USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 LYS NZ :NH3+ -138:sc= 0.101 (180deg=0) USER MOD Set 1.2: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 33 CYS SG : rot -27:sc= -0.0734 USER MOD Set 2.2: A 83 CYS SG : rot 170:sc= -1.36 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 8:sc= 0.237 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0138) USER MOD Single : A 13 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00135) USER MOD Single : A 15 GLN : amide:sc= -3.62 K(o=-3.6,f=-8.3!) USER MOD Single : A 18 HIS : no HD1:sc= -3.22 K(o=-3.2,f=-4.9!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 28 SER OG : rot 44:sc= 1.14 USER MOD Single : A 30 THR OG1 : rot -24:sc= 0.616 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0107 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0715 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -170:sc= -0.405 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00607 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 169:sc= -0.0136 (180deg=-0.247) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.555 USER MOD Single : A 65 THR OG1 : rot 22:sc= 0.941 USER MOD Single : A 71 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.23) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.35) USER MOD Single : A 81 TYR OH : rot -14:sc= 0.0448 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= 0.00359 F(o=-0.61,f=0.0036) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 100 CYS SG : rot 180:sc= -0.0661 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.977 17.497 12.082 1.00 0.00 N ATOM 2 CA GLY A 1 1.010 18.470 11.007 1.00 0.00 C ATOM 3 C GLY A 1 2.171 18.247 10.058 1.00 0.00 C ATOM 4 O GLY A 1 2.340 17.152 9.520 1.00 0.00 O ATOM 0 H1 GLY A 1 0.166 17.693 12.703 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.885 16.541 11.682 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.857 17.558 12.633 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.075 18.422 10.449 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.078 19.472 11.430 1.00 0.00 H new ATOM 8 N SER A 2 2.973 19.287 9.850 1.00 0.00 N ATOM 9 CA SER A 2 4.120 19.200 8.955 1.00 0.00 C ATOM 10 C SER A 2 5.232 20.143 9.404 1.00 0.00 C ATOM 11 O SER A 2 5.092 21.364 9.330 1.00 0.00 O ATOM 12 CB SER A 2 3.702 19.532 7.521 1.00 0.00 C ATOM 13 OG SER A 2 2.948 18.476 6.952 1.00 0.00 O ATOM 0 H SER A 2 2.849 20.199 10.289 1.00 0.00 H new ATOM 0 HA SER A 2 4.498 18.178 8.988 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.113 20.449 7.514 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.588 19.718 6.914 1.00 0.00 H new ATOM 0 HG SER A 2 2.753 17.806 7.640 1.00 0.00 H new ATOM 19 N SER A 3 6.336 19.568 9.869 1.00 0.00 N ATOM 20 CA SER A 3 7.471 20.356 10.335 1.00 0.00 C ATOM 21 C SER A 3 8.315 20.839 9.159 1.00 0.00 C ATOM 22 O SER A 3 9.083 20.075 8.576 1.00 0.00 O ATOM 23 CB SER A 3 8.334 19.532 11.292 1.00 0.00 C ATOM 24 OG SER A 3 9.522 20.224 11.632 1.00 0.00 O ATOM 0 H SER A 3 6.469 18.559 9.933 1.00 0.00 H new ATOM 0 HA SER A 3 7.084 21.226 10.865 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.768 19.309 12.196 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.585 18.577 10.830 1.00 0.00 H new ATOM 0 HG SER A 3 10.055 19.677 12.246 1.00 0.00 H new ATOM 30 N GLY A 4 8.167 22.115 8.817 1.00 0.00 N ATOM 31 CA GLY A 4 8.921 22.680 7.713 1.00 0.00 C ATOM 32 C GLY A 4 8.414 24.048 7.304 1.00 0.00 C ATOM 33 O GLY A 4 7.554 24.624 7.970 1.00 0.00 O ATOM 0 H GLY A 4 7.538 22.768 9.285 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.971 22.755 7.995 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.868 22.006 6.858 1.00 0.00 H new ATOM 37 N SER A 5 8.949 24.572 6.205 1.00 0.00 N ATOM 38 CA SER A 5 8.550 25.885 5.711 1.00 0.00 C ATOM 39 C SER A 5 8.045 25.794 4.274 1.00 0.00 C ATOM 40 O SER A 5 8.557 25.012 3.473 1.00 0.00 O ATOM 41 CB SER A 5 9.724 26.862 5.791 1.00 0.00 C ATOM 42 OG SER A 5 10.170 27.016 7.127 1.00 0.00 O ATOM 0 H SER A 5 9.660 24.107 5.640 1.00 0.00 H new ATOM 0 HA SER A 5 7.739 26.252 6.340 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.544 26.501 5.170 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.423 27.830 5.391 1.00 0.00 H new ATOM 0 HG SER A 5 10.922 27.644 7.151 1.00 0.00 H new ATOM 48 N SER A 6 7.037 26.600 3.956 1.00 0.00 N ATOM 49 CA SER A 6 6.460 26.609 2.617 1.00 0.00 C ATOM 50 C SER A 6 6.137 25.191 2.155 1.00 0.00 C ATOM 51 O SER A 6 6.335 24.845 0.991 1.00 0.00 O ATOM 52 CB SER A 6 7.420 27.273 1.629 1.00 0.00 C ATOM 53 OG SER A 6 7.564 28.655 1.907 1.00 0.00 O ATOM 0 H SER A 6 6.603 27.255 4.607 1.00 0.00 H new ATOM 0 HA SER A 6 5.533 27.181 2.652 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.394 26.785 1.680 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.050 27.140 0.612 1.00 0.00 H new ATOM 0 HG SER A 6 8.184 29.055 1.262 1.00 0.00 H new ATOM 59 N GLY A 7 5.637 24.374 3.078 1.00 0.00 N ATOM 60 CA GLY A 7 5.294 23.003 2.747 1.00 0.00 C ATOM 61 C GLY A 7 6.436 22.041 3.007 1.00 0.00 C ATOM 62 O GLY A 7 7.605 22.399 2.860 1.00 0.00 O ATOM 0 H GLY A 7 5.464 24.637 4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.426 22.698 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.008 22.947 1.697 1.00 0.00 H new ATOM 66 N LYS A 8 6.099 20.817 3.397 1.00 0.00 N ATOM 67 CA LYS A 8 7.104 19.799 3.679 1.00 0.00 C ATOM 68 C LYS A 8 6.727 18.468 3.036 1.00 0.00 C ATOM 69 O LYS A 8 5.587 18.015 3.146 1.00 0.00 O ATOM 70 CB LYS A 8 7.268 19.619 5.190 1.00 0.00 C ATOM 71 CG LYS A 8 8.388 18.668 5.572 1.00 0.00 C ATOM 72 CD LYS A 8 8.103 17.970 6.891 1.00 0.00 C ATOM 73 CE LYS A 8 7.183 16.773 6.701 1.00 0.00 C ATOM 74 NZ LYS A 8 6.708 16.227 8.002 1.00 0.00 N ATOM 0 H LYS A 8 5.136 20.505 3.525 1.00 0.00 H new ATOM 0 HA LYS A 8 8.051 20.132 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.458 20.591 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.331 19.250 5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.518 17.924 4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.325 19.220 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.040 17.642 7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.646 18.675 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.325 17.066 6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.710 15.994 6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.031 15.457 7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.518 15.861 8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.242 16.981 8.546 1.00 0.00 H new ATOM 88 N VAL A 9 7.691 17.846 2.366 1.00 0.00 N ATOM 89 CA VAL A 9 7.460 16.565 1.707 1.00 0.00 C ATOM 90 C VAL A 9 8.046 15.416 2.520 1.00 0.00 C ATOM 91 O VAL A 9 9.180 15.491 2.993 1.00 0.00 O ATOM 92 CB VAL A 9 8.070 16.543 0.293 1.00 0.00 C ATOM 93 CG1 VAL A 9 7.814 15.203 -0.378 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.513 17.684 -0.545 1.00 0.00 C ATOM 0 H VAL A 9 8.639 18.208 2.265 1.00 0.00 H new ATOM 0 HA VAL A 9 6.380 16.438 1.630 1.00 0.00 H new ATOM 0 HB VAL A 9 9.148 16.679 0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.252 15.206 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.266 14.407 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.740 15.033 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.955 17.653 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.431 17.582 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.754 18.635 -0.070 1.00 0.00 H new ATOM 104 N VAL A 10 7.266 14.352 2.678 1.00 0.00 N ATOM 105 CA VAL A 10 7.708 13.185 3.432 1.00 0.00 C ATOM 106 C VAL A 10 8.312 12.131 2.510 1.00 0.00 C ATOM 107 O VAL A 10 9.269 11.448 2.874 1.00 0.00 O ATOM 108 CB VAL A 10 6.546 12.554 4.222 1.00 0.00 C ATOM 109 CG1 VAL A 10 6.996 11.268 4.899 1.00 0.00 C ATOM 110 CG2 VAL A 10 5.999 13.541 5.243 1.00 0.00 C ATOM 0 H VAL A 10 6.324 14.274 2.294 1.00 0.00 H new ATOM 0 HA VAL A 10 8.469 13.530 4.132 1.00 0.00 H new ATOM 0 HB VAL A 10 5.746 12.307 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.162 10.837 5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.336 10.559 4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.813 11.486 5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.179 13.079 5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.790 13.820 5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.636 14.432 4.730 1.00 0.00 H new ATOM 120 N PHE A 11 7.747 12.006 1.314 1.00 0.00 N ATOM 121 CA PHE A 11 8.229 11.035 0.339 1.00 0.00 C ATOM 122 C PHE A 11 9.110 11.708 -0.710 1.00 0.00 C ATOM 123 O PHE A 11 9.405 12.899 -0.615 1.00 0.00 O ATOM 124 CB PHE A 11 7.051 10.335 -0.342 1.00 0.00 C ATOM 125 CG PHE A 11 6.241 9.481 0.592 1.00 0.00 C ATOM 126 CD1 PHE A 11 6.740 8.277 1.061 1.00 0.00 C ATOM 127 CD2 PHE A 11 4.979 9.883 0.999 1.00 0.00 C ATOM 128 CE1 PHE A 11 5.997 7.490 1.920 1.00 0.00 C ATOM 129 CE2 PHE A 11 4.231 9.100 1.859 1.00 0.00 C ATOM 130 CZ PHE A 11 4.740 7.902 2.319 1.00 0.00 C ATOM 0 H PHE A 11 6.955 12.565 0.997 1.00 0.00 H new ATOM 0 HA PHE A 11 8.827 10.293 0.869 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.401 11.087 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.428 9.714 -1.155 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.722 7.949 0.752 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.575 10.818 0.641 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.398 6.554 2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.249 9.425 2.171 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.157 7.288 2.989 1.00 0.00 H new ATOM 140 N ALA A 12 9.526 10.937 -1.709 1.00 0.00 N ATOM 141 CA ALA A 12 10.371 11.458 -2.776 1.00 0.00 C ATOM 142 C ALA A 12 9.612 12.464 -3.635 1.00 0.00 C ATOM 143 O ALA A 12 8.465 12.804 -3.345 1.00 0.00 O ATOM 144 CB ALA A 12 10.899 10.319 -3.635 1.00 0.00 C ATOM 0 H ALA A 12 9.291 9.949 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 12 11.215 11.974 -2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.529 10.723 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.485 9.639 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.062 9.778 -4.076 1.00 0.00 H new ATOM 150 N LYS A 13 10.260 12.938 -4.694 1.00 0.00 N ATOM 151 CA LYS A 13 9.647 13.905 -5.597 1.00 0.00 C ATOM 152 C LYS A 13 9.587 13.359 -7.019 1.00 0.00 C ATOM 153 O LYS A 13 8.845 13.868 -7.858 1.00 0.00 O ATOM 154 CB LYS A 13 10.430 15.220 -5.576 1.00 0.00 C ATOM 155 CG LYS A 13 11.923 15.043 -5.797 1.00 0.00 C ATOM 156 CD LYS A 13 12.660 14.839 -4.484 1.00 0.00 C ATOM 157 CE LYS A 13 14.128 14.515 -4.714 1.00 0.00 C ATOM 158 NZ LYS A 13 14.880 15.688 -5.239 1.00 0.00 N ATOM 0 H LYS A 13 11.210 12.668 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 13 8.629 14.090 -5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.033 15.882 -6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.269 15.714 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.096 14.187 -6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.323 15.919 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.576 15.739 -3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.191 14.030 -3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.578 14.185 -3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.211 