USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 548 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: B 58 THR OG1 : rot 180:sc= -0.0776 USER MOD Set 1.2: B 60 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: B 56 THR OG1 : rot 180:sc= -0.493 USER MOD Set 2.2: B 57 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 1 LYS N :NH3+ -110:sc= -5.69! (180deg=-1.87!) USER MOD Set 3.2: B 27 HIS : no HE2:sc= -12.6! C(o=-18!,f=-24!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 156:sc= -0.112 (180deg=-0.795) USER MOD Single : A 8 ASN : amide:sc= -1.79 X(o=-1.8,f=-1.7) USER MOD Single : B 21 LYS NZ :NH3+ -114:sc= 0.406 (180deg=-2.58!) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.151 USER MOD Single : B 30 LYS NZ :NH3+ 152:sc= -0.329 (180deg=-1.43!) USER MOD Single : B 34 LYS NZ :NH3+ -156:sc= -0.0589 (180deg=-0.577) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 THR OG1 : rot 133:sc= 0.588! USER MOD Single : B 48 ASN : amide:sc= -0.633 K(o=-0.63,f=-3.2!) USER MOD Single : B 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 52 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 LYS NZ :NH3+ -127:sc= -0.0908 (180deg=-0.807) USER MOD Single : B 61 ASN : amide:sc= -3.54! K(o=-3.5!,f=-0.4) USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -19.834 9.579 -3.228 1.00 1.61 N ATOM 2 CA LYS A 1 -20.553 8.665 -4.158 1.00 0.97 C ATOM 3 C LYS A 1 -20.493 9.222 -5.576 1.00 0.57 C ATOM 4 O LYS A 1 -21.430 9.105 -6.341 1.00 1.10 O ATOM 5 CB LYS A 1 -22.013 8.547 -3.730 1.00 1.90 C ATOM 6 CG LYS A 1 -22.641 9.948 -3.652 1.00 1.99 C ATOM 7 CD LYS A 1 -23.952 9.902 -2.853 1.00 2.41 C ATOM 8 CE LYS A 1 -23.671 9.870 -1.342 1.00 3.14 C ATOM 9 NZ LYS A 1 -24.912 10.243 -0.604 1.00 3.88 N ATOM 0 H1 LYS A 1 -18.956 9.125 -2.904 1.00 1.61 H new ATOM 0 H2 LYS A 1 -19.603 10.465 -3.721 1.00 1.61 H new ATOM 0 H3 LYS A 1 -20.439 9.787 -2.408 1.00 1.61 H new ATOM 0 HA LYS A 1 -20.080 7.683 -4.131 1.00 0.97 H new ATOM 0 HB2 LYS A 1 -22.562 7.930 -4.441 1.00 1.90 H new ATOM 0 HB3 LYS A 1 -22.080 8.053 -2.761 1.00 1.90 H new ATOM 0 HG2 LYS A 1 -21.944 10.640 -3.180 1.00 1.99 H new ATOM 0 HG3 LYS A 1 -22.833 10.324 -4.657 1.00 1.99 H new ATOM 0 HD2 LYS A 1 -24.561 10.773 -3.096 1.00 2.41 H new ATOM 0 HD3 LYS A 1 -24.527 9.021 -3.139 1.00 2.41 H new ATOM 0 HE2 LYS A 1 -23.341 8.875 -1.043 1.00 3.14 H new ATOM 0 HE3 LYS A 1 -22.865 10.561 -1.095 1.00 3.14 H new ATOM 0 HZ1 LYS A 1 -24.727 10.223 0.419 1.00 3.88 H new ATOM 0 HZ2 LYS A 1 -25.208 11.200 -0.883 1.00 3.88 H new ATOM 0 HZ3 LYS A 1 -25.668 9.567 -0.832 1.00 3.88 H new ATOM 25 N VAL A 2 -19.393 9.823 -5.929 1.00 0.65 N ATOM 26 CA VAL A 2 -19.235 10.399 -7.296 1.00 0.45 C ATOM 27 C VAL A 2 -18.232 9.546 -8.069 1.00 0.47 C ATOM 28 O VAL A 2 -18.287 9.441 -9.280 1.00 0.88 O ATOM 29 CB VAL A 2 -18.712 11.836 -7.150 1.00 0.73 C ATOM 30 CG1 VAL A 2 -18.056 12.317 -8.451 1.00 1.03 C ATOM 31 CG2 VAL A 2 -19.874 12.772 -6.805 1.00 1.00 C ATOM 0 H VAL A 2 -18.583 9.942 -5.320 1.00 0.65 H new ATOM 0 HA VAL A 2 -20.183 10.409 -7.833 1.00 0.45 H new ATOM 0 HB VAL A 2 -17.967 11.848 -6.354 1.00 0.73 H new ATOM 0 HG11 VAL A 2 -17.694 13.337 -8.321 1.00 1.03 H new ATOM 0 HG12 VAL A 2 -17.219 11.664 -8.700 1.00 1.03 H new ATOM 0 HG13 VAL A 2 -18.788 12.292 -9.258 1.00 1.03 H new ATOM 0 HG21 VAL A 2 -19.502 13.791 -6.702 1.00 1.00 H new ATOM 0 HG22 VAL A 2 -20.618 12.736 -7.600 1.00 1.00 H new ATOM 0 HG23 VAL A 2 -20.330 12.455 -5.867 1.00 1.00 H new ATOM 41 N GLY A 3 -17.316 8.933 -7.371 1.00 0.41 N ATOM 42 CA GLY A 3 -16.295 8.080 -8.049 1.00 0.54 C ATOM 43 C GLY A 3 -16.673 6.617 -7.874 1.00 0.41 C ATOM 44 O GLY A 3 -16.649 5.846 -8.809 1.00 0.45 O ATOM 0 H GLY A 3 -17.229 8.985 -6.356 1.00 0.41 H new ATOM 0 HA2 GLY A 3 -16.240 8.330 -9.109 1.00 0.54 H new ATOM 0 HA3 GLY A 3 -15.308 8.267 -7.626 1.00 0.54 H new ATOM 48 N PHE A 4 -17.027 6.235 -6.679 1.00 0.38 N ATOM 49 CA PHE A 4 -17.412 4.813 -6.411 1.00 0.44 C ATOM 50 C PHE A 4 -18.206 4.257 -7.599 1.00 0.47 C ATOM 51 O PHE A 4 -17.878 3.224 -8.153 1.00 0.68 O ATOM 52 CB PHE A 4 -18.265 4.753 -5.136 1.00 0.57 C ATOM 53 CG PHE A 4 -17.367 4.781 -3.912 1.00 0.70 C ATOM 54 CD1 PHE A 4 -16.622 5.931 -3.609 1.00 1.35 C ATOM 55 CD2 PHE A 4 -17.281 3.657 -3.079 1.00 1.56 C ATOM 56 CE1 PHE A 4 -15.795 5.954 -2.479 1.00 1.52 C ATOM 57 CE2 PHE A 4 -16.455 3.681 -1.948 1.00 1.74 C ATOM 58 CZ PHE A 4 -15.712 4.829 -1.649 1.00 1.26 C ATOM 0 H PHE A 4 -17.068 6.850 -5.866 1.00 0.38 H new ATOM 0 HA PHE A 4 -16.514 4.210 -6.275 1.00 0.44 H new ATOM 0 HB2 PHE A 4 -18.956 5.596 -5.110 1.00 0.57 H new ATOM 0 HB3 PHE A 4 -18.869 3.845 -5.134 1.00 0.57 H new ATOM 0 HD1 PHE A 4 -16.686 6.799 -4.248 1.00 1.35 H new ATOM 0 HD2 PHE A 4 -17.853 2.770 -3.310 1.00 1.56 H new ATOM 0 HE1 PHE A 4 -15.221 6.839 -2.248 1.00 1.52 H new ATOM 0 HE2 PHE A 4 -16.391 2.814 -1.307 1.00 1.74 H new ATOM 0 HZ PHE A 4 -15.074 4.847 -0.778 1.00 1.26 H new ATOM 68 N PHE A 5 -19.230 4.948 -8.015 1.00 0.45 N ATOM 69 CA PHE A 5 -20.021 4.469 -9.182 1.00 0.59 C ATOM 70 C PHE A 5 -19.290 4.893 -10.469 1.00 0.56 C ATOM 71 O PHE A 5 -19.247 4.163 -11.443 1.00 0.72 O ATOM 72 CB PHE A 5 -21.454 5.064 -9.102 1.00 0.72 C ATOM 73 CG PHE A 5 -21.651 6.197 -10.092 1.00 0.73 C ATOM 74 CD1 PHE A 5 -21.797 5.909 -11.453 1.00 1.39 C ATOM 75 CD2 PHE A 5 -21.686 7.525 -9.648 1.00 1.48 C ATOM 76 CE1 PHE A 5 -21.980 6.948 -12.373 1.00 1.44 C ATOM 77 CE2 PHE A 5 -21.870 8.565 -10.569 1.00 1.65 C ATOM 78 CZ PHE A 5 -22.017 8.276 -11.931 1.00 1.10 C ATOM 0 H PHE A 5 -19.553 5.821 -7.599 1.00 0.45 H new ATOM 0 HA PHE A 5 -20.114 3.383 -9.181 1.00 0.59 H new ATOM 0 HB2 PHE A 5 -22.185 4.279 -9.298 1.00 0.72 H new ATOM 0 HB3 PHE A 5 -21.640 5.428 -8.092 1.00 0.72 H new ATOM 0 HD1 PHE A 5 -21.769 4.885 -11.794 1.00 1.39 H new ATOM 0 HD2 PHE A 5 -21.571 7.747 -8.597 1.00 1.48 H new ATOM 0 HE1 PHE A 5 -22.093 6.725 -13.424 1.00 1.44 H new ATOM 0 HE2 PHE A 5 -21.898 9.589 -10.228 1.00 1.65 H new ATOM 0 HZ PHE A 5 -22.159 9.078 -12.641 1.00 1.10 H new ATOM 88 N LYS A 6 -18.717 6.074 -10.474 1.00 0.47 N ATOM 89 CA LYS A 6 -17.988 6.565 -11.688 1.00 0.55 C ATOM 90 C LYS A 6 -16.474 6.343 -11.510 1.00 0.47 C ATOM 91 O LYS A 6 -15.674 7.213 -11.795 1.00 0.56 O ATOM 92 CB LYS A 6 -18.292 8.072 -11.865 1.00 0.71 C ATOM 93 CG LYS A 6 -18.374 8.451 -13.355 1.00 1.24 C ATOM 94 CD LYS A 6 -16.981 8.390 -13.987 1.00 1.40 C ATOM 95 CE LYS A 6 -17.066 8.815 -15.455 1.00 1.81 C ATOM 96 NZ LYS A 6 -17.642 10.186 -15.547 1.00 2.26 N ATOM 0 H LYS A 6 -18.723 6.722 -9.686 1.00 0.47 H new ATOM 0 HA LYS A 6 -18.315 6.018 -12.572 1.00 0.55 H new ATOM 0 HB2 LYS A 6 -19.233 8.316 -11.372 1.00 0.71 H new ATOM 0 HB3 LYS A 6 -17.515 8.662 -11.379 1.00 0.71 H new ATOM 0 HG2 LYS A 6 -19.049 7.771 -13.875 1.00 1.24 H new ATOM 0 HG3 LYS A 6 -18.787 9.454 -13.462 1.00 1.24 H new ATOM 0 HD2 LYS A 6 -16.296 9.044 -13.447 1.00 1.40 H new ATOM 0 HD3 LYS A 6 -16.581 7.379 -13.913 1.00 1.40 H new ATOM 0 HE2 LYS A 6 -16.075 8.795 -15.908 1.00 1.81 H new ATOM 0 HE3 LYS A 6 -17.685 8.112 -16.012 1.00 1.81 H new ATOM 0 HZ1 LYS A 6 -17.339 10.631 -16.437 1.00 2.26 H new ATOM 0 HZ2 LYS A 6 -18.680 10.129 -15.524 1.00 2.26 H new ATOM 0 HZ3 LYS A 6 -17.309 10.757 -14.744 1.00 2.26 H new ATOM 110 N ARG A 7 -16.073 5.187 -11.042 1.00 0.52 N ATOM 111 CA ARG A 7 -14.610 4.921 -10.855 1.00 0.56 C ATOM 112 C ARG A 7 -14.333 3.427 -10.973 1.00 0.59 C ATOM 113 O ARG A 7 -13.264 3.023 -11.387 1.00 0.71 O ATOM 114 CB ARG A 7 -14.158 5.413 -9.472 1.00 0.76 C ATOM 115 CG ARG A 7 -12.619 5.392 -9.373 1.00 1.21 C ATOM 116 CD ARG A 7 -12.054 6.734 -9.845 1.00 1.68 C ATOM 117 NE ARG A 7 -10.578 6.624 -10.019 1.00 2.21 N ATOM 118 CZ ARG A 7 -9.930 7.537 -10.689 1.00 2.78 C ATOM 119 NH1 ARG A 7 -10.574 8.548 -11.205 1.00 3.15 N ATOM 120 NH2 ARG A 7 -8.637 7.442 -10.840 1.00 3.45 N ATOM 0 H ARG A 7 -16.691 4.418 -10.782 1.00 0.52 H new ATOM 0 HA ARG A 7 -14.057 5.455 -11.628 1.00 0.56 H new ATOM 0 HB2 ARG A 7 -14.526 6.424 -9.300 1.00 0.76 H new ATOM 0 HB3 ARG A 7 -14.588 4.781 -8.695 1.00 0.76 H new ATOM 0 HG2 ARG A 7 -12.314 5.199 -8.345 1.00 1.21 H new ATOM 0 HG3 