USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 794 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 Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.0009) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -87:sc= 0.362 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 26 ASN : amide:sc= -0.0266 K(o=-0.027,f=-2.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : +bothHN:sc= -0.132 K(o=-0.13,f=-5.4!) USER MOD Single : A 45 THR OG1 : rot 74:sc= 0.236 USER MOD Single : B 1 ASP N :NH3+ -176:sc=-0.00288 (180deg=-0.0476) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 TYR OH : rot -155:sc= 1.15 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -82:sc= 0.216 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.18) USER MOD Single : B 39 HIS : +bothHN:sc= 0.288 K(o=0.29,f=-4.5) USER MOD Single : B 45 THR OG1 : rot 70:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 2 3.393 10.221 -10.311 1.00 0.00 N ATOM 20 CA TYR A 2 3.036 9.072 -9.474 1.00 0.00 C ATOM 21 C TYR A 2 2.018 8.140 -10.142 1.00 0.00 C ATOM 22 O TYR A 2 2.151 6.930 -10.051 1.00 0.00 O ATOM 23 CB TYR A 2 2.549 9.524 -8.090 1.00 0.00 C ATOM 24 CG TYR A 2 1.114 10.013 -7.989 1.00 0.00 C ATOM 25 CD1 TYR A 2 0.773 11.328 -8.364 1.00 0.00 C ATOM 26 CD2 TYR A 2 0.118 9.147 -7.491 1.00 0.00 C ATOM 27 CE1 TYR A 2 -0.561 11.769 -8.262 1.00 0.00 C ATOM 28 CE2 TYR A 2 -1.214 9.587 -7.379 1.00 0.00 C ATOM 29 CZ TYR A 2 -1.561 10.896 -7.776 1.00 0.00 C ATOM 30 OH TYR A 2 -2.858 11.298 -7.709 1.00 0.00 O ATOM 0 HA TYR A 2 3.948 8.490 -9.344 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.672 8.690 -7.399 1.00 0.00 H new ATOM 0 HB3 TYR A 2 3.204 10.324 -7.745 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.536 11.999 -8.730 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.379 8.142 -7.194 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.820 12.776 -8.556 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -1.971 8.923 -6.989 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.408 10.570 -7.352 1.00 0.00 H new ATOM 40 N LEU A 3 1.044 8.679 -10.877 1.00 0.00 N ATOM 41 CA LEU A 3 0.013 7.896 -11.585 1.00 0.00 C ATOM 42 C LEU A 3 0.597 7.019 -12.697 1.00 0.00 C ATOM 43 O LEU A 3 0.139 5.891 -12.903 1.00 0.00 O ATOM 44 CB LEU A 3 -1.066 8.819 -12.177 1.00 0.00 C ATOM 45 CG LEU A 3 -1.890 9.541 -11.106 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.803 10.575 -11.761 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.766 8.582 -10.288 1.00 0.00 C ATOM 0 H LEU A 3 0.942 9.686 -11.003 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.434 7.237 -10.840 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.590 9.558 -12.821 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.734 8.231 -12.806 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.176 10.015 -10.432 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.386 11.084 -10.993 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.199 11.304 -12.301 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.477 10.076 -12.457 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.328 9.147 -9.544 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.460 8.067 -10.952 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.133 7.850 -9.786 1.00 0.00 H new ATOM 59 N ARG A 4 1.642 7.508 -13.374 1.00 0.00 N ATOM 60 CA ARG A 4 2.444 6.667 -14.275 1.00 0.00 C ATOM 61 C ARG A 4 3.216 5.616 -13.488 1.00 0.00 C ATOM 62 O ARG A 4 3.184 4.462 -13.882 1.00 0.00 O ATOM 63 CB ARG A 4 3.376 7.495 -15.176 1.00 0.00 C ATOM 64 CG ARG A 4 4.114 6.570 -16.164 1.00 0.00 C ATOM 65 CD ARG A 4 4.989 7.337 -17.157 1.00 0.00 C ATOM 66 NE ARG A 4 5.729 6.395 -18.022 1.00 0.00 N ATOM 67 CZ ARG A 4 6.682 6.691 -18.889 1.00 0.00 C ATOM 68 NH1 ARG A 4 7.066 7.918 -19.106 1.00 0.00 N ATOM 69 NH2 ARG A 4 7.274 5.746 -19.561 1.00 0.00 N ATOM 0 H ARG A 4 1.953 8.478 -13.317 1.00 0.00 H new ATOM 0 HA ARG A 4 1.750 6.153 -14.940 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.798 8.239 -15.724 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.097 8.038 -14.565 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.735 5.871 -15.604 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.383 5.977 -16.714 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.369 7.992 -17.768 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.690 7.974 -16.618 1.00 0.00 H new ATOM 0 HE ARG A 4 5.477 5.410 -17.941 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.628 8.687 -18.599 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.805 8.109 -19.783 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.003 4.773 -19.419 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.009 5.979 -20.229 1.00 0.00 H new ATOM 83 N GLU A 5 3.864 5.966 -12.379 1.00 0.00 N ATOM 84 CA GLU A 5 4.591 4.981 -11.549 1.00 0.00 C ATOM 85 C GLU A 5 3.676 3.872 -10.971 1.00 0.00 C ATOM 86 O GLU A 5 4.060 2.703 -10.915 1.00 0.00 O ATOM 87 CB GLU A 5 5.359 5.732 -10.454 1.00 0.00 C ATOM 88 CG GLU A 5 6.198 4.846 -9.523 1.00 0.00 C ATOM 89 CD GLU A 5 7.298 4.020 -10.230 1.00 0.00 C ATOM 90 OE1 GLU A 5 7.813 4.437 -11.296 1.00 0.00 O ATOM 91 OE2 GLU A 5 7.688 2.954 -9.693 1.00 0.00 O ATOM 0 H GLU A 5 3.906 6.922 -12.026 1.00 0.00 H new ATOM 0 HA GLU A 5 5.296 4.448 -12.187 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.017 6.460 -10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.645 6.293 -9.851 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.666 5.478 -8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.531 4.162 -8.997 1.00 0.00 H new ATOM 98 N LEU A 6 2.443 4.233 -10.603 1.00 0.00 N ATOM 99 CA LEU A 6 1.330 3.367 -10.196 1.00 0.00 C ATOM 100 C LEU A 6 0.973 2.345 -11.293 1.00 0.00 C ATOM 101 O LEU A 6 1.042 1.131 -11.079 1.00 0.00 O ATOM 102 CB LEU A 6 0.114 4.290 -9.922 1.00 0.00 C ATOM 103 CG LEU A 6 -0.217 4.704 -8.477 1.00 0.00 C ATOM 104 CD1 LEU A 6 -0.910 3.548 -7.781 1.00 0.00 C ATOM 105 CD2 LEU A 6 0.955 5.150 -7.598 1.00 0.00 C ATOM 0 H LEU A 6 2.175 5.217 -10.580 1.00 0.00 H new ATOM 0 HA LEU A 6 1.611 2.798 -9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.262 5.204 -10.497 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.768 3.797 -10.330 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.843 5.589 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.149 3.831 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.829 3.301 -8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.251 2.680 -7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.586 5.414 -6.607 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.676 4.337 -7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.438 6.017 -8.048 1.00 0.00 H new ATOM 117 N LEU A 7 0.567 2.844 -12.467 1.00 0.00 N ATOM 118 CA LEU A 7 0.098 2.038 -13.594 1.00 0.00 C ATOM 119 C LEU A 7 1.219 1.289 -14.317 1.00 0.00 C ATOM 120 O LEU A 7 0.989 0.155 -14.744 1.00 0.00 O ATOM 121 CB LEU A 7 -0.650 2.939 -14.585 1.00 0.00 C ATOM 122 CG LEU A 7 -2.053 3.327 -14.089 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.608 4.425 -14.988 1.00 0.00 C ATOM 124 CD2 LEU A 7 -3.010 2.132 -14.146 1.00 0.00 C ATOM 0 H LEU A 7 0.556 3.845 -12.661 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.566 1.276 -13.185 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.067 3.844 -14.759 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.736 2.426 -15.543 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.970 3.666 -13.056 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.603 4.708 -14.645 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.951 5.294 -14.950 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.668 4.060 -16.013 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.994 2.437 -13.789 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.090 1.779 -15.174 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.628 1.329 -13.515 1.00 0.00 H new ATOM 136 N LYS A 8 2.441 1.843 -14.395 1.00 0.00 N ATOM 137 CA LYS A 8 3.671 1.088 -14.673 1.00 0.00 C ATOM 138 C LYS A 8 4.046 0.084 -13.557 1.00 0.00 C ATOM 139 O LYS A 8 5.168 0.069 -13.042 1.00 0.00 O ATOM 140 CB LYS A 8 4.783 2.099 -14.950 1.00 0.00 C ATOM 141 CG LYS A 8 5.995 1.426 -15.597 1.00 0.00 C ATOM 142 CD LYS A 8 7.277 2.045 -15.039 1.00 0.00 C ATOM 143 CE LYS A 8 8.448 1.263 -15.608 1.00 0.00 C ATOM 144 NZ LYS A 8 8.770 0.048 -14.804 1.00 0.00 N ATOM 0 H LYS A 8 2.602 2.842 -14.265 1.00 0.00 H new ATOM 0 HA LYS A 8 3.511 0.457 -15.547 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.408 2.885 -15.605 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.084 2.577 -14.018 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.979 0.354 -15.398 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.959 1.550 -16.679 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.347 3.097 -15.317 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.281 2.002 -13.950 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.219 0.967 -16.632 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.325 1.909 -15.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.576 -0.450 -15.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.015 0.329 -13.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.944 -0.584 -14.783 1.00 0.00 H new ATOM 158 N GLY A 9 3.104 -0.778 -13.188 1.00 0.00 N ATOM 159 CA GLY A 9 3.380 -1.910 -12.310 1.00 0.00 C ATOM 160 C GLY A 9 2.342 -2.999 -12.091 1.00 0.00 C ATOM 161 O GLY A 9 2.702 -4.174 -12.087 1.00 0.00 O ATOM 0 H GLY A 9 2.131 -0.712 -13.488 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.279 -2.397 -12.688 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.627 -1.502 -11.330 1.00 0.00 H new ATOM 165 N GLU A 10 1.066 -2.671 -11.925 1.00 0.00 N ATOM 166 CA GLU A 10 0.052 -3.713 -11.639 1.00 0.00 C ATOM 167 C GLU A 10 -0.158 -4.717 -12.795 1.00 0.00 C ATOM 168 O GLU A 10 -0.564 -5.853 -12.542 1.00 0.00 O ATOM 169 CB GLU A 10 -1.276 -3.086 -11.147 1.00 0.00 C ATOM 170 CG GLU A 10 -1.350 -2.884 -9.614 1.00 0.00 C ATOM 171 CD GLU A 10 -2.681 -3.318 -8.976 1.00 0.00 C ATOM 172 OE1 GLU A 10 -3.318 -4.338 -9.275 1.00 0.00 O ATOM 173 OE2 GLU A 10 -3.081 -3.037 -7.832 1.00 0.00 O ATOM 0 H GLU A 10 0.702 -1.720 -11.979 1.00 0.00 H new ATOM 0 HA GLU A 10 0.456 -4.313 -10.824 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.413 -2.122 -11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.104 -3.723 -11.459 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.539 -3.443 -9.147 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.181 -1.831 -9.391 1.00 0.00 H new ATOM 180 N LEU A 11 0.218 -4.381 -14.039 1.00 0.00 N ATOM 181 CA LEU A 11 0.247 -5.329 -15.162 1.00 0.00 C ATOM 182 C LEU A 11 1.356 -6.388 -15.014 1.00 0.00 C ATOM 183 O LEU A 11 1.205 -7.529 -15.450 1.00 0.00 O ATOM 184 CB LEU A 11 0.339 -4.451 -16.437 1.00 0.00 C ATOM 185 CG LEU A 11 1.188 -4.983 -17.596 1.00 0.00 C ATOM 186 CD1 LEU A 11 0.509 -6.125 -18.355 1.00 0.00 C ATOM 187 CD2 LEU A 11 1.474 -3.863 -18.599 1.00 0.00 C ATOM 0 H LEU A 11 0.512 -3.438 -14.295 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.650 -5.947 -15.207 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.673 -4.287 -16.808 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.734 -3.477 -16.148 1.00 0.00 H new ATOM 0 HG LEU A 11 2.107 -5.360 -17.148 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.158 -6.460 -19.164 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.321 -6.954 -17.673 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.436 -5.775 -18.769 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.078 -4.253 -19.418 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.533 -3.479 -18.993 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.015 -3.058 -18.101 1.00 0.00 H new ATOM 199 N GLN A 12 2.444 -6.043 -14.331 1.00 0.00 N ATOM 200 CA GLN A 12 3.611 -6.889 -14.112 1.00 0.00 C ATOM 201 C GLN A 12 3.348 -8.038 -13.117 1.00 0.00 C ATOM 202 O GLN A 12 4.179 -8.937 -12.981 1.00 0.00 O ATOM 203 CB GLN A 12 4.807 -5.998 -13.706 1.00 0.00 C ATOM 204 CG GLN A 12 5.976 -6.182 -14.689 1.00 0.00 C ATOM 205 CD GLN A 12 7.187 -5.319 -14.333 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.108 -4.106 -14.176 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.361 -5.903 -14.204 1.00 0.00 N ATOM 0 H GLN A 12 2.539 -5.125 -13.896 1.00 0.00 H new ATOM 0 HA GLN A 12 3.854 -7.397 -15.046 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.500 -4.952 -13.689 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.130 -6.251 -12.696 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.273 -7.231 -14.702 