USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 600 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.00578 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.391 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 13 GLN : amide:sc= 0.698 K(o=0.7,f=0) USER MOD Single : A 19 CYS SG : rot 180:sc=-0.00312 USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= 1.22 (180deg=0.989) USER MOD Single : A 31 CYS SG : rot 75:sc= -0.0457 USER MOD Single : A 33 GLN : amide:sc= 0.683 K(o=0.68,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.0828 X(o=0.083,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.609 K(o=0.61,f=-3.4!) USER MOD Single : A 41 MET CE :methyl 168:sc= -0.369 (180deg=-0.545) USER MOD Single : A 49 CYS SG : rot 82:sc= 0.00526 USER MOD Single : A 50 THR OG1 : rot 80:sc= 0.104 USER MOD Single : A 51 SER OG : rot 82:sc= 0.0728 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= 1 K(o=1,f=-3.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.229 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc=-2.51e-05 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0.788 (180deg=0.721) USER MOD Single : A 75 SER OG : rot 180:sc= 0.00606 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.460 -6.981 -1.392 1.00 0.00 N ATOM 2 CA MET A 1 5.889 -5.663 -1.021 1.00 0.00 C ATOM 3 C MET A 1 6.864 -4.949 -0.084 1.00 0.00 C ATOM 4 O MET A 1 7.310 -5.542 0.897 1.00 0.00 O ATOM 5 CB MET A 1 4.487 -5.799 -0.401 1.00 0.00 C ATOM 6 CG MET A 1 3.807 -4.433 -0.231 1.00 0.00 C ATOM 7 SD MET A 1 3.604 -3.485 -1.767 1.00 0.00 S ATOM 8 CE MET A 1 3.042 -1.911 -1.065 1.00 0.00 C ATOM 0 H1 MET A 1 5.695 -7.681 -1.470 1.00 0.00 H new ATOM 0 H2 MET A 1 6.952 -6.902 -2.305 1.00 0.00 H new ATOM 0 H3 MET A 1 7.134 -7.285 -0.661 1.00 0.00 H new ATOM 0 HA MET A 1 5.758 -5.063 -1.922 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.870 -6.437 -1.034 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.564 -6.291 0.569 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.825 -4.585 0.218 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.390 -3.838 0.472 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.865 -1.197 -1.869 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.117 -2.070 -0.510 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.806 -1.519 -0.393 1.00 0.00 H new ATOM 18 N SER A 2 7.250 -3.711 -0.399 1.00 0.00 N ATOM 19 CA SER A 2 8.291 -2.965 0.332 1.00 0.00 C ATOM 20 C SER A 2 7.712 -1.871 1.249 1.00 0.00 C ATOM 21 O SER A 2 6.637 -1.322 0.979 1.00 0.00 O ATOM 22 CB SER A 2 9.254 -2.335 -0.687 1.00 0.00 C ATOM 23 OG SER A 2 10.332 -1.671 -0.042 1.00 0.00 O ATOM 0 H SER A 2 6.848 -3.187 -1.176 1.00 0.00 H new ATOM 0 HA SER A 2 8.814 -3.670 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.645 -3.109 -1.347 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.711 -1.627 -1.313 1.00 0.00 H new ATOM 0 HG SER A 2 10.927 -1.283 -0.716 1.00 0.00 H new ATOM 29 N ALA A 3 8.451 -1.495 2.305 1.00 0.00 N ATOM 30 CA ALA A 3 8.204 -0.298 3.121 1.00 0.00 C ATOM 31 C ALA A 3 8.929 0.970 2.610 1.00 0.00 C ATOM 32 O ALA A 3 8.740 2.048 3.173 1.00 0.00 O ATOM 33 CB ALA A 3 8.597 -0.620 4.575 1.00 0.00 C ATOM 0 H ALA A 3 9.259 -2.031 2.622 1.00 0.00 H new ATOM 0 HA ALA A 3 7.144 -0.055 3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.422 0.255 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.995 -1.453 4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.652 -0.890 4.615 1.00 0.00 H new ATOM 39 N SER A 4 9.751 0.842 1.559 1.00 0.00 N ATOM 40 CA SER A 4 10.410 1.920 0.786 1.00 0.00 C ATOM 41 C SER A 4 11.645 2.509 1.502 1.00 0.00 C ATOM 42 O SER A 4 11.544 3.427 2.321 1.00 0.00 O ATOM 43 CB SER A 4 9.432 3.030 0.355 1.00 0.00 C ATOM 44 OG SER A 4 8.377 2.508 -0.449 1.00 0.00 O ATOM 0 H SER A 4 9.994 -0.080 1.196 1.00 0.00 H new ATOM 0 HA SER A 4 10.770 1.438 -0.123 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.014 3.512 1.239 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.971 3.796 -0.202 1.00 0.00 H new ATOM 0 HG SER A 4 7.771 3.234 -0.706 1.00 0.00 H new ATOM 50 N ALA A 5 12.840 2.013 1.149 1.00 0.00 N ATOM 51 CA ALA A 5 14.117 2.420 1.763 1.00 0.00 C ATOM 52 C ALA A 5 14.398 3.931 1.651 1.00 0.00 C ATOM 53 O ALA A 5 14.968 4.518 2.572 1.00 0.00 O ATOM 54 CB ALA A 5 15.238 1.603 1.094 1.00 0.00 C ATOM 0 H ALA A 5 12.950 1.309 0.420 1.00 0.00 H new ATOM 0 HA ALA A 5 14.066 2.218 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 5 16.199 1.881 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.060 0.540 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.249 1.809 0.024 1.00 0.00 H new ATOM 60 N GLN A 6 13.958 4.571 0.562 1.00 0.00 N ATOM 61 CA GLN A 6 14.137 6.011 0.330 1.00 0.00 C ATOM 62 C GLN A 6 13.340 6.884 1.317 1.00 0.00 C ATOM 63 O GLN A 6 13.772 7.992 1.622 1.00 0.00 O ATOM 64 CB GLN A 6 13.745 6.356 -1.118 1.00 0.00 C ATOM 65 CG GLN A 6 14.656 5.701 -2.171 1.00 0.00 C ATOM 66 CD GLN A 6 14.274 6.129 -3.590 1.00 0.00 C ATOM 67 OE1 GLN A 6 13.626 5.402 -4.336 1.00 0.00 O ATOM 68 NE2 GLN A 6 14.628 7.328 -4.016 1.00 0.00 N ATOM 0 H GLN A 6 13.461 4.099 -0.193 1.00 0.00 H new ATOM 0 HA GLN A 6 15.191 6.234 0.497 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.716 6.042 -1.293 1.00 0.00 H new ATOM 0 HB3 GLN A 6 13.774 7.438 -1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.693 5.973 -1.975 1.00 0.00 H new ATOM 0 HG3 GLN A 6 14.589 4.616 -2.087 1.00 0.00 H new ATOM 0 HE21 GLN A 6 15.167 7.946 -3.410 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.362 7.636 -4.951 1.00 0.00 H new ATOM 77 N GLN A 7 12.207 6.398 1.844 1.00 0.00 N ATOM 78 CA GLN A 7 11.423 7.116 2.860 1.00 0.00 C ATOM 79 C GLN A 7 12.018 6.907 4.259 1.00 0.00 C ATOM 80 O GLN A 7 12.017 7.826 5.079 1.00 0.00 O ATOM 81 CB GLN A 7 9.949 6.673 2.800 1.00 0.00 C ATOM 82 CG GLN A 7 9.275 7.059 1.471 1.00 0.00 C ATOM 83 CD GLN A 7 7.783 6.718 1.450 1.00 0.00 C ATOM 84 OE1 GLN A 7 7.339 5.769 0.811 1.00 0.00 O ATOM 85 NE2 GLN A 7 6.949 7.471 2.143 1.00 0.00 N ATOM 0 H GLN A 7 11.808 5.497 1.579 1.00 0.00 H new ATOM 0 HA GLN A 7 11.465 8.184 2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.891 5.593 2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 7 9.402 7.126 3.627 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.403 8.128 1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.774 6.543 0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.303 8.263 2.679 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.951 7.260 2.142 1.00 0.00 H new ATOM 94 N LEU A 8 12.575 5.719 4.529 1.00 0.00 N ATOM 95 CA LEU A 8 13.250 5.395 5.792 1.00 0.00 C ATOM 96 C LEU A 8 14.553 6.201 5.944 1.00 0.00 C ATOM 97 O LEU A 8 14.797 6.791 7.000 1.00 0.00 O ATOM 98 CB LEU A 8 13.439 3.864 5.824 1.00 0.00 C ATOM 99 CG LEU A 8 13.730 3.269 7.220 1.00 0.00 C ATOM 100 CD1 LEU A 8 13.244 1.815 7.287 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.222 3.295 7.570 1.00 0.00 C ATOM 0 H LEU A 8 12.569 4.944 3.866 1.00 0.00 H new ATOM 0 HA LEU A 8 12.655 5.685 6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.540 3.394 5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.259 3.601 5.156 1.00 0.00 H new ATOM 0 HG LEU A 8 13.196 3.890 7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.454 1.406 8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.170 1.781 7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.761 1.223 6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.371 2.866 8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.778 2.713 6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.579 4.325 7.563 1.00 0.00 H new ATOM 113 N ALA A 9 15.340 6.309 4.867 1.00 0.00 N ATOM 114 CA ALA A 9 16.615 7.034 4.816 1.00 0.00 C ATOM 115 C ALA A 9 16.506 8.535 5.139 1.00 0.00 C ATOM 116 O ALA A 9 17.474 9.120 5.638 1.00 0.00 O ATOM 117 CB ALA A 9 17.222 6.823 3.423 1.00 0.00 C ATOM 0 H ALA A 9 15.098 5.878 3.975 1.00 0.00 H new ATOM 0 HA ALA A 9 17.257 6.629 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.173 7.352 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.386 5.759 3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.539 7.208 2.666 1.00 0.00 H new ATOM 123 N GLU A 10 15.350 9.165 4.902 1.00 0.00 N ATOM 124 CA GLU A 10 15.116 10.574 5.254 1.00 0.00 C ATOM 125 C GLU A 10 15.145 10.816 6.771 1.00 0.00 C ATOM 126 O GLU A 10 15.572 11.885 7.209 1.00 0.00 O ATOM 127 CB GLU A 10 13.778 11.062 4.671 1.00 0.00 C ATOM 128 CG GLU A 10 13.801 11.216 3.141 1.00 0.00 C ATOM 129 CD GLU A 10 14.682 12.389 2.678 1.00 0.00 C ATOM 130 OE1 GLU A 10 14.205 13.550 2.691 1.00 0.00 O ATOM 131 OE2 GLU A 10 15.853 12.160 2.283 1.00 0.00 O ATOM 0 H GLU A 10 14.549 8.714 4.461 1.00 0.00 H new ATOM 0 HA GLU A 10 15.935 11.146 4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.992 10.359 4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.521 12.021 5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.167 