USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 591 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 39 HIS : no HD1:sc= -2.89! C(o=-4.3!,f=-5!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -1.45 K(o=-4.3,f=-5.3!) USER MOD Set 2.1: A 49 GLN : amide:sc= -0.562 K(o=-1.4,f=-2.7) USER MOD Set 2.2: A 57 ASN :FLIP amide:sc= -0.794 F(o=-2,f=-1.4) USER MOD Set 3.1: A 21 THR OG1 : rot 79:sc= 0.393 USER MOD Set 3.2: A 33 THR OG1 : rot -34:sc= 0.315 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : A 13 GLN : amide:sc= -0.393 K(o=-0.39,f=-1.8!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= 0.0308 K(o=0.031,f=-2) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.236 F(o=-1.5,f=-0.24) USER MOD Single : A 20 SER OG : rot -98:sc= 1.12 USER MOD Single : A 26 HIS : no HE2:sc= -0.389 K(o=-0.39,f=-1) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= -0.104 (180deg=-0.91) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 105:sc= 0.868 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0855 USER MOD Single : A 71 SER OG : rot -22:sc= 0.202 USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.023) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.681 K(o=-0.68,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -1.346 -7.207 -14.570 1.00 10.00 N ATOM 30 CA LYS A 5 -2.244 -8.197 -14.014 1.00 10.00 C ATOM 31 C LYS A 5 -3.002 -7.497 -12.891 1.00 10.00 C ATOM 32 O LYS A 5 -2.588 -6.419 -12.456 1.00 10.00 O ATOM 33 CB LYS A 5 -1.460 -9.429 -13.529 1.00 10.00 C ATOM 34 CG LYS A 5 -0.435 -9.117 -12.422 1.00 10.00 C ATOM 35 CD LYS A 5 1.021 -9.085 -12.908 1.00 10.00 C ATOM 36 CE LYS A 5 1.607 -10.502 -13.021 1.00 10.00 C ATOM 37 NZ LYS A 5 3.073 -10.487 -13.219 1.00 10.00 N ATOM 0 HA LYS A 5 -2.947 -8.577 -14.755 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -2.165 -10.174 -13.159 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.940 -9.875 -14.377 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -0.679 -8.153 -11.976 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -0.528 -9.865 -11.634 1.00 10.00 H new ATOM 0 HD2 LYS A 5 1.071 -8.591 -13.878 1.00 10.00 H new ATOM 0 HD3 LYS A 5 1.624 -8.495 -12.218 1.00 10.00 H new ATOM 0 HE2 LYS A 5 1.370 -11.064 -12.118 1.00 10.00 H new ATOM 0 HE3 LYS A 5 1.135 -11.023 -13.854 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 3.424 -11.464 -13.290 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 3.300 -9.973 -14.094 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 3.527 -10.014 -12.412 1.00 10.00 H new ATOM 51 N TYR A 6 -4.097 -8.096 -12.430 1.00 10.00 N ATOM 52 CA TYR A 6 -4.906 -7.563 -11.363 1.00 10.00 C ATOM 53 C TYR A 6 -4.956 -8.589 -10.234 1.00 10.00 C ATOM 54 O TYR A 6 -4.713 -9.769 -10.485 1.00 10.00 O ATOM 55 CB TYR A 6 -6.300 -7.260 -11.905 1.00 10.00 C ATOM 56 CG TYR A 6 -6.356 -6.419 -13.166 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.159 -7.016 -14.425 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.633 -5.044 -13.087 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.102 -6.218 -15.580 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.580 -4.244 -14.242 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.275 -4.827 -15.483 1.00 10.00 C ATOM 62 OH TYR A 6 -6.148 -4.051 -16.596 1.00 10.00 O ATOM 0 H TYR A 6 -4.444 -8.980 -12.801 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.484 -6.637 -10.972 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.805 -8.206 -12.100 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.868 -6.750 -11.127 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.052 -8.088 -14.503 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -6.887 -4.600 -12.136 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -5.925 -6.674 -16.543 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -6.773 -3.184 -14.175 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.299 -3.112 -16.359 1.00 10.00 H new ATOM 72 N TYR A 7 -5.260 -8.152 -9.009 1.00 10.00 N ATOM 73 CA TYR A 7 -5.295 -9.017 -7.836 1.00 10.00 C ATOM 74 C TYR A 7 -6.615 -8.811 -7.099 1.00 10.00 C ATOM 75 O TYR A 7 -7.105 -7.684 -7.009 1.00 10.00 O ATOM 76 CB TYR A 7 -4.104 -8.706 -6.923 1.00 10.00 C ATOM 77 CG TYR A 7 -2.754 -8.696 -7.615 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.276 -7.512 -8.206 1.00 10.00 C ATOM 79 CD2 TYR A 7 -1.984 -9.871 -7.682 1.00 10.00 C ATOM 80 CE1 TYR A 7 -1.039 -7.508 -8.875 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.741 -9.861 -8.337 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.258 -8.677 -8.914 1.00 10.00 C ATOM 83 OH TYR A 7 0.985 -8.667 -9.476 1.00 10.00 O ATOM 0 H TYR A 7 -5.490 -7.179 -8.806 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.223 -10.060 -8.143 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.265 -7.733 -6.459 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.079 -9.442 -6.120 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.860 -6.605 -8.146 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.348 -10.782 -7.230 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.689 -6.608 -9.358 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.156 -10.767 -8.396 1.00 10.00 H new ATOM 0 HH TYR A 7 1.380 -9.562 -9.413 1.00 10.00 H new ATOM 93 N THR A 8 -7.212 -9.903 -6.619 1.00 10.00 N ATOM 94 CA THR A 8 -8.449 -9.888 -5.857 1.00 10.00 C ATOM 95 C THR A 8 -8.156 -9.494 -4.412 1.00 10.00 C ATOM 96 O THR A 8 -7.078 -9.813 -3.899 1.00 10.00 O ATOM 97 CB THR A 8 -9.059 -11.294 -5.893 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.055 -12.223 -5.551 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.581 -11.666 -7.282 1.00 10.00 C ATOM 0 H THR A 8 -6.835 -10.841 -6.756 1.00 10.00 H new ATOM 0 HA THR A 8 -9.144 -9.167 -6.287 1.00 10.00 H new ATOM 0 HB THR A 8 -9.896 -11.310 -5.194 1.00 10.00 H new ATOM 0 HG1 THR A 8 -8.428 -13.129 -5.567 1.00 10.00 H new ATOM 0 HG21 THR A 8 -10.003 -12.671 -7.255 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.352 -10.957 -7.583 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.761 -11.636 -7.999 1.00 10.00 H new ATOM 107 N LEU A 9 -9.129 -8.857 -3.750 1.00 10.00 N ATOM 108 CA LEU A 9 -9.006 -8.380 -2.380 1.00 10.00 C ATOM 109 C LEU A 9 -8.450 -9.477 -1.478 1.00 10.00 C ATOM 110 O LEU A 9 -7.597 -9.203 -0.648 1.00 10.00 O ATOM 111 CB LEU A 9 -10.368 -7.882 -1.864 1.00 10.00 C ATOM 112 CG LEU A 9 -10.285 -6.496 -1.195 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.665 -6.002 -0.741 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.350 -6.459 0.023 1.00 10.00 C ATOM 0 H LEU A 9 -10.039 -8.658 -4.165 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.307 -7.544 -2.363 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.072 -7.837 -2.695 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.765 -8.602 -1.149 1.00 10.00 H new ATOM 0 HG LEU A 9 -9.879 -5.843 -1.968 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.565 -5.022 -0.274 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.327 -5.927 -1.604 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.085 -6.705 -0.022 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.340 -5.453 0.444 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.704 -7.164 0.775 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.341 -6.734 -0.284 1.00 10.00 H new ATOM 126 N GLU A 10 -8.915 -10.716 -1.662 1.00 10.00 N ATOM 127 CA GLU A 10 -8.456 -11.876 -0.907 1.00 10.00 C ATOM 128 C GLU A 10 -6.938 -12.068 -1.014 1.00 10.00 C ATOM 129 O GLU A 10 -6.219 -12.024 -0.017 1.00 10.00 O ATOM 130 CB GLU A 10 -9.203 -13.123 -1.387 1.00 10.00 C ATOM 131 CG GLU A 10 -9.052 -14.277 -0.386 1.00 10.00 C ATOM 132 CD GLU A 10 -9.777 -13.995 0.925 1.00 10.00 C ATOM 133 OE1 GLU A 10 -11.025 -13.983 0.888 1.00 10.00 O ATOM 134 OE2 GLU A 10 -9.064 -13.784 1.929 1.00 10.00 O ATOM 0 H GLU A 10 -9.632 -10.940 -2.352 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.675 -11.707 0.147 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.259 -12.889 -1.521 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.819 -13.429 -2.360 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.444 -15.193 -0.827 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.994 -14.447 -0.186 1.00 10.00 H new ATOM 141 N GLU A 11 -6.435 -12.292 -2.230 1.00 10.00 N ATOM 142 CA GLU A 11 -5.003 -12.446 -2.454 1.00 10.00 C ATOM 143 C GLU A 11 -4.253 -11.273 -1.823 1.00 10.00 C ATOM 144 O GLU A 11 -3.292 -11.464 -1.085 1.00 10.00 O ATOM 145 CB GLU A 11 -4.673 -12.565 -3.953 1.00 10.00 C ATOM 146 CG GLU A 11 -4.077 -13.938 -4.291 1.00 10.00 C ATOM 147 CD GLU A 11 -5.089 -15.064 -4.120 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.084 -15.035 -4.873 1.00 10.00 O ATOM 149 OE2 GLU A 11 -4.847 -15.922 -3.239 1.00 10.00 O ATOM 0 H GLU A 11 -7.003 -12.370 -3.074 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.680 -13.373 -1.980 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.578 -12.406 -4.539 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.969 -11.782 -4.235 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -3.714 -13.931 -5.319 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.216 -14.126 -3.650 1.00 10.00 H new ATOM 156 N ILE A 12 -4.708 -10.048 -2.086 1.00 10.00 N ATOM 157 CA ILE A 12 -4.062 -8.869 -1.528 1.00 10.00 C ATOM 158 C ILE A 12 -4.074 -8.927 0.010 1.00 10.00 C ATOM 159 O ILE A 12 -3.047 -8.696 0.641 1.00 10.00 O ATOM 160 CB ILE A 12 -4.727 -7.598 -2.087 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.715 -7.548 -3.628 1.00 