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.641 -5.933 -15.696 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.446 -6.912 -14.331 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.185 -5.347 -13.977 1.00 0.00 H new ATOM 216 N GLY A 13 2.178 -8.042 -12.461 1.00 0.00 N ATOM 217 CA GLY A 13 1.704 -9.146 -11.623 1.00 0.00 C ATOM 218 C GLY A 13 0.816 -10.126 -12.392 1.00 0.00 C ATOM 219 O GLY A 13 0.894 -11.331 -12.137 1.00 0.00 O ATOM 0 H GLY A 13 1.524 -7.260 -12.501 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.561 -9.681 -11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.147 -8.743 -10.777 1.00 0.00 H new ATOM 223 N ILE A 14 0.025 -9.653 -13.373 1.00 0.00 N ATOM 224 CA ILE A 14 -0.960 -10.508 -14.082 1.00 0.00 C ATOM 225 C ILE A 14 -0.315 -11.763 -14.682 1.00 0.00 C ATOM 226 O ILE A 14 -0.829 -12.879 -14.557 1.00 0.00 O ATOM 227 CB ILE A 14 -1.667 -9.710 -15.202 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.285 -8.386 -14.714 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.734 -10.564 -15.907 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.305 -8.531 -13.586 1.00 0.00 C ATOM 0 H ILE A 14 0.045 -8.686 -13.696 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.691 -10.827 -13.338 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.885 -9.450 -15.916 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.483 -7.730 -14.377 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.766 -7.893 -15.559 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.213 -9.975 -16.689 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.263 -11.441 -16.350 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.483 -10.882 -15.182 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.684 -7.547 -13.310 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.131 -9.158 -13.921 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.828 -8.992 -12.721 1.00 0.00 H new ATOM 242 N LYS A 15 0.844 -11.565 -15.314 1.00 0.00 N ATOM 243 CA LYS A 15 1.541 -12.585 -16.100 1.00 0.00 C ATOM 244 C LYS A 15 2.366 -13.567 -15.263 1.00 0.00 C ATOM 245 O LYS A 15 2.741 -14.624 -15.768 1.00 0.00 O ATOM 246 CB LYS A 15 2.364 -11.927 -17.222 1.00 0.00 C ATOM 247 CG LYS A 15 1.435 -11.376 -18.318 1.00 0.00 C ATOM 248 CD LYS A 15 2.222 -10.821 -19.512 1.00 0.00 C ATOM 249 CE LYS A 15 1.251 -10.424 -20.632 1.00 0.00 C ATOM 250 NZ LYS A 15 1.970 -9.914 -21.829 1.00 0.00 N ATOM 0 H LYS A 15 1.335 -10.671 -15.293 1.00 0.00 H new ATOM 0 HA LYS A 15 0.771 -13.207 -16.557 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.970 -11.120 -16.811 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.052 -12.655 -17.652 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.768 -12.167 -18.660 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.808 -10.589 -17.900 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.809 -9.956 -19.203 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.926 -11.570 -19.876 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.646 -11.286 -20.911 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.566 -9.659 -20.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.281 -9.656 -22.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.528 -9.076 -21.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.605 -10.653 -22.194 1.00 0.00 H new ATOM 264 N GLN A 16 2.597 -13.268 -13.981 1.00 0.00 N ATOM 265 CA GLN A 16 3.204 -14.191 -13.025 1.00 0.00 C ATOM 266 C GLN A 16 2.158 -15.043 -12.305 1.00 0.00 C ATOM 267 O GLN A 16 2.393 -16.229 -12.080 1.00 0.00 O ATOM 268 CB GLN A 16 4.044 -13.397 -12.010 1.00 0.00 C ATOM 269 CG GLN A 16 5.503 -13.213 -12.464 1.00 0.00 C ATOM 270 CD GLN A 16 6.402 -14.459 -12.376 1.00 0.00 C ATOM 271 OE1 GLN A 16 7.610 -14.379 -12.570 1.00 0.00 O ATOM 272 NE2 GLN A 16 5.902 -15.650 -12.094 1.00 0.00 N ATOM 0 H GLN A 16 2.363 -12.362 -13.575 1.00 0.00 H new ATOM 0 HA GLN A 16 3.846 -14.877 -13.578 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.590 -12.418 -11.855 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.029 -13.912 -11.049 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.500 -12.865 -13.497 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.952 -12.423 -11.863 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.902 -15.756 -11.926 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.517 -16.462 -12.044 1.00 0.00 H new ATOM 281 N TYR A 17 0.995 -14.473 -11.992 1.00 0.00 N ATOM 282 CA TYR A 17 -0.096 -15.188 -11.331 1.00 0.00 C ATOM 283 C TYR A 17 -0.660 -16.336 -12.171 1.00 0.00 C ATOM 284 O TYR A 17 -0.867 -17.437 -11.654 1.00 0.00 O ATOM 285 CB TYR A 17 -1.213 -14.201 -10.985 1.00 0.00 C ATOM 286 CG TYR A 17 -0.992 -13.434 -9.694 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.759 -14.135 -8.492 1.00 0.00 C ATOM 288 CD2 TYR A 17 -1.043 -12.026 -9.682 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.558 -13.433 -7.289 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.852 -11.321 -8.478 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.612 -12.025 -7.277 1.00 0.00 C ATOM 292 OH TYR A 17 -0.519 -11.358 -6.096 1.00 0.00 O ATOM 0 H TYR A 17 0.782 -13.496 -12.191 1.00 0.00 H new ATOM 0 HA TYR A 17 0.315 -15.636 -10.426 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.319 -13.489 -11.803 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.154 -14.746 -10.913 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.735 -15.215 -8.495 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.229 -11.486 -10.599 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.362 -13.974 -6.375 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.889 -10.242 -8.473 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.572 -10.393 -6.260 1.00 0.00 H new ATOM 302 N ARG A 18 -0.864 -16.108 -13.475 1.00 0.00 N ATOM 303 CA ARG A 18 -1.339 -17.150 -14.400 1.00 0.00 C ATOM 304 C ARG A 18 -0.330 -18.296 -14.585 1.00 0.00 C ATOM 305 O ARG A 18 -0.720 -19.427 -14.874 1.00 0.00 O ATOM 306 CB ARG A 18 -1.751 -16.505 -15.731 1.00 0.00 C ATOM 307 CG ARG A 18 -3.237 -16.096 -15.706 1.00 0.00 C ATOM 308 CD ARG A 18 -3.658 -15.201 -16.880 1.00 0.00 C ATOM 309 NE ARG A 18 -3.505 -15.864 -18.193 1.00 0.00 N ATOM 310 CZ ARG A 18 -3.993 -15.436 -19.346 1.00 0.00 C ATOM 311 NH1 ARG A 18 -4.722 -14.357 -19.437 1.00 0.00 N ATOM 312 NH2 ARG A 18 -3.754 -16.090 -20.448 1.00 0.00 N ATOM 0 H ARG A 18 -0.706 -15.203 -13.918 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.216 -17.623 -13.957 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.131 -15.629 -15.923 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.576 -17.204 -16.549 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.851 -16.996 -15.710 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.444 -15.574 -14.772 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.698 -14.903 -16.748 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.061 -14.289 -16.867 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.973 -16.734 -18.212 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.933 -13.812 -18.601 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.080 -14.059 -20.344 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.187 -16.938 -20.425 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.134 -15.754 -21.333 1.00 0.00 H new ATOM 326 N GLU A 19 0.955 -18.015 -14.368 1.00 0.00 N ATOM 327 CA GLU A 19 2.058 -18.989 -14.368 1.00 0.00 C ATOM 328 C GLU A 19 2.140 -19.795 -13.052 1.00 0.00 C ATOM 329 O GLU A 19 2.522 -20.963 -13.052 1.00 0.00 O ATOM 330 CB GLU A 19 3.372 -18.217 -14.586 1.00 0.00 C ATOM 331 CG GLU A 19 4.323 -18.857 -15.608 1.00 0.00 C ATOM 332 CD GLU A 19 5.029 -20.125 -15.090 1.00 0.00 C ATOM 333 OE1 GLU A 19 5.839 -20.025 -14.136 1.00 0.00 O ATOM 334 OE2 GLU A 19 4.829 -21.215 -15.678 1.00 0.00 O ATOM 0 H GLU A 19 1.274 -17.065 -14.179 1.00 0.00 H new ATOM 0 HA GLU A 19 1.882 -19.710 -15.166 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.134 -17.205 -14.914 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.890 -18.129 -13.631 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.760 -19.107 -16.507 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.077 -18.125 -15.897 1.00 0.00 H new ATOM 341 N ALA A 20 1.773 -19.185 -11.921 1.00 0.00 N ATOM 342 CA ALA A 20 1.912 -19.756 -10.578 1.00 0.00 C ATOM 343 C ALA A 20 0.816 -20.773 -10.214 1.00 0.00 C ATOM 344 O ALA A 20 1.069 -21.694 -9.431 1.00 0.00 O ATOM 345 CB ALA A 20 1.950 -18.603 -9.568 1.00 0.00 C ATOM 0 H ALA A 20 1.359 -18.253 -11.915 1.00 0.00 H new ATOM 0 HA ALA A 20 2.840 -20.326 -10.553 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.053 -19.005 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.798 -17.954 -9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.026 -18.029 -9.637 1.00 0.00 H new ATOM 351 N LEU A 21 -0.379 -20.674 -10.814 1.00 0.00 N ATOM 352 CA LEU A 21 -1.431 -21.691 -10.673 1.00 0.00 C ATOM 353 C LEU A 21 -0.950 -23.076 -11.121 1.00 0.00 C ATOM 354 O LEU A 21 -1.364 -24.078 -10.547 1.00 0.00 O ATOM 355 CB LEU A 21 -2.709 -21.221 -11.389 1.00 0.00 C ATOM 356 CG LEU A 21 -3.917 -22.179 -11.322 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.219 -21.379 -11.408 1.00 0.00 C ATOM 358 CD2 LEU A 21 -3.947 -23.184 -12.481 1.00 0.00 C ATOM 0 H LEU A 21 -0.643 -19.889 -11.409 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.677 -21.807 -9.617 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.007 -20.263 -10.964 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.469 -21.044 -12.438 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.821 -22.718 -10.379 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.068 -22.060 -11.360 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.270 -20.677 -10.576 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.247 -20.830 -12.349 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.819 -23.830 -12.380 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.002 -22.646 -13.428 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.041 -23.790 -12.460 1.00 0.00 H new ATOM 370 N GLU A 22 -0.019 -23.155 -12.070 1.00 0.00 N ATOM 371 CA GLU A 22 0.530 -24.445 -12.525 1.00 0.00 C ATOM 372 C GLU A 22 1.283 -25.240 -11.442 1.00 0.00 C ATOM 373 O GLU A 22 1.382 -26.465 -11.533 1.00 0.00 O ATOM 374 CB GLU A 22 1.464 -24.224 -13.718 1.00 0.00 C ATOM 375 CG GLU A 22 0.782 -24.660 -15.022 1.00 0.00 C ATOM 376 CD GLU A 22 1.681 -24.429 -16.252 1.00 0.00 C ATOM 377 OE1 GLU A 22 2.625 -25.226 -16.478 1.00 0.00 O ATOM 378 OE2 GLU A 22 1.417 -23.479 -17.031 1.00 0.00 O ATOM 0 H GLU A 22 0.376 -22.343 -12.544 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.336 -25.045 -12.803 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.742 -23.172 -13.780 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.385 -24.789 -13.576 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.520 -25.716 -14.958 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.150 -24.108 -15.146 1.00 0.00 H new ATOM 385 N TYR A 23 1.787 -24.553 -10.414 1.00 0.00 N ATOM 386 CA TYR A 23 2.603 -25.118 -9.333 1.00 0.00 C ATOM 387 C TYR A 23 1.801 -25.305 -8.029 1.00 0.00 C ATOM 388 O TYR A 23 2.354 -25.752 -7.020 1.00 0.00 O ATOM 389 CB TYR A 23 3.837 -24.216 -9.133 1.00 0.00 C ATOM 390 CG TYR A 23 4.940 -24.450 -10.155 1.00 0.00 C ATOM 391 CD1 TYR A 23 4.810 -23.972 -11.477 1.00 0.00 C ATOM 392 CD2 TYR A 23 6.098 -25.164 -9.780 1.00 0.00 C ATOM 393 CE1 TYR A 23 5.820 -24.227 -12.428 1.00 0.00 C ATOM 394 CE2 TYR A 23 7.115 -25.410 -10.724 1.00 0.00 C ATOM 395 CZ TYR A 23 6.977 -24.951 -12.053 1.00 0.00 C ATOM 396 OH TYR A 23 7.960 -25.213 -12.961 1.00 0.00 O ATOM 0 H TYR A 23 1.633 -23.550 -10.306 1.00 0.00 H new ATOM 0 HA TYR A 23 2.928 -26.120 -9.615 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.525 -23.173 -9.181 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.239 -24.382 -8.134 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.934 -23.409 -11.761 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.205 -25.523 -8.767 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.711 -23.870 -13.441 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.003 -25.951 -10.431 1.00 0.00 H new ATOM 0 HH TYR A 23 8.679 -25.719 -12.528 1.00 0.00 H new ATOM 406 N THR A 24 0.504 -24.971 -8.036 1.00 0.00 N ATOM 407 CA THR A 24 -0.328 -24.853 -6.822 1.00 0.00 C ATOM 408 C THR A 24 -1.755 -25.387 -7.012 1.00 0.00 C ATOM 409 O THR A 24 -2.277 -26.097 -6.151 1.00 0.00 O ATOM 410 CB THR A 24 -0.388 -23.373 -6.389 1.00 0.00 C ATOM 411 OG1 THR A 24 -0.950 -22.604 -7.425 1.00 0.00 O ATOM 412 CG2 