13.686 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.880 15.431 -5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.478 15.977 -6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.809 16.476 -4.565 1.00 0.00 H new ATOM 172 N GLU A 14 10.373 12.319 -7.283 1.00 0.00 N ATOM 173 CA GLU A 14 10.407 11.704 -8.605 1.00 0.00 C ATOM 174 C GLU A 14 9.596 10.412 -8.626 1.00 0.00 C ATOM 175 O GLU A 14 9.889 9.496 -9.393 1.00 0.00 O ATOM 176 CB GLU A 14 11.851 11.419 -9.022 1.00 0.00 C ATOM 177 CG GLU A 14 12.760 11.056 -7.860 1.00 0.00 C ATOM 178 CD GLU A 14 14.182 10.767 -8.299 1.00 0.00 C ATOM 179 OE1 GLU A 14 14.386 9.781 -9.037 1.00 0.00 O ATOM 180 OE2 GLU A 14 15.091 11.527 -7.905 1.00 0.00 O ATOM 0 H GLU A 14 10.994 11.885 -6.600 1.00 0.00 H new ATOM 0 HA GLU A 14 9.962 12.403 -9.314 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.857 10.604 -9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.254 12.297 -9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.766 11.873 -7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.357 10.182 -7.348 1.00 0.00 H new ATOM 187 N GLN A 15 8.575 10.348 -7.776 1.00 0.00 N ATOM 188 CA GLN A 15 7.722 9.168 -7.696 1.00 0.00 C ATOM 189 C GLN A 15 6.263 9.533 -7.943 1.00 0.00 C ATOM 190 O GLN A 15 5.800 10.617 -7.585 1.00 0.00 O ATOM 191 CB GLN A 15 7.869 8.499 -6.328 1.00 0.00 C ATOM 192 CG GLN A 15 7.606 9.437 -5.161 1.00 0.00 C ATOM 193 CD GLN A 15 7.435 8.701 -3.847 1.00 0.00 C ATOM 194 OE1 GLN A 15 6.564 9.036 -3.043 1.00 0.00 O ATOM 195 NE2 GLN A 15 8.267 7.691 -3.622 1.00 0.00 N ATOM 0 H GLN A 15 8.319 11.098 -7.134 1.00 0.00 H new ATOM 0 HA GLN A 15 8.038 8.469 -8.470 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.180 7.657 -6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.877 8.093 -6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.433 10.142 -5.073 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.709 10.022 -5.365 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.974 7.448 -4.316 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.199 7.158 -2.755 1.00 0.00 H new ATOM 204 N PRO A 16 5.519 8.610 -8.570 1.00 0.00 N ATOM 205 CA PRO A 16 4.100 8.812 -8.879 1.00 0.00 C ATOM 206 C PRO A 16 3.228 8.808 -7.628 1.00 0.00 C ATOM 207 O PRO A 16 3.629 8.297 -6.582 1.00 0.00 O ATOM 208 CB PRO A 16 3.758 7.618 -9.773 1.00 0.00 C ATOM 209 CG PRO A 16 4.743 6.567 -9.395 1.00 0.00 C ATOM 210 CD PRO A 16 6.005 7.296 -9.024 1.00 0.00 C ATOM 0 HA PRO A 16 3.919 9.779 -9.348 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.735 7.280 -9.607 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.841 7.877 -10.828 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.376 5.971 -8.559 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.918 5.880 -10.223 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.553 6.777 -8.238 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.680 7.389 -9.875 1.00 0.00 H new ATOM 218 N ALA A 17 2.034 9.379 -7.743 1.00 0.00 N ATOM 219 CA ALA A 17 1.104 9.439 -6.621 1.00 0.00 C ATOM 220 C ALA A 17 0.525 8.062 -6.315 1.00 0.00 C ATOM 221 O ALA A 17 0.337 7.701 -5.153 1.00 0.00 O ATOM 222 CB ALA A 17 -0.012 10.430 -6.913 1.00 0.00 C ATOM 0 H ALA A 17 1.687 9.807 -8.602 1.00 0.00 H new ATOM 0 HA ALA A 17 1.654 9.777 -5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.699 10.464 -6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.414 11.420 -7.075 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.552 10.117 -7.806 1.00 0.00 H new ATOM 228 N HIS A 18 0.243 7.296 -7.365 1.00 0.00 N ATOM 229 CA HIS A 18 -0.316 5.958 -7.208 1.00 0.00 C ATOM 230 C HIS A 18 0.250 5.007 -8.258 1.00 0.00 C ATOM 231 O HIS A 18 0.216 5.295 -9.454 1.00 0.00 O ATOM 232 CB HIS A 18 -1.840 6.004 -7.313 1.00 0.00 C ATOM 233 CG HIS A 18 -2.442 4.739 -7.843 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.083 3.487 -7.391 1.00 0.00 N ATOM 235 CD2 HIS A 18 -3.385 4.538 -8.794 1.00 0.00 C ATOM 236 CE1 HIS A 18 -2.778 2.570 -8.041 1.00 0.00 C ATOM 237 NE2 HIS A 18 -3.576 3.182 -8.898 1.00 0.00 N ATOM 0 H HIS A 18 0.393 7.579 -8.333 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.039 5.588 -6.221 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.258 6.211 -6.328 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.127 6.832 -7.961 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.892 5.302 -9.364 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.706 1.502 -7.896 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.228 2.722 -9.534 1.00 0.00 H new ATOM 246 N ARG A 19 0.771 3.872 -7.802 1.00 0.00 N ATOM 247 CA ARG A 19 1.346 2.879 -8.701 1.00 0.00 C ATOM 248 C ARG A 19 0.439 1.657 -8.813 1.00 0.00 C ATOM 249 O ARG A 19 -0.349 1.373 -7.911 1.00 0.00 O ATOM 250 CB ARG A 19 2.731 2.456 -8.210 1.00 0.00 C ATOM 251 CG ARG A 19 3.745 3.588 -8.198 1.00 0.00 C ATOM 252 CD ARG A 19 5.092 3.125 -7.664 1.00 0.00 C ATOM 253 NE ARG A 19 6.179 4.006 -8.082 1.00 0.00 N ATOM 254 CZ ARG A 19 7.376 4.019 -7.508 1.00 0.00 C ATOM 255 NH1 ARG A 19 7.639 3.203 -6.497 1.00 0.00 N ATOM 256 NH2 ARG A 19 8.314 4.850 -7.945 1.00 0.00 N ATOM 0 H ARG A 19 0.806 3.618 -6.815 1.00 0.00 H new ATOM 0 HA ARG A 19 1.441 3.331 -9.688 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.641 2.049 -7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.103 1.653 -8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.868 3.978 -9.208 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.371 4.407 -7.583 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.056 3.085 -6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.292 2.112 -8.014 1.00 0.00 H new ATOM 0 HE ARG A 19 6.009 4.646 -8.857 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.921 2.563 -6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.560 3.215 -6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.116 5.480 -8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.233 4.859 -7.503 1.00 0.00 H new ATOM 270 N GLU A 20 0.556 0.939 -9.926 1.00 0.00 N ATOM 271 CA GLU A 20 -0.254 -0.251 -10.155 1.00 0.00 C ATOM 272 C GLU A 20 0.618 -1.502 -10.204 1.00 0.00 C ATOM 273 O GLU A 20 1.458 -1.652 -11.091 1.00 0.00 O ATOM 274 CB GLU A 20 -1.043 -0.114 -11.459 1.00 0.00 C ATOM 275 CG GLU A 20 -1.850 1.170 -11.551 1.00 0.00 C ATOM 276 CD GLU A 20 -2.459 1.379 -12.924 1.00 0.00 C ATOM 277 OE1 GLU A 20 -2.674 0.375 -13.636 1.00 0.00 O ATOM 278 OE2 GLU A 20 -2.721 2.545 -13.286 1.00 0.00 O ATOM 0 H GLU A 20 1.203 1.161 -10.682 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.953 -0.349 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.350 -0.158 -12.299 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.717 -0.965 -11.557 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.644 1.150 -10.805 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.207 2.017 -11.310 1.00 0.00 H new ATOM 285 N VAL A 21 0.412 -2.398 -9.244 1.00 0.00 N ATOM 286 CA VAL A 21 1.178 -3.636 -9.176 1.00 0.00 C ATOM 287 C VAL A 21 0.300 -4.843 -9.484 1.00 0.00 C ATOM 288 O VAL A 21 -0.830 -4.938 -9.006 1.00 0.00 O ATOM 289 CB VAL A 21 1.822 -3.823 -7.789 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.765 -5.017 -7.795 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.553 -2.558 -7.367 1.00 0.00 C ATOM 0 H VAL A 21 -0.280 -2.289 -8.502 1.00 0.00 H new ATOM 0 HA VAL A 21 1.965 -3.562 -9.926 1.00 0.00 H new ATOM 0 HB VAL A 21 1.032 -4.018 -7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.211 -5.134 -6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.209 -5.919 -8.051 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.552 -4.855 -8.531 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.002 -2.708 -6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.334 -2.330 -8.092 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.848 -1.728 -7.321 1.00 0.00 H new ATOM 301 N GLN A 22 0.828 -5.764 -10.284 1.00 0.00 N ATOM 302 CA GLN A 22 0.091 -6.966 -10.655 1.00 0.00 C ATOM 303 C GLN A 22 0.826 -8.220 -10.194 1.00 0.00 C ATOM 304 O GLN A 22 2.054 -8.286 -10.249 1.00 0.00 O ATOM 305 CB GLN A 22 -0.122 -7.012 -12.169 1.00 0.00 C ATOM 306 CG GLN A 22 -1.010 -8.159 -12.624 1.00 0.00 C ATOM 307 CD GLN A 22 -1.101 -8.263 -14.134 1.00 0.00 C ATOM 308 OE1 GLN A 22 -0.566 -7.424 -14.859 1.00 0.00 O ATOM 309 NE2 GLN A 22 -1.781 -9.297 -14.616 1.00 0.00 N ATOM 0 H GLN A 22 1.763 -5.701 -10.687 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.879 -6.934 -10.160 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.564 -6.070 -12.494 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.847 -7.096 -12.661 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.623 -9.095 -12.222 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.010 -8.025 -12.212 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.208 -9.968 -13.978 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.876 -9.420 -15.624 1.00 0.00 H new ATOM 318 N ALA A 23 0.068 -9.212 -9.740 1.00 0.00 N ATOM 319 CA ALA A 23 0.647 -10.464 -9.271 1.00 0.00 C ATOM 320 C ALA A 23 -0.278 -11.641 -9.561 1.00 0.00 C ATOM 321 O ALA A 23 -1.405 -11.457 -10.021 1.00 0.00 O ATOM 322 CB ALA A 23 0.948 -10.382 -7.782 1.00 0.00 C ATOM 0 H ALA A 23 -0.950 -9.173 -9.687 1.00 0.00 H new ATOM 0 HA ALA A 23 1.580 -10.628 -9.811 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.380 -11.324 -7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.654 -9.573 -7.598 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.025 -10.190 -7.234 1.00 0.00 H new ATOM 328 N GLU A 24 0.205 -12.849 -9.290 1.00 0.00 N ATOM 329 CA GLU A 24 -0.580 -14.055 -9.525 1.00 0.00 C ATOM 330 C GLU A 24 -1.054 -14.661 -8.206 1.00 0.00 C ATOM 331 O GLU A 24 -0.578 -14.290 -7.134 1.00 0.00 O ATOM 332 CB GLU A 24 0.243 -15.083 -10.304 1.00 0.00 C ATOM 333 CG GLU A 24 0.486 -14.695 -11.753 1.00 0.00 C ATOM 334 CD GLU A 24 0.692 -15.899 -12.652 1.00 0.00 C ATOM 335 OE1 GLU A 24 -0.048 -16.892 -12.494 1.00 0.00 O ATOM 336 OE2 GLU A 24 1.594 -15.847 -13.515 1.00 0.00 O ATOM 0 H GLU A 24 1.135 -13.019 -8.908 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.455 -13.779 -10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.203 -15.219 -9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.270 -16.044 -10.275 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.362 -14.115 -12.117 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.362 -14.049 -11.810 1.00 0.00 H new ATOM 343 N ALA A 25 -1.995 -15.595 -8.296 1.00 0.00 N ATOM 344 CA ALA A 25 -2.532 -16.254 -7.111 1.00 0.00 C ATOM 345 C ALA A 25 -1.499 -17.184 -6.484 1.00 0.00 C ATOM 346 O ALA A 25 -1.079 -18.164 -7.097 1.00 0.00 O ATOM 347 CB ALA A 25 -3.795 -17.026 -7.464 1.00 0.00 C ATOM 0 H ALA A 25 -2.401 -15.912 -9.176 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.781 -15.485 -6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.185 -17.513 -6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.543 -16.339 -7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.562 -17.780 -8.216 1.00 0.00 H new ATOM 353 N GLY A 26 -1.093 -16.869 -5.257 1.00 0.00 N ATOM 354 CA GLY A 26 -0.112 -17.686 -4.568 1.00 0.00 C ATOM 355 C GLY A 26 1.296 -17.141 -4.706 1.00 0.00 C ATOM 356 O GLY A 26 2.222 -17.623 -4.054 1.00 0.00 