10.00 C ATOM 162 CG2 ILE A 12 -3.995 -6.347 -1.584 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.859 -6.675 -4.153 1.00 10.00 C ATOM 0 H ILE A 12 -5.515 -9.851 -2.678 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.014 -8.843 -1.828 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.760 -7.623 -1.739 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.761 -7.153 -3.976 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.808 -8.557 -4.030 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.477 -5.457 -1.988 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.032 -6.317 -0.495 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.956 -6.377 -1.911 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.831 -6.654 -5.242 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.812 -7.087 -3.823 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.749 -5.661 -3.768 1.00 10.00 H new ATOM 175 N GLN A 13 -5.211 -9.282 0.614 1.00 10.00 N ATOM 176 CA GLN A 13 -5.372 -9.509 2.042 1.00 10.00 C ATOM 177 C GLN A 13 -4.338 -10.515 2.537 1.00 10.00 C ATOM 178 O GLN A 13 -3.711 -10.288 3.566 1.00 10.00 O ATOM 179 CB GLN A 13 -6.809 -9.955 2.358 1.00 10.00 C ATOM 180 CG GLN A 13 -7.775 -8.780 2.592 1.00 10.00 C ATOM 181 CD GLN A 13 -8.265 -8.654 4.039 1.00 10.00 C ATOM 182 OE1 GLN A 13 -7.754 -9.289 4.956 1.00 10.00 O ATOM 183 NE2 GLN A 13 -9.298 -7.845 4.259 1.00 10.00 N ATOM 0 H GLN A 13 -6.077 -9.424 0.095 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.200 -8.573 2.574 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.182 -10.564 1.535 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.798 -10.589 3.244 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.279 -7.853 2.305 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.638 -8.896 1.936 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.711 -7.324 3.486 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -9.676 -7.746 5.201 1.00 10.00 H new ATOM 192 N LYS A 14 -4.096 -11.603 1.802 1.00 10.00 N ATOM 193 CA LYS A 14 -3.063 -12.553 2.188 1.00 10.00 C ATOM 194 C LYS A 14 -1.678 -11.884 2.291 1.00 10.00 C ATOM 195 O LYS A 14 -0.846 -12.300 3.097 1.00 10.00 O ATOM 196 CB LYS A 14 -3.086 -13.782 1.264 1.00 10.00 C ATOM 197 CG LYS A 14 -4.453 -14.493 1.330 1.00 10.00 C ATOM 198 CD LYS A 14 -4.326 -16.022 1.388 1.00 10.00 C ATOM 199 CE LYS A 14 -4.152 -16.618 -0.018 1.00 10.00 C ATOM 200 NZ LYS A 14 -3.694 -18.021 0.029 1.00 10.00 N ATOM 0 H LYS A 14 -4.598 -11.842 0.947 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.281 -12.914 3.193 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.880 -13.475 0.239 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.296 -14.475 1.554 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.997 -14.145 2.208 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -5.045 -14.215 0.458 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.474 -16.296 2.010 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -5.213 -16.446 1.858 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.099 -16.564 -0.555 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -3.433 -16.021 -0.579 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -3.589 -18.385 -0.940 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -2.778 -18.071 0.518 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -4.392 -18.597 0.542 1.00 10.00 H new ATOM 214 N HIS A 15 -1.426 -10.821 1.521 1.00 10.00 N ATOM 215 CA HIS A 15 -0.157 -10.108 1.513 1.00 10.00 C ATOM 216 C HIS A 15 -0.219 -8.963 2.531 1.00 10.00 C ATOM 217 O HIS A 15 -0.373 -7.793 2.174 1.00 10.00 O ATOM 218 CB HIS A 15 0.210 -9.639 0.092 1.00 10.00 C ATOM 219 CG HIS A 15 0.481 -10.737 -0.914 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.445 -10.700 -1.897 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.221 -11.900 -1.091 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.325 -11.815 -2.637 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.339 -12.592 -2.168 1.00 10.00 N ATOM 0 H HIS A 15 -2.113 -10.430 0.877 1.00 10.00 H new ATOM 0 HA HIS A 15 0.648 -10.778 1.815 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.602 -9.018 -0.286 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.094 -9.004 0.156 1.00 10.00 H new ATOM 0 HD1 HIS A 15 2.129 -9.957 -2.038 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.063 -12.226 -0.499 1.00 10.00 H new ATOM 0 HE1 HIS A 15 1.939 -12.053 -3.493 1.00 10.00 H new ATOM 231 N ASN A 16 -0.054 -9.311 3.814 1.00 10.00 N ATOM 232 CA ASN A 16 -0.047 -8.338 4.910 1.00 10.00 C ATOM 233 C ASN A 16 0.735 -8.800 6.140 1.00 10.00 C ATOM 234 O ASN A 16 0.606 -8.206 7.207 1.00 10.00 O ATOM 235 CB ASN A 16 -1.486 -7.993 5.315 1.00 10.00 C ATOM 236 CG ASN A 16 -2.128 -9.076 6.184 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.146 -10.314 5.701 1.00 10.00 O flip ATOM 238 ND2 ASN A 16 -2.587 -8.818 7.290 1.00 10.00 N flip ATOM 0 H ASN A 16 0.078 -10.275 4.119 1.00 10.00 H new ATOM 0 HA ASN A 16 0.466 -7.456 4.528 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.490 -7.047 5.857 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.087 -7.849 4.418 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -2.563 -7.861 7.642 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -2.993 -9.560 7.859 1.00 10.00 H new ATOM 292 N SER A 20 4.341 -10.101 2.101 1.00 10.00 N ATOM 293 CA SER A 20 4.602 -8.813 1.482 1.00 10.00 C ATOM 294 C SER A 20 3.535 -7.876 2.049 1.00 10.00 C ATOM 295 O SER A 20 2.410 -8.318 2.223 1.00 10.00 O ATOM 296 CB SER A 20 4.490 -8.918 -0.049 1.00 10.00 C ATOM 297 OG SER A 20 5.014 -7.792 -0.721 1.00 10.00 O ATOM 0 HA SER A 20 5.608 -8.451 1.692 1.00 10.00 H new ATOM 0 HB2 SER A 20 5.016 -9.812 -0.385 1.00 10.00 H new ATOM 0 HB3 SER A 20 3.442 -9.042 -0.323 1.00 10.00 H new ATOM 0 HG SER A 20 4.284 -7.180 -0.952 1.00 10.00 H new ATOM 303 N THR A 21 3.861 -6.631 2.379 1.00 10.00 N ATOM 304 CA THR A 21 2.904 -5.601 2.768 1.00 10.00 C ATOM 305 C THR A 21 2.253 -4.992 1.520 1.00 10.00 C ATOM 306 O THR A 21 2.815 -4.065 0.933 1.00 10.00 O ATOM 307 CB THR A 21 3.653 -4.544 3.591 1.00 10.00 C ATOM 308 OG1 THR A 21 4.375 -5.209 4.621 1.00 10.00 O ATOM 309 CG2 THR A 21 2.712 -3.496 4.184 1.00 10.00 C ATOM 0 H THR A 21 4.826 -6.301 2.383 1.00 10.00 H new ATOM 0 HA THR A 21 2.103 -6.024 3.374 1.00 10.00 H new ATOM 0 HB THR A 21 4.335 -4.006 2.933 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.196 -5.594 4.249 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.290 -2.771 4.757 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.184 -2.985 3.379 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.990 -3.984 4.839 1.00 10.00 H new ATOM 317 N TRP A 22 1.090 -5.513 1.106 1.00 10.00 N ATOM 318 CA TRP A 22 0.292 -4.953 0.017 1.00 10.00 C ATOM 319 C TRP A 22 -0.933 -4.244 0.588 1.00 10.00 C ATOM 320 O TRP A 22 -1.135 -4.259 1.795 1.00 10.00 O ATOM 321 CB TRP A 22 -0.155 -6.072 -0.922 1.00 10.00 C ATOM 322 CG TRP A 22 0.898 -6.744 -1.745 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.232 -6.607 -1.605 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.714 -7.628 -2.886 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.887 -7.344 -2.564 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.997 -7.975 -3.404 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.411 -8.172 -3.536 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.154 -8.810 -4.519 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.267 -9.029 -4.641 1.00 10.00 C ATOM 330 CH2 TRP A 22 1.011 -9.329 -5.147 1.00 10.00 C ATOM 0 H TRP A 22 0.676 -6.345 1.526 1.00 10.00 H new ATOM 0 HA TRP A 22 0.897 -4.236 -0.538 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.652 -6.835 -0.323 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.903 -5.663 -1.601 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.716 -6.006 -0.850 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.902 -7.414 -2.643 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.401 -7.927 -3.180 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.140 -9.050 -4.889 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.142 -9.460 -5.104 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.113 -9.959 -6.019 1.00 10.00 H new ATOM 341 N LEU A 23 -1.756 -3.626 -0.265 1.00 10.00 N ATOM 342 CA LEU A 23 -2.949 -2.870 0.104 1.00 10.00 C ATOM 343 C LEU A 23 -3.588 -2.327 -1.164 1.00 10.00 C ATOM 344 O LEU A 23 -2.969 -2.408 -2.225 1.00 10.00 O ATOM 345 CB LEU A 23 -2.633 -1.726 1.075 1.00 10.00 C ATOM 346 CG LEU A 23 -1.334 -0.971 0.754 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.492 0.006 -0.409 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.901 -0.198 1.988 1.00 10.00 C ATOM 0 H LEU A 23 -1.599 -3.642 -1.273 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.637 -3.538 0.622 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.463 -1.019 1.069 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.566 -2.130 2.085 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.588 -1.710 0.462 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.543 0.511 -0.591 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.791 -0.539 -1.304 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -2.255 0.745 -0.163 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.021 0.343 1.774 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.681 0.511 2.266 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.731 -0.892 2.811 1.00 10.00 H new ATOM 360 N ILE A 24 -4.801 -1.776 -1.048 