THR A 24 0.973 -22.730 -6.104 1.00 0.00 C ATOM 0 H THR A 24 -0.008 -24.771 -8.895 1.00 0.00 H new ATOM 0 HA THR A 24 0.140 -25.467 -6.053 1.00 0.00 H new ATOM 0 HB THR A 24 -0.973 -23.381 -5.469 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.246 -22.333 -8.050 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.830 -21.691 -5.807 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.470 -23.272 -5.299 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.589 -22.769 -7.002 1.00 0.00 H new ATOM 420 N HIS A 25 -2.361 -25.124 -8.175 1.00 0.00 N ATOM 421 CA HIS A 25 -3.744 -25.441 -8.566 1.00 0.00 C ATOM 422 C HIS A 25 -4.791 -25.115 -7.479 1.00 0.00 C ATOM 423 O HIS A 25 -5.631 -25.952 -7.126 1.00 0.00 O ATOM 424 CB HIS A 25 -3.833 -26.881 -9.100 1.00 0.00 C ATOM 425 CG HIS A 25 -3.143 -27.047 -10.427 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.740 -26.969 -11.674 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.809 -27.265 -10.614 1.00 0.00 C ATOM 428 CE1 HIS A 25 -2.780 -27.142 -12.604 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.598 -27.338 -11.980 1.00 0.00 N ATOM 0 H HIS A 25 -1.862 -24.648 -8.926 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.012 -24.772 -9.384 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.388 -27.562 -8.375 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.881 -27.164 -9.201 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.060 -27.362 -9.842 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.931 -27.126 -13.673 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.703 -27.510 -12.437 1.00 0.00 H new ATOM 438 N ASN A 26 -4.731 -23.895 -6.932 1.00 0.00 N ATOM 439 CA ASN A 26 -5.602 -23.427 -5.844 1.00 0.00 C ATOM 440 C ASN A 26 -6.674 -22.421 -6.324 1.00 0.00 C ATOM 441 O ASN A 26 -6.409 -21.628 -7.231 1.00 0.00 O ATOM 442 CB ASN A 26 -4.698 -22.878 -4.721 1.00 0.00 C ATOM 443 CG ASN A 26 -4.042 -23.982 -3.905 1.00 0.00 C ATOM 444 OD1 ASN A 26 -2.843 -24.191 -3.958 1.00 0.00 O ATOM 445 ND2 ASN A 26 -4.792 -24.716 -3.113 1.00 0.00 N ATOM 0 H ASN A 26 -4.062 -23.189 -7.239 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.189 -24.259 -5.454 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.925 -22.246 -5.158 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.290 -22.245 -4.060 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.369 -25.453 -2.549 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.797 -24.548 -3.062 1.00 0.00 H new ATOM 452 N PRO A 27 -7.865 -22.376 -5.684 1.00 0.00 N ATOM 453 CA PRO A 27 -8.977 -21.480 -6.051 1.00 0.00 C ATOM 454 C PRO A 27 -8.743 -20.015 -5.634 1.00 0.00 C ATOM 455 O PRO A 27 -9.682 -19.214 -5.569 1.00 0.00 O ATOM 456 CB PRO A 27 -10.201 -22.079 -5.340 1.00 0.00 C ATOM 457 CG PRO A 27 -9.601 -22.643 -4.056 1.00 0.00 C ATOM 458 CD PRO A 27 -8.262 -23.197 -4.539 1.00 0.00 C ATOM 0 HA PRO A 27 -9.098 -21.428 -7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.960 -21.324 -5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.678 -22.855 -5.939 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.472 -21.873 -3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.229 -23.420 -3.620 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.513 -23.149 -3.748 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.356 -24.244 -4.826 1.00 0.00 H new ATOM 466 N VAL A 28 -7.492 -19.659 -5.319 1.00 0.00 N ATOM 467 CA VAL A 28 -7.135 -18.411 -4.646 1.00 0.00 C ATOM 468 C VAL A 28 -6.488 -17.465 -5.644 1.00 0.00 C ATOM 469 O VAL A 28 -6.791 -16.275 -5.666 1.00 0.00 O ATOM 470 CB VAL A 28 -6.206 -18.715 -3.463 1.00 0.00 C ATOM 471 CG1 VAL A 28 -6.031 -17.458 -2.635 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.734 -19.804 -2.515 1.00 0.00 C ATOM 0 H VAL A 28 -6.685 -20.245 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.028 -17.924 -4.253 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.274 -19.072 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.372 -17.666 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.594 -16.674 -3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.002 -17.129 -2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.020 -19.960 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.692 -19.491 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.865 -20.735 -3.067 1.00 0.00 H new ATOM 482 N LEU A 29 -5.689 -18.000 -6.567 1.00 0.00 N ATOM 483 CA LEU A 29 -5.171 -17.262 -7.714 1.00 0.00 C ATOM 484 C LEU A 29 -6.323 -16.757 -8.606 1.00 0.00 C ATOM 485 O LEU A 29 -6.289 -15.616 -9.070 1.00 0.00 O ATOM 486 CB LEU A 29 -4.180 -18.173 -8.456 1.00 0.00 C ATOM 487 CG LEU A 29 -3.067 -18.753 -7.549 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.253 -20.253 -7.338 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.689 -18.516 -8.161 1.00 0.00 C ATOM 0 H LEU A 29 -5.380 -18.972 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.639 -16.366 -7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.729 -18.996 -8.913 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.719 -17.609 -9.266 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.137 -18.241 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.457 -20.632 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.218 -20.437 -6.865 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.218 -20.763 -8.301 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.924 -18.932 -7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.635 -19.001 -9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.523 -17.445 -8.279 1.00 0.00 H new ATOM 501 N ALA A 30 -7.406 -17.544 -8.709 1.00 0.00 N ATOM 502 CA ALA A 30 -8.700 -17.183 -9.308 1.00 0.00 C ATOM 503 C ALA A 30 -9.495 -16.085 -8.552 1.00 0.00 C ATOM 504 O ALA A 30 -10.644 -15.801 -8.897 1.00 0.00 O ATOM 505 CB ALA A 30 -9.521 -18.476 -9.439 1.00 0.00 C ATOM 0 H ALA A 30 -7.402 -18.501 -8.357 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.500 -16.728 -10.278 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.491 -18.248 -9.881 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.989 -19.182 -10.076 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.666 -18.916 -8.453 1.00 0.00 H new ATOM 511 N LYS A 31 -8.894 -15.457 -7.532 1.00 0.00 N ATOM 512 CA LYS A 31 -9.428 -14.355 -6.724 1.00 0.00 C ATOM 513 C LYS A 31 -8.412 -13.217 -6.610 1.00 0.00 C ATOM 514 O LYS A 31 -8.763 -12.059 -6.818 1.00 0.00 O ATOM 515 CB LYS A 31 -9.840 -14.921 -5.344 1.00 0.00 C ATOM 516 CG LYS A 31 -11.059 -14.217 -4.726 1.00 0.00 C ATOM 517 CD LYS A 31 -11.426 -14.891 -3.390 1.00 0.00 C ATOM 518 CE LYS A 31 -12.767 -14.359 -2.865 1.00 0.00 C ATOM 519 NZ LYS A 31 -13.161 -15.031 -1.596 1.00 0.00 N ATOM 0 H LYS A 31 -7.957 -15.725 -7.230 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.307 -13.925 -7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.059 -15.984 -5.448 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.996 -14.835 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.838 -13.162 -4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.905 -14.264 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.485 -15.971 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.642 -14.705 -2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.694 -13.284 -2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.541 -14.515 -3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.071 -14.648 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.254 -16.054 -1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.434 -14.861 -0.873 1.00 0.00 H new ATOM 533 N ILE A 32 -7.137 -13.560 -6.406 1.00 0.00 N ATOM 534 CA ILE A 32 -6.012 -12.617 -6.377 1.00 0.00 C ATOM 535 C ILE A 32 -5.849 -11.928 -7.730 1.00 0.00 C ATOM 536 O ILE A 32 -6.071 -10.722 -7.832 1.00 0.00 O ATOM 537 CB ILE A 32 -4.696 -13.306 -5.948 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.728 -13.981 -4.559 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.580 -12.251 -5.921 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.706 -15.127 -4.478 1.00 0.00 C ATOM 0 H ILE A 32 -6.850 -14.527 -6.252 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.240 -11.858 -5.628 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.530 -14.099 -6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.513 -13.242 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.728 -14.367 -4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.643 -12.720 -5.620 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.466 -11.817 -6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.838 -11.467 -5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.750 -15.584 -3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.938 -15.876 -5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.704 -14.734 -4.652 1.00 0.00 H new ATOM 552 N LEU A 33 -5.502 -12.673 -8.785 1.00 0.00 N ATOM 553 CA LEU A 33 -5.259 -12.076 -10.098 1.00 0.00 C ATOM 554 C LEU A 33 -6.577 -11.643 -10.746 1.00 0.00 C ATOM 555 O LEU A 33 -6.581 -10.736 -11.571 1.00 0.00 O ATOM 556 CB LEU A 33 -4.390 -13.025 -10.950 1.00 0.00 C ATOM 557 CG LEU A 33 -5.142 -13.893 -11.975 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.100 -13.289 -13.381 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.593 -15.317 -12.073 1.00 0.00 C ATOM 0 H LEU A 33 -5.384 -13.686 -8.754 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.683 -11.156 -10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.650 -12.427 -11.483 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.842 -13.685 -10.278 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.166 -13.925 -11.604 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.643 -13.935 -14.071 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.563 -12.302 -13.367 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.064 -13.199 -13.708 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.165 -15.878 -12.812 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.546 -15.283 -12.374 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.676 -15.806 -11.103 1.00 0.00 H new ATOM 571 N GLU A 34 -7.700 -12.250 -10.338 1.00 0.00 N ATOM 572 CA GLU A 34 -9.024 -11.805 -10.763 1.00 0.00 C ATOM 573 C GLU A 34 -9.278 -10.357 -10.320 1.00 0.00 C ATOM 574 O GLU A 34 -9.816 -9.568 -11.098 1.00 0.00 O ATOM 575 CB GLU A 34 -10.115 -12.770 -10.277 1.00 0.00 C ATOM 576 CG GLU A 34 -11.477 -12.432 -10.902 1.00 0.00 C ATOM 577 CD GLU A 34 -12.549 -13.492 -10.580 1.00 0.00 C ATOM 578 OE1 GLU A 34 -13.261 -13.348 -9.555 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.729 -14.439 -11.386 1.00 0.00 O ATOM 0 H GLU A 34 -7.712 -13.054 -9.711 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.062 -11.817 -11.852 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.839 -13.793 -10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.189 -12.722 -9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.810 -11.460 -10.538 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.367 -12.347 -11.983 1.00 0.00 H new ATOM 586 N ASP A 35 -8.820 -9.961 -9.124 1.00 0.00 N ATOM 587 CA ASP A 35 -8.800 -8.553 -8.736 1.00 0.00 C ATOM 588 C ASP A 35 -7.752 -7.722 -9.467 1.00 0.00 C ATOM 589 O ASP A 35 -8.105 -6.673 -10.005 1.00 0.00 O ATOM 590 CB ASP A 35 -8.583 -8.430 -7.230 1.00 0.00 C ATOM 591 CG ASP A 35 -9.693 -8.999 -6.335 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.881 -9.013 -6.750 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.349 -9.369 -5.185 1.00 0.00 O ATOM 0 H ASP A 35 -8.460 -10.598 -8.413 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.771 -8.150 -9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.649 -8.931 -6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.455 -7.375 -6.988 1.00 0.00 H new ATOM 598 N GLU A 36 -6.493 -8.164 -9.558 1.00 0.00 N ATOM 599 CA GLU A 36 -5.472 -7.401 -10.286 1.00 0.00 C ATOM 600 C GLU A 36 -5.857 -7.107 -11.750 1.00 0.00 C ATOM 601 O GLU A 36 -5.443 -6.089 -12.306 1.00 0.00 O ATOM 602 CB GLU A 36 -4.121 -8.118 -10.245 1.00 0.00 C ATOM 603 CG GLU A 36 -3.594 -8.548 -8.873 1.00 0.00 C ATOM 604 CD GLU A 36 -3.314 -7.449 -7.856 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.940 -6.361 -7.842 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.465 -7.656 -6.955 1.00 0.00 O ATOM 0 H GLU A 36 -6.159 -9.034 -9.143 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.397 -6.442 -9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.192 -9.006 -10.872 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.378 -7.464 -10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.316 -9.237 -8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.672 -9.108 -9.026 1.00 0.00 H new ATOM 613 N GLU A 37 -6.697 -7.952 -12.362 1.00 0.00 N ATOM 614 CA GLU A 37 -7.131 -7.790 -13.760 1.00 0.00 C ATOM 615 C GLU A 37 -8.022 -6.545 -13.910 1.00 0.00 C ATOM 616 O GLU A 37 -7.953 -5.816 -14.906 1.00 0.00 O ATOM 617 CB GLU A 37 -7.899 -9.045 -14.220 1.00 0.00 C ATOM 618 CG GLU A 37 -8.038 -9.114 -15.751 1.00 0.00 C ATOM 619 CD GLU A 37 -9.313 -9.901 -16.161 1.00 0.00 C ATOM 620 OE1 GLU A 37 -9.270 -11.162 -16.220 1.00 0.00 O ATOM 621 OE2 GLU A 37 -10.356 -9.257 -16.468 1.00 0.00 O ATOM 0 H GLU A 37 -7.097 -8.770 -11.902 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.247 -7.660 -14.385 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.382 -9.936 -13.863 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.890 -9.049 -13.767 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.082 -8.105 -16.161 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.157 -9.594 -16.178 1.00 0.00 H new ATOM 628 N LYS A 38 -8.840 -6.291 -12.880 1.00 0.00 N ATOM 629 CA LYS A 38 -9.719 -5.126 -12.757 1.00 0.00 C ATOM 630 C LYS A 38 -8.944 -3.912 -12.285 1.00 0.00 C ATOM 631 O LYS A 38 -9.113 -2.846 -12.859 1.00 0.00 O ATOM 632 CB LYS A 38 -10.854 -5.437 -11.766 1.00 0.00 C ATOM 633 CG LYS A 38 -11.682 -6.656 -12.198 1.00 0.00 C ATOM 634 CD LYS A 38 -12.800 -7.035 -11.216 1.00 0.00 C ATOM 635 CE LYS A 38 -12.210 -7.518 -9.884 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.227 -8.157 -9.009 1.00 0.00 N ATOM 0 H LYS A 38 -8.908 -6.918 -12.079 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.140 -4.905 -13.738 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.432 -5.618 -10.778 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.507 -4.568 -11.679 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.123 -6.454 -13.174 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.015 -7.510 -12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.446 -6.174 -11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.422 -7.818 -11.650 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.408 -8.229 -10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.764 -6.673 -9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.778 -8.465 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.981 -7.473 -8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.635 -8.981 -9.495 1.00 0.00 H new ATOM 650 N HIS A 39 -8.071 -4.071 -11.286 1.00 0.00 N ATOM 651 CA HIS A 39 -7.369 -3.011 -10.581 1.00 0.00 C ATOM 652 C HIS A 39 -6.693 -1.979 -11.485 1.00 0.00 C ATOM 653 O HIS A 39 -6.883 -0.790 -11.261 1.00 0.00 O ATOM 654 CB HIS A 39 -6.328 -3.682 -9.702 1.00 0.00 C ATOM 655 CG HIS A 39 -6.789 -4.194 -8.372 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.905 -4.389 -7.311 1.00 0.00 N ATOM 657 CD2 HIS A 39 -8.060 -4.497 -7.978 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.681 -4.788 -6.282 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.973 -4.858 -6.650 1.00 0.00 N ATOM 0 H HIS A 39 -7.826 -4.996 -10.933 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.106 -2.444 -10.012 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.903 -4.518 -10.258 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.521 -2.970 -9.530 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.893 -4.259 -7.313 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.953 -4.461 -8.584 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.313 -5.020 -5.293 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.752 -5.131 -6.051 1.00 0.00 H new ATOM 667 N ILE A 40 -5.938 -2.407 -12.504 1.00 0.00 N ATOM 668 CA ILE A 40 -5.232 -1.492 -13.420 1.00 0.00 C ATOM 669 C ILE A 40 -6.233 -0.551 -14.101 1.00 0.00 C ATOM 670 O ILE A 40 -6.084 0.670 -14.066 1.00 0.00 O ATOM 671 CB ILE A 40 -4.447 -2.287 -14.490 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.460 -3.298 -13.874 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.653 -1.346 -15.417 1.00 0.00 C ATOM 674 CD1 ILE A 40 -3.279 -4.532 -14.765 1.00 0.00 C ATOM 0 H ILE A 40 -5.797 -3.394 -12.720 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.525 -0.902 -12.837 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.200 -2.832 -15.059 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.495 -2.816 -13.720 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.821 -3.608 -12.893 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.112 -1.936 -16.157 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.341 -0.669 -15.924 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.943 -0.767 -14.826 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.576 -5.220 -14.295 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.240 -5.029 -14.897 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.892 -4.225 -15.737 1.00 0.00 H new ATOM 686 N GLU A 41 -7.291 -1.125 -14.678 1.00 0.00 N ATOM 687 CA GLU A 41 -8.353 -0.362 -15.327 1.00 0.00 C ATOM 688 C GLU A 41 -9.200 0.427 -14.321 1.00 0.00 C ATOM 689 O GLU A 41 -9.554 1.571 -14.594 1.00 0.00 O ATOM 690 CB GLU A 41 -9.206 -1.285 -16.215 1.00 0.00 C ATOM 691 CG GLU A 41 -9.241 -0.751 -17.653 1.00 0.00 C ATOM 692 CD GLU A 41 -10.014 -1.703 -18.585 1.00 0.00 C ATOM 693 OE1 GLU A 41 -11.259 -1.578 -18.694 1.00 0.00 O ATOM 694 OE2 GLU A 41 -9.381 -2.576 -19.229 1.00 0.00 O ATOM 0 H GLU A 41 -7.433 -2.135 -14.707 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.887 0.385 -15.970 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.795 -2.294 -16.204 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.219 -1.349 -15.818 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.709 0.233 -17.666 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.223 -0.625 -18.021 1.00 0.00 H new ATOM 701 N TRP A 42 -9.445 -0.124 -13.129 1.00 0.00 N ATOM 702 CA TRP A 42 -10.082 0.556 -12.000 1.00 0.00 C ATOM 703 C TRP A 42 -9.354 1.855 -11.583 1.00 0.00 C ATOM 704 O TRP A 42 -10.034 2.845 -11.305 1.00 0.00 O ATOM 705 CB TRP A 42 -10.220 -0.465 -10.855 1.00 0.00 C ATOM 706 CG TRP A 42 -11.406 -1.379 -10.873 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.349 -1.465 -11.839 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.801 -2.339 -9.846 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.322 -2.366 -11.457 1.00 0.00 N ATOM 710 CE2 TRP A 42 -13.037 -2.936 -10.233 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.234 -2.765 -8.623 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.686 -3.895 -9.440 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.864 -3.743 -7.830 1.00 0.00 C ATOM 714 CH2 TRP A 42 -13.092 -4.302 -8.232 1.00 0.00 C ATOM 0 H TRP A 42 -9.196 -1.090 -12.917 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.072 0.905 -12.293 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.322 -1.082 -10.847 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.236 0.086 -9.915 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.342 -0.913 -12.767 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.150 -2.584 -12.011 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.302 -2.333 -8.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.630 -4.315 -9.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.403 -4.066 -6.908 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.577 -5.042 -7.613 1.00 0.00 H new ATOM 725 N LEU A 43 -8.010 1.922 -11.609 1.00 0.00 N ATOM 726 CA LEU A 43 -7.278 3.196 -11.430 1.00 0.00 C ATOM 727 C LEU A 43 -7.472 4.159 -12.619 1.00 0.00 C ATOM 728 O LEU A 43 -7.672 5.359 -12.431 1.00 0.00 O ATOM 729 CB LEU A 43 -5.759 2.991 -11.259 1.00 0.00 C ATOM 730 CG LEU A 43 -5.229 1.954 -10.255 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.718 2.133 -10.130 1.00 0.00 C ATOM 732 CD2 LEU A 43 -5.836 2.034 -8.856 1.00 0.00 C ATOM 0 H LEU A 43 -7.407 1.112 -11.752 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.702 3.625 -10.522 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.355 2.730 -12.237 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.331 3.955 -10.985 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.515 0.980 -10.653 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.323 1.405 -9.421 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.252 1.981 -11.104 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.499 3.140 -9.776 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.397 1.262 -8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.631 3.014 -8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.914 1.883 -8.918 1.00 0.00 H new ATOM 744 N GLU A 44 -7.400 3.647 -13.849 1.00 0.00 N ATOM 745 CA GLU A 44 -7.484 4.420 -15.092 1.00 0.00 C ATOM 746 C GLU A 44 -8.854 5.077 -15.291 1.00 0.00 C ATOM 747 O GLU A 44 -8.940 6.229 -15.717 1.00 0.00 O ATOM 748 CB GLU A 44 -7.172 3.475 -16.263 1.00 0.00 C ATOM 749 CG GLU A 44 -5.918 3.919 -17.020 1.00 0.00 C ATOM 750 CD GLU A 44 -5.618 2.990 -18.211 1.00 0.00 C ATOM 751 OE1 GLU A 44 -6.183 3.211 -19.311 1.00 0.00 O ATOM 752 OE2 GLU A 44 -4.804 2.047 -18.067 1.00 0.00 O ATOM 0 H GLU A 44 -7.277 2.648 -14.014 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.761 5.234 -15.042 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.032 2.461 -15.887 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.021 3.447 -16.946 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.051 4.940 -17.378 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.066 3.928 -16.341 1.00 0.00 H new ATOM 759 N THR A 45 -9.924 4.372 -14.918 1.00 0.00 N ATOM 760 CA THR A 45 -11.300 4.866 -14.850 1.00 0.00 C ATOM 761 C THR A 45 -11.402 6.195 -14.095 1.00 0.00 C ATOM 762 O THR A 45 -12.152 7.080 -14.510 1.00 0.00 O ATOM 763 CB THR A 45 -12.218 3.805 -14.225 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.363 2.702 -15.097 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.631 4.295 -13.905 1.00 0.00 C ATOM 0 H THR A 45 -9.850 3.393 -14.642 1.00 0.00 H new ATOM 0 HA THR A 45 -11.630 5.058 -15.871 1.00 0.00 H new ATOM 0 HB THR A 45 -11.726 3.540 -13.289 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.538 2.173 -15.095 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.208 3.480 -13.467 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.578 5.123 -13.198 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.116 4.632 -14.821 1.00 0.00 H new ATOM 773 N ILE A 46 -10.616 6.367 -13.022 1.00 0.00 N ATOM 774 CA ILE A 46 -10.583 7.629 -12.257 1.00 0.00 C ATOM 775 C ILE A 46 -10.020 8.802 -13.072 1.00 0.00 C ATOM 776 O ILE A 46 -10.606 9.889 -13.087 1.00 0.00 O ATOM 777 CB ILE A 46 -9.811 7.466 -10.925 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.366 6.328 -10.040 1.00 0.00 C ATOM 779 CG2 ILE A 46 -9.791 8.784 -10.133 1.00 0.00 C ATOM 780 CD1 ILE A 46 -11.873 6.402 -9.750 1.00 0.00 C ATOM 0 H ILE A 46 -9.991 5.646 -12.661 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.620 7.870 -12.025 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.792 7.194 -11.199 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.152 5.375 -10.524 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.829 6.332 -9.092 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.242 8.641 -9.202 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.303 9.558 -10.726 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.813 9.089 -9.909 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.164 5.560 -9.122 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.099 7.335 -9.234 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.426 6.364 -10.688 1.00 0.00 H new ATOM 792 N LEU A 47 -8.895 8.585 -13.758 1.00 0.00 N ATOM 793 CA LEU A 47 -8.136 9.635 -14.442 1.00 0.00 C ATOM 794 C LEU A 47 -8.573 9.917 -15.896 1.00 0.00 C ATOM 795 O LEU A 47 -8.135 10.908 -16.484 1.00 0.00 O ATOM 796 CB LEU A 47 -6.619 9.412 -14.259 1.00 0.00 C ATOM 797 CG LEU A 47 -6.013 8.107 -14.811 1.00 0.00 C ATOM 798 CD1 LEU A 47 -5.966 8.047 -16.340 1.00 0.00 C ATOM 799 CD2 LEU A 47 -4.578 7.966 -14.302 1.00 0.00 C ATOM 0 H LEU A 47 -8.479 7.659 -13.855 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.387 10.574 -13.949 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.099 10.247 -14.728 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.400 9.458 -13.192 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.661 7.302 -14.465 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.527 7.100 -16.654 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.977 8.128 -16.739 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.360 8.870 -16.718 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.144 7.044 -14.689 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.986 