATOM 1016 N ASP A 64 14.471 1.141 9.737 1.00 0.00 N ATOM 1017 CA ASP A 64 15.157 2.232 9.056 1.00 0.00 C ATOM 1018 C ASP A 64 16.399 1.725 8.329 1.00 0.00 C ATOM 1019 O ASP A 64 17.279 1.112 8.935 1.00 0.00 O ATOM 1020 CB ASP A 64 15.547 3.321 10.057 1.00 0.00 C ATOM 1021 CG ASP A 64 14.481 3.547 11.111 1.00 0.00 C ATOM 1022 OD1 ASP A 64 14.430 2.761 12.081 1.00 0.00 O ATOM 1023 OD2 ASP A 64 13.696 4.508 10.966 1.00 0.00 O ATOM 0 H ASP A 64 14.789 0.973 10.692 1.00 0.00 H new ATOM 0 HA ASP A 64 14.473 2.653 8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.482 3.045 10.544 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.729 4.253 9.523 1.00 0.00 H new ATOM 1028 N LYS A 65 16.463 1.982 7.027 1.00 0.00 N ATOM 1029 CA LYS A 65 17.596 1.552 6.217 1.00 0.00 C ATOM 1030 C LYS A 65 17.949 2.606 5.172 1.00 0.00 C ATOM 1031 O LYS A 65 17.088 3.366 4.728 1.00 0.00 O ATOM 1032 CB LYS A 65 17.281 0.222 5.528 1.00 0.00 C ATOM 1033 CG LYS A 65 16.424 0.370 4.283 1.00 0.00 C ATOM 1034 CD LYS A 65 14.943 0.335 4.617 1.00 0.00 C ATOM 1035 CE LYS A 65 14.088 0.617 3.391 1.00 0.00 C ATOM 1036 NZ LYS A 65 14.484 1.884 2.718 1.00 0.00 N ATOM 0 H LYS A 65 15.743 2.486 6.510 1.00 0.00 H new ATOM 0 HA LYS A 65 18.453 1.419 6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.216 -0.269 5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.770 -0.432 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.663 1.310 3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.659 -0.431 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.684 -0.642 5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.726 1.072 5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.177 -0.211 2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.040 0.674 3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.641 2.341 2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.925 2.522 3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.162 1.676 1.958 1.00 0.00 H new ATOM 1050 N ASP A 66 19.219 2.645 4.784 1.00 0.00 N ATOM 1051 CA ASP A 66 19.685 3.605 3.790 1.00 0.00 C ATOM 1052 C ASP A 66 19.386 5.034 4.232 1.00 0.00 C ATOM 1053 O ASP A 66 18.901 5.848 3.447 1.00 0.00 O ATOM 1054 CB ASP A 66 19.029 3.328 2.436 1.00 0.00 C ATOM 1055 CG ASP A 66 19.812 3.921 1.281 1.00 0.00 C ATOM 1056 OD1 ASP A 66 21.051 4.030 1.398 1.00 0.00 O ATOM 1057 OD2 ASP A 66 19.186 4.276 0.261 1.00 0.00 O ATOM 0 H ASP A 66 19.944 2.023 5.142 1.00 0.00 H new ATOM 0 HA ASP A 66 20.765 3.494 3.691 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.937 2.251 2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.019 3.737 2.434 1.00 0.00 H new ATOM 1062 N GLY A 67 19.677 5.331 5.494 1.00 0.00 N ATOM 1063 CA GLY A 67 19.432 6.662 6.019 1.00 0.00 C ATOM 1064 C GLY A 67 17.992 7.100 5.838 1.00 0.00 C ATOM 1065 O GLY A 67 17.725 8.185 5.322 1.00 0.00 O ATOM 0 H GLY A 67 20.078 4.674 6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.685 6.683 7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.090 7.373 5.520 1.00 0.00 H new ATOM 1069 N LYS A 68 17.060 6.253 6.261 1.00 0.00 N ATOM 1070 CA LYS A 68 15.639 6.557 6.143 1.00 0.00 C ATOM 1071 C LYS A 68 14.965 6.547 7.511 1.00 0.00 C ATOM 1072 O LYS A 68 15.619 6.355 8.536 1.00 0.00 O ATOM 1073 CB LYS A 68 14.955 5.546 5.219 1.00 0.00 C ATOM 1074 CG LYS A 68 15.115 5.866 3.743 1.00 0.00 C ATOM 1075 CD LYS A 68 14.340 7.114 3.355 1.00 0.00 C ATOM 1076 CE LYS A 68 13.920 7.078 1.894 1.00 0.00 C ATOM 1077 NZ LYS A 68 12.702 6.247 1.687 1.00 0.00 N ATOM 0 H LYS A 68 17.263 5.350 6.689 1.00 0.00 H new ATOM 0 HA LYS A 68 15.541 7.555 5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.363 4.554 5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.893 5.506 5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.171 6.006 3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.768 5.022 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.456 7.206 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.954 7.996 3.536 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.730 8.093 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.737 6.681 1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.875 5.562 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.476 5.737 2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.903 6.860 1.427 1.00 0.00 H new ATOM 1091 N LYS A 69 13.652 6.755 7.521 1.00 0.00 N ATOM 1092 CA LYS A 69 12.888 6.768 8.763 1.00 0.00 C ATOM 1093 C LYS A 69 11.395 6.631 8.484 1.00 0.00 C ATOM 1094 O LYS A 69 10.905 7.076 7.445 1.00 0.00 O ATOM 1095 CB LYS A 69 13.157 8.060 9.538 1.00 0.00 C ATOM 1096 CG LYS A 69 12.819 9.319 8.758 1.00 0.00 C ATOM 1097 CD LYS A 69 14.009 9.812 7.952 1.00 0.00 C ATOM 1098 CE LYS A 69 13.667 11.069 7.166 1.00 0.00 C ATOM 1099 NZ LYS A 69 13.855 12.301 7.981 1.00 0.00 N ATOM 0 H LYS A 69 13.095 6.917 6.682 1.00 0.00 H new ATOM 0 HA LYS A 69 13.207 5.918 9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.577 8.048 10.461 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.209 8.091 9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.982 9.120 8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.497 10.100 9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.844 10.016 8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.335 9.030 7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.294 11.123 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.633 11.014 6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.612 13.135 7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.238 12.262 