O ATOM 0 H GLY A 26 -1.426 -16.063 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.373 -17.748 -3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.146 -18.701 -4.964 1.00 0.00 H new ATOM 360 N ALA A 27 1.458 -16.134 -5.558 1.00 0.00 N ATOM 361 CA ALA A 27 2.763 -15.523 -5.779 1.00 0.00 C ATOM 362 C ALA A 27 3.094 -14.522 -4.677 1.00 0.00 C ATOM 363 O ALA A 27 2.236 -14.167 -3.870 1.00 0.00 O ATOM 364 CB ALA A 27 2.805 -14.846 -7.141 1.00 0.00 C ATOM 0 H ALA A 27 0.702 -15.724 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 27 3.515 -16.312 -5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.785 -14.394 -7.293 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.622 -15.585 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.038 -14.073 -7.187 1.00 0.00 H new ATOM 370 N SER A 28 4.344 -14.071 -4.650 1.00 0.00 N ATOM 371 CA SER A 28 4.790 -13.114 -3.644 1.00 0.00 C ATOM 372 C SER A 28 4.915 -11.716 -4.242 1.00 0.00 C ATOM 373 O SER A 28 5.884 -11.410 -4.936 1.00 0.00 O ATOM 374 CB SER A 28 6.132 -13.550 -3.054 1.00 0.00 C ATOM 375 OG SER A 28 7.184 -13.361 -3.984 1.00 0.00 O ATOM 0 H SER A 28 5.066 -14.353 -5.313 1.00 0.00 H new ATOM 0 HA SER A 28 4.044 -13.086 -2.850 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.337 -12.980 -2.148 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.082 -14.600 -2.765 1.00 0.00 H new ATOM 0 HG SER A 28 7.088 -12.485 -4.413 1.00 0.00 H new ATOM 381 N ALA A 29 3.926 -10.871 -3.968 1.00 0.00 N ATOM 382 CA ALA A 29 3.925 -9.505 -4.476 1.00 0.00 C ATOM 383 C ALA A 29 4.956 -8.648 -3.749 1.00 0.00 C ATOM 384 O ALA A 29 5.590 -9.097 -2.793 1.00 0.00 O ATOM 385 CB ALA A 29 2.539 -8.893 -4.343 1.00 0.00 C ATOM 0 H ALA A 29 3.115 -11.109 -3.397 1.00 0.00 H new ATOM 0 HA ALA A 29 4.196 -9.536 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.553 -7.873 -4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.824 -9.485 -4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.245 -8.882 -3.293 1.00 0.00 H new ATOM 391 N THR A 30 5.121 -7.411 -4.208 1.00 0.00 N ATOM 392 CA THR A 30 6.076 -6.492 -3.603 1.00 0.00 C ATOM 393 C THR A 30 5.756 -5.047 -3.968 1.00 0.00 C ATOM 394 O THR A 30 5.848 -4.655 -5.132 1.00 0.00 O ATOM 395 CB THR A 30 7.518 -6.812 -4.040 1.00 0.00 C ATOM 396 OG1 THR A 30 7.804 -8.196 -3.809 1.00 0.00 O ATOM 397 CG2 THR A 30 8.517 -5.950 -3.283 1.00 0.00 C ATOM 0 H THR A 30 4.605 -7.023 -4.997 1.00 0.00 H new ATOM 0 HA THR A 30 5.995 -6.618 -2.523 1.00 0.00 H new ATOM 0 HB THR A 30 7.608 -6.595 -5.104 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.216 -8.538 -3.103 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.528 -6.194 -3.609 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.315 -4.898 -3.484 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.424 -6.140 -2.214 1.00 0.00 H new ATOM 405 N LEU A 31 5.380 -4.258 -2.968 1.00 0.00 N ATOM 406 CA LEU A 31 5.047 -2.855 -3.183 1.00 0.00 C ATOM 407 C LEU A 31 6.141 -1.944 -2.635 1.00 0.00 C ATOM 408 O LEU A 31 6.178 -1.651 -1.440 1.00 0.00 O ATOM 409 CB LEU A 31 3.709 -2.520 -2.520 1.00 0.00 C ATOM 410 CG LEU A 31 2.619 -3.586 -2.632 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.424 -3.220 -1.766 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.195 -3.765 -4.082 1.00 0.00 C ATOM 0 H LEU A 31 5.298 -4.567 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 31 4.966 -2.688 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.889 -2.323 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.331 -1.595 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 31 3.025 -4.532 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.658 -3.990 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.739 -3.144 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.017 -2.263 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.419 -4.528 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.808 -2.822 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.054 -4.074 -4.677 1.00 0.00 H new ATOM 424 N SER A 32 7.030 -1.499 -3.518 1.00 0.00 N ATOM 425 CA SER A 32 8.126 -0.623 -3.122 1.00 0.00 C ATOM 426 C SER A 32 7.729 0.843 -3.264 1.00 0.00 C ATOM 427 O SER A 32 6.882 1.191 -4.088 1.00 0.00 O ATOM 428 CB SER A 32 9.368 -0.910 -3.969 1.00 0.00 C ATOM 429 OG SER A 32 10.333 0.117 -3.825 1.00 0.00 O ATOM 0 H SER A 32 7.012 -1.731 -4.511 1.00 0.00 H new ATOM 0 HA SER A 32 8.355 -0.820 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.802 -1.865 -3.672 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.084 -1.002 -5.017 1.00 0.00 H new ATOM 0 HG SER A 32 11.117 -0.091 -4.375 1.00 0.00 H new ATOM 435 N CYS A 33 8.346 1.698 -2.456 1.00 0.00 N ATOM 436 CA CYS A 33 8.057 3.127 -2.490 1.00 0.00 C ATOM 437 C CYS A 33 9.190 3.926 -1.854 1.00 0.00 C ATOM 438 O CYS A 33 9.574 3.674 -0.712 1.00 0.00 O ATOM 439 CB CYS A 33 6.741 3.420 -1.766 1.00 0.00 C ATOM 440 SG CYS A 33 6.506 2.467 -0.248 1.00 0.00 S ATOM 0 H CYS A 33 9.050 1.426 -1.769 1.00 0.00 H new ATOM 0 HA CYS A 33 7.964 3.429 -3.533 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.700 4.482 -1.525 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.912 3.214 -2.444 1.00 0.00 H new ATOM 0 HG CYS A 33 7.160 1.347 -0.333 1.00 0.00 H new ATOM 446 N GLU A 34 9.720 4.889 -2.601 1.00 0.00 N ATOM 447 CA GLU A 34 10.811 5.723 -2.110 1.00 0.00 C ATOM 448 C GLU A 34 10.311 6.710 -1.060 1.00 0.00 C ATOM 449 O GLU A 34 9.109 6.948 -0.937 1.00 0.00 O ATOM 450 CB GLU A 34 11.464 6.481 -3.268 1.00 0.00 C ATOM 451 CG GLU A 34 12.107 5.573 -4.303 1.00 0.00 C ATOM 452 CD GLU A 34 13.010 6.328 -5.260 1.00 0.00 C ATOM 453 OE1 GLU A 34 13.477 7.426 -4.893 1.00 0.00 O ATOM 454 OE2 GLU A 34 13.249 5.821 -6.376 1.00 0.00 O ATOM 0 H GLU A 34 9.412 5.111 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 34 11.552 5.071 -1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.711 7.099 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.221 7.156 -2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.686 4.802 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.327 5.065 -4.870 1.00 0.00 H new ATOM 461 N VAL A 35 11.242 7.283 -0.303 1.00 0.00 N ATOM 462 CA VAL A 35 10.897 8.245 0.737 1.00 0.00 C ATOM 463 C VAL A 35 11.871 9.418 0.745 1.00 0.00 C ATOM 464 O VAL A 35 12.926 9.366 0.115 1.00 0.00 O ATOM 465 CB VAL A 35 10.891 7.587 2.129 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.702 6.649 2.272 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.197 6.848 2.375 1.00 0.00 C ATOM 0 H VAL A 35 12.241 7.097 -0.391 1.00 0.00 H new ATOM 0 HA VAL A 35 9.895 8.610 0.512 1.00 0.00 H new ATOM 0 HB VAL A 35 10.797 8.370 2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.715 6.194 3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.777 7.212 2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.761 5.869 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.175 6.389 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.325 6.074 1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.029 7.550 2.320 1.00 0.00 H new ATOM 477 N ALA A 36 11.508 10.475 1.463 1.00 0.00 N ATOM 478 CA ALA A 36 12.351 11.661 1.556 1.00 0.00 C ATOM 479 C ALA A 36 13.387 11.513 2.665 1.00 0.00 C ATOM 480 O ALA A 36 14.453 12.126 2.615 1.00 0.00 O ATOM 481 CB ALA A 36 11.497 12.898 1.791 1.00 0.00 C ATOM 0 H ALA A 36 10.636 10.535 1.989 1.00 0.00 H new ATOM 0 HA ALA A 36 12.882 11.774 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.139 13.776 1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.799 13.021 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.940 12.784 2.721 1.00 0.00 H new ATOM 487 N GLN A 37 13.066 10.697 3.663 1.00 0.00 N ATOM 488 CA GLN A 37 13.970 10.470 4.785 1.00 0.00 C ATOM 489 C GLN A 37 13.841 9.043 5.309 1.00 0.00 C ATOM 490 O GLN A 37 12.739 8.574 5.592 1.00 0.00 O ATOM 491 CB GLN A 37 13.682 11.467 5.909 1.00 0.00 C ATOM 492 CG GLN A 37 14.015 12.905 5.547 1.00 0.00 C ATOM 493 CD GLN A 37 13.805 13.862 6.704 1.00 0.00 C ATOM 494 OE1 GLN A 37 12.671 14.173 7.069 1.00 0.00 O ATOM 495 NE2 GLN A 37 14.900 14.334 7.288 1.00 0.00 N ATOM 0 H GLN A 37 12.187 10.182 3.718 1.00 0.00 H new ATOM 0 HA GLN A 37 14.991 10.616 4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.628 11.404 6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.254 11.182 6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 37 15.052 12.962 5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.396 13.217 4.706 1.00 0.00 H new ATOM 0 HE21 GLN A 37 15.820 14.049 6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.821 14.981 8.072 1.00 0.00 H new ATOM 504 N ALA A 38 14.973 8.359 5.434 1.00 0.00 N ATOM 505 CA ALA A 38 14.986 6.987 5.925 1.00 0.00 C ATOM 506 C ALA A 38 14.636 6.931 7.408 1.00 0.00 C ATOM 507 O ALA A 38 13.917 6.037 7.852 1.00 0.00 O ATOM 508 CB ALA A 38 16.346 6.351 5.678 1.00 0.00 C ATOM 0 H ALA A 38 15.893 8.733 5.202 1.00 0.00 H new ATOM 0 HA ALA A 38 14.229 6.425 5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.341 5.326 6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.558 6.348 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.115 6.922 6.198 1.00 0.00 H new ATOM 514 N GLN A 39 15.150 7.893 8.169 1.00 0.00 N ATOM 515 CA GLN A 39 14.892 7.951 9.603 1.00 0.00 C ATOM 516 C GLN A 39 13.393 7.943 9.887 1.00 0.00 C ATOM 517 O GLN A 39 12.960 7.578 10.981 1.00 0.00 O ATOM 518 CB GLN A 39 15.531 9.203 10.207 1.00 0.00 C ATOM 519 CG GLN A 39 15.074 10.496 9.551 1.00 0.00 C ATOM 520 CD GLN A 39 15.415 11.721 10.376 1.00 0.00 C ATOM 521 OE1 GLN A 39 16.586 12.038 10.583 1.00 0.00 O ATOM 522 NE2 GLN A 39 14.390 12.418 10.852 1.00 0.00 N ATOM 0 H GLN A 39 15.747 8.642 7.817 1.00 0.00 H new ATOM 0 HA GLN A 39 15.335 7.068 10.063 1.00 0.00 H new ATOM 0 HB2 GLN A 39 15.297 9.243 11.271 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.615 9.125 10.121 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.537 10.584 8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.996 10.458 9.393 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.435 12.119 10.656 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.558 13.253 11.414 1.00 0.00 H new ATOM 531 N THR A 40 12.606 8.347 8.896 1.00 0.00 N ATOM 532 CA THR A 40 11.156 8.387 9.039 1.00 0.00 C ATOM 533 C THR A 40 10.550 6.996 8.895 1.00 0.00 C ATOM 534 O THR A 40 11.096 6.141 8.198 1.00 0.00 O ATOM 535 CB THR A 40 10.514 9.325 8.000 1.00 0.00 C ATOM 536 OG1 THR A 40 10.857 10.685 8.289 1.00 0.00 O ATOM 537 CG2 THR A 40 9.001 9.169 7.991 1.00 0.00 C ATOM 0 H THR A 40 12.948 8.651 7.985 1.00 0.00 H new ATOM 0 HA THR A 40 10.948 8.769 10.039 1.00 0.00 H new ATOM 0 HB THR A 40 10.897 9.056 7.015 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.446 11.275 7.623 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.570 9.842 7.249 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.743 8.140 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.604 9.413 8.976 1.00 0.00 H new ATOM 545 N GLU A 41 9.418 6.777 9.556 1.00 0.00 N ATOM 546 CA GLU A 41 8.738 5.488 9.500 1.00 0.00 C ATOM 547 C GLU A 41 7.441 5.591 8.704 1.00 0.00 C ATOM 548 O GLU A 41 6.853 6.667 8.589 1.00 0.00 O ATOM 549 CB GLU A 41 8.443 4.980 10.913 1.00 0.00 C ATOM 550 CG GLU A 41 7.406 5.808 