10.292 2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.784 11.365 2.779 1.00 0.00 H new ATOM 138 N GLU A 11 14.746 9.831 7.581 1.00 0.00 N ATOM 139 CA GLU A 11 14.759 9.939 9.045 1.00 0.00 C ATOM 140 C GLU A 11 16.163 9.714 9.628 1.00 0.00 C ATOM 141 O GLU A 11 16.580 10.440 10.536 1.00 0.00 O ATOM 142 CB GLU A 11 13.757 8.944 9.655 1.00 0.00 C ATOM 143 CG GLU A 11 12.308 9.129 9.181 1.00 0.00 C ATOM 144 CD GLU A 11 11.746 10.513 9.547 1.00 0.00 C ATOM 145 OE1 GLU A 11 11.521 10.779 10.752 1.00 0.00 O ATOM 146 OE2 GLU A 11 11.509 11.335 8.630 1.00 0.00 O ATOM 0 H GLU A 11 14.404 8.933 7.240 1.00 0.00 H new ATOM 0 HA GLU A 11 14.462 10.955 9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.078 7.931 9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.786 9.038 10.741 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.262 8.995 8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.681 8.356 9.625 1.00 0.00 H new ATOM 153 N LEU A 12 16.932 8.760 9.082 1.00 0.00 N ATOM 154 CA LEU A 12 18.309 8.450 9.509 1.00 0.00 C ATOM 155 C LEU A 12 19.230 9.681 9.456 1.00 0.00 C ATOM 156 O LEU A 12 20.103 9.844 10.312 1.00 0.00 O ATOM 157 CB LEU A 12 18.880 7.327 8.615 1.00 0.00 C ATOM 158 CG LEU A 12 18.106 5.999 8.597 1.00 0.00 C ATOM 159 CD1 LEU A 12 18.810 5.009 7.662 1.00 0.00 C ATOM 160 CD2 LEU A 12 17.976 5.349 9.984 1.00 0.00 C ATOM 0 H LEU A 12 16.609 8.169 8.316 1.00 0.00 H new ATOM 0 HA LEU A 12 18.269 8.124 10.548 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.937 7.702 7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.901 7.122 8.937 1.00 0.00 H new ATOM 0 HG LEU A 12 17.100 6.234 8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.261 4.067 7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.845 5.422 6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 12 19.825 4.832 8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.419 4.416 9.898 1.00 0.00 H new ATOM 0 HD22 LEU A 12 18.969 5.143 10.384 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.448 6.026 10.655 1.00 0.00 H new ATOM 172 N GLN A 13 19.006 10.563 8.476 1.00 0.00 N ATOM 173 CA GLN A 13 19.762 11.803 8.267 1.00 0.00 C ATOM 174 C GLN A 13 19.460 12.881 9.330 1.00 0.00 C ATOM 175 O GLN A 13 20.264 13.798 9.501 1.00 0.00 O ATOM 176 CB GLN A 13 19.451 12.342 6.863 1.00 0.00 C ATOM 177 CG GLN A 13 20.056 11.482 5.739 1.00 0.00 C ATOM 178 CD GLN A 13 19.516 11.903 4.372 1.00 0.00 C ATOM 179 OE1 GLN A 13 20.030 12.802 3.713 1.00 0.00 O ATOM 180 NE2 GLN A 13 18.447 11.289 3.911 1.00 0.00 N ATOM 0 H GLN A 13 18.269 10.429 7.784 1.00 0.00 H new ATOM 0 HA GLN A 13 20.822 11.566 8.364 1.00 0.00 H new ATOM 0 HB2 GLN A 13 18.370 12.394 6.731 1.00 0.00 H new ATOM 0 HB3 GLN A 13 19.831 13.360 6.778 1.00 0.00 H new ATOM 0 HG2 GLN A 13 21.142 11.576 5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 13 19.826 10.432 5.917 1.00 0.00 H new ATOM 0 HE21 GLN A 13 18.015 10.541 4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 13 18.051 11.561 3.011 1.00 0.00 H new ATOM 189 N ILE A 14 18.338 12.799 10.062 1.00 0.00 N ATOM 190 CA ILE A 14 17.991 13.749 11.141 1.00 0.00 C ATOM 191 C ILE A 14 18.803 13.428 12.404 1.00 0.00 C ATOM 192 O ILE A 14 19.358 14.329 13.038 1.00 0.00 O ATOM 193 CB ILE A 14 16.468 13.709 11.438 1.00 0.00 C ATOM 194 CG1 ILE A 14 15.657 14.080 10.170 1.00 0.00 C ATOM 195 CG2 ILE A 14 16.099 14.643 12.608 1.00 0.00 C ATOM 196 CD1 ILE A 14 14.136 13.962 10.319 1.00 0.00 C ATOM 0 H ILE A 14 17.639 12.069 9.924 1.00 0.00 H new ATOM 0 HA ILE A 14 18.241 14.758 10.814 1.00 0.00 H new ATOM 0 HB ILE A 14 16.212 12.691 11.731 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.901 15.104 9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.978 13.437 9.350 1.00 0.00 H new ATOM 0 HG21 ILE A 14 15.026 14.591 12.790 1.00 0.00 H new ATOM 0 HG22 ILE A 14 16.635 14.332 13.505 1.00 0.00 H new ATOM 0 HG23 ILE A 14 16.376 15.667 12.357 1.00 0.00 H new ATOM 0 HD11 ILE A 14 13.656 14.242 9.381 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.874 12.934 10.568 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.796 14.626 11.113 1.00 0.00 H new ATOM 208 N PHE A 15 18.870 12.146 12.758 1.00 0.00 N ATOM 209 CA PHE A 15 19.448 11.652 14.014 1.00 0.00 C ATOM 210 C PHE A 15 20.937 11.262 13.899 1.00 0.00 C ATOM 211 O PHE A 15 21.562 10.935 14.909 1.00 0.00 O ATOM 212 CB PHE A 15 18.575 10.486 14.502 1.00 0.00 C ATOM 213 CG PHE A 15 17.109 10.854 14.665 1.00 0.00 C ATOM 214 CD1 PHE A 15 16.715 11.747 15.680 1.00 0.00 C ATOM 215 CD2 PHE A 15 16.140 10.325 13.787 1.00 0.00 C ATOM 216 CE1 PHE A 15 15.367 12.125 15.804 1.00 0.00 C ATOM 217 CE2 PHE A 15 14.792 10.700 13.915 1.00 0.00 C ATOM 218 CZ PHE A 15 14.404 11.605 14.922 1.00 0.00 C ATOM 0 H PHE A 15 18.514 11.397 12.164 1.00 0.00 H new ATOM 0 HA PHE A 15 19.445 12.459 14.746 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.658 9.660 13.796 1.00 0.00 H new ATOM 0 HB3 PHE A 15 18.960 10.129 15.457 1.00 0.00 H new ATOM 0 HD1 PHE A 15 17.450 12.142 16.365 1.00 0.00 H new ATOM 0 HD2 PHE A 15 16.435 9.630 13.015 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.070 12.817 16.579 1.00 0.00 H new ATOM 0 HE2 PHE A 15 14.053 10.294 13.241 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.369 11.899 15.016 1.00 0.00 H new ATOM 228 N GLY A 16 21.515 11.286 12.690 1.00 0.00 N ATOM 229 CA GLY A 16 22.929 10.971 12.433 1.00 0.00 C ATOM 230 C GLY A 16 23.224 9.464 12.403 1.00 0.00 C ATOM 231 O GLY A 16 24.335 9.052 12.741 1.00 0.00 O ATOM 0 H GLY A 16 21.001 11.531 11.843 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.224 11.410 11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 16 23.543 11.438 13.203 1.00 0.00 H new ATOM 235 N LEU A 17 22.238 8.644 12.028 1.00 0.00 N ATOM 236 CA LEU A 17 22.319 7.182 11.984 1.00 0.00 C ATOM 237 C LEU A 17 23.026 6.739 10.693 1.00 0.00 C ATOM 238 O LEU A 17 22.397 6.537 9.651 1.00 0.00 O ATOM 239 CB LEU A 17 20.900 6.595 12.123 1.00 0.00 C ATOM 240 CG LEU A 17 20.213 6.887 13.479 1.00 0.00 C ATOM 241 CD1 LEU A 17 18.732 6.492 13.408 1.00 0.00 C ATOM 242 CD2 LEU A 17 20.877 6.142 14.645 1.00 0.00 C ATOM 0 H LEU A 17 21.326 8.995 11.735 1.00 0.00 H new ATOM 0 HA LEU A 17 22.914 6.802 12.815 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.277 6.992 11.322 1.00 0.00 H new ATOM 0 HB3 LEU A 17 20.952 5.515 11.982 1.00 0.00 H new ATOM 0 HG LEU A 17 20.315 7.956 13.666 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.254 6.700 14.365 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.239 7.067 12.624 1.00 0.00 H new ATOM 0 HD13 LEU A 17 18.649 5.428 13.184 1.00 0.00 H new ATOM 0 HD21 LEU A 17 20.357 6.381 15.573 1.00 0.00 H new ATOM 0 HD22 LEU A 17 20.826 5.068 14.467 1.00 0.00 H new ATOM 0 HD23 LEU A 17 21.920 6.447 14.725 1.00 0.00 H new ATOM 254 N ASP A 18 24.354 6.623 10.744 1.00 0.00 N ATOM 255 CA ASP A 18 25.186 6.275 9.582 1.00 0.00 C ATOM 256 C ASP A 18 25.056 4.784 9.199 1.00 0.00 C ATOM 257 O ASP A 18 25.536 3.900 9.918 1.00 0.00 O ATOM 258 CB ASP A 18 26.639 6.697 9.838 1.00 0.00 C ATOM 259 CG ASP A 18 27.555 6.382 8.647 1.00 0.00 C ATOM 260 OD1 ASP A 18 27.282 6.898 7.538 1.00 0.00 O ATOM 261 OD2 ASP A 18 28.548 5.636 8.817 1.00 0.00 O ATOM 0 H ASP A 18 24.891 6.769 11.599 1.00 0.00 H new ATOM 0 HA ASP A 18 24.823 6.829 8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 18 26.673 7.766 10.047 1.00 0.00 H new ATOM 0 HB3 ASP A 18 27.012 6.187 10.726 1.00 0.00 H new ATOM 266 N CYS A 19 24.424 4.536 8.043 1.00 0.00 N ATOM 267 CA CYS A 19 24.147 3.222 7.448 1.00 0.00 C ATOM 268 C CYS A 19 24.482 3.226 5.941 1.00 0.00 C ATOM 269 O CYS A 19 24.219 4.210 5.244 1.00 0.00 O ATOM 270 CB CYS A 19 22.654 2.890 7.641 1.00 0.00 C ATOM 271 SG CYS A 19 22.272 2.500 9.374 1.00 0.00 S ATOM 0 H CYS A 19 24.070 5.296 7.462 1.00 0.00 H new ATOM 0 HA CYS A 19 24.767 2.471 7.939 1.00 0.00 H new ATOM 0 HB2 CYS A 19 22.048 3.736 7.316 1.00 0.00 H new ATOM 0 HB3 CYS A 19 22.385 2.043 7.009 1.00 0.00 H new ATOM 0 HG CYS A 19 21.006 2.230 9.489 1.00 0.00 H new ATOM 277 N GLU A 20 24.984 2.104 5.420 1.00 0.00 N ATOM 278 CA GLU A 20 24.968 1.809 3.978 1.00 0.00 C ATOM 279 C GLU A 20 23.594 1.293 3.536 1.00 0.00 C ATOM 280 O GLU A 20 22.803 0.845 4.367 1.00 0.00 O ATOM 281 CB GLU A 20 26.076 0.810 3.597 1.00 0.00 C ATOM 282 CG GLU A 20 26.005 -0.562 4.275 1.00 0.00 C ATOM 283 CD GLU A 20 27.158 -1.458 3.805 1.00 0.00 C ATOM 284 OE1 GLU A 20 27.081 -2.014 2.682 1.00 0.00 O ATOM 285 OE2 GLU A 20 28.156 -1.610 4.550 1.00 0.00 O ATOM 0 H GLU A 20 25.415 1.371 5.984 1.00 0.00 H new ATOM 0 HA GLU A 20 25.165 2.742 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.049 0.662 2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 20 27.040 1.260 3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 20 26.049 -0.441 5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 20 25.051 -1.038 4.046 1.00 0.00 H new ATOM 292 N GLU A 21 23.325 1.292 2.227 1.00 