8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.847 12.367 8.286 1.00 0.00 H new ATOM 1113 N CYS A 70 10.677 6.017 9.418 1.00 0.00 N ATOM 1114 CA CYS A 70 9.239 5.823 9.272 1.00 0.00 C ATOM 1115 C CYS A 70 8.917 5.093 7.972 1.00 0.00 C ATOM 1116 O CYS A 70 8.087 5.545 7.183 1.00 0.00 O ATOM 1117 CB CYS A 70 8.516 7.170 9.308 1.00 0.00 C ATOM 1118 SG CYS A 70 8.064 7.722 10.969 1.00 0.00 S ATOM 0 H CYS A 70 11.067 5.645 10.284 1.00 0.00 H new ATOM 0 HA CYS A 70 8.894 5.211 10.105 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.153 7.925 8.847 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.613 7.102 8.701 1.00 0.00 H new ATOM 0 HG CYS A 70 7.817 8.998 10.950 1.00 0.00 H new ATOM 1124 N LEU A 71 9.581 3.963 7.755 1.00 0.00 N ATOM 1125 CA LEU A 71 9.367 3.170 6.549 1.00 0.00 C ATOM 1126 C LEU A 71 8.233 2.170 6.749 1.00 0.00 C ATOM 1127 O LEU A 71 7.915 1.793 7.877 1.00 0.00 O ATOM 1128 CB LEU A 71 10.651 2.432 6.166 1.00 0.00 C ATOM 1129 CG LEU A 71 11.642 3.213 5.302 1.00 0.00 C ATOM 1130 CD1 LEU A 71 13.069 2.785 5.607 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.329 3.020 3.826 1.00 0.00 C ATOM 0 H LEU A 71 10.272 3.575 8.398 1.00 0.00 H new ATOM 0 HA LEU A 71 9.090 3.848 5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.159 2.128 7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.378 1.520 5.636 1.00 0.00 H new ATOM 0 HG LEU A 71 11.544 4.273 5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.760 3.351 4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.289 2.975 6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.182 1.721 5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.044 3.583 3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.398 1.962 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.320 3.377 3.618 1.00 0.00 H new ATOM 1143 N PHE A 72 7.627 1.743 5.646 1.00 0.00 N ATOM 1144 CA PHE A 72 6.528 0.785 5.700 1.00 0.00 C ATOM 1145 C PHE A 72 6.272 0.174 4.325 1.00 0.00 C ATOM 1146 O PHE A 72 6.266 0.875 3.312 1.00 0.00 O ATOM 1147 CB PHE A 72 5.257 1.464 6.213 1.00 0.00 C ATOM 1148 CG PHE A 72 4.638 2.407 5.222 1.00 0.00 C ATOM 1149 CD1 PHE A 72 5.038 3.732 5.164 1.00 0.00 C ATOM 1150 CD2 PHE A 72 3.658 1.968 4.347 1.00 0.00 C ATOM 1151 CE1 PHE A 72 4.469 4.603 4.253 1.00 0.00 C ATOM 1152 CE2 PHE A 72 3.086 2.834 3.433 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.493 4.152 3.386 1.00 0.00 C ATOM 0 H PHE A 72 7.878 2.045 4.705 1.00 0.00 H new ATOM 0 HA PHE A 72 6.808 -0.014 6.387 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.528 0.699 6.478 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.491 2.012 7.126 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.803 4.089 5.838 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.337 0.937 4.379 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.787 5.634 4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.322 2.480 2.757 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.049 4.830 2.672 1.00 0.00 H new ATOM 1163 N LEU A 73 6.062 -1.138 4.298 1.00 0.00 N ATOM 1164 CA LEU A 73 5.805 -1.845 3.048 1.00 0.00 C ATOM 1165 C LEU A 73 4.481 -2.600 3.111 1.00 0.00 C ATOM 1166 O LEU A 73 4.041 -3.013 4.184 1.00 0.00 O ATOM 1167 CB LEU A 73 6.946 -2.819 2.747 1.00 0.00 C ATOM 1168 CG LEU A 73 6.768 -3.701 1.511 1.00 0.00 C ATOM 1169 CD1 LEU A 73 8.118 -4.041 0.899 1.00 0.00 C ATOM 1170 CD2 LEU A 73 6.006 -4.969 1.866 1.00 0.00 C ATOM 0 H LEU A 73 6.065 -1.733 5.127 1.00 0.00 H new ATOM 0 HA LEU A 73 5.743 -1.107 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.865 -2.245 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.083 -3.466 3.614 1.00 0.00 H new ATOM 0 HG LEU A 73 6.187 -3.147 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.971 -4.669 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.627 -3.122 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.725 -4.575 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.889 -5.585 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.559 -5.527 2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.023 -4.705 2.257 1.00 0.00 H new ATOM 1182 N VAL A 74 3.852 -2.778 1.954 1.00 0.00 N ATOM 1183 CA VAL A 74 2.579 -3.486 1.877 1.00 0.00 C ATOM 1184 C VAL A 74 2.732 -4.812 1.142 1.00 0.00 C ATOM 1185 O VAL A 74 3.271 -4.864 0.036 1.00 0.00 O ATOM 1186 CB VAL A 74 1.507 -2.638 1.167 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.225 -3.437 0.990 1.00 0.00 C ATOM 1188 CG2 VAL A 74 1.244 -1.356 1.941 1.00 0.00 C ATOM 0 H VAL A 74 4.203 -2.442 1.057 1.00 0.00 H new ATOM 0 HA VAL A 74 2.260 -3.677 2.902 1.00 0.00 H new ATOM 0 HB VAL A 74 1.878 -2.368 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.521 -2.822 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.429 -4.324 0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.153 -3.739 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.484 -0.769 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.894 -1.602 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.165 -0.777 2.010 1.00 0.00 H new ATOM 1198 N LYS A 75 2.254 -5.885 1.762 1.00 0.00 N ATOM 1199 CA LYS A 75 2.335 -7.214 1.167 1.00 0.00 C ATOM 1200 C LYS A 75 0.973 -7.661 0.646 1.00 0.00 C ATOM 1201 O LYS A 75 -0.007 -7.697 1.391 1.00 0.00 O ATOM 1202 CB LYS A 75 2.857 -8.224 2.192 1.00 0.00 C ATOM 1203 CG LYS A 75 2.867 -9.655 1.685 1.00 0.00 C ATOM 1204 CD LYS A 75 3.986 -9.884 0.683 1.00 0.00 C ATOM 1205 CE LYS A 75 5.326 -10.069 1.377 1.00 0.00 C ATOM 1206 NZ LYS A 75 5.350 -11.297 2.220 1.00 0.00 N ATOM 0 H LYS A 75 1.806 -5.860 2.678 1.00 0.00 H new ATOM 