USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 524 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 13 THR OG1 : rot -18:sc= 0.618 USER MOD Set 1.2: A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 79:sc= 0.578 USER MOD Single : A 24 SER OG : rot 54:sc= 1.19 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 64:sc= 0.691 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 35 ASN : amide:sc= -4.45! C(o=-4.5!,f=-4.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0.916 (180deg=0.746) USER MOD Single : A 40 THR OG1 : rot -170:sc= -1.11 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0629) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -54:sc= 0.957 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -74:sc= 0.213 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 112:sc= 0.0256 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -35:sc= 1.27 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 70 GLN : amide:sc= -3.72! K(o=-3.7!,f=-1) USER MOD Single : A 73 SER OG : rot -30:sc= 0.186 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 105.976 5.086 21.527 1.00 0.00 N ATOM 2 CA THR A 13 104.582 5.539 21.283 1.00 0.00 C ATOM 3 C THR A 13 103.589 4.399 21.477 1.00 0.00 C ATOM 4 O THR A 13 103.964 3.292 21.863 1.00 0.00 O ATOM 5 CB THR A 13 104.489 6.084 19.855 1.00 0.00 C ATOM 6 OG1 THR A 13 105.364 5.381 18.990 1.00 0.00 O ATOM 7 CG2 THR A 13 104.827 7.555 19.755 1.00 0.00 C ATOM 0 HA THR A 13 104.329 6.319 22.001 1.00 0.00 H new ATOM 0 HB THR A 13 103.449 5.945 19.560 1.00 0.00 H new ATOM 0 HG1 THR A 13 106.042 4.913 19.521 1.00 0.00 H new ATOM 0 HG21 THR A 13 104.742 7.878 18.717 1.00 0.00 H new ATOM 0 HG22 THR A 13 104.136 8.130 20.372 1.00 0.00 H new ATOM 0 HG23 THR A 13 105.847 7.719 20.103 1.00 0.00 H new ATOM 15 N PHE A 14 102.319 4.679 21.207 1.00 0.00 N ATOM 16 CA PHE A 14 101.264 3.683 21.347 1.00 0.00 C ATOM 17 C PHE A 14 100.014 4.121 20.594 1.00 0.00 C ATOM 18 O PHE A 14 99.434 3.350 19.828 1.00 0.00 O ATOM 19 CB PHE A 14 100.939 3.455 22.825 1.00 0.00 C ATOM 20 CG PHE A 14 100.816 2.003 23.187 1.00 0.00 C ATOM 21 CD1 PHE A 14 101.938 1.192 23.243 1.00 0.00 C ATOM 22 CD2 PHE A 14 99.577 1.446 23.459 1.00 0.00 C ATOM 23 CE1 PHE A 14 101.827 -0.147 23.562 1.00 0.00 C ATOM 24 CE2 PHE A 14 99.460 0.108 23.781 1.00 0.00 C ATOM 25 CZ PHE A 14 100.586 -0.691 23.832 1.00 0.00 C ATOM 0 H PHE A 14 101.994 5.592 20.888 1.00 0.00 H new ATOM 0 HA PHE A 14 101.617 2.745 20.918 1.00 0.00 H new ATOM 0 HB2 PHE A 14 101.718 3.910 23.436 1.00 0.00 H new ATOM 0 HB3 PHE A 14 100.006 3.964 23.068 1.00 0.00 H new ATOM 0 HD1 PHE A 14 102.911 1.612 23.035 1.00 0.00 H new ATOM 0 HD2 PHE A 14 98.693 2.065 23.419 1.00 0.00 H new ATOM 0 HE1 PHE A 14 102.709 -0.768 23.600 1.00 0.00 H new ATOM 0 HE2 PHE A 14 98.489 -0.314 23.993 1.00 0.00 H new ATOM 0 HZ PHE A 14 100.496 -1.738 24.082 1.00 0.00 H new ATOM 35 N LEU A 