1.00 10.00 N ATOM 361 CA ILE A 24 -5.518 -1.153 -2.152 1.00 10.00 C ATOM 362 C ILE A 24 -5.660 0.336 -1.864 1.00 10.00 C ATOM 363 O ILE A 24 -6.162 0.721 -0.803 1.00 10.00 O ATOM 364 CB ILE A 24 -6.885 -1.816 -2.343 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.698 -3.255 -2.837 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.735 -1.051 -3.372 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.884 -4.109 -2.381 1.00 10.00 C ATOM 0 H ILE A 24 -5.316 -1.753 -0.168 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.961 -1.285 -3.080 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.398 -1.807 -1.381 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.622 -3.271 -3.924 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.768 -3.667 -2.446 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.700 -1.545 -3.486 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.890 -0.028 -3.028 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.219 -1.037 -4.332 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.752 -5.132 -2.732 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.939 -4.103 -1.292 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.806 -3.700 -2.794 1.00 10.00 H new ATOM 379 N LEU A 25 -5.184 1.143 -2.817 1.00 10.00 N ATOM 380 CA LEU A 25 -5.205 2.595 -2.823 1.00 10.00 C ATOM 381 C LEU A 25 -5.826 3.002 -4.159 1.00 10.00 C ATOM 382 O LEU A 25 -5.148 3.043 -5.183 1.00 10.00 O ATOM 383 CB LEU A 25 -3.760 3.103 -2.698 1.00 10.00 C ATOM 384 CG LEU A 25 -3.279 3.673 -1.368 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.821 2.865 -0.216 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.748 3.760 -1.357 1.00 10.00 C ATOM 0 H LEU A 25 -4.746 0.766 -3.658 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.779 3.017 -1.998 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -3.099 2.276 -2.958 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.618 3.874 -3.455 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.663 4.686 -1.248 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.466 3.288 0.724 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.911 2.888 -0.236 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.479 1.834 -0.302 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.414 4.168 -0.403 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.326 2.764 -1.494 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.415 4.409 -2.166 1.00 10.00 H new ATOM 398 N HIS A 26 -7.128 3.283 -4.160 1.00 10.00 N ATOM 399 CA HIS A 26 -7.857 3.748 -5.339 1.00 10.00 C ATOM 400 C HIS A 26 -7.835 2.677 -6.434 1.00 10.00 C ATOM 401 O HIS A 26 -7.348 2.913 -7.546 1.00 10.00 O ATOM 402 CB HIS A 26 -7.336 5.101 -5.855 1.00 10.00 C ATOM 403 CG HIS A 26 -7.129 6.146 -4.790 1.00 10.00 C ATOM 404 ND1 HIS A 26 -8.061 7.045 -4.320 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.961 6.369 -4.115 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.457 7.791 -3.377 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.175 7.419 -3.219 1.00 10.00 N ATOM 0 H HIS A 26 -7.714 3.193 -3.330 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.892 3.916 -5.043 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.391 4.937 -6.372 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -8.039 5.488 -6.592 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -9.029 7.129 -4.629 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -5.036 5.828 -4.251 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.938 8.583 -2.821 1.00 10.00 H new ATOM 415 N TYR A 27 -8.355 1.496 -6.083 1.00 10.00 N ATOM 416 CA TYR A 27 -8.485 0.334 -6.955 1.00 10.00 C ATOM 417 C TYR A 27 -7.144 -0.107 -7.536 1.00 10.00 C ATOM 418 O TYR A 27 -7.096 -0.695 -8.615 1.00 10.00 O ATOM 419 CB TYR A 27 -9.522 0.609 -8.055 1.00 10.00 C ATOM 420 CG TYR A 27 -10.883 1.052 -7.553 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.512 0.355 -6.506 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.552 2.122 -8.175 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.827 0.667 -6.135 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.850 2.472 -7.764 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.494 1.734 -6.757 1.00 10.00 C ATOM 426 OH TYR A 27 -14.764 2.056 -6.387 1.00 10.00 O ATOM 0 H TYR A 27 -8.710 1.321 -5.143 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.840 -0.500 -6.350 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -9.129 1.377 -8.721 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.647 -0.295 -8.650 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.978 -0.426 -5.984 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.069 2.674 -8.968 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.326 0.088 -5.372 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.353 3.310 -8.223 1.00 10.00 H new ATOM 0 HH TYR A 27 -15.075 2.819 -6.917 1.00 10.00 H new ATOM 436 N LYS A 28 -6.054 0.159 -6.815 1.00 10.00 N ATOM 437 CA LYS A 28 -4.717 -0.042 -7.324 1.00 10.00 C ATOM 438 C LYS A 28 -3.840 -0.606 -6.218 1.00 10.00 C ATOM 439 O LYS A 28 -3.897 -0.117 -5.087 1.00 10.00 O ATOM 440 CB LYS A 28 -4.220 1.290 -7.888 1.00 10.00 C ATOM 441 CG LYS A 28 -3.387 1.128 -9.159 1.00 10.00 C ATOM 442 CD LYS A 28 -3.968 1.936 -10.332 1.00 10.00 C ATOM 443 CE LYS A 28 -3.879 3.453 -10.122 1.00 10.00 C ATOM 444 NZ LYS A 28 -5.152 4.042 -9.644 1.00 10.00 N ATOM 0 H LYS A 28 -6.084 0.520 -5.862 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.690 -0.770 -8.135 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -5.076 1.930 -8.101 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -3.622 1.798 -7.131 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.364 1.452 -8.966 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -3.342 0.074 -9.432 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.437 1.670 -11.246 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.011 1.656 -10.476 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.090 3.670 -9.401 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.593 3.929 -11.060 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.231 5.021 -9.985 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.951 3.483 -10.007 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -5.169 4.035 -8.604 1.00 10.00 H new ATOM 458 N VAL A 29 -3.093 -1.668 -6.540 1.00 10.00 N ATOM 459 CA VAL A 29 -2.299 -2.407 -5.574 1.00 10.00 C ATOM 460 C VAL A 29 -0.845 -1.938 -5.627 1.00 10.00 C ATOM 461 O VAL A 29 -0.267 -1.781 -6.709 1.00 10.00 O ATOM 462 CB VAL A 29 -2.414 -3.922 -5.811 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.994 -4.691 -4.551 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.838 -4.346 -6.168 1.00 10.00 C ATOM 0 H VAL A 29 -3.028 -2.035 -7.489 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.685 -2.208 -4.574 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.756 -4.155 -6.648 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.080 -5.762 -4.733 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.961 -4.447 -4.303 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.642 -4.411 -3.721 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.868 -5.424 -6.326 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.512 -4.080 -5.354 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.151 -3.837 -7.080 1.00 10.00 H new ATOM 474 N TYR A 30 -0.262 -1.724 -4.447 1.00 10.00 N ATOM 475 CA TYR A 30 1.095 -1.237 -4.269 1.00 10.00 C ATOM 476 C TYR A 30 1.827 -2.197 -3.345 1.00 10.00 C ATOM 477 O TYR A 30 1.350 -2.430 -2.235 1.00 10.00 O ATOM 478 CB TYR A 30 1.043 0.159 -3.644 1.00 10.00 C ATOM 479 CG TYR A 30 0.348 1.172 -4.522 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.069 1.814 -5.538 1.00 10.00 C ATOM 481 CD2 TYR A 30 -1.039 1.362 -4.425 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.421 2.703 -6.413 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.685 2.256 -5.294 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.961 2.913 -6.298 1.00 10.00 C ATOM 485 OH TYR A 30 -1.604 3.704 -7.204 1.00 10.00 O ATOM 0 H TYR A 30 -0.742 -1.892 -3.563 1.00 10.00 H new ATOM 0 HA TYR A 30 1.616 -1.179 -5.225 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.528 0.103 -2.685 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.059 0.498 -3.441 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.127 1.625 -5.649 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.609 0.822 -3.683 1.00 10.00 H new ATOM 0 HE1 TYR A 30 0.986 3.223 -7.172 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.744 2.438 -5.188 1.00 10.00 H new ATOM 0 HH TYR A 30 -2.558 3.745 -6.983 1.00 10.00 H new ATOM 495 N ASP A 31 2.967 -2.735 -3.786 1.00 10.00 N ATOM 496 CA ASP A 31 3.853 -3.468 -2.894 1.00 10.00 C ATOM 497 C ASP A 31 4.860 -2.479 -2.333 1.00 10.00 C ATOM 498 O ASP A 31 5.677 -1.948 -3.082 1.00 10.00 O ATOM 499 CB ASP A 31 4.593 -4.594 -3.616 1.00 10.00 C ATOM 500 CG ASP A 31 5.598 -5.270 -2.685 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.506 -5.036 -1.456 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.435 -6.028 -3.214 1.00 10.00 O ATOM 0 H ASP A 31 3.292 -2.675 -4.751 1.00 10.00 H new ATOM 0 HA ASP A 31 3.259 -3.929 -2.105 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.877 -5.330 -3.981 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.111 -4.194 -4.488 1.00 10.00 H new ATOM 507 N LEU A 32 4.795 -2.226 -1.027 1.00 10.00 N ATOM 508 CA LEU A 32 5.735 -1.359 -0.344 1.00 10.00 C ATOM 509 C LEU A 32 6.443 -2.164 0.743 1.00 