USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 620 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 89 ASN : amide:sc= 0.541 K(o=1,f=0.054) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.494 USER MOD Set 2.1: A 41 SER OG : rot -50:sc= 0.117 USER MOD Set 2.2: A 62 ASN : amide:sc= 0.103 K(o=0.22,f=-0.5) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.04 (180deg=1.02) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.109 USER MOD Single : A 32 THR OG1 : rot 153:sc= 0.148 USER MOD Single : A 33 MET CE :methyl -174:sc= -2.97! (180deg=-3.18!) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0.575 (180deg=0.48) USER MOD Single : A 35 ASN : amide:sc= 0.113 K(o=0.11,f=-2!) USER MOD Single : A 40 CYS SG : rot -50:sc= 0.25 USER MOD Single : A 43 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= 1.22 (180deg=0.517) USER MOD Single : A 52 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.12) USER MOD Single : A 53 SER OG : rot -22:sc= 0.999 USER MOD Single : A 56 THR OG1 : rot -110:sc= -0.619 USER MOD Single : A 57 THR OG1 : rot 4:sc= 0.265 USER MOD Single : A 59 SER OG : rot 180:sc= -0.156 USER MOD Single : A 60 SER OG : rot 28:sc= 0.0832 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -40:sc= 0.781 USER MOD Single : A 76 SER OG : rot -154:sc= 0.00739 USER MOD Single : A 88 ASN : amide:sc= 0.327 X(o=0.33,f=0) USER MOD Single : A 95 SER OG : rot -178:sc= 1.29 USER MOD Single : A 104 ASN : amide:sc= -0.804 X(o=-0.8,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 25 9.122 12.610 7.732 1.00 0.00 N ATOM 2 CA PRO A 25 9.914 13.840 7.478 1.00 0.00 C ATOM 3 C PRO A 25 9.037 15.092 7.279 1.00 0.00 C ATOM 4 O PRO A 25 8.412 15.539 8.238 1.00 0.00 O ATOM 5 CB PRO A 25 10.887 13.504 6.343 1.00 0.00 C ATOM 6 CG PRO A 25 11.274 12.072 6.707 1.00 0.00 C ATOM 7 CD PRO A 25 9.989 11.484 7.302 1.00 0.00 C ATOM 0 HA PRO A 25 10.497 14.134 8.350 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.415 13.567 5.363 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.748 14.172 6.326 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.602 11.512 5.831 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.094 12.050 7.425 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.475 10.868 6.564 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.222 10.839 8.149 1.00 0.00 H new ATOM 15 N ALA A 26 8.935 15.629 6.051 1.00 0.00 N ATOM 16 CA ALA A 26 7.999 16.703 5.673 1.00 0.00 C ATOM 17 C ALA A 26 6.539 16.367 6.049 1.00 0.00 C ATOM 18 O ALA A 26 5.781 17.223 6.520 1.00 0.00 O ATOM 19 CB ALA A 26 8.152 16.936 4.171 1.00 0.00 C ATOM 0 H ALA A 26 9.517 15.320 5.272 1.00 0.00 H new ATOM 0 HA ALA A 26 8.239 17.611 6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.472 17.727 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.178 17.230 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.915 16.017 3.634 1.00 0.00 H new ATOM 25 N LYS A 27 6.194 15.083 5.915 1.00 0.00 N ATOM 26 CA LYS A 27 4.992 14.415 6.419 1.00 0.00 C ATOM 27 C LYS A 27 5.388 13.095 7.053 1.00 0.00 C ATOM 28 O LYS A 27 6.431 12.512 6.745 1.00 0.00 O ATOM 29 CB LYS A 27 3.996 14.122 5.274 1.00 0.00 C ATOM 30 CG LYS A 27 2.575 14.647 5.530 1.00 0.00 C ATOM 31 CD LYS A 27 1.866 13.894 6.671 1.00 0.00 C ATOM 32 CE LYS A 27 0.341 13.974 6.634 1.00 0.00 C ATOM 33 NZ LYS A 27 -0.170 15.365 6.709 1.00 0.00 N ATOM 0 H LYS A 27 6.797 14.433 5.411 1.00 0.00 H new ATOM 0 HA LYS A 27 4.515 15.073 7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.376 14.566 4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.950 13.045 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.621 15.709 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.987 14.554 4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.163 12.846 6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.215 14.293 7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.019 13.510 5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.068 13.398 7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.210 15.352 6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.189 15.821 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.152 15.899 5.876 1.00 0.00 H new ATOM 47 N ARG A 28 4.496 12.613 7.906 1.00 0.00 N ATOM 48 CA ARG A 28 4.455 11.269 8.433 1.00 0.00 C ATOM 49 C ARG A 28 3.043 10.734 8.303 1.00 0.00 C ATOM 50 O ARG A 28 2.089 11.316 8.824 1.00 0.00 O ATOM 51 CB ARG A 28 4.831 11.342 9.917 1.00 0.00 C ATOM 52 CG ARG A 28 6.292 11.008 10.195 1.00 0.00 C ATOM 53 CD ARG A 28 6.556 9.504 10.390 1.00 0.00 C ATOM 54 NE ARG A 28 5.723 8.914 11.467 1.00 0.00 N ATOM 55 CZ ARG A 28 4.619 8.195 11.309 1.00 0.00 C ATOM 56 NH1 ARG A 28 4.248 7.655 10.190 1.00 0.00 N ATOM 57 NH2 ARG A 28 3.796 8.010 12.298 1.00 0.00 N ATOM 0 H ARG A 28 3.737 13.191 8.267 1.00 0.00 H new ATOM 0 HA ARG A 28 5.141 10.617 7.893 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.620 12.345 10.288 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.197 10.655 10.478 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.902 11.371 9.368 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.614 11.543 11.088 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.359 8.980 9.455 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.609 9.351 10.625 1.00 0.00 H new ATOM 0 HE ARG A 28 6.030 9.078 12.426 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.820 7.771 9.354 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.384 7.115 10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.995 8.420 13.211 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.951 7.455 12.161 1.00 0.00 H new ATOM 71 N TYR A 29 2.938 9.620 7.601 1.00 0.00 N ATOM 72 CA TYR A 29 1.729 8.825 7.530 1.00 0.00 C ATOM 73 C TYR A 29 2.112 7.355 7.329 1.00 0.00 C ATOM 74 O TYR A 29 3.208 7.022 6.878 1.00 0.00 O ATOM 75 CB TYR A 29 0.835 9.310 6.369 1.00 0.00 C ATOM 76 CG TYR A 29 1.263 8.781 5.032 1.00 0.00 C ATOM 77 CD1 TYR A 29 0.818 7.497 4.651 1.00 0.00 C ATOM 78 CD2 TYR A 29 2.132 9.512 4.198 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.290 6.895 3.478 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.544 8.932 2.995 1.00 0.00 C ATOM 81 CZ TYR A 29 2.124 7.627 2.621 1.00 0.00 C ATOM 82 OH TYR A 29 2.440 7.055 1.440 1.00 0.00 O ATOM 0 H TYR A 29 3.708 9.236 7.053 1.00 0.00 H new ATOM 0 HA TYR A 29 1.167 8.932 8.458 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.194 9.006 6.560 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.846 10.400 6.342 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.106 6.973 5.271 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.472 10.497 4.482 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.015 5.879 3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.195 9.487 2.336 1.00 0.00 H new ATOM 0 HH TYR A 29 1.708 6.470 1.153 1.00 0.00 H new ATOM 92 N ARG A 30 1.148 6.485 7.577 1.00 0.00 N ATOM 93 CA ARG A 30 1.151 5.070 7.245 1.00 0.00 C ATOM 94 C ARG A 30 -0.265 4.735 6.792 1.00 0.00 C ATOM 95 O ARG A 30 -1.233 5.055 7.484 1.00 0.00 O ATOM 96 CB ARG A 30 1.566 4.311 8.509 1.00 0.00 C ATOM 97 CG ARG A 30 1.603 2.780 8.427 1.00 0.00 C ATOM 98 CD ARG A 30 2.842 2.252 7.697 1.00 0.00 C ATOM 99 NE ARG A 30 4.092 2.622 8.390 1.00 0.00 N ATOM 100 CZ ARG A 30 4.699 1.988 9.369 1.00 0.00 C ATOM 101 NH1 ARG A 30 4.293 0.839 9.832 1.00 0.00 N ATOM 102 NH2 ARG A 30 5.745 2.536 9.905 1.00 0.00 N ATOM 0 H ARG A 30 0.287 6.766 8.046 1.00 0.00 H new ATOM 0 HA ARG A 30 1.845 4.799 6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.557 4.658 8.801 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.882 4.590 9.310 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.578 2.366 9.435 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.708 2.427 7.915 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.780 1.167 7.616 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.860 2.647 6.681 1.00 0.00 H new ATOM 0 HE ARG A 30 4.542 3.479 8.068 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.468 0.391 9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.800 0.388 10.594 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.079 3.438 9.566 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.234 2.065 10.666 1.00 0.00 H new ATOM 116 N ILE A 31 -0.398 4.173 5.594 1.00 0.00 N ATOM 117 CA ILE A 31 -1.644 3.546 5.139 1.00 0.00 C ATOM 118 C ILE A 31 -1.585 2.068 5.467 1.00 0.00 C ATOM 119 O ILE A 31 -0.508 1.550 5.730 1.00 0.00 O ATOM 120 CB ILE A 31 -1.903 3.713 3.628 1.00 0.00 C ATOM 121 CG1 ILE A 31 -0.792 3.100 2.766 1.00 0.00 C ATOM 122 CG2 ILE A 31 -2.141 5.175 3.291 1.00 0.00 C ATOM 123 CD1 ILE A 31 -1.119 3.055 1.276 1.00 0.00 C ATOM 0 H ILE A 31 0.355 4.137 4.907 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.464 4.047 5.655 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.807 3.154 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.124 3.673 2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.592 2.087 3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.322 5.277 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.008 5.539 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.264 5.760 3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.285 2.609 0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.016 2.457 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.289 4.068 0.910 1.00 0.00 H new ATOM 135 N THR A 32 -2.721 1.407 5.323 1.00 0.00 N ATOM 136 CA THR A 32 -2.949 -0.033 5.363 1.00 0.00 C ATOM 137 C THR A 32 -3.600 -0.470 4.066 1.00 0.00 C ATOM 138 O THR A 32 -4.335 0.296 3.439 