USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 739 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 80 HIS : no HD1:sc= -1.33 K(o=-1.2,f=-2.6) USER MOD Set 1.2: A 87 GLN : amide:sc= 0.13 X(o=-1.2,f=-1.5) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 48 MET CE :methyl -155:sc= -1.02 (180deg=-1.49) USER MOD Set 3.2: A 51 GLN : amide:sc= -2.17 K(o=-3.2,f=-6.8!) USER MOD Set 4.1: A 5 ASN : amide:sc= -1.55! C(o=-0.67!,f=-6.1!) USER MOD Set 4.2: A 46 LYS NZ :NH3+ 145:sc= 0.881 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 168:sc= 1 (180deg=0.894) USER MOD Single : A 12 GLN : amide:sc= -2.31! C(o=-2.3!,f=-1.9!) USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.17) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.557 K(o=0.56,f=-0.28) USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= 0.783 (180deg=0.0476) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -0.852 K(o=-0.85,f=-8.2!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -146:sc= -1.08 (180deg=-4.37!) USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= 0.0221 (180deg=-0.0126) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -34:sc= 0.0437 USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.14) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0.299 X(o=0.3,f=-0.14) USER MOD Single : A 78 GLN : amide:sc= 0.656 K(o=0.66,f=-0.87) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= -0.0567 (180deg=-0.0567) USER MOD Single : A 88 HIS : no HD1:sc= -0.838 X(o=-0.84,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -30.817 21.084 13.370 1.00 0.00 N ATOM 21 CA PHE A 2 -30.061 20.025 12.703 1.00 0.00 C ATOM 22 C PHE A 2 -29.777 18.885 13.688 1.00 0.00 C ATOM 23 O PHE A 2 -30.368 17.819 13.560 1.00 0.00 O ATOM 24 CB PHE A 2 -28.776 20.596 12.072 1.00 0.00 C ATOM 25 CG PHE A 2 -28.970 21.920 11.355 1.00 0.00 C ATOM 26 CD1 PHE A 2 -29.510 21.962 10.055 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.654 23.121 12.019 1.00 0.00 C ATOM 28 CE1 PHE A 2 -29.741 23.202 9.431 1.00 0.00 C ATOM 29 CE2 PHE A 2 -28.878 24.357 11.392 1.00 0.00 C ATOM 30 CZ PHE A 2 -29.426 24.398 10.100 1.00 0.00 C ATOM 0 HA PHE A 2 -30.654 19.610 11.888 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -28.027 20.725 12.854 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -28.377 19.868 11.366 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -29.746 21.044 9.538 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -28.237 23.091 13.015 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -30.161 23.235 8.437 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -28.629 25.275 11.903 1.00 0.00 H new ATOM 0 HZ PHE A 2 -29.606 25.349 9.620 1.00 0.00 H new ATOM 40 N THR A 3 -28.926 19.156 14.689 1.00 0.00 N ATOM 41 CA THR A 3 -28.578 18.309 15.830 1.00 0.00 C ATOM 42 C THR A 3 -28.026 16.922 15.441 1.00 0.00 C ATOM 43 O THR A 3 -28.774 16.021 15.061 1.00 0.00 O ATOM 44 CB THR A 3 -29.775 18.193 16.778 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.351 19.460 17.045 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.377 17.557 18.118 1.00 0.00 C ATOM 0 H THR A 3 -28.426 20.045 14.720 1.00 0.00 H new ATOM 0 HA THR A 3 -27.753 18.802 16.345 1.00 0.00 H new ATOM 0 HB THR A 3 -30.501 17.557 16.272 1.00 0.00 H new ATOM 0 HG1 THR A 3 -31.113 19.352 17.651 1.00 0.00 H new ATOM 0 HG21 THR A 3 -30.253 17.492 18.764 1.00 0.00 H new ATOM 0 HG22 THR A 3 -28.980 16.557 17.943 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.616 18.170 18.600 1.00 0.00 H new ATOM 54 N ILE A 4 -26.704 16.740 15.564 1.00 0.00 N ATOM 55 CA ILE A 4 -25.996 15.585 15.027 1.00 0.00 C ATOM 56 C ILE A 4 -25.579 14.665 16.173 1.00 0.00 C ATOM 57 O ILE A 4 -24.482 14.759 16.715 1.00 0.00 O ATOM 58 CB ILE A 4 -24.820 15.974 14.102 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.738 17.430 13.620 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.814 15.008 12.915 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.925 17.970 12.813 1.00 0.00 C ATOM 0 H ILE A 4 -26.095 17.402 16.046 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.678 15.035 14.379 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.929 15.891 14.724 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.606 18.068 14.494 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.840 17.534 13.011 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.992 15.260 12.245 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.687 13.988 13.277 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.759 15.087 12.377 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.736 19.007 12.537 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -26.054 17.372 11.911 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.831 17.915 13.417 1.00 0.00 H new ATOM 73 N ASN A 5 -26.497 13.788 16.571 1.00 0.00 N ATOM 74 CA ASN A 5 -26.360 12.931 17.740 1.00 0.00 C ATOM 75 C ASN A 5 -25.120 12.040 17.585 1.00 0.00 C ATOM 76 O ASN A 5 -25.043 11.262 16.632 1.00 0.00 O ATOM 77 CB ASN A 5 -27.658 12.130 17.953 1.00 0.00 C ATOM 78 CG ASN A 5 -28.904 12.955 17.618 1.00 0.00 C ATOM 79 OD1 ASN A 5 -29.578 12.686 16.626 1.00 0.00 O ATOM 80 ND2 ASN A 5 -29.151 14.026 18.366 1.00 0.00 N ATOM 0 H ASN A 5 -27.378 13.652 16.075 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.209 13.531 18.637 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -27.638 11.235 17.331 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.712 11.797 18.989 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -29.919 14.652 18.123 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -28.573 14.222 19.183 1.00 0.00 H new ATOM 87 N ALA A 6 -24.145 12.193 18.494 1.00 0.00 N ATOM 88 CA ALA A 6 -22.881 11.469 18.485 1.00 0.00 C ATOM 89 C ALA A 6 -22.706 10.779 19.845 1.00 0.00 C ATOM 90 O ALA A 6 -23.659 10.580 20.599 1.00 0.00 O ATOM 91 CB ALA A 6 -21.718 12.422 18.110 1.00 0.00 C ATOM 0 H ALA A 6 -24.224 12.844 19.275 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.877 10.691 17.722 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.780 11.867 18.107 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.895 12.840 17.119 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.660 13.230 18.840 1.00 0.00 H new ATOM 97 N GLU A 7 -21.472 10.401 20.153 1.00 0.00 N ATOM 98 CA GLU A 7 -20.986 10.005 21.462 1.00 0.00 C ATOM 99 C GLU A 7 -19.502 10.363 21.445 1.00 0.00 C ATOM 100 O GLU A 7 -18.847 10.211 20.420 1.00 0.00 O ATOM 101 CB GLU A 7 -21.254 8.510 21.728 1.00 0.00 C ATOM 102 CG GLU A 7 -20.542 7.582 20.738 1.00 0.00 C ATOM 103 CD GLU A 7 -21.046 6.138 20.794 1.00 0.00 C ATOM 104 OE1 GLU A 7 -20.652 5.421 21.740 1.00 0.00 O ATOM 105 OE2 GLU A 7 -21.819 5.770 19.877 1.00 0.00 O ATOM 0 H GLU A 7 -20.738 10.361 19.446 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.497 10.515 22.279 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.933 8.265 22.740 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.327 8.326 21.680 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.677 7.968 19.727 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.472 7.594 20.944 1.00 0.00 H new ATOM 112 N VAL A 8 -18.972 10.871 22.552 1.00 0.00 N ATOM 113 CA VAL A 8 -17.571 11.266 22.702 1.00 0.00 C ATOM 114 C VAL A 8 -16.619 10.113 22.327 1.00 0.00 C ATOM 115 O VAL A 8 -16.966 8.938 22.469 1.00 0.00 O ATOM 116 CB VAL A 8 -17.360 11.737 24.154 1.00 0.00 C ATOM 117 CG1 VAL A 8 -18.175 12.993 24.496 1.00 0.00 C ATOM 118 CG2 VAL A 8 -17.797 10.654 25.146 1.00 0.00 C ATOM 0 H VAL A 8 -19.521 11.025 23.398 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.338 12.082 22.018 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.295 11.955 24.235 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.987 13.278 25.531 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.881 13.809 23.835 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -19.237 12.785 24.365 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -17.639 11.008 26.165 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -18.854 10.431 24.999 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.209 9.751 24.981 1.00 0.00 H new ATOM 128 N ARG A 9 -15.399 10.447 21.887 1.00 0.00 N ATOM 129 CA ARG A 9 -14.379 9.495 21.445 1.00 0.00 C ATOM 130 C ARG A 9 -13.024 9.747 22.105 1.00 0.00 C ATOM 131 O ARG A 9 -12.674 10.868 22.467 1.00 0.00 O ATOM 132 CB ARG A 9 -14.194 9.585 19.944 1.00 0.00 C ATOM 133 CG ARG A 9 -15.302 8.969 19.091 1.00 0.00 C ATOM 134 CD ARG A 9 -14.980 9.276 17.621 1.00 0.00 C ATOM 135 NE ARG A 9 -13.681 8.710 17.274 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.755 9.234 16.454 1.00 0.00 C ATOM 137 NH1 ARG A 9 -12.900 10.407 15.823 1.00 0.00 N ATOM 138 NH2 ARG A 9 -11.635 8.550 16.282 1.00 0.00 N ATOM 0 H ARG A 9 -15.088 11.417 21.828 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.732 8.505 21.736 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.097 10.636 19.673 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.252 9.101 19.685 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.358 7.893 19.254 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.272 9.384 19.365 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.753 8.860 16.975 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.973 10.354 17.457 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.449 7.814 17.703 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.751 10.955 15.954 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.160 10.752 15.212 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.501 7.661 16.764 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.906 8.912 15.668 1.00 0.00 H new ATOM 152 N LYS A 10 -12.273 8.647 22.221 1.00 0.00 N ATOM 153 CA LYS A 10 -10.979 8.499 22.866 1.00 0.00 C ATOM 154 C LYS A 10 -10.245 7.251 22.321 1.00 0.00 C ATOM 155 O LYS A 10 -9.275 6.798 22.921 1.00 0.00 O ATOM 156 CB LYS A 10 -11.193 8.439 24.391 1.00 0.00 C ATOM 157 CG LYS A 10 -12.022 7.241 24.893 1.00 0.00 C ATOM 158 CD LYS A 10 -13.458 7.545 25.354 1.00 0.00 C ATOM 159 CE LYS A 10 -14.445 7.920 24.235 1.00 0.00 C ATOM 160 NZ LYS A 10 -15.792 7.382 24.499 1.00 0.00 N ATOM 0 H LYS A 10 -12.591 7.761 21.828 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.341 9.354 22.644 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.218 8.414 24.877 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.685 9.359 24.709 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.070 6.501 24.095 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.487 6.780 25.724 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.845 6.672 25.879 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.425 8.362 26.075 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.497 9.005 24.143 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.079 7.537 23.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.473 7.815 23.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.787 6.351 24.