10.00 C ATOM 510 O LEU A 32 6.921 -1.604 1.728 1.00 10.00 O ATOM 511 CB LEU A 32 4.995 -0.155 0.244 1.00 10.00 C ATOM 512 CG LEU A 32 4.010 0.504 -0.746 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.640 0.685 -0.088 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.607 1.817 -1.256 1.00 10.00 C ATOM 0 H LEU A 32 4.082 -2.623 -0.415 1.00 10.00 H new ATOM 0 HA LEU A 32 6.481 -0.981 -1.042 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.448 -0.472 1.132 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.724 0.588 0.568 1.00 10.00 H new ATOM 0 HG LEU A 32 3.854 -0.141 -1.611 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.955 1.151 -0.796 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.248 -0.287 0.210 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.740 1.321 0.792 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.914 2.285 -1.955 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.782 2.488 -0.415 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.551 1.615 -1.762 1.00 10.00 H new ATOM 526 N THR A 33 6.505 -3.489 0.593 1.00 10.00 N ATOM 527 CA THR A 33 7.040 -4.345 1.637 1.00 10.00 C ATOM 528 C THR A 33 8.514 -4.065 1.882 1.00 10.00 C ATOM 529 O THR A 33 8.978 -4.083 3.019 1.00 10.00 O ATOM 530 CB THR A 33 6.762 -5.811 1.307 1.00 10.00 C ATOM 531 OG1 THR A 33 6.664 -6.507 2.538 1.00 10.00 O ATOM 532 CG2 THR A 33 7.779 -6.474 0.374 1.00 10.00 C ATOM 0 H THR A 33 6.191 -3.985 -0.241 1.00 10.00 H new ATOM 0 HA THR A 33 6.532 -4.120 2.575 1.00 10.00 H new ATOM 0 HB THR A 33 5.833 -5.853 0.739 1.00 10.00 H new ATOM 0 HG1 THR A 33 7.281 -6.111 3.188 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.493 -7.512 0.202 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.802 -5.941 -0.577 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.768 -6.442 0.832 1.00 10.00 H new ATOM 540 N LYS A 34 9.238 -3.758 0.807 1.00 10.00 N ATOM 541 CA LYS A 34 10.620 -3.320 0.863 1.00 10.00 C ATOM 542 C LYS A 34 10.662 -1.797 0.947 1.00 10.00 C ATOM 543 O LYS A 34 11.598 -1.169 0.461 1.00 10.00 O ATOM 544 CB LYS A 34 11.353 -3.887 -0.358 1.00 10.00 C ATOM 545 CG LYS A 34 11.685 -5.357 -0.086 1.00 10.00 C ATOM 546 CD LYS A 34 12.015 -6.085 -1.390 1.00 10.00 C ATOM 547 CE LYS A 34 12.539 -7.491 -1.071 1.00 10.00 C ATOM 548 NZ LYS A 34 13.038 -8.177 -2.278 1.00 10.00 N ATOM 0 H LYS A 34 8.868 -3.810 -0.142 1.00 10.00 H new ATOM 0 HA LYS A 34 11.129 -3.692 1.752 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.731 -3.798 -1.249 1.00 10.00 H new ATOM 0 HB3 LYS A 34 12.265 -3.322 -0.548 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.531 -5.424 0.598 1.00 10.00 H new ATOM 0 HG3 LYS A 34 10.840 -5.842 0.404 1.00 10.00 H new ATOM 0 HD2 LYS A 34 11.126 -6.150 -2.018 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.762 -5.525 -1.953 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.340 -7.422 -0.335 1.00 10.00 H new ATOM 0 HE3 LYS A 34 11.742 -8.082 -0.620 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 13.383 -9.124 -2.021 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 12.267 -8.266 -2.971 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.816 -7.626 -2.694 1.00 10.00 H new ATOM 562 N PHE A 35 9.641 -1.206 1.573 1.00 10.00 N ATOM 563 CA PHE A 35 9.583 0.209 1.850 1.00 10.00 C ATOM 564 C PHE A 35 8.973 0.480 3.221 1.00 10.00 C ATOM 565 O PHE A 35 8.603 1.609 3.495 1.00 10.00 O ATOM 566 CB PHE A 35 8.769 0.910 0.762 1.00 10.00 C ATOM 567 CG PHE A 35 9.221 2.329 0.471 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.556 2.577 0.096 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.323 3.406 0.606 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.988 3.888 -0.156 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.757 4.720 0.354 1.00 10.00 C ATOM 572 CZ PHE A 35 10.094 4.962 -0.010 1.00 10.00 C ATOM 0 H PHE A 35 8.822 -1.718 1.903 1.00 10.00 H new ATOM 0 HA PHE A 35 10.600 0.601 1.855 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.829 0.325 -0.156 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.721 0.928 1.061 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.250 1.755 0.002 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.301 3.223 0.903 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.007 4.071 -0.462 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.063 5.543 0.440 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.433 5.974 -0.177 1.00 10.00 H new ATOM 582 N LEU A 36 8.832 -0.523 4.088 1.00 10.00 N ATOM 583 CA LEU A 36 8.206 -0.324 5.388 1.00 10.00 C ATOM 584 C LEU A 36 9.002 0.669 6.235 1.00 10.00 C ATOM 585 O LEU A 36 8.532 1.771 6.498 1.00 10.00 O ATOM 586 CB LEU A 36 8.082 -1.668 6.102 1.00 10.00 C ATOM 587 CG LEU A 36 7.050 -2.583 5.439 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.211 -3.968 6.072 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.638 -2.022 5.628 1.00 10.00 C ATOM 0 H LEU A 36 9.143 -1.478 3.911 1.00 10.00 H new ATOM 0 HA LEU A 36 7.211 0.096 5.240 1.00 10.00 H new ATOM 0 HB2 LEU A 36 9.053 -2.164 6.110 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.801 -1.500 7.142 1.00 10.00 H new ATOM 0 HG LEU A 36 7.208 -2.649 4.363 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.492 -4.657 5.628 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.222 -4.334 5.894 1.00 10.00 H new ATOM 0 HD13 LEU A 36 7.033 -3.900 7.145 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.916 -2.685 5.151 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.415 -1.949 6.692 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.576 -1.032 5.176 1.00 10.00 H new ATOM 601 N GLU A 37 10.209 0.281 6.652 1.00 10.00 N ATOM 602 CA GLU A 37 11.092 1.145 7.429 1.00 10.00 C ATOM 603 C GLU A 37 11.412 2.427 6.652 1.00 10.00 C ATOM 604 O GLU A 37 11.533 3.502 7.234 1.00 10.00 O ATOM 605 CB GLU A 37 12.382 0.392 7.795 1.00 10.00 C ATOM 606 CG GLU A 37 12.289 -0.272 9.176 1.00 10.00 C ATOM 607 CD GLU A 37 13.627 -0.869 9.603 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.624 -0.116 9.559 1.00 10.00 O ATOM 609 OE2 GLU A 37 13.636 -2.071 9.945 1.00 10.00 O ATOM 0 H GLU A 37 10.599 -0.641 6.459 1.00 10.00 H new ATOM 0 HA GLU A 37 10.583 1.427 8.351 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.584 -0.368 7.040 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.223 1.086 7.782 1.00 10.00 H new ATOM 0 HG2 GLU A 37 11.966 0.463 9.913 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.531 -1.055 9.154 1.00 10.00 H new ATOM 616 N GLU A 38 11.564 2.309 5.331 1.00 10.00 N ATOM 617 CA GLU A 38 11.887 3.437 4.476 1.00 10.00 C ATOM 618 C GLU A 38 10.759 4.466 4.493 1.00 10.00 C ATOM 619 O GLU A 38 11.031 5.660 4.565 1.00 10.00 O ATOM 620 CB GLU A 38 12.126 2.942 3.052 1.00 10.00 C ATOM 621 CG GLU A 38 13.384 2.070 2.927 1.00 10.00 C ATOM 622 CD GLU A 38 14.446 2.779 2.095 1.00 10.00 C ATOM 623 OE1 GLU A 38 15.193 3.582 2.692 1.00 10.00 O ATOM 624 OE2 GLU A 38 14.462 2.531 0.870 1.00 10.00 O ATOM 0 H GLU A 38 11.465 1.426 4.831 1.00 10.00 H new ATOM 0 HA GLU A 38 12.791 3.917 4.850 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.259 2.370 2.721 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.216 3.799 2.385 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.779 1.848 3.918 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.128 1.117 2.465 1.00 10.00 H new ATOM 631 N HIS A 39 9.508 4.000 4.384 1.00 10.00 N ATOM 632 CA HIS A 39 8.310 4.825 4.276 1.00 10.00 C ATOM 633 C HIS A 39 8.315 5.892 5.371 1.00 10.00 C ATOM 634 O HIS A 39 8.022 5.570 6.527 1.00 10.00 O ATOM 635 CB HIS A 39 7.049 3.952 4.369 1.00 10.00 C ATOM 636 CG HIS A 39 5.770 4.728 4.508 1.00 10.00 C ATOM 637 ND1 HIS A 39 4.850 4.603 5.523 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.278 5.622 3.601 1.00 10.00 C ATOM 639 CE1 HIS A 39 3.826 5.423 5.231 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.039 6.065 4.066 1.00 10.00 N ATOM 0 H HIS A 39 9.301 3.001 4.369 1.00 10.00 H new ATOM 0 HA HIS A 39 8.306 5.322 3.306 1.00 10.00 H new ATOM 0 HB2 HIS A 39 6.987 3.328 3.478 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.148 3.281 5.222 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.762 5.931 2.686 1.00 10.00 H new ATOM 0 HE1 HIS A 39 2.949 5.550 5.848 1.00 10.00 H new ATOM 0 HE2 HIS A 39 3.420 6.739 3.615 1.00 10.00 H new ATOM 648 N PRO A 40 8.618 7.158 5.037 1.00 10.00 N ATOM 649 CA PRO A 40 8.797 8.197 6.030 1.00 10.00 C ATOM 650 C PRO A 40 7.421 8.672 6.493 1.00 10.00 C ATOM 651 O PRO A 40 6.966 9.757 6.141 1.00 10.00 O ATOM 652 CB PRO A 40 9.642 9.273 5.345 1.00 10.00 C ATOM 653 CG PRO A 40 9.346 9.112 3.853 1.00 10.00 C ATOM 654 CD PRO A 40 8.877 7.664 3.694 1.00 10.00 C ATOM 0 HA PRO A 40 9.312 7.874 6.935 1.00 10.00 H new ATOM 0 HB2 PRO A 40 9.374 10.269 5.696 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.703 9.136 5.555 1.00 10.00 H new ATOM 0 HG2 PRO A 40 8.579 9.813 3.525 1.00 10.00 H new ATOM 0 HG3 PRO A 40 10.234 9.307 3.252 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.977 7.614 3.081 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.637 7.064 3.194 1.00 10.00 H new ATOM 662 N GLY A 41 6.751 7.821 7.270 1.00 10.00 N ATOM 663 CA GLY A 41 5.387 8.038 7.700 1.00 10.00 C ATOM 664 C GLY A 41 5.007 7.145 8.866 1.00 10.00 C ATOM 665 O GLY A 41 4.462 7.618 9.861 1.00 10.00 O ATOM 0 H GLY A 41 7.154 6.951 7.619 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.260 9.082 7.987 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.710 7.852 6.866 1.00 10.00 H new ATOM 669 