0.00 N ATOM 293 CA GLU A 21 22.062 0.822 1.642 1.00 0.00 C ATOM 294 C GLU A 21 21.666 -0.583 2.135 1.00 0.00 C ATOM 295 O GLU A 21 20.490 -0.812 2.429 1.00 0.00 O ATOM 296 CB GLU A 21 22.183 0.860 0.108 1.00 0.00 C ATOM 297 CG GLU A 21 20.876 0.507 -0.616 1.00 0.00 C ATOM 298 CD GLU A 21 21.037 0.669 -2.135 1.00 0.00 C ATOM 299 OE1 GLU A 21 21.586 -0.242 -2.800 1.00 0.00 O ATOM 300 OE2 GLU A 21 20.601 1.709 -2.683 1.00 0.00 O ATOM 0 H GLU A 21 23.991 1.624 1.529 1.00 0.00 H new ATOM 0 HA GLU A 21 21.263 1.487 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.502 1.856 -0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 21 22.962 0.165 -0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.591 -0.519 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.072 1.151 -0.260 1.00 0.00 H new ATOM 307 N ALA A 22 22.632 -1.497 2.308 1.00 0.00 N ATOM 308 CA ALA A 22 22.372 -2.842 2.824 1.00 0.00 C ATOM 309 C ALA A 22 21.867 -2.859 4.281 1.00 0.00 C ATOM 310 O ALA A 22 21.099 -3.749 4.655 1.00 0.00 O ATOM 311 CB ALA A 22 23.654 -3.671 2.666 1.00 0.00 C ATOM 0 H ALA A 22 23.614 -1.321 2.093 1.00 0.00 H new ATOM 0 HA ALA A 22 21.559 -3.278 2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 22 23.484 -4.679 3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.928 -3.720 1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 22 24.462 -3.203 3.229 1.00 0.00 H new ATOM 317 N LEU A 23 22.254 -1.864 5.092 1.00 0.00 N ATOM 318 CA LEU A 23 21.773 -1.691 6.466 1.00 0.00 C ATOM 319 C LEU A 23 20.482 -0.864 6.527 1.00 0.00 C ATOM 320 O LEU A 23 19.670 -1.106 7.413 1.00 0.00 O ATOM 321 CB LEU A 23 22.880 -1.065 7.341 1.00 0.00 C ATOM 322 CG LEU A 23 24.194 -1.874 7.410 1.00 0.00 C ATOM 323 CD1 LEU A 23 25.159 -1.167 8.370 1.00 0.00 C ATOM 324 CD2 LEU A 23 23.996 -3.332 7.840 1.00 0.00 C ATOM 0 H LEU A 23 22.920 -1.147 4.805 1.00 0.00 H new ATOM 0 HA LEU A 23 21.530 -2.677 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 23 23.104 -0.069 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.495 -0.939 8.353 1.00 0.00 H new ATOM 0 HG LEU A 23 24.605 -1.913 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.091 -1.729 8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.364 -0.161 8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.709 -1.109 9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.961 -3.838 7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 23 23.544 -3.361 8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 23 23.342 -3.836 7.128 1.00 0.00 H new ATOM 336 N ILE A 24 20.231 0.042 5.577 1.00 0.00 N ATOM 337 CA ILE A 24 18.929 0.728 5.426 1.00 0.00 C ATOM 338 C ILE A 24 17.837 -0.287 5.048 1.00 0.00 C ATOM 339 O ILE A 24 16.776 -0.330 5.677 1.00 0.00 O ATOM 340 CB ILE A 24 19.032 1.883 4.396 1.00 0.00 C ATOM 341 CG1 ILE A 24 20.086 2.921 4.852 1.00 0.00 C ATOM 342 CG2 ILE A 24 17.665 2.580 4.207 1.00 0.00 C ATOM 343 CD1 ILE A 24 20.329 4.070 3.868 1.00 0.00 C ATOM 0 H ILE A 24 20.924 0.327 4.884 1.00 0.00 H new ATOM 0 HA ILE A 24 18.650 1.175 6.380 1.00 0.00 H new ATOM 0 HB ILE A 24 19.339 1.454 3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 24 19.771 3.341 5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.030 2.405 5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.765 3.386 3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.934 1.856 3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 24 17.331 2.991 5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 24 21.082 4.744 4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.678 3.667 2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.399 4.617 3.711 1.00 0.00 H new ATOM 355 N GLU A 25 18.114 -1.151 4.067 1.00 0.00 N ATOM 356 CA GLU A 25 17.211 -2.231 3.658 1.00 0.00 C ATOM 357 C GLU A 25 16.956 -3.240 4.792 1.00 0.00 C ATOM 358 O GLU A 25 15.863 -3.804 4.863 1.00 0.00 O ATOM 359 CB GLU A 25 17.761 -2.945 2.414 1.00 0.00 C ATOM 360 CG GLU A 25 17.631 -2.089 1.142 1.00 0.00 C ATOM 361 CD GLU A 25 18.103 -2.816 -0.126 1.00 0.00 C ATOM 362 OE1 GLU A 25 18.966 -3.728 -0.056 1.00 0.00 O ATOM 363 OE2 GLU A 25 17.615 -2.477 -1.232 1.00 0.00 O ATOM 0 H GLU A 25 18.980 -1.120 3.529 1.00 0.00 H new ATOM 0 HA GLU A 25 16.251 -1.776 3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 25 18.810 -3.194 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.228 -3.885 2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.590 -1.792 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.211 -1.174 1.266 1.00 0.00 H new ATOM 370 N LYS A 26 17.887 -3.434 5.734 1.00 0.00 N ATOM 371 CA LYS A 26 17.659 -4.305 6.895 1.00 0.00 C ATOM 372 C LYS A 26 16.466 -3.844 7.750 1.00 0.00 C ATOM 373 O LYS A 26 15.684 -4.682 8.195 1.00 0.00 O ATOM 374 CB LYS A 26 18.969 -4.469 7.695 1.00 0.00 C ATOM 375 CG LYS A 26 18.861 -5.363 8.939 1.00 0.00 C ATOM 376 CD LYS A 26 18.402 -6.805 8.674 1.00 0.00 C ATOM 377 CE LYS A 26 18.308 -7.538 10.018 1.00 0.00 C ATOM 378 NZ LYS A 26 17.872 -8.948 9.862 1.00 0.00 N ATOM 0 H LYS A 26 18.809 -2.998 5.715 1.00 0.00 H new ATOM 0 HA LYS A 26 17.372 -5.294 6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.731 -4.882 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.315 -3.482 8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 26 19.834 -5.393 9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.165 -4.901 9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.435 -6.809 8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.106 -7.312 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.280 -7.513 10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.607 -7.013 10.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.484 -9.293 10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.140 -9.006 9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.686 -9.535 9.588 1.00 0.00 H new ATOM 392 N LEU A 27 16.253 -2.531 7.929 1.00 0.00 N ATOM 393 CA LEU A 27 15.069 -2.018 8.630 1.00 0.00 C ATOM 394 C LEU A 27 13.800 -2.135 7.778 1.00 0.00 C ATOM 395 O LEU A 27 12.749 -2.453 8.326 1.00 0.00 O ATOM 396 CB LEU A 27 15.273 -0.569 9.110 1.00 0.00 C ATOM 397 CG LEU A 27 16.293 -0.318 10.242 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.111 -1.261 11.446 1.00 0.00 C ATOM 399 CD2 LEU A 27 17.730 -0.394 9.719 1.00 0.00 C ATOM 0 H LEU A 27 16.888 -1.805 7.597 1.00 0.00 H new ATOM 0 HA LEU A 27 14.934 -2.647 9.510 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.575 0.029 8.250 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.307 -0.187 9.440 1.00 0.00 H new ATOM 0 HG LEU A 27 16.097 0.692 10.601 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.859 -1.031 12.205 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.114 -1.126 11.867 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.230 -2.294 11.120 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.426 -0.213 10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.913 -1.383 9.300 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.876 0.360 8.946 1.00 0.00 H new ATOM 411 N VAL A 28 13.892 -1.980 6.454 1.00 0.00 N ATOM 412 CA VAL A 28 12.771 -2.240 5.524 1.00 0.00 C ATOM 413 C VAL A 28 12.295 -3.694 5.649 1.00 0.00 C ATOM 414 O VAL A 28 11.094 -3.928 5.764 1.00 0.00 O ATOM 415 CB VAL A 28 13.131 -1.897 4.058 1.00 0.00 C ATOM 416 CG1 VAL A 28 12.055 -2.313 3.043 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.377 -0.387 3.913 1.00 0.00 C ATOM 0 H VAL A 28 14.745 -1.670 5.988 1.00 0.00 H new ATOM 0 HA VAL A 28 11.953 -1.579 5.809 1.00 0.00 H new ATOM 0 HB VAL A 28 14.032 -2.469 3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.378 -2.040 2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.903 -3.391 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.120 -1.803 3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.629 -0.157 2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.476 0.157 4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.200 -0.089 4.562 1.00 0.00 H new ATOM 427 N GLU A 29 13.219 -4.664 5.714 1.00 0.00 N ATOM 428 CA GLU A 29 12.874 -6.071 5.975 1.00 0.00 C ATOM 429 C GLU A 29 12.120 -6.250 7.305 1.00 0.00 C ATOM 430 O GLU A 29 11.114 -6.961 7.324 1.00 0.00 O ATOM 431 CB GLU A 29 14.126 -6.966 5.955 1.00 0.00 C ATOM 432 CG GLU A 29 14.727 -7.138 4.557 1.00 0.00 C ATOM 433 CD GLU A 29 15.905 -8.119 4.587 1.00 0.00 C ATOM 434 OE1 GLU A 29 17.012 -7.738 5.032 1.00 0.00 O ATOM 435 OE2 GLU A 29 15.732 -9.290 4.164 1.00 0.00 O ATOM 0 H GLU A 29 14.218 -4.499 5.589 1.00 0.00 H new ATOM 0 HA GLU A 29 12.207 -6.379 5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.880 -6.539 6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.869 -7.947 6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.963 -7.502 3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.062 -6.172 4.179 1.00 0.00 H new ATOM 442 N LEU A 30 12.525 -5.567 8.388 1.00 0.00 N ATOM 443 CA LEU A 30 11.776 -5.594 9.655 1.00 0.00 C ATOM 444 C LEU A 30 