11.653 1.00 0.00 C ATOM 551 CD GLU A 41 7.128 5.282 13.048 1.00 0.00 C ATOM 552 OE1 GLU A 41 7.304 4.066 13.269 1.00 0.00 O ATOM 553 OE2 GLU A 41 6.735 6.087 13.919 1.00 0.00 O ATOM 0 H GLU A 41 8.952 7.475 10.136 1.00 0.00 H new ATOM 0 HA GLU A 41 9.397 4.780 8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.097 3.948 10.854 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.369 4.974 11.488 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.750 6.840 11.720 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.478 5.818 11.081 1.00 0.00 H new ATOM 560 N VAL A 42 6.999 4.464 8.154 1.00 0.00 N ATOM 561 CA VAL A 42 5.771 4.426 7.369 1.00 0.00 C ATOM 562 C VAL A 42 4.848 3.311 7.846 1.00 0.00 C ATOM 563 O VAL A 42 5.297 2.322 8.426 1.00 0.00 O ATOM 564 CB VAL A 42 6.069 4.225 5.871 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.125 5.213 5.399 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.509 2.794 5.603 1.00 0.00 C ATOM 0 H VAL A 42 7.474 3.565 8.238 1.00 0.00 H new ATOM 0 HA VAL A 42 5.276 5.387 7.508 1.00 0.00 H new ATOM 0 HB VAL A 42 5.154 4.411 5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.322 5.056 4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.767 6.231 5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.044 5.062 5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.715 2.670 4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.411 2.577 6.175 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.716 2.108 5.901 1.00 0.00 H new ATOM 576 N THR A 43 3.552 3.477 7.598 1.00 0.00 N ATOM 577 CA THR A 43 2.564 2.485 8.003 1.00 0.00 C ATOM 578 C THR A 43 1.601 2.172 6.864 1.00 0.00 C ATOM 579 O THR A 43 0.837 3.034 6.429 1.00 0.00 O ATOM 580 CB THR A 43 1.757 2.963 9.225 1.00 0.00 C ATOM 581 OG1 THR A 43 2.646 3.399 10.259 1.00 0.00 O ATOM 582 CG2 THR A 43 0.865 1.849 9.753 1.00 0.00 C ATOM 0 H THR A 43 3.163 4.289 7.119 1.00 0.00 H new ATOM 0 HA THR A 43 3.113 1.582 8.270 1.00 0.00 H new ATOM 0 HB THR A 43 1.126 3.796 8.914 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.125 3.703 11.032 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.305 2.209 10.616 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.170 1.539 8.973 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.480 1.000 10.049 1.00 0.00 H new ATOM 590 N TRP A 44 1.641 0.934 6.385 1.00 0.00 N ATOM 591 CA TRP A 44 0.771 0.507 5.295 1.00 0.00 C ATOM 592 C TRP A 44 -0.677 0.403 5.764 1.00 0.00 C ATOM 593 O TRP A 44 -0.942 0.102 6.928 1.00 0.00 O ATOM 594 CB TRP A 44 1.238 -0.839 4.740 1.00 0.00 C ATOM 595 CG TRP A 44 2.586 -0.777 4.087 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.798 -0.942 4.693 1.00 0.00 C ATOM 597 CD2 TRP A 44 2.857 -0.531 2.703 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.807 -0.813 3.769 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.256 -0.561 2.541 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.055 -0.289 1.584 1.00 0.00 C ATOM 601 CZ2 TRP A 44 4.867 -0.358 1.306 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.662 -0.088 0.360 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.057 -0.124 0.228 1.00 0.00 C ATOM 0 H TRP A 44 2.267 0.208 6.734 1.00 0.00 H new ATOM 0 HA TRP A 44 0.825 1.256 4.505 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.268 -1.567 5.550 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.507 -1.198 4.015 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.943 -1.144 5.744 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.805 -0.892 3.966 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.979 -0.260 1.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.942 -0.384 1.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.051 0.100 -0.511 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.501 0.036 -0.743 1.00 0.00 H new ATOM 614 N TYR A 45 -1.609 0.652 4.851 1.00 0.00 N ATOM 615 CA TYR A 45 -3.030 0.588 5.172 1.00 0.00 C ATOM 616 C TYR A 45 -3.829 0.028 4.000 1.00 0.00 C ATOM 617 O TYR A 45 -3.918 0.649 2.941 1.00 0.00 O ATOM 618 CB TYR A 45 -3.553 1.977 5.543 1.00 0.00 C ATOM 619 CG TYR A 45 -2.977 2.516 6.833 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.490 2.124 8.064 1.00 0.00 C ATOM 621 CD2 TYR A 45 -1.921 3.419 6.823 1.00 0.00 C ATOM 622 CE1 TYR A 45 -2.969 2.614 9.245 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.392 3.914 7.999 1.00 0.00 C ATOM 624 CZ TYR A 45 -1.919 3.508 9.207 1.00 0.00 C ATOM 625 OH TYR A 45 -1.396 4.000 10.381 1.00 0.00 O ATOM 0 H TYR A 45 -1.406 0.900 3.883 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.154 -0.080 6.024 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.323 2.671 4.734 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.639 1.936 5.629 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.311 1.423 8.097 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.506 3.740 5.879 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.381 2.299 10.193 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.571 4.615 7.973 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.662 4.617 10.179 1.00 0.00 H new ATOM 635 N LYS A 46 -4.409 -1.151 4.198 1.00 0.00 N ATOM 636 CA LYS A 46 -5.203 -1.797 3.159 1.00 0.00 C ATOM 637 C LYS A 46 -6.692 -1.561 3.388 1.00 0.00 C ATOM 638 O LYS A 46 -7.182 -1.667 4.512 1.00 0.00 O ATOM 639 CB LYS A 46 -4.913 -3.299 3.128 1.00 0.00 C ATOM 640 CG LYS A 46 -5.517 -4.010 1.929 1.00 0.00 C ATOM 641 CD LYS A 46 -5.380 -5.519 2.048 1.00 0.00 C ATOM 642 CE LYS A 46 -6.368 -6.241 1.145 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.708 -6.372 1.781 1.00 0.00 N ATOM 0 H LYS A 46 -4.344 -1.679 5.068 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.927 -1.360 2.200 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.834 -3.452 3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.297 -3.754 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.571 -3.745 1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.025 -3.670 1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.364 -5.815 1.787 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.544 -5.820 3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.464 -5.698 0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.982 -7.231 0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.087 -7.323 1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.621 -6.223 2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.353 -5.661 1.381 1.00 0.00 H new ATOM 657 N ASP A 47 -7.407 -1.242 2.315 1.00 0.00 N ATOM 658 CA ASP A 47 -8.842 -0.994 2.398 1.00 0.00 C ATOM 659 C ASP A 47 -9.185 -0.204 3.657 1.00 0.00 C ATOM 660 O ASP A 47 -10.258 -0.371 4.234 1.00 0.00 O ATOM 661 CB ASP A 47 -9.612 -2.316 2.385 1.00 0.00 C ATOM 662 CG ASP A 47 -11.048 -2.145 1.931 1.00 0.00 C ATOM 663 OD1 ASP A 47 -11.260 -1.617 0.820 1.00 0.00 O ATOM 664 OD2 ASP A 47 -11.961 -2.538 2.688 1.00 0.00 O ATOM 0 H ASP A 47 -7.017 -1.149 1.377 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.134 -0.404 1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.107 -3.021 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.599 -2.750 3.385 1.00 0.00 H new ATOM 669 N GLY A 48 -8.263 0.657 4.079 1.00 0.00 N ATOM 670 CA GLY A 48 -8.486 1.459 5.268 1.00 0.00 C ATOM 671 C GLY A 48 -8.295 0.666 6.546 1.00 0.00 C ATOM 672 O GLY A 48 -8.999 0.884 7.532 1.00 0.00 O ATOM 0 H GLY A 48 -7.366 0.813 3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.801 2.307 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.497 1.866 5.244 1.00 0.00 H new ATOM 676 N LYS A 49 -7.340 -0.258 6.530 1.00 0.00 N ATOM 677 CA LYS A 49 -7.057 -1.087 7.696 1.00 0.00 C ATOM 678 C LYS A 49 -5.567 -1.078 8.022 1.00 0.00 C ATOM 679 O LYS A 49 -4.725 -1.133 7.125 1.00 0.00 O ATOM 680 CB LYS A 49 -7.528 -2.522 7.452 1.00 0.00 C ATOM 681 CG LYS A 49 -6.456 -3.423 6.864 1.00 0.00 C ATOM 682 CD LYS A 49 -6.946 -4.854 6.721 1.00 0.00 C ATOM 683 CE LYS A 49 -8.068 -4.960 5.700 1.00 0.00 C ATOM 684 NZ LYS A 49 -8.475 -6.373 5.468 1.00 0.00 N ATOM 0 H LYS A 49 -6.749 -0.452 5.722 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.599 -0.672 8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.872 -2.948 8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.385 -2.505 6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.154 -3.042 5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.572 -3.402 7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.117 -5.495 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.296 -5.218 7.687 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.928 -4.386 6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.745 -4.516 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.242 -6.403 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.661 -6.915 5.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.807 -6.790 6.361 1.00 0.00 H new ATOM 698 N LYS A 50 -5.248 -1.009 9.310 1.00 0.00 N ATOM 699 CA LYS A 50 -3.860 -0.996 9.755 1.00 0.00 C ATOM 700 C LYS A 50 -3.215 -2.365 9.566 1.00 0.00 C ATOM 701 O LYS A 50 -3.507 -3.307 10.303 1.00 0.00 O ATOM 702 CB LYS A 50 -3.779 -0.580 11.226 1.00 0.00 C ATOM 703 CG LYS A 50 -2.356 -0.435 11.739 1.00 0.00 C ATOM 704 CD LYS A 50 -2.331 0.006 13.193 1.00 0.00 C ATOM 705 CE LYS A 50 -0.933 -0.103 13.783 1.00 0.00 C ATOM 706 NZ LYS A 50 -0.609 -1.500 14.185 1.00 0.00 N ATOM 0 H LYS A 50 -5.933 -0.961 10.064 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.316 -0.272 9.148 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.302 0.368 11.356 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.302 -1.319 11.833 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.833 -1.386 11.637 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.820 0.291 11.128 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.680 1.036 13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.021 -0.607 13.773 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.202 0.244 13.052 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.852 0.553 14.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.352 -1.533 14.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.291 -1.822 14.