1.00 0.00 O ATOM 139 CB THR A 32 -3.872 -0.357 6.537 1.00 0.00 C ATOM 140 OG1 THR A 32 -3.127 -0.164 7.715 1.00 0.00 O ATOM 141 CG2 THR A 32 -4.350 -1.801 6.623 1.00 0.00 C ATOM 0 H THR A 32 -3.592 1.911 5.159 1.00 0.00 H new ATOM 0 HA THR A 32 -2.002 -0.559 5.487 1.00 0.00 H new ATOM 0 HB THR A 32 -4.746 0.281 6.403 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.733 0.060 8.452 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.998 -1.919 7.492 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.905 -2.055 5.720 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.490 -2.464 6.719 1.00 0.00 H new ATOM 149 N MET A 33 -3.306 -1.713 3.683 1.00 0.00 N ATOM 150 CA MET A 33 -3.879 -2.381 2.528 1.00 0.00 C ATOM 151 C MET A 33 -4.242 -3.832 2.839 1.00 0.00 C ATOM 152 O MET A 33 -3.378 -4.645 3.166 1.00 0.00 O ATOM 153 CB MET A 33 -2.915 -2.309 1.326 1.00 0.00 C ATOM 154 CG MET A 33 -2.341 -0.901 1.107 1.00 0.00 C ATOM 155 SD MET A 33 -1.690 -0.436 -0.505 1.00 0.00 S ATOM 156 CE MET A 33 -0.865 -1.975 -0.905 1.00 0.00 C ATOM 0 H MET A 33 -2.640 -2.296 4.189 1.00 0.00 H new ATOM 0 HA MET A 33 -4.800 -1.859 2.269 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.095 -3.011 1.481 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.440 -2.626 0.425 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.127 -0.188 1.357 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.540 -0.761 1.833 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.303 -1.856 -1.831 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.183 -2.243 -0.098 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.607 -2.764 -1.029 1.00 0.00 H new ATOM 166 N LYS A 34 -5.526 -4.167 2.742 1.00 0.00 N ATOM 167 CA LYS A 34 -6.039 -5.519 2.988 1.00 0.00 C ATOM 168 C LYS A 34 -7.379 -5.768 2.404 1.00 0.00 C ATOM 169 O LYS A 34 -8.120 -4.831 2.141 1.00 0.00 O ATOM 170 CB LYS A 34 -6.367 -5.797 4.471 1.00 0.00 C ATOM 171 CG LYS A 34 -6.479 -4.665 5.491 1.00 0.00 C ATOM 172 CD LYS A 34 -7.814 -3.927 5.274 1.00 0.00 C ATOM 173 CE LYS A 34 -8.025 -2.848 6.337 1.00 0.00 C ATOM 174 NZ LYS A 34 -9.274 -2.083 6.100 1.00 0.00 N ATOM 0 H LYS A 34 -6.253 -3.499 2.487 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.234 -6.122 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.315 -6.335 4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.604 -6.482 4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.430 -5.064 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.644 -3.974 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.825 -3.473 4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.637 -4.641 5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.063 -3.311 7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.175 -2.166 6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.428 -1.418 6.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.193 -1.553 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.078 -2.740 6.040 1.00 0.00 H new ATOM 188 N ASN A 35 -7.695 -7.056 2.390 1.00 0.00 N ATOM 189 CA ASN A 35 -9.064 -7.516 2.345 1.00 0.00 C ATOM 190 C ASN A 35 -9.151 -9.035 2.630 1.00 0.00 C ATOM 191 O ASN A 35 -8.122 -9.696 2.767 1.00 0.00 O ATOM 192 CB ASN A 35 -9.712 -6.972 1.071 1.00 0.00 C ATOM 193 CG ASN A 35 -10.951 -7.680 0.564 1.00 0.00 C ATOM 194 OD1 ASN A 35 -11.994 -7.703 1.193 1.00 0.00 O ATOM 195 ND2 ASN A 35 -10.846 -8.307 -0.584 1.00 0.00 N ATOM 0 H ASN A 35 -7.004 -7.806 2.410 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.675 -7.114 3.153 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.968 -5.926 1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.964 -6.991 0.278 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.643 -8.821 -0.959 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.967 -8.280 -1.101 1.00 0.00 H new ATOM 202 N LEU A 36 -10.362 -9.583 2.776 1.00 0.00 N ATOM 203 CA LEU A 36 -10.651 -10.949 3.238 1.00 0.00 C ATOM 204 C LEU A 36 -9.738 -12.080 2.694 1.00 0.00 C ATOM 205 O LEU A 36 -9.344 -12.923 3.505 1.00 0.00 O ATOM 206 CB LEU A 36 -12.160 -11.203 3.032 1.00 0.00 C ATOM 207 CG LEU A 36 -12.709 -12.539 3.580 1.00 0.00 C ATOM 208 CD1 LEU A 36 -14.199 -12.384 3.893 1.00 0.00 C ATOM 209 CD2 LEU A 36 -12.595 -13.694 2.575 1.00 0.00 C ATOM 0 H LEU A 36 -11.212 -9.061 2.565 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.396 -10.996 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.711 -10.388 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.372 -11.158 1.964 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.113 -12.773 4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.589 -13.325 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.335 -11.601 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.736 -12.115 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.997 -14.604 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.159 -13.450 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.548 -13.849 2.316 1.00 0.00 H new ATOM 221 N PRO A 37 -9.375 -12.148 1.390 1.00 0.00 N ATOM 222 CA PRO A 37 -8.515 -13.210 0.864 1.00 0.00 C ATOM 223 C PRO A 37 -7.133 -13.322 1.531 1.00 0.00 C ATOM 224 O PRO A 37 -6.676 -14.434 1.802 1.00 0.00 O ATOM 225 CB PRO A 37 -8.363 -12.919 -0.636 1.00 0.00 C ATOM 226 CG PRO A 37 -9.609 -12.108 -0.970 1.00 0.00 C ATOM 227 CD PRO A 37 -9.833 -11.302 0.299 1.00 0.00 C ATOM 0 HA PRO A 37 -8.983 -14.172 1.074 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.452 -12.359 -0.846 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.314 -13.838 -1.220 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.453 -11.465 -1.836 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.460 -12.749 -1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.277 -10.365 0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.885 -11.045 0.419 1.00 0.00 H new ATOM 235 N GLU A 38 -6.452 -12.196 1.777 1.00 0.00 N ATOM 236 CA GLU A 38 -5.049 -12.159 2.197 1.00 0.00 C ATOM 237 C GLU A 38 -4.588 -10.848 2.864 1.00 0.00 C ATOM 238 O GLU A 38 -5.119 -9.762 2.616 1.00 0.00 O ATOM 239 CB GLU A 38 -4.190 -12.422 0.960 1.00 0.00 C ATOM 240 CG GLU A 38 -4.250 -11.357 -0.142 1.00 0.00 C ATOM 241 CD GLU A 38 -3.250 -11.714 -1.239 1.00 0.00 C ATOM 242 OE1 GLU A 38 -3.589 -12.523 -2.131 1.00 0.00 O ATOM 243 OE2 GLU A 38 -2.111 -11.196 -1.240 1.00 0.00 O ATOM 0 H GLU A 38 -6.870 -11.270 1.688 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.936 -12.920 2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.153 -12.528 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.491 -13.378 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.257 -11.300 -0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.020 -10.375 0.271 1.00 0.00 H new ATOM 250 N GLY A 39 -3.511 -10.954 3.642 1.00 0.00 N ATOM 251 CA GLY A 39 -2.739 -9.832 4.177 1.00 0.00 C ATOM 252 C GLY A 39 -1.463 -9.542 3.376 1.00 0.00 C ATOM 253 O GLY A 39 -0.614 -8.788 3.847 1.00 0.00 O ATOM 0 H GLY A 39 -3.138 -11.859 3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.365 -8.940 4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.471 -10.044 5.212 1.00 0.00 H new ATOM 257 N CYS A 40 -1.341 -10.119 2.176 1.00 0.00 N ATOM 258 CA CYS A 40 -0.230 -9.976 1.232 1.00 0.00 C ATOM 259 C CYS A 40 1.171 -10.252 1.836 1.00 0.00 C ATOM 260 O CYS A 40 1.305 -10.941 2.848 1.00 0.00 O ATOM 261 CB CYS A 40 -0.343 -8.598 0.552 1.00 0.00 C ATOM 262 SG CYS A 40 -2.030 -8.225 -0.012 1.00 0.00 S ATOM 0 H CYS A 40 -2.065 -10.740 1.815 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.321 -10.760 0.481 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.020 -7.826 1.250 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.336 -8.562 -0.300 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.486 -9.224 -0.707 1.00 0.00 H new ATOM 268 N SER A 41 2.226 -9.748 1.184 1.00 0.00 N ATOM 269 CA SER A 41 3.622 -9.685 1.664 1.00 0.00 C ATOM 270 C SER A 41 4.302 -8.465 1.023 1.00 0.00 C ATOM 271 O SER A 41 3.831 -7.993 -0.011 1.00 0.00 O ATOM 272 CB SER A 41 4.407 -10.955 1.304 1.00 0.00 C ATOM 273 OG SER A 41 3.827 -12.113 1.870 1.00 0.00 O ATOM 0 H SER A 41 2.128 -9.348 0.251 1.00 0.00 H new ATOM 0 HA SER A 41 3.612 -9.601 2.751 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.447 -11.062 0.220 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.435 -10.857 1.652 1.00 0.00 H new ATOM 0 HG SER A 41 3.670 -11.966 2.826 1.00 0.00 H new ATOM 279 N TRP A 42 5.392 -7.921 1.592 1.00 0.00 N ATOM 280 CA TRP A 42 5.951 -6.669 1.046 1.00 0.00 C ATOM 281 C TRP A 42 6.425 -6.806 -0.394 1.00 0.00 C ATOM 282 O TRP A 42 6.130 -5.953 -1.227 1.00 0.00 O ATOM 283 CB TRP A 42 7.069 -6.071 1.907 1.00 0.00 C ATOM 284 CG TRP A 42 7.599 -4.745 1.405 1.00 0.00 C ATOM 285 CD1 TRP A 42 8.890 -4.346 1.485 1.00 0.00 C ATOM 286 CD2 TRP A 42 6.909 -3.667 0.679 1.00 0.00 C ATOM 287 NE1 TRP A 42 9.054 -3.136 0.838 1.00 0.00 N ATOM 288 CE2 TRP A 42 7.878 -2.699 0.271 1.00 0.00 C ATOM 289 CE3 TRP A 42 5.572 -3.410 0.285 1.00 0.00 C ATOM 290 CZ2 TRP A 42 7.553 -1.598 -0.540 1.00 0.00 C ATOM 291 CZ3 TRP A 42 5.236 -2.327 -0.531 1.00 0.00 C ATOM 292 CH2 TRP A 42 6.224 -1.437 -0.967 1.00 0.00 C ATOM 0 H TRP A 42 5.887 -8.307 2.396 1.00 0.00 H new ATOM 0 HA TRP A 42 5.112 -5.974 1.064 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.698 -5.940 2.924 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.893 -6.783 1.958 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.677 -4.894 1.982 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.938 -2.629 0.787 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.789 -4.071 0.