10.382 -4.974 9.500 1.00 0.00 C ATOM 445 O LEU A 30 9.407 -5.585 9.928 1.00 0.00 O ATOM 446 CB LEU A 30 12.543 -4.914 10.809 1.00 0.00 C ATOM 447 CG LEU A 30 13.956 -5.438 11.119 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.410 -4.885 12.477 1.00 0.00 C ATOM 449 CD2 LEU A 30 14.067 -6.970 11.113 1.00 0.00 C ATOM 0 H LEU A 30 13.366 -4.990 8.412 1.00 0.00 H new ATOM 0 HA LEU A 30 11.658 -6.646 9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.619 -3.850 10.583 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.943 -5.006 11.714 1.00 0.00 H new ATOM 0 HG LEU A 30 14.606 -5.088 10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.411 -5.252 12.703 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.423 -3.796 12.440 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.719 -5.214 13.253 1.00 0.00 H new ATOM 0 HD21 LEU A 30 15.093 -7.261 11.340 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.397 -7.386 11.865 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.791 -7.351 10.130 1.00 0.00 H new ATOM 461 N CYS A 31 10.243 -3.805 8.864 1.00 0.00 N ATOM 462 CA CYS A 31 8.946 -3.163 8.630 1.00 0.00 C ATOM 463 C CYS A 31 7.970 -4.082 7.876 1.00 0.00 C ATOM 464 O CYS A 31 6.787 -4.138 8.213 1.00 0.00 O ATOM 465 CB CYS A 31 9.161 -1.849 7.861 1.00 0.00 C ATOM 466 SG CYS A 31 10.010 -0.640 8.910 1.00 0.00 S ATOM 0 H CYS A 31 11.033 -3.275 8.495 1.00 0.00 H new ATOM 0 HA CYS A 31 8.492 -2.952 9.598 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.748 -2.037 6.962 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.201 -1.448 7.536 1.00 0.00 H new ATOM 0 HG CYS A 31 11.268 -0.954 9.004 1.00 0.00 H new ATOM 472 N VAL A 32 8.478 -4.823 6.891 1.00 0.00 N ATOM 473 CA VAL A 32 7.708 -5.760 6.054 1.00 0.00 C ATOM 474 C VAL A 32 7.372 -7.056 6.818 1.00 0.00 C ATOM 475 O VAL A 32 6.236 -7.531 6.737 1.00 0.00 O ATOM 476 CB VAL A 32 8.459 -6.056 4.730 1.00 0.00 C ATOM 477 CG1 VAL A 32 7.809 -7.183 3.905 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.519 -4.779 3.867 1.00 0.00 C ATOM 0 H VAL A 32 9.466 -4.791 6.641 1.00 0.00 H new ATOM 0 HA VAL A 32 6.760 -5.284 5.802 1.00 0.00 H new ATOM 0 HB VAL A 32 9.459 -6.387 5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.382 -7.342 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.798 -8.102 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.787 -6.903 3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.048 -4.992 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.506 -4.445 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.045 -3.996 4.412 1.00 0.00 H new ATOM 488 N GLN A 33 8.322 -7.619 7.577 1.00 0.00 N ATOM 489 CA GLN A 33 8.119 -8.853 8.350 1.00 0.00 C ATOM 490 C GLN A 33 7.158 -8.646 9.536 1.00 0.00 C ATOM 491 O GLN A 33 6.302 -9.494 9.790 1.00 0.00 O ATOM 492 CB GLN A 33 9.491 -9.363 8.828 1.00 0.00 C ATOM 493 CG GLN A 33 9.472 -10.607 9.735 1.00 0.00 C ATOM 494 CD GLN A 33 8.885 -11.853 9.068 1.00 0.00 C ATOM 495 OE1 GLN A 33 9.591 -12.724 8.564 1.00 0.00 O ATOM 496 NE2 GLN A 33 7.574 -12.003 9.039 1.00 0.00 N ATOM 0 H GLN A 33 9.259 -7.229 7.673 1.00 0.00 H new ATOM 0 HA GLN A 33 7.649 -9.598 7.707 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.098 -9.587 7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.990 -8.555 9.364 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.490 -10.825 10.057 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.895 -10.382 10.632 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.970 -11.292 9.452 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.165 -12.830 8.604 1.00 0.00 H new ATOM 505 N TYR A 34 7.302 -7.542 10.269 1.00 0.00 N ATOM 506 CA TYR A 34 6.508 -7.237 11.469 1.00 0.00 C ATOM 507 C TYR A 34 5.192 -6.501 11.148 1.00 0.00 C ATOM 508 O TYR A 34 4.288 -6.473 11.987 1.00 0.00 O ATOM 509 CB TYR A 34 7.380 -6.443 12.462 1.00 0.00 C ATOM 510 CG TYR A 34 8.414 -7.287 13.196 1.00 0.00 C ATOM 511 CD1 TYR A 34 9.584 -7.732 12.551 1.00 0.00 C ATOM 512 CD2 TYR A 34 8.176 -7.656 14.534 1.00 0.00 C ATOM 513 CE1 TYR A 34 10.506 -8.559 13.224 1.00 0.00 C ATOM 514 CE2 TYR A 34 9.089 -8.481 15.215 1.00 0.00 C ATOM 515 CZ TYR A 34 10.257 -8.945 14.561 1.00 0.00 C ATOM 516 OH TYR A 34 11.133 -9.739 15.238 1.00 0.00 O ATOM 0 H TYR A 34 7.985 -6.818 10.045 1.00 0.00 H new ATOM 0 HA TYR A 34 6.206 -8.180 11.925 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.893 -5.647 11.922 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.732 -5.964 13.195 1.00 0.00 H new ATOM 0 HD1 TYR A 34 9.777 -7.437 11.530 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.289 -7.304 15.039 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.400 -8.897 12.720 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.899 -8.762 16.240 1.00 0.00 H new ATOM 0 HH TYR A 34 10.796 -9.899 16.144 1.00 0.00 H new ATOM 526 N GLY A 35 5.059 -5.916 9.946 1.00 0.00 N ATOM 527 CA GLY A 35 3.876 -5.147 9.525 1.00 0.00 C ATOM 528 C GLY A 35 3.786 -3.808 10.264 1.00 0.00 C ATOM 529 O GLY A 35 2.720 -3.437 10.758 1.00 0.00 O ATOM 0 H GLY A 35 5.782 -5.965 9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.920 -4.969 8.451 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.975 -5.730 9.715 1.00 0.00 H new ATOM 533 N GLN A 36 4.924 -3.121 10.395 1.00 0.00 N ATOM 534 CA GLN A 36 5.142 -2.004 11.320 1.00 0.00 C ATOM 535 C GLN A 36 5.704 -0.783 10.574 1.00 0.00 C ATOM 536 O GLN A 36 6.573 -0.913 9.713 1.00 0.00 O ATOM 537 CB GLN A 36 6.096 -2.500 12.425 1.00 0.00 C ATOM 538 CG GLN A 36 6.583 -1.440 13.425 1.00 0.00 C ATOM 539 CD GLN A 36 5.466 -0.675 14.127 1.00 0.00 C ATOM 540 OE1 GLN A 36 4.527 -1.241 14.673 1.00 0.00 O ATOM 541 NE2 GLN A 36 5.497 0.643 14.110 1.00 0.00 N ATOM 0 H GLN A 36 5.751 -3.335 9.838 1.00 0.00 H new ATOM 0 HA GLN A 36 4.203 -1.679 11.769 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.594 -3.291 12.982 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.968 -2.949 11.949 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.203 -1.926 14.178 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.220 -0.728 12.900 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.272 1.129 13.659 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.746 1.176 14.548 1.00 0.00 H new ATOM 550 N ASN A 37 5.239 0.418 10.943 1.00 0.00 N ATOM 551 CA ASN A 37 5.739 1.684 10.409 1.00 0.00 C ATOM 552 C ASN A 37 7.204 1.966 10.814 1.00 0.00 C ATOM 553 O ASN A 37 7.608 1.734 11.965 1.00 0.00 O ATOM 554 CB ASN A 37 4.802 2.808 10.868 1.00 0.00 C ATOM 555 CG ASN A 37 5.195 4.154 10.273 1.00 0.00 C ATOM 556 OD1 ASN A 37 6.110 4.811 10.753 1.00 0.00 O ATOM 557 ND2 ASN A 37 4.554 4.587 9.204 1.00 0.00 N ATOM 0 H ASN A 37 4.495 0.535 11.631 1.00 0.00 H new ATOM 0 HA ASN A 37 5.745 1.626 9.321 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.779 2.568 10.579 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.819 2.873 11.956 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.820 5.473 8.774 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.792 4.036 8.808 1.00 0.00 H new ATOM 564 N GLU A 38 7.982 2.523 9.882 1.00 0.00 N ATOM 565 CA GLU A 38 9.422 2.770 9.999 1.00 0.00 C ATOM 566 C GLU A 38 9.834 3.759 11.100 1.00 0.00 C ATOM 567 O GLU A 38 10.968 3.686 11.573 1.00 0.00 O ATOM 568 CB GLU A 38 9.995 3.192 8.628 1.00 0.00 C ATOM 569 CG GLU A 38 9.547 4.556 8.067 1.00 0.00 C ATOM 570 CD GLU A 38 8.078 4.644 7.601 1.00 0.00 C ATOM 571 OE1 GLU A 38 7.431 3.594 7.366 1.00 0.00 O ATOM 572 OE2 GLU A 38 7.562 5.778 7.467 1.00 0.00 O ATOM 0 H GLU A 38 7.608 2.828 8.984 1.00 0.00 H new ATOM 0 HA GLU A 38 9.857 1.822 10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.082 3.199 8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.731 2.424 7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.711 5.314 8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.191 4.810 7.225 1.00 0.00 H new ATOM 579 N GLU A 39 8.938 4.634 11.573 1.00 0.00 N ATOM 580 CA GLU A 39 9.214 5.519 12.715 1.00 0.00 C ATOM 581 C GLU A 39 9.472 4.739 14.019 1.00 0.00 C ATOM 582 O GLU A 39 10.159 5.246 14.905 1.00 0.00 O ATOM 583 CB GLU A 39 8.064 6.524 12.911 1.00 0.00 C ATOM 584 CG GLU A 39 7.953 7.543 11.772 1.00 0.00 C ATOM 585 CD GLU A 39 6.847 8.574 12.057 1.00 0.00 C ATOM 586 OE1 GLU A 39 7.097 9.532 12.831 1.00 0.00 O ATOM 587 OE2 GLU A 39 5.723 8.448 11.507 1.00 0.00 O ATOM 0 H GLU A 39 8.005 4.749 11.178 1.00 0.00 H new ATOM 0 HA GLU A 39 10.129 6.062 12.480 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.124 5.979 12.995 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.210 7.055 13.852 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.907 8.055 11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.740 7.026 10.837 1.00 0.00 H new ATOM 594 N GLY A 40 8.997 3.488 14.126 1.00 0.00 N ATOM 595 CA GLY A 40 9.349 2.570 15.218 1.00 0.00 C ATOM 596 C GLY A 40 10.741 1.980 15.016 1.00 0.00 C ATOM 597 O GLY A 40 11.584 2.063 15.911 