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.661 -2.122 13.353 1.00 0.00 H new ATOM 720 N LEU A 51 -2.336 -2.468 8.576 1.00 0.00 N ATOM 721 CA LEU A 51 -1.647 -3.722 8.291 1.00 0.00 C ATOM 722 C LEU A 51 -0.580 -4.008 9.342 1.00 0.00 C ATOM 723 O LEU A 51 -0.125 -3.103 10.041 1.00 0.00 O ATOM 724 CB LEU A 51 -1.011 -3.673 6.901 1.00 0.00 C ATOM 725 CG LEU A 51 -1.979 -3.563 5.722 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.315 -2.858 4.550 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.473 -4.942 5.308 1.00 0.00 C ATOM 0 H LEU A 51 -2.083 -1.698 7.957 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.382 -4.526 8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.329 -2.823 6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.408 -4.571 6.768 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.838 -2.970 6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.019 -2.789 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.012 -1.856 4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.438 -3.423 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.161 -4.845 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.624 -5.559 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.988 -5.411 6.146 1.00 0.00 H new ATOM 739 N SER A 52 -0.183 -5.273 9.446 1.00 0.00 N ATOM 740 CA SER A 52 0.830 -5.678 10.413 1.00 0.00 C ATOM 741 C SER A 52 1.783 -6.703 9.804 1.00 0.00 C ATOM 742 O SER A 52 1.352 -7.690 9.208 1.00 0.00 O ATOM 743 CB SER A 52 0.169 -6.260 11.664 1.00 0.00 C ATOM 744 OG SER A 52 1.110 -6.424 12.710 1.00 0.00 O ATOM 0 H SER A 52 -0.547 -6.034 8.873 1.00 0.00 H new ATOM 0 HA SER A 52 1.404 -4.794 10.692 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.635 -5.602 11.994 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.285 -7.222 11.425 1.00 0.00 H new ATOM 0 HG SER A 52 0.662 -6.796 13.498 1.00 0.00 H new ATOM 750 N SER A 53 3.080 -6.461 9.959 1.00 0.00 N ATOM 751 CA SER A 53 4.095 -7.360 9.422 1.00 0.00 C ATOM 752 C SER A 53 4.025 -8.725 10.099 1.00 0.00 C ATOM 753 O SER A 53 4.461 -8.889 11.238 1.00 0.00 O ATOM 754 CB SER A 53 5.489 -6.758 9.607 1.00 0.00 C ATOM 755 OG SER A 53 6.456 -7.470 8.854 1.00 0.00 O ATOM 0 H SER A 53 3.453 -5.650 10.452 1.00 0.00 H new ATOM 0 HA SER A 53 3.902 -7.491 8.357 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.481 -5.713 9.299 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.760 -6.777 10.663 1.00 0.00 H new ATOM 0 HG SER A 53 7.354 -7.171 9.108 1.00 0.00 H new ATOM 761 N SER A 54 3.472 -9.703 9.388 1.00 0.00 N ATOM 762 CA SER A 54 3.340 -11.054 9.920 1.00 0.00 C ATOM 763 C SER A 54 3.936 -12.078 8.958 1.00 0.00 C ATOM 764 O SER A 54 4.268 -11.754 7.818 1.00 0.00 O ATOM 765 CB SER A 54 1.868 -11.381 10.181 1.00 0.00 C ATOM 766 OG SER A 54 1.739 -12.527 11.005 1.00 0.00 O ATOM 0 H SER A 54 3.108 -9.585 8.442 1.00 0.00 H new ATOM 0 HA SER A 54 3.889 -11.102 10.861 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.382 -10.530 10.658 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.356 -11.551 9.234 1.00 0.00 H new ATOM 0 HG SER A 54 0.789 -12.714 11.159 1.00 0.00 H new ATOM 772 N SER A 55 4.070 -13.314 9.428 1.00 0.00 N ATOM 773 CA SER A 55 4.630 -14.385 8.612 1.00 0.00 C ATOM 774 C SER A 55 4.168 -14.262 7.163 1.00 0.00 C ATOM 775 O SER A 55 4.911 -14.578 6.233 1.00 0.00 O ATOM 776 CB SER A 55 4.225 -15.749 9.175 1.00 0.00 C ATOM 777 OG SER A 55 4.847 -16.801 8.458 1.00 0.00 O ATOM 0 H SER A 55 3.799 -13.598 10.369 1.00 0.00 H new ATOM 0 HA SER A 55 5.716 -14.298 8.637 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.502 -15.808 10.228 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.142 -15.860 9.124 1.00 0.00 H new ATOM 0 HG SER A 55 4.574 -17.662 8.838 1.00 0.00 H new ATOM 783 N LYS A 56 2.936 -13.802 6.979 1.00 0.00 N ATOM 784 CA LYS A 56 2.372 -13.636 5.644 1.00 0.00 C ATOM 785 C LYS A 56 2.919 -12.378 4.976 1.00 0.00 C ATOM 786 O LYS A 56 3.546 -12.448 3.919 1.00 0.00 O ATOM 787 CB LYS A 56 0.845 -13.564 5.719 1.00 0.00 C ATOM 788 CG LYS A 56 0.167 -14.920 5.625 1.00 0.00 C ATOM 789 CD LYS A 56 -1.249 -14.799 5.086 1.00 0.00 C ATOM 790 CE LYS A 56 -1.269 -14.806 3.565 1.00 0.00 C ATOM 791 NZ LYS A 56 -1.371 -16.187 3.018 1.00 0.00 N ATOM 0 H LYS A 56 2.308 -13.537 7.738 1.00 0.00 H new ATOM 0 HA LYS A 56 2.660 -14.499 5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.558 -13.088 6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.480 -12.928 4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.749 -15.575 4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.144 -15.385 6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.854 -15.623 5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.702 -13.878 5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.111 -14.212 3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.363 -14.332 3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.569 -16.143 1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.474 -16.690 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.141 -16.695 3.498 1.00 0.00 H new ATOM 805 N VAL A 57 2.678 -11.229 5.599 1.00 0.00 N ATOM 806 CA VAL A 57 3.148 -9.957 5.066 1.00 0.00 C ATOM 807 C VAL A 57 4.334 -9.430 5.866 1.00 0.00 C ATOM 808 O VAL A 57 4.280 -9.348 7.093 1.00 0.00 O ATOM 809 CB VAL A 57 2.029 -8.898 5.070 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.506 -7.614 4.408 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.786 -9.435 4.378 1.00 0.00 C ATOM 0 H VAL A 57 2.159 -11.153 6.474 1.00 0.00 H new ATOM 0 HA VAL A 57 3.460 -10.141 4.038 1.00 0.00 H new ATOM 0 HB VAL A 57 1.771 -8.670 6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.702 -6.878 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.365 -7.222 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.793 -7.821 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.006 -8.674 4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.026 -9.692 3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.434 -10.324 4.901 1.00 0.00 H new ATOM 821 N ARG A 58 5.404 -9.074 5.163 1.00 0.00 N ATOM 822 CA ARG A 58 6.604 -8.556 5.808 1.00 0.00 C ATOM 823 C ARG A 58 6.911 -7.140 5.329 1.00 0.00 C ATOM 824 O ARG A 58 7.049 -6.895 4.131 1.00 0.00 O ATOM 825 CB ARG A 58 7.797 -9.471 5.525 1.00 0.00 C ATOM 826 CG ARG A 58 9.140 -8.846 5.868 1.00 0.00 C ATOM 827 CD ARG A 58 10.294 -9.747 5.461 1.00 0.00 C ATOM 828 NE ARG A 58 10.243 -11.041 6.135 1.00 0.00 N ATOM 829 CZ ARG A 58 10.830 -12.137 5.667 1.00 0.00 C ATOM 830 NH1 ARG A 58 11.510 -12.096 4.530 1.00 0.00 N ATOM 831 NH2 ARG A 58 10.738 -13.278 6.339 1.00 0.00 N ATOM 0 H ARG A 58 5.464 -9.135 4.147 1.00 0.00 H new ATOM 0 HA ARG A 58 6.424 -8.527 6.883 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.679 -10.393 6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.792 -9.744 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.234 -7.884 5.365 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.189 -8.652 6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.272 -9.899 4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.238 -9.254 5.694 1.00 0.00 H new ATOM 0 HE ARG A 58 9.729 -11.107 7.013 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.584 -11.221 4.011 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.959 -12.940 4.174 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.217 -13.313 7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.189 -14.119 5.979 1.00 0.00 H new ATOM 845 N VAL A 59 7.015 -6.210 6.274 1.00 0.00 N ATOM 846 CA VAL A 59 7.305 -4.819 5.949 1.00 0.00 C ATOM 847 C VAL A 59 8.802 -4.539 6.018 1.00 0.00 C ATOM 848 O VAL A 59 9.359 -4.355 7.100 1.00 0.00 O ATOM 849 CB VAL A 59 6.569 -3.855 6.899 1.00 0.00 C ATOM 850 CG1 VAL A 59 6.925 -2.412 6.576 1.00 0.00 C ATOM 851 CG2 VAL A 59 5.066 -4.073 6.819 1.00 0.00 C ATOM 0 H VAL A 59 6.903 -6.395 7.271 1.00 0.00 H new ATOM 0 HA VAL A 59 6.954 -4.652 4.931 1.00 0.00 H new ATOM 0 HB VAL A 59 6.889 -4.063 7.920 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.396 -1.745 7.257 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.000 -2.268 6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.635 -2.187 5.550 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.562 -3.384 7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.726 -3.893 5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.831 -5.099 7.104 1.00 0.00 H new ATOM 861 N GLU A 60 9.448 -4.509 4.856 1.00 0.00 N ATOM 862 CA GLU A 60 10.881 -4.251 4.786 1.00 0.00 C ATOM 863 C GLU A 60 11.158 -2.762 4.599 1.00 0.00 C ATOM 864 O GLU A 60 10.462 -2.080 3.848 1.00 0.00 O ATOM 865 CB GLU A 60 11.509 -5.046 3.639 1.00 0.00 C ATOM 866 CG GLU A 60 11.919 -6.456 4.029 1.00 0.00 C ATOM 867 CD GLU A 60 12.407 -7.270 2.846 1.00 0.00 C ATOM 868 OE1 GLU A 60 11.644 -7.411 1.868 1.00 0.00 O ATOM 869 OE2 GLU A 60 13.552 -7.766 2.900 1.00 0.00 O ATOM 0 H GLU A 60 9.002 -4.660 3.951 1.00 0.00 H new ATOM 0 HA GLU A 60 11.328 -4.570 5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.800 -5.098 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.385 -4.510 3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.707 -6.406 4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.071 -6.963 4.489 1.00 0.00 H new ATOM 876 N ALA A 61 12.180 -2.266 5.288 1.00 0.00 N ATOM 877 CA ALA A 61 12.551 -0.859 5.197 1.00 0.00 C ATOM 878 C ALA A 61 14.043 -0.701 4.922 1.00 0.00 C ATOM 879 O ALA A 61 14.840 -0.532 5.845 1.00 0.00 O ATOM 880 CB ALA A 61 12.168 -0.129 6.476 1.00 0.00 C ATOM 0 H ALA A 61 12.766 -2.817 5.915 1.00 0.00 H new ATOM 0 HA ALA A 61 12.006 -0.418 4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.451 0.921 6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.091 -0.204 6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.687 -0.580 7.322 1.00 0.00 H new ATOM 886 N VAL A 62 14.414 -0.757 3.647 1.00 0.00 N ATOM 887 CA VAL A 62 15.811 -0.620 3.251 1.00 0.00 C ATOM 888 C VAL A 62 16.162 0.837 2.971 1.00 0.00 C ATOM 889 O VAL A 62 15.336 1.731 3.150 1.00 0.00 O ATOM 890 CB VAL A 62 16.124 -1.462 2.000 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.333 -2.921 2.377 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.012 -1.322 0.972 1.00 0.00 C ATOM 0 H VAL A 62 13.767 -0.896 2.871 1.00 0.00 H new ATOM 0 HA VAL A 62 16.414 -0.982 4.084 1.00 0.00 H new ATOM 0 HB VAL A 62 17.047 -1.091 1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.553 -3.501 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 62 17.167 -3.001 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.429 -3.309 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.250 -1.924 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.072 -1.666 1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 62 14.916 -0.276 0.680 1.00 0.00 H new ATOM 902 N GLY A 63 17.394 1.069 2.529 1.00 0.00 N ATOM 903 CA GLY A 63 17.833 2.419 2.230 1.00 0.00 C ATOM 904 C GLY A 63 16.773 3.228 1.510 1.00 0.00 C ATOM 905 O GLY A 63 16.536 3.031 0.317 1.00 0.00 O ATOM 0 H GLY A 63 18.096 0.346 2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.103 2.924 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.733 2.377 1.616 1.00 0.00 H new ATOM 909 N CYS A 64 16.132 4.138 2.234 1.00 0.00 N ATOM 910 CA CYS A 64 15.088 4.978 1.657 1.00 0.00 C ATOM 911 C CYS A 64 14.233 4.184 0.675 1.00 0.00 C ATOM 912 O CYS A 64 14.059 4.583 -0.478 1.00 0.00 O ATOM 913 CB CYS A 64 15.708 6.185 0.952 1.00 0.00 C ATOM 914 SG CYS A 64 16.722 7.227 2.027 1.00 0.00 S ATOM 0 H CYS A 64 16.316 4.313 3.222 1.00 0.00 H new ATOM 0 HA CYS A 64 14.448 5.329 2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.321 5.832 0.122 1.00 0.00 H new ATOM 0 HB3 CYS A 64 14.910 6.791 0.524 1.00 0.00 H new ATOM 0 HG CYS A 64 17.204 8.220 1.340 1.00 0.00 H new ATOM 920 N THR A 65 13.702 3.057 1.137 1.00 0.00 N ATOM 921 CA THR A 65 12.867 2.205 0.299 1.00 0.00 C ATOM 922 C THR A 65 12.002 1.279 1.146 1.00 0.00 C ATOM 923 O THR A 65 12.515 0.451 1.899 1.00 0.00 O ATOM 924 CB THR A 65 13.719 1.356 -0.663 1.00 0.00 C ATOM 925 OG1 THR A 65 14.166 2.159 -1.761 1.00 0.00 O ATOM 926 CG2 THR A 65 12.923 0.170 -1.187 1.00 0.00 C ATOM 0 H THR A 65 13.835 2.712 2.088 1.00 0.00 H new ATOM 0 HA THR A 65 12.225 2.866 -0.283 1.00 0.00 H new ATOM 0 HB THR A 65 14.582 0.980 -0.113 