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.313 -0.887 -0.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.208 -2.176 -0.827 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.965 -0.626 -1.632 1.00 0.00 H new ATOM 303 N GLN A 43 7.082 -7.917 -0.736 1.00 0.00 N ATOM 304 CA GLN A 43 7.542 -8.163 -2.103 1.00 0.00 C ATOM 305 C GLN A 43 6.437 -8.065 -3.158 1.00 0.00 C ATOM 306 O GLN A 43 6.591 -7.455 -4.223 1.00 0.00 O ATOM 307 CB GLN A 43 8.279 -9.517 -2.188 1.00 0.00 C ATOM 308 CG GLN A 43 7.525 -10.705 -1.539 1.00 0.00 C ATOM 309 CD GLN A 43 7.906 -12.043 -2.176 1.00 0.00 C ATOM 310 OE1 GLN A 43 9.034 -12.510 -2.082 1.00 0.00 O ATOM 311 NE2 GLN A 43 6.988 -12.710 -2.848 1.00 0.00 N ATOM 0 H GLN A 43 7.308 -8.664 -0.080 1.00 0.00 H new ATOM 0 HA GLN A 43 8.239 -7.359 -2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.463 -9.750 -3.237 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.253 -9.416 -1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.746 -10.735 -0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.451 -10.550 -1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.044 -12.333 -2.934 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.222 -13.603 -3.281 1.00 0.00 H new ATOM 320 N ASP A 44 5.291 -8.614 -2.799 1.00 0.00 N ATOM 321 CA ASP A 44 4.096 -8.730 -3.601 1.00 0.00 C ATOM 322 C ASP A 44 3.434 -7.367 -3.753 1.00 0.00 C ATOM 323 O ASP A 44 3.030 -6.961 -4.847 1.00 0.00 O ATOM 324 CB ASP A 44 3.190 -9.692 -2.840 1.00 0.00 C ATOM 325 CG ASP A 44 3.284 -11.125 -3.361 1.00 0.00 C ATOM 326 OD1 ASP A 44 4.317 -11.792 -3.122 1.00 0.00 O ATOM 327 OD2 ASP A 44 2.310 -11.581 -4.006 1.00 0.00 O ATOM 0 H ASP A 44 5.167 -9.019 -1.871 1.00 0.00 H new ATOM 0 HA ASP A 44 4.308 -9.093 -4.607 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.455 -9.676 -1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.158 -9.349 -2.915 1.00 0.00 H new ATOM 332 N LEU A 45 3.359 -6.648 -2.637 1.00 0.00 N ATOM 333 CA LEU A 45 2.747 -5.342 -2.564 1.00 0.00 C ATOM 334 C LEU A 45 3.549 -4.241 -3.238 1.00 0.00 C ATOM 335 O LEU A 45 2.945 -3.360 -3.843 1.00 0.00 O ATOM 336 CB LEU A 45 2.576 -5.014 -1.091 1.00 0.00 C ATOM 337 CG LEU A 45 1.311 -5.622 -0.504 1.00 0.00 C ATOM 338 CD1 LEU A 45 1.235 -5.051 0.889 1.00 0.00 C ATOM 339 CD2 LEU A 45 0.028 -5.251 -1.250 1.00 0.00 C ATOM 0 H LEU A 45 3.732 -6.971 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 45 1.800 -5.383 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.441 -5.378 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.549 -3.932 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 45 1.372 -6.709 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.348 -5.436 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.124 -5.339 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.178 -3.964 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.825 -5.726 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.102 -4.169 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.096 -5.593 -2.283 1.00 0.00 H new ATOM 351 N LYS A 46 4.882 -4.303 -3.157 1.00 0.00 N ATOM 352 CA LYS A 46 5.811 -3.510 -3.969 1.00 0.00 C ATOM 353 C LYS A 46 5.463 -3.787 -5.404 1.00 0.00 C ATOM 354 O LYS A 46 5.119 -2.845 -6.095 1.00 0.00 O ATOM 355 CB LYS A 46 7.243 -3.920 -3.637 1.00 0.00 C ATOM 356 CG LYS A 46 8.281 -3.290 -4.585 1.00 0.00 C ATOM 357 CD LYS A 46 9.526 -4.173 -4.628 1.00 0.00 C ATOM 358 CE LYS A 46 9.335 -5.502 -5.388 1.00 0.00 C ATOM 359 NZ LYS A 46 9.191 -5.309 -6.856 1.00 0.00 N ATOM 0 H LYS A 46 5.359 -4.925 -2.505 1.00 0.00 H new ATOM 0 HA LYS A 46 5.732 -2.441 -3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.471 -3.629 -2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.325 -5.006 -3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.861 -3.185 -5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.543 -2.289 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.337 -3.614 -5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.837 -4.393 -3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.187 -6.153 -5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.451 -6.011 -5.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.512 -6.001 -7.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.846 -4.347 -7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.114 -5.444 -7.316 1.00 0.00 H new ATOM 373 N ASP A 47 5.495 -5.050 -5.813 1.00 0.00 N ATOM 374 CA ASP A 47 5.219 -5.412 -7.199 1.00 0.00 C ATOM 375 C ASP A 47 3.919 -4.798 -7.704 1.00 0.00 C ATOM 376 O ASP A 47 3.968 -4.009 -8.647 1.00 0.00 O ATOM 377 CB ASP A 47 5.238 -6.938 -7.371 1.00 0.00 C ATOM 378 CG ASP A 47 6.295 -7.388 -8.392 1.00 0.00 C ATOM 379 OD1 ASP A 47 7.492 -7.063 -8.190 1.00 0.00 O ATOM 380 OD2 ASP A 47 5.936 -8.065 -9.384 1.00 0.00 O ATOM 0 H ASP A 47 5.709 -5.841 -5.205 1.00 0.00 H new ATOM 0 HA ASP A 47 6.014 -4.994 -7.817 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.439 -7.409 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.254 -7.279 -7.693 1.00 0.00 H new ATOM 385 N LEU A 48 2.800 -5.035 -7.007 1.00 0.00 N ATOM 386 CA LEU A 48 1.546 -4.378 -7.354 1.00 0.00 C ATOM 387 C LEU A 48 1.693 -2.859 -7.350 1.00 0.00 C ATOM 388 O LEU A 48 1.274 -2.213 -8.297 1.00 0.00 O ATOM 389 CB LEU A 48 0.343 -4.876 -6.531 1.00 0.00 C ATOM 390 CG LEU A 48 -0.972 -4.189 -6.979 1.00 0.00 C ATOM 391 CD1 LEU A 48 -2.256 -4.894 -6.581 1.00 0.00 C ATOM 392 CD2 LEU A 48 -1.157 -2.831 -6.340 1.00 0.00 C ATOM 0 H LEU A 48 2.743 -5.669 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 48 1.314 -4.670 -8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.247 -5.956 -6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.517 -4.678 -5.473 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.839 -4.178 -8.061 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.111 -4.326 -6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.272 -5.893 -7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.308 -4.970 -5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.092 -2.391 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.186 -2.940 -5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.326 -2.182 -6.617 1.00 0.00 H new ATOM 404 N ALA A 49 2.278 -2.241 -6.339 1.00 0.00 N ATOM 405 CA ALA A 49 2.472 -0.799 -6.332 1.00 0.00 C ATOM 406 C ALA A 49 3.189 -0.282 -7.595 1.00 0.00 C ATOM 407 O ALA A 49 2.761 0.719 -8.173 1.00 0.00 O ATOM 408 CB ALA A 49 3.187 -0.444 -5.031 1.00 0.00 C ATOM 0 H ALA A 49 2.629 -2.717 -5.508 1.00 0.00 H new ATOM 0 HA ALA A 49 1.509 -0.290 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.351 0.633 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.574 -0.752 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.147 -0.959 -4.991 1.00 0.00 H new ATOM 414 N ARG A 50 4.185 -1.016 -8.106 1.00 0.00 N ATOM 415 CA ARG A 50 4.863 -0.686 -9.373 1.00 0.00 C ATOM 416 C ARG A 50 3.922 -0.878 -10.578 1.00 0.00 C ATOM 417 O ARG A 50 3.996 -0.121 -11.548 1.00 0.00 O ATOM 418 CB ARG A 50 6.191 -1.447 -9.553 1.00 0.00 C ATOM 419 CG ARG A 50 6.970 -1.729 -8.264 1.00 0.00 C ATOM 420 CD ARG A 50 7.131 -0.606 -7.226 1.00 0.00 C ATOM 421 NE ARG A 50 8.361 0.178 -7.473 1.00 0.00 N ATOM 422 CZ ARG A 50 8.492 1.411 -7.939 1.00 0.00 C ATOM 423 NH1 ARG A 50 7.512 2.234 -8.149 1.00 0.00 N ATOM 424 NH2 ARG A 50 9.665 1.897 -8.205 1.00 0.00 N ATOM 0 H ARG A 50 4.546 -1.857 -7.655 1.00 0.00 H new ATOM 0 HA ARG A 50 5.125 0.371 -9.323 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.981 -2.397 -10.045 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.830 -0.874 -10.225 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.487 -2.570 -7.766 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.969 -2.058 -8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.263 0.053 -7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.165 -1.035 -6.224 1.00 0.00 H new ATOM 0 HE ARG A 50 9.235 -0.300 -7.253 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.553 1.946 -7.952 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.700 3.169 -8.511 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.498 1.328 -8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.754 2.848 -8.563 1.00 0.00 H new ATOM 438 N GLU A 51 2.985 -1.829 -10.481 1.00 0.00 N ATOM 439 CA GLU A 51 1.847 -2.007 -11.422 1.00 0.00 C ATOM 440 C GLU A 51 0.865 -0.833 -11.435 1.00 0.00 C ATOM 441 O GLU A 51 0.234 -0.521 -12.447 1.00 0.00 O ATOM 442 CB GLU A 51 0.997 -3.260 -11.113 1.00 0.00 C ATOM 443 CG GLU A 51 1.798 -4.565 -11.106 1.00 0.00 C ATOM 444 CD GLU A 51 2.145 -5.075 -12.519 1.00 0.00 C ATOM 445 OE1 GLU A 51 3.099 -4.556 -13.146 1.00 0.00 O ATOM 446 OE2 GLU A 51 1.463 -6.006 -13.009 1.00 0.00 O ATOM 0 H GLU A 51 2.988 -2.519 -9.730 1.00 0.00 H new ATOM 0 HA GLU A 51 2.346 -2.096 -12.387 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.519 -3.133 -10.142 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.200 -3.338 -11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.720 -4.414 -10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.227 -5.331 -10.581 1.00 0.00 H new ATOM 453 N ASN A 52 0.740 -0.201 -10.274 1.00 0.00 N ATOM 454 CA ASN A 52 -0.297 0.755 -9.921 1.00 0.00 C ATOM 455 C ASN A 52 0.198 2.206 -9.793 1.00 0.00 C ATOM 456 O ASN A 52 -0.596 3.102 -9.505 1.00 0.00 O ATOM 457 CB ASN A 52 -0.890 0.210 -8.621 1.00 0.00 C ATOM 458 CG ASN A 52 -2.090 -0.680 -8.859 1.00 0.00 C ATOM 459 OD1 ASN A 52 -3.236 -0.297 -8.687 1.00 0.00 O ATOM 460 ND2 ASN A 52 -1.856 -1.903 -9.253 1.00 0.00 N ATOM 0 H ASN A 52 