1.00 0.00 O ATOM 0 H GLY A 40 8.351 3.082 13.449 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.311 3.101 16.169 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.615 1.766 15.272 1.00 0.00 H new ATOM 601 N MET A 41 11.010 1.438 13.820 1.00 0.00 N ATOM 602 CA MET A 41 12.301 0.831 13.456 1.00 0.00 C ATOM 603 C MET A 41 13.462 1.836 13.506 1.00 0.00 C ATOM 604 O MET A 41 14.552 1.468 13.937 1.00 0.00 O ATOM 605 CB MET A 41 12.217 0.170 12.064 1.00 0.00 C ATOM 606 CG MET A 41 11.678 -1.268 12.126 1.00 0.00 C ATOM 607 SD MET A 41 10.005 -1.447 12.803 1.00 0.00 S ATOM 608 CE MET A 41 9.857 -3.248 12.729 1.00 0.00 C ATOM 0 H MET A 41 10.326 1.408 13.064 1.00 0.00 H new ATOM 0 HA MET A 41 12.512 0.065 14.203 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.573 0.768 11.420 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.207 0.164 11.608 1.00 0.00 H new ATOM 0 HG2 MET A 41 11.690 -1.686 11.119 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.361 -1.868 12.728 1.00 0.00 H new ATOM 0 HE1 MET A 41 8.983 -3.565 13.298 1.00 0.00 H new ATOM 0 HE2 MET A 41 9.748 -3.562 11.691 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.751 -3.704 13.154 1.00 0.00 H new ATOM 618 N VAL A 42 13.240 3.090 13.107 1.00 0.00 N ATOM 619 CA VAL A 42 14.233 4.175 13.231 1.00 0.00 C ATOM 620 C VAL A 42 14.269 4.735 14.663 1.00 0.00 C ATOM 621 O VAL A 42 15.352 4.932 15.206 1.00 0.00 O ATOM 622 CB VAL A 42 13.974 5.311 12.212 1.00 0.00 C ATOM 623 CG1 VAL A 42 14.942 6.488 12.427 1.00 0.00 C ATOM 624 CG2 VAL A 42 14.141 4.798 10.769 1.00 0.00 C ATOM 0 H VAL A 42 12.361 3.390 12.685 1.00 0.00 H new ATOM 0 HA VAL A 42 15.208 3.742 13.006 1.00 0.00 H new ATOM 0 HB VAL A 42 12.951 5.653 12.369 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.734 7.269 11.695 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.811 6.888 13.432 1.00 0.00 H new ATOM 0 HG13 VAL A 42 15.968 6.142 12.306 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.954 5.613 10.069 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.156 4.426 10.630 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.431 3.992 10.585 1.00 0.00 H new ATOM 634 N GLY A 43 13.113 4.989 15.290 1.00 0.00 N ATOM 635 CA GLY A 43 13.026 5.710 16.568 1.00 0.00 C ATOM 636 C GLY A 43 13.525 4.916 17.773 1.00 0.00 C ATOM 637 O GLY A 43 14.285 5.442 18.587 1.00 0.00 O ATOM 0 H GLY A 43 12.207 4.699 14.923 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.602 6.632 16.491 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.988 5.996 16.741 1.00 0.00 H new ATOM 641 N GLU A 44 13.143 3.640 17.881 1.00 0.00 N ATOM 642 CA GLU A 44 13.523 2.782 19.016 1.00 0.00 C ATOM 643 C GLU A 44 14.983 2.293 18.928 1.00 0.00 C ATOM 644 O GLU A 44 15.598 1.970 19.948 1.00 0.00 O ATOM 645 CB GLU A 44 12.547 1.600 19.134 1.00 0.00 C ATOM 646 CG GLU A 44 11.080 2.028 19.306 1.00 0.00 C ATOM 647 CD GLU A 44 10.815 2.936 20.527 1.00 0.00 C ATOM 648 OE1 GLU A 44 11.471 2.783 21.584 1.00 0.00 O ATOM 649 OE2 GLU A 44 9.922 3.815 20.440 1.00 0.00 O ATOM 0 H GLU A 44 12.562 3.170 17.187 1.00 0.00 H new ATOM 0 HA GLU A 44 13.458 3.388 19.920 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.633 0.978 18.243 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.839 0.982 19.983 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.759 2.550 18.405 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.462 1.134 19.393 1.00 0.00 H new ATOM 656 N LEU A 45 15.557 2.285 17.720 1.00 0.00 N ATOM 657 CA LEU A 45 16.969 1.971 17.464 1.00 0.00 C ATOM 658 C LEU A 45 17.927 3.035 18.034 1.00 0.00 C ATOM 659 O LEU A 45 19.053 2.708 18.403 1.00 0.00 O ATOM 660 CB LEU A 45 17.119 1.806 15.937 1.00 0.00 C ATOM 661 CG LEU A 45 18.531 1.516 15.404 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.065 0.156 15.888 1.00 0.00 C ATOM 663 CD2 LEU A 45 18.461 1.548 13.869 1.00 0.00 C ATOM 0 H LEU A 45 15.039 2.503 16.869 1.00 0.00 H new ATOM 0 HA LEU A 45 17.249 1.051 17.978 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.463 0.996 15.617 1.00 0.00 H new ATOM 0 HB3 LEU A 45 16.757 2.717 15.460 1.00 0.00 H new ATOM 0 HG LEU A 45 19.222 2.270 15.782 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.065 -0.006 15.486 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.105 0.148 16.977 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.403 -0.638 15.544 1.00 0.00 H new ATOM 0 HD21 LEU A 45 19.449 1.346 13.455 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.760 0.790 13.521 1.00 0.00 H new ATOM 0 HD23 LEU A 45 18.125 2.531 13.541 1.00 0.00 H new ATOM 675 N ILE A 46 17.497 4.299 18.133 1.00 0.00 N ATOM 676 CA ILE A 46 18.318 5.400 18.676 1.00 0.00 C ATOM 677 C ILE A 46 18.736 5.112 20.121 1.00 0.00 C ATOM 678 O ILE A 46 19.902 5.292 20.459 1.00 0.00 O ATOM 679 CB ILE A 46 17.575 6.753 18.557 1.00 0.00 C ATOM 680 CG1 ILE A 46 17.433 7.129 17.065 1.00 0.00 C ATOM 681 CG2 ILE A 46 18.300 7.888 19.311 1.00 0.00 C ATOM 682 CD1 ILE A 46 16.391 8.213 16.810 1.00 0.00 C ATOM 0 H ILE A 46 16.566 4.593 17.838 1.00 0.00 H new ATOM 0 HA ILE A 46 19.228 5.471 18.081 1.00 0.00 H new ATOM 0 HB ILE A 46 16.593 6.633 19.015 1.00 0.00 H new ATOM 0 HG12 ILE A 46 18.399 7.468 16.690 1.00 0.00 H new ATOM 0 HG13 ILE A 46 17.166 6.238 16.497 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.740 8.816 19.197 1.00 0.00 H new ATOM 0 HG22 ILE A 46 18.371 7.634 20.369 1.00 0.00 H new ATOM 0 HG23 ILE A 46 19.301 8.016 18.900 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.343 8.428 15.742 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.416 7.869 17.155 1.00 0.00 H new ATOM 0 HD13 ILE A 46 16.668 9.118 17.350 1.00 0.00 H new ATOM 694 N ALA A 47 17.818 4.607 20.952 1.00 0.00 N ATOM 695 CA ALA A 47 18.105 4.247 22.344 1.00 0.00 C ATOM 696 C ALA A 47 19.223 3.192 22.452 1.00 0.00 C ATOM 697 O ALA A 47 20.114 3.328 23.292 1.00 0.00 O ATOM 698 CB ALA A 47 16.803 3.769 23.000 1.00 0.00 C ATOM 0 H ALA A 47 16.851 4.436 20.676 1.00 0.00 H new ATOM 0 HA ALA A 47 18.478 5.125 22.872 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.997 3.496 24.037 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.064 4.569 22.967 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.422 2.901 22.462 1.00 0.00 H new ATOM 704 N PHE A 48 19.220 2.194 21.562 1.00 0.00 N ATOM 705 CA PHE A 48 20.265 1.170 21.490 1.00 0.00 C ATOM 706 C PHE A 48 21.621 1.780 21.079 1.00 0.00 C ATOM 707 O PHE A 48 22.619 1.558 21.767 1.00 0.00 O ATOM 708 CB PHE A 48 19.795 0.051 20.542 1.00 0.00 C ATOM 709 CG PHE A 48 20.685 -1.176 20.397 1.00 0.00 C ATOM 710 CD1 PHE A 48 21.559 -1.596 21.423 1.00 0.00 C ATOM 711 CD2 PHE A 48 20.582 -1.950 19.221 1.00 0.00 C ATOM 712 CE1 PHE A 48 22.330 -2.761 21.270 1.00 0.00 C ATOM 713 CE2 PHE A 48 21.351 -3.120 19.073 1.00 0.00 C ATOM 714 CZ PHE A 48 22.227 -3.524 20.096 1.00 0.00 C ATOM 0 H PHE A 48 18.485 2.074 20.865 1.00 0.00 H new ATOM 0 HA PHE A 48 20.430 0.735 22.476 1.00 0.00 H new ATOM 0 HB2 PHE A 48 18.814 -0.284 20.880 1.00 0.00 H new ATOM 0 HB3 PHE A 48 19.660 0.486 19.552 1.00 0.00 H new ATOM 0 HD1 PHE A 48 21.636 -1.018 22.332 1.00 0.00 H new ATOM 0 HD2 PHE A 48 19.911 -1.644 18.432 1.00 0.00 H new ATOM 0 HE1 PHE A 48 23.003 -3.070 22.057 1.00 0.00 H new ATOM 0 HE2 PHE A 48 21.268 -3.709 18.171 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.819 -4.419 19.979 1.00 0.00 H new ATOM 724 N CYS A 49 21.653 2.608 20.025 1.00 0.00 N ATOM 725 CA CYS A 49 22.863 3.322 19.583 1.00 0.00 C ATOM 726 C CYS A 49 23.414 4.305 20.637 1.00 0.00 C ATOM 727 O CYS A 49 24.635 4.437 20.783 1.00 0.00 O ATOM 728 CB CYS A 49 22.559 4.031 18.252 1.00 0.00 C ATOM 729 SG CYS A 49 22.207 2.805 16.960 1.00 0.00 S ATOM 0 H CYS A 49 20.834 2.804 19.450 1.00 0.00 H new ATOM 0 HA CYS A 49 23.656 2.588 19.442 1.00 0.00 H new ATOM 0 HB2 CYS A 49 21.706 4.699 18.373 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.408 4.648 17.957 1.00 0.00 H new ATOM 0 HG CYS A 49 20.968 2.423 17.050 1.00 0.00 H new ATOM 735 N THR A 50 22.541 4.964 21.410 1.00 0.00 N ATOM 736 CA THR A 50 22.918 5.804 22.562 1.00 0.00 C ATOM 737 C THR A 50 23.550 4.969 23.669 1.00 0.00 C ATOM 738 O THR A 50 24.620 5.324 24.157 1.00 0.00 O ATOM 739 CB THR A 50 21.703 6.601 23.052 1.00 0.00 C ATOM 740 OG1 THR A 50 21.377 7.538 22.046 1.00 0.00 O ATOM 741 CG2 THR A 50 21.976 7.409 24.324 1.00 0.00 C ATOM 0 H THR A 50 21.534 4.930 21.252 1.00 0.00 H new ATOM 0 HA THR A 50 23.676 6.520 22.245 1.00 0.00 H new ATOM 0 HB THR A 50 20.911 5.883 23.267 1.00 0.00 H new ATOM 0 HG1 THR A 50 20.865 7.093 21.338 1.00 0.00 H new ATOM 0 HG21 THR A 50 21.074 7.948 24.613 1.00 0.00 H new ATOM 0 HG22 THR A 50 22.269 6.734 25.128 1.00 0.00 H new ATOM 0 HG23 THR A 50 22.780 8.121 24.137 1.00 0.00 H new ATOM 749 N SER A 51 22.953 3.835 24.036 1.00 0.00 N ATOM 750 CA SER A 51 23.485 2.934 25.079 1.00 0.00 C ATOM 751 C SER A 51 24.846 2.296 24.725 1.00 0.00 C ATOM 752 O SER A 51 25.680 2.113 25.621 1.00 