8.816 -14.641 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.580 7.937 -13.212 1.00 0.00 H new ATOM 811 N GLY A 48 -9.456 9.089 -16.466 1.00 0.00 N ATOM 812 CA GLY A 48 -10.045 9.311 -17.795 1.00 0.00 C ATOM 813 C GLY A 48 -10.974 8.197 -18.304 1.00 0.00 C ATOM 814 O GLY A 48 -11.843 8.445 -19.140 1.00 0.00 O ATOM 0 H GLY A 48 -9.786 8.236 -16.014 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.606 10.245 -17.773 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.236 9.442 -18.514 1.00 0.00 H new ATOM 828 N ASP B 1 11.856 -17.440 -6.481 1.00 0.00 N ATOM 829 CA ASP B 1 12.115 -15.986 -6.456 1.00 0.00 C ATOM 830 C ASP B 1 10.911 -15.124 -6.881 1.00 0.00 C ATOM 831 O ASP B 1 10.739 -13.993 -6.422 1.00 0.00 O ATOM 832 CB ASP B 1 13.313 -15.699 -7.367 1.00 0.00 C ATOM 833 CG ASP B 1 13.845 -14.264 -7.204 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.375 -13.937 -6.114 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.771 -13.476 -8.176 1.00 0.00 O ATOM 0 H1 ASP B 1 12.689 -17.947 -6.119 1.00 0.00 H new ATOM 0 H2 ASP B 1 11.032 -17.656 -5.884 1.00 0.00 H new ATOM 0 H3 ASP B 1 11.665 -17.742 -7.458 1.00 0.00 H new ATOM 0 HA ASP B 1 12.319 -15.709 -5.422 1.00 0.00 H new ATOM 0 HB2 ASP B 1 14.112 -16.407 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP B 1 13.023 -15.860 -8.405 1.00 0.00 H new ATOM 840 N TYR B 2 10.044 -15.686 -7.724 1.00 0.00 N ATOM 841 CA TYR B 2 8.780 -15.073 -8.145 1.00 0.00 C ATOM 842 C TYR B 2 7.862 -14.694 -6.973 1.00 0.00 C ATOM 843 O TYR B 2 7.206 -13.656 -7.021 1.00 0.00 O ATOM 844 CB TYR B 2 8.049 -15.998 -9.125 1.00 0.00 C ATOM 845 CG TYR B 2 7.388 -17.236 -8.541 1.00 0.00 C ATOM 846 CD1 TYR B 2 8.125 -18.424 -8.365 1.00 0.00 C ATOM 847 CD2 TYR B 2 6.018 -17.207 -8.207 1.00 0.00 C ATOM 848 CE1 TYR B 2 7.502 -19.574 -7.840 1.00 0.00 C ATOM 849 CE2 TYR B 2 5.389 -18.356 -7.691 1.00 0.00 C ATOM 850 CZ TYR B 2 6.130 -19.543 -7.501 1.00 0.00 C ATOM 851 OH TYR B 2 5.518 -20.647 -6.994 1.00 0.00 O ATOM 0 H TYR B 2 10.203 -16.602 -8.144 1.00 0.00 H new ATOM 0 HA TYR B 2 9.037 -14.137 -8.641 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.283 -15.414 -9.636 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.763 -16.320 -9.883 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.171 -18.453 -8.633 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.449 -16.300 -8.348 1.00 0.00 H new ATOM 0 HE1 TYR B 2 8.073 -20.479 -7.697 1.00 0.00 H new ATOM 0 HE2 TYR B 2 4.339 -18.330 -7.440 1.00 0.00 H new ATOM 0 HH TYR B 2 4.575 -20.446 -6.817 1.00 0.00 H new ATOM 861 N LEU B 3 7.848 -15.499 -5.906 1.00 0.00 N ATOM 862 CA LEU B 3 7.086 -15.217 -4.679 1.00 0.00 C ATOM 863 C LEU B 3 7.629 -13.976 -3.969 1.00 0.00 C ATOM 864 O LEU B 3 6.856 -13.076 -3.653 1.00 0.00 O ATOM 865 CB LEU B 3 7.094 -16.416 -3.712 1.00 0.00 C ATOM 866 CG LEU B 3 6.349 -17.648 -4.244 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.545 -18.832 -3.293 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.839 -17.419 -4.381 1.00 0.00 C ATOM 0 H LEU B 3 8.370 -16.375 -5.867 1.00 0.00 H new ATOM 0 HA LEU B 3 6.056 -15.031 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.127 -16.692 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.644 -16.111 -2.767 1.00 0.00 H new ATOM 0 HG LEU B 3 6.766 -17.849 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.013 -19.701 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.607 -19.063 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.155 -18.576 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.367 -18.325 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.418 -17.172 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.657 -16.597 -5.073 1.00 0.00 H new ATOM 880 N ARG B 4 8.950 -13.875 -3.777 1.00 0.00 N ATOM 881 CA ARG B 4 9.588 -12.654 -3.238 1.00 0.00 C ATOM 882 C ARG B 4 9.213 -11.418 -4.061 1.00 0.00 C ATOM 883 O ARG B 4 8.854 -10.389 -3.490 1.00 0.00 O ATOM 884 CB ARG B 4 11.115 -12.844 -3.125 1.00 0.00 C ATOM 885 CG ARG B 4 11.859 -11.530 -2.821 1.00 0.00 C ATOM 886 CD ARG B 4 13.358 -11.752 -2.593 1.00 0.00 C ATOM 887 NE ARG B 4 14.096 -10.474 -2.688 1.00 0.00 N ATOM 888 CZ ARG B 4 15.270 -10.182 -2.156 1.00 0.00 C ATOM 889 NH1 ARG B 4 15.914 -11.011 -1.382 1.00 0.00 N ATOM 890 NH2 ARG B 4 15.831 -9.031 -2.400 1.00 0.00 N ATOM 0 H ARG B 4 9.607 -14.627 -3.987 1.00 0.00 H new ATOM 0 HA ARG B 4 9.207 -12.482 -2.231 1.00 0.00 H new ATOM 0 HB2 ARG B 4 11.329 -13.568 -2.339 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.494 -13.264 -4.057 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.718 -10.835 -3.649 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.424 -11.064 -1.937 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.519 -12.199 -1.612 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.743 -12.456 -3.331 1.00 0.00 H new ATOM 0 HE ARG B 4 13.647 -9.733 -3.226 1.00 0.00 H new ATOM 0 HH11 ARG B 4 15.513 -11.924 -1.167 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.818 -10.746 -0.992 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.364 -8.353 -3.003 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.737 -8.808 -1.988 1.00 0.00 H new ATOM 904 N GLU B 5 9.259 -11.523 -5.390 1.00 0.00 N ATOM 905 CA GLU B 5 8.889 -10.419 -6.286 1.00 0.00 C ATOM 906 C GLU B 5 7.408 -10.014 -6.136 1.00 0.00 C ATOM 907 O GLU B 5 7.098 -8.823 -6.061 1.00 0.00 O ATOM 908 CB GLU B 5 9.257 -10.787 -7.731 1.00 0.00 C ATOM 909 CG GLU B 5 9.090 -9.598 -8.685 1.00 0.00 C ATOM 910 CD GLU B 5 9.711 -9.900 -10.063 1.00 0.00 C ATOM 911 OE1 GLU B 5 9.031 -10.515 -10.921 1.00 0.00 O ATOM 912 OE2 GLU B 5 10.881 -9.507 -10.304 1.00 0.00 O ATOM 0 H GLU B 5 9.552 -12.370 -5.877 1.00 0.00 H new ATOM 0 HA GLU B 5 9.458 -9.534 -6.002 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.289 -11.137 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.629 -11.612 -8.066 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.031 -9.368 -8.803 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.562 -8.714 -8.256 1.00 0.00 H new ATOM 919 N LEU B 6 6.510 -10.999 -6.011 1.00 0.00 N ATOM 920 CA LEU B 6 5.093 -10.823 -5.676 1.00 0.00 C ATOM 921 C LEU B 6 4.905 -10.134 -4.312 1.00 0.00 C ATOM 922 O LEU B 6 4.491 -8.977 -4.263 1.00 0.00 O ATOM 923 CB LEU B 6 4.390 -12.202 -5.747 1.00 0.00 C ATOM 924 CG LEU B 6 3.520 -12.402 -6.997 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.252 -12.194 -8.326 1.00 0.00 C ATOM 926 CD2 LEU B 6 2.949 -13.822 -7.015 1.00 0.00 C ATOM 0 H LEU B 6 6.761 -11.978 -6.146 1.00 0.00 H new ATOM 0 HA LEU B 6 4.630 -10.155 -6.402 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.147 -12.985 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.767 -12.326 -4.861 1.00 0.00 H new ATOM 0 HG LEU B 6 2.746 -11.639 -6.921 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.560 -12.356 -9.152 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.640 -11.177 -8.372 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.078 -12.901 -8.401 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.333 -13.955 -7.905 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.767 -14.543 -7.028 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.340 -13.981 -6.125 1.00 0.00 H new ATOM 938 N LEU B 7 5.239 -10.813 -3.208 1.00 0.00 N ATOM 939 CA LEU B 7 5.022 -10.324 -1.837 1.00 0.00 C ATOM 940 C LEU B 7 5.585 -8.911 -1.593 1.00 0.00 C ATOM 941 O LEU B 7 4.917 -8.103 -0.943 1.00 0.00 O ATOM 942 CB LEU B 7 5.604 -11.296 -0.785 1.00 0.00 C ATOM 943 CG LEU B 7 4.712 -12.504 -0.417 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.137 -13.783 -1.132 1.00 0.00 C ATOM 945 CD2 LEU B 7 4.800 -12.803 1.080 1.00 0.00 C ATOM 0 H LEU B 7 5.676 -11.734 -3.241 1.00 0.00 H new ATOM 0 HA LEU B 7 3.939 -10.271 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.558 -11.672 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU B 7 5.814 -10.733 0.125 1.00 0.00 H new ATOM 0 HG LEU B 7 3.702 -12.225 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.478 -14.600 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.074 -13.635 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.163 -14.029 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.165 -13.656 1.319 1.00 0.00 H new ATOM 0 HD22 LEU B 7 5.832 -13.033 1.345 1.00 0.00 H new ATOM 0 HD23 LEU B 7 4.466 -11.933 1.645 1.00 0.00 H new ATOM 957 N LYS B 8 6.782 -8.585 -2.106 1.00 0.00 N ATOM 958 CA LYS B 8 7.407 -7.276 -1.890 1.00 0.00 C ATOM 959 C LYS B 8 6.748 -6.179 -2.727 1.00 0.00 C ATOM 960 O LYS B 8 6.469 -5.097 -2.212 1.00 0.00 O ATOM 961 CB LYS B 8 8.909 -7.397 -2.179 1.00 0.00 C ATOM 962 CG LYS B 8 9.666 -6.212 -1.575 1.00 0.00 C ATOM 963 CD LYS B 8 11.173 -6.341 -1.813 1.00 0.00 C ATOM 964 CE LYS B 8 11.856 -5.229 -1.014 1.00 0.00 C ATOM 965 NZ LYS B 8 13.327 -5.211 -1.230 1.00 0.00 N ATOM 0 H LYS B 8 7.339 -9.219 -2.679 1.00 0.00 H new ATOM 0 HA LYS B 8 7.264 -6.977 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.291 -8.330 -1.765 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.077 -7.433 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.304 -5.283 -2.015 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.467 -6.157 -0.505 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.530 -7.320 -1.493 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.404 -6.249 -2.874 1.00 0.00 H new ATOM 0 HE2 LYS B 8 11.436 -4.265 -1.301 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.647 -5.364 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 13.751 -4.443 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 13.733 -6.121 -0.932 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 13.528 -5.056 -2.239 1.00 0.00 H new ATOM 979 N GLY B 9 6.434 -6.466 -3.990 1.00 0.00 N ATOM 980 CA GLY B 9 5.804 -5.521 -4.906 1.00 0.00 C ATOM 981 C GLY B 9 4.382 -5.131 -4.527 1.00 0.00 C ATOM 982 O GLY B 9 3.977 -3.981 -4.681 1.00 0.00 O ATOM 0 H GLY B 9 6.614 -7.378 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.414 -4.619 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY B 9 5.795 -5.954 -5.906 1.00 0.00 H new ATOM 986 N GLU B 10 3.644 -6.074 -3.951 1.00 0.00 N ATOM 987 CA GLU B 10 2.341 -5.817 -3.339 1.00 0.00 C ATOM 988 C GLU B 10 2.459 -4.830 -2.160 1.00 0.00 C ATOM 989 O GLU B 10 1.668 -3.894 -2.064 1.00 0.00 O ATOM 990 CB GLU B 10 1.757 -7.156 -2.864 1.00 0.00 C ATOM 991 CG GLU B 10 1.465 -8.191 -3.968 1.00 0.00 C ATOM 992 CD GLU B 10 0.119 -7.964 -4.631 1.00 0.00 C ATOM 993 OE1 GLU B 10 -0.165 -7.070 -5.447 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.934 -8.578 -4.384 1.00 0.00 O ATOM 0 H GLU B 10 3.935 -7.050 -3.894 1.00 0.00 H new ATOM 0 HA GLU B 10 1.681 -5.359 -4.076 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.451 -7.600 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.830 -6.956 -2.326 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.251 -8.146 -4.722 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.492 -9.193 -3.540 1.00 0.00 H new ATOM 1001 N LEU B 11 3.485 -4.969 -1.307 1.00 0.00 N ATOM 1002 CA LEU B 11 3.750 -4.135 -0.129 1.00 0.00 C ATOM 1003 C LEU B 11 4.179 -2.714 -0.543 1.00 0.00 C ATOM 1004 O LEU B 11 3.731 -1.715 0.021 1.00 0.00 O ATOM 1005 CB LEU B 11 4.778 -4.919 0.724 1.00 0.00 C ATOM 1006 CG LEU B 11 5.838 -4.100 1.467 1.00 0.00 C ATOM 1007 CD1 LEU B 11 5.258 -3.300 2.636 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.924 -5.024 2.018 1.00 0.00 C ATOM 0 H LEU B 11 4.185 -5.701 -1.427 1.00 0.00 H new ATOM 0 HA LEU B 11 2.862 -3.957 0.478 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.229 -5.508 1.459 1.00 0.00 H new ATOM 0 HB3 LEU B 11 5.292 -5.624 0.071 1.00 0.00 H new ATOM 0 HG LEU B 11 6.248 -3.399 0.740 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.055 -2.740 3.125 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.503 -2.607 2.264 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.802 -3.982 3.353 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.673 -4.432 2.544 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.477 -5.740 2.708 1.00 0.00 H new ATOM 0 HD23 LEU B 11 7.398 -5.560 1.195 1.00 0.00 H new ATOM 1020 N GLN B 12 4.972 -2.636 -1.607 1.00 0.00 N ATOM 1021 CA GLN B 12 5.347 -1.415 -2.316 1.00 0.00 C ATOM 1022 C GLN B 12 4.128 -0.689 -2.925 1.00 0.00 C ATOM 1023 O GLN B 12 4.184 0.520 -3.154 1.00 0.00 O ATOM 1024 CB GLN B 12 6.403 -1.763 -3.382 1.00 0.00 C ATOM 1025 CG GLN B 12 7.785 -2.026 -2.756 1.00 0.00 C ATOM 1026 CD GLN B 12 8.838 -2.440 -3.788 1.00 0.00 C ATOM 1027 OE1 GLN B 12 8.591 -3.184 -4.729 1.00 0.00 O ATOM 1028 NE2 GLN B 12 10.065 -1.978 -3.656 1.00 