1.399 -0.353 -9.511 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.040 0.836 -10.714 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.126 -0.352 -8.085 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.181 1.043 -7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.633 -2.543 -9.418 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.896 -2.218 -9.395 1.00 0.00 H new ATOM 467 N SER A 53 1.491 2.436 -10.039 1.00 0.00 N ATOM 468 CA SER A 53 2.203 3.723 -10.045 1.00 0.00 C ATOM 469 C SER A 53 2.480 4.319 -8.657 1.00 0.00 C ATOM 470 O SER A 53 2.818 5.499 -8.540 1.00 0.00 O ATOM 471 CB SER A 53 1.679 4.713 -11.108 1.00 0.00 C ATOM 472 OG SER A 53 0.349 5.146 -10.908 1.00 0.00 O ATOM 0 H SER A 53 2.121 1.664 -10.258 1.00 0.00 H new ATOM 0 HA SER A 53 3.209 3.482 -10.388 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.332 5.586 -11.125 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.750 4.243 -12.089 1.00 0.00 H new ATOM 0 HG SER A 53 -0.126 4.496 -10.349 1.00 0.00 H new ATOM 478 N LEU A 54 2.377 3.494 -7.605 1.00 0.00 N ATOM 479 CA LEU A 54 2.928 3.841 -6.299 1.00 0.00 C ATOM 480 C LEU A 54 4.444 3.665 -6.379 1.00 0.00 C ATOM 481 O LEU A 54 4.991 2.810 -7.079 1.00 0.00 O ATOM 482 CB LEU A 54 2.406 2.943 -5.158 1.00 0.00 C ATOM 483 CG LEU A 54 1.035 3.222 -4.524 1.00 0.00 C ATOM 484 CD1 LEU A 54 0.951 2.535 -3.142 1.00 0.00 C ATOM 485 CD2 LEU A 54 0.755 4.715 -4.374 1.00 0.00 C ATOM 0 H LEU A 54 1.917 2.584 -7.639 1.00 0.00 H new ATOM 0 HA LEU A 54 2.626 4.863 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.387 1.920 -5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.145 2.974 -4.358 1.00 0.00 H new ATOM 0 HG LEU A 54 0.278 2.815 -5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.023 2.735 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.081 1.459 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.735 2.926 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.226 4.857 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.517 5.166 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.774 5.189 -5.355 1.00 0.00 H new ATOM 497 N GLU A 55 5.100 4.480 -5.579 1.00 0.00 N ATOM 498 CA GLU A 55 6.550 4.605 -5.453 1.00 0.00 C ATOM 499 C GLU A 55 6.904 5.074 -4.037 1.00 0.00 C ATOM 500 O GLU A 55 7.556 6.088 -3.790 1.00 0.00 O ATOM 501 CB GLU A 55 7.084 5.501 -6.575 1.00 0.00 C ATOM 502 CG GLU A 55 8.613 5.452 -6.579 1.00 0.00 C ATOM 503 CD GLU A 55 9.178 5.579 -7.997 1.00 0.00 C ATOM 504 OE1 GLU A 55 9.102 4.573 -8.751 1.00 0.00 O ATOM 505 OE2 GLU A 55 9.705 6.656 -8.371 1.00 0.00 O ATOM 0 H GLU A 55 4.607 5.119 -4.955 1.00 0.00 H new ATOM 0 HA GLU A 55 7.044 3.642 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.696 5.168 -7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.742 6.526 -6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.005 6.257 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.949 4.514 -6.136 1.00 0.00 H new ATOM 512 N THR A 56 6.347 4.330 -3.094 1.00 0.00 N ATOM 513 CA THR A 56 6.491 4.504 -1.656 1.00 0.00 C ATOM 514 C THR A 56 7.916 4.183 -1.168 1.00 0.00 C ATOM 515 O THR A 56 8.748 3.655 -1.909 1.00 0.00 O ATOM 516 CB THR A 56 5.504 3.570 -0.945 1.00 0.00 C ATOM 517 OG1 THR A 56 5.765 2.258 -1.403 1.00 0.00 O ATOM 518 CG2 THR A 56 4.032 3.886 -1.205 1.00 0.00 C ATOM 0 H THR A 56 5.745 3.540 -3.326 1.00 0.00 H new ATOM 0 HA THR A 56 6.287 5.549 -1.425 1.00 0.00 H new ATOM 0 HB THR A 56 5.655 3.695 0.127 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.023 1.955 -1.967 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.406 3.176 -0.664 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.811 4.898 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.827 3.810 -2.273 1.00 0.00 H new ATOM 526 N THR A 57 8.217 4.471 0.104 1.00 0.00 N ATOM 527 CA THR A 57 9.515 4.146 0.710 1.00 0.00 C ATOM 528 C THR A 57 9.552 2.677 1.107 1.00 0.00 C ATOM 529 O THR A 57 10.532 1.978 0.833 1.00 0.00 O ATOM 530 CB THR A 57 9.769 4.960 1.993 1.00 0.00 C ATOM 531 OG1 THR A 57 9.406 6.314 1.830 1.00 0.00 O ATOM 532 CG2 THR A 57 11.238 4.938 2.419 1.00 0.00 C ATOM 0 H THR A 57 7.570 4.935 0.741 1.00 0.00 H new ATOM 0 HA THR A 57 10.275 4.382 -0.035 1.00 0.00 H new ATOM 0 HB THR A 57 9.155 4.484 2.758 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.005 6.441 0.945 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.362 5.527 3.328 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.547 3.910 2.607 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.853 5.362 1.625 1.00 0.00 H new ATOM 540 N PHE A 58 8.483 2.218 1.772 1.00 0.00 N ATOM 541 CA PHE A 58 8.450 0.924 2.444 1.00 0.00 C ATOM 542 C PHE A 58 7.049 0.508 2.894 1.00 0.00 C ATOM 543 O PHE A 58 6.118 1.319 2.887 1.00 0.00 O ATOM 544 CB PHE A 58 9.414 1.008 3.648 1.00 0.00 C ATOM 545 CG PHE A 58 8.859 0.950 5.053 1.00 0.00 C ATOM 546 CD1 PHE A 58 8.292 2.096 5.639 1.00 0.00 C ATOM 547 CD2 PHE A 58 8.962 -0.239 5.807 1.00 0.00 C ATOM 548 CE1 PHE A 58 7.820 2.049 6.963 1.00 0.00 C ATOM 549 CE2 PHE A 58 8.485 -0.286 7.126 1.00 0.00 C ATOM 550 CZ PHE A 58 7.915 0.860 7.707 1.00 0.00 C ATOM 0 H PHE A 58 7.613 2.743 1.856 1.00 0.00 H new ATOM 0 HA PHE A 58 8.760 0.153 1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.133 0.195 3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.971 1.940 3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.219 3.012 5.072 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.410 -1.117 5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.383 2.930 7.410 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.556 -1.202 7.694 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.551 0.827 8.723 1.00 0.00 H new ATOM 560 N SER A 59 6.932 -0.741 3.354 1.00 0.00 N ATOM 561 CA SER A 59 5.763 -1.239 4.074 1.00 0.00 C ATOM 562 C SER A 59 6.127 -2.214 5.200 1.00 0.00 C ATOM 563 O SER A 59 7.064 -3.010 5.095 1.00 0.00 O ATOM 564 CB SER A 59 4.812 -1.973 3.141 1.00 0.00 C ATOM 565 OG SER A 59 3.698 -2.506 3.822 1.00 0.00 O ATOM 0 H SER A 59 7.661 -1.444 3.233 1.00 0.00 H new ATOM 0 HA SER A 59 5.292 -0.352 4.498 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.468 -1.289 2.365 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.348 -2.779 2.640 1.00 0.00 H new ATOM 0 HG SER A 59 3.114 -2.967 3.184 1.00 0.00 H new ATOM 571 N SER A 60 5.317 -2.169 6.251 1.00 0.00 N ATOM 572 CA SER A 60 5.234 -3.162 7.313 1.00 0.00 C ATOM 573 C SER A 60 4.154 -4.184 6.929 1.00 0.00 C ATOM 574 O SER A 60 2.963 -3.861 6.920 1.00 0.00 O ATOM 575 CB SER A 60 4.848 -2.468 8.622 1.00 0.00 C ATOM 576 OG SER A 60 5.938 -1.712 9.119 1.00 0.00 O ATOM 0 H SER A 60 4.666 -1.397 6.392 1.00 0.00 H new ATOM 0 HA SER A 60 6.193 -3.663 7.446 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.990 -1.816 8.456 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.546 -3.211 9.360 1.00 0.00 H new ATOM 0 HG SER A 60 6.507 -1.428 8.373 1.00 0.00 H new ATOM 582 N VAL A 61 4.571 -5.414 6.614 1.00 0.00 N ATOM 583 CA VAL A 61 3.705 -6.553 6.233 1.00 0.00 C ATOM 584 C VAL A 61 4.085 -7.787 7.061 1.00 0.00 C ATOM 585 O VAL A 61 5.155 -7.828 7.671 1.00 0.00 O ATOM 586 CB VAL A 61 3.767 -6.852 4.715 1.00 0.00 C ATOM 587 CG1 VAL A 61 2.488 -7.548 4.217 1.00 0.00 C ATOM 588 CG2 VAL A 61 3.898 -5.586 3.868 1.00 0.00 C ATOM 0 H VAL A 61 5.560 -5.662 6.615 1.00 0.00 H new ATOM 0 HA VAL A 61 2.672 -6.283 6.450 1.00 0.00 H new ATOM 0 HB VAL A 61 4.645 -7.488 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.571 -7.740 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.358 -8.492 4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.628 -6.905 4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.937 -5.857 2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.039 -4.939 4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.812 -5.058 4.141 1.00 0.00 H new ATOM 598 N ASN A 62 3.214 -8.799 7.091 1.00 0.00 N ATOM 599 CA ASN A 62 3.430 -10.147 7.650 1.00 0.00 C ATOM 600 C ASN A 62 3.512 -10.247 9.195 1.00 0.00 C ATOM 601 O ASN A 62 3.349 -11.345 9.730 1.00 0.00 O ATOM 602 CB ASN A 62 4.646 -10.804 6.953 1.00 0.00 C ATOM 603 CG ASN A 62 4.538 -10.800 5.448 1.00 0.00 C ATOM 604 OD1 ASN A 62 3.521 -11.155 4.880 1.00 0.00 O ATOM 605 ND2 ASN A 62 5.556 -10.359 4.740 1.00 0.00 N ATOM 0 H ASN A 62 2.277 -8.698 6.702 1.00 0.00 H new ATOM 0 HA ASN A 62 2.520 -10.706 7.430 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.554 -10.278 7.248 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.746 -11.832 7.302 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.490 -10.316 3.723 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.411 -10.060 5.208 1.00 0.00 H new ATOM 612 N THR A 63 3.727 -9.140 9.919 1.00 0.00 N ATOM 613 CA THR A 63 3.979 -9.124 11.383 1.00 0.00 C ATOM 614 C THR A 63 3.254 -7.981 12.118 1.00 0.00 C ATOM 615 O THR A 63 3.684 -7.552 13.195 1.00 0.00 O ATOM 616 CB THR A 63 5.496 -9.095 11.678 1.00 0.00 C ATOM 617 OG1 THR A 63 6.090 -7.898 11.219 1.00 0.00 O ATOM 618 CG2 THR A 63 6.263 -10.246 11.017 1.00 0.00 C ATOM 0 H THR A 63 3.733 -8.208 9.504 1.00 0.00 H new ATOM 0 HA THR A 63 3.558 -10.050 11.775 1.00 0.00 H new ATOM 0 HB THR A 63 5.565 -9.184 12.762 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.049 -7.910 11.422 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.322 -10.167 11.264 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.876 -11.198 11.381 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.138 -10.193 9.936 1.00 0.00 H new ATOM 626 N ARG A 64 2.156 -7.463 11.543 1.00 0.00 N ATOM 627 CA ARG A 64 1.466 -6.226 