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.067 7.599 25.478 1.00 0.00 H new ATOM 174 N GLU A 11 -10.738 6.678 21.208 1.00 0.00 N ATOM 175 CA GLU A 11 -10.331 5.391 20.634 1.00 0.00 C ATOM 176 C GLU A 11 -9.588 5.586 19.295 1.00 0.00 C ATOM 177 O GLU A 11 -9.445 4.646 18.513 1.00 0.00 O ATOM 178 CB GLU A 11 -11.572 4.485 20.427 1.00 0.00 C ATOM 179 CG GLU A 11 -12.678 4.493 21.502 1.00 0.00 C ATOM 180 CD GLU A 11 -12.280 3.976 22.886 1.00 0.00 C ATOM 181 OE1 GLU A 11 -11.171 3.418 23.023 1.00 0.00 O ATOM 182 OE2 GLU A 11 -13.124 4.149 23.795 1.00 0.00 O ATOM 0 H GLU A 11 -11.470 7.128 20.658 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.647 4.910 21.333 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.030 4.763 19.478 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.219 3.459 20.322 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.043 5.514 21.610 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.512 3.893 21.139 1.00 0.00 H new ATOM 189 N GLN A 12 -9.191 6.829 18.996 1.00 0.00 N ATOM 190 CA GLN A 12 -8.812 7.316 17.668 1.00 0.00 C ATOM 191 C GLN A 12 -7.611 6.621 17.026 1.00 0.00 C ATOM 192 O GLN A 12 -7.548 6.571 15.803 1.00 0.00 O ATOM 193 CB GLN A 12 -8.564 8.829 17.703 1.00 0.00 C ATOM 194 CG GLN A 12 -7.654 9.321 18.828 1.00 0.00 C ATOM 195 CD GLN A 12 -8.374 9.605 20.156 1.00 0.00 C ATOM 196 OE1 GLN A 12 -7.894 9.218 21.215 1.00 0.00 O ATOM 197 NE2 GLN A 12 -9.556 10.230 20.142 1.00 0.00 N ATOM 0 H GLN A 12 -9.123 7.555 19.709 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.665 7.069 17.036 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.130 9.130 16.750 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.525 9.335 17.789 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.879 8.575 19.003 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.152 10.231 18.500 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.953 10.551 19.259 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.061 10.386 21.014 1.00 0.00 H new ATOM 206 N GLY A 13 -6.714 6.063 17.843 1.00 0.00 N ATOM 207 CA GLY A 13 -5.482 5.349 17.483 1.00 0.00 C ATOM 208 C GLY A 13 -5.564 4.223 16.432 1.00 0.00 C ATOM 209 O GLY A 13 -4.514 3.674 16.108 1.00 0.00 O ATOM 0 H GLY A 13 -6.839 6.101 18.855 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.765 6.087 17.123 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.068 4.921 18.396 1.00 0.00 H new ATOM 213 N LYS A 14 -6.771 3.938 15.909 1.00 0.00 N ATOM 214 CA LYS A 14 -7.264 3.206 14.724 1.00 0.00 C ATOM 215 C LYS A 14 -8.527 2.426 15.081 1.00 0.00 C ATOM 216 O LYS A 14 -9.397 2.280 14.222 1.00 0.00 O ATOM 217 CB LYS A 14 -6.273 2.258 14.019 1.00 0.00 C ATOM 218 CG LYS A 14 -5.930 2.566 12.561 1.00 0.00 C ATOM 219 CD LYS A 14 -7.084 2.701 11.558 1.00 0.00 C ATOM 220 CE LYS A 14 -6.610 2.322 10.143 1.00 0.00 C ATOM 221 NZ LYS A 14 -5.343 2.973 9.754 1.00 0.00 N ATOM 0 H LYS A 14 -7.583 4.290 16.415 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.451 3.997 13.998 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.345 2.253 14.591 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.681 1.248 14.064 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.362 3.496 12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.267 1.779 12.202 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.911 2.057 11.856 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.460 3.724 11.561 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.486 1.241 10.087 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.384 2.592 9.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.168 2.814 8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.407 3.995 9.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.561 2.570 10.308 1.00 0.00 H new ATOM 235 N GLY A 15 -8.640 1.955 16.332 1.00 0.00 N ATOM 236 CA GLY A 15 -9.776 1.198 16.846 1.00 0.00 C ATOM 237 C GLY A 15 -11.121 1.880 16.578 1.00 0.00 C ATOM 238 O GLY A 15 -12.088 1.196 16.241 1.00 0.00 O ATOM 0 H GLY A 15 -7.913 2.099 17.033 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.781 0.207 16.392 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.655 1.056 17.920 1.00 0.00 H new ATOM 242 N ALA A 16 -11.174 3.218 16.669 1.00 0.00 N ATOM 243 CA ALA A 16 -12.339 4.011 16.306 1.00 0.00 C ATOM 244 C ALA A 16 -12.675 3.839 14.829 1.00 0.00 C ATOM 245 O ALA A 16 -13.792 3.478 14.476 1.00 0.00 O ATOM 246 CB ALA A 16 -12.110 5.491 16.583 1.00 0.00 C ATOM 0 H ALA A 16 -10.391 3.780 17.003 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.169 3.654 16.916 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.999 6.056 16.301 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.910 5.636 17.645 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.257 5.842 16.002 1.00 0.00 H new ATOM 252 N SER A 17 -11.708 4.099 13.952 1.00 0.00 N ATOM 253 CA SER A 17 -11.941 4.176 12.519 1.00 0.00 C ATOM 254 C SER A 17 -12.572 2.885 11.980 1.00 0.00 C ATOM 255 O SER A 17 -13.361 2.953 11.038 1.00 0.00 O ATOM 256 CB SER A 17 -10.620 4.527 11.829 1.00 0.00 C ATOM 257 OG SER A 17 -10.225 5.824 12.230 1.00 0.00 O ATOM 0 H SER A 17 -10.738 4.262 14.221 1.00 0.00 H new ATOM 0 HA SER A 17 -12.664 4.962 12.302 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.852 3.800 12.093 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.738 4.487 10.746 1.00 0.00 H new ATOM 0 HG SER A 17 -9.379 6.057 11.795 1.00 0.00 H new ATOM 263 N ARG A 18 -12.310 1.740 12.628 1.00 0.00 N ATOM 264 CA ARG A 18 -12.796 0.426 12.246 1.00 0.00 C ATOM 265 C ARG A 18 -14.054 -0.006 13.001 1.00 0.00 C ATOM 266 O ARG A 18 -14.865 -0.665 12.367 1.00 0.00 O ATOM 267 CB ARG A 18 -11.656 -0.607 12.290 1.00 0.00 C ATOM 268 CG ARG A 18 -10.945 -0.833 13.639 1.00 0.00 C ATOM 269 CD ARG A 18 -11.652 -1.738 14.659 1.00 0.00 C ATOM 270 NE ARG A 18 -11.990 -3.053 14.093 1.00 0.00 N ATOM 271 CZ ARG A 18 -12.012 -4.234 14.730 1.00 0.00 C ATOM 272 NH1 ARG A 18 -11.654 -4.357 16.013 1.00 0.00 N ATOM 273 NH2 ARG A 18 -12.405 -5.313 14.049 1.00 0.00 N ATOM 0 H ARG A 18 -11.729 1.714 13.466 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.130 0.490 11.210 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.058 -1.564 11.958 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.904 -0.307 11.560 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.961 -1.256 13.436 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.784 0.140 14.104 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.010 -1.873 15.529 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.562 -1.249 15.007 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.236 -3.069 13.103 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.352 -3.537 16.539 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.683 -5.271 16.465 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.679 -5.227 13.070 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.432 -6.224 14.508 1.00 0.00 H new ATOM 287 N ARG A 19 -14.290 0.375 14.273 1.00 0.00 N ATOM 288 CA ARG A 19 -15.579 0.082 14.941 1.00 0.00 C ATOM 289 C ARG A 19 -16.700 0.857 14.254 1.00 0.00 C ATOM 290 O ARG A 19 -17.790 0.337 14.021 1.00 0.00 O ATOM 291 CB ARG A 19 -15.578 0.402 16.454 1.00 0.00 C ATOM 292 CG ARG A 19 -15.373 1.888 16.778 1.00 0.00 C ATOM 293 CD ARG A 19 -15.171 2.181 18.254 1.00 0.00 C ATOM 294 NE ARG A 19 -16.429 2.556 18.910 1.00 0.00 N ATOM 295 CZ ARG A 19 -16.844 2.253 20.149 1.00 0.00 C ATOM 296 NH1 ARG A 19 -16.196 1.357 20.900 1.00 0.00 N ATOM 297 NH2 ARG A 19 -17.920 2.873 20.639 1.00 0.00 N ATOM 0 H ARG A 19 -13.618 0.878 14.852 1.00 0.00 H new ATOM 0 HA ARG A 19 -15.740 -0.992 14.850 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.524 0.074 16.885 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -14.790 -0.177 16.937 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.508 2.253 16.225 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -16.238 2.448 16.423 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.752 1.303 18.745 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -14.446 2.987 18.369 1.00 0.00 H new ATOM 0 HE ARG A 19 -17.070 3.120 18.352 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -15.368 0.888 20.533 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -16.530 1.142 21.840 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -18.412 3.564 20.073 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -18.250 2.655 21.579 1.00 0.00 H new ATOM 311 N LEU A 20 -16.397 2.114 13.934 1.00 0.00 N ATOM 312 CA LEU A 20 -17.311 3.050 13.322 1.00 0.00 C ATOM 313 C LEU A 20 -17.772 2.543 11.961 1.00 0.00 C ATOM 314 O LEU A 20 -18.971 2.298 11.806 1.00 0.00 O ATOM 315 CB LEU A 20 -16.672 4.445 13.284 1.00 0.00 C ATOM 316 CG LEU A 20 -16.890 5.172 14.633 1.00 0.00 C ATOM 317 CD1 LEU A 20 -15.657 5.532 15.451 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.545 6.514 14.380 1.00 0.00 C ATOM 0 H LEU A 20 -15.474 2.513 14.104 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.217 3.137 13.922 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.605 4.358 13.078 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.107 5.030 12.473 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.471 4.440 15.195 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.963 6.036 16.368 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.109 4.624 15.701 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.016 6.195 14.870 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.700 7.028 15.329 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.901 7.118 13.741 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.506 6.363 13.888 1.00 0.00 H new ATOM 330 N ARG A 21 -16.857 2.328 11.000 1.00 0.00 N ATOM 331 CA ARG A 21 -17.271 1.774 9.710 1.00 0.00 C ATOM 332 C ARG A 21 -17.777 0.335 9.827 1.00 0.00 C ATOM 333 O ARG A 21 -18.527 -0.093 8.952 1.00 0.00 O ATOM 334 CB ARG A 21 -16.186 1.946 8.630 1.00 0.00 C ATOM 335 CG ARG A 21 -15.137 0.817 8.566 1.00 0.00 C ATOM 336 CD ARG A 21 -13.923 1.202 7.706 1.00 0.00 C ATOM 337 NE ARG A 21 -13.203 2.314 8.337 1.00 0.00 N ATOM 338 CZ ARG A 21 -12.382 3.221 7.795 1.00 0.00 C ATOM 339 NH1 ARG A 21 -11.892 3.074 6.562 1.00 0.00 N ATOM 340 NH2 ARG A 21 -12.065 4.292 8.526 1.00 0.00 N ATOM 0 H ARG A 21 -15.860 2.523 11.090 1.00 0.00 H new ATOM 0 HA ARG A 21 -18.126 2.361 9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.673 2.023 7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.670 2.890 8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.803 0.575 9.575 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.598 -0.083 8.159 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.260 0.345 7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.249 1.488 6.706 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.351 2.410 9.342 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.142 2.255 6.008 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.268 3.781 6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.446 4.399 9.466 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.442 5.004 8.144 1.00 0.00 H new ATOM 354 N ALA A 22 -17.430 -0.383 10.910 1.00 0.00 N ATOM 355 CA ALA A 22 -18.016 -1.704 11.152 1.00 0.00 C ATOM 356 C ALA A 22 -19.495 -1.651 11.562 1.00 0.00 C ATOM 357 O ALA A 22 -20.173 -2.673 11.463 1.00 0.00 O ATOM 358 CB ALA A 22 -17.204 -2.464 12.199 1.00 0.00 C ATOM 0 H ALA A 22 -16.761 -0.075 11.615 1.00 0.00 H new ATOM 0 HA ALA A 22 -17.978 -2.234 10.200 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -17.653 -3.443 12.367 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.181 -2.590 11.845 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.198 -1.902 13.133 1.00 0.00 H new ATOM 364 N ALA A 23 -20.003 -0.488 11.991 1.00 0.00 N ATOM 365 CA ALA A 23 -21.401 -0.283 12.331 1.00 0.00 C ATOM 366 C ALA A 23 -22.150 0.306 11.143 1.00 0.00 C ATOM 367 O ALA A 23 -23.181 -0.247 10.765 1.00 0.00 O ATOM 368 CB ALA A 23 -21.504 0.664 13.527 1.00 0.00 C ATOM 0 H ALA A 23 -19.434 0.350 12.111 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.848 -1.243 12.588 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.553 0.817 13.781 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -20.984 0.230 14.381 