0.00 N ATOM 0 H GLN B 12 5.394 -3.467 -2.021 1.00 0.00 H new ATOM 0 HA GLN B 12 5.776 -0.712 -1.602 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.082 -2.645 -3.937 1.00 0.00 H new ATOM 0 HB3 GLN B 12 6.479 -0.945 -4.099 1.00 0.00 H new ATOM 0 HG2 GLN B 12 8.122 -1.126 -2.241 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.694 -2.809 -2.003 1.00 0.00 H new ATOM 0 HE21 GLN B 12 10.295 -1.357 -2.880 1.00 0.00 H new ATOM 0 HE22 GLN B 12 10.784 -2.242 -4.329 1.00 0.00 H new ATOM 1037 N GLY B 13 3.007 -1.397 -3.115 1.00 0.00 N ATOM 1038 CA GLY B 13 1.717 -0.835 -3.510 1.00 0.00 C ATOM 1039 C GLY B 13 0.894 -0.374 -2.306 1.00 0.00 C ATOM 1040 O GLY B 13 0.347 0.728 -2.351 1.00 0.00 O ATOM 0 H GLY B 13 2.976 -2.409 -2.993 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.880 0.009 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY B 13 1.153 -1.582 -4.069 1.00 0.00 H new ATOM 1044 N ILE B 14 0.871 -1.147 -1.205 1.00 0.00 N ATOM 1045 CA ILE B 14 0.131 -0.791 0.032 1.00 0.00 C ATOM 1046 C ILE B 14 0.455 0.645 0.466 1.00 0.00 C ATOM 1047 O ILE B 14 -0.444 1.463 0.679 1.00 0.00 O ATOM 1048 CB ILE B 14 0.437 -1.765 1.204 1.00 0.00 C ATOM 1049 CG1 ILE B 14 0.057 -3.235 0.938 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -0.234 -1.312 2.518 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -1.433 -3.497 0.708 1.00 0.00 C ATOM 0 H ILE B 14 1.364 -2.038 -1.142 1.00 0.00 H new ATOM 0 HA ILE B 14 -0.930 -0.872 -0.206 1.00 0.00 H new ATOM 0 HB ILE B 14 1.522 -1.724 1.297 1.00 0.00 H new ATOM 0 HG12 ILE B 14 0.609 -3.583 0.065 1.00 0.00 H new ATOM 0 HG13 ILE B 14 0.388 -3.837 1.784 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.005 -2.020 3.312 1.00 0.00 H new ATOM 0 HG22 ILE B 14 0.133 -0.323 2.792 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -1.315 -1.273 2.380 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -1.592 -4.561 0.530 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.997 -3.188 1.588 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.773 -2.930 -0.158 1.00 0.00 H new ATOM 1063 N LYS B 15 1.754 0.960 0.565 1.00 0.00 N ATOM 1064 CA LYS B 15 2.232 2.233 1.118 1.00 0.00 C ATOM 1065 C LYS B 15 2.018 3.441 0.198 1.00 0.00 C ATOM 1066 O LYS B 15 1.888 4.560 0.693 1.00 0.00 O ATOM 1067 CB LYS B 15 3.695 2.101 1.575 1.00 0.00 C ATOM 1068 CG LYS B 15 3.799 1.173 2.800 1.00 0.00 C ATOM 1069 CD LYS B 15 5.210 1.171 3.400 1.00 0.00 C ATOM 1070 CE LYS B 15 5.226 0.329 4.684 1.00 0.00 C ATOM 1071 NZ LYS B 15 6.554 0.369 5.350 1.00 0.00 N ATOM 0 H LYS B 15 2.503 0.337 0.263 1.00 0.00 H new ATOM 0 HA LYS B 15 1.610 2.445 1.988 1.00 0.00 H new ATOM 0 HB2 LYS B 15 4.302 1.706 0.760 1.00 0.00 H new ATOM 0 HB3 LYS B 15 4.095 3.085 1.822 1.00 0.00 H new ATOM 0 HG2 LYS B 15 3.083 1.491 3.558 1.00 0.00 H new ATOM 0 HG3 LYS B 15 3.527 0.158 2.510 1.00 0.00 H new ATOM 0 HD2 LYS B 15 5.921 0.767 2.680 1.00 0.00 H new ATOM 0 HD3 LYS B 15 5.524 2.192 3.619 1.00 0.00 H new ATOM 0 HE2 LYS B 15 4.463 0.697 5.370 1.00 0.00 H new ATOM 0 HE3 LYS B 15 4.969 -0.703 4.446 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 6.527 -0.211 6.213 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 7.278 -0.005 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.788 1.351 5.600 1.00 0.00 H new ATOM 1085 N GLN B 16 1.917 3.230 -1.116 1.00 0.00 N ATOM 1086 CA GLN B 16 1.563 4.265 -2.080 1.00 0.00 C ATOM 1087 C GLN B 16 0.059 4.509 -2.155 1.00 0.00 C ATOM 1088 O GLN B 16 -0.381 5.659 -2.180 1.00 0.00 O ATOM 1089 CB GLN B 16 2.105 3.861 -3.456 1.00 0.00 C ATOM 1090 CG GLN B 16 3.613 4.114 -3.579 1.00 0.00 C ATOM 1091 CD GLN B 16 4.047 4.087 -5.042 1.00 0.00 C ATOM 1092 OE1 GLN B 16 4.393 3.061 -5.613 1.00 0.00 O ATOM 1093 NE2 GLN B 16 4.024 5.225 -5.710 1.00 0.00 N ATOM 0 H GLN B 16 2.082 2.319 -1.544 1.00 0.00 H new ATOM 0 HA GLN B 16 2.012 5.202 -1.751 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.900 2.805 -3.630 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.580 4.420 -4.230 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.862 5.079 -3.138 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.161 3.357 -3.018 1.00 0.00 H new ATOM 0 HE21 GLN B 16 3.737 6.085 -5.243 1.00 0.00 H new ATOM 0 HE22 GLN B 16 4.293 5.244 -6.694 1.00 0.00 H new ATOM 1102 N TYR B 17 -0.745 3.448 -2.125 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.196 3.567 -2.187 1.00 0.00 C ATOM 1104 C TYR B 17 -2.786 4.342 -1.009 1.00 0.00 C ATOM 1105 O TYR B 17 -3.743 5.101 -1.185 1.00 0.00 O ATOM 1106 CB TYR B 17 -2.832 2.180 -2.247 1.00 0.00 C ATOM 1107 CG TYR B 17 -2.796 1.503 -3.610 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.202 2.209 -4.763 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.394 0.156 -3.724 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.174 1.584 -6.022 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.380 -0.477 -4.984 1.00 0.00 C ATOM 1112 CZ TYR B 17 -2.770 0.239 -6.136 1.00 0.00 C ATOM 1113 OH TYR B 17 -2.874 -0.385 -7.338 1.00 0.00 O ATOM 0 H TYR B 17 -0.409 2.487 -2.057 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.422 4.132 -3.092 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.327 1.536 -1.527 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -3.871 2.261 -1.928 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.535 3.233 -4.678 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.096 -0.393 -2.843 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.463 2.136 -6.904 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.071 -1.509 -5.067 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.949 -1.352 -7.199 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.196 4.183 0.182 1.00 0.00 N ATOM 1124 CA ARG B 18 -2.632 4.894 1.391 1.00 0.00 C ATOM 1125 C ARG B 18 -2.423 6.414 1.293 1.00 0.00 C ATOM 1126 O ARG B 18 -3.133 7.175 1.947 1.00 0.00 O ATOM 1127 CB ARG B 18 -1.940 4.296 2.631 1.00 0.00 C ATOM 1128 CG ARG B 18 -2.913 3.869 3.740 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.617 5.051 4.420 1.00 0.00 C ATOM 1130 NE ARG B 18 -4.473 4.590 5.534 1.00 0.00 N ATOM 1131 CZ ARG B 18 -4.723 5.225 6.668 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -4.215 6.394 6.940 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -5.501 4.688 7.565 1.00 0.00 N ATOM 0 H ARG B 18 -1.404 3.559 0.335 1.00 0.00 H new ATOM 0 HA ARG B 18 -3.708 4.752 1.491 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.351 3.431 2.325 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -1.243 5.030 3.035 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -3.665 3.202 3.317 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -2.368 3.299 4.492 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -2.874 5.754 4.795 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -4.223 5.587 3.689 1.00 0.00 H new ATOM 0 HE ARG B 18 -4.921 3.681 5.415 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -3.600 6.852 6.267 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -4.432 6.851 7.826 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -5.921 3.774 7.395 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -5.690 5.182 8.437 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.478 6.858 0.460 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.224 8.274 0.162 1.00 0.00 C ATOM 1149 C GLU B 19 -2.079 8.787 -1.015 1.00 0.00 C ATOM 1150 O GLU B 19 -2.546 9.919 -1.016 1.00 0.00 O ATOM 1151 CB GLU B 19 0.272 8.415 -0.170 1.00 0.00 C ATOM 1152 CG GLU B 19 0.768 9.859 -0.032 1.00 0.00 C ATOM 1153 CD GLU B 19 2.288 9.946 -0.290 1.00 0.00 C ATOM 1154 OE1 GLU B 19 3.085 9.682 0.650 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.693 10.293 -1.431 1.00 0.00 O ATOM 0 H GLU B 19 -0.851 6.228 -0.040 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.497 8.876 1.028 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.850 7.770 0.492 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.450 8.068 -1.188 1.00 0.00 H new ATOM 0 HG2 GLU B 19 0.238 10.499 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.543 10.231 0.967 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.315 7.949 -2.020 1.00 0.00 N ATOM 1163 CA ALA B 20 -2.964 8.281 -3.288 1.00 0.00 C ATOM 1164 C ALA B 20 -4.424 8.747 -3.157 1.00 0.00 C ATOM 1165 O ALA B 20 -4.871 9.564 -3.965 1.00 0.00 O ATOM 1166 CB ALA B 20 -2.835 7.077 -4.228 1.00 0.00 C ATOM 0 H ALA B 20 -2.045 6.967 -1.971 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.449 9.148 -3.702 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.314 7.306 -5.180 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.781 6.858 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.319 6.210 -3.778 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.167 8.306 -2.131 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.511 8.841 -1.860 1.00 0.00 C ATOM 1174 C LEU B 21 -6.483 10.328 -1.482 1.00 0.00 C ATOM 1175 O LEU B 21 -7.449 11.030 -1.770 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.260 7.963 -0.845 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.788 8.192 -0.793 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.508 6.873 -0.505 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.202 9.167 0.314 1.00 0.00 C ATOM 0 H LEU B 21 -4.863 7.584 -1.478 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.081 8.797 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.072 6.916 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.846 8.144 0.147 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.062 8.606 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.584 7.046 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.281 6.155 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.173 6.477 0.454 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.285 9.290 0.304 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.891 8.773 1.281 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.725 10.133 0.145 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.376 10.860 -0.946 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.281 12.306 -0.661 1.00 0.00 C ATOM 1193 C GLU B 22 -5.379 13.173 -1.930 1.00 0.00 C ATOM 1194 O GLU B 22 -5.874 14.302 -1.891 1.00 0.00 O ATOM 1195 CB GLU B 22 -3.959 12.617 0.044 1.00 0.00 C ATOM 1196 CG GLU B 22 -3.942 12.188 1.522 1.00 0.00 C ATOM 1197 CD GLU B 22 -4.076 13.409 2.466 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -5.196 13.976 2.580 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -3.069 13.797 3.116 1.00 0.00 O ATOM 0 H GLU B 22 -4.543 10.324 -0.703 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.128 12.551 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.147 12.115 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.765 13.688 -0.019 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -4.758 11.490 1.709 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -3.014 11.659 1.738 1.00 0.00 H new ATOM 1206 N TYR B 23 -4.936 12.616 -3.056 1.00 0.00 N ATOM 1207 CA TYR B 23 -4.847 13.256 -4.373 1.00 0.00 C ATOM 1208 C TYR B 23 -5.915 12.774 -5.381 1.00 0.00 C ATOM 1209 O TYR B 23 -5.922 13.222 -6.530 1.00 0.00 O ATOM 1210 CB TYR B 23 -3.420 13.051 -4.901 1.00 0.00 C ATOM 1211 CG TYR B 23 -2.349 13.657 -4.010 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.127 15.048 -4.035 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -1.598 12.841 -3.139 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.157 15.625 -3.194 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -0.627 13.415 -2.295 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.404 14.811 -2.320 1.00 0.00 C ATOM 1217 OH TYR B 23 0.529 15.379 -1.507 1.00 0.00 O ATOM 0 H TYR B 23 -4.610 11.650 -3.078 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.061 14.318 -4.255 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.231 11.983 -5.007 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -3.343 13.489 -5.896 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -2.703 15.673 -4.701 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -1.767 11.775 -3.119 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -0.989 16.692 -3.217 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -0.053 12.788 -1.629 1.00 0.00 H new ATOM 0 HH TYR B 23 0.959 14.684 -0.967 1.00 0.00 H new ATOM 1227 N THR B 24 -6.846 11.907 -4.957 1.00 0.00 N ATOM 1228 CA THR B 24 -7.958 11.388 -5.791 1.00 0.00 C ATOM 1229 C THR B 24 -9.329 11.491 -5.114 1.00 0.00 C ATOM 1230 O THR B 24 -10.319 11.806 -5.774 1.00 0.00 O ATOM 1231 CB THR B 24 -7.718 9.934 -6.230 1.00 0.00 C ATOM 1232 OG1 THR B 24 -7.559 9.111 -5.104 