15 99.611 5.370 20.805 1.00 0.00 N ATOM 36 CA LEU A 15 98.435 5.917 20.138 1.00 0.00 C ATOM 37 C LEU A 15 98.629 5.928 18.622 1.00 0.00 C ATOM 38 O LEU A 15 97.663 6.014 17.863 1.00 0.00 O ATOM 39 CB LEU A 15 98.152 7.336 20.639 1.00 0.00 C ATOM 40 CG LEU A 15 98.162 7.502 22.160 1.00 0.00 C ATOM 41 CD1 LEU A 15 98.593 8.911 22.539 1.00 0.00 C ATOM 42 CD2 LEU A 15 96.792 7.183 22.743 1.00 0.00 C ATOM 0 H LEU A 15 100.081 6.022 21.432 1.00 0.00 H new ATOM 0 HA LEU A 15 97.582 5.280 20.374 1.00 0.00 H new ATOM 0 HB2 LEU A 15 98.894 8.010 20.211 1.00 0.00 H new ATOM 0 HB3 LEU A 15 97.179 7.651 20.261 1.00 0.00 H new ATOM 0 HG LEU A 15 98.882 6.799 22.579 1.00 0.00 H new ATOM 0 HD11 LEU A 15 98.594 9.011 23.624 1.00 0.00 H new ATOM 0 HD12 LEU A 15 99.596 9.100 22.156 1.00 0.00 H new ATOM 0 HD13 LEU A 15 97.898 9.632 22.109 1.00 0.00 H new ATOM 0 HD21 LEU A 15 96.819 7.307 23.826 1.00 0.00 H new ATOM 0 HD22 LEU A 15 96.050 7.859 22.319 1.00 0.00 H new ATOM 0 HD23 LEU A 15 96.525 6.154 22.502 1.00 0.00 H new ATOM 54 N THR A 16 99.886 5.832 18.189 1.00 0.00 N ATOM 55 CA THR A 16 100.219 5.826 16.767 1.00 0.00 C ATOM 56 C THR A 16 99.376 4.807 16.002 1.00 0.00 C ATOM 57 O THR A 16 99.165 4.947 14.797 1.00 0.00 O ATOM 58 CB THR A 16 101.706 5.519 16.577 1.00 0.00 C ATOM 59 OG1 THR A 16 102.506 6.508 17.200 1.00 0.00 O ATOM 60 CG2 THR A 16 102.125 5.440 15.124 1.00 0.00 C ATOM 0 H THR A 16 100.694 5.757 18.808 1.00 0.00 H new ATOM 0 HA THR A 16 99.999 6.816 16.367 1.00 0.00 H new ATOM 0 HB THR A 16 101.856 4.541 17.034 1.00 0.00 H new ATOM 0 HG1 THR A 16 103.453 6.293 17.069 1.00 0.00 H new ATOM 0 HG21 THR A 16 103.191 5.220 15.064 1.00 0.00 H new ATOM 0 HG22 THR A 16 101.563 4.650 14.626 1.00 0.00 H new ATOM 0 HG23 THR A 16 101.924 6.393 14.635 1.00 0.00 H new ATOM 68 N GLN A 17 98.902 3.780 16.705 1.00 0.00 N ATOM 69 CA GLN A 17 98.084 2.740 16.086 1.00 0.00 C ATOM 70 C GLN A 17 97.007 3.350 15.196 1.00 0.00 C ATOM 71 O GLN A 17 96.775 2.888 14.080 1.00 0.00 O ATOM 72 CB GLN A 17 97.436 1.865 17.161 1.00 0.00 C ATOM 73 CG GLN A 17 97.108 0.459 16.687 1.00 0.00 C ATOM 74 CD GLN A 17 95.616 0.224 16.546 1.00 0.00 C ATOM 75 OE1 GLN A 17 94.917 -0.016 17.530 1.00 0.00 O ATOM 76 NE2 GLN A 17 95.121 0.292 15.316 1.00 0.00 N ATOM 0 H GLN A 17 99.070 3.646 17.702 1.00 0.00 H new ATOM 0 HA GLN A 17 98.735 2.123 15.466 1.00 0.00 H new ATOM 0 HB2 GLN A 17 98.106 1.803 18.019 1.00 0.00 H new ATOM 0 HB3 GLN A 17 96.520 2.346 17.505 1.00 0.00 H new ATOM 0 HG2 GLN A 17 97.592 0.281 15.727 1.00 0.00 H new ATOM 0 HG3 GLN A 17 97.521 -0.263 17.391 1.00 0.00 H new ATOM 0 HE21 GLN A 17 95.737 0.494 14.529 1.00 0.00 H new ATOM 0 HE22 GLN A 17 94.124 0.143 15.158 1.00 0.00 H new ATOM 85 N VAL A 18 96.357 4.397 15.698 1.00 0.00 N ATOM 86 CA VAL A 18 95.305 5.080 14.951 1.00 0.00 C ATOM 87 C VAL A 18 95.866 5.774 13.715 1.00 0.00 C ATOM 88 O VAL A 18 95.225 5.810 12.666 