ARG A 7 -12.217 4.582 -9.982 1.00 1.21 H new ATOM 0 HD2 ARG A 7 -12.520 7.025 -10.786 1.00 1.68 H new ATOM 0 HD3 ARG A 7 -12.287 7.513 -9.119 1.00 1.68 H new ATOM 0 HE ARG A 7 -10.074 5.835 -9.614 1.00 2.21 H new ATOM 0 HH11 ARG A 7 -11.584 8.624 -11.085 1.00 3.15 H new ATOM 0 HH12 ARG A 7 -10.067 9.262 -11.729 1.00 3.15 H new ATOM 0 HH21 ARG A 7 -8.133 6.654 -10.434 1.00 3.45 H new ATOM 0 HH22 ARG A 7 -8.131 8.156 -11.364 1.00 3.45 H new ATOM 134 N ASN A 8 -15.280 2.602 -10.607 1.00 0.59 N ATOM 135 CA ASN A 8 -15.068 1.120 -10.687 1.00 0.68 C ATOM 136 C ASN A 8 -16.069 0.501 -11.670 1.00 0.60 C ATOM 137 O ASN A 8 -15.856 -0.575 -12.185 1.00 0.62 O ATOM 138 CB ASN A 8 -15.253 0.518 -9.289 1.00 0.91 C ATOM 139 CG ASN A 8 -14.802 1.525 -8.236 1.00 1.63 C ATOM 140 OD1 ASN A 8 -13.709 1.436 -7.713 1.00 2.44 O ATOM 141 ND2 ASN A 8 -15.610 2.484 -7.905 1.00 1.47 N ATOM 0 H ASN A 8 -16.194 2.888 -10.255 1.00 0.59 H new ATOM 0 HA ASN A 8 -14.060 0.908 -11.044 1.00 0.68 H new ATOM 0 HB2 ASN A 8 -16.299 0.254 -9.131 1.00 0.91 H new ATOM 0 HB3 ASN A 8 -14.675 -0.402 -9.198 1.00 0.91 H new ATOM 0 HD21 ASN A 8 -15.329 3.168 -7.203 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -16.526 2.554 -8.347 1.00 1.47 H new ATOM 148 N ARG A 9 -17.157 1.171 -11.936 1.00 0.66 N ATOM 149 CA ARG A 9 -18.164 0.631 -12.880 1.00 0.76 C ATOM 150 C ARG A 9 -17.830 0.968 -14.359 1.00 0.57 C ATOM 151 O ARG A 9 -18.162 0.191 -15.229 1.00 0.61 O ATOM 152 CB ARG A 9 -19.535 1.214 -12.520 1.00 1.15 C ATOM 153 CG ARG A 9 -19.673 1.372 -11.000 1.00 1.16 C ATOM 154 CD ARG A 9 -19.574 0.009 -10.316 1.00 1.56 C ATOM 155 NE ARG A 9 -19.695 0.192 -8.845 1.00 1.99 N ATOM 156 CZ ARG A 9 -19.976 -0.827 -8.080 1.00 2.90 C ATOM 157 NH1 ARG A 9 -20.176 -2.003 -8.609 1.00 3.37 N ATOM 158 NH2 ARG A 9 -20.061 -0.667 -6.788 1.00 3.67 N ATOM 0 H ARG A 9 -17.389 2.079 -11.533 1.00 0.66 H new ATOM 0 HA ARG A 9 -18.164 -0.455 -12.789 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -19.663 2.182 -13.005 1.00 1.15 H new ATOM 0 HB3 ARG A 9 -20.323 0.562 -12.896 1.00 1.15 H new ATOM 0 HG2 ARG A 9 -18.893 2.033 -10.624 1.00 1.16 H new ATOM 0 HG3 ARG A 9 -20.629 1.838 -10.761 1.00 1.16 H new ATOM 0 HD2 ARG A 9 -20.362 -0.652 -10.679 1.00 1.56 H new ATOM 0 HD3 ARG A 9 -18.623 -0.465 -10.559 1.00 1.56 H new ATOM 0 HE ARG A 9 -19.558 1.115 -8.434 1.00 1.99 H new ATOM 0 HH11 ARG A 9 -20.113 -2.125 -9.620 1.00 3.37 H new ATOM 0 HH12 ARG A 9 -20.396 -2.800 -8.012 1.00 3.37 H new ATOM 0 HH21 ARG A 9 -19.908 0.254 -6.377 1.00 3.67 H new ATOM 0 HH22 ARG A 9 -20.281 -1.463 -6.189 1.00 3.67 H new ATOM 172 N PRO A 10 -17.221 2.111 -14.632 1.00 0.48 N ATOM 173 CA PRO A 10 -16.907 2.490 -16.031 1.00 0.50 C ATOM 174 C PRO A 10 -16.003 1.473 -16.785 1.00 0.48 C ATOM 175 O PRO A 10 -16.275 1.187 -17.934 1.00 0.62 O ATOM 176 CB PRO A 10 -16.245 3.885 -15.930 1.00 0.58 C ATOM 177 CG PRO A 10 -16.335 4.334 -14.443 1.00 0.57 C ATOM 178 CD PRO A 10 -16.819 3.121 -13.618 1.00 0.53 C ATOM 0 HA PRO A 10 -17.818 2.499 -16.630 1.00 0.50 H new ATOM 0 HB2 PRO A 10 -15.206 3.842 -16.256 1.00 0.58 H new ATOM 0 HB3 PRO A 10 -16.753 4.599 -16.578 1.00 0.58 H new ATOM 0 HG2 PRO A 10 -15.363 4.676 -14.087 1.00 0.57 H new ATOM 0 HG3 PRO A 10 -17.026 5.170 -14.336 1.00 0.57 H new ATOM 0 HD2 PRO A 10 -16.028 2.740 -12.972 1.00 0.53 H new ATOM 0 HD3 PRO A 10 -17.656 3.389 -12.973 1.00 0.53 H new ATOM 186 N PRO A 11 -14.944 0.983 -16.173 1.00 0.44 N ATOM 187 CA PRO A 11 -14.025 0.053 -16.865 1.00 0.58 C ATOM 188 C PRO A 11 -14.721 -1.238 -17.346 1.00 0.60 C ATOM 189 O PRO A 11 -14.065 -2.130 -17.843 1.00 0.91 O ATOM 190 CB PRO A 11 -12.909 -0.250 -15.836 1.00 0.66 C ATOM 191 CG PRO A 11 -13.195 0.611 -14.575 1.00 0.57 C ATOM 192 CD PRO A 11 -14.565 1.296 -14.783 1.00 0.41 C ATOM 0 HA PRO A 11 -13.634 0.502 -17.778 1.00 0.58 H new ATOM 0 HB2 PRO A 11 -12.898 -1.310 -15.583 1.00 0.66 H new ATOM 0 HB3 PRO A 11 -11.930 -0.011 -16.250 1.00 0.66 H new ATOM 0 HG2 PRO A 11 -13.209 -0.012 -13.680 1.00 0.57 H new ATOM 0 HG3 PRO A 11 -12.412 1.355 -14.433 1.00 0.57 H new ATOM 0 HD2 PRO A 11 -15.306 0.918 -14.078 1.00 0.41 H new ATOM 0 HD3 PRO A 11 -14.495 2.372 -14.626 1.00 0.41 H new ATOM 200 N LEU A 12 -16.027 -1.362 -17.225 1.00 0.55 N ATOM 201 CA LEU A 12 -16.690 -2.621 -17.715 1.00 0.62 C ATOM 202 C LEU A 12 -18.086 -2.319 -18.290 1.00 0.57 C ATOM 203 O LEU A 12 -18.218 -1.867 -19.409 1.00 0.87 O ATOM 204 CB LEU A 12 -16.794 -3.662 -16.571 1.00 0.80 C ATOM 205 CG LEU A 12 -16.969 -2.965 -15.193 1.00 0.87 C ATOM 206 CD1 LEU A 12 -17.987 -3.728 -14.335 1.00 1.13 C ATOM 207 CD2 LEU A 12 -15.629 -2.927 -14.441 1.00 1.05 C ATOM 0 H LEU A 12 -16.650 -0.664 -16.818 1.00 0.55 H new ATOM 0 HA LEU A 12 -16.074 -3.038 -18.512 1.00 0.62 H new ATOM 0 HB2 LEU A 12 -17.638 -4.326 -16.756 1.00 0.80 H new ATOM 0 HB3 LEU A 12 -15.898 -4.282 -16.557 1.00 0.80 H new ATOM 0 HG LEU A 12 -17.323 -1.950 -15.371 1.00 0.87 H new ATOM 0 HD11 LEU A 12 -18.099 -3.228 -13.373 1.00 1.13 H new ATOM 0 HD12 LEU A 12 -18.949 -3.751 -14.846 1.00 1.13 H new ATOM 0 HD13 LEU A 12 -17.637 -4.748 -14.175 1.00 1.13 H new ATOM 0 HD21 LEU A 12 -15.766 -2.436 -13.478 1.00 1.05 H new ATOM 0 HD22 LEU A 12 -15.272 -3.945 -14.282 1.00 1.05 H new ATOM 0 HD23 LEU A 12 -14.897 -2.373 -15.029 1.00 1.05 H new ATOM 219 N GLU A 13 -19.128 -2.610 -17.553 1.00 0.65 N ATOM 220 CA GLU A 13 -20.513 -2.387 -18.083 1.00 0.75 C ATOM 221 C GLU A 13 -21.020 -0.980 -17.753 1.00 0.74 C ATOM 222 O GLU A 13 -22.158 -0.653 -18.022 1.00 0.95 O ATOM 223 CB GLU A 13 -21.459 -3.416 -17.460 1.00 1.03 C ATOM 224 CG GLU A 13 -21.072 -4.819 -17.934 1.00 1.27 C ATOM 225 CD GLU A 13 -21.435 -4.979 -19.411 1.00 1.82 C ATOM 226 OE1 GLU A 13 -22.301 -4.253 -19.871 1.00 2.42 O ATOM 227 OE2 GLU A 13 -20.843 -5.827 -20.058 1.00 2.40 O ATOM 0 H GLU A 13 -19.083 -2.992 -16.608 1.00 0.65 H new ATOM 0 HA GLU A 13 -20.485 -2.495 -19.167 1.00 0.75 H new ATOM 0 HB2 GLU A 13 -21.408 -3.361 -16.373 1.00 1.03 H new ATOM 0 HB3 GLU A 13 -22.489 -3.197 -17.742 1.00 1.03 H new ATOM 0 HG2 GLU A 13 -20.003 -4.980 -17.792 1.00 1.27 H new ATOM 0 HG3 GLU A 13 -21.590 -5.571 -17.338 1.00 1.27 H new ATOM 234 N GLU A 14 -20.205 -0.148 -17.169 1.00 0.68 N ATOM 235 CA GLU A 14 -20.673 1.226 -16.831 1.00 0.89 C ATOM 236 C GLU A 14 -21.971 1.110 -16.044 1.00 0.94 C ATOM 237 O GLU A 14 -22.727 2.053 -15.921 1.00 1.55 O ATOM 238 CB GLU A 14 -20.916 2.023 -18.123 1.00 1.17 C ATOM 239 CG GLU A 14 -19.580 2.530 -18.685 1.00 1.14 C ATOM 240 CD GLU A 14 -19.727 2.837 -20.179 1.00 1.64 C ATOM 241 OE1 GLU A 14 -20.831 3.149 -20.593 1.00 2.06 O ATOM 242 OE2 GLU A 14 -18.734 2.754 -20.882 1.00 2.31 O ATOM 0 H GLU A 14 -19.240 -0.357 -16.912 1.00 0.68 H new ATOM 0 HA GLU A 14 -19.920 1.744 -16.237 1.00 0.89 H new ATOM 0 HB2 GLU A 14 -21.415 1.394 -18.860 1.00 1.17 H new ATOM 0 HB3 GLU A 14 -21.579 2.865 -17.922 1.00 1.17 H new ATOM 0 HG2 GLU A 14 -19.267 3.426 -18.150 1.00 1.14 H new ATOM 0 HG3 GLU A 14 -18.803 1.780 -18.533 1.00 1.14 H new ATOM 249 N ASP A 15 -22.236 -0.050 -15.517 1.00 1.07 N ATOM 250 CA ASP A 15 -23.484 -0.243 -14.745 1.00 1.20 C ATOM 251 C ASP A 15 -23.480 0.693 -13.535 1.00 1.34 C ATOM 252 O ASP A 15 -22.479 1.298 -13.213 1.00 2.23 O ATOM 253 CB ASP A 15 -23.572 -1.696 -14.274 1.00 1.49 C ATOM 254 CG ASP A 15 -24.909 -1.926 -13.567 1.00 1.87 C ATOM 255 OD1 ASP A 15 -25.930 -1.600 -14.150 1.00 2.50 O ATOM 256 OD2 ASP A 15 -24.890 -2.426 -12.454 1.00 2.03 O ATOM 0 H ASP A 15 -21.638 -0.873 -15.590 1.00 1.07 H new ATOM 0 HA ASP A 15 -24.344 -0.017 -15.375 1.00 1.20 H new ATOM 0 HB2 ASP A 15 -23.478 -2.371 -15.125 1.00 1.49 H new ATOM 0 HB3 ASP A 15 -22.748 -1.920 -13.597 1.00 1.49 H new ATOM 261 N ASP A 16 -24.586 0.816 -12.857 1.00 1.38 N ATOM 262 CA ASP A 16 -24.634 1.703 -11.672 1.00 1.96 C ATOM 263 C ASP A 16 -24.050 0.951 -10.477 1.00 2.73 C ATOM 264 O ASP A 16 -22.850 0.870 -10.303 1.00 3.35 O ATOM 265 CB ASP A 16 -26.094 2.077 -11.390 1.00 1.75 C ATOM 266 CG ASP A 16 -26.509 3.259 -12.273 1.00 2.35 C ATOM 267 OD1 ASP A 16 -26.861 3.025 -13.417 1.00 3.01 O ATOM 268 OD2 ASP A 16 -26.465 4.379 -11.789 1.00 2.63 O ATOM 0 H ASP