USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 577 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 158:sc= -0.418 (180deg=-1.37!) USER MOD Single : A 1 MET N :NH3+ -140:sc= -0.649 (180deg=-0.862) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 20:sc= -2.71! USER MOD Single : A 9 CYS SG : rot 28:sc= -0.562 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.183 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot -130:sc= 0 USER MOD Single : A 26 CYS SG : rot -23:sc= 0.143 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.371 K(o=-0.37,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 139:sc= -1.34 (180deg=-2.51!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN :FLIP amide:sc= -2.02 F(o=-5.4!,f=-2) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc=-0.00981 (180deg=-0.19) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 180:sc= -0.0524 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0704 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.592 -12.240 6.645 1.00 0.00 N ATOM 2 CA MET A 1 -8.317 -11.822 6.005 1.00 0.00 C ATOM 3 C MET A 1 -8.023 -10.349 6.270 1.00 0.00 C ATOM 4 O MET A 1 -8.727 -9.695 7.039 1.00 0.00 O ATOM 5 CB MET A 1 -8.419 -12.078 4.500 1.00 0.00 C ATOM 6 CG MET A 1 -8.858 -13.490 4.151 1.00 0.00 C ATOM 7 SD MET A 1 -7.711 -14.743 4.754 1.00 0.00 S ATOM 8 CE MET A 1 -8.680 -15.484 6.067 1.00 0.00 C ATOM 0 H1 MET A 1 -9.481 -13.190 7.052 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.839 -11.567 7.399 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.349 -12.255 5.932 1.00 0.00 H new ATOM 0 HA MET A 1 -7.497 -12.401 6.430 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.125 -11.370 4.067 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.450 -11.884 4.040 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.846 -13.674 4.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.952 -13.580 3.069 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.306 -16.487 6.274 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.600 -14.874 6.967 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.724 -15.542 5.760 1.00 0.00 H new ATOM 20 N TYR A 2 -6.978 -9.834 5.628 1.00 0.00 N ATOM 21 CA TYR A 2 -6.593 -8.438 5.794 1.00 0.00 C ATOM 22 C TYR A 2 -6.301 -7.786 4.446 1.00 0.00 C ATOM 23 O TYR A 2 -5.929 -8.458 3.483 1.00 0.00 O ATOM 24 CB TYR A 2 -5.366 -8.327 6.702 1.00 0.00 C ATOM 25 CG TYR A 2 -5.704 -8.103 8.159 1.00 0.00 C ATOM 26 CD1 TYR A 2 -6.218 -9.131 8.939 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.510 -6.862 8.754 1.00 0.00 C ATOM 28 CE1 TYR A 2 -6.528 -8.930 10.271 1.00 0.00 C ATOM 29 CE2 TYR A 2 -5.818 -6.653 10.085 1.00 0.00 C ATOM 30 CZ TYR A 2 -6.327 -7.691 10.838 1.00 0.00 C ATOM 31 OH TYR A 2 -6.635 -7.485 12.164 1.00 0.00 O ATOM 0 H TYR A 2 -6.384 -10.363 4.989 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.429 -7.913 6.257 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -4.775 -9.238 6.612 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.740 -7.505 6.353 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.378 -10.104 8.497 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.112 -6.048 8.167 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -6.926 -9.740 10.864 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -5.661 -5.683 10.533 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.433 -6.557 12.407 1.00 0.00 H new ATOM 41 N ILE A 3 -6.482 -6.472 4.386 1.00 0.00 N ATOM 42 CA ILE A 3 -6.246 -5.712 3.166 1.00 0.00 C ATOM 43 C ILE A 3 -5.337 -4.520 3.439 1.00 0.00 C ATOM 44 O ILE A 3 -5.198 -4.086 4.582 1.00 0.00 O ATOM 45 CB ILE A 3 -7.567 -5.191 2.571 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.384 -4.471 3.645 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.371 -6.330 1.967 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.290 -3.394 3.092 1.00 0.00 C ATOM 0 H ILE A 3 -6.794 -5.907 5.176 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.769 -6.387 2.456 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.331 -4.482 1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.988 -5.202 4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.703 -4.025 4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.300 -5.939 1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.791 -6.804 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.599 -7.064 2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.839 -2.925 3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.690 -2.642 2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.995 -3.837 2.389 1.00 0.00 H new ATOM 60 N ILE A 4 -4.749 -3.971 2.381 1.00 0.00 N ATOM 61 CA ILE A 4 -3.885 -2.805 2.512 1.00 0.00 C ATOM 62 C ILE A 4 -4.373 -1.685 1.588 1.00 0.00 C ATOM 63 O ILE A 4 -4.980 -1.945 0.550 1.00 0.00 O ATOM 64 CB ILE A 4 -2.410 -3.170 2.212 1.00 0.00 C ATOM 65 CG1 ILE A 4 -1.767 -3.803 3.450 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.605 -1.954 1.775 1.00 0.00 C ATOM 67 CD1 ILE A 4 -1.836 -5.314 3.468 1.00 0.00 C ATOM 0 H ILE A 4 -4.855 -4.314 1.426 1.00 0.00 H new ATOM 0 HA ILE A 4 -3.932 -2.451 3.542 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.406 -3.885 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.723 -3.496 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.259 -3.415 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.576 -2.252 1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.044 -1.533 0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.618 -1.205 2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.361 -5.689 4.374 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.879 -5.631 3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.318 -5.712 2.595 1.00 0.00 H new ATOM 79 N PHE A 5 -4.154 -0.441 1.994 1.00 0.00 N ATOM 80 CA PHE A 5 -4.612 0.706 1.214 1.00 0.00 C ATOM 81 C PHE A 5 -3.619 1.858 1.308 1.00 0.00 C ATOM 82 O PHE A 5 -2.475 1.664 1.716 1.00 0.00 O ATOM 83 CB PHE A 5 -5.990 1.163 1.693 1.00 0.00 C ATOM 84 CG PHE A 5 -6.328 0.746 3.096 1.00 0.00 C ATOM 85 CD1 PHE A 5 -6.894 -0.493 3.348 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.103 1.603 4.157 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.212 -0.875 4.637 1.00 0.00 C ATOM 88 CE2 PHE A 5 -6.428 1.232 5.445 1.00 0.00 C ATOM 89 CZ PHE A 5 -6.976 -0.009 5.687 1.00 0.00 C ATOM 0 H PHE A 5 -3.664 -0.199 2.855 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.685 0.397 0.171 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.042 2.250 1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.747 0.766 1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.089 -1.168 2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.668 2.574 3.975 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.644 -1.847 4.823 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.253 1.914 6.264 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.221 -0.304 6.697 1.00 0.00 H new ATOM 99 N ARG A 6 -4.052 3.059 0.919 1.00 0.00 N ATOM 100 CA ARG A 6 -3.173 4.223 0.948 1.00 0.00 C ATOM 101 C ARG A 6 -3.923 5.494 1.343 1.00 0.00 C ATOM 102 O ARG A 6 -4.884 5.892 0.685 1.00 0.00 O ATOM 103 CB ARG A 6 -2.515 4.421 -0.419 1.00 0.00 C ATOM 104 CG ARG A 6 -1.347 3.483 -0.678 1.00 0.00 C ATOM 105 CD ARG A 6 -0.061 4.251 -0.940 1.00 0.00 C ATOM 106 NE ARG A 6 0.305 4.244 -2.354 1.00 0.00 N ATOM 107 CZ ARG A 6 1.334 4.926 -2.852 1.00 0.00 C ATOM 108 NH1 ARG A 6 2.093 5.665 -2.056 1.00 0.00 N ATOM 109 NH2 ARG A 6 1.602 4.869 -4.150 1.00 0.00 N ATOM 0 H ARG A 6 -4.997 3.247 0.584 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.409 4.035 1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.265 4.277 -1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.167 5.451 -0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.210 2.825 0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.573 2.847 -1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.179 5.280 -0.602 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.748 3.814 -0.355 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.259 3.686 -2.995 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.890 5.713 -1.058 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.881 6.186 -2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.020 4.303 -4.767 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.391 5.392 -4.531 1.00 0.00 H new ATOM 123 N CYS A 7 -3.456 6.145 2.407 1.00 0.00 N ATOM 124 CA CYS A 7 -4.049 7.397 2.852 1.00 0.00 C ATOM 125 C CYS A 7 -3.570 8.543 1.968 1.00 0.00 C ATOM 126 O CYS A 7 -2.539 8.424 1.302 1.00 0.00 O ATOM 127 CB CYS A 7 -3.697 7.672 4.313 1.00 0.00 C ATOM 128 SG CYS A 7 -4.659 9.003 5.068 1.00 0.00 S ATOM 0 H CYS A 7 -2.671 5.824 