N GLY A 42 5.281 5.847 8.738 1.00 10.00 N ATOM 670 CA GLY A 42 4.946 4.884 9.768 1.00 10.00 C ATOM 671 C GLY A 42 4.773 3.508 9.146 1.00 10.00 C ATOM 672 O GLY A 42 3.735 3.219 8.549 1.00 10.00 O ATOM 0 H GLY A 42 5.738 5.443 7.921 1.00 10.00 H new ATOM 0 HA2 GLY A 42 5.732 4.856 10.523 1.00 10.00 H new ATOM 0 HA3 GLY A 42 4.028 5.183 10.274 1.00 10.00 H new ATOM 676 N GLU A 43 5.780 2.650 9.298 1.00 10.00 N ATOM 677 CA GLU A 43 5.681 1.245 8.945 1.00 10.00 C ATOM 678 C GLU A 43 4.481 0.600 9.637 1.00 10.00 C ATOM 679 O GLU A 43 3.786 -0.207 9.031 1.00 10.00 O ATOM 680 CB GLU A 43 6.988 0.551 9.326 1.00 10.00 C ATOM 681 CG GLU A 43 7.290 0.611 10.831 1.00 10.00 C ATOM 682 CD GLU A 43 8.763 0.871 11.075 1.00 10.00 C ATOM 683 OE1 GLU A 43 9.148 2.035 10.841 1.00 10.00 O ATOM 684 OE2 GLU A 43 9.446 -0.085 11.492 1.00 10.00 O ATOM 0 H GLU A 43 6.691 2.917 9.672 1.00 10.00 H new ATOM 0 HA GLU A 43 5.524 1.141 7.871 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.943 -0.492 9.013 1.00 10.00 H new ATOM 0 HB3 GLU A 43 7.810 1.013 8.779 1.00 10.00 H new ATOM 0 HG2 GLU A 43 6.696 1.398 11.295 1.00 10.00 H new ATOM 0 HG3 GLU A 43 6.999 -0.328 11.303 1.00 10.00 H new ATOM 691 N ALA A 44 4.223 0.967 10.898 1.00 10.00 N ATOM 692 CA ALA A 44 3.161 0.383 11.698 1.00 10.00 C ATOM 693 C ALA A 44 1.819 0.608 11.013 1.00 10.00 C ATOM 694 O ALA A 44 1.112 -0.350 10.717 1.00 10.00 O ATOM 695 CB ALA A 44 3.172 0.960 13.118 1.00 10.00 C ATOM 0 H ALA A 44 4.756 1.685 11.389 1.00 10.00 H new ATOM 0 HA ALA A 44 3.326 -0.691 11.784 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.368 0.509 13.700 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.129 0.743 13.592 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.026 2.039 13.073 1.00 10.00 H new ATOM 701 N VAL A 45 1.478 1.868 10.721 1.00 10.00 N ATOM 702 CA VAL A 45 0.257 2.149 9.986 1.00 10.00 C ATOM 703 C VAL A 45 0.315 1.508 8.602 1.00 10.00 C ATOM 704 O VAL A 45 -0.678 0.890 8.212 1.00 10.00 O ATOM 705 CB VAL A 45 -0.123 3.639 9.985 1.00 10.00 C ATOM 706 CG1 VAL A 45 0.917 4.534 9.307 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.487 3.842 9.310 1.00 10.00 C ATOM 0 H VAL A 45 2.024 2.690 10.980 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.574 1.681 10.514 1.00 10.00 H new ATOM 0 HB VAL A 45 -0.168 3.938 11.032 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.583 5.571 9.343 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.871 4.441 9.826 1.00 10.00 H new ATOM 0 HG13 VAL A 45 1.038 4.228 8.268 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.742 4.902 9.317 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.440 3.487 8.281 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.248 3.282 9.853 1.00 10.00 H new ATOM 717 N LEU A 46 1.449 1.574 7.875 1.00 10.00 N ATOM 718 CA LEU A 46 1.489 0.878 6.593 1.00 10.00 C ATOM 719 C LEU A 46 1.121 -0.612 6.749 1.00 10.00 C ATOM 720 O LEU A 46 0.369 -1.156 5.946 1.00 10.00 O ATOM 721 CB LEU A 46 2.853 1.083 5.906 1.00 10.00 C ATOM 722 CG LEU A 46 2.686 1.611 4.474 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.040 1.898 3.810 1.00 10.00 C ATOM 724 CD2 LEU A 46 1.917 0.626 3.598 1.00 10.00 C ATOM 0 H LEU A 46 2.298 2.073 8.140 1.00 10.00 H new ATOM 0 HA LEU A 46 0.732 1.313 5.940 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.452 1.784 6.486 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.397 0.139 5.886 1.00 10.00 H new ATOM 0 HG LEU A 46 2.122 2.540 4.560 1.00 10.00 H new ATOM 0 HD11 LEU A 46 3.878 2.270 2.798 1.00 10.00 H new ATOM 0 HD12 LEU A 46 4.578 2.648 4.390 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.627 0.981 3.770 1.00 10.00 H new ATOM 0 HD21 LEU A 46 1.818 1.034 2.592 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.456 -0.320 3.555 1.00 10.00 H new ATOM 0 HD23 LEU A 46 0.926 0.460 4.021 1.00 10.00 H new ATOM 736 N ARG A 47 1.610 -1.262 7.808 1.00 10.00 N ATOM 737 CA ARG A 47 1.435 -2.683 8.075 1.00 10.00 C ATOM 738 C ARG A 47 0.008 -2.974 8.533 1.00 10.00 C ATOM 739 O ARG A 47 -0.576 -3.984 8.157 1.00 10.00 O ATOM 740 CB ARG A 47 2.451 -3.113 9.142 1.00 10.00 C ATOM 741 CG ARG A 47 2.554 -4.631 9.335 1.00 10.00 C ATOM 742 CD ARG A 47 3.250 -5.309 8.149 1.00 10.00 C ATOM 743 NE ARG A 47 3.725 -6.646 8.529 1.00 10.00 N ATOM 744 CZ ARG A 47 4.773 -7.260 7.962 1.00 10.00 C ATOM 745 NH1 ARG A 47 5.244 -6.831 6.783 1.00 10.00 N ATOM 746 NH2 ARG A 47 5.343 -8.300 8.585 1.00 10.00 N ATOM 0 H ARG A 47 2.159 -0.791 8.527 1.00 10.00 H new ATOM 0 HA ARG A 47 1.607 -3.251 7.161 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.433 -2.725 8.870 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.179 -2.655 10.093 1.00 10.00 H new ATOM 0 HG2 ARG A 47 3.105 -4.845 10.251 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.556 -5.050 9.459 1.00 10.00 H new ATOM 0 HD2 ARG A 47 2.559 -5.387 7.310 1.00 10.00 H new ATOM 0 HD3 ARG A 47 4.090 -4.699 7.815 1.00 10.00 H new ATOM 0 HE ARG A 47 3.226 -7.138 9.271 1.00 10.00 H new ATOM 0 HH11 ARG A 47 4.805 -6.037 6.317 1.00 10.00 H new ATOM 0 HH12 ARG A 47 6.041 -7.298 6.352 1.00 10.00 H new ATOM 0 HH21 ARG A 47 4.979 -8.618 9.483 1.00 10.00 H new ATOM 0 HH22 ARG A 47 6.141 -8.773 8.161 1.00 10.00 H new ATOM 760 N ALA A 48 -0.548 -2.099 9.366 1.00 10.00 N ATOM 761 CA ALA A 48 -1.881 -2.253 9.918 1.00 10.00 C ATOM 762 C ALA A 48 -2.928 -2.118 8.818 1.00 10.00 C ATOM 763 O ALA A 48 -3.887 -2.883 8.776 1.00 10.00 O ATOM 764 CB ALA A 48 -2.083 -1.199 11.004 1.00 10.00 C ATOM 0 H ALA A 48 -0.074 -1.252 9.678 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.993 -3.245 10.356 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.081 -1.302 11.429 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.339 -1.337 11.788 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.973 -0.205 10.571 1.00 10.00 H new ATOM 770 N GLN A 49 -2.747 -1.136 7.931 1.00 10.00 N ATOM 771 CA GLN A 49 -3.624 -0.958 6.786 1.00 10.00 C ATOM 772 C GLN A 49 -3.344 -1.978 5.680 1.00 10.00 C ATOM 773 O GLN A 49 -4.172 -2.163 4.788 1.00 10.00 O ATOM 774 CB GLN A 49 -3.492 0.478 6.268 1.00 10.00 C ATOM 775 CG GLN A 49 -4.558 1.392 6.880 1.00 10.00 C ATOM 776 CD GLN A 49 -5.980 1.016 6.455 1.00 10.00 C ATOM 777 OE1 GLN A 49 -6.182 0.153 5.610 1.00 10.00 O ATOM 778 NE2 GLN A 49 -6.994 1.657 7.026 1.00 10.00 N ATOM 0 H GLN A 49 -1.994 -0.451 7.991 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.651 -1.132 7.107 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.500 0.863 6.506 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.584 0.485 5.182 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.486 1.349 7.967 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.357 2.423 6.587 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -6.813 2.374 7.729 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -7.953 1.432 6.762 1.00 10.00 H new ATOM 787 N ALA A 50 -2.175 -2.621 5.701 1.00 10.00 N ATOM 788 CA ALA A 50 -1.849 -3.620 4.702 1.00 10.00 C ATOM 789 C ALA A 50 -2.903 -4.723 4.631 1.00 10.00 C ATOM 790 O ALA A 50 -3.490 -5.109 5.638 1.00 10.00 O ATOM 791 CB ALA A 50 -0.466 -4.209 4.942 1.00 10.00 C ATOM 0 H ALA A 50 -1.447 -2.464 6.398 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.841 -3.113 3.737 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.250 -4.955 4.177 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.280 -3.416 4.896 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.436 -4.679 5.925 1.00 10.00 H new ATOM 797 N GLY A 51 -3.129 -5.235 3.423 1.00 10.00 N ATOM 798 CA GLY A 51 -4.135 -6.237 3.147 1.00 10.00 C ATOM 799 C GLY A 51 -5.521 -5.740 3.526 1.00 10.00 C ATOM 800 O GLY A 51 -6.285 -6.454 4.168 1.00 10.00 O ATOM 0 H GLY A 51 -2.602 -4.953 2.596 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -4.115 -6.495 2.088 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -3.908 -7.147 3.701 1.00 10.00 H new ATOM 804 N GLY A 52 -5.864 -4.527 3.099 1.00 10.00 N ATOM 805 CA GLY A 52 -7.181 -3.968 3.312 1.00 10.00 C ATOM 806 C GLY A 52 -7.357 -2.759 2.406 1.00 10.00 C ATOM 807 O GLY A 52 -6.402 -2.313 1.759 1.00 10.00 O ATOM 0 H GLY A 52 -5.229 -3.908 2.595 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.946 -4.714 3.097 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.303 -3.678 4.356 1.00 10.00 H new ATOM 811 N ASP A 53 -8.589 -2.242 2.360 1.00 10.00 N ATOM 812 CA ASP A 53 -8.869 -0.969 1.723 1.00 10.00 C ATOM 813 C ASP A 53 -8.210 0.117 2.557 1.00 10.00 C ATOM 814 O ASP A 53 -8.734 0.516 3.597 1.00 10.00 O ATOM 815 CB ASP A 53 -10.380 -0.714 1.588 1.00 10.00 C ATOM 816 CG ASP A 53 -10.774 -0.560 0.128 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.135 0.288 -0.544 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.707 -1.286 -0.275 1.00 10.00 O ATOM 0 H ASP A 53 -9.409 -2.697 2.762 1.00 10.00 H new ATOM 0 HA ASP A 53 -8.469 -0.972 0.709 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.934 -1.540 2.033 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.652 0.186 2.139 1.00 10.00 H new ATOM 823 N ALA A 54 -7.052 0.586 2.098 1.00 10.00 N ATOM 824 CA ALA A 54 -6.328 1.640 2.775 1.00 10.00 C ATOM 825 C ALA A 54 -6.533 2.955 2.058 1.00 10.00 C ATOM 826 O ALA A 54 -6.037 3.966 2.540 1.00 10.00 O ATOM 827 CB ALA A 54 -4.849 1.285 2.879 1.00 10.00 C ATOM 0 H ALA A 54 -6.598 0.244 1.251 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.715 1.746 3.788 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.317 2.087 3.391 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.736 0.358 3.442 