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -21.049 1.621 13.273 1.00 0.00 H new ATOM 374 N ASN A 24 -21.622 1.429 10.620 1.00 0.00 N ATOM 375 CA ASN A 24 -22.144 2.415 9.660 1.00 0.00 C ATOM 376 C ASN A 24 -21.843 3.860 10.076 1.00 0.00 C ATOM 377 O ASN A 24 -22.070 4.789 9.301 1.00 0.00 O ATOM 378 CB ASN A 24 -23.651 2.301 9.379 1.00 0.00 C ATOM 379 CG ASN A 24 -24.542 2.784 10.531 1.00 0.00 C ATOM 380 OD1 ASN A 24 -24.833 3.970 10.651 1.00 0.00 O ATOM 381 ND2 ASN A 24 -24.992 1.873 11.388 1.00 0.00 N ATOM 0 H ASN A 24 -20.682 1.702 10.906 1.00 0.00 H new ATOM 0 HA ASN A 24 -21.611 2.169 8.741 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.887 2.878 8.485 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -23.891 1.261 9.160 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -25.591 2.155 12.164 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.738 0.892 11.270 1.00 0.00 H new ATOM 388 N LYS A 25 -21.346 4.049 11.299 1.00 0.00 N ATOM 389 CA LYS A 25 -20.933 5.325 11.840 1.00 0.00 C ATOM 390 C LYS A 25 -19.594 5.696 11.184 1.00 0.00 C ATOM 391 O LYS A 25 -19.005 4.913 10.435 1.00 0.00 O ATOM 392 CB LYS A 25 -20.895 5.213 13.381 1.00 0.00 C ATOM 393 CG LYS A 25 -22.275 4.850 13.969 1.00 0.00 C ATOM 394 CD LYS A 25 -22.370 4.988 15.499 1.00 0.00 C ATOM 395 CE LYS A 25 -22.356 6.461 15.929 1.00 0.00 C ATOM 396 NZ LYS A 25 -22.692 6.651 17.357 1.00 0.00 N ATOM 0 H LYS A 25 -21.219 3.281 11.958 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.627 6.136 11.617 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.167 4.456 13.672 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.558 6.159 13.805 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -23.031 5.488 13.511 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.515 3.823 13.693 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.285 4.513 15.853 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.537 4.463 15.966 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.369 6.881 15.735 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -23.065 7.019 15.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.378 7.593 17.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -23.721 6.570 17.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.214 5.924 17.926 1.00 0.00 H new ATOM 410 N PHE A 26 -19.106 6.906 11.442 1.00 0.00 N ATOM 411 CA PHE A 26 -17.813 7.370 10.951 1.00 0.00 C ATOM 412 C PHE A 26 -17.321 8.490 11.892 1.00 0.00 C ATOM 413 O PHE A 26 -18.139 9.120 12.576 1.00 0.00 O ATOM 414 CB PHE A 26 -17.925 7.828 9.483 1.00 0.00 C ATOM 415 CG PHE A 26 -18.375 9.261 9.379 1.00 0.00 C ATOM 416 CD1 PHE A 26 -19.615 9.624 9.925 1.00 0.00 C ATOM 417 CD2 PHE A 26 -17.471 10.251 8.959 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.905 10.968 10.150 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.781 11.600 9.176 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.962 11.953 9.833 1.00 0.00 C ATOM 0 H PHE A 26 -19.602 7.598 12.003 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.080 6.563 10.958 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.959 7.713 8.991 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.630 7.186 8.954 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.342 8.864 10.170 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.546 9.975 8.474 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.859 11.251 10.570 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.105 12.369 8.834 1.00 0.00 H new ATOM 0 HZ PHE A 26 -19.147 12.984 10.096 1.00 0.00 H new ATOM 430 N PRO A 27 -15.997 8.700 12.005 1.00 0.00 N ATOM 431 CA PRO A 27 -15.442 9.627 12.984 1.00 0.00 C ATOM 432 C PRO A 27 -15.668 11.094 12.605 1.00 0.00 C ATOM 433 O PRO A 27 -15.755 11.443 11.429 1.00 0.00 O ATOM 434 CB PRO A 27 -13.948 9.295 13.042 1.00 0.00 C ATOM 435 CG PRO A 27 -13.652 8.629 11.700 1.00 0.00 C ATOM 436 CD PRO A 27 -14.945 7.864 11.446 1.00 0.00 C ATOM 0 HA PRO A 27 -15.933 9.512 13.950 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.347 10.194 13.180 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.721 8.629 13.874 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.447 9.359 10.917 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.788 7.967 11.753 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.100 7.695 10.380 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.924 6.885 11.924 1.00 0.00 H new ATOM 444 N ALA A 28 -15.667 11.957 13.626 1.00 0.00 N ATOM 445 CA ALA A 28 -15.514 13.400 13.496 1.00 0.00 C ATOM 446 C ALA A 28 -14.682 13.964 14.659 1.00 0.00 C ATOM 447 O ALA A 28 -14.315 13.221 15.577 1.00 0.00 O ATOM 448 CB ALA A 28 -16.893 14.065 13.394 1.00 0.00 C ATOM 0 H ALA A 28 -15.776 11.656 14.594 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.970 13.624 12.579 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.770 15.144 13.297 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.419 13.680 12.521 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.470 13.845 14.292 1.00 0.00 H new ATOM 454 N ILE A 29 -14.439 15.284 14.635 1.00 0.00 N ATOM 455 CA ILE A 29 -13.768 16.045 15.695 1.00 0.00 C ATOM 456 C ILE A 29 -14.523 17.338 15.992 1.00 0.00 C ATOM 457 O ILE A 29 -15.215 17.872 15.128 1.00 0.00 O ATOM 458 CB ILE A 29 -12.294 16.295 15.315 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.374 16.916 16.385 1.00 0.00 C ATOM 460 CG2 ILE A 29 -12.162 17.215 14.108 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.191 16.071 17.636 1.00 0.00 C ATOM 0 H ILE A 29 -14.715 15.870 13.847 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.772 15.462 16.616 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.964 15.272 15.136 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.396 17.099 15.941 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.779 17.886 16.674 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.107 17.363 13.877 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.662 16.764 13.251 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.623 18.177 14.332 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.529 16.588 18.331 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.159 15.908 18.110 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.754 15.110 17.365 1.00 0.00 H new ATOM 473 N ILE A 30 -14.338 17.845 17.214 1.00 0.00 N ATOM 474 CA ILE A 30 -14.898 19.097 17.713 1.00 0.00 C ATOM 475 C ILE A 30 -13.723 19.930 18.217 1.00 0.00 C ATOM 476 O ILE A 30 -13.445 19.918 19.413 1.00 0.00 O ATOM 477 CB ILE A 30 -16.029 18.868 18.767 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.244 18.313 17.993 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.385 20.174 19.501 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.506 17.960 18.793 1.00 0.00 C ATOM 0 H ILE A 30 -13.767 17.369 17.912 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.411 19.644 16.922 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.705 18.168 19.537 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.522 19.047 17.237 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.922 17.416 17.464 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.175 19.980 20.227 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.503 20.553 20.017 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.730 20.915 18.779 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.273 17.584 18.116 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.267 17.195 19.531 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.876 18.851 19.301 1.00 0.00 H new ATOM 492 N TYR A 31 -13.013 20.615 17.310 1.00 0.00 N ATOM 493 CA TYR A 31 -11.831 21.403 17.647 1.00 0.00 C ATOM 494 C TYR A 31 -12.152 22.875 17.924 1.00 0.00 C ATOM 495 O TYR A 31 -13.311 23.252 18.055 1.00 0.00 O ATOM 496 CB TYR A 31 -10.642 21.101 16.722 1.00 0.00 C ATOM 497 CG TYR A 31 -10.597 21.541 15.264 1.00 0.00 C ATOM 498 CD1 TYR A 31 -10.990 22.823 14.838 1.00 0.00 C ATOM 499 CD2 TYR A 31 -9.981 20.682 14.336 1.00 0.00 C ATOM 500 CE1 TYR A 31 -10.818 23.220 13.497 1.00 0.00 C ATOM 501 CE2 TYR A 31 -9.712 21.108 13.024 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.167 22.365 12.580 1.00 0.00 C ATOM 503 OH TYR A 31 -9.973 22.731 11.280 1.00 0.00 O ATOM 0 H TYR A 31 -13.248 20.635 16.318 1.00 0.00 H new ATOM 0 HA TYR A 31 -11.466 21.068 18.618 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.760 21.526 17.202 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.515 20.018 16.723 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.428 23.510 15.547 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.711 19.680 14.636 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.185 24.181 13.169 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.155 20.470 12.354 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.507 22.012 10.804 1.00 0.00 H new ATOM 574 N PRO A 37 -9.734 19.924 21.541 1.00 0.00 N ATOM 575 CA PRO A 37 -10.765 19.215 20.806 1.00 0.00 C ATOM 576 C PRO A 37 -11.541 18.144 21.566 1.00 0.00 C ATOM 577 O PRO A 37 -11.269 17.848 22.730 1.00 0.00 O ATOM 578 CB PRO A 37 -10.092 18.574 19.599 1.00 0.00 C ATOM 579 CG PRO A 37 -8.682 19.110 19.587 1.00 0.00 C ATOM 580 CD PRO A 37 -8.589 20.134 20.686 1.00 0.00 C ATOM 0 HA PRO A 37 -11.521 19.960 20.557 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.097 17.487 19.679 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.616 18.828 18.677 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.963 18.307 19.747 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.449 19.559 18.621 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.661 20.019 21.246 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.591 21.144 20.276 1.00 0.00 H new ATOM 588 N LEU A 38 -12.493 17.528 20.849 1.00 0.00 N ATOM 589 CA LEU A 38 -13.214 16.364 21.323 1.00 0.00 C ATOM 590 C LEU A 38 -13.726 15.576 20.123 1.00 0.00 C ATOM 591 O LEU A 38 -14.628 16.015 19.417 1.00 0.00 O ATOM 592 CB LEU A 38 -14.344 16.796 22.264 1.00 0.00 C ATOM 593 CG LEU A 38 -15.076 15.561 22.828 1.00 0.00 C ATOM 594 CD1 LEU A 38 -15.262 15.724 24.324 1.00 0.00 C ATOM 595 CD2 LEU A 38 -16.449 15.353 22.204 1.00 0.00 C ATOM 0 H LEU A 38 -12.777 17.835 19.919 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.554 15.713 21.897 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.937 17.391 23.082 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.049 17.431 21.728 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.458 14.695 22.591 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.779 14.852 24.724 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.288 15.819 24.804 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.853 16.618 24.522 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -16.917 14.470 22.639 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.072 16.226 22.397 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.342 15.214 21.128 1.00 0.00 H new ATOM 607 N ALA A 39 -13.134 14.411 19.870 1.00 0.00 N ATOM 608 CA ALA A 39 -13.631 13.502 18.854 1.00 0.00 C ATOM 609 C ALA A 39 -15.033 13.006 19.242 1.00 0.00 C ATOM 610 O ALA A 39 -15.296 12.834 20.432 1.00 0.00 O ATOM 611 CB ALA A 39 -12.606 12.383 18.706 1.00 0.00 C ATOM 0 H ALA A 39 -12.304 14.078 20.361 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.747 13.989 17.886 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.945 11.677 17.948 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.647 12.805 18.405 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.492 11.866 19.659 1.00 0.00 H new ATOM 617 N ILE A 40 -15.930 12.750 18.273 1.00 0.00 N ATOM 618 