2.973 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.133 7.316 2.772 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.846 6.759 4.889 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.638 7.921 4.379 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.748 9.193 4.384 1.00 0.00 H new ATOM 134 N ASP A 8 -4.278 9.671 2.024 1.00 0.00 N ATOM 135 CA ASP A 8 -3.958 10.822 1.182 1.00 0.00 C ATOM 136 C ASP A 8 -2.551 11.336 1.456 1.00 0.00 C ATOM 137 O ASP A 8 -1.941 11.979 0.600 1.00 0.00 O ATOM 138 CB ASP A 8 -4.974 11.943 1.412 1.00 0.00 C ATOM 139 CG ASP A 8 -5.166 12.259 2.883 1.00 0.00 C ATOM 140 OD1 ASP A 8 -4.193 12.700 3.529 1.00 0.00 O ATOM 141 OD2 ASP A 8 -6.293 12.066 3.388 1.00 0.00 O ATOM 0 H ASP A 8 -5.076 9.812 2.643 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.005 10.498 0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.643 12.841 0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.931 11.656 0.977 1.00 0.00 H new ATOM 146 N CYS A 9 -2.026 11.026 2.634 1.00 0.00 N ATOM 147 CA CYS A 9 -0.664 11.410 2.983 1.00 0.00 C ATOM 148 C CYS A 9 0.336 10.556 2.210 1.00 0.00 C ATOM 149 O CYS A 9 1.544 10.641 2.426 1.00 0.00 O ATOM 150 CB CYS A 9 -0.435 11.246 4.485 1.00 0.00 C ATOM 151 SG CYS A 9 -1.453 12.332 5.511 1.00 0.00 S ATOM 0 H CYS A 9 -2.521 10.511 3.362 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.519 12.457 2.717 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.635 10.211 4.761 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.616 11.437 4.704 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.560 12.606 4.887 1.00 0.00 H new ATOM 157 N GLY A 10 -0.189 9.723 1.315 1.00 0.00 N ATOM 158 CA GLY A 10 0.647 8.833 0.535 1.00 0.00 C ATOM 159 C GLY A 10 1.103 7.638 1.345 1.00 0.00 C ATOM 160 O GLY A 10 2.009 6.910 0.938 1.00 0.00 O ATOM 0 H GLY A 10 -1.187 9.650 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.095 8.490 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.517 9.378 0.170 1.00 0.00 H new ATOM 164 N ARG A 11 0.527 7.489 2.534 1.00 0.00 N ATOM 165 CA ARG A 11 0.879 6.380 3.418 1.00 0.00 C ATOM 166 C ARG A 11 0.090 5.119 3.067 1.00 0.00 C ATOM 167 O ARG A 11 -0.486 5.019 1.986 1.00 0.00 O ATOM 168 CB ARG A 11 0.666 6.770 4.886 1.00 0.00 C ATOM 169 CG ARG A 11 -0.773 6.655 5.361 1.00 0.00 C ATOM 170 CD ARG A 11 -0.848 6.206 6.812 1.00 0.00 C ATOM 171 NE ARG A 11 0.192 5.234 7.142 1.00 0.00 N ATOM 172 CZ ARG A 11 0.922 5.282 8.252 1.00 0.00 C ATOM 173 NH1 ARG A 11 0.726 6.249 9.139 1.00 0.00 N ATOM 174 NH2 ARG A 11 1.848 4.361 8.478 1.00 0.00 N ATOM 0 H ARG A 11 -0.183 8.119 2.908 1.00 0.00 H new ATOM 0 HA ARG A 11 1.936 6.158 3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.295 6.138 5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.003 7.797 5.030 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.271 7.618 5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.309 5.945 4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.753 7.074 7.465 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.827 5.768 7.005 1.00 0.00 H new ATOM 0 HE ARG A 11 0.368 4.475 6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.013 6.959 8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.288 6.283 9.990 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.001 3.615 7.800 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.408 4.399 9.330 1.00 0.00 H new ATOM 188 N ALA A 12 0.066 4.163 3.993 1.00 0.00 N ATOM 189 CA ALA A 12 -0.656 2.911 3.790 1.00 0.00 C ATOM 190 C ALA A 12 -1.051 2.289 5.126 1.00 0.00 C ATOM 191 O ALA A 12 -0.372 2.487 6.133 1.00 0.00 O ATOM 192 CB ALA A 12 0.193 1.939 2.985 1.00 0.00 C ATOM 0 H ALA A 12 0.540 4.233 4.893 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.567 3.128 3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.357 1.009 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.426 2.377 2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.119 1.733 3.522 1.00 0.00 H new ATOM 198 N LEU A 13 -2.152 1.539 5.135 1.00 0.00 N ATOM 199 CA LEU A 13 -2.616 0.894 6.362 1.00 0.00 C ATOM 200 C LEU A 13 -3.183 -0.498 6.084 1.00 0.00 C ATOM 201 O LEU A 13 -3.096 -1.004 4.964 1.00 0.00 O ATOM 202 CB LEU A 13 -3.669 1.760 7.053 1.00 0.00 C ATOM 203 CG LEU A 13 -3.118 2.743 8.088 1.00 0.00 C ATOM 204 CD1 LEU A 13 -3.788 4.100 7.942 1.00 0.00 C ATOM 205 CD2 LEU A 13 -3.308 2.198 9.495 1.00 0.00 C ATOM 0 H LEU A 13 -2.734 1.364 4.316 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.756 0.781 7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.212 2.322 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.391 1.107 7.543 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.050 2.868 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.384 4.787 8.686 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.598 4.494 6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.862 3.993 8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.910 2.910 10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.370 2.043 9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.780 1.249 9.592 1.00 0.00 H new ATOM 217 N TYR A 14 -3.754 -1.114 7.118 1.00 0.00 N ATOM 218 CA TYR A 14 -4.319 -2.457 7.005 1.00 0.00 C ATOM 219 C TYR A 14 -5.663 -2.551 7.728 1.00 0.00 C ATOM 220 O TYR A 14 -5.845 -1.967 8.796 1.00 0.00 O ATOM 221 CB TYR A 14 -3.347 -3.485 7.587 1.00 0.00 C ATOM 222 CG TYR A 14 -2.794 -3.100 8.941 1.00 0.00 C ATOM 223 CD1 TYR A 14 -1.639 -2.334 9.050 1.00 0.00 C ATOM 224 CD2 TYR A 14 -3.424 -3.504 10.112 1.00 0.00 C ATOM 225 CE1 TYR A 14 -1.130 -1.981 10.285 1.00 0.00 C ATOM 226 CE2 TYR A 14 -2.921 -3.154 11.351 1.00 0.00 C ATOM 227 CZ TYR A 14 -1.775 -2.393 11.432 1.00 0.00 C ATOM 228 OH TYR A 14 -1.272 -2.043 12.664 1.00 0.00 O ATOM 0 H TYR A 14 -3.838 -0.702 8.047 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.481 -2.668 5.948 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.855 -4.445 7.672 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.519 -3.623 6.892 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.131 -2.009 8.154 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.322 -4.101 10.053 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.232 -1.385 10.352 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.424 -3.475 12.251 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.845 -2.412 13.368 1.00 0.00 H new ATOM 238 N SER A 15 -6.598 -3.297 7.143 1.00 0.00 N ATOM 239 CA SER A 15 -7.920 -3.486 7.739 1.00 0.00 C ATOM 240 C SER A 15 -8.547 -4.791 7.259 1.00 0.00 C ATOM 241 O SER A 15 -7.888 -5.606 6.616 1.00 0.00 O ATOM 242 CB SER A 15 -8.839 -2.312 7.394 1.00 0.00 C ATOM 243 OG SER A 15 -10.009 -2.326 8.194 1.00 0.00 O ATOM 0 H SER A 15 -6.465 -3.781 6.255 1.00 0.00 H new ATOM 0 HA SER A 15 -7.797 -3.533 8.821 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.305 -1.373 7.542 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.115 -2.360 6.341 1.00 0.00 H new ATOM 0 HG SER A 15 -10.578 -1.565 7.955 1.00 0.00 H new ATOM 249 N ARG A 16 -9.820 -4.988 7.583 1.00 0.00 N ATOM 250 CA ARG A 16 -10.531 -6.193 7.172 1.00 0.00 C ATOM 251 C ARG A 16 -10.901 -6.134 5.694 1.00 0.00 C ATOM 252 O ARG A 16 -11.205 -5.065 5.163 1.00 0.00 O ATOM 253 CB ARG A 16 -11.795 -6.380 8.011 1.00 0.00 C ATOM 254 CG ARG A 16 -11.753 -7.607 8.906 1.00 0.00 C ATOM 255 CD ARG A 16 -12.982 -8.481 8.714 1.00 0.00 C ATOM 256 NE ARG A 16 -14.220 -7.711 8.787 1.00 0.00 N ATOM 257 CZ ARG A 16 -15.126 -7.858 9.750 1.00 0.00 C ATOM 258 NH1 ARG A 16 -14.932 -8.741 10.719 1.00 0.00 N ATOM 259 NH2 ARG A 16 -16.228 -7.120 9.743 1.00 0.00 N ATOM 0 H ARG A 16 -10.379 -4.331 8.127 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.866 -7.042 7.330 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.946 -5.495 8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.655 -6.455 7.346 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.856 -8.187 8.688 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.686 -7.296 9.948 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.923 -8.981 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.995 -9.260 9.476 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.401 -7.021 8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.086 -9.311 10.728 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.629 -8.851 11.456 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.381 -6.439 8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.922 -7.233 10.482 1.00 0.00 H new ATOM 273 N GLU A 17 -10.872 -7.288 5.039 1.00 0.00 N ATOM 274 CA GLU A 17 -11.212 -7.378 3.624 1.00 0.00 C ATOM 275 C GLU A 17 -12.608 -6.824 3.354 1.00 0.00 C ATOM 276 O GLU A 17 -13.609 -7.453 3.696 1.00 0.00 O ATOM 277 CB