11.978 1.00 0.00 C ATOM 628 C ARG A 64 -0.058 -6.356 12.183 1.00 0.00 C ATOM 629 O ARG A 64 -0.655 -5.485 12.814 1.00 0.00 O ATOM 630 CB ARG A 64 1.911 -5.105 10.998 1.00 0.00 C ATOM 631 CG ARG A 64 1.104 -3.790 10.972 1.00 0.00 C ATOM 632 CD ARG A 64 -0.027 -3.858 9.926 1.00 0.00 C ATOM 633 NE ARG A 64 -1.329 -3.345 10.394 1.00 0.00 N ATOM 634 CZ ARG A 64 -1.732 -2.098 10.513 1.00 0.00 C ATOM 635 NH1 ARG A 64 -0.922 -1.083 10.445 1.00 0.00 N ATOM 636 NH2 ARG A 64 -2.991 -1.863 10.722 1.00 0.00 N ATOM 0 H ARG A 64 1.707 -7.902 10.739 1.00 0.00 H new ATOM 0 HA ARG A 64 1.768 -5.972 12.994 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.947 -4.855 11.228 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.900 -5.521 9.991 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.681 -3.599 11.958 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.767 -2.956 10.742 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.276 -3.292 9.045 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.151 -4.894 9.612 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.011 -4.055 10.662 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.075 -1.235 10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.284 -0.134 10.543 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.650 -2.639 10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.322 -0.903 10.817 1.00 0.00 H new ATOM 650 N ASP A 65 -0.708 -7.427 11.715 1.00 0.00 N ATOM 651 CA ASP A 65 -2.182 -7.536 11.708 1.00 0.00 C ATOM 652 C ASP A 65 -2.708 -8.998 11.641 1.00 0.00 C ATOM 653 O ASP A 65 -1.953 -9.944 11.880 1.00 0.00 O ATOM 654 CB ASP A 65 -2.698 -6.708 10.515 1.00 0.00 C ATOM 655 CG ASP A 65 -3.955 -5.892 10.848 1.00 0.00 C ATOM 656 OD1 ASP A 65 -5.021 -6.514 11.064 1.00 0.00 O ATOM 657 OD2 ASP A 65 -3.864 -4.640 10.897 1.00 0.00 O ATOM 0 H ASP A 65 -0.234 -8.244 11.330 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.560 -7.152 12.656 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.911 -6.032 10.182 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.916 -7.377 9.683 1.00 0.00 H new ATOM 662 N PHE A 66 -3.996 -9.183 11.311 1.00 0.00 N ATOM 663 CA PHE A 66 -4.761 -10.449 11.204 1.00 0.00 C ATOM 664 C PHE A 66 -4.111 -11.614 10.412 1.00 0.00 C ATOM 665 O PHE A 66 -4.478 -12.777 10.588 1.00 0.00 O ATOM 666 CB PHE A 66 -6.146 -10.120 10.590 1.00 0.00 C ATOM 667 CG PHE A 66 -6.228 -10.132 9.068 1.00 0.00 C ATOM 668 CD1 PHE A 66 -5.308 -9.396 8.294 1.00 0.00 C ATOM 669 CD2 PHE A 66 -7.196 -10.917 8.407 1.00 0.00 C ATOM 670 CE1 PHE A 66 -5.304 -9.493 6.889 1.00 0.00 C ATOM 671 CE2 PHE A 66 -7.227 -10.976 6.997 1.00 0.00 C ATOM 672 CZ PHE A 66 -6.275 -10.273 6.243 1.00 0.00 C ATOM 0 H PHE A 66 -4.588 -8.382 11.091 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.812 -10.834 12.223 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.871 -10.835 10.978 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.451 -9.134 10.942 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.596 -8.749 8.785 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.918 -11.476 8.983 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.557 -8.969 6.311 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -7.984 -11.563 6.498 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.290 -10.332 5.165 1.00 0.00 H new ATOM 682 N ASP A 67 -3.170 -11.292 9.517 1.00 0.00 N ATOM 683 CA ASP A 67 -2.436 -12.177 8.599 1.00 0.00 C ATOM 684 C ASP A 67 -1.175 -11.446 8.099 1.00 0.00 C ATOM 685 O ASP A 67 -0.098 -12.032 7.978 1.00 0.00 O ATOM 686 CB ASP A 67 -3.335 -12.542 7.403 1.00 0.00 C ATOM 687 CG ASP A 67 -2.663 -13.522 6.428 1.00 0.00 C ATOM 688 OD1 ASP A 67 -2.284 -14.640 6.851 1.00 0.00 O ATOM 689 OD2 ASP A 67 -2.543 -13.185 5.223 1.00 0.00 O ATOM 0 H ASP A 67 -2.876 -10.322 9.405 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.148 -13.091 9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.261 -12.982 7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.606 -11.632 6.867 1.00 0.00 H new ATOM 694 N GLY A 68 -1.305 -10.130 7.880 1.00 0.00 N ATOM 695 CA GLY A 68 -0.196 -9.211 7.629 1.00 0.00 C ATOM 696 C GLY A 68 -0.661 -7.776 7.403 1.00 0.00 C ATOM 697 O GLY A 68 -0.402 -6.906 8.225 1.00 0.00 O ATOM 0 H GLY A 68 -2.213 -9.666 7.873 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.491 -9.237 8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.361 -9.550 6.756 1.00 0.00 H new ATOM 701 N THR A 69 -1.422 -7.582 6.322 1.00 0.00 N ATOM 702 CA THR A 69 -1.846 -6.303 5.715 1.00 0.00 C ATOM 703 C THR A 69 -0.657 -5.429 5.291 1.00 0.00 C ATOM 704 O THR A 69 0.361 -5.319 5.970 1.00 0.00 O ATOM 705 CB THR A 69 -2.848 -5.487 6.552 1.00 0.00 C ATOM 706 OG1 THR A 69 -2.202 -4.792 7.588 1.00 0.00 O ATOM 707 CG2 THR A 69 -3.946 -6.318 7.190 1.00 0.00 C ATOM 0 H THR A 69 -1.791 -8.377 5.801 1.00 0.00 H new ATOM 0 HA THR A 69 -2.387 -6.611 4.821 1.00 0.00 H new ATOM 0 HB THR A 69 -3.301 -4.805 5.833 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.504 -5.359 7.977 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.609 -5.668 7.761 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.517 -6.825 6.412 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.502 -7.059 7.855 1.00 0.00 H new ATOM 715 N GLY A 70 -0.790 -4.785 4.137 1.00 0.00 N ATOM 716 CA GLY A 70 0.187 -3.873 3.572 1.00 0.00 C ATOM 717 C GLY A 70 0.192 -2.519 4.235 1.00 0.00 C ATOM 718 O GLY A 70 -0.509 -1.640 3.741 1.00 0.00 O ATOM 0 H GLY A 70 -1.616 -4.891 3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.179 -4.316 3.658 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.015 -3.748 2.508 1.00 0.00 H new ATOM 722 N ALA A 71 0.921 -2.320 5.330 1.00 0.00 N ATOM 723 CA ALA A 71 0.989 -0.993 5.923 1.00 0.00 C ATOM 724 C ALA A 71 2.131 -0.161 5.314 1.00 0.00 C ATOM 725 O ALA A 71 3.277 -0.298 5.725 1.00 0.00 O ATOM 726 CB ALA A 71 0.960 -1.085 7.445 1.00 0.00 C ATOM 0 H ALA A 71 1.458 -3.041 5.812 1.00 0.00 H new ATOM 0 HA ALA A 71 0.096 -0.423 5.666 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.012 -0.083 7.871 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.036 -1.567 7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.812 -1.671 7.790 1.00 0.00 H new ATOM 732 N LEU A 72 1.839 0.628 4.280 1.00 0.00 N ATOM 733 CA LEU A 72 2.802 1.384 3.445 1.00 0.00 C ATOM 734 C LEU A 72 3.024 2.795 4.010 1.00 0.00 C ATOM 735 O LEU A 72 2.116 3.390 4.588 1.00 0.00 O ATOM 736 CB LEU A 72 2.237 1.582 2.045 1.00 0.00 C ATOM 737 CG LEU A 72 2.498 0.554 0.945 1.00 0.00 C ATOM 738 CD1 LEU A 72 3.945 0.625 0.484 1.00 0.00 C ATOM 739 CD2 LEU A 72 1.971 -0.843 1.249 1.00 0.00 C ATOM 0 H LEU A 72 0.876 0.772 3.978 1.00 0.00 H new ATOM 0 HA LEU A 72 3.731 0.813 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.156 1.676 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.608 2.541 1.682 1.00 0.00 H new ATOM 0 HG LEU A 72 1.890 0.830 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.114 -0.114 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.154 1.621 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.606 0.418 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.200 -1.507 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.444 -1.221 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.891 -0.801 1.394 1.00 0.00 H new ATOM 751 N GLU A 73 4.180 3.384 3.733 1.00 0.00 N ATOM 752 CA GLU A 73 4.535 4.747 4.226 1.00 0.00 C ATOM 753 C GLU A 73 5.342 5.598 3.202 1.00 0.00 C ATOM 754 O GLU A 73 6.080 5.059 2.365 1.00 0.00 O ATOM 755 CB GLU A 73 5.301 4.565 5.549 1.00 0.00 C ATOM 756 CG GLU A 73 5.991 5.814 6.133 1.00 0.00 C ATOM 757 CD GLU A 73 6.019 5.843 7.680 1.00 0.00 C ATOM 758 OE1 GLU A 73 5.945 4.777 8.329 1.00 0.00 O ATOM 759 OE2 GLU A 73 6.119 6.953 8.250 1.00 0.00 O ATOM 0 H GLU A 73 4.907 2.950 3.165 1.00 0.00 H new ATOM 0 HA GLU A 73 3.619 5.318 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.604 4.183 6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.060 3.797 5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.014 5.862 5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.477 6.705 5.771 1.00 0.00 H new ATOM 766 N PHE A 74 5.237 6.936 3.298 1.00 0.00 N ATOM 767 CA PHE A 74 6.091 7.923 2.610 1.00 0.00 C ATOM 768 C PHE A 74 6.329 9.195 3.460 1.00 0.00 C ATOM 769 O PHE A 74 5.476 9.549 4.273 1.00 0.00 O ATOM 770 CB PHE A 74 5.471 8.396 1.269 1.00 0.00 C ATOM 771 CG PHE A 74 6.509 8.661 0.196 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.313 7.606 -0.238 1.00 0.00 C ATOM 773 CD2 PHE A 74 6.778 9.961 -0.276 1.00 0.00 C ATOM 774 CE1 PHE A 74 8.358 7.819 -1.153 1.00 0.00 C ATOM 775 CE2 PHE A 74 7.818 10.187 -1.196 1.00 0.00 C ATOM 776 CZ PHE A 74 8.607 9.114 -1.638 1.00 0.00 C ATOM 0 H PHE A 74 4.526 7.378 3.881 1.00 0.00 H new ATOM 0 HA PHE A 74 7.032 7.401 2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.772 7.640 0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.895 9.305 1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.129 6.610 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.181 10.791 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.967 6.990 -1.482 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.009 11.185 -1.562 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.403 9.283 -2.348 1.00 0.00 H new ATOM 786 N PRO A 75 7.406 9.965 3.194 1.00 0.00 N ATOM 787 CA PRO A 75 7.595 11.315 3.738 1.00 0.00 C ATOM 788 C PRO A 75 6.648 12.403 3.175 1.00 0.00 C ATOM 789 O PRO A 75 6.807 13.564 3.550 1.00 0.00 O ATOM 790 CB PRO A 75 9.072 11.655 3.486 1.00 0.00 C ATOM 791 CG PRO A 75 