1.00 0.00 O ATOM 89 CB VAL A 18 94.589 6.125 15.827 1.00 0.00 C ATOM 90 CG1 VAL A 18 93.384 6.704 15.098 1.00 0.00 C ATOM 91 CG2 VAL A 18 94.180 5.514 17.161 1.00 0.00 C ATOM 0 H VAL A 18 96.541 4.791 16.621 1.00 0.00 H new ATOM 0 HA VAL A 18 94.590 4.317 14.642 1.00 0.00 H new ATOM 0 HB VAL A 18 95.283 6.941 16.027 1.00 0.00 H new ATOM 0 HG11 VAL A 18 92.893 7.440 15.735 1.00 0.00 H new ATOM 0 HG12 VAL A 18 93.712 7.183 14.176 1.00 0.00 H new ATOM 0 HG13 VAL A 18 92.683 5.904 14.861 1.00 0.00 H new ATOM 0 HG21 VAL A 18 93.676 6.267 17.767 1.00 0.00 H new ATOM 0 HG22 VAL A 18 93.504 4.677 16.986 1.00 0.00 H new ATOM 0 HG23 VAL A 18 95.067 5.160 17.686 1.00 0.00 H new ATOM 101 N LYS A 19 97.070 6.320 13.848 1.00 0.00 N ATOM 102 CA LYS A 19 97.724 7.012 12.745 1.00 0.00 C ATOM 103 C LYS A 19 97.968 6.054 11.593 1.00 0.00 C ATOM 104 O LYS A 19 97.468 6.251 10.486 1.00 0.00 O ATOM 105 CB LYS A 19 99.053 7.596 13.209 1.00 0.00 C ATOM 106 CG LYS A 19 99.363 8.959 12.614 1.00 0.00 C ATOM 107 CD LYS A 19 98.627 10.068 13.348 1.00 0.00 C ATOM 108 CE LYS A 19 99.298 10.403 14.671 1.00 0.00 C ATOM 109 NZ LYS A 19 98.622 11.530 15.372 1.00 0.00 N ATOM 0 H LYS A 19 97.613 6.296 14.711 1.00 0.00 H new ATOM 0 HA LYS A 19 97.073 7.818 12.408 1.00 0.00 H new ATOM 0 HB2 LYS A 19 99.044 7.678 14.296 1.00 0.00 H new ATOM 0 HB3 LYS A 19 99.854 6.905 12.948 1.00 0.00 H new ATOM 0 HG2 LYS A 19 100.437 9.141 12.660 1.00 0.00 H new ATOM 0 HG3 LYS A 19 99.082 8.970 11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 19 98.591 10.959 12.721 1.00 0.00 H new ATOM 0 HD3 LYS A 19 97.596 9.764 13.529 1.00 0.00 H new ATOM 0 HE2 LYS A 19 99.293 9.522 15.313 1.00 0.00 H new ATOM 0 HE3 LYS A 19 100.342 10.661 14.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 99.112 11.725 16.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 98.649 12.379 14.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 97.633 11.275 15.566 1.00 0.00 H new ATOM 123 N GLU A 20 98.734 5.007 11.872 1.00 0.00 N ATOM 124 CA GLU A 20 99.039 4.000 10.866 1.00 0.00 C ATOM 125 C GLU A 20 97.749 3.399 10.320 1.00 0.00 C ATOM 126 O GLU A 20 97.725 2.844 9.222 1.00 0.00 O ATOM 127 CB GLU A 20 99.922 2.900 11.460 1.00 0.00 C ATOM 128 CG GLU A 20 101.295 3.391 11.892 1.00 0.00 C ATOM 129 CD GLU A 20 102.421 2.735 11.118 1.00 0.00 C ATOM 130 OE1 GLU A 20 102.543 3.007 9.905 1.00 0.00 O ATOM 131 OE2 GLU A 20 103.180 1.951 11.723 1.00 0.00 O ATOM 0 H GLU A 20 99.154 4.834 12.785 1.00 0.00 H new ATOM 0 HA GLU A 20 99.581 4.477 10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 20 99.414 2.462 12.320 1.00 0.00 H new ATOM 0 HB3 GLU A 20 100.044 2.106 10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 20 101.349 4.471 11.758 1.00 0.00 H new ATOM 0 HG3 GLU A 20 101.428 3.195 12.956 1.00 0.00 H new ATOM 138 N SER A 21 96.675 3.527 11.095 1.00 0.00 N ATOM 139 CA SER A 21 95.376 3.013 10.699 1.00 0.00 