GLU A 17 -11.128 -8.830 3.152 1.00 0.00 C ATOM 278 CG GLU A 17 -10.822 -8.973 1.669 1.00 0.00 C ATOM 279 CD GLU A 17 -10.748 -10.419 1.224 1.00 0.00 C ATOM 280 OE1 GLU A 17 -10.330 -11.272 2.036 1.00 0.00 O ATOM 281 OE2 GLU A 17 -11.108 -10.702 0.062 1.00 0.00 O ATOM 0 H GLU A 17 -10.616 -8.178 5.467 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.493 -6.776 3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.357 -9.345 3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.073 -9.329 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.591 -8.459 1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.875 -8.480 1.448 1.00 0.00 H new ATOM 288 N GLY A 18 -12.669 -5.650 2.730 1.00 0.00 N ATOM 289 CA GLY A 18 -13.953 -5.048 2.413 1.00 0.00 C ATOM 290 C GLY A 18 -13.973 -3.546 2.625 1.00 0.00 C ATOM 291 O GLY A 18 -14.960 -2.883 2.304 1.00 0.00 O ATOM 0 H GLY A 18 -11.856 -5.107 2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.204 -5.266 1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -14.725 -5.507 3.030 1.00 0.00 H new ATOM 295 N ALA A 19 -12.889 -3.007 3.176 1.00 0.00 N ATOM 296 CA ALA A 19 -12.795 -1.572 3.425 1.00 0.00 C ATOM 297 C ALA A 19 -12.570 -0.803 2.127 1.00 0.00 C ATOM 298 O ALA A 19 -11.519 -0.927 1.497 1.00 0.00 O ATOM 299 CB ALA A 19 -11.682 -1.277 4.420 1.00 0.00 C ATOM 0 H ALA A 19 -12.066 -3.540 3.458 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.741 -1.241 3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.625 -0.203 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.890 -1.787 5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.732 -1.630 4.019 1.00 0.00 H new ATOM 305 N LYS A 20 -13.568 -0.019 1.726 1.00 0.00 N ATOM 306 CA LYS A 20 -13.475 0.776 0.505 1.00 0.00 C ATOM 307 C LYS A 20 -12.873 2.146 0.795 1.00 0.00 C ATOM 308 O LYS A 20 -12.021 2.636 0.051 1.00 0.00 O ATOM 309 CB LYS A 20 -14.859 0.939 -0.128 1.00 0.00 C ATOM 310 CG LYS A 20 -15.172 -0.106 -1.185 1.00 0.00 C ATOM 311 CD LYS A 20 -15.309 -1.491 -0.576 1.00 0.00 C ATOM 312 CE LYS A 20 -16.763 -1.927 -0.503 1.00 0.00 C ATOM 313 NZ LYS A 20 -17.164 -2.730 -1.691 1.00 0.00 N ATOM 0 H LYS A 20 -14.450 0.082 2.229 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.823 0.251 -0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.615 0.889 0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.930 1.930 -0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.096 0.160 -1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.381 -0.114 -1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.743 -2.208 -1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.877 -1.494 0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.921 -2.514 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.402 -1.047 -0.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.162 -3.007 -1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.038 -2.162 -2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.572 -3.583 -1.749 1.00 0.00 H new ATOM 327 N THR A 21 -13.324 2.761 1.881 1.00 0.00 N ATOM 328 CA THR A 21 -12.831 4.074 2.273 1.00 0.00 C ATOM 329 C THR A 21 -12.734 4.187 3.788 1.00 0.00 C ATOM 330 O THR A 21 -13.743 4.149 4.492 1.00 0.00 O ATOM 331 CB THR A 21 -13.744 5.171 1.725 1.00 0.00 C ATOM 332 OG1 THR A 21 -15.102 4.768 1.778 1.00 0.00 O ATOM 333 CG2 THR A 21 -13.432 5.547 0.294 1.00 0.00 C ATOM 0 H THR A 21 -14.030 2.371 2.505 1.00 0.00 H new ATOM 0 HA THR A 21 -11.833 4.200 1.852 1.00 0.00 H new ATOM 0 HB THR A 21 -13.566 6.039 2.360 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.670 5.484 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.116 6.330 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.406 5.910 0.229 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.549 4.672 -0.346 1.00 0.00 H new ATOM 341 N ARG A 22 -11.510 4.322 4.283 1.00 0.00 N ATOM 342 CA ARG A 22 -11.272 4.453 5.714 1.00 0.00 C ATOM 343 C ARG A 22 -11.316 5.918 6.128 1.00 0.00 C ATOM 344 O ARG A 22 -11.633 6.790 5.319 1.00 0.00 O ATOM 345 CB ARG A 22 -9.919 3.843 6.086 1.00 0.00 C ATOM 346 CG ARG A 22 -10.011 2.406 6.571 1.00 0.00 C ATOM 347 CD ARG A 22 -10.241 2.337 8.071 1.00 0.00 C ATOM 348 NE ARG A 22 -11.628 2.013 8.399 1.00 0.00 N ATOM 349 CZ ARG A 22 -12.216 2.355 9.541 1.00 0.00 C ATOM 350 NH1 ARG A 22 -11.541 3.029 10.463 1.00 0.00 N ATOM 351 NH2 ARG A 22 -13.480 2.022 9.764 1.00 0.00 N ATOM 0 H ARG A 22 -10.665 4.344 3.712 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.058 3.916 6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.261 3.883 5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.457 4.451 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.825 1.898 6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.093 1.876 6.318 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.581 1.586 8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.976 3.293 8.523 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.176 1.495 7.712 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.568 3.286 10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.995 3.290 11.338 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.003 1.503 9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.930 2.285 10.641 1.00 0.00 H new ATOM 365 N LYS A 23 -10.994 6.186 7.387 1.00 0.00 N ATOM 366 CA LYS A 23 -11.000 7.548 7.897 1.00 0.00 C ATOM 367 C LYS A 23 -9.972 7.717 9.005 1.00 0.00 C ATOM 368 O LYS A 23 -9.790 6.830 9.840 1.00 0.00 O ATOM 369 CB LYS A 23 -12.393 7.913 8.414 1.00 0.00 C ATOM 370 CG LYS A 23 -12.534 9.377 8.799 1.00 0.00 C ATOM 371 CD LYS A 23 -13.989 9.819 8.783 1.00 0.00 C ATOM 372 CE LYS A 23 -14.168 11.121 8.019 1.00 0.00 C ATOM 373 NZ LYS A 23 -14.265 12.293 8.932 1.00 0.00 N ATOM 0 H LYS A 23 -10.726 5.479 8.071 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.737 8.219 7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.130 7.675 7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.624 7.294 9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.115 9.535 9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.958 9.993 8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.601 9.041 8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.343 9.945 9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.329 11.260 7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.068 11.062 7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.386 13.161 8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.081 12.173 9.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.395 12.365 9.498 1.00 0.00 H new ATOM 387 N CYS A 24 -9.301 8.858 9.000 1.00 0.00 N ATOM 388 CA CYS A 24 -8.297 9.158 10.006 1.00 0.00 C ATOM 389 C CYS A 24 -8.895 10.020 11.107 1.00 0.00 C ATOM 390 O CYS A 24 -9.339 11.142 10.864 1.00 0.00 O ATOM 391 CB CYS A 24 -7.100 9.867 9.371 1.00 0.00 C ATOM 392 SG CYS A 24 -5.507 9.421 10.100 1.00 0.00 S ATOM 0 H CYS A 24 -9.435 9.594 8.307 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.954 8.220 10.443 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.078 9.636 8.306 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.240 10.944 9.461 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.845 10.501 10.391 1.00 0.00 H new ATOM 398 N VAL A 25 -8.919 9.476 12.314 1.00 0.00 N ATOM 399 CA VAL A 25 -9.471 10.182 13.464 1.00 0.00 C ATOM 400 C VAL A 25 -8.606 11.394 13.808 1.00 0.00 C ATOM 401 O VAL A 25 -9.082 12.362 14.403 1.00 0.00 O ATOM 402 CB VAL A 25 -9.627 9.244 14.688 1.00 0.00 C ATOM 403 CG1 VAL A 25 -9.067 7.860 14.388 1.00 0.00 C ATOM 404 CG2 VAL A 25 -8.975 9.837 15.925 1.00 0.00 C ATOM 0 H VAL A 25 -8.562 8.544 12.525 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.468 10.532 13.197 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.693 9.141 14.893 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.189 7.221 15.263 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.603 7.426 13.544 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.008 7.941 14.142 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.102 9.155 16.766 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.912 9.989 15.739 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.443 10.793 16.160 1.00 0.00 H new ATOM 414 N CYS A 26 -7.347 11.352 13.384 1.00 0.00 N ATOM 415 CA CYS A 26 -6.428 12.462 13.608 1.00 0.00 C ATOM 416 C CYS A 26 -6.829 13.666 12.760 1.00 0.00 C ATOM 417 O CYS A 26 -6.493 14.806 13.083 1.00 0.00 O ATOM 418 CB CYS A 26 -4.995 12.042 13.276 1.00 0.00 C ATOM 419 SG CYS A 26 -3.769 13.349 13.508 1.00 0.00 S ATOM 0 H CYS A 26 -6.940 10.562 12.884 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.478 12.742 14.660 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.724 11.190 