0 HA LYS A 75 3.028 -7.167 0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.869 -7.943 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.241 -8.170 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.985 -10.339 2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.908 -9.884 1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.762 -10.765 0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.043 -9.037 -0.000 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.117 -10.126 0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.537 -9.198 1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.334 -11.605 2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.920 -11.092 3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.812 -12.052 1.749 1.00 0.00 H new ATOM 1220 N CYS A 76 0.918 -8.001 -0.638 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.323 -8.446 -1.259 1.00 0.00 C ATOM 1222 C CYS A 76 -0.198 -9.884 -1.755 1.00 0.00 C ATOM 1223 O CYS A 76 0.869 -10.493 -1.665 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.695 -7.524 -2.422 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.745 -6.114 -1.946 1.00 0.00 S ATOM 0 H CYS A 76 1.719 -7.977 -1.268 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.111 -8.407 -0.507 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.220 -7.145 -2.878 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.212 -8.108 -3.183 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.295 -10.421 -2.279 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.308 -11.787 -2.790 1.00 0.00 C ATOM 1232 C PHE A 77 0.064 -12.181 -3.327 1.00 0.00 C ATOM 1233 O PHE A 77 0.773 -12.984 -2.721 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.360 -11.932 -3.891 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.720 -12.311 -3.376 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -4.052 -13.640 -3.173 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.664 -11.337 -3.094 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -5.302 -13.992 -2.698 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -5.915 -11.683 -2.620 1.00 0.00 C ATOM 1240 CZ PHE A 77 -6.235 -13.013 -2.422 1.00 0.00 C ATOM 0 H PHE A 77 -2.186 -9.931 -2.361 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.560 -12.454 -1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.436 -10.991 -4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.027 -12.687 -4.603 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.326 -14.410 -3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.420 -10.296 -3.246 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.548 -15.032 -2.543 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.642 -10.914 -2.404 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.212 -13.285 -2.052 1.00 0.00 H new ATOM 1250 N ASP A 78 0.432 -11.609 -4.468 1.00 0.00 N ATOM 1251 CA ASP A 78 1.720 -11.899 -5.088 1.00 0.00 C ATOM 1252 C ASP A 78 2.503 -10.615 -5.341 1.00 0.00 C ATOM 1253 O ASP A 78 3.733 -10.622 -5.379 1.00 0.00 O ATOM 1254 CB ASP A 78 1.518 -12.655 -6.403 1.00 0.00 C ATOM 1255 CG ASP A 78 1.083 -11.745 -7.534 1.00 0.00 C ATOM 1256 OD1 ASP A 78 1.962 -11.131 -8.174 1.00 0.00 O ATOM 1257 OD2 ASP A 78 -0.138 -11.646 -7.779 1.00 0.00 O ATOM 0 H ASP A 78 -0.143 -10.942 -4.982 1.00 0.00 H new ATOM 0 HA ASP A 78 2.293 -12.523 -4.402 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.448 -13.153 -6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.769 -13.434 -6.259 1.00 0.00 H new ATOM 1262 N LYS A 79 1.781 -9.512 -5.515 1.00 0.00 N ATOM 1263 CA LYS A 79 2.407 -8.219 -5.764 1.00 0.00 C ATOM 1264 C LYS A 79 2.781 -7.534 -4.453 1.00 0.00 C ATOM 1265 O LYS A 79 2.213 -7.830 -3.401 1.00 0.00 O ATOM 1266 CB LYS A 79 1.466 -7.322 -6.571 1.00 0.00 C ATOM 1267 CG LYS A 79 1.593 -7.502 -8.074 1.00 0.00 C ATOM 1268 CD LYS A 79 0.273 -7.244 -8.780 1.00 0.00 C ATOM 1269 CE LYS A 79 -0.703 -8.392 -8.572 1.00 0.00 C ATOM 1270 NZ LYS A 79 -0.548 -9.447 -9.611 1.00 0.00 N ATOM 0 H LYS A 79 0.762 -9.488 -5.488 1.00 0.00 H new ATOM 0 HA LYS A 79 3.318 -8.388 -6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.438 -7.529 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.667 -6.280 -6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.352 -6.822 -8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.932 -8.515 -8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.166 -6.319 -8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.450 -7.104 -9.846 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.546 -8.828 -7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.723 -8.009 -8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.406 -9.485 -10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.272 -9.225 -10.