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.469 9.748 -7.093 1.00 0.00 C ATOM 0 H THR B 24 -6.854 11.535 -4.007 1.00 0.00 H new ATOM 0 HA THR B 24 -7.971 12.034 -6.669 1.00 0.00 H new ATOM 0 HB THR B 24 -8.593 9.665 -6.822 1.00 0.00 H new ATOM 0 HG1 THR B 24 -6.634 9.168 -4.785 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.367 8.697 -7.363 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.560 10.348 -7.998 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.589 10.066 -6.533 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.393 11.311 -3.791 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.612 11.257 -2.968 1.00 0.00 C ATOM 1243 C HIS B 25 -11.747 10.389 -3.568 1.00 0.00 C ATOM 1244 O HIS B 25 -12.883 10.845 -3.714 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.033 12.671 -2.522 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.234 13.150 -1.334 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.536 12.905 -0.003 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.063 13.852 -1.372 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.563 13.454 0.754 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.659 14.041 -0.060 1.00 0.00 N ATOM 0 H HIS B 25 -8.549 11.192 -3.231 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.366 10.711 -2.057 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -10.903 13.367 -3.351 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.093 12.671 -2.270 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.549 14.195 -2.258 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.515 13.428 1.833 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.821 14.539 0.240 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.447 9.130 -3.922 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.391 8.183 -4.546 1.00 0.00 C ATOM 1261 C ASN B 26 -12.497 6.846 -3.771 1.00 0.00 C ATOM 1262 O ASN B 26 -11.480 6.337 -3.290 1.00 0.00 O ATOM 1263 CB ASN B 26 -11.961 7.948 -6.010 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.326 9.089 -6.945 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -11.474 9.752 -7.510 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -13.597 9.338 -7.173 1.00 0.00 N ATOM 0 H ASN B 26 -10.519 8.730 -3.780 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.388 8.621 -4.517 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -10.882 7.795 -6.042 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.424 7.031 -6.373 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -13.863 10.081 -7.819 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -14.317 8.788 -6.704 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.698 6.221 -3.700 1.00 0.00 N ATOM 1274 CA PRO B 27 -13.933 4.964 -2.972 1.00 0.00 C ATOM 1275 C PRO B 27 -13.341 3.728 -3.674 1.00 0.00 C ATOM 1276 O PRO B 27 -13.253 2.651 -3.089 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.459 4.848 -2.863 1.00 0.00 C ATOM 1278 CG PRO B 27 -15.949 5.533 -4.138 1.00 0.00 C ATOM 1279 CD PRO B 27 -14.949 6.675 -4.309 1.00 0.00 C ATOM 0 HA PRO B 27 -13.436 4.991 -2.002 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.782 3.808 -2.814 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -15.838 5.342 -1.968 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.940 4.855 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -16.970 5.900 -4.034 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.805 6.911 -5.363 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.310 7.583 -3.826 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.925 3.875 -4.933 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.292 2.818 -5.739 1.00 0.00 C ATOM 1289 C VAL B 28 -10.929 2.416 -5.191 1.00 0.00 C ATOM 1290 O VAL B 28 -10.678 1.225 -5.028 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.261 3.281 -7.201 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.402 2.406 -8.097 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -13.680 3.315 -7.788 1.00 0.00 C ATOM 0 H VAL B 28 -13.020 4.756 -5.439 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.880 1.902 -5.683 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.820 4.278 -7.179 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.427 2.793 -9.116 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.375 2.410 -7.733 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.787 1.386 -8.087 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -13.637 3.646 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.116 2.317 -7.743 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -14.295 4.006 -7.212 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.085 3.363 -4.775 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.849 3.038 -4.059 1.00 0.00 C ATOM 1305 C LEU B 29 -9.122 2.200 -2.796 1.00 0.00 C ATOM 1306 O LEU B 29 -8.384 1.256 -2.532 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.082 4.325 -3.739 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.362 4.932 -4.958 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.286 5.707 -5.909 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.281 5.888 -4.474 1.00 0.00 C ATOM 0 H LEU B 29 -10.235 4.361 -4.922 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.227 2.419 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.777 5.061 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.348 4.117 -2.960 1.00 0.00 H new ATOM 0 HG LEU B 29 -6.953 4.090 -5.517 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -7.703 6.103 -6.741 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.057 5.039 -6.292 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.754 6.531 -5.370 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.767 6.321 -5.332 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.736 6.684 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.564 5.345 -3.858 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.229 2.461 -2.090 1.00 0.00 N ATOM 1323 CA ALA B 30 -10.708 1.664 -0.953 1.00 0.00 C ATOM 1324 C ALA B 30 -11.319 0.283 -1.321 1.00 0.00 C ATOM 1325 O ALA B 30 -11.734 -0.449 -0.422 1.00 0.00 O ATOM 1326 CB ALA B 30 -11.668 2.526 -0.119 1.00 0.00 C ATOM 0 H ALA B 30 -10.834 3.255 -2.300 1.00 0.00 H new ATOM 0 HA ALA B 30 -9.834 1.392 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -12.032 1.947 0.730 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -11.142 3.410 0.243 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -12.511 2.834 -0.737 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.329 -0.117 -2.604 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.367 -1.518 -3.052 1.00 0.00 C ATOM 1334 C LYS B 31 -9.986 -2.035 -3.443 1.00 0.00 C ATOM 1335 O LYS B 31 -9.617 -3.118 -2.999 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.329 -1.728 -4.239 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.777 -2.009 -3.813 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.573 -2.571 -5.006 1.00 0.00 C ATOM 1339 CE LYS B 31 -15.982 -3.046 -4.622 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.906 -1.916 -4.338 1.00 0.00 N ATOM 0 H LYS B 31 -11.310 0.545 -3.380 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.732 -2.085 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.311 -0.841 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -11.969 -2.560 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -13.791 -2.720 -2.987 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -14.244 -1.093 -3.452 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.652 -1.803 -5.776 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.022 -3.404 -5.442 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.391 -3.651 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -15.919 -3.689 -3.744 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.843 -2.289 -4.084 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -16.532 -1.352 -3.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -16.990 -1.316 -5.183 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.209 -1.266 -4.215 1.00 0.00 N ATOM 1355 CA ILE B 32 -7.866 -1.697 -4.668 1.00 0.00 C ATOM 1356 C ILE B 32 -6.985 -2.035 -3.468 1.00 0.00 C ATOM 1357 O ILE B 32 -6.621 -3.197 -3.291 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.184 -0.693 -5.623 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -7.765 -0.749 -7.055 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -5.691 -1.008 -5.764 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -8.895 0.244 -7.266 1.00 0.00 C ATOM 0 H ILE B 32 -9.481 -0.339 -4.543 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.007 -2.600 -5.262 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.357 0.289 -5.183 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -6.971 -0.548 -7.774 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -8.129 -1.756 -7.256 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.230 -0.289 -6.441 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.212 -0.945 -4.787 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.568 -2.014 -6.165 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -9.266 0.162 -8.288 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -9.704 0.028 -6.568 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -8.527 1.256 -7.094 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.679 -1.049 -2.621 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.788 -1.246 -1.475 1.00 0.00 C ATOM 1375 C LEU B 33 -6.408 -2.154 -0.415 1.00 0.00 C ATOM 1376 O LEU B 33 -5.682 -2.828 0.315 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.283 0.108 -0.952 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.214 0.932 -0.044 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -6.165 0.519 1.431 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.863 2.420 -0.082 1.00 0.00 C ATOM 0 H LEU B 33 -7.039 -0.099 -2.709 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.902 -1.790 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.358 -0.071 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.029 0.724 -1.815 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.209 0.739 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.847 1.144 2.007 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.462 -0.525 1.526 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.151 0.644 1.810 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.541 2.970 0.571 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.837 2.561 0.259 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.961 2.791 -1.102 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.743 -2.217 -0.368 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.426 -3.191 0.481 1.00 0.00 C ATOM 1394 C GLU B 34 -8.163 -4.639 0.027 1.00 0.00 C ATOM 1395 O GLU B 34 -7.970 -5.518 0.868 1.00 0.00 O ATOM 1396 CB GLU B 34 -9.922 -2.870 0.593 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.623 -3.742 1.643 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.075 -3.284 1.888 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.999 -3.791 1.205 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -12.307 -2.451 2.800 1.00 0.00 O ATOM 0 H GLU B 34 -8.364 -1.610 -0.903 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.005 -3.110 1.483 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.048 -1.819 0.853 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.398 -3.018 -0.377 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.620 -4.781 1.314 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.066 -3.703 2.579 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.080 -4.903 -1.284 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.723 -6.222 -1.792 1.00 0.00 C ATOM 1409 C ASP B 35 -6.234 -6.550 -1.695 1.00 0.00 C ATOM 1410 O ASP B 35 -5.903 -7.658 -1.281 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.205 -6.424 -3.225 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.721 -6.308 -3.452 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.507 -6.780 -2.585 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -10.098 -5.804 -4.540 1.00 0.00 O ATOM 0 H ASP B 35 -8.258 -4.211 -2.012 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.240 -6.919 -1.133 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.706 -5.693 -3.861 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.883 -7.410 -3.560 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.322 -5.613 -1.979 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.887 -5.854 -1.793 1.00 0.00 C ATOM 1421 C GLU B 36 -3.523 -6.250 -0.352 1.00 0.00 C ATOM 1422 O GLU B 36 -2.552 -6.978 -0.136 