13.900 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.958 11.704 12.240 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.352 14.509 13.433 1.00 0.00 H new ATOM 425 N GLY A 27 -7.552 13.401 11.674 1.00 0.00 N ATOM 426 CA GLY A 27 -7.996 14.468 10.794 1.00 0.00 C ATOM 427 C GLY A 27 -7.610 14.230 9.345 1.00 0.00 C ATOM 428 O GLY A 27 -6.830 14.993 8.776 1.00 0.00 O ATOM 0 H GLY A 27 -7.838 12.465 11.388 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.079 14.566 10.866 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.568 15.412 11.130 1.00 0.00 H new ATOM 432 N ARG A 28 -8.175 13.183 8.745 1.00 0.00 N ATOM 433 CA ARG A 28 -7.886 12.840 7.354 1.00 0.00 C ATOM 434 C ARG A 28 -8.784 11.704 6.869 1.00 0.00 C ATOM 435 O ARG A 28 -9.724 11.306 7.556 1.00 0.00 O ATOM 436 CB ARG A 28 -6.421 12.430 7.205 1.00 0.00 C ATOM 437 CG ARG A 28 -5.551 13.511 6.590 1.00 0.00 C ATOM 438 CD ARG A 28 -4.175 13.563 7.238 1.00 0.00 C ATOM 439 NE ARG A 28 -3.747 12.255 7.729 1.00 0.00 N ATOM 440 CZ ARG A 28 -2.858 12.087 8.704 1.00 0.00 C ATOM 441 NH1 ARG A 28 -2.303 13.139 9.291 1.00 0.00 N ATOM 442 NH2 ARG A 28 -2.522 10.864 9.093 1.00 0.00 N ATOM 0 H ARG A 28 -8.837 12.556 9.202 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.082 13.722 6.745 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.023 12.168 8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.364 11.533 6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.443 13.327 5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.041 14.478 6.699 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.448 13.933 6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.191 14.272 8.065 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.153 11.424 7.300 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.558 14.081 8.995 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.622 13.006 10.038 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.945 10.052 8.644 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.840 10.736 9.841 1.00 0.00 H new ATOM 456 N THR A 29 -8.487 11.194 5.675 1.00 0.00 N ATOM 457 CA THR A 29 -9.252 10.095 5.094 1.00 0.00 C ATOM 458 C THR A 29 -8.339 9.162 4.303 1.00 0.00 C ATOM 459 O THR A 29 -7.520 9.614 3.503 1.00 0.00 O ATOM 460 CB THR A 29 -10.356 10.639 4.185 1.00 0.00 C ATOM 461 OG1 THR A 29 -11.260 11.445 4.922 1.00 0.00 O ATOM 462 CG2 THR A 29 -11.160 9.554 3.499 1.00 0.00 C ATOM 0 H THR A 29 -7.720 11.526 5.091 1.00 0.00 H new ATOM 0 HA THR A 29 -9.708 9.529 5.907 1.00 0.00 H new ATOM 0 HB THR A 29 -9.840 11.221 3.421 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.958 11.785 4.324 1.00 0.00 H new ATOM 0 HG21 THR A 29 -11.925 10.010 2.871 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.498 8.946 2.882 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.636 8.924 4.250 1.00 0.00 H new ATOM 470 N VAL A 30 -8.479 7.861 4.537 1.00 0.00 N ATOM 471 CA VAL A 30 -7.662 6.869 3.843 1.00 0.00 C ATOM 472 C VAL A 30 -8.432 6.225 2.696 1.00 0.00 C ATOM 473 O VAL A 30 -9.433 5.546 2.911 1.00 0.00 O ATOM 474 CB VAL A 30 -7.167 5.774 4.801 1.00 0.00 C ATOM 475 CG1 VAL A 30 -6.076 4.944 4.143 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.664 6.395 6.091 1.00 0.00 C ATOM 0 H VAL A 30 -9.148 7.469 5.200 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.799 7.399 3.441 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.001 5.113 5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.737 4.174 4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.470 4.474 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.238 5.589 3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.316 5.609 6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.841 7.075 5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.473 6.948 6.569 1.00 0.00 H new ATOM 486 N ASN A 31 -7.977 6.482 1.477 1.00 0.00 N ATOM 487 CA ASN A 31 -8.622 5.935 0.286 1.00 0.00 C ATOM 488 C ASN A 31 -7.913 4.675 -0.204 1.00 0.00 C ATOM 489 O ASN A 31 -6.749 4.725 -0.602 1.00 0.00 O ATOM 490 CB ASN A 31 -8.646 6.983 -0.828 1.00 0.00 C ATOM 491 CG ASN A 31 -9.832 6.813 -1.757 1.00 0.00 C ATOM 492 OD1 ASN A 31 -10.983 6.959 -1.345 1.00 0.00 O ATOM 493 ND2 ASN A 31 -9.557 6.506 -3.019 1.00 0.00 N ATOM 0 H ASN A 31 -7.163 7.066 1.285 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.644 5.666 0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.674 7.979 -0.386 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.724 6.917 -1.405 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.315 6.382 -3.690 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.588 6.394 -3.317 1.00 0.00 H new ATOM 500 N VAL A 32 -8.612 3.543 -0.171 1.00 0.00 N ATOM 501 CA VAL A 32 -8.037 2.291 -0.650 1.00 0.00 C ATOM 502 C VAL A 32 -7.788 2.354 -2.157 1.00 0.00 C ATOM 503 O VAL A 32 -7.910 3.417 -2.768 1.00 0.00 O ATOM 504 CB VAL A 32 -8.919 1.073 -0.296 1.00 0.00 C ATOM 505 CG1 VAL A 32 -9.494 1.228 1.104 1.00 0.00 C ATOM 506 CG2 VAL A 32 -10.031 0.865 -1.316 1.00 0.00 C ATOM 0 H VAL A 32 -9.567 3.468 0.179 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.083 2.159 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.287 0.186 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.113 0.363 1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.680 1.300 1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.101 2.132 1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.629 -0.001 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.666 1.750 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.595 0.697 -2.301 1.00 0.00 H new ATOM 516 N LYS A 33 -7.432 1.219 -2.749 1.00 0.00 N ATOM 517 CA LYS A 33 -7.164 1.157 -4.183 1.00 0.00 C ATOM 518 C LYS A 33 -8.372 1.628 -4.988 1.00 0.00 C ATOM 519 O LYS A 33 -9.414 1.967 -4.425 1.00 0.00 O ATOM 520 CB LYS A 33 -6.795 -0.271 -4.589 1.00 0.00 C ATOM 521 CG LYS A 33 -5.451 -0.377 -5.289 1.00 0.00 C ATOM 522 CD LYS A 33 -5.597 -0.281 -6.799 1.00 0.00 C ATOM 523 CE LYS A 33 -5.085 -1.536 -7.488 1.00 0.00 C ATOM 524 NZ LYS A 33 -6.071 -2.077 -8.463 1.00 0.00 N ATOM 0 H LYS A 33 -7.322 0.331 -2.260 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.327 1.821 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.782 -0.901 -3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.570 -0.664 -5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.793 0.416 -4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.978 -1.324 -5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.645 -0.125 -7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.047 0.586 -7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.151 -1.312 -8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.861 -2.296 -6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.574 -2.392 -9.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.573 -2.882 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.756 -1.335 -8.713 1.00 0.00 H new ATOM 538 N ASP A 34 -8.234 1.626 -6.310 1.00 0.00 N ATOM 539 CA ASP A 34 -9.318 2.046 -7.190 1.00 0.00 C ATOM 540 C ASP A 34 -10.198 0.855 -7.545 1.00 0.00 C ATOM 541 O ASP A 34 -11.425 0.956 -7.552 1.00 0.00 O ATOM 542 CB ASP A 34 -8.756 2.681 -8.464 1.00 0.00 C ATOM 543 CG ASP A 34 -8.997 4.177 -8.519 1.00 0.00 C ATOM 544 OD1 ASP A 34 -8.145 4.935 -8.011 1.00 0.00 O ATOM 545 OD2 ASP A 34 -10.039 4.590 -9.069 1.00 0.00 O ATOM 0 H ASP A 34 -7.384 1.339 -6.795 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.921 2.788 -6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.685 2.486 -8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.214 2.210 -9.334 1.00 0.00 H new ATOM 550 N ARG A 35 -9.561 -0.277 -7.818 1.00 0.00 N ATOM 551 CA ARG A 35 -10.282 -1.502 -8.128 1.00 0.00 C ATOM 552 C ARG A 35 -10.665 -2.224 -6.835 1.00 0.00 C ATOM 553 O ARG A 35 -11.491 -1.731 -6.066 1.00 0.00 O ATOM 554 CB ARG A 35 -9.430 -2.410 -9.020 1.00 0.00 C ATOM 555 CG ARG A 35 -9.497 -2.050 -10.495 1.00 0.00 C ATOM 556 CD ARG A 35 -9.205 -3.255 -11.376 1.00 0.00 C ATOM 557 NE ARG A 35 -7.778 -3.564 -11.429 1.00 0.00 N ATOM 558 CZ ARG A 35 -7.243 -4.438 -12.276 1.00 0.00 C ATOM 559 NH1 ARG A 35 -8.013 -5.088 -13.140 1.00 0.00 N ATOM 560 NH2 ARG A 35 -5.936 -4.663 -12.261 1.00 0.00 N ATOM 0 H ARG A 35 -8.545 -0.371 -7.831 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.193 -1.249 -8.669 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.393 -2.360 -8.689 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.757 -3.442 -8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.486 -1.657 -10.730 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.780 -1.258 -10.710 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.749 -4.120 -10.998 