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.435 1.155 1.879 1.00 10.00 H new ATOM 833 N THR A 55 -7.258 2.961 0.935 1.00 10.00 N ATOM 834 CA THR A 55 -7.520 4.140 0.136 1.00 10.00 C ATOM 835 C THR A 55 -7.843 5.347 1.022 1.00 10.00 C ATOM 836 O THR A 55 -7.151 6.361 0.951 1.00 10.00 O ATOM 837 CB THR A 55 -8.617 3.817 -0.892 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.337 2.614 -1.594 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.657 4.952 -1.912 1.00 10.00 C ATOM 0 H THR A 55 -7.686 2.117 0.555 1.00 10.00 H new ATOM 0 HA THR A 55 -6.626 4.424 -0.419 1.00 10.00 H new ATOM 0 HB THR A 55 -9.563 3.703 -0.364 1.00 10.00 H new ATOM 0 HG1 THR A 55 -8.919 1.899 -1.262 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.429 4.747 -2.654 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.882 5.890 -1.404 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.689 5.031 -2.407 1.00 10.00 H new ATOM 847 N ALA A 56 -8.839 5.196 1.900 1.00 10.00 N ATOM 848 CA ALA A 56 -9.272 6.230 2.834 1.00 10.00 C ATOM 849 C ALA A 56 -8.149 6.655 3.789 1.00 10.00 C ATOM 850 O ALA A 56 -8.014 7.824 4.132 1.00 10.00 O ATOM 851 CB ALA A 56 -10.482 5.718 3.620 1.00 10.00 C ATOM 0 H ALA A 56 -9.376 4.332 1.980 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.548 7.115 2.261 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.812 6.485 4.321 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.292 5.485 2.929 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.204 4.819 4.171 1.00 10.00 H new ATOM 857 N ASN A 57 -7.335 5.703 4.241 1.00 10.00 N ATOM 858 CA ASN A 57 -6.262 5.964 5.190 1.00 10.00 C ATOM 859 C ASN A 57 -5.156 6.755 4.492 1.00 10.00 C ATOM 860 O ASN A 57 -4.693 7.768 5.001 1.00 10.00 O ATOM 861 CB ASN A 57 -5.748 4.636 5.769 1.00 10.00 C ATOM 862 CG ASN A 57 -5.740 4.627 7.298 1.00 10.00 C ATOM 863 OD1 ASN A 57 -6.916 4.668 7.918 1.00 10.00 O flip ATOM 864 ND2 ASN A 57 -4.698 4.523 7.932 1.00 10.00 N flip ATOM 0 H ASN A 57 -7.404 4.726 3.956 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.628 6.563 6.024 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.373 3.820 5.408 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.738 4.450 5.403 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -3.804 4.493 7.442 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -4.724 4.466 8.950 1.00 10.00 H new ATOM 871 N PHE A 58 -4.743 6.294 3.311 1.00 10.00 N ATOM 872 CA PHE A 58 -3.786 6.979 2.459 1.00 10.00 C ATOM 873 C PHE A 58 -4.239 8.413 2.181 1.00 10.00 C ATOM 874 O PHE A 58 -3.517 9.358 2.497 1.00 10.00 O ATOM 875 CB PHE A 58 -3.617 6.189 1.157 1.00 10.00 C ATOM 876 CG PHE A 58 -2.759 6.877 0.113 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.374 6.993 0.313 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.333 7.350 -1.082 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.555 7.541 -0.690 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.513 7.870 -2.099 1.00 10.00 C ATOM 881 CZ PHE A 58 -1.123 7.967 -1.903 1.00 10.00 C ATOM 0 H PHE A 58 -5.075 5.414 2.917 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.823 7.035 2.966 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.177 5.219 1.389 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.602 5.998 0.732 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.936 6.660 1.242 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.404 7.314 -1.218 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.509 7.634 -0.529 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.950 8.195 -3.031 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.493 8.368 -2.683 1.00 10.00 H new ATOM 891 N GLU A 59 -5.426 8.580 1.585 1.00 10.00 N ATOM 892 CA GLU A 59 -5.922 9.900 1.217 1.00 10.00 C ATOM 893 C GLU A 59 -6.066 10.803 2.446 1.00 10.00 C ATOM 894 O GLU A 59 -5.698 11.977 2.387 1.00 10.00 O ATOM 895 CB GLU A 59 -7.182 9.791 0.348 1.00 10.00 C ATOM 896 CG GLU A 59 -8.385 9.168 1.062 1.00 10.00 C ATOM 897 CD GLU A 59 -9.317 10.156 1.753 1.00 10.00 C ATOM 898 OE1 GLU A 59 -8.920 11.332 1.887 1.00 10.00 O ATOM 899 OE2 GLU A 59 -10.422 9.705 2.122 1.00 10.00 O ATOM 0 H GLU A 59 -6.057 7.814 1.350 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.183 10.398 0.589 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.456 10.787 -0.001 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.950 9.196 -0.536 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.962 8.597 0.335 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -8.019 8.459 1.805 1.00 10.00 H new ATOM 906 N ALA A 60 -6.504 10.232 3.576 1.00 10.00 N ATOM 907 CA ALA A 60 -6.592 10.946 4.845 1.00 10.00 C ATOM 908 C ALA A 60 -5.288 11.677 5.186 1.00 10.00 C ATOM 909 O ALA A 60 -5.335 12.759 5.767 1.00 10.00 O ATOM 910 CB ALA A 60 -7.018 9.999 5.973 1.00 10.00 C ATOM 0 H ALA A 60 -6.807 9.259 3.630 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.361 11.711 4.738 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.077 10.553 6.910 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.994 9.573 5.741 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.286 9.197 6.071 1.00 10.00 H new ATOM 916 N VAL A 61 -4.130 11.119 4.812 1.00 10.00 N ATOM 917 CA VAL A 61 -2.845 11.803 4.908 1.00 10.00 C ATOM 918 C VAL A 61 -2.343 12.152 3.501 1.00 10.00 C ATOM 919 O VAL A 61 -1.316 11.655 3.054 1.00 10.00 O ATOM 920 CB VAL A 61 -1.850 10.978 5.746 1.00 10.00 C ATOM 921 CG1 VAL A 61 -2.277 10.915 7.222 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.705 9.545 5.238 1.00 10.00 C ATOM 0 H VAL A 61 -4.063 10.174 4.433 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.957 12.747 5.441 1.00 10.00 H new ATOM 0 HB VAL A 61 -0.893 11.490 5.650 1.00 10.00 H new ATOM 0 HG11 VAL A 61 -1.554 10.326 7.785 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -2.320 11.924 7.632 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -3.260 10.451 7.297 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -0.992 9.008 5.864 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.673 9.045 5.278 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -1.346 9.558 4.209 1.00 10.00 H new ATOM 932 N GLY A 62 -3.078 13.020 2.799 1.00 10.00 N ATOM 933 CA GLY A 62 -2.741 13.536 1.476 1.00 10.00 C ATOM 934 C GLY A 62 -1.239 13.769 1.273 1.00 10.00 C ATOM 935 O GLY A 62 -0.660 14.675 1.867 1.00 10.00 O ATOM 0 H GLY A 62 -3.958 13.395 3.154 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.097 12.836 0.720 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -3.271 14.475 1.315 1.00 10.00 H new ATOM 939 N HIS A 63 -0.625 12.937 0.427 1.00 10.00 N ATOM 940 CA HIS A 63 0.810 12.897 0.190 1.00 10.00 C ATOM 941 C HIS A 63 1.220 13.822 -0.969 1.00 10.00 C ATOM 942 O HIS A 63 0.372 14.224 -1.769 1.00 10.00 O ATOM 943 CB HIS A 63 1.180 11.458 -0.168 1.00 10.00 C ATOM 944 CG HIS A 63 1.107 10.428 0.935 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.007 9.886 1.538 1.00 10.00 N ATOM 946 CD2 HIS A 63 2.180 9.707 1.363 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.407 8.862 2.312 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.736 8.705 2.235 1.00 10.00 N ATOM 0 H HIS A 63 -1.137 12.251 -0.128 1.00 10.00 H new ATOM 0 HA HIS A 63 1.329 13.237 1.086 1.00 10.00 H new ATOM 0 HB2 HIS A 63 0.526 11.133 -0.977 1.00 10.00 H new ATOM 0 HB3 HIS A 63 2.197 11.459 -0.561 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -0.970 10.202 1.420 1.00 10.00 H new ATOM 0 HD2 HIS A 63 3.207 9.880 1.076 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.247 8.249 2.915 1.00 10.00 H new ATOM 956 N SER A 64 2.520 14.122 -1.097 1.00 10.00 N ATOM 957 CA SER A 64 3.045 14.993 -2.153 1.00 10.00 C ATOM 958 C SER A 64 3.270 14.267 -3.491 1.00 10.00 C ATOM 959 O SER A 64 3.167 13.044 -3.589 1.00 10.00 O ATOM 960 CB SER A 64 4.328 15.676 -1.660 1.00 10.00 C ATOM 961 OG SER A 64 4.011 16.587 -0.625 1.00 10.00 O ATOM 0 H SER A 64 3.238 13.765 -0.467 1.00 10.00 H new ATOM 0 HA SER A 64 2.287 15.748 -2.362 1.00 10.00 H new ATOM 0 HB2 SER A 64 5.034 14.929 -1.297 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.813 16.200 -2.484 1.00 10.00 H new ATOM 0 HG SER A 64 4.831 17.022 -0.309 1.00 10.00 H new ATOM 967 N THR A 65 3.585 15.038 -4.540 1.00 10.00 N ATOM 968 CA THR A 65 3.835 14.570 -5.898 1.00 10.00 C ATOM 969 C THR A 65 4.845 13.428 -5.913 1.00 10.00 C ATOM 970 O THR A 65 4.597 12.384 -6.509 1.00 10.00 O ATOM 971 CB THR A 65 4.346 15.745 -6.742 1.00 10.00 C ATOM 972 OG1 THR A 65 3.661 16.918 -6.342 1.00 10.00 O ATOM 973 CG2 THR A 65 4.148 15.490 -8.240 1.00 10.00 C ATOM 0 H THR A 65 3.675 16.050 -4.455 1.00 10.00 H new ATOM 0 HA THR A 65 2.904 14.188 -6.318 1.00 10.00 H new ATOM 0 HB THR A 65 5.417 15.863 -6.578 1.00 10.00 H new ATOM 0 HG1 THR A 65 3.978 17.679 -6.872 1.00 10.00 H new ATOM 0 HG21 THR A 65 4.521 16.343 -8.807 1.00 10.00 H new ATOM 0 HG22 THR A 65 4.695 14.593 -8.532 1.00 10.00 H new ATOM 0 HG23 THR A 65 3.087 15.352 -8.449 1.00 10.00 H new ATOM 981 N ASP A 66 5.975 13.639 -5.233 1.00 10.00 N ATOM 982 CA ASP A 66 7.047 12.662 -5.128 1.00 10.00 C ATOM 983 C ASP A 66 6.467 11.327 -4.670 1.00 10.00 C ATOM 984 O ASP A 66 6.702 10.290 -5.275 1.00 10.00 O ATOM 985 CB ASP A 66 8.106 13.178 -4.137 1.00 10.00 C ATOM 986 CG ASP A 66 9.529 12.836 -4.561 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.697 11.813 -5.256 1.00 10.00 O ATOM 988 OD2 ASP A 66 10.424 13.617 -4.176 1.00 10.00 O ATOM 0 H ASP A 66 6.168 14.508 -4.735 1.00 10.00 H new ATOM 0 HA ASP A 66 7.524 12.515 -6.097 1.00 10.00 H new ATOM 0 