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.402 -10.368 -9.151 1.00 0.00 H new ATOM 1284 N THR A 80 3.738 -6.614 -4.523 1.00 0.00 N ATOM 1285 CA THR A 80 4.187 -5.887 -3.343 1.00 0.00 C ATOM 1286 C THR A 80 4.323 -4.397 -3.634 1.00 0.00 C ATOM 1287 O THR A 80 4.508 -3.993 -4.782 1.00 0.00 O ATOM 1288 CB THR A 80 5.537 -6.423 -2.832 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.495 -6.435 -3.897 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.383 -7.828 -2.267 1.00 0.00 C ATOM 0 H THR A 80 4.217 -6.355 -5.385 1.00 0.00 H new ATOM 0 HA THR A 80 3.430 -6.037 -2.573 1.00 0.00 H new ATOM 0 HB THR A 80 5.886 -5.764 -2.037 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.351 -6.776 -3.563 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.350 -8.186 -1.912 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.676 -7.811 -1.438 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.013 -8.495 -3.046 1.00 0.00 H new ATOM 1298 N PHE A 81 4.230 -3.583 -2.588 1.00 0.00 N ATOM 1299 CA PHE A 81 4.342 -2.136 -2.732 1.00 0.00 C ATOM 1300 C PHE A 81 4.998 -1.517 -1.501 1.00 0.00 C ATOM 1301 O PHE A 81 4.396 -1.455 -0.430 1.00 0.00 O ATOM 1302 CB PHE A 81 2.961 -1.516 -2.955 1.00 0.00 C ATOM 1303 CG PHE A 81 2.365 -1.847 -4.292 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.909 -3.127 -4.565 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.259 -0.878 -5.278 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.359 -3.435 -5.795 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.709 -1.180 -6.509 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.260 -2.460 -6.769 1.00 0.00 C ATOM 0 H PHE A 81 4.077 -3.901 -1.631 1.00 0.00 H new ATOM 0 HA PHE A 81 4.969 -1.929 -3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.287 -1.859 -2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.038 -0.433 -2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.984 -3.893 -3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.610 0.124 -5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.007 -4.436 -5.995 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.630 -0.415 -7.268 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.832 -2.698 -7.732 1.00 0.00 H new ATOM 1318 N GLU A 82 6.236 -1.060 -1.664 1.00 0.00 N ATOM 1319 CA GLU A 82 6.973 -0.446 -0.566 1.00 0.00 C ATOM 1320 C GLU A 82 6.927 1.076 -0.663 1.00 0.00 C ATOM 1321 O GLU A 82 7.211 1.651 -1.714 1.00 0.00 O ATOM 1322 CB GLU A 82 8.427 -0.924 -0.569 1.00 0.00 C ATOM 1323 CG GLU A 82 9.224 -0.458 0.638 1.00 0.00 C ATOM 1324 CD GLU A 82 10.628 -1.028 0.665 1.00 0.00 C ATOM 1325 OE1 GLU A 82 10.856 -2.079 0.030 1.00 0.00 O ATOM 1326 OE2 GLU A 82 11.501 -0.423 1.323 1.00 0.00 O ATOM 0 H GLU A 82 6.749 -1.103 -2.545 1.00 0.00 H new ATOM 0 HA GLU A 82 6.500 -0.748 0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.442 -2.013 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.916 -0.568 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.278 0.631 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.700 -0.749 1.549 1.00 0.00 H new ATOM 1333 N ILE A 83 6.566 1.722 0.441 1.00 0.00 N ATOM 1334 CA ILE A 83 6.483 3.177 0.481 1.00 0.00 C ATOM 1335 C ILE A 83 7.210 3.736 1.699 1.00 0.00 C ATOM 1336 O ILE A 83 7.412 3.035 2.691 1.00 0.00 O ATOM 1337 CB ILE A 83 5.019 3.656 0.507 1.00 0.00 C ATOM 1338 CG1 ILE A 83 4.236 3.036 -0.652 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.958 5.175 0.442 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.770 2.824 -0.346 1.00 0.00 C ATOM 0 H ILE A 83 6.327 1.261 1.319 1.00 0.00 H new ATOM 0 HA ILE A 83 6.962 3.546 -0.426 1.00 0.00 H new ATOM 0 HB ILE A 83 4.563 3.333 1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.327 3.680 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.687 2.078 -0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.917 5.498 0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.485 5.597 1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.428 5.519 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.278 2.382 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.670 2.156 0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.304 3.782 -0.114 1.00 0.00 H new ATOM 1352 N SER A 84 7.602 5.004 1.618 1.00 0.00 N ATOM 1353 CA SER A 84 8.309 5.657 2.713 1.00 0.00 C ATOM 1354 C SER A 84 7.665 6.998 3.052 1.00 0.00 C ATOM 1355 O SER A 84 7.588 7.893 2.210 1.00 0.00 O ATOM 1356 CB SER A 84 9.780 5.863 2.346 1.00 0.00 C ATOM 1357 OG SER A 84 9.911 6.398 1.041 1.00 0.00 O ATOM 0 H SER A 84 7.442 5.599 0.805 1.00 0.00 H new ATOM 0 HA SER A 84 8.247 5.012 3.590 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.247 6.535 3.066 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.310 4.912 2.407 1.00 0.00 H new ATOM 0 HG SER A 84 9.860 5.673 0.384 1.00 0.00 H new ATOM 1363 N ALA A 85 7.203 7.129 4.291 1.00 0.00 N ATOM 1364 CA ALA A 85 6.568 8.360 4.743 1.00 0.00 C ATOM 1365 C ALA A 85 7.607 9.428 5.066 1.00 0.00 C ATOM 1366 O ALA A 85 8.808 9.204 4.917 1.00 0.00 O ATOM 1367 CB ALA A 85 5.694 8.087 5.959 1.00 0.00 C ATOM 0 H ALA A 85 7.257 6.397 5.000 1.00 0.00 H new ATOM 0 HA ALA A 85 5.941 8.734 3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.226 9.015 6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.922 7.364 5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.308 7.686 6.766 1.00 0.00 H new ATOM 1373 N SER A 86 7.137 10.590 5.509 1.00 0.00 N ATOM 1374 CA SER A 86 8.026 11.695 5.849 1.00 0.00 C ATOM 1375 C SER A 86 7.997 11.974 7.348 1.00 0.00 C ATOM 1376 O SER A 86 9.041 12.124 7.983 1.00 0.00 O ATOM 1377 CB SER A 86 7.629 12.954 5.076 1.00 0.00 C ATOM 1378 OG SER A 86 8.589 13.982 5.247 1.00 0.00 O ATOM 0 H SER A 86 6.146 10.791 5.641 1.00 0.00 H new ATOM 0 HA SER A 86 9.041 11.411 5.570 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.530 12.718 4.017 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.654 13.302 5.418 1.00 0.00 H new ATOM 0 HG SER A 86 8.313 14.775 4.742 1.00 0.00 H new ATOM 1384 N ASP A 87 6.794 12.043 7.907 1.00 0.00 N ATOM 1385 CA ASP A 87 6.627 12.303 9.332 1.00 0.00 C ATOM 1386 C ASP A 87 5.842 11.180 10.002 1.00 0.00 C ATOM 1387 O ASP A 87 4.969 10.566 9.388 1.00 0.00 O ATOM 1388 CB ASP A 87 5.914 13.639 9.548 1.00 0.00 C ATOM 1389 CG ASP A 87 4.881 13.924 8.476 1.00 0.00 C ATOM 1390 OD1 ASP A 87 3.798 13.304 8.516 1.00 0.00 O ATOM 1391 OD2 ASP A 87 