A 16 -25.459 0.337 -13.076 1.00 1.38 H new ATOM 0 HA ASP A 16 -24.058 2.611 -11.850 1.00 1.96 H new ATOM 0 HB2 ASP A 16 -26.742 1.222 -11.584 1.00 1.75 H new ATOM 0 HB3 ASP A 16 -26.215 2.337 -10.338 1.00 1.75 H new ATOM 273 N GLU A 17 -24.894 0.400 -9.657 1.00 2.99 N ATOM 274 CA GLU A 17 -24.409 -0.353 -8.469 1.00 3.97 C ATOM 275 C GLU A 17 -25.435 -1.426 -8.103 1.00 4.44 C ATOM 276 O GLU A 17 -25.087 -2.530 -7.734 1.00 4.39 O ATOM 277 CB GLU A 17 -24.243 0.615 -7.299 1.00 4.23 C ATOM 278 CG GLU A 17 -23.012 1.497 -7.529 1.00 4.26 C ATOM 279 CD GLU A 17 -22.703 2.280 -6.252 1.00 5.23 C ATOM 280 OE1 GLU A 17 -23.524 2.251 -5.350 1.00 5.57 O ATOM 281 OE2 GLU A 17 -21.650 2.894 -6.197 1.00 5.91 O ATOM 0 H GLU A 17 -25.908 0.438 -9.758 1.00 2.99 H new ATOM 0 HA GLU A 17 -23.452 -0.825 -8.692 1.00 3.97 H new ATOM 0 HB2 GLU A 17 -25.133 1.236 -7.199 1.00 4.23 H new ATOM 0 HB3 GLU A 17 -24.135 0.059 -6.367 1.00 4.23 H new ATOM 0 HG2 GLU A 17 -22.157 0.881 -7.807 1.00 4.26 H new ATOM 0 HG3 GLU A 17 -23.193 2.184 -8.356 1.00 4.26 H new ATOM 288 N GLU A 18 -26.699 -1.114 -8.207 1.00 5.24 N ATOM 289 CA GLU A 18 -27.744 -2.122 -7.871 1.00 5.97 C ATOM 290 C GLU A 18 -27.424 -3.431 -8.592 1.00 5.91 C ATOM 291 O GLU A 18 -27.551 -4.506 -8.039 1.00 6.62 O ATOM 292 CB GLU A 18 -29.114 -1.608 -8.324 1.00 6.80 C ATOM 293 CG GLU A 18 -30.187 -2.649 -7.994 1.00 7.66 C ATOM 294 CD GLU A 18 -31.571 -2.068 -8.295 1.00 8.51 C ATOM 295 OE1 GLU A 18 -31.637 -1.098 -9.032 1.00 8.98 O ATOM 296 OE2 GLU A 18 -32.540 -2.602 -7.782 1.00 8.87 O ATOM 0 H GLU A 18 -27.052 -0.206 -8.510 1.00 5.24 H new ATOM 0 HA GLU A 18 -27.762 -2.291 -6.794 1.00 5.97 H new ATOM 0 HB2 GLU A 18 -29.343 -0.665 -7.827 1.00 6.80 H new ATOM 0 HB3 GLU A 18 -29.103 -1.409 -9.396 1.00 6.80 H new ATOM 0 HG2 GLU A 18 -30.025 -3.553 -8.581 1.00 7.66 H new ATOM 0 HG3 GLU A 18 -30.121 -2.935 -6.944 1.00 7.66 H new ATOM 303 N GLY A 19 -27.000 -3.346 -9.825 1.00 5.28 N ATOM 304 CA GLY A 19 -26.657 -4.579 -10.595 1.00 5.61 C ATOM 305 C GLY A 19 -25.154 -4.838 -10.484 1.00 5.58 C ATOM 306 O GLY A 19 -24.626 -5.758 -11.078 1.00 6.33 O ATOM 0 H GLY A 19 -26.876 -2.471 -10.335 1.00 5.28 H new ATOM 0 HA2 GLY A 19 -27.215 -5.431 -10.207 1.00 5.61 H new ATOM 0 HA3 GLY A 19 -26.942 -4.461 -11.640 1.00 5.61 H new ATOM 310 N GLU A 20 -24.460 -4.031 -9.726 1.00 4.99 N ATOM 311 CA GLU A 20 -22.989 -4.226 -9.574 1.00 5.43 C ATOM 312 C GLU A 20 -22.353 -4.431 -10.951 1.00 5.84 C ATOM 313 O GLU A 20 -22.140 -5.574 -11.320 1.00 6.24 O ATOM 314 CB GLU A 20 -22.729 -5.456 -8.698 1.00 5.87 C ATOM 315 CG GLU A 20 -22.989 -5.108 -7.231 1.00 6.13 C ATOM 316 CD GLU A 20 -21.864 -4.213 -6.710 1.00 6.76 C ATOM 317 OE1 GLU A 20 -20.902 -4.020 -7.437 1.00 7.07 O ATOM 318 OE2 GLU A 20 -21.981 -3.734 -5.594 1.00 7.17 O ATOM 319 OXT GLU A 20 -22.091 -3.440 -11.614 1.00 6.10 O ATOM 0 H GLU A 20 -24.849 -3.245 -9.205 1.00 4.99 H new ATOM 0 HA GLU A 20 -22.551 -3.345 -9.104 1.00 5.43 H new ATOM 0 HB2 GLU A 20 -23.375 -6.278 -9.007 1.00 5.87 H new ATOM 0 HB3 GLU A 20 -21.701 -5.794 -8.825 1.00 5.87 H new ATOM 0 HG2 GLU A 20 -23.948 -4.599 -7.132 1.00 6.13 H new ATOM 0 HG3 GLU A 20 -23.048 -6.019 -6.635 1.00 6.13 H new TER 326 GLU A 20 ATOM 327 N LYS B 21 -17.172 19.750 -3.516 1.00 0.00 N ATOM 328 CA LYS B 21 -16.721 19.427 -2.132 1.00 0.00 C ATOM 329 C LYS B 21 -15.537 18.450 -2.208 1.00 0.00 C ATOM 330 O LYS B 21 -15.034 18.148 -3.272 1.00 0.00 O ATOM 331 CB LYS B 21 -17.900 18.799 -1.345 1.00 0.00 C ATOM 332 CG LYS B 21 -18.462 19.797 -0.316 1.00 0.00 C ATOM 333 CD LYS B 21 -19.142 20.972 -1.038 1.00 0.00 C ATOM 334 CE LYS B 21 -20.422 20.504 -1.758 1.00 0.00 C ATOM 335 NZ LYS B 21 -20.091 20.116 -3.158 1.00 0.00 N ATOM 0 HA LYS B 21 -16.400 20.332 -1.616 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -18.688 18.501 -2.037 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -17.564 17.896 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -19.179 19.296 0.335 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -17.658 20.167 0.320 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -19.389 21.753 -0.319 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -18.452 21.410 -1.760 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -20.861 19.658 -1.229 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -21.165 21.301 -1.756 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -20.552 20.774 -3.819 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -19.061 20.154 -3.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -20.429 19.149 -3.340 1.00 0.00 H new ATOM 351 N LEU B 22 -15.089 17.963 -1.083 1.00 0.00 N ATOM 352 CA LEU B 22 -13.935 17.016 -1.079 1.00 0.00 C ATOM 353 C LEU B 22 -14.436 15.594 -1.337 1.00 0.00 C ATOM 354 O LEU B 22 -13.691 14.725 -1.741 1.00 0.00 O ATOM 355 CB LEU B 22 -13.231 17.073 0.283 1.00 0.00 C ATOM 356 CG LEU B 22 -12.818 18.522 0.608 1.00 0.00 C ATOM 357 CD1 LEU B 22 -12.598 18.668 2.115 1.00 0.00 C ATOM 358 CD2 LEU B 22 -11.516 18.875 -0.125 1.00 0.00 C ATOM 0 H LEU B 22 -15.473 18.180 -0.163 1.00 0.00 H new ATOM 0 HA LEU B 22 -13.233 17.299 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -13.895 16.693 1.060 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -12.351 16.430 0.273 1.00 0.00 H new ATOM 0 HG LEU B 22 -13.611 19.195 0.283 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -12.306 19.693 2.342 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -13.521 18.428 2.642 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -11.810 17.987 2.435 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -11.232 19.901 0.111 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -10.724 18.197 0.193 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -11.666 18.778 -1.200 1.00 0.00 H new ATOM 370 N LEU B 23 -15.696 15.356 -1.110 1.00 0.00 N ATOM 371 CA LEU B 23 -16.257 13.993 -1.342 1.00 0.00 C ATOM 372 C LEU B 23 -15.810 13.478 -2.712 1.00 0.00 C ATOM 373 O LEU B 23 -15.909 12.314 -3.001 1.00 0.00 O ATOM 374 CB LEU B 23 -17.800 14.037 -1.241 1.00 0.00 C ATOM 375 CG LEU B 23 -18.456 14.494 -2.583 1.00 0.00 C ATOM 376 CD1 LEU B 23 -18.889 13.281 -3.425 1.00 0.00 C ATOM 377 CD2 LEU B 23 -19.701 15.351 -2.299 1.00 0.00 C ATOM 0 H LEU B 23 -16.366 16.048 -0.773 1.00 0.00 H new ATOM 0 HA LEU B 23 -15.885 13.309 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -18.175 13.050 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -18.093 14.719 -0.443 1.00 0.00 H new ATOM 0 HG LEU B 23 -17.714 15.073 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -19.343 13.626 -4.354 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -18.018 12.667 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -19.614 12.690 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -20.150 15.664 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -20.423 14.766 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -19.413 16.231 -1.724 1.00 0.00 H new ATOM 389 N ILE B 24 -15.327 14.354 -3.551 1.00 0.00 N ATOM 390 CA ILE B 24 -14.868 13.957 -4.916 1.00 0.00 C ATOM 391 C ILE B 24 -13.362 13.712 -4.879 1.00 0.00 C ATOM 392 O ILE B 24 -12.865 12.710 -5.356 1.00 0.00 O ATOM 393 CB ILE B 24 -15.223 15.067 -5.928 1.00 0.00 C ATOM 394 CG1 ILE B 24 -14.245 16.250 -5.809 1.00 0.00 C ATOM 395 CG2 ILE B 24 -16.653 15.560 -5.662 1.00 0.00 C ATOM 396 CD1 ILE B 24 -14.757 17.430 -6.643 1.00 0.00 C ATOM 0 H ILE B 24 -15.229 15.348 -3.345 1.00 0.00 H new ATOM 0 HA ILE B 24 -15.368 13.041 -5.230 1.00 0.00 H new ATOM 0 HB ILE B 24 -15.150 14.656 -6.935 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -14.144 16.547 -4.765 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -13.255 15.952 -6.153 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -16.906 16.344 -6.376 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -17.351 14.730 -5.773 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -16.719 15.956 -4.649 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -14.062 18.265 -6.556 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -14.835 17.130 -7.688 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -15.738 