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.572 -3.064 -12.384 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.157 -3.082 -10.779 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.019 -4.918 -13.156 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.599 -5.758 -13.788 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.340 -4.165 -11.599 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.526 -5.334 -12.911 1.00 0.00 H new ATOM 574 N ARG A 36 -10.058 -3.383 -6.592 1.00 0.00 N ATOM 575 CA ARG A 36 -10.323 -4.140 -5.376 1.00 0.00 C ATOM 576 C ARG A 36 -9.613 -3.510 -4.178 1.00 0.00 C ATOM 577 O ARG A 36 -10.155 -2.626 -3.515 1.00 0.00 O ATOM 578 CB ARG A 36 -9.881 -5.595 -5.549 1.00 0.00 C ATOM 579 CG ARG A 36 -10.377 -6.235 -6.836 1.00 0.00 C ATOM 580 CD ARG A 36 -10.973 -7.611 -6.583 1.00 0.00 C ATOM 581 NE ARG A 36 -10.254 -8.338 -5.540 1.00 0.00 N ATOM 582 CZ ARG A 36 -9.095 -8.960 -5.736 1.00 0.00 C ATOM 583 NH1 ARG A 36 -8.525 -8.945 -6.934 1.00 0.00 N ATOM 584 NH2 ARG A 36 -8.506 -9.597 -4.734 1.00 0.00 N ATOM 0 H ARG A 36 -9.381 -3.816 -7.221 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.396 -4.118 -5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.792 -5.640 -5.527 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.241 -6.178 -4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.127 -5.592 -7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.551 -6.320 -7.543 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.019 -7.505 -6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.954 -8.189 -7.507 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.665 -8.371 -4.607 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.976 -8.456 -7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.636 -9.423 -7.082 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.942 -9.610 -3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.617 -10.074 -4.885 1.00 0.00 H new ATOM 598 N ILE A 37 -8.399 -3.982 -3.903 1.00 0.00 N ATOM 599 CA ILE A 37 -7.609 -3.482 -2.783 1.00 0.00 C ATOM 600 C ILE A 37 -6.120 -3.721 -3.027 1.00 0.00 C ATOM 601 O ILE A 37 -5.742 -4.654 -3.737 1.00 0.00 O ATOM 602 CB ILE A 37 -8.043 -4.159 -1.459 1.00 0.00 C ATOM 603 CG1 ILE A 37 -8.873 -3.186 -0.612 1.00 0.00 C ATOM 604 CG2 ILE A 37 -6.842 -4.677 -0.672 1.00 0.00 C ATOM 605 CD1 ILE A 37 -8.050 -2.162 0.141 1.00 0.00 C ATOM 0 H ILE A 37 -7.940 -4.714 -4.445 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.784 -2.409 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.662 -5.021 -1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.576 -2.664 -1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.464 -3.758 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.186 -5.145 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.303 -5.410 -1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.179 -3.846 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.712 -1.513 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.366 -2.672 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.479 -1.562 -0.567 1.00 0.00 H new ATOM 617 N PHE A 38 -5.282 -2.891 -2.418 1.00 0.00 N ATOM 618 CA PHE A 38 -3.839 -3.049 -2.537 1.00 0.00 C ATOM 619 C PHE A 38 -3.316 -3.918 -1.400 1.00 0.00 C ATOM 620 O PHE A 38 -3.881 -3.927 -0.310 1.00 0.00 O ATOM 621 CB PHE A 38 -3.145 -1.685 -2.520 1.00 0.00 C ATOM 622 CG PHE A 38 -1.951 -1.606 -3.429 1.00 0.00 C ATOM 623 CD1 PHE A 38 -0.718 -2.088 -3.018 1.00 0.00 C ATOM 624 CD2 PHE A 38 -2.062 -1.052 -4.694 1.00 0.00 C ATOM 625 CE1 PHE A 38 0.381 -2.017 -3.852 1.00 0.00 C ATOM 626 CE2 PHE A 38 -0.966 -0.979 -5.533 1.00 0.00 C ATOM 627 CZ PHE A 38 0.258 -1.462 -5.111 1.00 0.00 C ATOM 0 H PHE A 38 -5.576 -2.105 -1.839 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.619 -3.535 -3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.863 -0.918 -2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.831 -1.459 -1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.615 -2.524 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.016 -0.673 -5.029 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.336 -2.395 -3.520 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.066 -0.545 -6.517 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.116 -1.406 -5.764 1.00 0.00 H new ATOM 637 N GLY A 39 -2.259 -4.673 -1.670 1.00 0.00 N ATOM 638 CA GLY A 39 -1.688 -5.545 -0.659 1.00 0.00 C ATOM 639 C GLY A 39 -2.732 -6.407 0.028 1.00 0.00 C ATOM 640 O GLY A 39 -3.308 -6.007 1.039 1.00 0.00 O ATOM 0 H GLY A 39 -1.785 -4.698 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.939 -6.188 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.173 -4.941 0.088 1.00 0.00 H new ATOM 644 N ARG A 40 -2.986 -7.586 -0.527 1.00 0.00 N ATOM 645 CA ARG A 40 -3.955 -8.505 0.057 1.00 0.00 C ATOM 646 C ARG A 40 -3.259 -9.466 1.010 1.00 0.00 C ATOM 647 O ARG A 40 -2.811 -10.542 0.612 1.00 0.00 O ATOM 648 CB ARG A 40 -4.684 -9.286 -1.037 1.00 0.00 C ATOM 649 CG ARG A 40 -6.116 -9.648 -0.676 1.00 0.00 C ATOM 650 CD ARG A 40 -6.177 -10.933 0.133 1.00 0.00 C ATOM 651 NE ARG A 40 -7.453 -11.624 -0.031 1.00 0.00 N ATOM 652 CZ ARG A 40 -7.758 -12.369 -1.089 1.00 0.00 C ATOM 653 NH1 ARG A 40 -6.884 -12.519 -2.075 1.00 0.00 N ATOM 654 NH2 ARG A 40 -8.941 -12.966 -1.164 1.00 0.00 N ATOM 0 H ARG A 40 -2.537 -7.927 -1.377 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.689 -7.923 0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.687 -8.695 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.130 -10.200 -1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.565 -8.835 -0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.705 -9.761 -1.586 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.366 -11.593 -0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.021 -10.705 1.187 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.150 -11.530 0.708 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.974 -12.062 -2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.122 -13.092 -2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.618 -12.854 -0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.173 -13.537 -1.976 1.00 0.00 H new ATOM 668 N ALA A 41 -3.153 -9.058 2.267 1.00 0.00 N ATOM 669 CA ALA A 41 -2.483 -9.863 3.277 1.00 0.00 C ATOM 670 C ALA A 41 -3.468 -10.754 4.020 1.00 0.00 C ATOM 671 O ALA A 41 -4.382 -10.267 4.683 1.00 0.00 O ATOM 672 CB ALA A 41 -1.744 -8.961 4.254 1.00 0.00 C ATOM 0 H ALA A 41 -3.523 -8.172 2.612 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.765 -10.510 2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.245 -9.571 5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.002 -8.371 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.454 -8.293 4.741 1.00 0.00 H new ATOM 678 N ASP A 42 -3.271 -12.063 3.914 1.00 0.00 N ATOM 679 CA ASP A 42 -4.135 -13.018 4.594 1.00 0.00 C ATOM 680 C ASP A 42 -3.712 -13.177 6.049 1.00 0.00 C ATOM 681 O ASP A 42 -4.549 -13.351 6.935 1.00 0.00 O ATOM 682 CB ASP A 42 -4.092 -14.375 3.885 1.00 0.00 C ATOM 683 CG ASP A 42 -3.002 -14.452 2.834 1.00 0.00 C ATOM 684 OD1 ASP A 42 -3.274 -14.091 1.669 1.00 0.00 O ATOM 685 OD2 ASP A 42 -1.876 -14.873 3.176 1.00 0.00 O ATOM 0 H ASP A 42 -2.522 -12.486 3.365 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.156 -12.638 4.565 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.935 -15.161 4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.057 -14.566 3.416 1.00 0.00 H new ATOM 690 N ASP A 43 -2.403 -13.135 6.282 1.00 0.00 N ATOM 691 CA ASP A 43 -1.860 -13.252 7.629 1.00 0.00 C ATOM 692 C ASP A 43 -1.802 -11.889 8.309 1.00 0.00 C ATOM 693 O ASP A 43 -1.337 -10.913 7.717 1.00 0.00 O ATOM 694 CB ASP A 43 -0.462 -13.874 7.588 1.00 0.00 C ATOM 695 CG ASP A 43 -0.119 -14.610 8.868 1.00 0.00 C ATOM 696 OD1 ASP A 43 -0.479 -15.799 8.984 1.00 0.00 O ATOM 697 OD2 ASP A 43 0.511 -13.995 9.755 1.00 0.00 O ATOM 0 H ASP A 43 -1.699 -13.021 5.553 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.520 -13.900 8.205 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.399 -14.565 6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.276 -13.091 7.413 1.00 0.00 H new ATOM 702 N PHE A 44 -2.276 -11.825 9.550 1.00 0.00 N ATOM 703 CA PHE A 44 -2.263 -10.577 10.305 1.00 0.00 C ATOM 704 C PHE A 44 -0.850 -10.006 10.372 1.00 0.00 C ATOM 705 O PHE A 44 -0.651 -8.796 10.264 1.00 0.00 O ATOM 706 CB PHE A 44 -2.815 -10.796 11.717 1.00 0.00 C ATOM 707 CG PHE A 44 -2.001 -11.746 12.550 1.00 0.00 C ATOM 708 CD1 PHE A 44 -2.185 -13.115 12.443 1.00 0.00 C ATOM 709 CD2 PHE A 44 -1.059 -11.268 13.446 1.00 0.00 C ATOM 710 CE1 PHE A 44 -1.439 -13.990 13.210 1.00 0.00 C ATOM 711 CE2 PHE A 44 -0.309 -12.137 14.216 1.00 0.00 C ATOM 712 CZ PHE A 