5.156 14.766 7.595 1.00 0.00 O ATOM 0 H ASP A 87 5.920 11.923 7.395 1.00 0.00 H new ATOM 0 HA ASP A 87 7.617 12.350 9.785 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.429 13.635 10.524 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.650 14.442 9.562 1.00 0.00 H new ATOM 1396 N LYS A 88 6.160 10.914 11.264 1.00 0.00 N ATOM 1397 CA LYS A 88 5.485 9.864 12.019 1.00 0.00 C ATOM 1398 C LYS A 88 3.978 9.912 11.790 1.00 0.00 C ATOM 1399 O LYS A 88 3.328 8.877 11.647 1.00 0.00 O ATOM 1400 CB LYS A 88 5.790 10.004 13.512 1.00 0.00 C ATOM 1401 CG LYS A 88 7.226 9.669 13.874 1.00 0.00 C ATOM 1402 CD LYS A 88 7.468 9.794 15.369 1.00 0.00 C ATOM 1403 CE LYS A 88 7.643 11.246 15.786 1.00 0.00 C ATOM 1404 NZ LYS A 88 7.685 11.396 17.267 1.00 0.00 N ATOM 0 H LYS A 88 6.881 11.411 11.786 1.00 0.00 H new ATOM 0 HA LYS A 88 5.857 8.902 11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.575 11.026 13.824 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.121 9.352 14.073 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.456 8.654 13.551 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.902 10.335 13.338 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.630 9.357 15.912 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.357 9.226 15.643 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.564 11.639 15.355 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.823 11.841 15.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.805 12.400 17.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.796 11.044 17.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.483 10.849 17.649 1.00 0.00 H new ATOM 1418 N LYS A 89 3.428 11.121 11.754 1.00 0.00 N ATOM 1419 CA LYS A 89 1.998 11.306 11.540 1.00 0.00 C ATOM 1420 C LYS A 89 1.540 10.586 10.275 1.00 0.00 C ATOM 1421 O LYS A 89 0.682 9.705 10.325 1.00 0.00 O ATOM 1422 CB LYS A 89 1.664 12.796 11.441 1.00 0.00 C ATOM 1423 CG LYS A 89 0.215 13.117 11.763 1.00 0.00 C ATOM 1424 CD LYS A 89 -0.091 12.898 13.235 1.00 0.00 C ATOM 1425 CE LYS A 89 -1.402 13.558 13.636 1.00 0.00 C ATOM 1426 NZ LYS A 89 -1.285 15.042 13.680 1.00 0.00 N ATOM 0 H LYS A 89 3.952 11.988 11.870 1.00 0.00 H new ATOM 0 HA LYS A 89 1.470 10.878 12.392 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.310 13.351 12.121 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.889 13.144 10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.003 14.152 11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.440 12.491 11.157 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.142 11.829 13.442 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.721 13.301 13.840 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.182 13.276 12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.710 13.189 14.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.098 15.439 14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.406 15.307 14.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.269 15.418 12.710 1.00 0.00 H new ATOM 1440 N LYS A 90 2.119 10.967 9.141 1.00 0.00 N ATOM 1441 CA LYS A 90 1.773 10.357 7.862 1.00 0.00 C ATOM 1442 C LYS A 90 1.972 8.846 7.909 1.00 0.00 C ATOM 1443 O LYS A 90 1.023 8.079 7.743 1.00 0.00 O ATOM 1444 CB LYS A 90 2.622 10.959 6.741 1.00 0.00 C ATOM 1445 CG LYS A 90 2.083 12.276 6.209 1.00 0.00 C ATOM 1446 CD LYS A 90 2.808 12.706 4.945 1.00 0.00 C ATOM 1447 CE LYS A 90 2.599 14.185 4.658 1.00 0.00 C ATOM 1448 NZ LYS A 90 3.313 14.617 3.425 1.00 0.00 N ATOM 0 H LYS A 90 2.830 11.696 9.082 1.00 0.00 H new ATOM 0 HA LYS A 90 0.721 10.561 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.637 11.113 7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.685 10.244 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.017 12.177 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.190 13.048 6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.874 12.501 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.450 12.116 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.533 14.387 4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.951 14.773 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.146 15.631 3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.333 14.448 3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.960 14.074 2.611 1.00 0.00 H new ATOM 1462 N LYS A 91 3.210 8.423 8.139 1.00 0.00 N ATOM 1463 CA LYS A 91 3.534 7.003 8.211 1.00 0.00 C ATOM 1464 C LYS A 91 2.420 6.226 8.904 1.00 0.00 C ATOM 1465 O LYS A 91 1.795 5.351 8.304 1.00 0.00 O ATOM 1466 CB LYS A 91 4.854 6.797 8.957 1.00 0.00 C ATOM 1467 CG LYS A 91 5.323 5.352 8.976 1.00 0.00 C ATOM 1468 CD LYS A 91 4.495 4.511 9.933 1.00 0.00 C ATOM 1469 CE LYS A 91 5.293 3.333 10.473 1.00 0.00 C ATOM 1470 NZ LYS A 91 4.693 2.782 11.719 1.00 0.00 N ATOM 0 H LYS A 91 4.007 9.044 8.279 1.00 0.00 H new ATOM 0 HA LYS A 91 3.637 6.627 7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.624 7.414 8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.740 7.147 9.983 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.257 4.934 7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.372 5.313 9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.153 5.131 10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.605 4.145 9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.342 2.550 9.716 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.317 3.649 10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.968 1.785 11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.034 3.324 12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.657 