0.00 O ATOM 753 CB SER A 51 22.469 1.824 25.391 1.00 0.00 C ATOM 754 OG SER A 51 21.322 2.356 26.047 1.00 0.00 O ATOM 0 H SER A 51 22.081 3.507 23.620 1.00 0.00 H new ATOM 0 HA SER A 51 23.652 3.562 25.954 1.00 0.00 H new ATOM 0 HB2 SER A 51 22.168 1.330 24.467 1.00 0.00 H new ATOM 0 HB3 SER A 51 22.934 1.066 26.021 1.00 0.00 H new ATOM 0 HG SER A 51 20.715 2.742 25.382 1.00 0.00 H new ATOM 760 N THR A 52 25.103 1.980 23.442 1.00 0.00 N ATOM 761 CA THR A 52 26.415 1.494 22.966 1.00 0.00 C ATOM 762 C THR A 52 27.405 2.621 22.673 1.00 0.00 C ATOM 763 O THR A 52 28.597 2.359 22.528 1.00 0.00 O ATOM 764 CB THR A 52 26.259 0.614 21.715 1.00 0.00 C ATOM 765 OG1 THR A 52 25.645 1.353 20.682 1.00 0.00 O ATOM 766 CG2 THR A 52 25.428 -0.645 21.991 1.00 0.00 C ATOM 0 H THR A 52 24.405 2.054 22.702 1.00 0.00 H new ATOM 0 HA THR A 52 26.824 0.902 23.785 1.00 0.00 H new ATOM 0 HB THR A 52 27.259 0.300 21.416 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.550 0.787 19.887 1.00 0.00 H new ATOM 0 HG21 THR A 52 25.346 -1.234 21.078 1.00 0.00 H new ATOM 0 HG22 THR A 52 25.915 -1.240 22.764 1.00 0.00 H new ATOM 0 HG23 THR A 52 24.432 -0.357 22.328 1.00 0.00 H new ATOM 774 N HIS A 53 26.922 3.861 22.571 1.00 0.00 N ATOM 775 CA HIS A 53 27.655 5.106 22.277 1.00 0.00 C ATOM 776 C HIS A 53 28.144 5.196 20.807 1.00 0.00 C ATOM 777 O HIS A 53 28.913 6.094 20.454 1.00 0.00 O ATOM 778 CB HIS A 53 28.805 5.346 23.288 1.00 0.00 C ATOM 779 CG HIS A 53 28.458 5.274 24.756 1.00 0.00 C ATOM 780 ND1 HIS A 53 27.210 5.378 25.336 1.00 0.00 N ATOM 781 CD2 HIS A 53 29.355 5.151 25.785 1.00 0.00 C ATOM 782 CE1 HIS A 53 27.352 5.299 26.669 1.00 0.00 C ATOM 783 NE2 HIS A 53 28.653 5.173 26.998 1.00 0.00 N ATOM 0 H HIS A 53 25.927 4.041 22.702 1.00 0.00 H new ATOM 0 HA HIS A 53 26.937 5.916 22.400 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.588 4.614 23.089 1.00 0.00 H new ATOM 0 HB3 HIS A 53 29.230 6.330 23.089 1.00 0.00 H new ATOM 0 HD1 HIS A 53 26.328 5.495 24.836 1.00 0.00 H new ATOM 0 HD2 HIS A 53 30.425 5.053 25.679 1.00 0.00 H new ATOM 0 HE1 HIS A 53 26.538 5.332 27.378 1.00 0.00 H new ATOM 791 N LYS A 54 27.743 4.258 19.939 1.00 0.00 N ATOM 792 CA LYS A 54 28.246 4.141 18.565 1.00 0.00 C ATOM 793 C LYS A 54 27.655 5.212 17.620 1.00 0.00 C ATOM 794 O LYS A 54 26.434 5.346 17.513 1.00 0.00 O ATOM 795 CB LYS A 54 27.999 2.702 18.057 1.00 0.00 C ATOM 796 CG LYS A 54 29.238 2.039 17.427 1.00 0.00 C ATOM 797 CD LYS A 54 30.427 1.801 18.382 1.00 0.00 C ATOM 798 CE LYS A 54 30.028 1.009 19.636 1.00 0.00 C ATOM 799 NZ LYS A 54 31.190 0.766 20.532 1.00 0.00 N ATOM 0 H LYS A 54 27.049 3.549 20.176 1.00 0.00 H new ATOM 0 HA LYS A 54 29.319 4.333 18.570 1.00 0.00 H new ATOM 0 HB2 LYS A 54 27.655 2.088 18.889 1.00 0.00 H new ATOM 0 HB3 LYS A 54 27.196 2.720 17.321 1.00 0.00 H new ATOM 0 HG2 LYS A 54 28.939 1.081 17.003 1.00 0.00 H new ATOM 0 HG3 LYS A 54 29.579 2.661 16.599 1.00 0.00 H new ATOM 0 HD2 LYS A 54 31.212 1.263 17.851 1.00 0.00 H new ATOM 0 HD3 LYS A 54 30.846 2.762 18.682 1.00 0.00 H new ATOM 0 HE2 LYS A 54 29.258 1.555 20.181 1.00 0.00 H new ATOM 0 HE3 LYS A 54 29.593 0.055 19.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 30.879 0.229 21.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 31.915 0.223 20.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 31.590 1.676 20.836 1.00 0.00 H new ATOM 813 N VAL A 55 28.517 5.952 16.908 1.00 0.00 N ATOM 814 CA VAL A 55 28.120 6.984 15.912 1.00 0.00 C ATOM 815 C VAL A 55 27.796 6.416 14.518 1.00 0.00 C ATOM 816 O VAL A 55 27.229 7.113 13.677 1.00 0.00 O ATOM 817 CB VAL A 55 29.165 8.121 15.794 1.00 0.00 C ATOM 818 CG1 VAL A 55 29.330 8.869 17.132 1.00 0.00 C ATOM 819 CG2 VAL A 55 30.541 7.637 15.297 1.00 0.00 C ATOM 0 H VAL A 55 29.528 5.856 17.002 1.00 0.00 H new ATOM 0 HA VAL A 55 27.193 7.400 16.308 1.00 0.00 H new ATOM 0 HB VAL A 55 28.771 8.803 15.041 1.00 0.00 H new ATOM 0 HG11 VAL A 55 30.070 9.661 17.017 1.00 0.00 H new ATOM 0 HG12 VAL A 55 28.375 9.305 17.426 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.662 8.171 17.901 1.00 0.00 H new ATOM 0 HG21 VAL A 55 31.225 8.484 15.237 1.00 0.00 H new ATOM 0 HG22 VAL A 55 30.939 6.897 15.991 1.00 0.00 H new ATOM 0 HG23 VAL A 55 30.434 7.187 14.310 1.00 0.00 H new ATOM 829 N GLY A 56 28.138 5.145 14.281 1.00 0.00 N ATOM 830 CA GLY A 56 27.849 4.382 13.064 1.00 0.00 C ATOM 831 C GLY A 56 27.394 2.954 13.367 1.00 0.00 C ATOM 832 O GLY A 56 27.778 2.379 14.386 1.00 0.00 O ATOM 0 H GLY A 56 28.650 4.593 14.969 1.00 0.00 H new ATOM 0 HA2 GLY A 56 27.075 4.894 12.493 1.00 0.00 H new ATOM 0 HA3 GLY A 56 28.740 4.351 12.437 1.00 0.00 H new ATOM 836 N LEU A 57 26.563 2.396 12.483 1.00 0.00 N ATOM 837 CA LEU A 57 25.910 1.097 12.660 1.00 0.00 C ATOM 838 C LEU A 57 26.575 -0.005 11.815 1.00 0.00 C ATOM 839 O LEU A 57 27.322 0.278 10.868 1.00 0.00 O ATOM 840 CB LEU A 57 24.412 1.230 12.356 1.00 0.00 C ATOM 841 CG LEU A 57 23.627 2.100 13.358 1.00 0.00 C ATOM 842 CD1 LEU A 57 23.661 3.606 13.036 1.00 0.00 C ATOM 843 CD2 LEU A 57 22.166 1.631 13.378 1.00 0.00 C ATOM 0 H LEU A 57 26.320 2.847 11.601 1.00 0.00 H new ATOM 0 HA LEU A 57 26.028 0.788 13.699 1.00 0.00 H new ATOM 0 HB2 LEU A 57 24.294 1.652 11.358 1.00 0.00 H new ATOM 0 HB3 LEU A 57 23.969 0.234 12.335 1.00 0.00 H new ATOM 0 HG LEU A 57 24.109 1.976 14.328 1.00 0.00 H new ATOM 0 HD11 LEU A 57 23.087 4.151 13.785 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.693 3.957 13.044 1.00 0.00 H new ATOM 0 HD13 LEU A 57 23.227 3.777 12.051 1.00 0.00 H new ATOM 0 HD21 LEU A 57 21.599 2.238 14.083 1.00 0.00 H new ATOM 0 HD22 LEU A 57 21.737 1.736 12.382 1.00 0.00 H new ATOM 0 HD23 LEU A 57 22.124 0.586 13.683 1.00 0.00 H new ATOM 855 N THR A 58 26.300 -1.266 12.174 1.00 0.00 N ATOM 856 CA THR A 58 26.872 -2.482 11.574 1.00 0.00 C ATOM 857 C THR A 58 25.789 -3.512 11.309 1.00 0.00 C ATOM 858 O THR A 58 24.697 -3.452 11.869 1.00 0.00 O ATOM 859 CB THR A 58 27.943 -3.090 12.498 1.00 0.00 C ATOM 860 OG1 THR A 58 27.343 -3.516 13.706 1.00 0.00 O ATOM 861 CG2 THR A 58 29.072 -2.114 12.823 1.00 0.00 C ATOM 0 H THR A 58 25.643 -1.477 12.925 1.00 0.00 H new ATOM 0 HA THR A 58 27.334 -2.201 10.627 1.00 0.00 H new ATOM 0 HB THR A 58 28.380 -3.932 11.962 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.026 -3.904 14.292 1.00 0.00 H new ATOM 0 HG21 THR A 58 29.796 -2.600 13.477 1.00 0.00 H new ATOM 0 HG22 THR A 58 29.565 -1.808 11.900 1.00 0.00 H new ATOM 0 HG23 THR A 58 28.662 -1.237 13.323 1.00 0.00 H new ATOM 869 N SER A 59 26.112 -4.522 10.505 1.00 0.00 N ATOM 870 CA SER A 59 25.256 -5.697 10.298 1.00 0.00 C ATOM 871 C SER A 59 24.960 -6.466 11.597 1.00 0.00 C ATOM 872 O SER A 59 23.913 -7.106 11.700 1.00 0.00 O ATOM 873 CB SER A 59 25.899 -6.625 9.257 1.00 0.00 C ATOM 874 OG SER A 59 27.240 -6.959 9.609 1.00 0.00 O ATOM 0 H SER A 59 26.981 -4.552 9.973 1.00 0.00 H new ATOM 0 HA SER A 59 24.295 -5.336 9.933 1.00 0.00 H new ATOM 0 HB2 SER A 59 25.308 -7.536 9.167 1.00 0.00 H new ATOM 0 HB3 SER A 59 25.888 -6.140 8.281 1.00 0.00 H new ATOM 0 HG SER A 59 27.619 -7.552 8.927 1.00 0.00 H new ATOM 880 N GLU A 60 25.834 -6.367 12.608 1.00 0.00 N ATOM 881 CA GLU A 60 25.612 -6.937 13.937 1.00 0.00 C ATOM 882 C GLU A 60 24.600 -6.101 14.746 1.00 0.00 C ATOM 883 O GLU A 60 23.698 -6.676 15.351 1.00 0.00 O ATOM 884 CB GLU A 60 26.962 -7.059 14.668 1.00 0.00 C ATOM 885 CG GLU A 60 26.846 -7.832 15.985 1.00 0.00 C ATOM 886 CD GLU A 60 28.228 -8.039 16.620 1.00 0.00 C ATOM 887 OE1 GLU A 60 28.680 -7.165 17.396 1.00 0.00 O ATOM 888 OE2 GLU A 60 28.873 -9.082 16.352 1.00 0.00 O ATOM 0 H GLU A 60 26.727 -5.881 12.521 1.00 0.00 H new ATOM 0 HA GLU A 60 25.178 -7.931 13.831 1.00 0.00 H new ATOM 0 HB2 GLU A 60 27.680 -7.560 14.018 1.00 0.00 H new ATOM 0 HB3 GLU A 60 27.355 -6.062 14.868 1.00 0.00 H new ATOM 0 HG2 GLU A 60 26.202 -7.288 16.675 1.00 0.00 H new ATOM 0 HG3 GLU A 60 26.376 -8.798 15.804 1.00 0.00 H new ATOM 895 N ILE A 61 24.688 -4.763 14.727 1.00 0.00 N ATOM 896 CA ILE A 61 23.740 -3.878 15.440 1.00 0.00 C ATOM 897 C ILE A 61 22.314 -4.059 14.903 1.00 0.00 C ATOM 898 O ILE A 61 21.393 -4.281 15.690 1.00 0.00 O ATOM 899 CB ILE A 61 24.224 -2.404 15.394 1.00 0.00 C ATOM 900 CG1 ILE A 61 25.467 -2.249 16.307 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.120 -1.415 15.830 1.00 0.00 C ATOM 902 CD1 ILE A 61 26.260 -0.952 16.101 1.00 0.00 C ATOM 0 H ILE A 61 25.415 -4.259 14.219 1.00 0.00 H new ATOM 0 HA ILE A 61 23.712 -4.163 16.492 1.00 0.00 H new ATOM 0 HB ILE A 61 24.481 -2.164 14.362 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.145 -2.300 17.347 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.132 -3.096 16.138 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.504 -0.396 15.782 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.262 -1.511 15.164 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.813 -1.639 16.852 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.110 -0.933 