CA ILE A 40 -17.242 12.179 18.487 1.00 0.00 C ATOM 619 C ILE A 40 -17.510 11.169 17.362 1.00 0.00 C ATOM 620 O ILE A 40 -17.072 11.334 16.221 1.00 0.00 O ATOM 621 CB ILE A 40 -18.329 13.274 18.503 1.00 0.00 C ATOM 622 CG1 ILE A 40 -18.544 14.058 17.190 1.00 0.00 C ATOM 623 CG2 ILE A 40 -18.169 14.218 19.687 1.00 0.00 C ATOM 624 CD1 ILE A 40 -17.392 14.975 16.784 1.00 0.00 C ATOM 0 H ILE A 40 -15.740 12.947 17.290 1.00 0.00 H new ATOM 0 HA ILE A 40 -17.273 11.682 19.456 1.00 0.00 H new ATOM 0 HB ILE A 40 -19.249 12.700 18.617 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.721 13.345 16.385 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -19.448 14.659 17.288 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.955 14.973 19.659 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -18.242 13.652 20.616 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -17.196 14.706 19.635 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.640 15.480 15.850 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -17.225 15.717 17.565 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -16.487 14.383 16.647 1.00 0.00 H new ATOM 636 N GLU A 41 -18.233 10.115 17.720 1.00 0.00 N ATOM 637 CA GLU A 41 -18.640 8.973 16.932 1.00 0.00 C ATOM 638 C GLU A 41 -20.110 9.175 16.572 1.00 0.00 C ATOM 639 O GLU A 41 -20.976 9.062 17.439 1.00 0.00 O ATOM 640 CB GLU A 41 -18.338 7.713 17.782 1.00 0.00 C ATOM 641 CG GLU A 41 -19.174 6.440 17.562 1.00 0.00 C ATOM 642 CD GLU A 41 -18.518 5.225 18.227 1.00 0.00 C ATOM 643 OE1 GLU A 41 -18.072 5.357 19.386 1.00 0.00 O ATOM 644 OE2 GLU A 41 -18.448 4.159 17.579 1.00 0.00 O ATOM 0 H GLU A 41 -18.583 10.038 18.675 1.00 0.00 H new ATOM 0 HA GLU A 41 -18.106 8.853 15.990 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.293 7.451 17.620 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.437 7.993 18.831 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.175 6.584 17.969 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.287 6.256 16.494 1.00 0.00 H new ATOM 651 N LEU A 42 -20.391 9.514 15.306 1.00 0.00 N ATOM 652 CA LEU A 42 -21.745 9.835 14.854 1.00 0.00 C ATOM 653 C LEU A 42 -22.152 9.021 13.634 1.00 0.00 C ATOM 654 O LEU A 42 -21.335 8.382 12.972 1.00 0.00 O ATOM 655 CB LEU A 42 -21.947 11.343 14.610 1.00 0.00 C ATOM 656 CG LEU A 42 -21.292 11.918 13.344 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.945 13.251 13.004 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.787 12.150 13.481 1.00 0.00 C ATOM 0 H LEU A 42 -19.686 9.572 14.571 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.407 9.553 15.672 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -23.018 11.542 14.563 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.560 11.885 15.473 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.439 11.176 12.560 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.484 13.664 12.107 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -23.010 13.100 12.828 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.809 13.945 13.833 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.395 12.557 12.549 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.600 12.855 14.291 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.292 11.204 13.701 1.00 0.00 H new ATOM 670 N ASP A 43 -23.452 9.091 13.349 1.00 0.00 N ATOM 671 CA ASP A 43 -24.111 8.459 12.231 1.00 0.00 C ATOM 672 C ASP A 43 -23.659 9.164 10.952 1.00 0.00 C ATOM 673 O ASP A 43 -23.794 10.385 10.825 1.00 0.00 O ATOM 674 CB ASP A 43 -25.620 8.615 12.471 1.00 0.00 C ATOM 675 CG ASP A 43 -26.530 7.933 11.447 1.00 0.00 C ATOM 676 OD1 ASP A 43 -26.080 7.686 10.308 1.00 0.00 O ATOM 677 OD2 ASP A 43 -27.705 7.719 11.818 1.00 0.00 O ATOM 0 H ASP A 43 -24.100 9.622 13.931 1.00 0.00 H new ATOM 0 HA ASP A 43 -23.868 7.401 12.131 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.855 8.219 13.459 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.858 9.679 12.489 1.00 0.00 H new ATOM 682 N HIS A 44 -23.113 8.385 10.015 1.00 0.00 N ATOM 683 CA HIS A 44 -22.700 8.879 8.715 1.00 0.00 C ATOM 684 C HIS A 44 -23.906 9.300 7.889 1.00 0.00 C ATOM 685 O HIS A 44 -23.897 10.393 7.331 1.00 0.00 O ATOM 686 CB HIS A 44 -21.911 7.793 7.983 1.00 0.00 C ATOM 687 CG HIS A 44 -21.344 8.205 6.645 1.00 0.00 C ATOM 688 ND1 HIS A 44 -21.789 9.236 5.846 1.00 0.00 N ATOM 689 CD2 HIS A 44 -20.310 7.595 5.989 1.00 0.00 C ATOM 690 CE1 HIS A 44 -21.050 9.239 4.733 1.00 0.00 C ATOM 691 NE2 HIS A 44 -20.134 8.260 4.773 1.00 0.00 N ATOM 0 H HIS A 44 -22.947 7.387 10.146 1.00 0.00 H new ATOM 0 HA HIS A 44 -22.065 9.754 8.857 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -21.091 7.468 8.623 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.561 6.931 7.835 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -22.547 9.882 6.065 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -19.735 6.753 6.346 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -21.173 9.933 3.915 1.00 0.00 H new ATOM 699 N ASP A 45 -24.906 8.430 7.742 1.00 0.00 N ATOM 700 CA ASP A 45 -26.015 8.682 6.840 1.00 0.00 C ATOM 701 C ASP A 45 -26.899 9.827 7.349 1.00 0.00 C ATOM 702 O ASP A 45 -27.473 10.563 6.545 1.00 0.00 O ATOM 703 CB ASP A 45 -26.796 7.383 6.660 1.00 0.00 C ATOM 704 CG ASP A 45 -27.386 7.304 5.251 1.00 0.00 C ATOM 705 OD1 ASP A 45 -26.573 7.135 4.309 1.00 0.00 O ATOM 706 OD2 ASP A 45 -28.624 7.413 5.129 1.00 0.00 O ATOM 0 H ASP A 45 -24.965 7.543 8.241 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.638 9.005 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -26.140 6.530 6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.595 7.327 7.399 1.00 0.00 H new ATOM 711 N LYS A 46 -26.914 10.034 8.677 1.00 0.00 N ATOM 712 CA LYS A 46 -27.391 11.258 9.308 1.00 0.00 C ATOM 713 C LYS A 46 -26.537 12.417 8.797 1.00 0.00 C ATOM 714 O LYS A 46 -27.043 13.178 7.976 1.00 0.00 O ATOM 715 CB LYS A 46 -27.336 11.126 10.838 1.00 0.00 C ATOM 716 CG LYS A 46 -27.844 12.356 11.593 1.00 0.00 C ATOM 717 CD LYS A 46 -27.455 12.442 13.076 1.00 0.00 C ATOM 718 CE LYS A 46 -27.883 11.286 13.970 1.00 0.00 C ATOM 719 NZ LYS A 46 -29.344 11.206 14.153 1.00 0.00 N ATOM 0 H LYS A 46 -26.587 9.337 9.346 1.00 0.00 H new ATOM 0 HA LYS A 46 -28.433 11.447 9.050 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.926 10.260 11.138 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -26.307 10.929 11.138 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -27.472 13.247 11.088 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.931 12.379 11.521 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -26.371 12.534 13.137 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -27.877 13.360 13.484 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.525 10.350 13.540 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.406 11.392 14.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -29.632 10.209 14.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -29.612 11.699 15.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -29.820 11.654 13.344 1.00 0.00 H new ATOM 733 N VAL A 47 -25.277 12.578 9.256 1.00 0.00 N ATOM 734 CA VAL A 47 -24.513 13.790 8.955 1.00 0.00 C ATOM 735 C VAL A 47 -24.378 14.084 7.461 1.00 0.00 C ATOM 736 O VAL A 47 -24.225 15.235 7.074 1.00 0.00 O ATOM 737 CB VAL A 47 -23.134 13.755 9.600 1.00 0.00 C ATOM 738 CG1 VAL A 47 -22.146 12.927 8.814 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.579 15.172 9.771 1.00 0.00 C ATOM 0 H VAL A 47 -24.781 11.892 9.826 1.00 0.00 H new ATOM 0 HA VAL A 47 -25.096 14.604 9.385 1.00 0.00 H new ATOM 0 HB VAL A 47 -23.264 13.286 10.575 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -21.180 12.937 9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.507 11.901 8.742 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -22.036 13.345 7.813 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.593 15.123 10.234 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.499 15.652 8.795 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -23.249 15.751 10.406 1.00 0.00 H new ATOM 749 N MET A 48 -24.419 13.049 6.627 1.00 0.00 N ATOM 750 CA MET A 48 -24.493 13.169 5.188 1.00 0.00 C ATOM 751 C MET A 48 -25.620 14.126 4.834 1.00 0.00 C ATOM 752 O MET A 48 -25.347 15.191 4.300 1.00 0.00 O ATOM 753 CB MET A 48 -24.632 11.803 4.511 1.00 0.00 C ATOM 754 CG MET A 48 -25.126 11.922 3.062 1.00 0.00 C ATOM 755 SD MET A 48 -24.359 13.115 1.922 1.00 0.00 S ATOM 756 CE MET A 48 -22.611 12.774 2.167 1.00 0.00 C ATOM 0 H MET A 48 -24.401 12.081 6.949 1.00 0.00 H new ATOM 0 HA MET A 48 -23.560 13.582 4.805 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.669 11.293 4.524 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.327 11.186 5.081 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.032 10.936 2.608 1.00 0.00 H new ATOM 0 HG3 MET A 48 -26.190 12.154 3.103 1.00 0.00 H new ATOM 0 HE1 MET A 48 -22.028 13.660 1.913 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.434 12.510 3.210 1.00 0.00 H new ATOM 0 HE3 MET A 48 -22.309 11.945 1.527 1.00 0.00 H new ATOM 766 N ASN A 49 -26.861 13.794 5.185 1.00 0.00 N ATOM 767 CA ASN A 49 -28.004 14.656 4.936 1.00 0.00 C ATOM 768 C ASN A 49 -27.869 16.042 5.574 1.00 0.00 C ATOM 769 O ASN A 49 -28.542 16.977 5.138 1.00 0.00 O ATOM 770 CB ASN A 49 -29.235 13.952 5.506 1.00 0.00 C ATOM 771 CG ASN A 49 -30.547 14.684 5.271 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.864 15.092 4.158 1.00 0.00 O ATOM 773 ND2 ASN A 49 -31.341 14.817 6.329 1.00 0.00 N ATOM 0 H ASN A 49 -27.098 12.918 5.650 1.00 0.00 H new ATOM 0 HA ASN A 49 -28.081 14.823 3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -29.305 12.957 5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -29.096 13.817 6.579 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -32.249 15.271 6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -31.042 14.465 7.238 1.00 0.00 H new ATOM 780 N MET A 50 -27.009 16.193 6.590 1.00 0.00 N ATOM 781 CA MET A 50 -26.840 17.426 7.299 1.00 0.00 C ATOM 782 C MET A 50 -25.883 18.318 6.492 1.00 0.00 C ATOM 783 O MET A 50 -26.316 19.303 5.913 1.00 0.00 O ATOM 784 CB MET A 50 -26.340 17.075 8.705 1.00 0.00 C ATOM 785 CG MET A 50 -27.166 16.075 9.486 1.00 0.00 C ATOM 786 SD MET A 50 -28.818 16.585 10.005 1.00 0.00 S ATOM 787 CE MET A 50 -28.687 16.053 11.728 1.00 0.00 C ATOM 0 H MET A 50 -26.412 15.440 6.932 1.00 0.00 H new ATOM 0 HA MET A 50 -27.764 17.993 7.413 1.00 0.00 H new ATOM 0 HB2 MET A 50 -25.325 16.686 8.619 1.00 0.00 H new ATOM 0 HB3 MET A 50 -26.280 17.996 9.286 1.00 0.00 H new ATOM 0 HG2 MET A 50 -27.267 15.175 8.880 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.604 15.797 10.378 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.659 15.703 12.076 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.961 15.244 11.805 1.00 0.00 H new ATOM 0 HE3 MET A 50 -28.362 16.891 12.344 1.00 0.00 H new ATOM 797 N GLN A 51 -24.601 17.942 6.377 1.00 0.00 N ATOM 798 CA GLN A 51 -23.550 18.573 5.559 1.00 0.00 C ATOM 799 C GLN A 51 -23.958 18.732 4.090 1.00 0.00 C ATOM 800 O GLN A 51 -23.368 19.548 3.382 1.00 0.00 O ATOM 801 CB GLN A 51 -22.262 17.726 5.761 1.00 0.00 C ATOM 802 CG GLN A 51 -21.281 17.513 4.600 1.00 0.00 C ATOM 803 CD GLN A 51 -21.828 16.726 3.414 1.00 0.00 C ATOM 804 OE1 GLN A 51 -21.438 16.975 2.280 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.717 15.769 3.650 1.00 0.00 N ATOM 0 H GLN A 51 -24.245 17.134 6.887 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.372 19.599 5.882 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.701 18.182 6.577 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -22.576 