HB2 ASP A 66 8.011 14.260 -4.041 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.913 12.752 -3.152 1.00 10.00 H new ATOM 993 N ALA A 67 5.622 11.368 -3.637 1.00 10.00 N ATOM 994 CA ALA A 67 4.918 10.195 -3.138 1.00 10.00 C ATOM 995 C ALA A 67 3.969 9.623 -4.194 1.00 10.00 C ATOM 996 O ALA A 67 3.958 8.413 -4.409 1.00 10.00 O ATOM 997 CB ALA A 67 4.160 10.534 -1.853 1.00 10.00 C ATOM 0 H ALA A 67 5.409 12.223 -3.124 1.00 10.00 H new ATOM 0 HA ALA A 67 5.659 9.429 -2.912 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.639 9.647 -1.493 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.864 10.874 -1.094 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.436 11.323 -2.055 1.00 10.00 H new ATOM 1003 N ARG A 68 3.168 10.483 -4.835 1.00 10.00 N ATOM 1004 CA ARG A 68 2.225 10.083 -5.880 1.00 10.00 C ATOM 1005 C ARG A 68 2.943 9.348 -7.027 1.00 10.00 C ATOM 1006 O ARG A 68 2.365 8.470 -7.668 1.00 10.00 O ATOM 1007 CB ARG A 68 1.470 11.305 -6.444 1.00 10.00 C ATOM 1008 CG ARG A 68 0.046 11.476 -5.897 1.00 10.00 C ATOM 1009 CD ARG A 68 0.018 12.135 -4.511 1.00 10.00 C ATOM 1010 NE ARG A 68 -1.299 11.992 -3.864 1.00 10.00 N ATOM 1011 CZ ARG A 68 -2.429 12.632 -4.212 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -2.413 13.535 -5.199 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -3.577 12.352 -3.582 1.00 10.00 N ATOM 0 H ARG A 68 3.158 11.484 -4.639 1.00 10.00 H new ATOM 0 HA ARG A 68 1.507 9.403 -5.422 1.00 10.00 H new ATOM 0 HB2 ARG A 68 2.043 12.205 -6.221 1.00 10.00 H new ATOM 0 HB3 ARG A 68 1.422 11.218 -7.529 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.536 12.080 -6.593 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -0.437 10.500 -5.840 1.00 10.00 H new ATOM 0 HD2 ARG A 68 0.784 11.686 -3.879 1.00 10.00 H new ATOM 0 HD3 ARG A 68 0.263 13.193 -4.606 1.00 10.00 H new ATOM 0 HE ARG A 68 -1.359 11.346 -3.077 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -1.542 13.739 -5.689 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -3.272 14.019 -5.461 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -3.594 11.654 -2.839 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -4.435 12.837 -3.845 1.00 10.00 H new ATOM 1027 N GLU A 69 4.181 9.748 -7.323 1.00 10.00 N ATOM 1028 CA GLU A 69 5.012 9.149 -8.363 1.00 10.00 C ATOM 1029 C GLU A 69 5.672 7.875 -7.825 1.00 10.00 C ATOM 1030 O GLU A 69 5.689 6.828 -8.470 1.00 10.00 O ATOM 1031 CB GLU A 69 6.034 10.194 -8.830 1.00 10.00 C ATOM 1032 CG GLU A 69 5.506 11.013 -10.021 1.00 10.00 C ATOM 1033 CD GLU A 69 5.905 10.398 -11.359 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.578 9.208 -11.557 1.00 10.00 O ATOM 1035 OE2 GLU A 69 6.524 11.132 -12.158 1.00 10.00 O ATOM 0 H GLU A 69 4.642 10.515 -6.834 1.00 10.00 H new ATOM 0 HA GLU A 69 4.413 8.854 -9.225 1.00 10.00 H new ATOM 0 HB2 GLU A 69 6.272 10.864 -8.004 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.961 9.695 -9.113 1.00 10.00 H new ATOM 0 HG2 GLU A 69 4.420 11.079 -9.962 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.891 12.031 -9.960 1.00 10.00 H new ATOM 1042 N LEU A 70 6.192 7.944 -6.603 1.00 10.00 N ATOM 1043 CA LEU A 70 6.854 6.835 -5.947 1.00 10.00 C ATOM 1044 C LEU A 70 5.900 5.642 -5.889 1.00 10.00 C ATOM 1045 O LEU A 70 6.208 4.553 -6.365 1.00 10.00 O ATOM 1046 CB LEU A 70 7.364 7.311 -4.578 1.00 10.00 C ATOM 1047 CG LEU A 70 8.154 6.326 -3.705 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.698 5.175 -4.525 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.302 7.020 -2.972 1.00 10.00 C ATOM 0 H LEU A 70 6.161 8.791 -6.035 1.00 10.00 H new ATOM 0 HA LEU A 70 7.727 6.491 -6.502 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.994 8.184 -4.745 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.502 7.646 -4.002 1.00 10.00 H new ATOM 0 HG LEU A 70 7.456 5.933 -2.966 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.252 4.496 -3.877 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.872 4.638 -4.991 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.362 5.561 -5.298 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.839 6.292 -2.364 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.985 7.459 -3.699 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.902 7.804 -2.330 1.00 10.00 H new ATOM 1061 N SER A 71 4.708 5.856 -5.349 1.00 10.00 N ATOM 1062 CA SER A 71 3.641 4.870 -5.381 1.00 10.00 C ATOM 1063 C SER A 71 3.555 4.196 -6.751 1.00 10.00 C ATOM 1064 O SER A 71 3.617 2.976 -6.827 1.00 10.00 O ATOM 1065 CB SER A 71 2.319 5.488 -4.918 1.00 10.00 C ATOM 1066 OG SER A 71 1.846 6.499 -5.777 1.00 10.00 O ATOM 0 H SER A 71 4.455 6.723 -4.875 1.00 10.00 H new ATOM 0 HA SER A 71 3.871 4.074 -4.672 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.566 4.704 -4.842 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.450 5.902 -3.918 1.00 10.00 H new ATOM 0 HG SER A 71 2.591 6.856 -6.304 1.00 10.00 H new ATOM 1072 N LYS A 72 3.486 4.960 -7.844 1.00 10.00 N ATOM 1073 CA LYS A 72 3.501 4.374 -9.181 1.00 10.00 C ATOM 1074 C LYS A 72 4.737 3.494 -9.429 1.00 10.00 C ATOM 1075 O LYS A 72 4.609 2.392 -9.955 1.00 10.00 O ATOM 1076 CB LYS A 72 3.326 5.455 -10.253 1.00 10.00 C ATOM 1077 CG LYS A 72 1.951 6.128 -10.171 1.00 10.00 C ATOM 1078 CD LYS A 72 0.836 5.144 -10.563 1.00 10.00 C ATOM 1079 CE LYS A 72 -0.494 5.857 -10.821 1.00 10.00 C ATOM 1080 NZ LYS A 72 -0.493 6.575 -12.113 1.00 10.00 N ATOM 0 H LYS A 72 3.420 5.978 -7.828 1.00 10.00 H new ATOM 0 HA LYS A 72 2.646 3.702 -9.250 1.00 10.00 H new ATOM 0 HB2 LYS A 72 4.106 6.208 -10.139 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.454 5.011 -11.240 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.780 6.493 -9.158 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.926 6.995 -10.831 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.133 4.597 -11.458 1.00 10.00 H new ATOM 0 HD3 LYS A 72 0.705 4.409 -9.769 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -1.304 5.128 -10.811 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -0.690 6.563 -10.014 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -1.437 6.973 -12.290 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 0.207 7.344 -12.082 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -0.248 5.914 -12.877 1.00 10.00 H new ATOM 1094 N THR A 73 5.919 3.923 -9.001 1.00 10.00 N ATOM 1095 CA THR A 73 7.130 3.104 -9.039 1.00 10.00 C ATOM 1096 C THR A 73 6.984 1.797 -8.241 1.00 10.00 C ATOM 1097 O THR A 73 7.600 0.794 -8.595 1.00 10.00 O ATOM 1098 CB THR A 73 8.349 3.962 -8.647 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.624 4.838 -9.722 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.610 3.159 -8.316 1.00 10.00 C ATOM 0 H THR A 73 6.067 4.855 -8.615 1.00 10.00 H new ATOM 0 HA THR A 73 7.299 2.763 -10.060 1.00 10.00 H new ATOM 0 HB THR A 73 8.088 4.492 -7.731 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.396 5.398 -9.498 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.417 3.842 -8.051 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.408 2.494 -7.477 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.904 2.569 -9.184 1.00 10.00 H new ATOM 1108 N PHE A 74 6.146 1.785 -7.201 1.00 10.00 N ATOM 1109 CA PHE A 74 5.804 0.583 -6.434 1.00 10.00 C ATOM 1110 C PHE A 74 4.490 -0.065 -6.881 1.00 10.00 C ATOM 1111 O PHE A 74 4.014 -0.998 -6.226 1.00 10.00 O ATOM 1112 CB PHE A 74 5.723 0.916 -4.939 1.00 10.00 C ATOM 1113 CG PHE A 74 7.057 1.133 -4.261 1.00 10.00 C ATOM 1114 CD1 PHE A 74 8.027 0.112 -4.278 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.269 2.282 -3.481 1.00 10.00 C ATOM 1116 CE1 PHE A 74 9.241 0.280 -3.594 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.457 2.420 -2.747 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.457 1.438 -2.833 1.00 10.00 C ATOM 0 H PHE A 74 5.678 2.625 -6.862 1.00 10.00 H new ATOM 0 HA PHE A 74 6.600 -0.138 -6.622 1.00 10.00 H new ATOM 0 HB2 PHE A 74 5.118 1.814 -4.814 1.00 10.00 H new ATOM 0 HB3 PHE A 74 5.200 0.107 -4.429 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.836 -0.803 -4.819 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.519 3.058 -3.446 1.00 10.00 H new ATOM 0 HE1 PHE A 74 10.006 -0.480 -3.654 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.603 3.283 -2.115 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.393 1.575 -2.313 1.00 10.00 H new ATOM 1128 N ILE A 75 3.876 0.411 -7.967 1.00 10.00 N ATOM 1129 CA ILE A 75 2.657 -0.210 -8.465 1.00 10.00 C ATOM 1130 C ILE A 75 2.970 -1.654 -8.863 1.00 10.00 C ATOM 1131 O ILE A 75 3.982 -1.905 -9.516 1.00 10.00 O ATOM 1132 CB ILE A 75 2.066 0.618 -9.614 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.540 0.642 -9.506 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.567 0.185 -11.001 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.068 1.510 -10.604 1.00 10.00 C ATOM 0 H ILE A 75 4.201 1.212 -8.508 1.00 10.00 H new ATOM 0 HA ILE A 75 1.892 -0.236 -7.689 1.00 10.00 H new ATOM 0 HB ILE A 75 2.429 1.640 -9.509 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.150 -0.373 -9.581 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.246 1.025 -8.529 1.00 10.00 H new ATOM 0 HG21 ILE A 75 2.109 0.812 -11.766 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.651 0.291 -11.046 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.297 -0.856 -11.177 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.154 1.512 -10.507 1.00 10.00 H new ATOM 0 HD12 ILE A 75 0.306 2.529 -10.511 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.208 