9.456 10.781 2.304 1.00 0.00 C ATOM 792 CD PRO A 75 8.649 9.519 2.569 1.00 0.00 C ATOM 0 HA PRO A 75 7.335 11.310 4.796 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.205 12.713 3.259 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.686 11.437 4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.191 11.242 1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.527 10.582 2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.450 8.981 1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.193 8.837 3.223 1.00 0.00 H new ATOM 800 N SER A 76 5.665 12.071 2.317 1.00 0.00 N ATOM 801 CA SER A 76 4.672 13.013 1.768 1.00 0.00 C ATOM 802 C SER A 76 3.287 12.389 1.651 1.00 0.00 C ATOM 803 O SER A 76 3.122 11.365 0.987 1.00 0.00 O ATOM 804 CB SER A 76 5.012 13.423 0.333 1.00 0.00 C ATOM 805 OG SER A 76 6.246 14.094 0.223 1.00 0.00 O ATOM 0 H SER A 76 5.536 11.117 1.978 1.00 0.00 H new ATOM 0 HA SER A 76 4.687 13.855 2.460 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.033 12.533 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.221 14.067 -0.051 1.00 0.00 H new ATOM 0 HG SER A 76 6.232 14.678 -0.564 1.00 0.00 H new ATOM 811 N GLU A 77 2.262 13.068 2.171 1.00 0.00 N ATOM 812 CA GLU A 77 0.852 12.672 1.995 1.00 0.00 C ATOM 813 C GLU A 77 0.381 12.589 0.529 1.00 0.00 C ATOM 814 O GLU A 77 -0.659 12.000 0.252 1.00 0.00 O ATOM 815 CB GLU A 77 -0.079 13.568 2.813 1.00 0.00 C ATOM 816 CG GLU A 77 -0.054 15.051 2.425 1.00 0.00 C ATOM 817 CD GLU A 77 -0.606 15.906 3.573 1.00 0.00 C ATOM 818 OE1 GLU A 77 -1.817 15.829 3.888 1.00 0.00 O ATOM 819 OE2 GLU A 77 0.184 16.611 4.246 1.00 0.00 O ATOM 0 H GLU A 77 2.381 13.913 2.730 1.00 0.00 H new ATOM 0 HA GLU A 77 0.799 11.651 2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.099 13.198 2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.187 13.479 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.966 15.357 2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.648 15.209 1.525 1.00 0.00 H new ATOM 826 N GLU A 78 1.161 13.118 -0.407 1.00 0.00 N ATOM 827 CA GLU A 78 0.973 12.914 -1.848 1.00 0.00 C ATOM 828 C GLU A 78 0.755 11.424 -2.170 1.00 0.00 C ATOM 829 O GLU A 78 -0.240 11.058 -2.793 1.00 0.00 O ATOM 830 CB GLU A 78 2.213 13.443 -2.600 1.00 0.00 C ATOM 831 CG GLU A 78 2.484 14.943 -2.404 1.00 0.00 C ATOM 832 CD GLU A 78 3.821 15.350 -3.050 1.00 0.00 C ATOM 833 OE1 GLU A 78 3.844 15.659 -4.265 1.00 0.00 O ATOM 834 OE2 GLU A 78 4.862 15.372 -2.352 1.00 0.00 O ATOM 0 H GLU A 78 1.959 13.713 -0.186 1.00 0.00 H new ATOM 0 HA GLU A 78 0.086 13.460 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.088 12.882 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.089 13.245 -3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.672 15.523 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.504 15.177 -1.340 1.00 0.00 H new ATOM 841 N ILE A 79 1.654 10.562 -1.673 1.00 0.00 N ATOM 842 CA ILE A 79 1.705 9.115 -1.976 1.00 0.00 C ATOM 843 C ILE A 79 0.612 8.350 -1.199 1.00 0.00 C ATOM 844 O ILE A 79 0.041 7.372 -1.699 1.00 0.00 O ATOM 845 CB ILE A 79 3.135 8.587 -1.696 1.00 0.00 C ATOM 846 CG1 ILE A 79 4.171 9.488 -2.418 1.00 0.00 C ATOM 847 CG2 ILE A 79 3.296 7.090 -2.022 1.00 0.00 C ATOM 848 CD1 ILE A 79 5.317 8.816 -3.191 1.00 0.00 C ATOM 0 H ILE A 79 2.389 10.856 -1.030 1.00 0.00 H new ATOM 0 HA ILE A 79 1.491 8.946 -3.031 1.00 0.00 H new ATOM 0 HB ILE A 79 3.323 8.650 -0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.627 10.123 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.616 10.145 -1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.318 6.778 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.603 6.509 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.081 6.922 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.953 9.581 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.908 8.206 -2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.904 8.184 -3.977 1.00 0.00 H new ATOM 860 N LEU A 80 0.254 8.863 -0.014 1.00 0.00 N ATOM 861 CA LEU A 80 -0.892 8.405 0.761 1.00 0.00 C ATOM 862 C LEU A 80 -2.187 8.540 -0.048 1.00 0.00 C ATOM 863 O LEU A 80 -2.904 7.564 -0.262 1.00 0.00 O ATOM 864 CB LEU A 80 -0.953 9.216 2.084 1.00 0.00 C ATOM 865 CG LEU A 80 -2.321 9.440 2.769 1.00 0.00 C ATOM 866 CD1 LEU A 80 -3.036 8.184 3.232 1.00 0.00 C ATOM 867 CD2 LEU A 80 -2.174 10.276 4.040 1.00 0.00 C ATOM 0 H LEU A 80 0.767 9.622 0.435 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.780 7.347 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.303 8.719 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.520 10.197 1.888 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.900 9.923 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.983 8.455 3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.225 7.536 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.414 7.657 3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.153 10.416 4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.516 9.761 4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.748 11.248 3.789 1.00 0.00 H new ATOM 879 N VAL A 81 -2.467 9.760 -0.513 1.00 0.00 N ATOM 880 CA VAL A 81 -3.727 10.120 -1.192 1.00 0.00 C ATOM 881 C VAL A 81 -3.823 9.428 -2.527 1.00 0.00 C ATOM 882 O VAL A 81 -4.886 8.926 -2.889 1.00 0.00 O ATOM 883 CB VAL A 81 -3.838 11.648 -1.369 1.00 0.00 C ATOM 884 CG1 VAL A 81 -5.058 12.080 -2.194 1.00 0.00 C ATOM 885 CG2 VAL A 81 -3.947 12.356 -0.017 1.00 0.00 C ATOM 0 H VAL A 81 -1.818 10.542 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.556 9.788 -0.567 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.928 11.931 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.074 13.167 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.999 11.639 -3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.969 11.741 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.024 13.432 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.834 12.002 0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.061 12.139 0.580 1.00 0.00 H new ATOM 895 N GLU A 82 -2.683 9.333 -3.197 1.00 0.00 N ATOM 896 CA GLU A 82 -2.486 8.512 -4.354 1.00 0.00 C ATOM 897 C GLU A 82 -3.029 7.102 -4.100 1.00 0.00 C ATOM 898 O GLU A 82 -4.085 6.791 -4.621 1.00 0.00 O ATOM 899 CB GLU A 82 -0.982 8.509 -4.581 1.00 0.00 C ATOM 900 CG GLU A 82 -0.446 9.474 -5.634 1.00 0.00 C ATOM 901 CD GLU A 82 -0.907 9.189 -7.068 1.00 0.00 C ATOM 902 OE1 GLU A 82 -2.014 9.625 -7.454 1.00 0.00 O ATOM 903 OE2 GLU A 82 -0.160 8.544 -7.833 1.00 0.00 O ATOM 0 H GLU A 82 -1.846 9.851 -2.929 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.015 8.884 -5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.494 8.735 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.682 7.499 -4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.749 10.486 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.643 9.449 -5.607 1.00 0.00 H new ATOM 910 N ALA A 83 -2.409 6.293 -3.226 1.00 0.00 N ATOM 911 CA ALA A 83 -2.877 4.926 -2.895 1.00 0.00 C ATOM 912 C ALA A 83 -4.366 4.869 -2.511 1.00 0.00 C ATOM 913 O ALA A 83 -5.086 4.009 -3.009 1.00 0.00 O ATOM 914 CB ALA A 83 -2.042 4.409 -1.719 1.00 0.00 C ATOM 0 H ALA A 83 -1.564 6.565 -2.723 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.757 4.311 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.368 3.403 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.990 4.387 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.174 5.069 -0.861 1.00 0.00 H new ATOM 920 N LEU A 84 -4.849 5.809 -1.696 1.00 0.00 N ATOM 921 CA LEU A 84 -6.261 5.902 -1.271 1.00 0.00 C ATOM 922 C LEU A 84 -7.197 6.159 -2.455 1.00 0.00 C ATOM 923 O LEU A 84 -8.392 5.879 -2.367 1.00 0.00 O ATOM 924 CB LEU A 84 -6.488 7.017 -0.227 1.00 0.00 C ATOM 925 CG LEU A 84 -5.773 6.953 1.124 1.00 0.00 C ATOM 926 CD1 LEU A 84 -6.717 7.397 2.230 1.00 0.00 C ATOM 927 CD2 LEU A 84 -5.245 5.572 1.456 1.00 0.00 C ATOM 0 H LEU A 84 -4.264 6.545 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.491 4.936 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.213 7.962 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.558 7.061 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.916 7.622 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.202 7.349 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.041 8.421 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.586 6.740 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.749 5.596 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.073 4.864 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.532 5.262 0.692 1.00 0.00 H new ATOM 939 N GLU A 85 -6.653 6.651 -3.567 1.00 0.00 N ATOM 940 CA GLU A 85 -7.353 6.813 -4.830 1.00 0.00 C ATOM 941 C GLU A 85 -6.840 5.922 -5.986 1.00 0.00 C ATOM 942 O GLU A 85 -7.382 5.989 -7.094 1.00 0.00 O ATOM 943 CB GLU A 85 -7.349 8.299 -5.226 1.00 0.00 C ATOM 944 CG GLU A 85 -8.193 9.166 -4.279 1.00 0.00 C ATOM 945 CD GLU A 85 -8.336 10.613 -4.795 1.00 0.00 C ATOM 946 OE1 GLU A 85 -8.892 10.821 -5.903 1.00 0.00 O ATOM 947 OE2 GLU A 85 -7.937 11.566 -4.083 1.00 0.00 O ATOM 0 H GLU A 85 -5.681 6.956 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.372 6.465 -4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.323 8.667 -5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.730 8.401 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.182 8.722 -4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.733 9.177 -3.291 1.00 0.00 H new ATOM 954 N ARG A 86 -5.839 5.055 -5.758 1.00 0.00 N ATOM 955 CA ARG A 86 -5.185 4.221 -6.775 1.00 0.00 C ATOM 