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.094 -4.598 -2.172 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.337 -4.023 -3.571 1.00 0.00 C ATOM 1425 CD GLU B 36 -3.125 -4.995 -4.724 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.541 -6.092 -4.557 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.528 -4.703 -5.874 1.00 0.00 O ATOM 0 H GLU B 36 -5.551 -4.686 -2.337 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.628 -6.691 -2.442 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.319 -3.821 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.032 -4.826 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.359 -3.648 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.676 -3.168 -3.713 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.318 -5.817 0.632 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.114 -6.168 2.044 1.00 0.00 C ATOM 1436 C GLU B 37 -4.378 -7.664 2.296 1.00 0.00 C ATOM 1437 O GLU B 37 -3.715 -8.291 3.126 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.023 -5.288 2.918 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.637 -5.330 4.402 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.518 -4.371 5.226 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.603 -4.790 5.700 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -5.125 -3.195 5.421 1.00 0.00 O ATOM 0 H GLU B 37 -5.123 -5.212 0.473 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.073 -5.983 2.309 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -4.975 -4.258 2.563 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.056 -5.616 2.806 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.745 -6.346 4.781 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.588 -5.056 4.517 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.313 -8.249 1.532 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.614 -9.689 1.518 1.00 0.00 C ATOM 1451 C LYS B 38 -4.623 -10.453 0.655 1.00 0.00 C ATOM 1452 O LYS B 38 -4.117 -11.474 1.102 1.00 0.00 O ATOM 1453 CB LYS B 38 -7.042 -9.945 0.998 1.00 0.00 C ATOM 1454 CG LYS B 38 -8.106 -9.243 1.853 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.545 -9.380 1.325 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.653 -8.595 0.014 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.049 -8.394 -0.454 1.00 0.00 N ATOM 0 H LYS B 38 -5.898 -7.717 0.888 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.534 -10.045 2.545 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.119 -9.597 -0.032 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -7.236 -11.018 0.988 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.064 -9.646 2.865 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.857 -8.184 1.922 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.791 -10.429 1.161 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -10.256 -8.997 2.057 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.180 -7.622 0.145 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.093 -9.120 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.040 -7.916 -1.378 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.521 -9.316 -0.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.565 -7.809 0.234 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.316 -9.961 -0.548 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.538 -10.629 -1.584 1.00 0.00 C ATOM 1473 C HIS B 39 -2.217 -11.243 -1.105 1.00 0.00 C ATOM 1474 O HIS B 39 -1.920 -12.386 -1.449 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.275 -9.585 -2.663 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.398 -9.258 -3.606 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.240 -8.460 -4.742 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.698 -9.663 -3.512 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.463 -8.395 -5.301 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.349 -9.128 -4.600 1.00 0.00 N ATOM 0 H HIS B 39 -4.623 -9.032 -0.837 1.00 0.00 H new ATOM 0 HA HIS B 39 -4.112 -11.482 -1.946 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.972 -8.662 -2.170 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.426 -9.923 -3.257 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.382 -8.021 -5.076 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.130 -10.280 -2.738 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.701 -7.831 -6.191 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.332 -9.263 -4.835 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.443 -10.516 -0.291 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.146 -10.991 0.221 1.00 0.00 C ATOM 1490 C ILE B 40 -0.321 -12.238 1.100 1.00 0.00 C ATOM 1491 O ILE B 40 0.355 -13.246 0.897 1.00 0.00 O ATOM 1492 CB ILE B 40 0.587 -9.863 0.992 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.800 -8.636 0.079 1.00 0.00 C ATOM 1494 CG2 ILE B 40 1.948 -10.348 1.525 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.421 -7.417 0.776 1.00 0.00 C ATOM 0 H ILE B 40 -1.695 -9.582 0.033 1.00 0.00 H new ATOM 0 HA ILE B 40 0.471 -11.272 -0.633 1.00 0.00 H new ATOM 0 HB ILE B 40 -0.039 -9.580 1.838 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.441 -8.927 -0.754 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -0.161 -8.345 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.439 -9.536 2.061 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.795 -11.189 2.201 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.574 -10.663 0.690 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.533 -6.605 0.058 1.00 0.00 H new ATOM 0 HD12 ILE B 40 0.773 -7.094 1.591 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.399 -7.685 1.175 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.254 -12.198 2.053 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.554 -13.352 2.908 1.00 0.00 C ATOM 1509 C GLU B 41 -2.336 -14.443 2.169 1.00 0.00 C ATOM 1510 O GLU B 41 -2.096 -15.623 2.409 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.272 -12.907 4.191 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.311 -12.133 5.106 1.00 0.00 C ATOM 1513 CD GLU B 41 -1.939 -11.868 6.488 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -1.875 -12.762 7.369 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -2.483 -10.761 6.716 1.00 0.00 O ATOM 0 H GLU B 41 -1.819 -11.373 2.254 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.602 -13.801 3.191 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.126 -12.279 3.937 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.662 -13.778 4.717 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.387 -12.699 5.227 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -1.045 -11.185 4.638 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.195 -14.088 1.212 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.850 -15.021 0.290 1.00 0.00 C ATOM 1524 C TRP B 42 -2.851 -15.889 -0.484 1.00 0.00 C ATOM 1525 O TRP B 42 -3.021 -17.111 -0.518 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.772 -14.226 -0.653 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.142 -13.911 -0.141 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.632 -14.213 1.084 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.230 -13.247 -0.853 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.953 -13.820 1.164 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.378 -13.225 -0.006 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.359 -12.656 -2.129 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.596 -12.661 -0.414 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.566 -12.057 -2.540 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.686 -12.068 -1.688 1.00 0.00 C ATOM 0 H TRP B 42 -3.462 -13.117 1.051 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.447 -15.722 0.874 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.277 -13.287 -0.902 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.876 -14.788 -1.581 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -6.075 -14.689 1.878 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.542 -13.953 1.986 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.515 -12.663 -2.803 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.454 -12.681 0.241 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.632 -11.588 -3.511 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.615 -11.622 -2.011 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.786 -15.306 -1.053 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.798 -16.086 -1.810 1.00 0.00 C ATOM 1548 C LEU B 43 0.241 -16.802 -0.921 1.00 0.00 C ATOM 1549 O LEU B 43 0.799 -17.821 -1.327 1.00 0.00 O ATOM 1550 CB LEU B 43 -0.238 -15.265 -2.975 1.00 0.00 C ATOM 1551 CG LEU B 43 0.907 -14.323 -2.610 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.262 -14.963 -2.909 1.00 0.00 C ATOM 1553 CD2 LEU B 43 0.811 -13.045 -3.434 1.00 0.00 C ATOM 0 H LEU B 43 -1.588 -14.307 -1.004 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.310 -16.930 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.108 -15.950 -3.749 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -1.048 -14.678 -3.408 1.00 0.00 H new ATOM 0 HG LEU B 43 0.826 -14.108 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.059 -14.270 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.367 -15.880 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.328 -15.196 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.631 -12.378 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.872 -13.290 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.139 -12.551 -3.230 1.00 0.00 H new ATOM 1565 N GLU B 44 0.455 -16.335 0.315 1.00 0.00 N ATOM 1566 CA GLU B 44 1.296 -17.023 1.308 1.00 0.00 C ATOM 1567 C GLU B 44 0.563 -18.183 2.016 1.00 0.00 C ATOM 1568 O GLU B 44 1.187 -19.201 2.325 1.00 0.00 O ATOM 1569 CB GLU B 44 1.833 -15.995 2.322 1.00 0.00 C ATOM 1570 CG GLU B 44 2.932 -16.599 3.211 1.00 0.00 C ATOM 1571 CD GLU B 44 3.589 -15.544 4.129 1.00 0.00 C ATOM 1572 OE1 GLU B 44 2.883 -14.956 4.990 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.827 -15.337 4.036 1.00 0.00 O ATOM 0 H GLU B 44 0.048 -15.465 0.658 1.00 0.00 H new ATOM 0 HA GLU B 44 2.131 -17.482 0.779 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.229 -15.130 1.789 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.014 -15.637 2.947 1.00 0.00 H new ATOM 0 HG2 GLU B 44 2.506 -17.394 3.822 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.696 -17.056 2.581 1.00 0.00 H new ATOM 1580 N THR B 45 -0.758 -18.094 2.227 1.00 0.00 N ATOM 1581 CA THR B 45 -1.566 -19.160 2.865 1.00 0.00 C ATOM 1582 C THR B 45 -1.502 -20.487 2.093 1.00 0.00 C ATOM 1583 O THR B 45 -1.603 -21.557 2.696 1.00 0.00 O ATOM 1584 CB THR B 45 -3.026 -18.705 3.070 1.00 0.00 C ATOM 1585 OG1 THR B 45 -3.061 -17.612 3.964 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.931 -19.765 3.702 1.00 0.00 C ATOM 0 H THR B 45 -1.306 -17.276 1.960 1.00 0.00 H new ATOM 0 HA THR B 45 -1.126 -19.344 3.845 1.00 0.00 H new ATOM 0 HB THR B 45 -3.388 -18.471 2.069 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.682 -16.820 3.528 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.939 -19.365 3.811 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.958 -20.648 3.063 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.541 -20.039 4.682 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.224 -20.442 0.783 1.00 0.00 N ATOM 1595 CA ILE B 46 -0.942 -21.609 -0.075 1.00 0.00 C ATOM 1596 C ILE B 46 0.135 -22.537 0.531 1.00 0.00 C ATOM 1597 O ILE B 46 0.068 -23.759 0.381 1.00 0.00 O ATOM 1598 CB ILE B 46 -0.524 -21.130 -1.495 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -1.578 -20.160 -2.092 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -0.294 -22.334 -2.427 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -1.323 -19.691 -3.532 1.00 0.00 C ATOM 0 H ILE B 46 -1.187 -19.561 0.270 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.857 -22.197 -0.147 1.00 0.00 H new ATOM 0 HB ILE B 46 0.415 -20.584 -1.404 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.552 -20.648 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -1.638 -19.281 -1.450 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -0.002 -21.979 -3.415 1.00 0.00 H new ATOM 0 HG22 ILE B 46 0.497 -22.963 -2.020 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -1.214 -22.913 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -2.123 -19.018 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -0.369 -19.167 -3.580 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -1.297 -20.555 -4.197 1.00 0.00 H new