2.851 11.665 1.00 0.00 H new ATOM 1484 N GLN A 92 2.175 6.552 10.169 1.00 0.00 N ATOM 1485 CA GLN A 92 1.135 5.884 10.942 1.00 0.00 C ATOM 1486 C GLN A 92 -0.239 6.119 10.324 1.00 0.00 C ATOM 1487 O GLN A 92 -0.886 5.185 9.852 1.00 0.00 O ATOM 1488 CB GLN A 92 1.148 6.379 12.390 1.00 0.00 C ATOM 1489 CG GLN A 92 0.047 5.779 13.248 1.00 0.00 C ATOM 1490 CD GLN A 92 0.271 6.009 14.730 1.00 0.00 C ATOM 1491 OE1 GLN A 92 0.331 7.150 15.190 1.00 0.00 O ATOM 1492 NE2 GLN A 92 0.395 4.925 15.486 1.00 0.00 N ATOM 0 H GLN A 92 2.682 7.274 10.680 1.00 0.00 H new ATOM 0 HA GLN A 92 1.340 4.814 10.930 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.114 6.144 12.837 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.050 7.465 12.395 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.911 6.211 12.958 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.015 4.708 13.056 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.339 3.999 15.063 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.547 5.018 16.490 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.678 7.374 10.332 1.00 0.00 N ATOM 1502 CA GLU A 93 -1.977 7.731 9.773 1.00 0.00 C ATOM 1503 C GLU A 93 -2.268 6.921 8.513 1.00 0.00 C ATOM 1504 O GLU A 93 -3.418 6.580 8.234 1.00 0.00 O ATOM 1505 CB GLU A 93 -2.025 9.227 9.453 1.00 0.00 C ATOM 1506 CG GLU A 93 -1.985 10.115 10.686 1.00 0.00 C ATOM 1507 CD GLU A 93 -3.327 10.199 11.387 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -3.723 9.204 12.030 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -3.981 11.259 11.294 1.00 0.00 O ATOM 0 H GLU A 93 -0.154 8.159 10.719 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.740 7.501 10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.184 9.479 8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.934 9.441 8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.239 9.731 11.382 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.666 11.117 10.398 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.220 6.618 7.756 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.363 5.848 6.526 1.00 0.00 C ATOM 1518 C TRP A 94 -1.539 4.364 6.829 1.00 0.00 C ATOM 1519 O TRP A 94 -2.538 3.757 6.442 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.144 6.057 5.625 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.304 7.195 4.663 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.143 8.475 4.827 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.959 7.156 3.391 1.00 0.00 C ATOM 1524 NE1 TRP A 94 -0.194 9.234 3.732 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.869 8.448 2.837 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.609 6.155 2.664 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.408 8.762 1.592 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -2.143 6.469 1.429 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -2.040 7.763 0.902 1.00 0.00 C ATOM 0 H TRP A 94 -0.262 6.894 7.972 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.254 6.201 6.007 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.732 6.238 6.248 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.046 5.141 5.065 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.682 8.837 5.690 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.023 10.223 3.606 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.692 5.154 3.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.330 9.759 1.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.649 5.703 0.860 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.467 7.976 -0.067 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.563 3.787 7.522 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.612 2.374 7.878 1.00 0.00 C ATOM 1542 C ILE A 95 -1.928 2.026 8.566 1.00 0.00 C ATOM 1543 O ILE A 95 -2.577 1.039 8.221 1.00 0.00 O ATOM 1544 CB ILE A 95 0.556 1.986 8.803 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.865 1.931 8.012 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.280 0.648 9.472 1.00 0.00 C ATOM 1547 CD1 ILE A 95 3.046 1.459 8.830 1.00 0.00 C ATOM 0 H ILE A 95 0.271 4.276 7.848 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.531 1.811 6.948 1.00 0.00 H new ATOM 0 HB ILE A 95 0.653 2.745 9.579 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.736 1.266 7.158 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.082 2.923 7.614 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.115 0.387 10.123 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.633 0.718 10.063 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.160 -0.122 8.710 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.939 1.445 8.205 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.201 2.137 9.670 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.850 0.455 9.206 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.315 2.844 9.539 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.555 2.622 10.274 1.00 0.00 C ATOM 1561 C GLN A 96 -4.752 2.601 9.330 1.00 0.00 C ATOM 1562 O GLN A 96 -5.544 1.659 9.337 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.745 3.710 11.334 1.00 0.00 C ATOM 1564 CG GLN A 96 -2.735 3.638 12.467 1.00 0.00 C ATOM 1565 CD GLN A 96 -2.598 2.242 13.040 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -3.572 1.491 13.116 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -1.386 1.885 13.448 1.00 0.00 N ATOM 0 H GLN A 96 -1.789 3.666 9.837 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.488 1.652 10.766 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.674 4.687 10.856 