17.735 -6.278 1.00 0.00 H new ATOM 408 N THR B 25 -12.640 14.624 -4.299 1.00 0.00 N ATOM 409 CA THR B 25 -11.167 14.469 -4.199 1.00 0.00 C ATOM 410 C THR B 25 -10.875 13.257 -3.327 1.00 0.00 C ATOM 411 O THR B 25 -10.057 12.423 -3.661 1.00 0.00 O ATOM 412 CB THR B 25 -10.555 15.718 -3.561 1.00 0.00 C ATOM 413 OG1 THR B 25 -11.097 15.897 -2.259 1.00 0.00 O ATOM 414 CG2 THR B 25 -10.871 16.944 -4.420 1.00 0.00 C ATOM 0 H THR B 25 -13.012 15.479 -3.886 1.00 0.00 H new ATOM 0 HA THR B 25 -10.736 14.336 -5.191 1.00 0.00 H new ATOM 0 HB THR B 25 -9.474 15.596 -3.493 1.00 0.00 H new ATOM 0 HG1 THR B 25 -10.705 16.696 -1.848 1.00 0.00 H new ATOM 0 HG21 THR B 25 -10.434 17.831 -3.962 1.00 0.00 H new ATOM 0 HG22 THR B 25 -10.454 16.807 -5.417 1.00 0.00 H new ATOM 0 HG23 THR B 25 -11.951 17.069 -4.493 1.00 0.00 H new ATOM 422 N ILE B 26 -11.552 13.136 -2.214 1.00 0.00 N ATOM 423 CA ILE B 26 -11.307 11.957 -1.349 1.00 0.00 C ATOM 424 C ILE B 26 -11.840 10.728 -2.060 1.00 0.00 C ATOM 425 O ILE B 26 -11.280 9.654 -1.959 1.00 0.00 O ATOM 426 CB ILE B 26 -11.983 12.122 0.023 1.00 0.00 C ATOM 427 CG1 ILE B 26 -13.531 12.090 -0.113 1.00 0.00 C ATOM 428 CG2 ILE B 26 -11.536 13.456 0.635 1.00 0.00 C ATOM 429 CD1 ILE B 26 -14.079 10.692 0.229 1.00 0.00 C ATOM 0 H ILE B 26 -12.253 13.795 -1.875 1.00 0.00 H new ATOM 0 HA ILE B 26 -10.237 11.854 -1.169 1.00 0.00 H new ATOM 0 HB ILE B 26 -11.688 11.296 0.670 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -13.975 12.832 0.551 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -13.817 12.360 -1.130 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -12.008 13.586 1.609 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -10.453 13.457 0.754 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -11.829 14.274 -0.023 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -15.164 10.692 0.127 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -13.651 9.957 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -13.810 10.437 1.254 1.00 0.00 H new ATOM 441 N HIS B 27 -12.904 10.864 -2.808 1.00 0.00 N ATOM 442 CA HIS B 27 -13.411 9.669 -3.532 1.00 0.00 C ATOM 443 C HIS B 27 -12.437 9.365 -4.666 1.00 0.00 C ATOM 444 O HIS B 27 -12.420 8.283 -5.219 1.00 0.00 O ATOM 445 CB HIS B 27 -14.799 9.949 -4.108 1.00 0.00 C ATOM 446 CG HIS B 27 -15.855 9.742 -3.056 1.00 0.00 C ATOM 447 ND1 HIS B 27 -15.584 9.169 -1.824 1.00 0.00 N ATOM 448 CD2 HIS B 27 -17.192 10.034 -3.047 1.00 0.00 C ATOM 449 CE1 HIS B 27 -16.736 9.135 -1.131 1.00 0.00 C ATOM 450 NE2 HIS B 27 -17.751 9.650 -1.832 1.00 0.00 N ATOM 0 H HIS B 27 -13.429 11.727 -2.945 1.00 0.00 H new ATOM 0 HA HIS B 27 -13.488 8.821 -2.851 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -14.845 10.972 -4.482 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -14.987 9.291 -4.956 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -14.676 8.834 -1.501 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -17.732 10.494 -3.861 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -16.830 8.740 -0.130 1.00 0.00 H new ATOM 458 N ASP B 28 -11.622 10.321 -5.008 1.00 0.00 N ATOM 459 CA ASP B 28 -10.634 10.114 -6.101 1.00 0.00 C ATOM 460 C ASP B 28 -9.364 9.516 -5.514 1.00 0.00 C ATOM 461 O ASP B 28 -8.664 8.756 -6.154 1.00 0.00 O ATOM 462 CB ASP B 28 -10.298 11.461 -6.728 1.00 0.00 C ATOM 463 CG ASP B 28 -9.440 11.247 -7.976 1.00 0.00 C ATOM 464 OD1 ASP B 28 -8.255 11.000 -7.821 1.00 0.00 O ATOM 465 OD2 ASP B 28 -9.982 11.333 -9.065 1.00 0.00 O ATOM 0 H ASP B 28 -11.598 11.244 -4.574 1.00 0.00 H new ATOM 0 HA ASP B 28 -11.050 9.444 -6.854 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -11.214 11.990 -6.991 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -9.765 12.085 -6.010 1.00 0.00 H new ATOM 470 N ARG B 29 -9.073 9.842 -4.290 1.00 0.00 N ATOM 471 CA ARG B 29 -7.860 9.281 -3.646 1.00 0.00 C ATOM 472 C ARG B 29 -8.067 7.773 -3.557 1.00 0.00 C ATOM 473 O ARG B 29 -7.136 7.007 -3.412 1.00 0.00 O ATOM 474 CB ARG B 29 -7.666 9.948 -2.257 1.00 0.00 C ATOM 475 CG ARG B 29 -7.751 8.930 -1.100 1.00 0.00 C ATOM 476 CD ARG B 29 -7.557 9.643 0.260 1.00 0.00 C ATOM 477 NE ARG B 29 -6.569 8.890 1.102 1.00 0.00 N ATOM 478 CZ ARG B 29 -6.648 7.593 1.248 1.00 0.00 C ATOM 479 NH1 ARG B 29 -7.645 6.932 0.730 1.00 0.00 N ATOM 480 NH2 ARG B 29 -5.737 6.961 1.935 1.00 0.00 N ATOM 0 H ARG B 29 -9.623 10.473 -3.708 1.00 0.00 H new ATOM 0 HA ARG B 29 -6.952 9.480 -4.215 1.00 0.00 H new ATOM 0 HB2 ARG B 29 -6.697 10.447 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG B 29 -8.425 10.718 -2.117 1.00 0.00 H new ATOM 0 HG2 ARG B 29 -8.718 8.427 -1.120 1.00 0.00 H new ATOM 0 HG3 ARG B 29 -6.989 8.161 -1.227 1.00 0.00 H new ATOM 0 HD2 ARG B 29 -7.206 10.662 0.098 1.00 0.00 H new ATOM 0 HD3 ARG B 29 -8.511 9.714 0.782 1.00 0.00 H new ATOM 0 HE ARG B 29 -5.820 9.401 1.570 1.00 0.00 H new ATOM 0 HH11 ARG B 29 -8.368 7.426 0.208 1.00 0.00 H new ATOM 0 HH12 ARG B 29 -7.702 5.920 0.847 1.00 0.00 H new ATOM 0 HH21 ARG B 29 -4.966 7.478 2.357 1.00 0.00 H new ATOM 0 HH22 ARG B 29 -5.796 5.949 2.051 1.00 0.00 H new ATOM 494 N LYS B 30 -9.295 7.349 -3.679 1.00 0.00 N ATOM 495 CA LYS B 30 -9.592 5.896 -3.643 1.00 0.00 C ATOM 496 C LYS B 30 -8.650 5.217 -4.641 1.00 0.00 C ATOM 497 O LYS B 30 -8.408 4.028 -4.594 1.00 0.00 O ATOM 498 CB LYS B 30 -11.069 5.672 -4.043 1.00 0.00 C ATOM 499 CG LYS B 30 -11.672 4.492 -3.266 1.00 0.00 C ATOM 500 CD LYS B 30 -10.969 3.190 -3.667 1.00 0.00 C ATOM 501 CE LYS B 30 -11.827 1.989 -3.258 1.00 0.00 C ATOM 502 NZ LYS B 30 -13.169 2.089 -3.899 1.00 0.00 N ATOM 0 H LYS B 30 -10.108 7.953 -3.803 1.00 0.00 H new ATOM 0 HA LYS B 30 -9.443 5.479 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -11.645 6.576 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -11.135 5.480 -5.114 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -11.565 4.658 -2.194 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -12.740 4.417 -3.472 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -10.797 3.176 -4.743 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -9.992 3.131 -3.187 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -11.338 1.062 -3.558 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -11.933 1.958 -2.174 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -13.562 1.135 -4.033 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -13.804 2.643 -3.290 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -13.079 2.559 -4.822 1.00 0.00 H new ATOM 516 N GLU B 31 -8.119 5.992 -5.548 1.00 0.00 N ATOM 517 CA GLU B 31 -7.189 5.441 -6.568 1.00 0.00 C ATOM 518 C GLU B 31 -6.091 4.607 -5.893 1.00 0.00 C ATOM 519 O GLU B 31 -5.962 3.422 -6.132 1.00 0.00 O ATOM 520 CB GLU B 31 -6.575 6.616 -7.352 1.00 0.00 C ATOM 521 CG GLU B 31 -5.254 6.199 -8.019 1.00 0.00 C ATOM 522 CD GLU B 31 -4.956 7.117 -9.209 1.00 0.00 C ATOM 523 OE1 GLU B 31 -5.845 7.306 -10.022 1.00 0.00 O ATOM 524 OE2 GLU B 31 -3.844 7.615 -9.285 1.00 0.00 O ATOM 0 H GLU B 31 -8.294 6.994 -5.624 1.00 0.00 H new ATOM 0 HA GLU B 31 -7.730 4.787 -7.252 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -7.278 6.959 -8.111 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -6.398 7.455 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -4.440 6.251 -7.296 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -5.317 5.164 -8.354 1.00 0.00 H new ATOM 531 N PHE B 32 -5.290 5.220 -5.073 1.00 0.00 N ATOM 532 CA PHE B 32 -4.180 4.472 -4.400 1.00 0.00 C ATOM 533 C PHE B 32 -4.696 3.755 -3.158 1.00 0.00 C ATOM 534 O PHE B 32 -4.185 2.723 -2.773 1.00 0.00 O ATOM 535 CB PHE B 32 -3.068 5.449 -3.992 1.00 0.00 C ATOM 536 CG PHE B 32 -1.778 4.696 -3.763 1.00 0.00 C ATOM 537 CD1 PHE B 32 -1.629 3.926 -2.612 1.00 0.00 C ATOM 538 CD2 PHE B 32 -0.736 4.769 -4.697 1.00 0.00 C ATOM 539 CE1 PHE B 32 -0.441 3.223 -2.385 1.00 0.00 C ATOM 540 CE2 PHE B 32 0.454 4.067 -4.473 1.00 0.00 C ATOM 541 CZ PHE B 32 0.602 3.293 -3.316 1.00 0.00 C ATOM 0 H PHE B 32 -5.351 6.210 -4.834 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.786 3.735 -5.100 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -2.928 6.199 -4.770 