16.740 6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.949 18.488 4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -20.400 16.996 4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -23.024 15.583 4.605 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -23.093 15.220 2.877 1.00 0.00 H new ATOM 814 N ALA A 52 -24.975 17.988 3.643 1.00 0.00 N ATOM 815 CA ALA A 52 -25.549 18.066 2.328 1.00 0.00 C ATOM 816 C ALA A 52 -26.312 19.375 2.095 1.00 0.00 C ATOM 817 O ALA A 52 -26.713 19.600 0.952 1.00 0.00 O ATOM 818 CB ALA A 52 -26.433 16.845 2.076 1.00 0.00 C ATOM 0 H ALA A 52 -25.430 17.287 4.228 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.732 18.065 1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.866 16.909 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.832 15.939 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -27.232 16.815 2.817 1.00 0.00 H new ATOM 824 N LYS A 53 -26.484 20.253 3.108 1.00 0.00 N ATOM 825 CA LYS A 53 -26.937 21.614 2.836 1.00 0.00 C ATOM 826 C LYS A 53 -25.920 22.626 3.342 1.00 0.00 C ATOM 827 O LYS A 53 -25.097 22.319 4.203 1.00 0.00 O ATOM 828 CB LYS A 53 -28.343 21.845 3.396 1.00 0.00 C ATOM 829 CG LYS A 53 -28.419 21.882 4.931 1.00 0.00 C ATOM 830 CD LYS A 53 -28.920 20.587 5.562 1.00 0.00 C ATOM 831 CE LYS A 53 -30.440 20.531 5.772 1.00 0.00 C ATOM 832 NZ LYS A 53 -31.202 20.667 4.516 1.00 0.00 N ATOM 0 H LYS A 53 -26.318 20.042 4.092 1.00 0.00 H new ATOM 0 HA LYS A 53 -27.011 21.756 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -28.727 22.786 3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -29.000 21.056 3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.429 22.107 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -29.076 22.698 5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -28.622 19.750 4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.427 20.452 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -30.701 19.586 6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -30.736 21.325 6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -32.183 20.356 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -31.197 21.662 4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -30.764 20.079 3.779 1.00 0.00 H new ATOM 846 N ALA A 54 -26.006 23.853 2.820 1.00 0.00 N ATOM 847 CA ALA A 54 -25.094 24.910 3.223 1.00 0.00 C ATOM 848 C ALA A 54 -25.400 25.452 4.612 1.00 0.00 C ATOM 849 O ALA A 54 -24.485 25.915 5.289 1.00 0.00 O ATOM 850 CB ALA A 54 -25.124 26.044 2.195 1.00 0.00 C ATOM 0 H ALA A 54 -26.696 24.131 2.122 1.00 0.00 H new ATOM 0 HA ALA A 54 -24.095 24.475 3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -24.438 26.833 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.821 25.660 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.134 26.447 2.128 1.00 0.00 H new ATOM 856 N GLU A 55 -26.653 25.318 5.059 1.00 0.00 N ATOM 857 CA GLU A 55 -27.111 25.620 6.405 1.00 0.00 C ATOM 858 C GLU A 55 -26.286 24.867 7.460 1.00 0.00 C ATOM 859 O GLU A 55 -26.213 25.285 8.607 1.00 0.00 O ATOM 860 CB GLU A 55 -28.590 25.217 6.573 1.00 0.00 C ATOM 861 CG GLU A 55 -29.544 25.505 5.395 1.00 0.00 C ATOM 862 CD GLU A 55 -30.908 24.829 5.603 1.00 0.00 C ATOM 863 OE1 GLU A 55 -31.628 25.255 6.531 1.00 0.00 O ATOM 864 OE2 GLU A 55 -31.202 23.871 4.847 1.00 0.00 O ATOM 0 H GLU A 55 -27.405 24.980 4.458 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.991 26.694 6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.626 24.148 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.980 25.727 7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -29.681 26.581 5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -29.097 25.149 4.467 1.00 0.00 H new ATOM 871 N PHE A 56 -25.661 23.746 7.093 1.00 0.00 N ATOM 872 CA PHE A 56 -24.911 22.938 8.030 1.00 0.00 C ATOM 873 C PHE A 56 -23.598 23.579 8.428 1.00 0.00 C ATOM 874 O PHE A 56 -23.226 23.604 9.598 1.00 0.00 O ATOM 875 CB PHE A 56 -24.606 21.611 7.364 1.00 0.00 C ATOM 876 CG PHE A 56 -23.751 20.647 8.155 1.00 0.00 C ATOM 877 CD1 PHE A 56 -22.348 20.606 8.012 1.00 0.00 C ATOM 878 CD2 PHE A 56 -24.396 19.693 8.944 1.00 0.00 C ATOM 879 CE1 PHE A 56 -21.613 19.575 8.626 1.00 0.00 C ATOM 880 CE2 PHE A 56 -23.670 18.635 9.510 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.283 18.573 9.347 1.00 0.00 C ATOM 0 H PHE A 56 -25.666 23.382 6.140 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.512 22.822 8.932 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.551 21.119 7.132 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -24.109 21.811 6.415 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -21.840 21.363 7.433 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -25.459 19.770 9.119 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -20.536 19.554 8.543 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -24.182 17.868 10.072 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.726 17.753 9.776 1.00 0.00 H new ATOM 891 N TYR A 57 -22.857 24.013 7.412 1.00 0.00 N ATOM 892 CA TYR A 57 -21.553 24.605 7.635 1.00 0.00 C ATOM 893 C TYR A 57 -21.671 26.087 7.990 1.00 0.00 C ATOM 894 O TYR A 57 -20.826 26.614 8.713 1.00 0.00 O ATOM 895 CB TYR A 57 -20.645 24.368 6.416 1.00 0.00 C ATOM 896 CG TYR A 57 -20.979 25.097 5.122 1.00 0.00 C ATOM 897 CD1 TYR A 57 -20.696 26.472 4.991 1.00 0.00 C ATOM 898 CD2 TYR A 57 -21.480 24.384 4.015 1.00 0.00 C ATOM 899 CE1 TYR A 57 -20.946 27.142 3.781 1.00 0.00 C ATOM 900 CE2 TYR A 57 -21.697 25.039 2.788 1.00 0.00 C ATOM 901 CZ TYR A 57 -21.443 26.426 2.669 1.00 0.00 C ATOM 902 OH TYR A 57 -21.663 27.072 1.488 1.00 0.00 O ATOM 0 H TYR A 57 -23.140 23.964 6.433 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.089 24.117 8.492 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.628 24.640 6.699 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.642 23.299 6.205 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.283 27.015 5.828 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.699 23.330 4.108 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.758 28.203 3.701 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -22.058 24.482 1.936 1.00 0.00 H new ATOM 0 HH TYR A 57 -22.004 26.435 0.825 1.00 0.00 H new ATOM 912 N SER A 58 -22.721 26.747 7.483 1.00 0.00 N ATOM 913 CA SER A 58 -22.974 28.163 7.682 1.00 0.00 C ATOM 914 C SER A 58 -23.714 28.432 8.996 1.00 0.00 C ATOM 915 O SER A 58 -23.701 29.578 9.444 1.00 0.00 O ATOM 916 CB SER A 58 -23.779 28.700 6.490 1.00 0.00 C ATOM 917 OG SER A 58 -24.006 30.086 6.627 1.00 0.00 O ATOM 0 H SER A 58 -23.431 26.291 6.910 1.00 0.00 H new ATOM 0 HA SER A 58 -22.016 28.680 7.746 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.240 28.504 5.563 1.00 0.00 H new ATOM 0 HB3 SER A 58 -24.732 28.175 6.422 1.00 0.00 H new ATOM 0 HG SER A 58 -24.119 30.307 7.575 1.00 0.00 H new ATOM 923 N GLU A 59 -24.365 27.426 9.601 1.00 0.00 N ATOM 924 CA GLU A 59 -25.157 27.601 10.809 1.00 0.00 C ATOM 925 C GLU A 59 -24.809 26.466 11.774 1.00 0.00 C ATOM 926 O GLU A 59 -24.558 25.339 11.356 1.00 0.00 O ATOM 927 CB GLU A 59 -26.673 27.646 10.518 1.00 0.00 C ATOM 928 CG GLU A 59 -27.140 28.195 9.149 1.00 0.00 C ATOM 929 CD GLU A 59 -28.291 29.191 9.297 1.00 0.00 C ATOM 930 OE1 GLU A 59 -29.409 28.729 9.619 1.00 0.00 O ATOM 931 OE2 GLU A 59 -28.034 30.399 9.100 1.00 0.00 O ATOM 0 H GLU A 59 -24.351 26.466 9.257 1.00 0.00 H new ATOM 0 HA GLU A 59 -24.914 28.564 11.258 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -27.062 26.633 10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -27.143 28.248 11.296 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.302 28.680 8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.456 27.367 8.514 1.00 0.00 H new ATOM 938 N VAL A 60 -24.778 26.766 13.074 1.00 0.00 N ATOM 939 CA VAL A 60 -24.338 25.838 14.108 1.00 0.00 C ATOM 940 C VAL A 60 -25.240 24.603 14.199 1.00 0.00 C ATOM 941 O VAL A 60 -26.451 24.683 13.999 1.00 0.00 O ATOM 942 CB VAL A 60 -24.224 26.625 15.436 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.540 27.295 15.878 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.720 25.766 16.582 1.00 0.00 C ATOM 0 H VAL A 60 -25.063 27.675 13.439 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.358 25.431 13.859 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.497 27.406 15.212 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -25.380 27.827 16.816 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -25.865 27.999 15.112 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -26.307 26.533 16.019 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.659 26.368 17.489 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -24.407 24.935 16.743 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.731 25.377 16.338 1.00 0.00 H new ATOM 954 N LEU A 61 -24.627 23.465 14.552 1.00 0.00 N ATOM 955 CA LEU A 61 -25.275 22.179 14.753 1.00 0.00 C ATOM 956 C LEU A 61 -25.139 21.786 16.233 1.00 0.00 C ATOM 957 O LEU A 61 -24.241 22.292 16.905 1.00 0.00 O ATOM 958 CB LEU A 61 -24.560 21.130 13.898 1.00 0.00 C ATOM 959 CG LEU A 61 -24.167 21.504 12.446 1.00 0.00 C ATOM 960 CD1 LEU A 61 -23.219 20.431 11.923 1.00 0.00 C ATOM 961 CD2 LEU A 61 -25.299 21.672 11.421 1.00 0.00 C ATOM 0 H LEU A 61 -23.620 23.423 14.710 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.327 22.238 14.474 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.651 20.838 14.423 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -25.199 20.248 13.852 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.729 22.498 12.533 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.927 20.671 10.901 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.331 20.391 12.554 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.720 19.463 11.939 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -24.876 21.933 10.451 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.854 20.738 11.335 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -25.972 22.465 11.748 1.00 0.00 H new ATOM 973 N THR A 62 -25.965 20.850 16.733 1.00 0.00 N ATOM 974 CA THR A 62 -25.951 20.458 18.141 1.00 0.00 C ATOM 975 C THR A 62 -25.564 18.980 18.261 1.00 0.00 C ATOM 976 O THR A 62 -26.398 18.102 18.080 1.00 0.00 O ATOM 977 CB THR A 62 -27.303 20.754 18.804 1.00 0.00 C ATOM 978 OG1 THR A 62 -27.795 22.037 18.460 1.00 0.00 O ATOM 979 CG2 THR A 62 -27.190 20.659 20.321 1.00 0.00 C ATOM 0 H THR A 62 -26.654 20.351 16.171 1.00 0.00 H new ATOM 0 HA THR A 62 -25.204 21.048 18.672 1.00 0.00 H new ATOM 0 HB THR A 62 -28.003 20.005 18.435 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.658 22.186 18.901 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.159 20.872 20.772 1.00 0.00 H new ATOM 0 HG22 THR A 62 -26.873 19.654 20.600 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.457 21.383 20.677 1.00 0.00 H new ATOM 987 N ILE A 63 -24.296 18.676 18.528 1.00 0.00 N ATOM 988 CA ILE A 63 -23.824 17.311 18.663 1.00 0.00 C ATOM 989 C ILE A 63 -24.260 16.770 20.018 1.00 0.00 C ATOM 990 O ILE A 63 -23.759 17.212 21.047 1.00 0.00 O ATOM 991 CB ILE A 63 -22.292 17.216 18.531 1.00 0.00 C ATOM 992 CG1 ILE A 63 -21.654 18.132 17.480 1.00 0.00 C ATOM 993 CG2 ILE A 63 -21.893 15.761 18.291 1.00 0.00 C ATOM 994 CD1 ILE A 63 -22.301 18.168 16.107 1.00 0.00 C ATOM 0 H ILE A 63 -23.567 19.378 18.657 1.00 0.00 H new ATOM 0 HA ILE A 63 -24.257 16.718 17.858 1.00 0.00 H new ATOM 0 HB ILE A 63 -21.895 17.583 19.478 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -21.646 19.147 17.877 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.614 17.830 17.356 