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.148 3.104 -1.503 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.545 -0.415 -1.864 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.609 -0.455 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.044 0.530 -1.721 1.00 0.00 H new ATOM 934 N ARG A 66 10.687 1.423 1.017 1.00 0.00 N ATOM 935 CA ARG A 66 9.751 0.599 1.771 1.00 0.00 C ATOM 936 C ARG A 66 9.025 -0.380 0.852 1.00 0.00 C ATOM 937 O ARG A 66 8.138 0.009 0.091 1.00 0.00 O ATOM 938 CB ARG A 66 8.735 1.480 2.500 1.00 0.00 C ATOM 939 CG ARG A 66 9.368 2.612 3.292 1.00 0.00 C ATOM 940 CD ARG A 66 9.902 2.124 4.630 1.00 0.00 C ATOM 941 NE ARG A 66 10.615 3.175 5.351 1.00 0.00 N ATOM 942 CZ ARG A 66 11.872 3.519 5.096 1.00 0.00 C ATOM 943 NH1 ARG A 66 12.552 2.898 4.143 1.00 0.00 N ATOM 944 NH2 ARG A 66 12.452 4.486 5.796 1.00 0.00 N ATOM 0 H ARG A 66 10.246 2.103 0.397 1.00 0.00 H new ATOM 0 HA ARG A 66 10.319 0.028 2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.043 1.901 1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.147 0.859 3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.180 3.053 2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.631 3.398 3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.074 1.763 5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.570 1.279 4.467 1.00 0.00 H new ATOM 0 HE ARG A 66 10.120 3.672 6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.110 2.154 3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.517 3.164 3.949 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.932 4.966 6.531 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.418 4.749 5.599 1.00 0.00 H new ATOM 958 N ARG A 67 9.408 -1.650 0.928 1.00 0.00 N ATOM 959 CA ARG A 67 8.795 -2.683 0.102 1.00 0.00 C ATOM 960 C ARG A 67 7.959 -3.635 0.953 1.00 0.00 C ATOM 961 O ARG A 67 8.411 -4.112 1.996 1.00 0.00 O ATOM 962 CB ARG A 67 9.870 -3.467 -0.652 1.00 0.00 C ATOM 963 CG ARG A 67 10.635 -4.448 0.221 1.00 0.00 C ATOM 964 CD ARG A 67 11.817 -5.051 -0.521 1.00 0.00 C ATOM 965 NE ARG A 67 12.855 -5.521 0.392 1.00 0.00 N ATOM 966 CZ ARG A 67 13.903 -6.241 0.006 1.00 0.00 C ATOM 967 NH1 ARG A 67 14.050 -6.571 -1.270 1.00 0.00 N ATOM 968 NH2 ARG A 67 14.806 -6.631 0.896 1.00 0.00 N ATOM 0 H ARG A 67 10.140 -1.988 1.553 1.00 0.00 H new ATOM 0 HA ARG A 67 8.138 -2.195 -0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.402 -4.012 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.574 -2.765 -1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.988 -3.939 1.118 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.966 -5.243 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.473 -5.882 -1.137 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.239 -4.307 -1.197 1.00 0.00 H new ATOM 0 HE ARG A 67 12.771 -5.284 1.380 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.358 -6.272 -1.957 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.855 -7.124 -1.564 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.696 -6.378 1.878 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.610 -7.184 0.598 1.00 0.00 H new ATOM 982 N LEU A 68 6.739 -3.907 0.503 1.00 0.00 N ATOM 983 CA LEU A 68 5.840 -4.802 1.223 1.00 0.00 C ATOM 984 C LEU A 68 5.673 -6.122 0.478 1.00 0.00 C ATOM 985 O LEU A 68 4.982 -6.190 -0.539 1.00 0.00 O ATOM 986 CB LEU A 68 4.476 -4.137 1.418 1.00 0.00 C ATOM 987 CG LEU A 68 3.564 -4.771 2.469 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.802 -4.141 3.833 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.104 -4.631 2.063 1.00 0.00 C ATOM 0 H LEU A 68 6.350 -3.521 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 68 6.279 -5.010 2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.638 -3.094 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.952 -4.141 0.462 1.00 0.00 H new ATOM 0 HG LEU A 68 3.802 -5.833 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.144 -4.605 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.840 -4.293 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.592 -3.073 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.470 -5.088 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.853 -3.575 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.943 -5.130 1.108 1.00 0.00 H new ATOM 1001 N VAL A 69 6.309 -7.170 0.992 1.00 0.00 N ATOM 1002 CA VAL A 69 6.229 -8.490 0.377 1.00 0.00 C ATOM 1003 C VAL A 69 5.018 -9.261 0.888 1.00 0.00 C ATOM 1004 O VAL A 69 4.943 -9.611 2.067 1.00 0.00 O ATOM 1005 CB VAL A 69 7.501 -9.314 0.649 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.474 -10.614 -0.140 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.743 -8.502 0.312 1.00 0.00 C ATOM 0 H VAL A 69 6.885 -7.131 1.833 1.00 0.00 H new ATOM 0 HA VAL A 69 6.130 -8.334 -0.697 1.00 0.00 H new ATOM 0 HB VAL A 69 7.533 -9.562 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.381 -11.183 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.604 -11.200 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.418 -10.392 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.633 -9.099 0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.720 -8.223 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.766 -7.601 0.926 1.00 0.00 H new ATOM 1017 N VAL A 70 4.070 -9.525 -0.006 1.00 0.00 N ATOM 1018 CA VAL A 70 2.862 -10.258 0.354 1.00 0.00 C ATOM 1019 C VAL A 70 2.915 -11.692 -0.160 1.00 0.00 C ATOM 1020 O VAL A 70 2.616 -11.956 -1.324 1.00 0.00 O ATOM 1021 CB VAL A 70 1.602 -9.570 -0.204 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.382 -10.460 -0.020 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.392 -8.220 0.463 1.00 0.00 C ATOM 0 H VAL A 70 4.115 -9.242 -0.985 1.00 0.00 H new ATOM 0 HA VAL A 70 2.810 -10.268 1.443 1.00 0.00 H new ATOM 0 HB VAL A 70 1.743 -9.403 -1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.499 -9.957 -0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.535 -11.401 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.235 -10.660 1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.497 -7.748 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.272 -8.360 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.256 -7.583 0.274 1.00 0.00 H new ATOM 1033 N GLN A 71 3.298 -12.615 0.717 1.00 0.00 N ATOM 1034 CA GLN A 71 3.390 -14.023 0.351 1.00 0.00 C ATOM 1035 C GLN A 71 2.004 -14.622 0.137 1.00 0.00 C ATOM 1036 O GLN A 71 1.061 -14.300 0.859 1.00 0.00 O ATOM 1037 CB GLN A 71 4.135 -14.806 1.434 1.00 0.00 C ATOM 1038 CG GLN A 71 5.532 -14.277 1.714 1.00 0.00 C ATOM 1039 CD GLN A 71 6.588 -14.932 0.845 1.00 0.00 C ATOM 1040 OE1 GLN A 71 6.670 -16.158 0.765 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.405 -14.115 0.189 1.00 0.00 N ATOM 0 H GLN A 71 3.549 -12.413 1.685 1.00 0.00 H new ATOM 0 HA GLN A 71 3.945 -14.093 -0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.554 -14.779 2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.205 -15.851 1.132 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.548 -13.200 1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.776 -14.443 2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.301 -13.105 0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.136 -14.498 -0.410 1.00 0.00 H new ATOM 1050 N GLN A 72 1.889 -15.495 -0.859 1.00 0.00 N ATOM 1051 CA GLN A 72 0.617 -16.137 -1.168 1.00 0.00 C ATOM 1052 C GLN A 72 -0.451 -15.100 -1.498 1.00 0.00 C ATOM 1053 O GLN A 72 -1.566 -15.157 -0.981 1.00 0.00 O ATOM 1054 CB GLN A 72 0.159 -17.002 0.008 1.00 0.00 C ATOM 1055 CG GLN A 72 0.897 -18.327 0.113 1.00 0.00 C ATOM 1056 CD GLN A 72 0.749 -18.971 1.477 1.00 0.00 C ATOM 1057 OE1 GLN A 72 -0.258 -19.618 1.765 1.00 0.00 O ATOM 1058 NE2 GLN A 72 1.755 -18.796 2.326 1.00 0.00 N ATOM 0 H GLN A 72 2.661 -15.774 -1.465 1.00 0.00 H new ATOM 0 HA GLN A 72 0.763 -16.772 -2.042 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.298 -16.444 0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.909 -17.197 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.521 -19.009 -0.649 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.955 -18.167 -0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.571 -18.252 2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.712 -19.206 3.259 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.102 -14.153 -2.363 1.00 0.00 N ATOM 1068 CA ALA A 73 -1.031 -13.104 -2.763 1.00 0.00 C ATOM 1069 C ALA A 73 -2.341 -13.695 -3.272 1.00 0.00 C ATOM 1070 O ALA A 73 -2.385 -14.302 -4.341 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.401 -12.218 -3.828 1.00 0.00 C ATOM 0 H ALA A 73 0.818 -14.091 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.253 -12.497 -1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.106 -11.439 -4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.504 -11.759 -3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.149 -12.821 -4.700 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.407 -13.515 -2.498 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.704 -14.038 -2.887 1.00 0.00 C ATOM 1079 C GLY A 74 -5.783 -12.974 -2.884 1.00 0.00 C ATOM 1080 O GLY A 74 -5.550 -11.847 -2.447 1.00 0.00 O ATOM 0 H GLY A 74 -3.396 -13.016 -1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.632 -14.475 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.988 -14.841 -2.206 1.00 0.00 H new ATOM 1084 N GLN A 75 -6.966 -13.331 -3.373 1.00 0.00 N ATOM 1085 CA GLN A 75 -8.084 -12.397 -3.427 1.00 0.00 C ATOM 1086 C GLN A 75 -8.063 -11.454 -2.228 1.00 0.00 C ATOM 1087 O GLN A 75 -8.014 -10.234 -2.386 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.410 -13.157 -3.469 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.797 -13.628 -4.862 1.00 0.00 C ATOM 1090 CD GLN A 75 -9.862 -12.493 -5.865 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -10.843 -11.750 -5.915 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -8.815 -12.353 -6.670 1.00 0.00 N ATOM 0 H GLN A 75 -7.175 -14.260 -3.737 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.985 -11.803 -4.336 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.345 -14.021 -2.807 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.200 -12.515 -3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.075 -14.369 -5.204 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.766 -14.124 -4.817 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.024 -12.992 -6.593 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.802 -11.607 -7.365 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.101 -12.027 -1.030 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.085 -11.238 0.196 1.00 0.00 C ATOM 1103 C ALA A 76 -6.985 -10.183 0.155 1.00 0.00 C ATOM 1104 O ALA A 76 -7.228 -9.009 0.429 1.00 0.00 O ATOM 1105 CB ALA A 76 -7.906 -12.144 1.405 1.00 0.00 C ATOM 0 H ALA A 76 -8.143 -13.035 -0.882 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.042 -10.724 0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.896 -11.541 2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.730 -12.856 1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.964 -12.685 1.318 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.774 -10.611 -0.188 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.636 -9.702 -0.262 1.00 