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -3.354 5.981 -3.085 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -2.433 3.871 -1.893 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -0.851 5.367 -5.589 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -0.329 2.626 -1.492 1.00 0.00 H new ATOM 0 HE2 PHE B 32 1.258 4.122 -5.192 1.00 0.00 H new ATOM 0 HZ PHE B 32 1.520 2.751 -3.142 1.00 0.00 H new ATOM 551 N ALA B 33 -5.688 4.303 -2.522 1.00 0.00 N ATOM 552 CA ALA B 33 -6.225 3.679 -1.278 1.00 0.00 C ATOM 553 C ALA B 33 -6.293 2.158 -1.421 1.00 0.00 C ATOM 554 O ALA B 33 -6.160 1.443 -0.459 1.00 0.00 O ATOM 555 CB ALA B 33 -7.625 4.224 -0.993 1.00 0.00 C ATOM 0 H ALA B 33 -6.156 5.163 -2.810 1.00 0.00 H new ATOM 0 HA ALA B 33 -5.557 3.924 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -8.015 3.767 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -7.575 5.305 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -8.284 3.989 -1.829 1.00 0.00 H new ATOM 561 N LYS B 34 -6.497 1.652 -2.609 1.00 0.00 N ATOM 562 CA LYS B 34 -6.560 0.166 -2.781 1.00 0.00 C ATOM 563 C LYS B 34 -5.158 -0.410 -3.006 1.00 0.00 C ATOM 564 O LYS B 34 -4.822 -1.448 -2.470 1.00 0.00 O ATOM 565 CB LYS B 34 -7.459 -0.180 -3.971 1.00 0.00 C ATOM 566 CG LYS B 34 -7.427 -1.691 -4.214 1.00 0.00 C ATOM 567 CD LYS B 34 -8.561 -2.081 -5.166 1.00 0.00 C ATOM 568 CE LYS B 34 -8.360 -3.524 -5.636 1.00 0.00 C ATOM 569 NZ LYS B 34 -7.166 -3.595 -6.526 1.00 0.00 N ATOM 0 H LYS B 34 -6.622 2.196 -3.463 1.00 0.00 H new ATOM 0 HA LYS B 34 -6.975 -0.272 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -8.481 0.146 -3.775 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -7.121 0.349 -4.862 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -6.466 -1.981 -4.639 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -7.532 -2.224 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -9.523 -1.982 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -8.579 -1.407 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -8.227 -4.182 -4.777 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -9.245 -3.871 -6.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -7.249 -4.421 -7.153 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -7.109 -2.730 -7.100 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -6.306 -3.684 -5.947 1.00 0.00 H new ATOM 583 N PHE B 35 -4.333 0.245 -3.790 1.00 0.00 N ATOM 584 CA PHE B 35 -2.955 -0.279 -4.035 1.00 0.00 C ATOM 585 C PHE B 35 -2.351 -0.682 -2.689 1.00 0.00 C ATOM 586 O PHE B 35 -1.445 -1.486 -2.600 1.00 0.00 O ATOM 587 CB PHE B 35 -2.113 0.841 -4.690 1.00 0.00 C ATOM 588 CG PHE B 35 -1.742 0.477 -6.106 1.00 0.00 C ATOM 589 CD1 PHE B 35 -2.609 0.761 -7.167 1.00 0.00 C ATOM 590 CD2 PHE B 35 -0.525 -0.141 -6.345 1.00 0.00 C ATOM 591 CE1 PHE B 35 -2.246 0.418 -8.474 1.00 0.00 C ATOM 592 CE2 PHE B 35 -0.153 -0.488 -7.649 1.00 0.00 C ATOM 593 CZ PHE B 35 -1.016 -0.207 -8.717 1.00 0.00 C ATOM 0 H PHE B 35 -4.556 1.118 -4.269 1.00 0.00 H new ATOM 0 HA PHE B 35 -2.973 -1.145 -4.697 1.00 0.00 H new ATOM 0 HB2 PHE B 35 -2.676 1.774 -4.686 1.00 0.00 H new ATOM 0 HB3 PHE B 35 -1.209 1.011 -4.105 1.00 0.00 H new ATOM 0 HD1 PHE B 35 -3.556 1.244 -6.977 1.00 0.00 H new ATOM 0 HD2 PHE B 35 0.140 -0.356 -5.521 1.00 0.00 H new ATOM 0 HE1 PHE B 35 -2.913 0.635 -9.295 1.00 0.00 H new ATOM 0 HE2 PHE B 35 0.796 -0.971 -7.832 1.00 0.00 H new ATOM 0 HZ PHE B 35 -0.733 -0.472 -9.725 1.00 0.00 H new ATOM 603 N GLU B 36 -2.874 -0.116 -1.651 1.00 0.00 N ATOM 604 CA GLU B 36 -2.397 -0.418 -0.289 1.00 0.00 C ATOM 605 C GLU B 36 -2.359 -1.938 -0.070 1.00 0.00 C ATOM 606 O GLU B 36 -1.672 -2.432 0.801 1.00 0.00 O ATOM 607 CB GLU B 36 -3.368 0.246 0.700 1.00 0.00 C ATOM 608 CG GLU B 36 -4.688 -0.533 0.782 1.00 0.00 C ATOM 609 CD GLU B 36 -5.652 0.196 1.722 1.00 0.00 C ATOM 610 OE1 GLU B 36 -5.283 1.247 2.220 1.00 0.00 O ATOM 611 OE2 GLU B 36 -6.743 -0.311 1.928 1.00 0.00 O ATOM 0 H GLU B 36 -3.634 0.563 -1.693 1.00 0.00 H new ATOM 0 HA GLU B 36 -1.387 -0.035 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -2.909 0.296 1.687 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -3.566 1.272 0.388 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -5.130 -0.626 -0.210 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -4.504 -1.544 1.145 1.00 0.00 H new ATOM 618 N GLU B 37 -3.104 -2.678 -0.849 1.00 0.00 N ATOM 619 CA GLU B 37 -3.125 -4.163 -0.684 1.00 0.00 C ATOM 620 C GLU B 37 -1.999 -4.763 -1.509 1.00 0.00 C ATOM 621 O GLU B 37 -1.272 -5.633 -1.072 1.00 0.00 O ATOM 622 CB GLU B 37 -4.469 -4.707 -1.174 1.00 0.00 C ATOM 623 CG GLU B 37 -4.623 -6.164 -0.738 1.00 0.00 C ATOM 624 CD GLU B 37 -5.849 -6.772 -1.421 1.00 0.00 C ATOM 625 OE1 GLU B 37 -6.937 -6.612 -0.894 1.00 0.00 O ATOM 626 OE2 GLU B 37 -5.679 -7.385 -2.462 1.00 0.00 O ATOM 0 H GLU B 37 -3.700 -2.318 -1.594 1.00 0.00 H new ATOM 0 HA GLU B 37 -2.992 -4.425 0.366 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.285 -4.108 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -4.528 -4.634 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -3.729 -6.730 -1.000 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -4.731 -6.222 0.345 1.00 0.00 H new ATOM 633 N GLU B 38 -1.863 -4.285 -2.706 1.00 0.00 N ATOM 634 CA GLU B 38 -0.801 -4.777 -3.620 1.00 0.00 C ATOM 635 C GLU B 38 0.517 -4.916 -2.845 1.00 0.00 C ATOM 636 O GLU B 38 1.115 -5.972 -2.807 1.00 0.00 O ATOM 637 CB GLU B 38 -0.670 -3.748 -4.767 1.00 0.00 C ATOM 638 CG GLU B 38 -1.218 -4.332 -6.079 1.00 0.00 C ATOM 639 CD GLU B 38 -1.306 -3.230 -7.137 1.00 0.00 C ATOM 640 OE1 GLU B 38 -2.285 -2.501 -7.124 1.00 0.00 O ATOM 641 OE2 GLU B 38 -0.395 -3.136 -7.942 1.00 0.00 O ATOM 0 H GLU B 38 -2.457 -3.556 -3.101 1.00 0.00 H new ATOM 0 HA GLU B 38 -1.048 -5.757 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -1.214 -2.839 -4.512 1.00 0.00 H new ATOM 0 HB3 GLU B 38 0.376 -3.469 -4.895 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -0.570 -5.135 -6.430 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.203 -4.768 -5.911 1.00 0.00 H new ATOM 648 N ARG B 39 0.965 -3.865 -2.222 1.00 0.00 N ATOM 649 CA ARG B 39 2.230 -3.952 -1.444 1.00 0.00 C ATOM 650 C ARG B 39 2.128 -5.114 -0.465 1.00 0.00 C ATOM 651 O ARG B 39 2.903 -6.049 -0.499 1.00 0.00 O ATOM 652 CB ARG B 39 2.423 -2.661 -0.649 1.00 0.00 C ATOM 653 CG ARG B 39 3.817 -2.653 -0.021 1.00 0.00 C ATOM 654 CD ARG B 39 3.962 -1.428 0.885 1.00 0.00 C ATOM 655 NE ARG B 39 3.476 -0.218 0.165 1.00 0.00 N ATOM 656 CZ ARG B 39 3.222 0.878 0.827 1.00 0.00 C ATOM 657 NH1 ARG B 39 3.388 0.913 2.121 1.00 0.00 N ATOM 658 NH2 ARG B 39 2.801 1.939 0.196 1.00 0.00 N ATOM 0 H ARG B 39 0.512 -2.951 -2.217 1.00 0.00 H new ATOM 0 HA ARG B 39 3.069 -4.101 -2.123 1.00 0.00 H new ATOM 0 HB2 ARG B 39 2.302 -1.797 -1.303 1.00 0.00 H new ATOM 0 HB3 ARG B 39 1.662 -2.582 0.128 1.00 0.00 H new ATOM 0 HG2 ARG B 39 3.973 -3.565 0.555 1.00 0.00 H new ATOM 0 HG3 ARG B 39 4.579 -2.634 -0.801 1.00 0.00 H new ATOM 0 HD2 ARG B 39 3.392 -1.572 1.803 1.00 0.00 H new ATOM 0 HD3 ARG B 39 5.005 -1.298 1.174 1.00 0.00 H new ATOM 0 HE ARG B 39 3.342 -0.246 -0.846 1.00 0.00 H new ATOM 0 HH11 ARG B 39 3.716 0.084 2.616 1.00 0.00 H new ATOM 0 HH12 ARG B 39 3.189 1.770 2.638 1.00 0.00 H new ATOM 0 HH21 ARG B 39 2.670 1.913 -0.815 1.00 0.00 H new ATOM 0 HH22 ARG B 39 2.603 2.795 0.714 1.00 0.00 H new ATOM 672 N ALA B 40 1.174 -5.047 0.414 1.00 0.00 N ATOM 673 CA ALA B 40 0.998 -6.127 1.422 1.00 0.00 C ATOM 674 C ALA B 40 0.727 -7.469 0.731 1.00 0.00 C ATOM 675 O ALA B 40 0.741 -8.506 1.363 1.00 0.00 O ATOM 676 CB ALA B 40 -0.181 -5.782 2.334 1.00 0.00 C ATOM 0 H ALA B 40 0.501 -4.283 0.480 1.00 0.00 H new ATOM 0 HA ALA B 40 1.913 -6.211 2.009 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -0.312 -6.572 3.074 1.00 0.00 H new ATOM 0 HB2 ALA B 40 0.016 -4.838 2.842 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -1.088 -5.690 1.737 1.00 0.00 H new ATOM 682 N ARG B 41 0.479 -7.471 -0.555 1.00 0.00 N ATOM 683 CA ARG B 41 0.211 -8.769 -1.243 1.00 0.00 C ATOM 684 C ARG B 41 1.301 -9.777 -0.870 1.00 0.00 C ATOM 685 O