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.809 15.692 18.197 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -22.225 15.150 19.130 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.360 15.402 17.374 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -21.751 18.854 15.463 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.285 17.169 15.671 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -23.333 18.506 16.200 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.186 15.813 20.021 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.724 15.239 21.244 1.00 0.00 C ATOM 1008 C VAL A 64 -24.905 13.995 21.564 1.00 0.00 C ATOM 1009 O VAL A 64 -25.285 12.891 21.184 1.00 0.00 O ATOM 1010 CB VAL A 64 -27.237 15.016 21.116 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -27.876 14.546 22.413 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -27.914 16.337 20.771 1.00 0.00 C ATOM 0 H VAL A 64 -25.583 15.415 19.170 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.631 15.914 22.095 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.368 14.255 20.347 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -28.946 14.405 22.261 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.426 13.602 22.719 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -27.715 15.294 23.190 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -28.989 16.182 20.679 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.718 17.063 21.560 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.520 16.712 19.827 1.00 0.00 H new ATOM 1022 N VAL A 65 -23.751 14.200 22.209 1.00 0.00 N ATOM 1023 CA VAL A 65 -22.798 13.178 22.604 1.00 0.00 C ATOM 1024 C VAL A 65 -23.407 12.461 23.795 1.00 0.00 C ATOM 1025 O VAL A 65 -23.390 12.991 24.900 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.397 13.778 22.849 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -20.942 14.579 21.631 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -21.243 14.692 24.063 1.00 0.00 C ATOM 0 H VAL A 65 -23.449 15.136 22.480 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.622 12.448 21.814 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.786 12.896 23.043 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -19.953 14.996 21.819 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -20.901 13.925 20.760 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.647 15.389 21.444 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -20.214 15.047 24.123 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -21.916 15.544 23.965 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.489 14.138 24.969 1.00 0.00 H new ATOM 1038 N ASP A 66 -24.016 11.290 23.576 1.00 0.00 N ATOM 1039 CA ASP A 66 -24.571 10.485 24.663 1.00 0.00 C ATOM 1040 C ASP A 66 -25.607 11.281 25.492 1.00 0.00 C ATOM 1041 O ASP A 66 -25.733 11.084 26.700 1.00 0.00 O ATOM 1042 CB ASP A 66 -23.378 9.917 25.467 1.00 0.00 C ATOM 1043 CG ASP A 66 -23.769 8.931 26.566 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -24.459 7.941 26.239 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -23.347 9.185 27.719 1.00 0.00 O ATOM 0 H ASP A 66 -24.136 10.880 22.650 1.00 0.00 H new ATOM 0 HA ASP A 66 -25.152 9.643 24.286 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -22.694 9.421 24.778 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -22.832 10.746 25.917 1.00 0.00 H new ATOM 1050 N GLY A 67 -26.318 12.230 24.852 1.00 0.00 N ATOM 1051 CA GLY A 67 -27.330 13.063 25.499 1.00 0.00 C ATOM 1052 C GLY A 67 -26.843 14.463 25.893 1.00 0.00 C ATOM 1053 O GLY A 67 -27.654 15.259 26.362 1.00 0.00 O ATOM 0 H GLY A 67 -26.198 12.436 23.860 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -28.183 13.164 24.828 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -27.687 12.551 26.393 1.00 0.00 H new ATOM 1057 N LYS A 68 -25.552 14.781 25.712 1.00 0.00 N ATOM 1058 CA LYS A 68 -24.965 16.073 26.059 1.00 0.00 C ATOM 1059 C LYS A 68 -24.850 16.902 24.793 1.00 0.00 C ATOM 1060 O LYS A 68 -24.248 16.449 23.832 1.00 0.00 O ATOM 1061 CB LYS A 68 -23.592 15.850 26.704 1.00 0.00 C ATOM 1062 CG LYS A 68 -23.766 15.342 28.141 1.00 0.00 C ATOM 1063 CD LYS A 68 -22.815 14.221 28.589 1.00 0.00 C ATOM 1064 CE LYS A 68 -23.282 12.862 28.049 1.00 0.00 C ATOM 1065 NZ LYS A 68 -22.622 11.723 28.715 1.00 0.00 N ATOM 0 H LYS A 68 -24.877 14.129 25.311 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.591 16.605 26.775 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.020 15.129 26.121 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -23.025 16.781 26.704 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -23.642 16.186 28.819 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -24.790 14.988 28.256 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -21.806 14.431 28.235 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -22.770 14.189 29.678 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -24.361 12.777 28.178 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -23.084 12.815 26.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -23.012 10.832 28.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.599 11.757 28.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -22.789 11.776 29.740 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.454 18.087 24.777 1.00 0.00 N ATOM 1080 CA GLU A 69 -25.750 18.836 23.564 1.00 0.00 C ATOM 1081 C GLU A 69 -24.684 19.912 23.323 1.00 0.00 C ATOM 1082 O GLU A 69 -24.623 20.883 24.079 1.00 0.00 O ATOM 1083 CB GLU A 69 -27.164 19.419 23.711 1.00 0.00 C ATOM 1084 CG GLU A 69 -28.196 18.344 24.085 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.610 18.765 23.683 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -29.965 18.515 22.508 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -30.306 19.346 24.543 1.00 0.00 O ATOM 0 H GLU A 69 -25.757 18.562 25.627 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.725 18.191 22.686 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.158 20.196 24.475 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.459 19.894 22.775 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -27.940 17.405 23.593 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -28.161 18.161 25.159 1.00 0.00 H new ATOM 1094 N ILE A 70 -23.823 19.731 22.304 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.648 20.589 22.086 1.00 0.00 C ATOM 1096 C ILE A 70 -22.875 21.393 20.810 1.00 0.00 C ATOM 1097 O ILE A 70 -23.167 20.822 19.767 1.00 0.00 O ATOM 1098 CB ILE A 70 -21.332 19.768 21.999 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -20.811 19.222 23.344 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -20.178 20.637 21.483 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -21.720 18.178 23.964 1.00 0.00 C ATOM 0 H ILE A 70 -23.923 18.988 21.612 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.533 21.258 22.939 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.603 18.943 21.340 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -19.822 18.788 23.193 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -20.692 20.050 24.042 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -19.268 20.040 21.431 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.422 21.014 20.490 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -20.023 21.476 22.161 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -21.293 17.838 24.907 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -22.702 18.613 24.147 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -21.819 17.332 23.284 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.654 22.707 20.859 1.00 0.00 N ATOM 1114 CA LYS A 71 -22.739 23.574 19.703 1.00 0.00 C ATOM 1115 C LYS A 71 -21.421 23.592 18.956 1.00 0.00 C ATOM 1116 O LYS A 71 -20.382 23.857 19.558 1.00 0.00 O ATOM 1117 CB LYS A 71 -23.166 24.985 20.143 1.00 0.00 C ATOM 1118 CG LYS A 71 -24.668 25.167 20.398 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.557 24.373 19.429 1.00 0.00 C ATOM 1120 CE LYS A 71 -26.815 25.095 18.984 1.00 0.00 C ATOM 1121 NZ LYS A 71 -27.844 25.111 20.041 1.00 0.00 N ATOM 0 H LYS A 71 -22.408 23.197 21.719 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.494 23.191 19.017 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -22.626 25.242 21.054 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -22.856 25.696 19.377 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -24.894 24.861 21.419 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -24.916 26.226 20.320 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -24.970 24.117 18.547 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -25.842 23.435 19.905 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.566 26.119 18.704 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -27.216 24.610 18.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.687 25.613 19.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -28.101 24.135 20.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.471 25.596 20.882 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.489 23.336 17.639 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.349 23.413 16.731 1.00 0.00 C ATOM 1137 C VAL A 72 -20.724 23.754 15.281 1.00 0.00 C ATOM 1138 O VAL A 72 -21.869 23.569 14.887 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.577 22.099 16.740 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -19.024 21.674 18.076 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.451 20.953 16.222 1.00 0.00 C ATOM 0 H VAL A 72 -22.356 23.066 17.175 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.735 24.233 17.105 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.726 22.300 16.090 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.494 20.728 17.966 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.335 22.435 18.443 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -19.842 21.552 18.786 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.880 20.025 16.237 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.330 20.849 16.859 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.766 21.169 15.201 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.751 24.182 14.459 1.00 0.00 N ATOM 1152 CA LYS A 73 -19.954 24.560 13.051 1.00 0.00 C ATOM 1153 C LYS A 73 -18.861 23.960 12.190 1.00 0.00 C ATOM 1154 O LYS A 73 -17.694 24.040 12.557 1.00 0.00 O ATOM 1155 CB LYS A 73 -19.859 26.076 12.879 1.00 0.00 C ATOM 1156 CG LYS A 73 -20.945 26.816 13.655 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.401 28.063 14.332 1.00 0.00 C ATOM 1158 CE LYS A 73 -20.047 29.143 13.303 1.00 0.00 C ATOM 1159 NZ LYS A 73 -19.497 30.353 13.943 1.00 0.00 N ATOM 0 H LYS A 73 -18.782 24.277 14.762 1.00 0.00 H new ATOM 0 HA LYS A 73 -20.939 24.198 12.756 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.880 26.417 13.215 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.938 26.325 11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -21.752 27.093 12.977 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -21.373 26.152 14.406 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.141 28.452 15.032 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.516 27.807 14.914 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -19.321 28.745 12.594 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.938 29.407 12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.270 31.059 13.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -20.199 30.748 14.