1.109 -11.579 1.00 10.00 H new ATOM 1147 N ILE A 76 2.117 -2.605 -8.483 1.00 10.00 N ATOM 1148 CA ILE A 76 2.274 -3.995 -8.909 1.00 10.00 C ATOM 1149 C ILE A 76 1.175 -4.413 -9.886 1.00 10.00 C ATOM 1150 O ILE A 76 1.278 -5.469 -10.511 1.00 10.00 O ATOM 1151 CB ILE A 76 2.356 -4.915 -7.686 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.264 -4.561 -6.669 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.749 -4.785 -7.054 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.066 -5.671 -5.644 1.00 10.00 C ATOM 0 H ILE A 76 1.311 -2.438 -7.881 1.00 10.00 H new ATOM 0 HA ILE A 76 3.212 -4.088 -9.456 1.00 10.00 H new ATOM 0 HB ILE A 76 2.196 -5.947 -7.998 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.530 -3.636 -6.157 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.326 -4.377 -7.192 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.816 -5.437 -6.183 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.507 -5.074 -7.782 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.915 -3.752 -6.748 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.284 -5.382 -4.941 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.774 -6.589 -6.154 1.00 10.00 H new ATOM 0 HD13 ILE A 76 1.997 -5.837 -5.103 1.00 10.00 H new ATOM 1166 N GLY A 77 0.132 -3.594 -10.025 1.00 10.00 N ATOM 1167 CA GLY A 77 -0.987 -3.835 -10.910 1.00 10.00 C ATOM 1168 C GLY A 77 -2.185 -3.103 -10.344 1.00 10.00 C ATOM 1169 O GLY A 77 -2.027 -2.067 -9.695 1.00 10.00 O ATOM 0 H GLY A 77 0.049 -2.720 -9.505 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.762 -3.481 -11.916 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.192 -4.903 -10.986 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.370 -3.662 -10.571 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.623 -3.049 -10.197 1.00 10.00 C ATOM 1175 C GLU A 78 -5.525 -4.022 -9.443 1.00 10.00 C ATOM 1176 O GLU A 78 -5.257 -5.219 -9.335 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.297 -2.443 -11.436 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.063 -0.936 -11.526 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.961 -0.286 -12.568 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -7.125 -0.002 -12.214 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -5.464 -0.074 -13.693 1.00 10.00 O ATOM 0 H GLU A 78 -3.479 -4.568 -11.027 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.425 -2.235 -9.499 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.910 -2.926 -12.333 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.368 -2.644 -11.403 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.247 -0.481 -10.553 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.019 -0.744 -11.775 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.601 -3.475 -8.890 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.631 -4.256 -8.238 1.00 10.00 C ATOM 1190 C LEU A 79 -8.371 -5.068 -9.304 1.00 10.00 C ATOM 1191 O LEU A 79 -8.771 -4.523 -10.334 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.577 -3.285 -7.526 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.784 -3.998 -6.905 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.427 -4.548 -5.520 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -11.008 -3.078 -6.879 1.00 10.00 C ATOM 0 H LEU A 79 -6.779 -2.471 -8.884 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.212 -4.947 -7.506 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.030 -2.755 -6.746 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.926 -2.535 -8.236 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.051 -4.852 -7.528 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.295 -5.051 -5.093 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.605 -5.258 -5.611 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.127 -3.727 -4.869 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.851 -3.607 -6.434 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.783 -2.190 -6.288 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.262 -2.781 -7.897 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.591 -6.360 -9.058 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.364 -7.219 -9.948 1.00 10.00 C ATOM 1209 C HIS A 80 -10.738 -6.621 -10.278 1.00 10.00 C ATOM 1210 O HIS A 80 -11.388 -6.039 -9.411 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.502 -8.602 -9.310 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.558 -9.732 -10.299 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.680 -10.430 -10.667 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.494 -10.288 -10.958 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.310 -11.361 -11.556 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -8.986 -11.309 -11.775 1.00 10.00 N ATOM 0 H HIS A 80 -8.235 -6.840 -8.231 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.832 -7.306 -10.896 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.661 -8.765 -8.636 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.406 -8.621 -8.702 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.460 -9.991 -10.863 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -10.984 -12.058 -12.032 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.447 -11.897 -12.411 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.211 -6.758 -11.525 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.536 -6.296 -11.904 1.00 10.00 C ATOM 1226 C PRO A 81 -13.657 -7.125 -11.263 1.00 10.00 C ATOM 1227 O PRO A 81 -14.808 -6.713 -11.332 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.563 -6.338 -13.433 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.508 -7.382 -13.803 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.505 -7.336 -12.658 1.00 10.00 C ATOM 0 HA PRO A 81 -12.722 -5.286 -11.538 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.548 -6.619 -13.806 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.326 -5.364 -13.862 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.950 -8.373 -13.904 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.034 -7.146 -14.756 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.139 -8.335 -12.420 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.637 -6.733 -12.925 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.334 -8.265 -10.638 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.301 -9.077 -9.900 1.00 10.00 C ATOM 1240 C ASP A 82 -14.671 -8.428 -8.557 1.00 10.00 C ATOM 1241 O ASP A 82 -15.778 -8.608 -8.059 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.724 -10.482 -9.685 1.00 10.00 C ATOM 1243 CG ASP A 82 -14.761 -11.450 -9.138 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.671 -11.800 -9.920 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.577 -11.872 -7.977 1.00 10.00 O ATOM 0 H ASP A 82 -12.389 -8.649 -10.632 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.217 -9.148 -10.486 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.337 -10.863 -10.630 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -12.882 -10.426 -8.995 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.724 -7.690 -7.964 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.917 -7.004 -6.688 1.00 10.00 C ATOM 1252 C ASP A 83 -14.891 -5.825 -6.834 1.00 10.00 C ATOM 1253 O ASP A 83 -15.818 -5.681 -6.038 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.551 -6.552 -6.158 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.672 -5.634 -4.951 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.035 -4.456 -5.141 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.331 -6.124 -3.858 1.00 10.00 O ATOM 0 H ASP A 83 -12.795 -7.553 -8.363 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.366 -7.689 -5.969 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.961 -7.428 -5.887 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.009 -6.036 -6.951 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.636 -4.985 -7.842 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.410 -3.783 -8.145 1.00 10.00 C ATOM 1264 C ARG A 84 -16.887 -4.082 -8.416 1.00 10.00 C ATOM 1265 O ARG A 84 -17.180 -5.182 -8.932 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.802 -3.081 -9.369 1.00 10.00 C ATOM 1267 CG ARG A 84 -13.884 -1.919 -8.977 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.050 -1.465 -10.180 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.064 -2.489 -10.581 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.441 -2.533 -11.771 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.746 -1.643 -12.721 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.515 -3.462 -12.020 1.00 10.00 N ATOM 0 H ARG A 84 -13.860 -5.130 -8.488 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.365 -3.140 -7.266 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.237 -3.805 -9.957 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.604 -2.708 -10.007 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.481 -1.086 -8.605 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -13.225 -2.226 -8.165 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.711 -1.248 -11.019 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.532 -0.538 -9.934 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.839 -3.218 -9.904 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.453 -0.929 -12.543 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.272 -1.678 -13.624 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.274 -4.147 -11.304 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.048 -3.487 -12.927 1.00 10.00 H new