ARG B 41 1.022 -10.911 -0.534 1.00 0.00 O ATOM 686 CB ARG B 41 0.207 -8.561 -2.758 1.00 0.00 C ATOM 687 CG ARG B 41 -0.291 -9.833 -3.448 1.00 0.00 C ATOM 688 CD ARG B 41 -0.300 -9.624 -4.963 1.00 0.00 C ATOM 689 NE ARG B 41 1.094 -9.707 -5.483 1.00 0.00 N ATOM 690 CZ ARG B 41 1.306 -9.849 -6.762 1.00 0.00 C ATOM 691 NH1 ARG B 41 0.296 -9.913 -7.588 1.00 0.00 N ATOM 692 NH2 ARG B 41 2.527 -9.926 -7.217 1.00 0.00 N ATOM 0 H ARG B 41 0.451 -6.643 -1.150 1.00 0.00 H new ATOM 0 HA ARG B 41 -0.762 -9.148 -0.930 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -0.434 -7.719 -3.018 1.00 0.00 H new ATOM 0 HB3 ARG B 41 1.211 -8.316 -3.105 1.00 0.00 H new ATOM 0 HG2 ARG B 41 0.352 -10.674 -3.191 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -1.294 -10.080 -3.099 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -0.924 -10.379 -5.442 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -0.733 -8.653 -5.205 1.00 0.00 H new ATOM 0 HE ARG B 41 1.883 -9.653 -4.838 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -0.658 -9.852 -7.233 1.00 0.00 H new ATOM 0 HH12 ARG B 41 0.462 -10.024 -8.588 1.00 0.00 H new ATOM 0 HH21 ARG B 41 3.316 -9.875 -6.572 1.00 0.00 H new ATOM 0 HH22 ARG B 41 2.692 -10.037 -8.217 1.00 0.00 H new ATOM 706 N ALA B 42 2.541 -9.369 -0.920 1.00 0.00 N ATOM 707 CA ALA B 42 3.656 -10.296 -0.562 1.00 0.00 C ATOM 708 C ALA B 42 3.435 -11.664 -1.207 1.00 0.00 C ATOM 709 O ALA B 42 3.774 -12.684 -0.641 1.00 0.00 O ATOM 710 CB ALA B 42 3.709 -10.467 0.956 1.00 0.00 C ATOM 0 H ALA B 42 2.831 -8.430 -1.194 1.00 0.00 H new ATOM 0 HA ALA B 42 4.593 -9.873 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA B 42 4.523 -11.143 1.218 1.00 0.00 H new ATOM 0 HB2 ALA B 42 3.878 -9.498 1.426 1.00 0.00 H new ATOM 0 HB3 ALA B 42 2.765 -10.882 1.309 1.00 0.00 H new ATOM 716 N LYS B 43 2.872 -11.703 -2.380 1.00 0.00 N ATOM 717 CA LYS B 43 2.643 -13.019 -3.038 1.00 0.00 C ATOM 718 C LYS B 43 1.891 -13.937 -2.068 1.00 0.00 C ATOM 719 O LYS B 43 0.682 -13.892 -1.961 1.00 0.00 O ATOM 720 CB LYS B 43 4.006 -13.641 -3.413 1.00 0.00 C ATOM 721 CG LYS B 43 4.393 -13.248 -4.847 1.00 0.00 C ATOM 722 CD LYS B 43 4.555 -11.725 -4.952 1.00 0.00 C ATOM 723 CE LYS B 43 5.693 -11.248 -4.037 1.00 0.00 C ATOM 724 NZ LYS B 43 6.283 -10.000 -4.596 1.00 0.00 N ATOM 0 H LYS B 43 2.562 -10.888 -2.909 1.00 0.00 H new ATOM 0 HA LYS B 43 2.049 -12.891 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS B 43 4.772 -13.302 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS B 43 3.954 -14.726 -3.327 1.00 0.00 H new ATOM 0 HG2 LYS B 43 5.324 -13.741 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS B 43 3.628 -13.589 -5.545 1.00 0.00 H new ATOM 0 HD2 LYS B 43 4.767 -11.445 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS B 43 3.623 -11.233 -4.673 1.00 0.00 H new ATOM 0 HE2 LYS B 43 5.315 -11.066 -3.031 1.00 0.00 H new ATOM 0 HE3 LYS B 43 6.458 -12.021 -3.955 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 7.054 -9.674 -3.979 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 6.657 -10.189 -5.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 5.550 -9.264 -4.652 1.00 0.00 H new ATOM 738 N TRP B 44 2.601 -14.771 -1.367 1.00 0.00 N ATOM 739 CA TRP B 44 1.938 -15.698 -0.407 1.00 0.00 C ATOM 740 C TRP B 44 1.323 -14.898 0.745 1.00 0.00 C ATOM 741 O TRP B 44 1.371 -13.684 0.768 1.00 0.00 O ATOM 742 CB TRP B 44 2.972 -16.685 0.146 1.00 0.00 C ATOM 743 CG TRP B 44 3.906 -17.094 -0.947 1.00 0.00 C ATOM 744 CD1 TRP B 44 3.645 -18.040 -1.879 1.00 0.00 C ATOM 745 CD2 TRP B 44 5.241 -16.589 -1.236 1.00 0.00 C ATOM 746 NE1 TRP B 44 4.737 -18.148 -2.721 1.00 0.00 N ATOM 747 CE2 TRP B 44 5.746 -17.275 -2.366 1.00 0.00 C ATOM 748 CE3 TRP B 44 6.055 -15.614 -0.632 1.00 0.00 C ATOM 749 CZ2 TRP B 44 7.015 -17.002 -2.880 1.00 0.00 C ATOM 750 CZ3 TRP B 44 7.331 -15.335 -1.147 1.00 0.00 C ATOM 751 CH2 TRP B 44 7.810 -16.028 -2.268 1.00 0.00 C ATOM 0 H TRP B 44 3.617 -14.853 -1.416 1.00 0.00 H new ATOM 0 HA TRP B 44 1.150 -16.247 -0.922 1.00 0.00 H new ATOM 0 HB2 TRP B 44 3.529 -16.225 0.962 1.00 0.00 H new ATOM 0 HB3 TRP B 44 2.470 -17.561 0.557 1.00 0.00 H new ATOM 0 HD1 TRP B 44 2.734 -18.616 -1.953 1.00 0.00 H new ATOM 0 HE1 TRP B 44 4.790 -18.794 -3.508 1.00 0.00 H new ATOM 0 HE3 TRP B 44 5.696 -15.077 0.233 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 7.380 -17.539 -3.743 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 7.947 -14.583 -0.677 1.00 0.00 H new ATOM 0 HH2 TRP B 44 8.793 -15.809 -2.659 1.00 0.00 H new ATOM 762 N ASP B 45 0.746 -15.574 1.702 1.00 0.00 N ATOM 763 CA ASP B 45 0.128 -14.862 2.857 1.00 0.00 C ATOM 764 C ASP B 45 1.213 -14.499 3.874 1.00 0.00 C ATOM 765 O ASP B 45 2.281 -15.078 3.888 1.00 0.00 O ATOM 766 CB ASP B 45 -0.906 -15.772 3.523 1.00 0.00 C ATOM 767 CG ASP B 45 -1.638 -14.998 4.622 1.00 0.00 C ATOM 768 OD1 ASP B 45 -1.080 -14.868 5.699 1.00 0.00 O ATOM 769 OD2 ASP B 45 -2.744 -14.550 4.368 1.00 0.00 O ATOM 0 H ASP B 45 0.676 -16.591 1.733 1.00 0.00 H new ATOM 0 HA ASP B 45 -0.359 -13.953 2.503 1.00 0.00 H new ATOM 0 HB2 ASP B 45 -1.619 -16.133 2.782 1.00 0.00 H new ATOM 0 HB3 ASP B 45 -0.415 -16.648 3.946 1.00 0.00 H new ATOM 774 N THR B 46 0.947 -13.547 4.725 1.00 0.00 N ATOM 775 CA THR B 46 1.963 -13.150 5.740 1.00 0.00 C ATOM 776 C THR B 46 2.071 -14.241 6.807 1.00 0.00 C ATOM 777 O THR B 46 2.895 -15.130 6.718 1.00 0.00 O ATOM 778 CB THR B 46 1.540 -11.834 6.398 1.00 0.00 C ATOM 779 OG1 THR B 46 0.286 -12.011 7.041 1.00 0.00 O ATOM 780 CG2 THR B 46 1.419 -10.745 5.331 1.00 0.00 C ATOM 0 H THR B 46 0.070 -13.027 4.762 1.00 0.00 H new ATOM 0 HA THR B 46 2.930 -13.019 5.254 1.00 0.00 H new ATOM 0 HB THR B 46 2.288 -11.537 7.134 1.00 0.00 H new ATOM 0 HG1 THR B 46 0.326 -11.634 7.945 1.00 0.00 H new ATOM 0 HG21 THR B 46 1.118 -9.808 5.800 1.00 0.00 H new ATOM 0 HG22 THR B 46 2.381 -10.611 4.837 1.00 0.00 H new ATOM 0 HG23 THR B 46 0.671 -11.039 4.594 1.00 0.00 H new ATOM 788 N ALA B 47 1.245 -14.182 7.815 1.00 0.00 N ATOM 789 CA ALA B 47 1.301 -15.216 8.886 1.00 0.00 C ATOM 790 C ALA B 47 2.743 -15.364 9.377 1.00 0.00 C ATOM 791 O ALA B 47 3.301 -14.464 9.974 1.00 0.00 O ATOM 792 CB ALA B 47 0.808 -16.554 8.330 1.00 0.00 C ATOM 0 H ALA B 47 0.534 -13.462 7.943 1.00 0.00 H new ATOM 0 HA ALA B 47 0.665 -14.914 9.718 1.00 0.00 H new ATOM 0 HB1 ALA B 47 0.849 -17.311 9.113 1.00 0.00 H new ATOM 0 HB2 ALA B 47 -0.219 -16.447 7.982 1.00 0.00 H new ATOM 0 HB3 ALA B 47 1.443 -16.858 7.498 1.00 0.00 H new ATOM 798 N ASN B 48 3.353 -16.492 9.132 1.00 0.00 N ATOM 799 CA ASN B 48 4.758 -16.695 9.585 1.00 0.00 C ATOM 800 C ASN B 48 5.620 -15.521 9.118 1.00 0.00 C ATOM 801 O ASN B 48 5.826 -15.318 7.938 1.00 0.00 O ATOM 802 CB ASN B 48 5.303 -17.997 8.995 1.00 0.00 C ATOM 803 CG ASN B 48 5.240 -17.933 7.467 1.00 0.00 C ATOM 804 OD1 ASN B 48 4.170 -17.907 6.892 1.00 0.00 O ATOM 805 ND2 ASN B 48 6.350 -17.908 6.782 1.00 0.00 N ATOM 0 H ASN B 48 2.938 -17.282 8.637 1.00 0.00 H new ATOM 0 HA ASN B 48 4.783 -16.753 10.673 1.00 0.00 H new ATOM 0 HB2 ASN B 48 6.331 -18.153 9.321 1.00 0.00 H new ATOM 0 HB3 ASN B 48 4.721 -18.844 9.358 1.00 0.00 H new ATOM 0 HD21 ASN B 48 6.320 -17.867 5.763 1.00 0.00 H new ATOM 0 HD22 ASN B 48 7.248 -17.930 7.265 1.00 0.00 H new ATOM 812 N ASN B 49 6.126 -14.745 10.037 1.00 0.00 N ATOM 813 CA ASN B 49 6.974 -13.585 9.652 1.00 0.00 C ATOM 814 C ASN B 49 8.369 -14.067 9.192 1.00 0.00 C ATOM 815 O ASN B 49 8.866 -13.593 8.191 1.00 0.00 O ATOM 816 CB ASN B 49 7.096 -12.613 10.856 1.00 0.00 C ATOM 817 CG ASN B 49 6.629 -11.203 10.465 1.00 0.00 C ATOM 818 OD1 ASN B 49 7.435 -10.345 10.167 1.00 0.00 O ATOM 819 ND2 ASN B 49 5.353 -10.933 10.455 1.00 0.00 N ATOM 0 H ASN B 49 5.987 -14.866 11.040 1.00 0.00 H new ATOM 0 HA ASN B 49 6.509 -13.059 8.818 1.00 0.00 H new ATOM 0 HB2 ASN B 49 6.498 -12.982 11.689 1.00 0.00 H new ATOM 0 HB3 ASN B 49 8.131 -12.577 11.197 1.00 0.00 H new ATOM 0 HD21 ASN B 49 5.031 -10.000 10.197 1.00 0.00 H new ATOM 0 HD22 ASN B 49 4.677 -11.655 10.706 1.00 0.00 H new ATOM 826 N PRO B 50 8.977 -14.980 9.929 1.00 0.00 N ATOM 827 CA PRO B 50 10.318 -15.481 9.568 1.00 0.00 C ATOM 