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.633 30.107 14.467 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.226 23.402 11.036 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.280 22.658 10.222 1.00 0.00 C ATOM 1175 C ALA A 74 -17.140 23.534 9.694 1.00 0.00 C ATOM 1176 O ALA A 74 -17.345 24.711 9.391 1.00 0.00 O ATOM 1177 CB ALA A 74 -19.023 21.974 9.079 1.00 0.00 C ATOM 0 H ALA A 74 -20.168 23.454 10.649 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.813 21.904 10.855 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.315 21.415 8.467 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.768 21.291 9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.518 22.726 8.465 1.00 0.00 H new ATOM 1183 N GLN A 75 -15.955 22.925 9.545 1.00 0.00 N ATOM 1184 CA GLN A 75 -14.773 23.539 8.943 1.00 0.00 C ATOM 1185 C GLN A 75 -14.125 22.640 7.885 1.00 0.00 C ATOM 1186 O GLN A 75 -13.666 23.149 6.865 1.00 0.00 O ATOM 1187 CB GLN A 75 -13.726 23.908 10.007 1.00 0.00 C ATOM 1188 CG GLN A 75 -14.070 25.176 10.794 1.00 0.00 C ATOM 1189 CD GLN A 75 -14.117 26.439 9.937 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -13.095 27.080 9.719 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -15.300 26.820 9.458 1.00 0.00 N ATOM 0 H GLN A 75 -15.793 21.965 9.850 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.123 24.448 8.453 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.620 23.076 10.703 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.759 24.043 9.522 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.037 25.041 11.279 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.333 25.312 11.586 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.133 26.266 9.656 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.373 27.666 8.893 1.00 0.00 H new ATOM 1200 N ASP A 76 -14.081 21.322 8.121 1.00 0.00 N ATOM 1201 CA ASP A 76 -13.411 20.347 7.270 1.00 0.00 C ATOM 1202 C ASP A 76 -14.277 19.093 7.238 1.00 0.00 C ATOM 1203 O ASP A 76 -14.045 18.135 7.973 1.00 0.00 O ATOM 1204 CB ASP A 76 -11.959 20.082 7.735 1.00 0.00 C ATOM 1205 CG ASP A 76 -11.300 18.884 7.031 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -11.481 18.774 5.798 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -10.617 18.090 7.721 1.00 0.00 O ATOM 0 H ASP A 76 -14.526 20.899 8.935 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.306 20.729 6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.359 20.974 7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.956 19.908 8.811 1.00 0.00 H new ATOM 1212 N VAL A 77 -15.316 19.129 6.395 1.00 0.00 N ATOM 1213 CA VAL A 77 -15.930 17.898 5.922 1.00 0.00 C ATOM 1214 C VAL A 77 -14.973 17.360 4.846 1.00 0.00 C ATOM 1215 O VAL A 77 -14.427 18.114 4.038 1.00 0.00 O ATOM 1216 CB VAL A 77 -17.376 18.099 5.403 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -18.356 18.695 6.428 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.440 18.999 4.181 1.00 0.00 C ATOM 0 H VAL A 77 -15.738 19.985 6.035 1.00 0.00 H new ATOM 0 HA VAL A 77 -16.057 17.182 6.734 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.681 17.079 5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.341 18.798 5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.423 18.035 7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -17.999 19.675 6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.477 19.105 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.035 19.980 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -16.854 18.559 3.374 1.00 0.00 H new ATOM 1228 N GLN A 78 -14.796 16.045 4.829 1.00 0.00 N ATOM 1229 CA GLN A 78 -13.932 15.309 3.920 1.00 0.00 C ATOM 1230 C GLN A 78 -14.836 14.319 3.198 1.00 0.00 C ATOM 1231 O GLN A 78 -15.431 13.453 3.839 1.00 0.00 O ATOM 1232 CB GLN A 78 -12.802 14.579 4.672 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.822 15.490 5.435 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.666 14.703 6.075 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -10.348 13.593 5.657 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -10.011 15.262 7.092 1.00 0.00 N ATOM 0 H GLN A 78 -15.279 15.432 5.486 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.436 15.983 3.222 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.251 13.882 5.380 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.236 13.984 3.955 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.416 16.235 4.751 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.363 16.031 6.211 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.285 16.185 7.430 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.235 14.767 7.533 1.00 0.00 H new ATOM 1245 N ARG A 79 -14.993 14.479 1.881 1.00 0.00 N ATOM 1246 CA ARG A 79 -15.828 13.600 1.066 1.00 0.00 C ATOM 1247 C ARG A 79 -15.118 12.265 0.818 1.00 0.00 C ATOM 1248 O ARG A 79 -13.899 12.162 0.954 1.00 0.00 O ATOM 1249 CB ARG A 79 -16.159 14.295 -0.267 1.00 0.00 C ATOM 1250 CG ARG A 79 -17.048 15.541 -0.111 1.00 0.00 C ATOM 1251 CD ARG A 79 -18.495 15.170 0.250 1.00 0.00 C ATOM 1252 NE ARG A 79 -19.359 16.352 0.410 1.00 0.00 N ATOM 1253 CZ ARG A 79 -19.888 17.107 -0.569 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -19.565 16.920 -1.854 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -20.765 18.061 -0.246 1.00 0.00 N ATOM 0 H ARG A 79 -14.542 15.225 1.351 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.757 13.394 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.229 14.582 -0.757 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.659 13.583 -0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.635 16.187 0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.040 16.111 -1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.906 14.526 -0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.499 14.594 1.175 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.580 16.628 1.367 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.902 16.189 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -19.982 17.508 -2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -21.023 18.207 0.730 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.177 18.643 -0.975 1.00 0.00 H new ATOM 1269 N HIS A 80 -15.887 11.247 0.415 1.00 0.00 N ATOM 1270 CA HIS A 80 -15.357 9.987 -0.079 1.00 0.00 C ATOM 1271 C HIS A 80 -14.624 10.190 -1.414 1.00 0.00 C ATOM 1272 O HIS A 80 -14.881 11.169 -2.118 1.00 0.00 O ATOM 1273 CB HIS A 80 -16.501 8.984 -0.239 1.00 0.00 C ATOM 1274 CG HIS A 80 -16.460 7.846 0.743 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -16.568 7.915 2.115 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -16.425 6.527 0.394 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -16.604 6.652 2.575 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -16.516 5.771 1.564 1.00 0.00 N ATOM 0 H HIS A 80 -16.906 11.283 0.426 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.636 9.597 0.640 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -17.449 9.510 -0.130 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.476 8.578 -1.250 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.342 6.137 -0.610 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.692 6.382 3.617 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.516 4.754 1.637 1.00 0.00 H new ATOM 1286 N PRO A 81 -13.739 9.249 -1.792 1.00 0.00 N ATOM 1287 CA PRO A 81 -12.876 9.389 -2.953 1.00 0.00 C ATOM 1288 C PRO A 81 -13.568 9.056 -4.282 1.00 0.00 C ATOM 1289 O PRO A 81 -12.960 9.301 -5.324 1.00 0.00 O ATOM 1290 CB PRO A 81 -11.705 8.439 -2.681 1.00 0.00 C ATOM 1291 CG PRO A 81 -12.361 7.303 -1.898 1.00 0.00 C ATOM 1292 CD PRO A 81 -13.415 8.030 -1.065 1.00 0.00 C ATOM 0 HA PRO A 81 -12.564 10.426 -3.076 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.251 8.083 -3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.917 8.924 -2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -12.809 6.562 -2.560 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.642 6.777 -1.270 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.301 7.410 -0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.034 8.260 -0.070 1.00 0.00 H new ATOM 1300 N TYR A 82 -14.799 8.506 -4.279 1.00 0.00 N ATOM 1301 CA TYR A 82 -15.485 8.176 -5.525 1.00 0.00 C ATOM 1302 C TYR A 82 -17.001 8.338 -5.415 1.00 0.00 C ATOM 1303 O TYR A 82 -17.619 9.048 -6.206 1.00 0.00 O ATOM 1304 CB TYR A 82 -15.079 6.764 -5.982 1.00 0.00 C ATOM 1305 CG TYR A 82 -15.244 6.539 -7.473 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -16.460 6.059 -7.996 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -14.169 6.819 -8.340 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -16.600 5.851 -9.380 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -14.299 6.611 -9.724 1.00 0.00 C ATOM 1310 CZ TYR A 82 -15.519 6.125 -10.250 1.00 0.00 C ATOM 1311 OH TYR A 82 -15.658 5.919 -11.591 1.00 0.00 O ATOM 0 H TYR A 82 -15.326 8.287 -3.434 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.171 8.888 -6.289 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -14.039 6.588 -5.709 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.679 6.030 -5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -17.287 5.850 -7.333 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.240 7.196 -7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -17.533 5.482 -9.779 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.470 6.822 -10.384 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.824 6.157 -12.047 1.00 0.00 H new ATOM 1321 N LYS A 83 -17.589 7.660 -4.430 1.00 0.00 N ATOM 1322 CA LYS A 83 -19.016 7.652 -4.127 1.00 0.00 C ATOM 1323 C LYS A 83 -19.386 8.876 -3.267 1.00 0.00 C ATOM 1324 O LYS A 83 -18.512 9.421 -2.591 1.00 0.00 O ATOM 1325 CB LYS A 83 -19.359 6.307 -3.453 1.00 0.00 C ATOM 1326 CG LYS A 83 -18.448 5.954 -2.261 1.00 0.00 C ATOM 1327 CD LYS A 83 -18.609 4.510 -1.778 1.00 0.00 C ATOM 1328 CE LYS A 83 -19.936 4.336 -1.049 1.00 0.00 C ATOM 1329 NZ LYS A 83 -20.086 2.970 -0.511 1.00 0.00 N ATOM 0 H LYS A 83 -17.054 7.072 -3.791 1.00 0.00 H new ATOM 0 HA LYS A 83 -19.612 7.735 -5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -20.393 6.337 -3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.292 5.512 -4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.409 6.120 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -18.664 6.632 -1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.562 3.829 -2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -17.785 4.248 -1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -20.002 5.057 -0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -20.758 4.551 -1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -21.000 2.888 -0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.048 2.283 -1.