44 -0.500 -13.500 14.098 1.00 0.00 C ATOM 0 H PHE A 44 -2.672 -12.620 10.052 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.903 -9.860 9.790 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.869 -9.835 12.228 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.834 -11.175 11.643 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.919 -13.503 11.753 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.909 -10.203 13.544 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.590 -15.055 13.116 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.425 -11.751 14.908 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.084 -14.182 14.699 1.00 0.00 H new ATOM 722 N GLU A 45 0.129 -10.891 10.545 1.00 0.00 N ATOM 723 CA GLU A 45 1.526 -10.487 10.605 1.00 0.00 C ATOM 724 C GLU A 45 1.999 -9.985 9.244 1.00 0.00 C ATOM 725 O GLU A 45 2.808 -9.060 9.158 1.00 0.00 O ATOM 726 CB GLU A 45 2.390 -11.666 11.068 1.00 0.00 C ATOM 727 CG GLU A 45 3.857 -11.540 10.694 1.00 0.00 C ATOM 728 CD GLU A 45 4.575 -10.471 11.494 1.00 0.00 C ATOM 729 OE1 GLU A 45 4.689 -10.628 12.727 1.00 0.00 O ATOM 730 OE2 GLU A 45 5.023 -9.476 10.887 1.00 0.00 O ATOM 0 H GLU A 45 -0.023 -11.895 10.646 1.00 0.00 H new ATOM 0 HA GLU A 45 1.624 -9.672 11.322 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.308 -11.760 12.151 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.993 -12.585 10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.351 -12.499 10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.938 -11.309 9.632 1.00 0.00 H new ATOM 737 N GLU A 46 1.487 -10.602 8.184 1.00 0.00 N ATOM 738 CA GLU A 46 1.857 -10.225 6.826 1.00 0.00 C ATOM 739 C GLU A 46 1.328 -8.837 6.482 1.00 0.00 C ATOM 740 O GLU A 46 1.899 -8.137 5.647 1.00 0.00 O ATOM 741 CB GLU A 46 1.319 -11.250 5.825 1.00 0.00 C ATOM 742 CG GLU A 46 1.880 -11.085 4.422 1.00 0.00 C ATOM 743 CD GLU A 46 2.443 -12.376 3.864 1.00 0.00 C ATOM 744 OE1 GLU A 46 1.764 -13.418 3.977 1.00 0.00 O ATOM 745 OE2 GLU A 46 3.564 -12.347 3.312 1.00 0.00 O ATOM 0 H GLU A 46 0.814 -11.366 8.240 1.00 0.00 H new ATOM 0 HA GLU A 46 2.945 -10.204 6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.551 -12.252 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.233 -11.170 5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.094 -10.720 3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.663 -10.327 4.435 1.00 0.00 H new ATOM 752 N ALA A 47 0.231 -8.451 7.126 1.00 0.00 N ATOM 753 CA ALA A 47 -0.372 -7.143 6.894 1.00 0.00 C ATOM 754 C ALA A 47 0.613 -6.021 7.203 1.00 0.00 C ATOM 755 O ALA A 47 0.862 -5.153 6.366 1.00 0.00 O ATOM 756 CB ALA A 47 -1.632 -6.987 7.731 1.00 0.00 C ATOM 0 H ALA A 47 -0.258 -9.025 7.812 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.639 -7.076 5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.071 -6.006 7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.348 -7.762 7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.381 -7.080 8.788 1.00 0.00 H new ATOM 762 N SER A 48 1.168 -6.046 8.411 1.00 0.00 N ATOM 763 CA SER A 48 2.118 -5.027 8.843 1.00 0.00 C ATOM 764 C SER A 48 3.334 -4.978 7.921 1.00 0.00 C ATOM 765 O SER A 48 3.864 -3.905 7.635 1.00 0.00 O ATOM 766 CB SER A 48 2.568 -5.303 10.279 1.00 0.00 C ATOM 767 OG SER A 48 2.962 -4.107 10.929 1.00 0.00 O ATOM 0 H SER A 48 0.975 -6.763 9.110 1.00 0.00 H new ATOM 0 HA SER A 48 1.617 -4.060 8.799 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.755 -5.772 10.834 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.399 -6.008 10.274 1.00 0.00 H new ATOM 0 HG SER A 48 3.243 -4.310 11.845 1.00 0.00 H new ATOM 773 N GLU A 49 3.773 -6.146 7.464 1.00 0.00 N ATOM 774 CA GLU A 49 4.932 -6.236 6.583 1.00 0.00 C ATOM 775 C GLU A 49 4.618 -5.678 5.197 1.00 0.00 C ATOM 776 O GLU A 49 5.473 -5.071 4.555 1.00 0.00 O ATOM 777 CB GLU A 49 5.396 -7.689 6.468 1.00 0.00 C ATOM 778 CG GLU A 49 6.812 -7.916 6.973 1.00 0.00 C ATOM 779 CD GLU A 49 7.824 -8.001 5.848 1.00 0.00 C ATOM 780 OE1 GLU A 49 7.593 -8.779 4.898 1.00 0.00 O ATOM 781 OE2 GLU A 49 8.847 -7.289 5.915 1.00 0.00 O ATOM 0 H GLU A 49 3.344 -7.044 7.689 1.00 0.00 H new ATOM 0 HA GLU A 49 5.732 -5.636 7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.712 -8.326 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.337 -7.999 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.089 -7.104 7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.843 -8.837 7.555 1.00 0.00 H new ATOM 788 N LEU A 50 3.388 -5.895 4.739 1.00 0.00 N ATOM 789 CA LEU A 50 2.964 -5.416 3.429 1.00 0.00 C ATOM 790 C LEU A 50 2.879 -3.894 3.406 1.00 0.00 C ATOM 791 O LEU A 50 3.331 -3.251 2.459 1.00 0.00 O ATOM 792 CB LEU A 50 1.610 -6.023 3.055 1.00 0.00 C ATOM 793 CG LEU A 50 1.645 -7.017 1.891 1.00 0.00 C ATOM 794 CD1 LEU A 50 2.493 -8.229 2.248 1.00 0.00 C ATOM 795 CD2 LEU A 50 0.235 -7.445 1.514 1.00 0.00 C ATOM 0 H LEU A 50 2.668 -6.400 5.257 1.00 0.00 H new ATOM 0 HA LEU A 50 3.708 -5.729 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.200 -6.527 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.924 -5.215 2.802 1.00 0.00 H new ATOM 0 HG LEU A 50 2.097 -6.523 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.506 -8.924 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.511 -7.908 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.070 -8.724 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.279 -8.151 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.242 -7.920 2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.343 -6.571 1.215 1.00 0.00 H new ATOM 807 N VAL A 51 2.323 -3.324 4.470 1.00 0.00 N ATOM 808 CA VAL A 51 2.185 -1.877 4.580 1.00 0.00 C ATOM 809 C VAL A 51 3.550 -1.199 4.601 1.00 0.00 C ATOM 810 O VAL A 51 3.721 -0.114 4.044 1.00 0.00 O ATOM 811 CB VAL A 51 1.415 -1.485 5.856 1.00 0.00 C ATOM 812 CG1 VAL A 51 1.277 0.026 5.958 1.00 0.00 C ATOM 813 CG2 VAL A 51 0.051 -2.155 5.886 1.00 0.00 C ATOM 0 H VAL A 51 1.960 -3.843 5.269 1.00 0.00 H new ATOM 0 HA VAL A 51 1.626 -1.542 3.706 1.00 0.00 H new ATOM 0 HB VAL A 51 1.984 -1.832 6.719 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.730 0.281 6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.267 0.480 5.991 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.734 0.401 5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.477 -1.865 6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.527 -1.843 5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.177 -3.238 5.869 1.00 0.00 H new ATOM 823 N ARG A 52 4.520 -1.848 5.238 1.00 0.00 N ATOM 824 CA ARG A 52 5.872 -1.307 5.314 1.00 0.00 C ATOM 825 C ARG A 52 6.464 -1.185 3.918 1.00 0.00 C ATOM 826 O ARG A 52 7.112 -0.190 3.592 1.00 0.00 O ATOM 827 CB ARG A 52 6.756 -2.199 6.187 1.00 0.00 C ATOM 828 CG ARG A 52 6.516 -2.020 7.678 1.00 0.00 C ATOM 829 CD ARG A 52 7.539 -1.082 8.298 1.00 0.00 C ATOM 830 NE ARG A 52 8.908 -1.492 7.998 1.00 0.00 N ATOM 831 CZ ARG A 52 9.949 -0.666 8.027 1.00 0.00 C ATOM 832 NH1 ARG A 52 9.779 0.612 8.343 1.00 0.00 N ATOM 833 NH2 ARG A 52 11.162 -1.117 7.741 1.00 0.00 N ATOM 0 H ARG A 52 4.396 -2.745 5.707 1.00 0.00 H new ATOM 0 HA ARG A 52 5.827 -0.316 5.766 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.581 -3.242 5.922 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.802 -1.986 5.968 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.513 -1.626 7.841 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.562 -2.990 8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.374 -0.070 7.928 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.397 -1.054 9.378 1.00 0.00 H new ATOM 0 HE ARG A 52 9.075 -2.468 7.752 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.847 0.963 8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.580 1.243 8.364 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.297 -2.098 7.498 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.960 -0.483 7.763 1.00 0.00 H new ATOM 847 N LYS A 53 6.221 -2.193 3.089 1.00 0.00 N ATOM 848 CA LYS A 53 6.675 -2.165 1.708 1.00 0.00 C ATOM 849 C LYS A 53 5.900 -1.104 0.937 1.00 0.00 C ATOM 850 O LYS A 53 6.442 -0.435 0.057 1.00 0.00 O ATOM 851 CB LYS A 53 6.492 -3.535 1.052 1.00 0.00 C ATOM 852 CG LYS A 53 7.744 -4.051 0.362 1.00 0.00 C ATOM 853 CD LYS A 53 7.702 -5.561 0.185 1.00 0.00 C ATOM 854 CE LYS A 53 8.766 -6.250 1.022 1.00 0.00 C ATOM 855 NZ LYS A 53 8.687 -7.733 0.907 1.00 0.00 N ATOM 0 H LYS A 53 5.713 -3.038 3.350 1.00 0.00 H new ATOM 0 HA LYS A 53 7.737 -1.919 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.183 -4.254 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.684 -3.474 0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.847 -3.572 -0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.622 -3.777 