828 C PRO B 50 10.242 -16.278 8.256 1.00 0.00 C ATOM 829 O PRO B 50 9.484 -17.220 8.135 1.00 0.00 O ATOM 830 CB PRO B 50 10.741 -16.379 10.756 1.00 0.00 C ATOM 831 CG PRO B 50 9.576 -16.363 11.789 1.00 0.00 C ATOM 832 CD PRO B 50 8.406 -15.578 11.155 1.00 0.00 C ATOM 0 HA PRO B 50 11.039 -14.681 9.401 1.00 0.00 H new ATOM 0 HB2 PRO B 50 10.940 -17.396 10.417 1.00 0.00 H new ATOM 0 HB3 PRO B 50 11.661 -16.009 11.209 1.00 0.00 H new ATOM 0 HG2 PRO B 50 9.268 -17.379 12.035 1.00 0.00 H new ATOM 0 HG3 PRO B 50 9.894 -15.892 12.719 1.00 0.00 H new ATOM 0 HD2 PRO B 50 7.568 -16.235 10.922 1.00 0.00 H new ATOM 0 HD3 PRO B 50 8.031 -14.811 11.832 1.00 0.00 H new ATOM 840 N LEU B 51 11.023 -15.906 7.278 1.00 0.00 N ATOM 841 CA LEU B 51 10.995 -16.642 5.983 1.00 0.00 C ATOM 842 C LEU B 51 11.455 -18.082 6.211 1.00 0.00 C ATOM 843 O LEU B 51 10.655 -18.995 6.282 1.00 0.00 O ATOM 844 CB LEU B 51 11.934 -15.958 4.983 1.00 0.00 C ATOM 845 CG LEU B 51 11.534 -14.484 4.808 1.00 0.00 C ATOM 846 CD1 LEU B 51 12.692 -13.712 4.173 1.00 0.00 C ATOM 847 CD2 LEU B 51 10.301 -14.373 3.902 1.00 0.00 C ATOM 0 H LEU B 51 11.678 -15.125 7.320 1.00 0.00 H new ATOM 0 HA LEU B 51 9.980 -16.640 5.585 1.00 0.00 H new ATOM 0 HB2 LEU B 51 12.964 -16.024 5.335 1.00 0.00 H new ATOM 0 HB3 LEU B 51 11.892 -16.471 4.022 1.00 0.00 H new ATOM 0 HG LEU B 51 11.300 -14.065 5.787 1.00 0.00 H new ATOM 0 HD11 LEU B 51 12.408 -12.667 4.049 1.00 0.00 H new ATOM 0 HD12 LEU B 51 13.569 -13.776 4.818 1.00 0.00 H new ATOM 0 HD13 LEU B 51 12.926 -14.142 3.199 1.00 0.00 H new ATOM 0 HD21 LEU B 51 10.028 -13.324 3.786 1.00 0.00 H new ATOM 0 HD22 LEU B 51 10.528 -14.799 2.925 1.00 0.00 H new ATOM 0 HD23 LEU B 51 9.470 -14.917 4.351 1.00 0.00 H new ATOM 859 N TYR B 52 12.736 -18.296 6.327 1.00 0.00 N ATOM 860 CA TYR B 52 13.242 -19.678 6.554 1.00 0.00 C ATOM 861 C TYR B 52 12.742 -20.186 7.907 1.00 0.00 C ATOM 862 O TYR B 52 12.699 -19.454 8.876 1.00 0.00 O ATOM 863 CB TYR B 52 14.772 -19.669 6.548 1.00 0.00 C ATOM 864 CG TYR B 52 15.270 -19.420 5.145 1.00 0.00 C ATOM 865 CD1 TYR B 52 15.243 -20.453 4.201 1.00 0.00 C ATOM 866 CD2 TYR B 52 15.760 -18.158 4.786 1.00 0.00 C ATOM 867 CE1 TYR B 52 15.708 -20.225 2.899 1.00 0.00 C ATOM 868 CE2 TYR B 52 16.223 -17.930 3.485 1.00 0.00 C ATOM 869 CZ TYR B 52 16.197 -18.963 2.541 1.00 0.00 C ATOM 870 OH TYR B 52 16.654 -18.739 1.259 1.00 0.00 O ATOM 0 H TYR B 52 13.454 -17.574 6.274 1.00 0.00 H new ATOM 0 HA TYR B 52 12.879 -20.333 5.762 1.00 0.00 H new ATOM 0 HB2 TYR B 52 15.144 -18.895 7.220 1.00 0.00 H new ATOM 0 HB3 TYR B 52 15.153 -20.621 6.917 1.00 0.00 H new ATOM 0 HD1 TYR B 52 14.864 -21.426 4.476 1.00 0.00 H new ATOM 0 HD2 TYR B 52 15.781 -17.360 5.514 1.00 0.00 H new ATOM 0 HE1 TYR B 52 15.689 -21.023 2.172 1.00 0.00 H new ATOM 0 HE2 TYR B 52 16.601 -16.956 3.209 1.00 0.00 H new ATOM 0 HH TYR B 52 16.957 -17.811 1.177 1.00 0.00 H new ATOM 880 N LYS B 53 12.363 -21.432 7.984 1.00 0.00 N ATOM 881 CA LYS B 53 11.869 -21.980 9.278 1.00 0.00 C ATOM 882 C LYS B 53 13.063 -22.294 10.181 1.00 0.00 C ATOM 883 O LYS B 53 13.131 -23.340 10.795 1.00 0.00 O ATOM 884 CB LYS B 53 11.067 -23.257 9.022 1.00 0.00 C ATOM 885 CG LYS B 53 11.802 -24.130 8.002 1.00 0.00 C ATOM 886 CD LYS B 53 11.161 -25.519 7.965 1.00 0.00 C ATOM 887 CE LYS B 53 11.642 -26.271 6.721 1.00 0.00 C ATOM 888 NZ LYS B 53 11.129 -25.591 5.498 1.00 0.00 N ATOM 0 H LYS B 53 12.374 -22.093 7.208 1.00 0.00 H new ATOM 0 HA LYS B 53 11.227 -21.246 9.765 1.00 0.00 H new ATOM 0 HB2 LYS B 53 10.931 -23.806 9.954 1.00 0.00 H new ATOM 0 HB3 LYS B 53 10.073 -23.006 8.652 1.00 0.00 H new ATOM 0 HG2 LYS B 53 11.757 -23.671 7.015 1.00 0.00 H new ATOM 0 HG3 LYS B 53 12.856 -24.211 8.269 1.00 0.00 H new ATOM 0 HD2 LYS B 53 11.424 -26.076 8.864 1.00 0.00 H new ATOM 0 HD3 LYS B 53 10.075 -25.430 7.951 1.00 0.00 H new ATOM 0 HE2 LYS B 53 12.731 -26.304 6.702 1.00 0.00 H new ATOM 0 HE3 LYS B 53 11.293 -27.303 6.749 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 10.635 -26.282 4.898 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 10.468 -24.836 5.772 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 11.925 -25.180 4.970 1.00 0.00 H new ATOM 902 N GLU B 54 14.005 -21.395 10.266 1.00 0.00 N ATOM 903 CA GLU B 54 15.195 -21.640 11.128 1.00 0.00 C ATOM 904 C GLU B 54 14.806 -21.452 12.597 1.00 0.00 C ATOM 905 O GLU B 54 13.640 -21.443 12.942 1.00 0.00 O ATOM 906 CB GLU B 54 16.304 -20.650 10.763 1.00 0.00 C ATOM 907 CG GLU B 54 15.836 -19.224 11.057 1.00 0.00 C ATOM 908 CD GLU B 54 16.822 -18.227 10.446 1.00 0.00 C ATOM 909 OE1 GLU B 54 18.013 -18.475 10.531 1.00 0.00 O ATOM 910 OE2 GLU B 54 16.370 -17.234 9.901 1.00 0.00 O ATOM 0 H GLU B 54 14.002 -20.501 9.775 1.00 0.00 H new ATOM 0 HA GLU B 54 15.553 -22.658 10.973 1.00 0.00 H new ATOM 0 HB2 GLU B 54 17.206 -20.872 11.333 1.00 0.00 H new ATOM 0 HB3 GLU B 54 16.561 -20.749 9.708 1.00 0.00 H new ATOM 0 HG2 GLU B 54 14.839 -19.065 10.645 1.00 0.00 H new ATOM 0 HG3 GLU B 54 15.765 -19.068 12.133 1.00 0.00 H new ATOM 917 N ALA B 55 15.770 -21.303 13.462 1.00 0.00 N ATOM 918 CA ALA B 55 15.453 -21.119 14.906 1.00 0.00 C ATOM 919 C ALA B 55 14.566 -22.272 15.380 1.00 0.00 C ATOM 920 O ALA B 55 13.368 -22.270 15.177 1.00 0.00 O ATOM 921 CB ALA B 55 14.716 -19.793 15.105 1.00 0.00 C ATOM 0 H ALA B 55 16.764 -21.301 13.232 1.00 0.00 H new ATOM 0 HA ALA B 55 16.378 -21.108 15.483 1.00 0.00 H new ATOM 0 HB1 ALA B 55 14.485 -19.660 16.162 1.00 0.00 H new ATOM 0 HB2 ALA B 55 15.347 -18.972 14.765 1.00 0.00 H new ATOM 0 HB3 ALA B 55 13.790 -19.801 14.530 1.00 0.00 H new ATOM 927 N THR B 56 15.146 -23.259 16.006 1.00 0.00 N ATOM 928 CA THR B 56 14.335 -24.413 16.487 1.00 0.00 C ATOM 929 C THR B 56 15.111 -25.166 17.568 1.00 0.00 C ATOM 930 O THR B 56 16.233 -24.828 17.889 1.00 0.00 O ATOM 931 CB THR B 56 14.047 -25.354 15.315 1.00 0.00 C ATOM 932 OG1 THR B 56 13.617 -26.613 15.813 1.00 0.00 O ATOM 933 CG2 THR B 56 15.318 -25.540 14.484 1.00 0.00 C ATOM 0 H THR B 56 16.145 -23.316 16.205 1.00 0.00 H new ATOM 0 HA THR B 56 13.395 -24.050 16.902 1.00 0.00 H new ATOM 0 HB THR B 56 13.265 -24.925 14.689 1.00 0.00 H new ATOM 0 HG1 THR B 56 13.431 -27.215 15.063 1.00 0.00 H new ATOM 0 HG21 THR B 56 15.112 -26.210 13.649 1.00 0.00 H new ATOM 0 HG22 THR B 56 15.647 -24.574 14.101 1.00 0.00 H new ATOM 0 HG23 THR B 56 16.102 -25.968 15.109 1.00 0.00 H new ATOM 941 N SER B 57 14.523 -26.184 18.133 1.00 0.00 N ATOM 942 CA SER B 57 15.228 -26.958 19.193 1.00 0.00 C ATOM 943 C SER B 57 15.721 -26.002 20.280 1.00 0.00 C ATOM 944 O SER B 57 16.854 -25.564 20.269 1.00 0.00 O ATOM 945 CB SER B 57 16.421 -27.693 18.578 1.00 0.00 C ATOM 946 OG SER B 57 15.972 -28.482 17.485 1.00 0.00 O ATOM 0 H SER B 57 13.585 -26.513 17.906 1.00 0.00 H new ATOM 0 HA SER B 57 14.542 -27.683 19.632 1.00 0.00 H new ATOM 0 HB2 SER B 57 17.170 -26.977 18.241 1.00 0.00 H new ATOM 0 HB3 SER B 57 16.899 -28.325 19.326 1.00 0.00 H new ATOM 0 HG SER B 57 16.734 -28.953 17.087 1.00 0.00 H new ATOM 952 N THR B 58 14.877 -25.674 21.220 1.00 0.00 N ATOM 953 CA THR B 58 15.297 -24.746 22.308 1.00 0.00 C ATOM 954 C THR B 58 16.623 -25.226 22.905 1.00 0.00 C ATOM 955 O THR B 58 17.006 -26.368 22.751 1.00 0.00 O ATOM 956 CB THR B 58 14.221 -24.720 23.397 1.00 0.00 C ATOM 957 OG1 THR B 58 14.694 -23.972 24.508 1.00 0.00 O ATOM 958 CG2 THR B 58 13.899 -26.149 23.838 1.00 0.00 C ATOM 0 H THR B 58 13.915 -26.008 21.282 1.00 0.00 H new ATOM 0 HA THR B 58 15.427 -23.742 21.903 1.00 0.00 H new ATOM 0 HB THR B 58 13.317 -24.255 23.004 1.00 0.00 H new ATOM 0 HG1 THR B 58 14.006 -23.952 25.206 1.00 0.00 H new ATOM 0 HG21 THR B 58 13.133 -26.127 24.613 1.00 0.00 H new ATOM 0 HG22 THR B 58 13.535 -26.720 22.984 1.00 0.00 H new ATOM 0 HG23 THR B 58 14.800 -26.620 24.232 1.00 0.00 H new ATOM 966 N PHE B 59 17.328 -24.360 23.580 1.00 0.00 N ATOM 967 CA PHE B 59 18.631 -24.765 24.182 1.00 0.00 C ATOM 968 C PHE B 59 18.383 -25.604 25.438 1.00 0.00 C ATOM 969 O PHE B 59 17.884 -26.709 25.367 1.00 0.00 O ATOM 970 CB PHE B 59 19.429 -23.512 24.552 1.00 0.00 C ATOM 971 CG PHE B 59 19.602 -22.646 23.328 1.00 0.00 C ATOM 972 