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.316 2.774 0.160 1.00 0.00 H new ATOM 1343 N PRO A 84 -20.660 9.320 -3.259 1.00 0.00 N ATOM 1344 CA PRO A 84 -21.104 10.503 -2.519 1.00 0.00 C ATOM 1345 C PRO A 84 -21.283 10.188 -1.023 1.00 0.00 C ATOM 1346 O PRO A 84 -22.402 10.052 -0.526 1.00 0.00 O ATOM 1347 CB PRO A 84 -22.400 10.938 -3.217 1.00 0.00 C ATOM 1348 CG PRO A 84 -22.990 9.615 -3.703 1.00 0.00 C ATOM 1349 CD PRO A 84 -21.746 8.815 -4.090 1.00 0.00 C ATOM 0 HA PRO A 84 -20.374 11.312 -2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -23.074 11.453 -2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -22.203 11.620 -4.044 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -23.565 9.117 -2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -23.660 9.757 -4.551 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -21.901 7.749 -3.922 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -21.517 8.941 -5.148 1.00 0.00 H new ATOM 1357 N LYS A 85 -20.160 10.063 -0.305 1.00 0.00 N ATOM 1358 CA LYS A 85 -20.091 9.757 1.123 1.00 0.00 C ATOM 1359 C LYS A 85 -19.035 10.658 1.786 1.00 0.00 C ATOM 1360 O LYS A 85 -18.621 11.656 1.195 1.00 0.00 O ATOM 1361 CB LYS A 85 -19.848 8.243 1.296 1.00 0.00 C ATOM 1362 CG LYS A 85 -21.056 7.363 0.955 1.00 0.00 C ATOM 1363 CD LYS A 85 -22.283 7.582 1.852 1.00 0.00 C ATOM 1364 CE LYS A 85 -23.355 6.557 1.485 1.00 0.00 C ATOM 1365 NZ LYS A 85 -24.617 6.782 2.226 1.00 0.00 N ATOM 0 H LYS A 85 -19.237 10.178 -0.724 1.00 0.00 H new ATOM 0 HA LYS A 85 -21.029 9.976 1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -19.010 7.948 0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -19.554 8.050 2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -21.342 7.548 -0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -20.757 6.317 1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -22.006 7.478 2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -22.669 8.593 1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -23.550 6.605 0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -22.985 5.554 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -25.316 6.065 1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -24.437 6.711 3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -24.985 7.729 2.005 1.00 0.00 H new ATOM 1379 N LEU A 86 -18.649 10.355 3.033 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.783 11.168 3.884 1.00 0.00 C ATOM 1381 C LEU A 86 -16.725 10.255 4.507 1.00 0.00 C ATOM 1382 O LEU A 86 -17.034 9.139 4.919 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.613 11.859 4.989 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.663 12.865 4.462 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.875 12.976 5.393 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -19.118 14.276 4.255 1.00 0.00 C ATOM 0 H LEU A 86 -18.949 9.495 3.493 1.00 0.00 H new ATOM 0 HA LEU A 86 -17.301 11.944 3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -19.122 11.095 5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.935 12.380 5.664 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.954 12.453 3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.585 13.694 4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -21.355 12.002 5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.548 13.312 6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.913 14.923 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.746 14.665 5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.305 14.249 3.530 1.00 0.00 H new ATOM 1398 N GLN A 87 -15.476 10.724 4.553 1.00 0.00 N ATOM 1399 CA GLN A 87 -14.377 10.089 5.272 1.00 0.00 C ATOM 1400 C GLN A 87 -14.352 10.552 6.731 1.00 0.00 C ATOM 1401 O GLN A 87 -14.028 9.753 7.609 1.00 0.00 O ATOM 1402 CB GLN A 87 -13.045 10.472 4.603 1.00 0.00 C ATOM 1403 CG GLN A 87 -12.843 9.805 3.235 1.00 0.00 C ATOM 1404 CD GLN A 87 -12.567 8.305 3.352 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -11.590 7.892 3.966 1.00 0.00 O ATOM 1406 NE2 GLN A 87 -13.413 7.465 2.759 1.00 0.00 N ATOM 0 H GLN A 87 -15.197 11.581 4.076 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.518 9.008 5.244 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.004 11.555 4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.222 10.194 5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.731 9.961 2.623 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.012 10.285 2.719 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.221 7.828 2.253 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.253 6.459 2.811 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.676 11.831 6.979 1.00 0.00 N ATOM 1416 CA HIS A 88 -14.482 12.510 8.259 1.00 0.00 C ATOM 1417 C HIS A 88 -15.051 13.913 8.183 1.00 0.00 C ATOM 1418 O HIS A 88 -15.161 14.478 7.098 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.995 12.589 8.604 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.686 13.320 9.884 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -12.066 14.544 10.001 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -12.896 12.837 11.146 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.890 14.765 11.315 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.388 13.763 12.055 1.00 0.00 N ATOM 0 H HIS A 88 -15.092 12.434 6.270 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.997 11.942 9.034 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.598 11.576 8.674 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -12.471 13.081 7.785 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.373 11.900 11.395 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.408 15.640 11.724 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -12.394 13.693 13.073 1.00 0.00 H new ATOM 1432 N ILE A 89 -15.429 14.461 9.342 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.960 15.805 9.466 1.00 0.00 C ATOM 1434 C ILE A 89 -15.371 16.445 10.723 1.00 0.00 C ATOM 1435 O ILE A 89 -14.927 15.772 11.648 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.507 15.785 9.432 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -18.012 15.237 8.076 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -18.081 17.199 9.650 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.484 14.873 8.068 1.00 0.00 C ATOM 0 H ILE A 89 -15.370 13.966 10.232 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.665 16.423 8.618 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.847 15.134 10.238 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.829 15.983 7.303 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.429 14.355 7.812 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -19.170 17.158 9.622 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.757 17.578 10.619 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.722 17.863 8.863 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.761 14.497 7.083 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.672 14.103 8.816 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -20.079 15.757 8.299 1.00 0.00 H new ATOM 1451 N ASP A 90 -15.368 17.771 10.738 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.680 18.595 11.700 1.00 0.00 C ATOM 1453 C ASP A 90 -15.583 19.780 12.018 1.00 0.00 C ATOM 1454 O ASP A 90 -16.038 20.436 11.077 1.00 0.00 O ATOM 1455 CB ASP A 90 -13.410 19.055 10.997 1.00 0.00 C ATOM 1456 CG ASP A 90 -12.409 19.632 11.964 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -12.773 20.581 12.689 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -11.299 19.061 11.958 1.00 0.00 O ATOM 0 H ASP A 90 -15.873 18.320 10.042 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.441 18.081 12.631 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.962 18.213 10.470 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -13.662 19.804 10.246 1.00 0.00 H new ATOM 1463 N PHE A 91 -15.852 20.061 13.301 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.673 21.183 13.711 1.00 0.00 C ATOM 1465 C PHE A 91 -15.871 22.025 14.702 1.00 0.00 C ATOM 1466 O PHE A 91 -15.143 21.463 15.517 1.00 0.00 O ATOM 1467 CB PHE A 91 -17.976 20.641 14.325 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.613 19.367 13.782 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -19.623 19.439 12.804 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -18.333 18.125 14.382 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -20.358 18.287 12.464 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -19.045 16.973 14.013 1.00 0.00 C ATOM 1473 CZ PHE A 91 -20.070 17.052 13.071 1.00 0.00 C ATOM 0 H PHE A 91 -15.498 19.506 14.080 1.00 0.00 H new ATOM 0 HA PHE A 91 -16.943 21.818 12.867 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.789 20.481 15.387 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.722 21.432 14.248 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -19.834 20.378 12.314 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -17.562 18.058 15.135 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -21.149 18.353 11.731 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -18.798 16.022 14.460 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.638 16.171 12.810 1.00 0.00 H new ATOM 1483 N VAL A 92 -16.008 23.359 14.668 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.369 24.201 15.678 1.00 0.00 C ATOM 1485 C VAL A 92 -16.349 24.467 16.811 1.00 0.00 C ATOM 1486 O VAL A 92 -17.541 24.576 16.548 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.826 25.514 15.102 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -13.640 25.250 14.190 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.828 26.394 14.359 1.00 0.00 C ATOM 0 H VAL A 92 -16.546 23.866 13.965 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.504 23.659 16.061 1.00 0.00 H new ATOM 0 HB VAL A 92 -14.539 26.080 15.989 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.270 26.195 13.792 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.848 24.759 14.756 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -13.950 24.606 13.367 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -15.326 27.292 13.999 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.238 25.843 13.512 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -16.636 26.676 15.034 1.00 0.00 H new ATOM 1499 N ARG A 93 -15.834 24.612 18.040 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.563 24.896 19.275 1.00 0.00 C ATOM 1501 C ARG A 93 -17.351 26.208 19.140 1.00 0.00 C ATOM 1502 O ARG A 93 -16.827 27.287 19.425 1.00 0.00 O ATOM 1503 CB ARG A 93 -15.568 24.969 20.454 1.00 0.00 C ATOM 1504 CG ARG A 93 -14.873 23.645 20.822 1.00 0.00 C ATOM 1505 CD ARG A 93 -15.601 22.860 21.912 1.00 0.00 C ATOM 1506 NE ARG A 93 -14.750 21.768 22.423 1.00 0.00 N ATOM 1507 CZ ARG A 93 -14.682 21.344 23.696 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -15.471 21.861 24.641 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -13.793 20.409 24.042 1.00 0.00 N ATOM 0 H ARG A 93 -14.831 24.528 18.204 1.00 0.00 H new ATOM 0 HA ARG A 93 -17.277 24.095 19.467 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.802 25.706 20.214 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -16.099 25.336 21.332 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.794 23.025 19.929 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -13.857 23.857 21.154 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -15.873 23.529 22.729 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -16.529 22.449 21.514 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.157 21.290 21.745 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -16.141 22.592 24.402 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -15.404 21.525 25.602 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.166 20.017 23.340 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.741 20.087 25.009 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.597 26.100 18.668 1.00 0.00 N ATOM 1524 CA ALA A 94 -19.530 27.215 18.521 1.00 0.00 C ATOM 1525 C ALA A 94 -20.021 27.726 19.878 1.00 0.00 C ATOM 1526 O ALA A 94 -20.316 26.882 20.752 1.00 0.00 O ATOM 1527 CB ALA A 94 -20.710 26.783 17.659 1.00 0.00 C ATOM 1528 OXT ALA A 94 -20.142 28.964 19.995 1.00 0.00 O ATOM 0 H ALA A 94 -18.993 25.208 18.370 1.00 0.00 H new ATOM 0 HA ALA A 94 -19.004 28.037 18.035 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.405 27.615 17.550 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -20.350 26.480 16.676 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.220 25.945 18.134 1.00 0.00 H new