956 C ARG A 86 -5.447 2.744 -6.508 1.00 0.00 C ATOM 957 O ARG A 86 -5.627 1.985 -7.454 1.00 0.00 O ATOM 958 CB ARG A 86 -3.670 4.530 -6.784 1.00 0.00 C ATOM 959 CG ARG A 86 -3.140 5.208 -8.043 1.00 0.00 C ATOM 960 CD ARG A 86 -3.697 6.637 -8.184 1.00 0.00 C ATOM 961 NE ARG A 86 -2.841 7.479 -9.034 1.00 0.00 N ATOM 962 CZ ARG A 86 -2.163 7.111 -10.104 1.00 0.00 C ATOM 963 NH1 ARG A 86 -2.584 6.209 -10.944 1.00 0.00 N ATOM 964 NH2 ARG A 86 -0.993 7.626 -10.298 1.00 0.00 N ATOM 0 H ARG A 86 -5.451 4.912 -4.826 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.598 4.451 -7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.443 5.166 -5.928 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.127 3.596 -6.641 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.051 5.241 -8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.415 4.620 -8.919 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.700 6.595 -8.608 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.787 7.091 -7.197 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.763 8.460 -8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.481 5.748 -10.790 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.017 5.964 -11.756 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.615 8.300 -9.632 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.448 7.359 -11.117 1.00 0.00 H new ATOM 978 N LEU A 87 -5.516 2.353 -5.227 1.00 0.00 N ATOM 979 CA LEU A 87 -5.660 0.992 -4.763 1.00 0.00 C ATOM 980 C LEU A 87 -6.906 0.754 -3.875 1.00 0.00 C ATOM 981 O LEU A 87 -7.075 -0.329 -3.318 1.00 0.00 O ATOM 982 CB LEU A 87 -4.370 0.558 -4.043 1.00 0.00 C ATOM 983 CG LEU A 87 -3.167 0.237 -4.916 1.00 0.00 C ATOM 984 CD1 LEU A 87 -2.525 1.415 -5.590 1.00 0.00 C ATOM 985 CD2 LEU A 87 -2.098 -0.507 -4.124 1.00 0.00 C ATOM 0 H LEU A 87 -5.469 3.022 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.823 0.372 -5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.085 1.351 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.597 -0.323 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.582 -0.387 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.678 1.076 -6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.252 1.905 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.177 2.121 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.249 -0.724 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.768 0.111 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.511 -1.441 -3.743 1.00 0.00 H new ATOM 997 N ASN A 88 -7.803 1.725 -3.702 1.00 0.00 N ATOM 998 CA ASN A 88 -9.013 1.516 -2.899 1.00 0.00 C ATOM 999 C ASN A 88 -9.992 0.507 -3.531 1.00 0.00 C ATOM 1000 O ASN A 88 -10.784 0.842 -4.416 1.00 0.00 O ATOM 1001 CB ASN A 88 -9.638 2.862 -2.523 1.00 0.00 C ATOM 1002 CG ASN A 88 -10.824 2.692 -1.585 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -11.980 2.757 -1.977 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -10.578 2.433 -0.322 1.00 0.00 N ATOM 0 H ASN A 88 -7.718 2.659 -4.103 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.726 1.034 -1.964 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.886 3.492 -2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.961 3.378 -3.427 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.350 2.287 0.328 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.615 2.378 0.009 1.00 0.00 H new ATOM 1011 N ASN A 89 -9.920 -0.731 -3.032 1.00 0.00 N ATOM 1012 CA ASN A 89 -10.762 -1.877 -3.370 1.00 0.00 C ATOM 1013 C ASN A 89 -10.537 -2.339 -4.832 1.00 0.00 C ATOM 1014 O ASN A 89 -11.424 -2.292 -5.682 1.00 0.00 O ATOM 1015 CB ASN A 89 -12.193 -1.625 -2.872 1.00 0.00 C ATOM 1016 CG ASN A 89 -13.051 -2.877 -2.922 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -13.916 -3.047 -3.769 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -12.840 -3.795 -2.008 1.00 0.00 N ATOM 0 H ASN A 89 -9.220 -0.973 -2.331 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.470 -2.779 -2.832 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.158 -1.252 -1.848 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -12.655 -0.847 -3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.397 -4.649 -2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.119 -3.654 -1.301 1.00 0.00 H new ATOM 1025 N ILE A 90 -9.293 -2.760 -5.091 1.00 0.00 N ATOM 1026 CA ILE A 90 -8.719 -3.138 -6.400 1.00 0.00 C ATOM 1027 C ILE A 90 -8.328 -4.605 -6.437 1.00 0.00 C ATOM 1028 O ILE A 90 -7.789 -5.152 -5.484 1.00 0.00 O ATOM 1029 CB ILE A 90 -7.481 -2.270 -6.726 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -6.385 -2.425 -5.653 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -7.923 -0.813 -6.929 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -5.076 -2.932 -6.235 1.00 0.00 C ATOM 0 H ILE A 90 -8.607 -2.854 -4.342 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.491 -2.966 -7.150 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.028 -2.614 -7.656 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.216 -1.464 -5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.729 -3.115 -4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.053 -0.198 -7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.633 -0.760 -7.754 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.396 -0.446 -6.018 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.336 -3.024 -5.440 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.236 -3.906 -6.697 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.716 -2.229 -6.986 1.00 0.00 H new ATOM 1044 N GLU A 91 -8.581 -5.250 -7.576 1.00 0.00 N ATOM 1045 CA GLU A 91 -8.157 -6.621 -7.805 1.00 0.00 C ATOM 1046 C GLU A 91 -6.638 -6.713 -8.015 1.00 0.00 C ATOM 1047 O GLU A 91 -6.041 -6.061 -8.874 1.00 0.00 O ATOM 1048 CB GLU A 91 -8.959 -7.194 -8.962 1.00 0.00 C ATOM 1049 CG GLU A 91 -8.708 -8.682 -9.217 1.00 0.00 C ATOM 1050 CD GLU A 91 -7.810 -8.940 -10.442 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -8.287 -8.825 -11.593 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -6.621 -9.280 -10.244 1.00 0.00 O ATOM 0 H GLU A 91 -9.084 -4.834 -8.360 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.359 -7.226 -6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.020 -7.044 -8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.721 -6.636 -9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.245 -9.123 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.663 -9.186 -9.361 1.00 0.00 H new ATOM 1059 N PHE A 92 -6.044 -7.551 -7.179 1.00 0.00 N ATOM 1060 CA PHE A 92 -4.627 -7.871 -7.088 1.00 0.00 C ATOM 1061 C PHE A 92 -4.342 -9.319 -7.503 1.00 0.00 C ATOM 1062 O PHE A 92 -4.494 -10.227 -6.688 1.00 0.00 O ATOM 1063 CB PHE A 92 -4.194 -7.709 -5.622 1.00 0.00 C ATOM 1064 CG PHE A 92 -2.712 -7.904 -5.299 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -1.747 -8.138 -6.306 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -2.302 -7.925 -3.950 1.00 0.00 C ATOM 1067 CE1 PHE A 92 -0.406 -8.373 -5.984 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -0.954 -8.157 -3.621 1.00 0.00 C ATOM 1069 CZ PHE A 92 -0.010 -8.366 -4.643 1.00 0.00 C ATOM 0 H PHE A 92 -6.587 -8.069 -6.488 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.082 -7.204 -7.756 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.481 -6.710 -5.295 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.765 -8.417 -5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.051 -8.135 -7.342 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.026 -7.762 -3.166 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.317 -8.558 -6.764 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.645 -8.175 -2.586 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.028 -8.522 -4.390 1.00 0.00 H new ATOM 1079 N ARG A 93 -3.864 -9.554 -8.731 1.00 0.00 N ATOM 1080 CA ARG A 93 -3.473 -10.880 -9.265 1.00 0.00 C ATOM 1081 C ARG A 93 -4.484 -12.030 -9.043 1.00 0.00 C ATOM 1082 O ARG A 93 -4.105 -13.203 -9.072 1.00 0.00 O ATOM 1083 CB ARG A 93 -2.030 -11.235 -8.825 1.00 0.00 C ATOM 1084 CG ARG A 93 -1.857 -11.551 -7.340 1.00 0.00 C ATOM 1085 CD ARG A 93 -0.437 -11.987 -6.954 1.00 0.00 C ATOM 1086 NE ARG A 93 -0.127 -11.889 -5.506 1.00 0.00 N ATOM 1087 CZ ARG A 93 -0.903 -11.904 -4.434 1.00 0.00 C ATOM 1088 NH1 ARG A 93 -2.197 -12.008 -4.440 1.00 0.00 N ATOM 1089 NH2 ARG A 93 -0.349 -11.813 -3.270 1.00 0.00 N ATOM 0 H ARG A 93 -3.731 -8.805 -9.410 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.492 -10.773 -10.350 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.693 -12.095 -9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.375 -10.402 -9.081 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.126 -10.669 -6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.556 -12.341 -7.064 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.289 -13.019 -7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.278 -11.377 -7.506 1.00 0.00 H new ATOM 0 HE ARG A 93 0.867 -11.792 -5.299 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.698 -12.087 -5.325 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.713 -12.011 -3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.665 -11.732 -3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.926 -11.822 -2.429 1.00 0.00 H new ATOM 1103 N GLY A 94 -5.754 -11.706 -8.788 1.00 0.00 N ATOM 1104 CA GLY A 94 -6.828 -12.644 -8.425 1.00 0.00 C ATOM 1105 C GLY A 94 -7.351 -12.543 -6.982 1.00 0.00 C ATOM 1106 O GLY A 94 -8.339 -13.210 -6.661 1.00 0.00 O ATOM 0 H GLY A 94 -6.080 -10.740 -8.830 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.665 -12.488 -9.106 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.468 -13.659 -8.590 1.00 0.00 H new ATOM 1110 N SER A 95 -6.744 -11.730 -6.111 1.00 0.00 N ATOM 1111 CA SER A 95 -7.267 -11.339 -4.812 1.00 0.00 C ATOM 1112 C SER A 95 -7.787 -9.919 -5.015 1.00 0.00 C ATOM 1113 O SER A 95 -7.770 -9.400 -6.123 1.00 0.00 O ATOM 1114 CB SER A 95 -6.112 -11.362 -3.799 1.00 0.00 C ATOM 1115 OG SER A 95 -5.779 -12.711 -3.526 1.00 0.00 O ATOM 0 H SER A 95 -5.835 -11.312 -6.308 1.00 0.00 H new ATOM 0 HA SER A 95 -8.051 -11.997 -4.438 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.247 -10.832 -4.199 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.403 -10.851 -2.881 1.00 0.00 H new ATOM 0 HG SER A 95 -5.063 -12.742 -2.858 1.00 0.00 H new ATOM 1121 N VAL A 96 -8.230 -9.224 -3.987 1.00 0.00 N ATOM 1122 CA VAL A 96 -8.492 -7.773 -4.073 1.00 0.00 C ATOM 1123 C VAL A 96 -8.060 -7.184 -2.734 1.00 0.00 C ATOM 1124 O VAL A 96 -8.171 -7.870 -1.720 1.00 0.00 O ATOM 1125 CB VAL A 96 -9.935 -7.381 -4.515 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -10.838 -8.571 -4.810 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -10.683 -6.358 -3.655 1.00 0.00 C ATOM 0 H VAL A 96 -8.422 -9.629 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.911 -7.342 -4.889 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.712 -6.859 -5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.823 -8.214 -5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.406 -9.165 -5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.932 -9.187 -3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.672 -6.180 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.787 -6.742 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.124 -5.423 -3.634 1.00 0.00 H new ATOM 1137 N ILE A 97 -7.594 -5.939 -2.720 1.00 0.00 N ATOM 1138 CA ILE A 97 -7.212 -5.195 -1.511 1.00 0.00 C ATOM 1139 C ILE A 97 -7.946 -3.857 -1.449 1.00 0.00 C ATOM 1140 O ILE A 97 -8.105 -3.171 -2.457 1.00 0.00 O ATOM 1141 CB ILE A 97 -5.688 -4.963 -1.396 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -5.041 -4.540 -2.727 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -4.972 -6.181 -0.800 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -3.566 -4.143 -2.616 1.00 0.00 C ATOM 0 H ILE A 97 -7.465 -5.397 -3.575 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.505 -5.817 -0.665 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.565 -4.126 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.131 -5.361 -3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.601 -3.700 -3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.903 -5.979 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.364 -6.382 0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.139 -7.049 -1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.191 -3.860 -3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.467 -3.300 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.990 -4.987 -2.237 1.00 0.00 H new ATOM 1156 N THR A 98 -8.350 -3.480 -0.245 1.00 0.00 N ATOM 1157 CA THR A 98 -8.924 -2.180 0.111 1.00 0.00 C ATOM 1158 C THR A 98 -7.870 -1.421 0.902 1.00 0.00 C ATOM 1159 O THR A 98 -7.091 -2.038 1.636 1.00 0.00 O ATOM 1160 CB THR A 98 -10.162 -2.375 0.987 1.00 0.00 C ATOM 1161 OG1 THR A 98 -11.088 -3.238 0.352 1.00 0.00 O ATOM 1162 CG2 THR A 98 -10.914 -1.086 1.300 1.00 0.00 C ATOM 0 H THR A 98 -8.285 -4.105 0.559 1.00 0.00 H new ATOM 0 HA THR A 98 -9.215 -1.635 -0.787 1.00 0.00 H new ATOM 0 HB THR A 98 -9.777 -2.790 1.918 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.874 -3.354 0.926 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.778 -1.311 1.925 1.00 0.00 H new ATOM 0 HG22 THR A 98 -10.253 -0.398 1.828 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.249 -0.625 0.371 1.00 0.00 H new ATOM 1170 N VAL A 99 -7.805 -0.099 0.752 1.00 0.00 N ATOM 1171 CA VAL A 99 -6.692 0.699 1.292 1.00 0.00 C ATOM 1172 C VAL A 99 -7.164 1.998 1.910 1.00 0.00 C ATOM 1173 O VAL A 99 -8.137 2.609 1.460 1.00 0.00 O ATOM 1174 CB VAL A 99 -5.587 0.961 0.254 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -5.224 -0.313 -0.495 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -6.001 2.013 -0.746 1.00 0.00 C ATOM 0 H VAL A 99 -8.510 0.449 0.260 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.255 0.091 2.084 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.718 1.319 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.441 -0.097 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.867 -1.062 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.104 -0.694 -1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.195 2.171 -1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.896 1.682 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.211 2.947 -0.225 1.00 0.00 H new ATOM 1186 N GLU A 100 -6.453 2.408 2.956 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.823 3.544 3.802 1.00 0.00 C ATOM 1188 C GLU A 100 -5.688 3.984 4.721 1.00 0.00 C ATOM 1189 O GLU A 100 -4.796 3.213 5.058 1.00 0.00 O ATOM 1190 CB GLU A 100 -8.026 3.150 4.696 1.00 0.00 C ATOM 1191 CG GLU A 100 -7.846 1.939 5.626 1.00 0.00 C ATOM 1192 CD GLU A 100 -7.960 0.577 4.928 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -9.073 0.203 4.481 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -6.976 -0.193 4.923 1.00 0.00 O ATOM 0 H GLU A 100 -5.587 1.954 3.247 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.068 4.369 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.286 4.012 5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.879 2.953 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.869 2.007 6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.593 1.991 6.418 1.00 0.00 H new ATOM 1201 N ARG A 101 -5.760 5.232 5.183 1.00 0.00 N ATOM 1202 CA ARG A 101 -4.925 5.781 6.254 1.00 0.00 C ATOM 1203 C ARG A 101 -5.054 4.971 7.557 1.00 0.00 C ATOM 1204 O ARG A 101 -6.148 4.527 7.915 1.00 0.00 O ATOM 1205 CB ARG A 101 -5.319 7.255 6.421 1.00 0.00 C ATOM 1206 CG ARG A 101 -6.771 7.463 6.904 1.00 0.00 C ATOM 1207 CD ARG A 101 -7.383 8.794 6.433 1.00 0.00 C ATOM 1208 NE ARG A 101 -7.166 9.856 7.425 1.00 0.00 N ATOM 1209 CZ ARG A 101 -8.006 10.781 7.846 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -9.180 10.968 7.305 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -7.665 11.541 8.842 1.00 0.00 N ATOM 0 H ARG A 101 -6.423 5.912 4.811 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.869 5.712 5.994 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.639 7.724 7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -5.187 7.767 5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -7.388 6.640 6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.793 7.426 7.993 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.939 9.085 5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -8.452 8.666 6.261 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.237 9.881 7.846 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -9.480 10.386 6.523 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -9.797 11.696 7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -6.756 11.419 9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.306 12.260 9.177 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.947 4.804 8.281 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.835 3.924 9.461 1.00 0.00 C ATOM 1227 C ASP A 102 -3.323 4.633 10.735 1.00 0.00 C ATOM 1228 O ASP A 102 -3.639 4.199 11.841 1.00 0.00 O ATOM 1229 CB ASP A 102 -2.914 2.751 9.105 1.00 0.00 C ATOM 1230 CG ASP A 102 -2.894 1.648 10.179 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -3.870 0.867 10.293 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -1.860 1.494 10.865 1.00 0.00 O ATOM 0 H ASP A 102 -3.076 5.287 8.063 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.841 3.583 9.704 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -3.235 2.320 8.157 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.901 3.125 8.958 1.00 0.00 H new ATOM 1237 N ASP A 103 -2.591 5.745 10.594 1.00 0.00 N ATOM 1238 CA ASP A 103 -2.041 6.535 11.713 1.00 0.00 C ATOM 1239 C ASP A 103 -2.270 8.063 11.599 1.00 0.00 C ATOM 1240 O ASP A 103 -1.874 8.814 12.493 1.00 0.00 O ATOM 1241 CB ASP A 103 -0.544 6.203 11.893 1.00 0.00 C ATOM 1242 CG ASP A 103 0.386 6.848 10.854 1.00 0.00 C ATOM 1243 OD1 ASP A 103 -0.105 7.378 9.835 1.00 0.00 O ATOM 1244 OD2 ASP A 103 1.625 6.814 11.060 1.00 0.00 O ATOM 0 H ASP A 103 -2.357 6.133 9.680 1.00 0.00 H new ATOM 0 HA ASP A 103 -2.599 6.242 12.602 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.232 6.522 12.887 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.418 5.121 11.851 1.00 0.00 H new ATOM 1249 N ASN A 104 -2.908 8.524 10.511 1.00 0.00 N ATOM 1250 CA ASN A 104 -3.085 9.940 10.155 1.00 0.00 C ATOM 1251 C ASN A 104 -4.430 10.192 9.461 1.00 0.00 C ATOM 1252 O ASN A 104 -5.373 10.667 10.129 1.00 0.00 O ATOM 1253 CB ASN A 104 -1.868 10.388 9.301 1.00 0.00 C ATOM 1254 CG ASN A 104 -1.971 11.811 8.769 1.00 0.00 C ATOM 1255 OD1 ASN A 104 -1.385 12.751 9.290 1.00 0.00 O ATOM 1256 ND2 ASN A 104 -2.724 12.009 7.720 1.00 0.00 N ATOM 0 H ASN A 104 -3.331 7.895 9.829 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.118 10.547 11.060 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -0.964 10.301 9.903 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.757 9.704 8.459 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.824 12.948 7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.212 11.225 7.287 1.00 0.00 H new TER 1263 ASN A 104