16.783 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.618 -0.904 15.073 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.616 -0.096 16.301 1.00 0.00 H new ATOM 914 N LEU A 62 22.110 -4.019 13.580 1.00 0.00 N ATOM 915 CA LEU A 62 20.769 -4.198 13.003 1.00 0.00 C ATOM 916 C LEU A 62 20.253 -5.648 13.083 1.00 0.00 C ATOM 917 O LEU A 62 19.036 -5.853 13.050 1.00 0.00 O ATOM 918 CB LEU A 62 20.703 -3.663 11.558 1.00 0.00 C ATOM 919 CG LEU A 62 20.793 -2.139 11.336 1.00 0.00 C ATOM 920 CD1 LEU A 62 19.984 -1.342 12.366 1.00 0.00 C ATOM 921 CD2 LEU A 62 22.229 -1.614 11.324 1.00 0.00 C ATOM 0 H LEU A 62 22.848 -3.866 12.893 1.00 0.00 H new ATOM 0 HA LEU A 62 20.097 -3.604 13.623 1.00 0.00 H new ATOM 0 HB2 LEU A 62 21.511 -4.129 10.994 1.00 0.00 H new ATOM 0 HB3 LEU A 62 19.767 -4.008 11.118 1.00 0.00 H new ATOM 0 HG LEU A 62 20.361 -1.986 10.347 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.084 -0.276 12.161 1.00 0.00 H new ATOM 0 HD12 LEU A 62 18.934 -1.627 12.303 1.00 0.00 H new ATOM 0 HD13 LEU A 62 20.358 -1.556 13.367 1.00 0.00 H new ATOM 0 HD21 LEU A 62 22.221 -0.536 11.164 1.00 0.00 H new ATOM 0 HD22 LEU A 62 22.705 -1.835 12.279 1.00 0.00 H new ATOM 0 HD23 LEU A 62 22.786 -2.096 10.521 1.00 0.00 H new ATOM 933 N ASN A 63 21.125 -6.642 13.248 1.00 0.00 N ATOM 934 CA ASN A 63 20.729 -8.009 13.606 1.00 0.00 C ATOM 935 C ASN A 63 20.276 -8.087 15.079 1.00 0.00 C ATOM 936 O ASN A 63 19.185 -8.576 15.372 1.00 0.00 O ATOM 937 CB ASN A 63 21.891 -8.971 13.316 1.00 0.00 C ATOM 938 CG ASN A 63 21.596 -10.394 13.775 1.00 0.00 C ATOM 939 OD1 ASN A 63 20.935 -11.162 13.087 1.00 0.00 O ATOM 940 ND2 ASN A 63 22.066 -10.785 14.949 1.00 0.00 N ATOM 0 H ASN A 63 22.132 -6.524 13.137 1.00 0.00 H new ATOM 0 HA ASN A 63 19.875 -8.306 12.998 1.00 0.00 H new ATOM 0 HB2 ASN A 63 22.099 -8.973 12.246 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.791 -8.610 13.815 1.00 0.00 H new ATOM 0 HD21 ASN A 63 21.878 -11.730 15.285 1.00 0.00 H new ATOM 0 HD22 ASN A 63 22.616 -10.142 15.518 1.00 0.00 H new ATOM 947 N SER A 64 21.072 -7.565 16.016 1.00 0.00 N ATOM 948 CA SER A 64 20.752 -7.586 17.449 1.00 0.00 C ATOM 949 C SER A 64 19.501 -6.773 17.805 1.00 0.00 C ATOM 950 O SER A 64 18.781 -7.161 18.726 1.00 0.00 O ATOM 951 CB SER A 64 21.943 -7.073 18.266 1.00 0.00 C ATOM 952 OG SER A 64 23.009 -8.017 18.234 1.00 0.00 O ATOM 0 H SER A 64 21.961 -7.113 15.803 1.00 0.00 H new ATOM 0 HA SER A 64 20.540 -8.626 17.698 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.282 -6.118 17.866 1.00 0.00 H new ATOM 0 HB3 SER A 64 21.636 -6.896 19.297 1.00 0.00 H new ATOM 0 HG SER A 64 23.764 -7.676 18.758 1.00 0.00 H new ATOM 958 N PHE A 65 19.176 -5.717 17.052 1.00 0.00 N ATOM 959 CA PHE A 65 17.973 -4.896 17.241 1.00 0.00 C ATOM 960 C PHE A 65 16.662 -5.711 17.227 1.00 0.00 C ATOM 961 O PHE A 65 15.722 -5.372 17.952 1.00 0.00 O ATOM 962 CB PHE A 65 17.964 -3.789 16.175 1.00 0.00 C ATOM 963 CG PHE A 65 16.766 -2.857 16.235 1.00 0.00 C ATOM 964 CD1 PHE A 65 16.502 -2.112 17.400 1.00 0.00 C ATOM 965 CD2 PHE A 65 15.899 -2.747 15.127 1.00 0.00 C ATOM 966 CE1 PHE A 65 15.374 -1.274 17.465 1.00 0.00 C ATOM 967 CE2 PHE A 65 14.776 -1.907 15.186 1.00 0.00 C ATOM 968 CZ PHE A 65 14.513 -1.167 16.355 1.00 0.00 C ATOM 0 H PHE A 65 19.756 -5.401 16.275 1.00 0.00 H new ATOM 0 HA PHE A 65 18.016 -4.457 18.238 1.00 0.00 H new ATOM 0 HB2 PHE A 65 18.873 -3.197 16.279 1.00 0.00 H new ATOM 0 HB3 PHE A 65 17.997 -4.253 15.189 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.168 -2.184 18.247 1.00 0.00 H new ATOM 0 HD2 PHE A 65 16.101 -3.312 14.229 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.168 -0.713 18.365 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.114 -1.828 14.336 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.651 -0.518 16.401 1.00 0.00 H new ATOM 978 N GLU A 66 16.613 -6.820 16.475 1.00 0.00 N ATOM 979 CA GLU A 66 15.472 -7.745 16.476 1.00 0.00 C ATOM 980 C GLU A 66 15.229 -8.371 17.857 1.00 0.00 C ATOM 981 O GLU A 66 14.085 -8.523 18.286 1.00 0.00 O ATOM 982 CB GLU A 66 15.698 -8.882 15.467 1.00 0.00 C ATOM 983 CG GLU A 66 15.727 -8.395 14.013 1.00 0.00 C ATOM 984 CD GLU A 66 15.869 -9.572 13.038 1.00 0.00 C ATOM 985 OE1 GLU A 66 14.908 -10.364 12.885 1.00 0.00 O ATOM 986 OE2 GLU A 66 16.937 -9.703 12.389 1.00 0.00 O ATOM 0 H GLU A 66 17.366 -7.101 15.847 1.00 0.00 H new ATOM 0 HA GLU A 66 14.599 -7.154 16.200 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.639 -9.382 15.696 1.00 0.00 H new ATOM 0 HB3 GLU A 66 14.907 -9.624 15.580 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.812 -7.845 13.792 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.557 -7.702 13.875 1.00 0.00 H new ATOM 993 N HIS A 67 16.303 -8.717 18.570 1.00 0.00 N ATOM 994 CA HIS A 67 16.265 -9.341 19.895 1.00 0.00 C ATOM 995 C HIS A 67 16.288 -8.311 21.044 1.00 0.00 C ATOM 996 O HIS A 67 15.792 -8.585 22.143 1.00 0.00 O ATOM 997 CB HIS A 67 17.449 -10.312 20.009 1.00 0.00 C ATOM 998 CG HIS A 67 17.442 -11.412 18.970 1.00 0.00 C ATOM 999 ND1 HIS A 67 16.774 -12.610 19.056 1.00 0.00 N ATOM 1000 CD2 HIS A 67 18.080 -11.390 17.755 1.00 0.00 C ATOM 1001 CE1 HIS A 67 17.001 -13.293 17.919 1.00 0.00 C ATOM 1002 NE2 HIS A 67 17.794 -12.590 17.088 1.00 0.00 N ATOM 0 H HIS A 67 17.253 -8.566 18.231 1.00 0.00 H new ATOM 0 HA HIS A 67 15.321 -9.877 19.995 1.00 0.00 H new ATOM 0 HB2 HIS A 67 18.378 -9.749 19.921 1.00 0.00 H new ATOM 0 HB3 HIS A 67 17.442 -10.763 21.001 1.00 0.00 H new ATOM 0 HD2 HIS A 67 18.696 -10.587 17.378 1.00 0.00 H new ATOM 0 HE1 HIS A 67 16.601 -14.273 17.702 1.00 0.00 H new ATOM 0 HE2 HIS A 67 18.120 -12.872 16.164 1.00 0.00 H new ATOM 1010 N GLU A 68 16.854 -7.124 20.804 1.00 0.00 N ATOM 1011 CA GLU A 68 16.983 -6.033 21.769 1.00 0.00 C ATOM 1012 C GLU A 68 15.647 -5.324 22.048 1.00 0.00 C ATOM 1013 O GLU A 68 15.493 -4.750 23.132 1.00 0.00 O ATOM 1014 CB GLU A 68 18.029 -5.041 21.232 1.00 0.00 C ATOM 1015 CG GLU A 68 18.393 -3.863 22.141 1.00 0.00 C ATOM 1016 CD GLU A 68 18.898 -4.291 23.531 1.00 0.00 C ATOM 1017 OE1 GLU A 68 19.756 -5.202 23.628 1.00 0.00 O ATOM 1018 OE2 GLU A 68 18.442 -3.712 24.546 1.00 0.00 O ATOM 0 H GLU A 68 17.250 -6.890 19.894 1.00 0.00 H new ATOM 0 HA GLU A 68 17.303 -6.448 22.725 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.941 -5.595 21.012 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.664 -4.640 20.286 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.161 -3.262 21.654 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.518 -3.224 22.262 1.00 0.00 H new ATOM 1025 N PHE A 69 14.679 -5.371 21.122 1.00 0.00 N ATOM 1026 CA PHE A 69 13.418 -4.636 21.254 1.00 0.00 C ATOM 1027 C PHE A 69 12.203 -5.315 20.600 1.00 0.00 C ATOM 1028 O PHE A 69 11.137 -5.366 21.223 1.00 0.00 O ATOM 1029 CB PHE A 69 13.609 -3.208 20.704 1.00 0.00 C ATOM 1030 CG PHE A 69 12.548 -2.237 21.180 1.00 0.00 C ATOM 1031 CD1 PHE A 69 12.739 -1.533 22.384 1.00 0.00 C ATOM 1032 CD2 PHE A 69 11.366 -2.045 20.442 1.00 0.00 C ATOM 1033 CE1 PHE A 69 11.759 -0.645 22.850 1.00 0.00 C ATOM 1034 CE2 PHE A 69 10.378 -1.153 20.909 1.00 0.00 C ATOM 1035 CZ PHE A 69 10.576 -0.453 22.114 1.00 0.00 C ATOM 0 H PHE A 69 14.750 -5.918 20.264 1.00 0.00 H new ATOM 0 HA PHE A 69 13.181 -4.615 22.318 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.590 -2.839 21.003 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.599 -3.241 19.615 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.646 -1.678 22.952 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.215 -2.581 19.517 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.913 -0.108 23.774 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.470 -1.007 20.342 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.821 0.230 22.473 1.00 0.00 H new ATOM 1045 N LEU A 70 12.327 -5.824 19.360 1.00 0.00 N ATOM 1046 CA LEU A 70 11.166 -6.267 18.566 1.00 0.00 C ATOM 1047 C LEU A 70 10.567 -7.597 19.058 1.00 0.00 C ATOM 1048 O LEU A 70 9.354 -7.683 19.257 1.00 0.00 O ATOM 1049 CB LEU A 70 11.549 -6.346 17.072 1.00 0.00 C ATOM 1050 CG LEU A 70 11.344 -5.070 16.227 1.00 0.00 C ATOM 1051 CD1 LEU A 70 9.874 -4.618 16.217 1.00 0.00 C ATOM 1052 CD2 LEU A 70 12.252 -3.920 16.672 1.00 0.00 C ATOM 0 H LEU A 70 13.223 -5.939 18.885 1.00 0.00 H new ATOM 0 HA LEU A 70 10.382 -5.521 18.699 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.599 -6.631 17.006 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.971 -7.150 16.616 1.00 0.00 H new ATOM 0 HG LEU A 70 11.626 -5.338 15.209 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.774 -3.717 15.611 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.253 -5.409 15.796 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.551 -4.407 17.237 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.068 -3.047 16.045 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.041 -3.671 17.712 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.295 -4.222 16.576 1.00 0.00 H new ATOM 1064 N SER A 71 11.374 -8.631 19.282 1.00 0.00 N ATOM 1065 CA SER A 71 10.859 -9.941 19.738 1.00 0.00 C ATOM 1066 C SER A 71 10.312 -9.912 21.180 1.00 0.00 C ATOM 1067 O SER A 71 9.445 -10.715 21.534 1.00 0.00 O ATOM 1068 CB SER A 71 11.932 -11.028 19.583 1.00 0.00 C ATOM 1069 OG SER A 71 13.009 -10.865 20.494 1.00 0.00 O ATOM 0 H SER A 71 12.386 -8.598 19.159 1.00 0.00 H new ATOM 0 HA SER A 71 10.012 -10.181 19.095 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.477 -12.007 19.735 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.317 -11.010 18.564 1.00 0.00 H new ATOM 0 HG SER A 71 13.664 -11.581 20.357 1.00 0.00 H new ATOM 1075 N LYS A 72 10.766 -8.964 22.010 1.00 0.00 N ATOM 1076 CA LYS A 72 10.323 -8.792 23.405 1.00 0.00 C ATOM 1077 C LYS A 72 8.838 -8.396 23.542 1.00 0.00 C ATOM 1078 O LYS A 72 8.201 -8.719 24.548 1.00 0.00 O ATOM 1079 CB LYS A 72 11.196 -7.714 24.077 1.00 0.00 C ATOM 1080 CG LYS A 72 12.680 -8.086 24.191 1.00 0.00 C ATOM 1081 CD LYS A 72 13.440 -6.962 24.909 1.00 0.00 C ATOM 1082 CE LYS A 72 14.909 -7.340 25.118 1.00 0.00 C ATOM 1083 NZ LYS A 72 15.697 -6.188 25.625 1.00 0.00 N ATOM 0 H LYS A 72 11.467 -8.279 21.727 1.00 0.00 H new ATOM 0 HA LYS A 72 10.433 -9.761 23.892 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.108 -6.787 23.511 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.805 -7.516 25.075 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.790 -9.021 24.740 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.102 -8.248 23.199 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.376 -6.044 24.325 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.972 -6.759 25.872 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.977 -8.168 25.824 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.334 -7.688 24.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.641 -6.514 25.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.793 -5.476 24.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.210 -5.766 26.441 1.00 0.00 H new ATOM 1097 N ARG A 73 8.295 -7.685 22.542 1.00 0.00 N ATOM 1098 CA ARG A 73 6.966 -7.047 22.577 1.00 0.00 C ATOM 1099 C ARG A 73 5.972 -7.570 21.521 1.00 0.00 C ATOM 1100 O ARG A 73 4.819 -7.126 21.507 1.00 0.00 O ATOM 1101 CB ARG A 73 7.153 -5.515 22.462 1.00 0.00 C ATOM 1102 CG ARG A 73 7.634 -5.052 21.078 1.00 0.00 C ATOM 1103 CD ARG A 73 8.084 -3.587 21.076 1.00 0.00 C ATOM 1104 NE ARG A 73 6.974 -2.668 21.385 1.00 0.00 N ATOM 1105 CZ ARG A 73 6.834 -1.904 22.463 1.00 0.00 C ATOM 1106 NH1 ARG A 73 7.733 -1.872 23.428 1.00 0.00 N ATOM 1107 NH2 ARG A 73 5.762 -1.148 22.585 1.00 0.00 N ATOM 0 H ARG A 73 8.782 -7.532 21.659 1.00 0.00 H new ATOM 0 HA ARG A 73 6.507 -7.312 23.529 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.207 -5.025 22.690 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.871 -5.188 23.214 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.461 -5.684 20.754 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.830 -5.183 20.354 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.881 -3.452 21.807 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.501 -3.337 20.100 1.00 0.00 H new ATOM 0 HE ARG A 73 6.228 -2.612 20.692 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.573 -2.448 23.362 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.589 -1.272 24.240 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.049 -1.153 21.856 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.645 -0.558 23.409 1.00 0.00 H new ATOM 1121 N LEU A 74 6.393 -8.484 20.637 1.00 0.00 N ATOM 1122 CA LEU A 74 5.629 -8.958 19.478 1.00 0.00 C ATOM 1123 C LEU A 74 4.254 -9.544 19.858 1.00 0.00 C ATOM 1124 O LEU A 74 4.159 -10.484 20.648 1.00 0.00 O ATOM 1125 CB LEU A 74 6.501 -9.985 18.724 1.00 0.00 C ATOM 1126 CG LEU A 74 5.877 -10.568 17.440 1.00 0.00 C ATOM 1127 CD1 LEU A 74 5.481 -9.461 16.451 1.00 0.00 C ATOM 1128 CD2 LEU A 74 6.869 -11.533 16.779 1.00 0.00 C ATOM 0 H LEU A 74 7.308 -8.929 20.713 1.00 0.00 H new ATOM 0 HA LEU A 74 5.401 -8.109 18.834 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.448 -9.511 18.465 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.731 -10.807 19.401 1.00 0.00 H new ATOM 0 HG LEU A 74 4.970 -11.105 17.717 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.045 -9.910 15.558 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.751 -8.800 16.918 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.365 -8.887 16.174 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.427 -11.944 15.872 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.784 -10.997 16.526 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.102 -12.344 17.469 1.00 0.00 H new ATOM 1140 N SER A 75 3.189 -9.019 19.257 1.00 0.00 N ATOM 1141 CA SER A 75 1.804 -9.476 19.468 1.00 0.00 C ATOM 1142 C SER A 75 1.423 -10.723 18.657 1.00 0.00 C ATOM 1143 O SER A 75 0.545 -11.488 19.059 1.00 0.00 O ATOM 1144 CB SER A 75 0.844 -8.319 19.157 1.00 0.00 C ATOM 1145 OG SER A 75 1.078 -7.785 17.859 1.00 0.00 O ATOM 0 H SER A 75 3.259 -8.247 18.594 1.00 0.00 H new ATOM 0 HA SER A 75 1.725 -9.777 20.513 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.186 -8.670 19.228 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.965 -7.533 19.903 1.00 0.00 H new ATOM 0 HG SER A 75 0.451 -7.051 17.689 1.00 0.00 H new ATOM 1151 N LYS A 76 2.125 -10.975 17.550 1.00 0.00 N ATOM 1152 CA LYS A 76 1.880 -12.109 16.644 1.00 0.00 C ATOM 1153 C LYS A 76 2.284 -13.473 17.244 1.00 0.00 C ATOM 1154 O LYS A 76 1.808 -14.521 16.797 1.00 0.00 O ATOM 1155 CB LYS A 76 2.606 -11.856 15.308 1.00 0.00 C ATOM 1156 CG LYS A 76 2.136 -10.579 14.593 1.00 0.00 C ATOM 1157 CD LYS A 76 2.799 -10.439 13.220 1.00 0.00 C ATOM 1158 CE LYS A 76 2.485 -9.086 12.562 1.00 0.00 C ATOM 1159 NZ LYS A 76 1.049 -8.946 12.200 1.00 0.00 N ATOM 0 H LYS A 76 2.899 -10.384 17.248 1.00 0.00 H new ATOM 0 HA LYS A 76 0.804 -12.170 16.480 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.678 -11.787 15.492 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.450 -12.711 14.650 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.053 -10.602 14.476 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.372 -9.708 15.205 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.878 -10.548 13.326 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.459 -11.245 12.570 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.765 -8.282 13.242 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.095 -8.972 11.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.891 -8.017 11.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.785 -9.696 11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.465 -9.027 13.057 1.00 0.00 H new ATOM 1173 N ALA A 77 3.152 -13.464 18.265 1.00 0.00 N ATOM 1174 CA ALA A 77 3.644 -14.648 18.970 1.00 0.00 C ATOM 1175 C ALA A 77 2.750 -15.092 20.155 1.00 0.00 C ATOM 1176 O ALA A 77 2.955 -16.182 20.697 1.00 0.00 O ATOM 1177 CB ALA A 77 5.076 -14.334 19.438 1.00 0.00 C ATOM 0 H ALA A 77 3.543 -12.597 18.634 1.00 0.00 H new ATOM 0 HA ALA A 77 3.624 -15.496 18.285 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.482 -15.194 19.970 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.702 -14.115 18.573 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.060 -13.470 20.103 1.00 0.00 H new ATOM 1183 N ARG A 78 1.776 -14.262 20.557 1.00 0.00 N ATOM 1184 CA ARG A 78 0.880 -14.492 21.710 1.00 0.00 C ATOM 1185 C ARG A 78 -0.151 -15.602 21.455 1.00 0.00 C ATOM 1186 O ARG A 78 -0.342 -16.447 22.360 1.00 0.00 O ATOM 1187 CB ARG A 78 0.184 -13.176 22.111 1.00 0.00 C ATOM 1188 CG ARG A 78 1.173 -12.075 22.539 1.00 0.00 C ATOM 1189 CD ARG A 78 0.436 -10.781 22.902 1.00 0.00 C ATOM 1190 NE ARG A 78 1.377 -9.674 23.156 1.00 0.00 N ATOM 1191 CZ ARG A 78 1.064 -8.417 23.405 1.00 0.00 C ATOM 1192 NH1 ARG A 78 -0.171 -8.013 23.495 1.00 0.00 N ATOM 1193 NH2 ARG A 78 1.996 -7.526 23.563 1.00 0.00 N ATOM 1194 OXT ARG A 78 -0.784 -15.619 20.374 1.00 0.00 O ATOM 0 H ARG A 78 1.581 -13.384 20.077 1.00 0.00 H new ATOM 0 HA ARG A 78 1.502 -14.837 22.536 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.410 -12.816 21.271 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.508 -13.373 22.930 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.755 -12.418 23.394 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.878 -11.881 21.731 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.239 -10.507 22.092 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.179 -10.947 23.787 1.00 0.00 H new ATOM 0 HE ARG A 78 2.371 -9.904 23.137 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.935 -8.677 23.372 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.374 -7.032 23.689 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.977 -7.797 23.495 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.747 -6.556 23.755 1.00 0.00 H new TER 1208 ARG A 78