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.718 -5.934 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.848 -5.809 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.753 -5.913 0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.651 -5.960 2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.429 -8.167 1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.754 -8.057 1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.822 -8.012 -0.086 1.00 0.00 H new ATOM 869 N LEU A 54 4.624 -0.956 1.287 1.00 0.00 N ATOM 870 CA LEU A 54 3.762 0.038 0.661 1.00 0.00 C ATOM 871 C LEU A 54 4.213 1.450 1.024 1.00 0.00 C ATOM 872 O LEU A 54 3.834 2.422 0.370 1.00 0.00 O ATOM 873 CB LEU A 54 2.310 -0.171 1.101 1.00 0.00 C ATOM 874 CG LEU A 54 1.355 -0.653 0.004 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.176 0.418 -1.060 1.00 0.00 C ATOM 876 CD2 LEU A 54 1.859 -1.949 -0.616 1.00 0.00 C ATOM 0 H LEU A 54 4.164 -1.516 2.005 1.00 0.00 H new ATOM 0 HA LEU A 54 3.831 -0.083 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.295 -0.895 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.931 0.769 1.503 1.00 0.00 H new ATOM 0 HG LEU A 54 0.384 -0.848 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.494 0.056 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.764 1.318 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.142 0.649 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.167 -2.274 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.844 -1.784 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.928 -2.718 0.154 1.00 0.00 H new ATOM 888 N GLN A 55 5.018 1.552 2.078 1.00 0.00 N ATOM 889 CA GLN A 55 5.516 2.843 2.540 1.00 0.00 C ATOM 890 C GLN A 55 6.471 3.457 1.522 1.00 0.00 C ATOM 891 O GLN A 55 6.544 3.010 0.376 1.00 0.00 O ATOM 892 CB GLN A 55 6.222 2.688 3.889 1.00 0.00 C ATOM 893 CG GLN A 55 5.268 2.556 5.064 1.00 0.00 C ATOM 894 CD GLN A 55 5.993 2.474 6.394 1.00 0.00 C ATOM 895 OE1 GLN A 55 6.924 1.534 6.503 1.00 0.00 O flip ATOM 896 NE2 GLN A 55 5.719 3.249 7.311 1.00 0.00 N flip ATOM 0 H GLN A 55 5.339 0.755 2.628 1.00 0.00 H new ATOM 0 HA GLN A 55 4.662 3.511 2.658 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.865 1.809 3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.869 3.550 4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.590 3.410 5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.655 1.664 4.932 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.995 3.956 7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.216 3.184 8.200 1.00 0.00 H new ATOM 905 N GLU A 56 7.203 4.483 1.946 1.00 0.00 N ATOM 906 CA GLU A 56 8.154 5.155 1.069 1.00 0.00 C ATOM 907 C GLU A 56 9.418 4.319 0.896 1.00 0.00 C ATOM 908 O GLU A 56 10.455 4.608 1.494 1.00 0.00 O ATOM 909 CB GLU A 56 8.510 6.533 1.631 1.00 0.00 C ATOM 910 CG GLU A 56 8.432 7.649 0.601 1.00 0.00 C ATOM 911 CD GLU A 56 7.599 8.823 1.075 1.00 0.00 C ATOM 912 OE1 GLU A 56 7.880 9.344 2.175 1.00 0.00 O ATOM 913 OE2 GLU A 56 6.667 9.222 0.347 1.00 0.00 O ATOM 0 H GLU A 56 7.155 4.866 2.890 1.00 0.00 H new ATOM 0 HA GLU A 56 7.687 5.279 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.837 6.764 2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.519 6.499 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.439 7.994 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.007 7.257 -0.323 1.00 0.00 H new ATOM 920 N GLU A 57 9.322 3.277 0.075 1.00 0.00 N ATOM 921 CA GLU A 57 10.456 2.396 -0.180 1.00 0.00 C ATOM 922 C GLU A 57 11.447 3.048 -1.139 1.00 0.00 C ATOM 923 O GLU A 57 11.124 4.029 -1.807 1.00 0.00 O ATOM 924 CB GLU A 57 9.969 1.061 -0.753 1.00 0.00 C ATOM 925 CG GLU A 57 9.537 1.140 -2.209 1.00 0.00 C ATOM 926 CD GLU A 57 8.095 1.582 -2.367 1.00 0.00 C ATOM 927 OE1 GLU A 57 7.845 2.805 -2.364 1.00 0.00 O ATOM 928 OE2 GLU A 57 7.216 0.703 -2.498 1.00 0.00 O ATOM 0 H GLU A 57 8.470 3.023 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 57 10.965 2.213 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.766 0.324 -0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.132 0.703 -0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.187 1.836 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.667 0.164 -2.676 1.00 0.00 H new ATOM 935 N LYS A 58 12.652 2.490 -1.206 1.00 0.00 N ATOM 936 CA LYS A 58 13.690 3.016 -2.083 1.00 0.00 C ATOM 937 C LYS A 58 13.466 2.564 -3.523 1.00 0.00 C ATOM 938 O LYS A 58 12.395 2.065 -3.866 1.00 0.00 O ATOM 939 CB LYS A 58 15.071 2.565 -1.601 1.00 0.00 C ATOM 940 CG LYS A 58 16.145 3.630 -1.751 1.00 0.00 C ATOM 941 CD LYS A 58 17.192 3.525 -0.653 1.00 0.00 C ATOM 942 CE LYS A 58 18.081 4.757 -0.610 1.00 0.00 C ATOM 943 NZ LYS A 58 18.593 5.121 -1.961 1.00 0.00 N ATOM 0 H LYS A 58 12.933 1.674 -0.663 1.00 0.00 H new ATOM 0 HA LYS A 58 13.641 4.104 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.004 2.274 -0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.370 1.678 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.626 3.529 -2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.685 4.618 -1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.699 3.398 0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.805 2.639 -0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.520 5.595 -0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.922 4.575 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.347 5.831 -1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.972 4.273 -2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.818 5.514 -2.532 1.00 0.00 H new ATOM 957 N TYR A 59 14.483 2.742 -4.360 1.00 0.00 N ATOM 958 CA TYR A 59 14.395 2.353 -5.763 1.00 0.00 C ATOM 959 C TYR A 59 14.845 0.909 -5.959 1.00 0.00 C ATOM 960 O TYR A 59 14.542 0.287 -6.978 1.00 0.00 O ATOM 961 CB TYR A 59 15.243 3.287 -6.628 1.00 0.00 C ATOM 962 CG TYR A 59 14.581 4.615 -6.918 1.00 0.00 C ATOM 963 CD1 TYR A 59 14.417 5.565 -5.917 1.00 0.00 C ATOM 964 CD2 TYR A 59 14.122 4.919 -8.193 1.00 0.00 C ATOM 965 CE1 TYR A 59 13.811 6.780 -6.180 1.00 0.00 C ATOM 966 CE2 TYR A 59 13.516 6.133 -8.463 1.00 0.00 C ATOM 967 CZ TYR A 59 13.363 7.059 -7.453 1.00 0.00 C ATOM 968 OH TYR A 59 12.761 8.267 -7.718 1.00 0.00 O ATOM 0 H TYR A 59 15.377 3.153 -4.091 1.00 0.00 H new ATOM 0 HA TYR A 59 13.352 2.433 -6.070 1.00 0.00 H new ATOM 0 HB2 TYR A 59 16.195 3.467 -6.128 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.468 2.790 -7.571 1.00 0.00 H new ATOM 0 HD1 TYR A 59 14.768 5.351 -4.918 1.00 0.00 H new ATOM 0 HD2 TYR A 59 14.240 4.196 -8.987 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.689 7.507 -5.391 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.165 6.354 -9.460 1.00 0.00 H new ATOM 0 HH TYR A 59 12.505 8.304 -8.663 1.00 0.00 H new ATOM 978 N GLY A 60 15.570 0.381 -4.976 1.00 0.00 N ATOM 979 CA GLY A 60 16.049 -0.986 -5.060 1.00 0.00 C ATOM 980 C GLY A 60 17.327 -1.204 -4.273 1.00 0.00 C ATOM 981 O GLY A 60 18.337 -1.640 -4.824 1.00 0.00 O ATOM 0 H GLY A 60 15.834 0.876 -4.124 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.278 -1.661 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.221 -1.243 -6.105 1.00 0.00 H new ATOM 985 N SER A 61 17.282 -0.901 -2.978 1.00 0.00 N ATOM 986 CA SER A 61 18.444 -1.069 -2.113 1.00 0.00 C ATOM 987 C SER A 61 18.478 -2.470 -1.510 1.00 0.00 C ATOM 988 O SER A 61 17.978 -2.695 -0.407 1.00 0.00 O ATOM 989 CB SER A 61 18.431 -0.021 -0.997 1.00 0.00 C ATOM 990 OG SER A 61 19.745 0.276 -0.560 1.00 0.00 O ATOM 0 H SER A 61 16.454 -0.538 -2.506 1.00 0.00 H new ATOM 0 HA SER A 61 19.339 -0.933 -2.720 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.949 0.889 -1.354 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.839 -0.387 -0.158 1.00 0.00 H new ATOM 0 HG SER A 61 19.709 0.949 0.152 1.00 0.00 H new ATOM 996 N CYS A 62 19.069 -3.409 -2.241 1.00 0.00 N ATOM 997 CA CYS A 62 19.167 -4.789 -1.780 1.00 0.00 C ATOM 998 C CYS A 62 20.550 -5.072 -1.200 1.00 0.00 C ATOM 999 O CYS A 62 21.562 -4.614 -1.731 1.00 0.00 O ATOM 1000 CB CYS A 62 18.878 -5.754 -2.932 1.00 0.00 C ATOM 1001 SG CYS A 62 19.337 -7.469 -2.593 1.00 0.00 S ATOM 0 H CYS A 62 19.488 -3.239 -3.156 1.00 0.00 H new ATOM 0 HA CYS A 62 18.426 -4.938 -0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 62 17.814 -5.714 -3.167 1.00 0.00 H new ATOM 0 HB3 CYS A 62 19.413 -5.415 -3.819 1.00 0.00 H new ATOM 0 HG CYS A 62 19.052 -8.207 -3.625 1.00 0.00 H new ATOM 1007 N HIS A 63 20.584 -5.830 -0.108 1.00 0.00 N ATOM 1008 CA HIS A 63 21.842 -6.176 0.544 1.00 0.00 C ATOM 1009 C HIS A 63 22.292 -7.579 0.151 1.00 0.00 C ATOM 1010 O HIS A 63 21.558 -8.550 0.337 1.00 0.00 O ATOM 1011 CB HIS A 63 21.694 -6.085 2.065 1.00 0.00 C ATOM 1012 CG HIS A 63 22.117 -4.766 2.633 1.00 0.00 