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.750 3.630 11.749 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.764 3.974 12.104 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.034 4.324 13.259 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.607 2.539 13.366 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.234 0.957 13.843 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.877 3.645 8.518 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.977 3.745 7.566 1.00 0.00 C ATOM 1578 C ALA A 97 -6.030 2.521 6.658 1.00 0.00 C ATOM 1579 O ALA A 97 -7.033 1.808 6.619 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.844 5.014 6.738 1.00 0.00 C ATOM 0 H ALA A 97 -4.230 4.434 8.500 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.910 3.788 8.129 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.672 5.076 6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.864 5.882 7.397 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.901 4.995 6.191 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.945 2.284 5.928 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.869 1.146 5.021 1.00 0.00 C ATOM 1588 C ILE A 98 -5.268 -0.146 5.725 1.00 0.00 C ATOM 1589 O ILE A 98 -6.062 -0.930 5.203 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.452 0.984 4.440 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -3.041 2.247 3.680 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.389 -0.233 3.528 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.551 2.506 3.700 1.00 0.00 C ATOM 0 H ILE A 98 -4.107 2.865 5.947 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.567 1.344 4.207 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.753 0.834 5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.373 2.163 2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.557 3.105 4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.381 -0.334 3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.644 -1.127 4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.097 -0.110 2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.332 3.417 3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.216 2.622 4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.029 1.666 3.242 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.715 -0.361 6.914 1.00 0.00 N ATOM 1606 CA HIS A 99 -5.015 -1.558 7.692 1.00 0.00 C ATOM 1607 C HIS A 99 -6.518 -1.699 7.913 1.00 0.00 C ATOM 1608 O HIS A 99 -7.084 -2.776 7.727 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.292 -1.511 9.038 1.00 0.00 C ATOM 1610 CG HIS A 99 -3.970 -2.865 9.592 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -2.834 -3.126 10.329 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.643 -4.037 9.514 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -2.822 -4.400 10.679 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -3.908 -4.975 10.197 1.00 0.00 N ATOM 0 H HIS A 99 -4.057 0.278 7.360 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.665 -2.424 7.130 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.368 -0.944 8.925 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.911 -0.972 9.755 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.583 -4.203 9.009 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.054 -4.888 11.261 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.160 -5.956 10.313 1.00 0.00 H new ATOM 1623 N SER A 100 -7.159 -0.604 8.310 1.00 0.00 N ATOM 1624 CA SER A 100 -8.595 -0.607 8.561 1.00 0.00 C ATOM 1625 C SER A 100 -9.371 -0.856 7.271 1.00 0.00 C ATOM 1626 O SER A 100 -10.298 -1.666 7.236 1.00 0.00 O ATOM 1627 CB SER A 100 -9.029 0.722 9.181 1.00 0.00 C ATOM 1628 OG SER A 100 -8.329 0.974 10.388 1.00 0.00 O ATOM 0 H SER A 100 -6.706 0.297 8.465 1.00 0.00 H new ATOM 0 HA SER A 100 -8.815 -1.414 9.259 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.847 1.533 8.475 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.101 0.703 9.376 1.00 0.00 H new ATOM 0 HG SER A 100 -7.396 1.193 10.185 1.00 0.00 H new ATOM 1634 N THR A 101 -8.984 -0.154 6.210 1.00 0.00 N ATOM 1635 CA THR A 101 -9.643 -0.296 4.918 1.00 0.00 C ATOM 1636 C THR A 101 -9.743 -1.762 4.510 1.00 0.00 C ATOM 1637 O THR A 101 -10.793 -2.219 4.056 1.00 0.00 O ATOM 1638 CB THR A 101 -8.895 0.480 3.818 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.825 1.869 4.159 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.589 0.317 2.473 1.00 0.00 C ATOM 0 H THR A 101 -8.217 0.519 6.221 1.00 0.00 H new ATOM 0 HA THR A 101 -10.645 0.118 5.027 1.00 0.00 H new ATOM 0 HB THR A 101 -7.886 0.074 3.740 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.214 1.990 4.916 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.043 0.874 1.712 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.614 -0.739 2.202 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.608 0.699 2.541 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.647 -2.494 4.677 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.614 -3.909 4.328 1.00 0.00 C ATOM 1650 C ILE A 102 -9.538 -4.720 5.231 1.00 0.00 C ATOM 1651 O ILE A 102 -10.277 -5.586 4.763 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.187 -4.480 4.428 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.252 -3.744 3.467 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.192 -5.972 4.132 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.786 -3.914 3.801 1.00 0.00 C ATOM 0 H ILE A 102 -7.770 -2.131 5.052 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.957 -3.988 3.296 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.822 -4.332 5.445 