CD1 PHE B 59 18.634 -21.686 23.008 1.00 0.00 C ATOM 973 CD2 PHE B 59 20.728 -22.803 22.513 1.00 0.00 C ATOM 974 CE1 PHE B 59 18.794 -20.883 21.872 1.00 0.00 C ATOM 975 CE2 PHE B 59 20.888 -22.000 21.378 1.00 0.00 C ATOM 976 CZ PHE B 59 19.921 -21.040 21.057 1.00 0.00 C ATOM 0 H PHE B 59 17.059 -23.389 23.741 1.00 0.00 H new ATOM 0 HA PHE B 59 19.194 -25.358 23.461 1.00 0.00 H new ATOM 0 HB2 PHE B 59 18.912 -22.956 25.334 1.00 0.00 H new ATOM 0 HB3 PHE B 59 20.403 -23.793 24.952 1.00 0.00 H new ATOM 0 HD1 PHE B 59 17.764 -21.565 23.637 1.00 0.00 H new ATOM 0 HD2 PHE B 59 21.474 -23.544 22.760 1.00 0.00 H new ATOM 0 HE1 PHE B 59 18.048 -20.142 21.625 1.00 0.00 H new ATOM 0 HE2 PHE B 59 21.758 -22.121 20.749 1.00 0.00 H new ATOM 0 HZ PHE B 59 20.045 -20.421 20.181 1.00 0.00 H new ATOM 986 N THR B 60 18.728 -25.085 26.587 1.00 0.00 N ATOM 987 CA THR B 60 18.515 -25.846 27.853 1.00 0.00 C ATOM 988 C THR B 60 19.296 -27.163 27.800 1.00 0.00 C ATOM 989 O THR B 60 19.516 -27.722 26.745 1.00 0.00 O ATOM 990 CB THR B 60 17.020 -26.139 28.033 1.00 0.00 C ATOM 991 OG1 THR B 60 16.271 -24.980 27.698 1.00 0.00 O ATOM 992 CG2 THR B 60 16.743 -26.526 29.486 1.00 0.00 C ATOM 0 H THR B 60 19.150 -24.164 26.703 1.00 0.00 H new ATOM 0 HA THR B 60 18.869 -25.251 28.695 1.00 0.00 H new ATOM 0 HB THR B 60 16.730 -26.963 27.381 1.00 0.00 H new ATOM 0 HG1 THR B 60 15.315 -25.164 27.810 1.00 0.00 H new ATOM 0 HG21 THR B 60 15.680 -26.734 29.611 1.00 0.00 H new ATOM 0 HG22 THR B 60 17.319 -27.415 29.742 1.00 0.00 H new ATOM 0 HG23 THR B 60 17.032 -25.705 30.143 1.00 0.00 H new ATOM 1000 N ASN B 61 19.714 -27.658 28.934 1.00 0.00 N ATOM 1001 CA ASN B 61 20.482 -28.937 28.963 1.00 0.00 C ATOM 1002 C ASN B 61 21.759 -28.793 28.128 1.00 0.00 C ATOM 1003 O ASN B 61 22.840 -28.630 28.657 1.00 0.00 O ATOM 1004 CB ASN B 61 19.616 -30.068 28.397 1.00 0.00 C ATOM 1005 CG ASN B 61 20.210 -31.420 28.799 1.00 0.00 C ATOM 1006 OD1 ASN B 61 19.489 -32.361 29.062 1.00 0.00 O ATOM 1007 ND2 ASN B 61 21.507 -31.557 28.860 1.00 0.00 N ATOM 0 H ASN B 61 19.556 -27.230 29.846 1.00 0.00 H new ATOM 0 HA ASN B 61 20.754 -29.172 29.992 1.00 0.00 H new ATOM 0 HB2 ASN B 61 18.596 -29.981 28.772 1.00 0.00 H new ATOM 0 HB3 ASN B 61 19.564 -29.991 27.311 1.00 0.00 H new ATOM 0 HD21 ASN B 61 21.913 -32.453 29.128 1.00 0.00 H new ATOM 0 HD22 ASN B 61 22.114 -30.768 28.639 1.00 0.00 H new ATOM 1014 N ILE B 62 21.645 -28.854 26.829 1.00 0.00 N ATOM 1015 CA ILE B 62 22.854 -28.720 25.968 1.00 0.00 C ATOM 1016 C ILE B 62 23.425 -27.306 26.108 1.00 0.00 C ATOM 1017 O ILE B 62 22.775 -26.413 26.613 1.00 0.00 O ATOM 1018 CB ILE B 62 22.469 -28.977 24.507 1.00 0.00 C ATOM 1019 CG1 ILE B 62 21.983 -30.422 24.358 1.00 0.00 C ATOM 1020 CG2 ILE B 62 23.687 -28.751 23.606 1.00 0.00 C ATOM 1021 CD1 ILE B 62 21.289 -30.588 23.005 1.00 0.00 C ATOM 0 H ILE B 62 20.767 -28.991 26.327 1.00 0.00 H new ATOM 0 HA ILE B 62 23.606 -29.446 26.278 1.00 0.00 H new ATOM 0 HB ILE B 62 21.673 -28.292 24.215 1.00 0.00 H new ATOM 0 HG12 ILE B 62 22.825 -31.110 24.434 1.00 0.00 H new ATOM 0 HG13 ILE B 62 21.294 -30.671 25.165 1.00 0.00 H new ATOM 0 HG21 ILE B 62 23.411 -28.934 22.568 1.00 0.00 H new ATOM 0 HG22 ILE B 62 24.033 -27.723 23.713 1.00 0.00 H new ATOM 0 HG23 ILE B 62 24.485 -29.435 23.895 1.00 0.00 H new ATOM 0 HD11 ILE B 62 20.943 -31.616 22.897 1.00 0.00 H new ATOM 0 HD12 ILE B 62 20.437 -29.910 22.947 1.00 0.00 H new ATOM 0 HD13 ILE B 62 21.992 -30.356 22.205 1.00 0.00 H new ATOM 1033 N THR B 63 24.638 -27.094 25.664 1.00 0.00 N ATOM 1034 CA THR B 63 25.255 -25.737 25.770 1.00 0.00 C ATOM 1035 C THR B 63 26.115 -25.471 24.533 1.00 0.00 C ATOM 1036 O THR B 63 26.215 -26.295 23.646 1.00 0.00 O ATOM 1037 CB THR B 63 26.135 -25.674 27.022 1.00 0.00 C ATOM 1038 OG1 THR B 63 27.004 -26.799 27.045 1.00 0.00 O ATOM 1039 CG2 THR B 63 25.251 -25.685 28.271 1.00 0.00 C ATOM 0 H THR B 63 25.229 -27.804 25.232 1.00 0.00 H new ATOM 0 HA THR B 63 24.469 -24.985 25.837 1.00 0.00 H new ATOM 0 HB THR B 63 26.725 -24.758 27.006 1.00 0.00 H new ATOM 0 HG1 THR B 63 27.569 -26.760 27.845 1.00 0.00 H new ATOM 0 HG21 THR B 63 25.878 -25.640 29.161 1.00 0.00 H new ATOM 0 HG22 THR B 63 24.585 -24.823 28.253 1.00 0.00 H new ATOM 0 HG23 THR B 63 24.659 -26.600 28.290 1.00 0.00 H new ATOM 1047 N TYR B 64 26.739 -24.325 24.467 1.00 0.00 N ATOM 1048 CA TYR B 64 27.593 -24.008 23.286 1.00 0.00 C ATOM 1049 C TYR B 64 28.893 -24.809 23.368 1.00 0.00 C ATOM 1050 O TYR B 64 29.362 -25.141 24.439 1.00 0.00 O ATOM 1051 CB TYR B 64 27.917 -22.512 23.277 1.00 0.00 C ATOM 1052 CG TYR B 64 26.641 -21.715 23.411 1.00 0.00 C ATOM 1053 CD1 TYR B 64 26.094 -21.477 24.677 1.00 0.00 C ATOM 1054 CD2 TYR B 64 26.005 -21.212 22.269 1.00 0.00 C ATOM 1055 CE1 TYR B 64 24.912 -20.738 24.802 1.00 0.00 C ATOM 1056 CE2 TYR B 64 24.824 -20.473 22.394 1.00 0.00 C ATOM 1057 CZ TYR B 64 24.277 -20.236 23.661 1.00 0.00 C ATOM 1058 OH TYR B 64 23.112 -19.509 23.784 1.00 0.00 O ATOM 0 H TYR B 64 26.694 -23.596 25.179 1.00 0.00 H new ATOM 0 HA TYR B 64 27.060 -24.270 22.372 1.00 0.00 H new ATOM 0 HB2 TYR B 64 28.595 -22.272 24.096 1.00 0.00 H new ATOM 0 HB3 TYR B 64 28.428 -22.246 22.352 1.00 0.00 H new ATOM 0 HD1 TYR B 64 26.584 -21.864 25.558 1.00 0.00 H new ATOM 0 HD2 TYR B 64 26.427 -21.395 21.292 1.00 0.00 H new ATOM 0 HE1 TYR B 64 24.490 -20.555 25.779 1.00 0.00 H new ATOM 0 HE2 TYR B 64 24.334 -20.085 21.513 1.00 0.00 H new ATOM 0 HH TYR B 64 22.803 -19.234 22.896 1.00 0.00 H new ATOM 1068 N ARG B 65 29.480 -25.123 22.246 1.00 0.00 N ATOM 1069 CA ARG B 65 30.751 -25.903 22.264 1.00 0.00 C ATOM 1070 C ARG B 65 31.471 -25.735 20.923 1.00 0.00 C ATOM 1071 O ARG B 65 30.943 -26.065 19.879 1.00 0.00 O ATOM 1072 CB ARG B 65 30.435 -27.386 22.491 1.00 0.00 C ATOM 1073 CG ARG B 65 31.725 -28.161 22.832 1.00 0.00 C ATOM 1074 CD ARG B 65 31.986 -28.116 24.342 1.00 0.00 C ATOM 1075 NE ARG B 65 30.943 -28.913 25.049 1.00 0.00 N ATOM 1076 CZ ARG B 65 31.119 -29.264 26.293 1.00 0.00 C ATOM 1077 NH1 ARG B 65 32.207 -28.910 26.922 1.00 0.00 N ATOM 1078 NH2 ARG B 65 30.207 -29.966 26.909 1.00 0.00 N ATOM 0 H ARG B 65 29.136 -24.874 21.319 1.00 0.00 H new ATOM 0 HA ARG B 65 31.390 -25.539 23.068 1.00 0.00 H new ATOM 0 HB2 ARG B 65 29.714 -27.491 23.302 1.00 0.00 H new ATOM 0 HB3 ARG B 65 29.974 -27.808 21.598 1.00 0.00 H new ATOM 0 HG2 ARG B 65 31.634 -29.196 22.502 1.00 0.00 H new ATOM 0 HG3 ARG B 65 32.570 -27.729 22.296 1.00 0.00 H new ATOM 0 HD2 ARG B 65 32.976 -28.515 24.563 1.00 0.00 H new ATOM 0 HD3 ARG B 65 31.972 -27.085 24.694 1.00 0.00 H new ATOM 0 HE ARG B 65 30.090 -29.184 24.559 1.00 0.00 H new ATOM 0 HH11 ARG B 65 32.918 -28.360 26.441 1.00 0.00 H new ATOM 0 HH12 ARG B 65 32.346 -29.184 27.895 1.00 0.00 H new ATOM 0 HH21 ARG B 65 29.356 -30.240 26.418 1.00 0.00 H new ATOM 0 HH22 ARG B 65 30.345 -30.240 27.882 1.00 0.00 H new ATOM 1092 N GLY B 66 32.672 -25.227 20.946 1.00 0.00 N ATOM 1093 CA GLY B 66 33.424 -25.040 19.673 1.00 0.00 C ATOM 1094 C GLY B 66 33.981 -26.385 19.207 1.00 0.00 C ATOM 1095 O GLY B 66 33.852 -27.389 19.880 1.00 0.00 O ATOM 0 H GLY B 66 33.165 -24.934 21.790 1.00 0.00 H new ATOM 0 HA2 GLY B 66 32.768 -24.622 18.909 1.00 0.00 H new ATOM 0 HA3 GLY B 66 34.237 -24.329 19.820 1.00 0.00 H new ATOM 1099 N THR B 67 34.601 -26.416 18.058 1.00 0.00 N ATOM 1100 CA THR B 67 35.166 -27.698 17.550 1.00 0.00 C ATOM 1101 C THR B 67 36.463 -28.016 18.297 1.00 0.00 C ATOM 1102 O THR B 67 37.106 -27.084 18.750 1.00 0.00 O ATOM 1103 CB THR B 67 35.457 -27.568 16.053 1.00 0.00 C ATOM 1104 OG1 THR B 67 36.204 -28.696 15.619 1.00 0.00 O ATOM 1105 CG2 THR B 67 36.261 -26.293 15.795 1.00 0.00 C ATOM 1106 OXT THR B 67 36.790 -29.187 18.402 1.00 0.00 O ATOM 0 H THR B 67 34.740 -25.609 17.450 1.00 0.00 H new ATOM 0 HA THR B 67 34.448 -28.502 17.712 1.00 0.00 H new ATOM 0 HB THR B 67 34.517 -27.519 15.503 1.00 0.00 H new ATOM 0 HG1 THR B 67 36.390 -28.616 14.660 1.00 0.00 H new ATOM 0 HG21 THR B 67 36.467 -26.202 14.729 1.00 0.00 H new ATOM 0 HG22 THR B 67 35.688 -25.428 16.129 1.00 0.00 H new ATOM 0 HG23 THR B 67 37.202 -26.339 16.344 1.00 0.00 H new TER 1114 THR B 67