C ATOM 1013 ND1 HIS A 63 21.779 -3.582 2.022 1.00 0.00 N ATOM 1014 CD2 HIS A 63 22.841 -4.500 3.748 1.00 0.00 C ATOM 1015 CE1 HIS A 63 22.300 -2.627 2.771 1.00 0.00 C ATOM 1016 NE2 HIS A 63 22.952 -3.136 3.827 1.00 0.00 N ATOM 0 H HIS A 63 19.755 -6.216 0.344 1.00 0.00 H new ATOM 0 HA HIS A 63 22.600 -5.465 0.215 1.00 0.00 H new ATOM 0 HB2 HIS A 63 20.653 -6.268 2.331 1.00 0.00 H new ATOM 0 HB3 HIS A 63 22.285 -6.876 2.527 1.00 0.00 H new ATOM 0 HD2 HIS A 63 23.250 -5.222 4.439 1.00 0.00 H new ATOM 0 HE1 HIS A 63 22.212 -1.571 2.560 1.00 0.00 H new ATOM 0 HE2 HIS A 63 23.438 -2.608 4.552 1.00 0.00 H new ATOM 1024 N PHE A 64 23.501 -7.679 -0.392 1.00 0.00 N ATOM 1025 CA PHE A 64 24.049 -8.965 -0.807 1.00 0.00 C ATOM 1026 C PHE A 64 24.413 -9.816 0.404 1.00 0.00 C ATOM 1027 O PHE A 64 25.549 -9.786 0.879 1.00 0.00 O ATOM 1028 CB PHE A 64 25.282 -8.759 -1.689 1.00 0.00 C ATOM 1029 CG PHE A 64 25.071 -7.767 -2.798 1.00 0.00 C ATOM 1030 CD1 PHE A 64 24.462 -8.151 -3.981 1.00 0.00 C ATOM 1031 CD2 PHE A 64 25.484 -6.452 -2.656 1.00 0.00 C ATOM 1032 CE1 PHE A 64 24.267 -7.242 -5.003 1.00 0.00 C ATOM 1033 CE2 PHE A 64 25.292 -5.538 -3.676 1.00 0.00 C ATOM 1034 CZ PHE A 64 24.682 -5.933 -4.851 1.00 0.00 C ATOM 0 H PHE A 64 24.120 -6.885 -0.555 1.00 0.00 H new ATOM 0 HA PHE A 64 23.285 -9.489 -1.381 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.112 -8.424 -1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 64 25.574 -9.717 -2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 64 24.136 -9.173 -4.106 1.00 0.00 H new ATOM 0 HD2 PHE A 64 25.961 -6.138 -1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 64 23.790 -7.555 -5.920 1.00 0.00 H new ATOM 0 HE2 PHE A 64 25.619 -4.516 -3.554 1.00 0.00 H new ATOM 0 HZ PHE A 64 24.530 -5.221 -5.648 1.00 0.00 H new ATOM 1044 N THR A 65 23.440 -10.571 0.905 1.00 0.00 N ATOM 1045 CA THR A 65 23.656 -11.425 2.068 1.00 0.00 C ATOM 1046 C THR A 65 23.961 -12.858 1.645 1.00 0.00 C ATOM 1047 O THR A 65 23.556 -13.812 2.311 1.00 0.00 O ATOM 1048 CB THR A 65 22.426 -11.397 2.979 1.00 0.00 C ATOM 1049 OG1 THR A 65 21.781 -10.139 2.909 1.00 0.00 O ATOM 1050 CG2 THR A 65 22.751 -11.668 4.432 1.00 0.00 C ATOM 0 H THR A 65 22.495 -10.609 0.524 1.00 0.00 H new ATOM 0 HA THR A 65 24.516 -11.040 2.617 1.00 0.00 H new ATOM 0 HB THR A 65 21.778 -12.194 2.615 1.00 0.00 H new ATOM 0 HG1 THR A 65 20.996 -10.141 3.496 1.00 0.00 H new ATOM 0 HG21 THR A 65 21.835 -11.633 5.022 1.00 0.00 H new ATOM 0 HG22 THR A 65 23.206 -12.654 4.525 1.00 0.00 H new ATOM 0 HG23 THR A 65 23.446 -10.912 4.796 1.00 0.00 H new ATOM 1058 N ASN A 66 24.680 -13.003 0.537 1.00 0.00 N ATOM 1059 CA ASN A 66 25.048 -14.320 0.034 1.00 0.00 C ATOM 1060 C ASN A 66 26.009 -15.016 0.996 1.00 0.00 C ATOM 1061 O ASN A 66 26.832 -14.364 1.638 1.00 0.00 O ATOM 1062 CB ASN A 66 25.688 -14.201 -1.350 1.00 0.00 C ATOM 1063 CG ASN A 66 24.820 -14.792 -2.443 1.00 0.00 C ATOM 1064 OD1 ASN A 66 23.633 -14.483 -2.545 1.00 0.00 O ATOM 1065 ND2 ASN A 66 25.410 -15.650 -3.269 1.00 0.00 N ATOM 0 H ASN A 66 25.019 -12.225 -0.029 1.00 0.00 H new ATOM 0 HA ASN A 66 24.141 -14.920 -0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 66 25.878 -13.150 -1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.654 -14.706 -1.345 1.00 0.00 H new ATOM 0 HD21 ASN A 66 24.876 -16.081 -4.024 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.397 -15.878 -3.148 1.00 0.00 H new ATOM 1072 N PRO A 67 25.914 -16.353 1.115 1.00 0.00 N ATOM 1073 CA PRO A 67 26.779 -17.128 2.014 1.00 0.00 C ATOM 1074 C PRO A 67 28.262 -16.887 1.745 1.00 0.00 C ATOM 1075 O PRO A 67 29.057 -16.758 2.675 1.00 0.00 O ATOM 1076 CB PRO A 67 26.410 -18.581 1.705 1.00 0.00 C ATOM 1077 CG PRO A 67 25.032 -18.512 1.143 1.00 0.00 C ATOM 1078 CD PRO A 67 24.958 -17.212 0.393 1.00 0.00 C ATOM 0 HA PRO A 67 26.630 -16.850 3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 67 27.106 -19.023 0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 67 26.440 -19.197 2.604 1.00 0.00 H new ATOM 0 HG2 PRO A 67 24.837 -19.356 0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 67 24.285 -18.549 1.936 1.00 0.00 H new ATOM 0 HD2 PRO A 67 25.237 -17.334 -0.654 1.00 0.00 H new ATOM 0 HD3 PRO A 67 23.951 -16.795 0.408 1.00 0.00 H new ATOM 1086 N SER A 68 28.625 -16.835 0.467 1.00 0.00 N ATOM 1087 CA SER A 68 30.013 -16.616 0.076 1.00 0.00 C ATOM 1088 C SER A 68 30.361 -15.131 0.090 1.00 0.00 C ATOM 1089 O SER A 68 31.533 -14.759 0.155 1.00 0.00 O ATOM 1090 CB SER A 68 30.268 -17.197 -1.317 1.00 0.00 C ATOM 1091 OG SER A 68 29.117 -17.088 -2.135 1.00 0.00 O ATOM 0 H SER A 68 27.978 -16.941 -0.314 1.00 0.00 H new ATOM 0 HA SER A 68 30.650 -17.124 0.800 1.00 0.00 H new ATOM 0 HB2 SER A 68 31.101 -16.673 -1.785 1.00 0.00 H new ATOM 0 HB3 SER A 68 30.558 -18.244 -1.230 1.00 0.00 H new ATOM 0 HG SER A 68 29.307 -17.465 -3.019 1.00 0.00 H new ATOM 1097 N LYS A 69 29.337 -14.285 0.025 1.00 0.00 N ATOM 1098 CA LYS A 69 29.539 -12.840 0.025 1.00 0.00 C ATOM 1099 C LYS A 69 29.557 -12.288 1.447 1.00 0.00 C ATOM 1100 O LYS A 69 28.597 -12.452 2.200 1.00 0.00 O ATOM 1101 CB LYS A 69 28.439 -12.149 -0.785 1.00 0.00 C ATOM 1102 CG LYS A 69 28.668 -12.197 -2.287 1.00 0.00 C ATOM 1103 CD LYS A 69 29.495 -11.014 -2.762 1.00 0.00 C ATOM 1104 CE LYS A 69 29.897 -11.164 -4.220 1.00 0.00 C ATOM 1105 NZ LYS A 69 29.078 -10.301 -5.115 1.00 0.00 N ATOM 0 H LYS A 69 28.360 -14.575 -0.028 1.00 0.00 H new ATOM 0 HA LYS A 69 30.506 -12.637 -0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 69 27.482 -12.618 -0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 69 28.367 -11.108 -0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 69 29.175 -13.126 -2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 69 27.708 -12.201 -2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 69 28.924 -10.095 -2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 69 30.389 -10.922 -2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 69 30.950 -10.908 -4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 69 29.788 -12.206 -4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 29.384 -10.433 -6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 28.075 -10.562 -5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 29.202 -9.304 -4.845 1.00 0.00 H new ATOM 1119 N ARG A 70 30.654 -11.630 1.807 1.00 0.00 N ATOM 1120 CA ARG A 70 30.795 -11.049 3.137 1.00 0.00 C ATOM 1121 C ARG A 70 30.116 -9.686 3.209 1.00 0.00 C ATOM 1122 O ARG A 70 29.853 -9.056 2.184 1.00 0.00 O ATOM 1123 CB ARG A 70 32.274 -10.914 3.501 1.00 0.00 C ATOM 1124 CG ARG A 70 32.599 -11.396 4.905 1.00 0.00 C ATOM 1125 CD ARG A 70 33.948 -12.095 4.956 1.00 0.00 C ATOM 1126 NE ARG A 70 34.024 -13.206 4.012 1.00 0.00 N ATOM 1127 CZ ARG A 70 34.878 -14.219 4.134 1.00 0.00 C ATOM 1128 NH1 ARG A 70 35.723 -14.260 5.154 1.00 0.00 N ATOM 1129 NH2 ARG A 70 34.885 -15.192 3.233 1.00 0.00 N ATOM 0 H ARG A 70 31.458 -11.486 1.196 1.00 0.00 H new ATOM 0 HA ARG A 70 30.310 -11.715 3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 70 32.869 -11.480 2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 70 32.569 -9.869 3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 70 32.601 -10.548 5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 70 31.821 -12.079 5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 70 34.737 -11.377 4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 70 34.127 -12.464 5.966 1.00 0.00 H new ATOM 0 HE ARG A 70 33.387 -13.206 3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 70 35.720 -13.513 5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 70 36.376 -15.038 5.244 1.00 0.00 H new ATOM 0 HH21 ARG A 70 34.236 -15.164 2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 70 35.540 -15.969 3.326 1.00 0.00 H new ATOM 1143 N GLU A 71 29.834 -9.234 4.428 1.00 0.00 N ATOM 1144 CA GLU A 71 29.187 -7.944 4.635 1.00 0.00 C ATOM 1145 C GLU A 71 30.221 -6.834 4.789 1.00 0.00 C ATOM 1146 O GLU A 71 31.422 -7.156 4.913 1.00 0.00 O ATOM 1147 CB GLU A 71 28.287 -7.994 5.871 1.00 0.00 C ATOM 1148 CG GLU A 71 27.025 -7.158 5.736 1.00 0.00 C ATOM 1149 CD GLU A 71 26.929 -6.069 6.787 1.00 0.00 C ATOM 1150 OE1 GLU A 71 27.175 -6.369 7.975 1.00 0.00 O ATOM 1151 OE2 GLU A 71 26.611 -4.919 6.423 1.00 0.00 O ATOM 1152 OXT GLU A 71 29.823 -5.650 4.784 1.00 0.00 O ATOM 0 H GLU A 71 30.044 -9.743 5.287 1.00 0.00 H new ATOM 0 HA GLU A 71 28.577 -7.727 3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 71 28.008 -9.030 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 71 28.852 -7.648 6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 71 26.999 -6.704 4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 71 26.154 -7.808 5.812 1.00 0.00 H new TER 1159 GLU A 71