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.429 -4.104 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.498 -2.682 3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.177 -6.361 4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.830 -6.484 4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.573 -6.142 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.182 -3.365 3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.594 -3.528 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.525 -4.972 3.764 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.492 -4.431 6.527 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.328 -5.132 7.496 1.00 0.00 C ATOM 1669 C HIS A 103 -11.780 -5.173 7.032 1.00 0.00 C ATOM 1670 O HIS A 103 -12.463 -6.187 7.184 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.236 -4.454 8.864 1.00 0.00 C ATOM 1672 CG HIS A 103 -11.145 -5.055 9.892 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.492 -5.191 9.912 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -10.689 -5.603 11.072 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -12.821 -5.813 11.091 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -11.715 -6.051 11.773 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.886 -3.717 6.931 1.00 0.00 H new ATOM 0 HA HIS A 103 -9.964 -6.156 7.580 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.208 -4.513 9.221 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.475 -3.396 8.753 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.654 -5.658 11.376 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -13.821 -6.066 11.409 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.662 -6.504 12.686 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.247 -4.066 6.466 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.620 -3.975 5.980 1.00 0.00 C ATOM 1687 C LEU A 104 -13.898 -5.047 4.932 1.00 0.00 C ATOM 1688 O LEU A 104 -15.021 -5.540 4.815 1.00 0.00 O ATOM 1689 CB LEU A 104 -13.882 -2.588 5.390 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.597 -1.402 6.311 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.612 -0.100 5.525 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.609 -1.353 7.447 1.00 0.00 C ATOM 0 H LEU A 104 -11.695 -3.219 6.332 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.290 -4.136 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.276 -2.478 4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -14.926 -2.539 5.080 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.604 -1.531 6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.407 0.733 6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.849 -0.135 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.591 0.037 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.390 -0.502 8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.613 -1.248 7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.549 -2.274 8.027 1.00 0.00 H new ATOM 1704 N LEU A 105 -12.869 -5.406 4.173 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.001 -6.423 3.135 1.00 0.00 C ATOM 1706 C LEU A 105 -12.997 -7.823 3.740 1.00 0.00 C ATOM 1707 O LEU A 105 -13.580 -8.754 3.184 1.00 0.00 O ATOM 1708 CB LEU A 105 -11.867 -6.292 2.117 1.00 0.00 C ATOM 1709 CG LEU A 105 -11.969 -5.115 1.146 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.623 -4.844 0.492 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -13.032 -5.385 0.091 1.00 0.00 C ATOM 0 H LEU A 105 -11.934 -5.008 4.257 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.954 -6.268 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.926 -6.208 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.819 -7.213 1.536 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.261 -4.229 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.715 -4.003 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.887 -4.606 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.301 -5.728 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.091 -4.537 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.770 -6.283 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.998 -5.528 0.576 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.337 -7.965 4.885 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.259 -9.250 5.569 1.00 0.00 C ATOM 1725 C LYS A 106 -13.646 -9.732 5.982 1.00 0.00 C ATOM 1726 O LYS A 106 -13.965 -10.916 5.860 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.358 -9.141 6.801 1.00 0.00 C ATOM 1728 CG LYS A 106 -9.928 -8.746 6.476 1.00 0.00 C ATOM 1729 CD LYS A 106 -9.055 -8.738 7.720 1.00 0.00 C ATOM 1730 CE LYS A 106 -7.695 -8.116 7.443 1.00 0.00 C ATOM 1731 NZ LYS A 106 -7.072 -7.571 8.680 1.00 0.00 N ATOM 0 H LYS A 106 -11.848 -7.205 5.359 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.832 -9.976 4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.782 -8.407 7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.352 -10.098 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.515 -9.441 5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.918 -7.757 6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.555 -8.183 8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.923 -9.758 8.080 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.036 -8.865 7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.804 -7.318 6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.147 -7.156 8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.689 -6.838 9.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.945 -8.338 9.371 1.00 0.00 H new