0.00 C ATOM 1113 C GLU A 77 -4.845 -8.658 -1.355 1.00 0.00 C ATOM 1114 O GLU A 77 -4.365 -7.529 -1.250 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.347 -10.483 -0.528 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.881 -11.309 0.659 1.00 0.00 C ATOM 1117 CD GLU A 77 -3.880 -12.378 1.055 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -4.246 -13.198 0.187 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -4.296 -12.396 2.232 1.00 0.00 O ATOM 0 H GLU A 77 -5.556 -11.580 -0.419 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.550 -9.189 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.502 -11.143 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.559 -9.783 -0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.928 -11.780 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.705 -10.649 1.509 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.563 -9.043 -2.405 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.837 -8.141 -3.516 1.00 0.00 C ATOM 1128 C ALA A 78 -6.755 -7.002 -3.086 1.00 0.00 C ATOM 1129 O ALA A 78 -7.856 -7.234 -2.588 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.451 -8.906 -4.678 1.00 0.00 C ATOM 0 H ALA A 78 -5.966 -9.974 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.891 -7.707 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.650 -8.219 -5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.759 -9.680 -5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.384 -9.368 -4.357 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.294 -5.770 -3.280 1.00 0.00 N ATOM 1137 CA GLY A 79 -7.087 -4.614 -2.905 1.00 0.00 C ATOM 1138 C GLY A 79 -6.358 -3.307 -3.150 1.00 0.00 C ATOM 1139 O GLY A 79 -5.856 -3.066 -4.247 1.00 0.00 O ATOM 0 H GLY A 79 -5.386 -5.552 -3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.019 -4.618 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.353 -4.686 -1.850 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.302 -2.462 -2.126 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.632 -1.172 -2.237 1.00 0.00 C ATOM 1145 C GLU A 80 -4.719 -0.928 -1.038 1.00 0.00 C ATOM 1146 O GLU A 80 -5.186 -0.781 0.091 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.661 -0.045 -2.346 1.00 0.00 C ATOM 1148 CG GLU A 80 -7.093 0.249 -3.773 1.00 0.00 C ATOM 1149 CD GLU A 80 -8.121 1.361 -3.854 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -7.730 2.539 -3.714 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -9.314 1.054 -4.056 1.00 0.00 O ATOM 0 H GLU A 80 -6.712 -2.647 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.022 -1.185 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.539 -0.308 -1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.243 0.861 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.219 0.523 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.507 -0.656 -4.217 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.416 -0.886 -1.294 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.437 -0.663 -0.236 1.00 0.00 C ATOM 1160 C TYR A 81 -2.004 0.800 -0.195 1.00 0.00 C ATOM 1161 O TYR A 81 -1.633 1.378 -1.216 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.217 -1.562 -0.444 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.456 -3.005 -0.061 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.141 -3.865 -0.911 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -0.998 -3.508 1.150 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.363 -5.184 -0.565 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.214 -4.826 1.503 1.00 0.00 C ATOM 1168 CZ TYR A 81 -1.897 -5.660 0.643 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.115 -6.973 0.992 1.00 0.00 O ATOM 0 H TYR A 81 -3.013 -1.003 -2.224 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.905 -0.912 0.716 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.918 -1.518 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.385 -1.172 0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.506 -3.496 -1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.464 -2.858 1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.898 -5.839 -1.237 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.850 -5.201 2.448 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.789 -7.362 0.397 1.00 0.00 H new ATOM 1179 N SER A 82 -2.054 1.391 0.995 1.00 0.00 N ATOM 1180 CA SER A 82 -1.670 2.787 1.171 1.00 0.00 C ATOM 1181 C SER A 82 -0.565 2.919 2.214 1.00 0.00 C ATOM 1182 O SER A 82 -0.790 2.698 3.405 1.00 0.00 O ATOM 1183 CB SER A 82 -2.882 3.622 1.588 1.00 0.00 C ATOM 1184 OG SER A 82 -4.019 3.297 0.806 1.00 0.00 O ATOM 0 H SER A 82 -2.356 0.925 1.851 1.00 0.00 H new ATOM 0 HA SER A 82 -1.292 3.157 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.101 3.450 2.642 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.652 4.682 1.479 1.00 0.00 H new ATOM 0 HG SER A 82 -4.780 3.843 1.093 1.00 0.00 H new ATOM 1190 N CYS A 83 0.630 3.279 1.759 1.00 0.00 N ATOM 1191 CA CYS A 83 1.772 3.440 2.651 1.00 0.00 C ATOM 1192 C CYS A 83 1.813 4.849 3.233 1.00 0.00 C ATOM 1193 O CYS A 83 2.364 5.766 2.625 1.00 0.00 O ATOM 1194 CB CYS A 83 3.074 3.145 1.905 1.00 0.00 C ATOM 1195 SG CYS A 83 4.558 3.271 2.931 1.00 0.00 S ATOM 0 H CYS A 83 0.833 3.465 0.777 1.00 0.00 H new ATOM 0 HA CYS A 83 1.663 2.731 3.472 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.020 2.141 1.485 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.165 3.836 1.067 1.00 0.00 H new ATOM 0 HG CYS A 83 5.579 2.801 2.277 1.00 0.00 H new ATOM 1201 N GLU A 84 1.224 5.013 4.414 1.00 0.00 N ATOM 1202 CA GLU A 84 1.192 6.312 5.076 1.00 0.00 C ATOM 1203 C GLU A 84 2.563 6.666 5.646 1.00 0.00 C ATOM 1204 O GLU A 84 3.372 5.786 5.938 1.00 0.00 O ATOM 1205 CB GLU A 84 0.147 6.313 6.194 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.475 7.677 6.444 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.296 7.719 7.718 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -2.505 7.413 7.655 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -0.729 8.057 8.778 1.00 0.00 O ATOM 0 H GLU A 84 0.763 4.264 4.931 1.00 0.00 H new ATOM 0 HA GLU A 84 0.921 7.063 4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.642 5.604 5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.612 5.961 7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.314 8.427 6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.109 7.943 5.599 1.00 0.00 H new ATOM 1216 N ALA A 85 2.816 7.962 5.801 1.00 0.00 N ATOM 1217 CA ALA A 85 4.086 8.433 6.337 1.00 0.00 C ATOM 1218 C ALA A 85 4.033 9.926 6.643 1.00 0.00 C ATOM 1219 O ALA A 85 3.975 10.755 5.735 1.00 0.00 O ATOM 1220 CB ALA A 85 5.215 8.133 5.361 1.00 0.00 C ATOM 0 H ALA A 85 2.158 8.704 5.563 1.00 0.00 H new ATOM 0 HA ALA A 85 4.276 7.903 7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.158 8.490 5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.276 7.057 5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.020 8.636 4.414 1.00 0.00 H new ATOM 1226 N GLY A 86 4.052 10.263 7.930 1.00 0.00 N ATOM 1227 CA GLY A 86 4.004 11.656 8.332 1.00 0.00 C ATOM 1228 C GLY A 86 2.687 12.318 7.976 1.00 0.00 C ATOM 1229 O GLY A 86 1.744 12.305 8.766 1.00 0.00 O ATOM 0 H GLY A 86 4.100 9.596 8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.163 11.726 9.408 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.820 12.197 7.853 1.00 0.00 H new ATOM 1233 N GLY A 87 2.623 12.901 6.783 1.00 0.00 N ATOM 1234 CA GLY A 87 1.409 13.564 6.346 1.00 0.00 C ATOM 1235 C GLY A 87 1.039 13.215 4.918 1.00 0.00 C ATOM 1236 O GLY A 87 0.294 13.946 4.267 1.00 0.00 O ATOM 0 H GLY A 87 3.390 12.926 6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.589 13.287 7.008 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.537 14.643 6.431 1.00 0.00 H new ATOM 1240 N GLN A 88 1.563 12.095 4.429 1.00 0.00 N ATOM 1241 CA GLN A 88 1.285 11.653 3.068 1.00 0.00 C ATOM 1242 C GLN A 88 1.166 10.134 3.003 1.00 0.00 C ATOM 1243 O GLN A 88 1.451 9.438 3.977 1.00 0.00 O ATOM 1244 CB GLN A 88 2.386 12.131 2.119 1.00 0.00 C ATOM 1245 CG GLN A 88 2.359 13.629 1.862 1.00 0.00 C ATOM 1246 CD GLN A 88 3.379 14.062 0.827 1.00 0.00 C ATOM 1247 OE1 GLN A 88 4.305 14.922 1.233 1.00 0.00 O flip ATOM 1248 NE2 GLN A 88 3.335 13.628 -0.324 1.00 0.00 N flip ATOM 0 H GLN A 88 2.182 11.478 4.955 1.00 0.00 H new ATOM 0 HA GLN A 88 0.334 12.088 2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.356 11.860 2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.289 11.606 1.169 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.363 13.919 1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.548 14.158 2.796 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.605 12.968 -0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.028 13.928 -1.009 1.00 0.00 H new ATOM 1257 N GLN A 89 0.744 9.627 1.849 1.00 0.00 N ATOM 1258 CA GLN A 89 0.587 8.190 1.658 1.00 0.00 C ATOM 1259 C GLN A 89 0.420 7.852 0.181 1.00 0.00 C ATOM 1260 O GLN A 89 -0.386 8.465 -0.520 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.618 7.678 2.450 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.956 8.063 1.838 1.00 0.00 C ATOM 1263 CD GLN A 89 -3.117 7.838 2.786 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -3.070 6.959 3.647 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -4.169 8.635 2.634 1.00 0.00 N ATOM 0 H GLN A 89 0.505 10.190 1.033 1.00 0.00 H new ATOM 0 HA GLN A 89 1.489 7.700 2.024 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.560 6.592 2.522 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.567 8.068 3.466 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.929 9.113 1.545 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.116 7.483 0.929 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.166 9.351 1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.980 8.531 3.244 1.00 0.00 H new ATOM 1274 N LEU A 90 1.188 6.874 -0.287 1.00 0.00 N ATOM 1275 CA LEU A 90 1.126 6.454 -1.683 1.00 0.00 C ATOM 1276 C LEU A 90 0.175 5.273 -1.855 1.00 0.00 C ATOM 1277 O LEU A 90 0.038 4.439 -0.960 1.00 0.00 O ATOM 1278 CB LEU A 90 2.521 6.078 -2.185 1.00 0.00 C ATOM 1279 CG LEU A 90 3.601 7.149 -2.032 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.969 6.507 -1.858 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.598 8.085 -3.232 1.00 0.00 C ATOM 0 H LEU A 90 1.861 6.357 0.279 1.00 0.00 H new ATOM 0 HA LEU A 90 0.748 7.290 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.847 5.183 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.447 5.814 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 90 3.381 7.734 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.725 7.285 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.966 5.879 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.198 5.896 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.373 8.841 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.793 7.514 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.626 8.572 -3.311 1.00 0.00 H new ATOM 1293 N SER A 91 -0.476 5.208 -3.011 1.00 0.00 N ATOM 1294 CA SER A 91 -1.415 4.131 -3.300 1.00 0.00 C ATOM 1295 C SER A 91 -0.741 3.025 -4.107 1.00 0.00 C ATOM 1296 O SER A 91 0.201 3.275 -4.859 1.00 0.00 O ATOM 1297 CB SER A 91 -2.625 4.671 -4.065 1.00 0.00 C ATOM 1298 OG SER A 91 -2.872 6.027 -3.737 1.00 0.00 O ATOM 0 H SER A 91 -0.371 5.889 -3.763 1.00 0.00 H new ATOM 0 HA SER A 91 -1.752 3.712 -2.352 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.452 4.579 -5.137 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.504 4.071 -3.831 1.00 0.00 H new ATOM 0 HG SER A 91 -3.649 6.349 -4.240 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.231 1.800 -3.945 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.676 0.655 -4.657 1.00 0.00 C ATOM 1306 C PHE A 92 -1.735 -0.427 -4.855 1.00 0.00 C ATOM 1307 O PHE A 92 -2.179 -1.059 -3.897 1.00 0.00 O ATOM 1308 CB PHE A 92 0.518 0.081 -3.891 1.00 0.00 C ATOM 1309 CG PHE A 92 1.771 0.896 -4.037 1.00 0.00 C ATOM 1310 CD1 PHE A 92 2.039 1.940 -3.166 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.680 0.619 -5.044 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.191 2.692 -3.298 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.834 1.368 -5.181 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.090 2.405 -4.306 1.00 0.00 C ATOM 0 H PHE A 92 -2.011 1.575 -3.327 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.341 0.995 -5.637 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.261 0.010 -2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.711 -0.933 -4.241 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.340 2.169 -2.375 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.485 -0.192 -5.731 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.388 3.504 -2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.534 1.142 -5.971 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.992 2.990 -4.410 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.135 -0.632 -6.106 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.142 -1.635 -6.430 1.00 0.00 C ATOM 1326 C ARG A 93 -2.496 -2.998 -6.664 1.00 0.00 C ATOM 1327 O ARG A 93 -1.637 -3.150 -7.534 1.00 0.00 O ATOM 1328 CB ARG A 93 -3.931 -1.213 -7.671 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.366 -1.712 -7.679 1.00 0.00 C ATOM 1330 CD ARG A 93 -5.431 -3.225 -7.544 1.00 0.00 C ATOM 1331 NE ARG A 93 -6.623 -3.781 -8.180 1.00 0.00 N ATOM 1332 CZ ARG A 93 -7.051 -5.022 -7.981 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -6.389 -5.833 -7.167 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.144 -5.455 -8.596 1.00 0.00 N ATOM 0 H ARG A 93 -1.777 -0.117 -6.911 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.824 -1.716 -5.584 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -3.933 -0.125 -7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.421 -1.585 -8.559 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.918 -1.249 -6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -5.853 -1.407 -8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.541 -3.667 -7.992 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -5.424 -3.495 -6.488 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.156 -3.183 -8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.549 -5.504 -6.692 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -6.720 -6.786 -7.016 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.656 -4.834 -9.223 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -8.472 -6.409 -8.442 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.915 -3.987 -5.882 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.378 -5.338 -6.003 1.00 0.00 C ATOM 1350 C LEU A 94 -3.393 -6.271 -6.656 1.00 0.00 C ATOM 1351 O LEU A 94 -4.349 -6.708 -6.017 1.00 0.00 O ATOM 1352 CB LEU A 94 -1.986 -5.877 -4.626 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.565 -7.346 -4.576 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.418 -7.606 -5.539 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.174 -7.740 -3.159 1.00 0.00 C ATOM 0 H LEU A 94 -3.625 -3.879 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.492 -5.295 -6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.166 -5.271 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.830 -5.738 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.414 -7.958 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.132 -8.657 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.733 -7.363 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.435 -6.985 -5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.877 -8.789 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.341 -7.121 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.024 -7.593 -2.493 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.175 -6.573 -7.932 1.00 0.00 N ATOM 1368 CA GLN A 95 -4.070 -7.455 -8.672 1.00 0.00 C ATOM 1369 C GLN A 95 -3.610 -8.906 -8.570 1.00 0.00 C ATOM 1370 O GLN A 95 -2.437 -9.212 -8.783 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.141 -7.031 -10.140 1.00 0.00 C ATOM 1372 CG GLN A 95 -4.810 -5.683 -10.352 1.00 0.00 C ATOM 1373 CD GLN A 95 -4.760 -5.228 -11.797 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -5.360 -5.847 -12.676 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -4.042 -4.140 -12.051 1.00 0.00 N ATOM 0 H GLN A 95 -2.387 -6.220 -8.475 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.064 -7.376 -8.231 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.131 -6.994 -10.548 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.685 -7.790 -10.703 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.850 -5.743 -10.030 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.324 -4.937 -9.723 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.561 -3.658 -11.292 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.972 -3.787 -13.005 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.542 -9.796 -8.245 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.233 -11.215 -8.116 1.00 0.00 C ATOM 1386 C VAL A 96 -4.938 -12.031 -9.193 1.00 0.00 C ATOM 1387 O VAL A 96 -6.153 -11.935 -9.364 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.638 -11.754 -6.731 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.354 -13.245 -6.635 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -3.913 -10.993 -5.631 1.00 0.00 C ATOM 0 H VAL A 96 -5.518 -9.559 -8.066 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.154 -11.316 -8.236 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.710 -11.603 -6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.646 -13.608 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.922 -13.774 -7.400 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.289 -13.423 -6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.211 -11.387 -4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.837 -11.111 -5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.172 -9.936 -5.689 1.00 0.00 H new ATOM 1400 N ALA A 97 -4.167 -12.835 -9.918 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.718 -13.670 -10.978 1.00 0.00 C ATOM 1402 C ALA A 97 -5.403 -14.905 -10.403 1.00 0.00 C ATOM 1403 O ALA A 97 -4.743 -15.855 -9.983 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.623 -14.077 -11.953 1.00 0.00 C ATOM 0 H ALA A 97 -3.159 -12.926 -9.790 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.467 -13.087 -11.514 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.049 -14.700 -12.739 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.181 -13.185 -12.397 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.853 -14.638 -11.422 1.00 0.00 H new ATOM 1410 N GLY A 98 -6.733 -14.886 -10.386 1.00 0.00 N ATOM 1411 CA GLY A 98 -7.485 -16.010 -9.860 1.00 0.00 C ATOM 1412 C GLY A 98 -7.305 -16.177 -8.364 1.00 0.00 C ATOM 1413 O GLY A 98 -7.196 -15.194 -7.632 1.00 0.00 O ATOM 0 H GLY A 98 -7.303 -14.112 -10.727 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.543 -15.872 -10.083 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.170 -16.923 -10.365 1.00 0.00 H new ATOM 1417 N GLN A 99 -7.277 -17.426 -7.909 1.00 0.00 N ATOM 1418 CA GLN A 99 -7.112 -17.718 -6.490 1.00 0.00 C ATOM 1419 C GLN A 99 -6.746 -19.183 -6.275 1.00 0.00 C ATOM 1420 O GLN A 99 -6.806 -19.990 -7.203 1.00 0.00 O ATOM 1421 CB GLN A 99 -8.395 -17.383 -5.727 1.00 0.00 C ATOM 1422 CG GLN A 99 -9.663 -17.779 -6.465 1.00 0.00 C ATOM 1423 CD GLN A 99 -10.908 -17.623 -5.613 1.00 0.00 C ATOM 1424 OE1 GLN A 99 -11.815 -16.863 -5.952 1.00 0.00 O ATOM 1425 NE2 GLN A 99 -10.956 -18.344 -4.499 1.00 0.00 N ATOM 0 H GLN A 99 -7.366 -18.251 -8.502 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.299 -17.100 -6.109 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.375 -17.887 -4.760 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.420 -16.312 -5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.762 -17.168 -7.362 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.579 -18.815 -6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.181 -18.961 -4.257 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.768 -18.281 -3.885 1.00 0.00 H new ATOM 1434 N CYS A 100 -6.367 -19.518 -5.047 1.00 0.00 N ATOM 1435 CA CYS A 100 -5.990 -20.886 -4.710 1.00 0.00 C ATOM 1436 C CYS A 100 -6.718 -21.358 -3.455 1.00 0.00 C ATOM 1437 O CYS A 100 -7.087 -20.553 -2.600 1.00 0.00 O ATOM 1438 CB CYS A 100 -4.478 -20.984 -4.504 1.00 0.00 C ATOM 1439 SG CYS A 100 -3.847 -22.678 -4.457 1.00 0.00 S ATOM 0 H CYS A 100 -6.313 -18.861 -4.268 1.00 0.00 H new ATOM 0 HA CYS A 100 -6.279 -21.531 -5.540 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -3.977 -20.443 -5.307 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -4.216 -20.484 -3.571 1.00 0.00 H new ATOM 0 HG CYS A 100 -2.559 -22.657 -4.281 1.00 0.00 H new ATOM 1445 N PHE A 101 -6.923 -22.667 -3.353 1.00 0.00 N ATOM 1446 CA PHE A 101 -7.609 -23.246 -2.204 1.00 0.00 C ATOM 1447 C PHE A 101 -7.158 -22.579 -0.908 1.00 0.00 C ATOM 1448 O PHE A 101 -7.978 -22.199 -0.074 1.00 0.00 O ATOM 1449 CB PHE A 101 -7.349 -24.752 -2.134 1.00 0.00 C ATOM 1450 CG PHE A 101 -7.664 -25.353 -0.794 1.00 0.00 C ATOM 1451 CD1 PHE A 101 -8.937 -25.820 -0.511 1.00 0.00 C ATOM 1452 CD2 PHE A 101 -6.686 -25.450 0.183 1.00 0.00 C ATOM 1453 CE1 PHE A 101 -9.230 -26.373 0.721 1.00 0.00 C ATOM 1454 CE2 PHE A 101 -6.973 -26.003 1.417 1.00 0.00 C ATOM 1455 CZ PHE A 101 -8.246 -26.464 1.687 1.00 0.00 C ATOM 0 H PHE A 101 -6.624 -23.347 -4.052 1.00 0.00 H new ATOM 0 HA PHE A 101 -8.678 -23.074 -2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.946 -25.252 -2.897 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -6.303 -24.943 -2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.710 -25.751 -1.262 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.689 -25.090 -0.022 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.227 -26.734 0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.202 -26.074 2.170 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.472 -26.895 2.651 1.00 0.00 H new ATOM 1465 N GLY A 102 -5.845 -22.442 -0.746 1.00 0.00 N ATOM 1466 CA GLY A 102 -5.306 -21.822 0.450 1.00 0.00 C ATOM 1467 C GLY A 102 -6.056 -20.563 0.839 1.00 0.00 C ATOM 1468 O GLY A 102 -5.633 -19.455 0.511 1.00 0.00 O ATOM 0 H GLY A 102 -5.146 -22.749 -1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.346 -22.534 1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.256 -21.580 0.288 1.00 0.00 H new TER 1472 GLY A 102