C ATOM 140 C SER A 21 94.739 3.916 9.651 1.00 0.00 C ATOM 141 O SER A 21 94.397 3.472 8.555 1.00 0.00 O ATOM 142 CB SER A 21 94.480 2.922 11.927 1.00 0.00 C ATOM 143 OG SER A 21 93.899 1.635 12.047 1.00 0.00 O ATOM 0 H SER A 21 96.684 3.986 12.006 1.00 0.00 H new ATOM 0 HA SER A 21 95.501 2.022 10.262 1.00 0.00 H new ATOM 0 HB2 SER A 21 95.062 3.145 12.821 1.00 0.00 H new ATOM 0 HB3 SER A 21 93.693 3.674 11.862 1.00 0.00 H new ATOM 0 HG SER A 21 93.331 1.606 12.845 1.00 0.00 H new ATOM 149 N LEU A 22 94.588 5.191 9.996 1.00 0.00 N ATOM 150 CA LEU A 22 94.001 6.161 9.084 1.00 0.00 C ATOM 151 C LEU A 22 94.870 6.311 7.844 1.00 0.00 C ATOM 152 O LEU A 22 94.368 6.516 6.740 1.00 0.00 O ATOM 153 CB LEU A 22 93.836 7.515 9.777 1.00 0.00 C ATOM 154 CG LEU A 22 93.151 7.463 11.143 1.00 0.00 C ATOM 155 CD1 LEU A 22 93.753 8.495 12.087 1.00 0.00 C ATOM 156 CD2 LEU A 22 91.653 7.683 10.992 1.00 0.00 C ATOM 0 H LEU A 22 94.864 5.574 10.900 1.00 0.00 H new ATOM 0 HA LEU A 22 93.017 5.801 8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 22 94.821 7.966 9.898 1.00 0.00 H new ATOM 0 HB3 LEU A 22 93.262 8.173 9.124 1.00 0.00 H new ATOM 0 HG LEU A 22 93.314 6.475 11.573 1.00 0.00 H new ATOM 0 HD11 LEU A 22 93.251 8.441 13.053 1.00 0.00 H new ATOM 0 HD12 LEU A 22 94.816 8.292 12.218 1.00 0.00 H new ATOM 0 HD13 LEU A 22 93.624 9.492 11.666 1.00 0.00 H new ATOM 0 HD21 LEU A 22 91.179 7.643 11.973 1.00 0.00 H new ATOM 0 HD22 LEU A 22 91.472 8.659 10.541 1.00 0.00 H new ATOM 0 HD23 LEU A 22 91.233 6.905 10.354 1.00 0.00 H new ATOM 168 N SER A 23 96.181 6.198 8.036 1.00 0.00 N ATOM 169 CA SER A 23 97.120 6.311 6.930 1.00 0.00 C ATOM 170 C SER A 23 96.925 5.160 5.954 1.00 0.00 C ATOM 171 O SER A 23 97.090 5.322 4.745 1.00 0.00 O ATOM 172 CB SER A 23 98.560 6.327 7.448 1.00 0.00 C ATOM 173 OG SER A 23 98.803 7.475 8.243 1.00 0.00 O ATOM 0 H SER A 23 96.614 6.029 8.944 1.00 0.00 H new ATOM 0 HA SER A 23 96.929 7.249 6.409 1.00 0.00 H new ATOM 0 HB2 SER A 23 98.749 5.428 8.035 1.00 0.00 H new ATOM 0 HB3 SER A 23 99.253 6.310 6.607 1.00 0.00 H new ATOM 0 HG SER A 23 98.428 7.339 9.138 1.00 0.00 H new ATOM 178 N SER A 24 96.558 4.001 6.486 1.00 0.00 N ATOM 179 CA SER A 24 96.322 2.828 5.659 1.00 0.00 C ATOM 180 C SER A 24 95.135 3.067 4.739 1.00 0.00 C ATOM 181 O SER A 24 95.128 2.634 3.587 1.00 0.00 O ATOM 182 CB SER A 24 96.058 1.601 6.523 1.00 0.00 C ATOM 183 OG SER A 24 97.163 1.316 7.363 1.00 0.00 O ATOM 0 H SER A 24 96.418 3.850 7.485 1.00 0.00 H new ATOM 0 HA SER A 24 97.215 2.649 5.060 1.00 0.00 H new ATOM 0 HB2 SER A 24 95.169 1.766 7.131 1.00 0.00 H new ATOM 0 HB3 SER A 24 95.852 0.742 5.885 1.00 0.00 H new ATOM 0 HG SER A 24 97.396 2.115 7.880 1.00 0.00 H new ATOM 189 N TYR A 25 94.136 3.776 5.258 1.00 0.00 N ATOM 190 CA TYR A 25 92.948 4.096 4.498 1.00 0.00 C ATOM 191 C TYR A 25 93.332 4.861 3.240 1.00 0.00 C ATOM 192 O TYR A 25 92.744 4.679 2.175 1.00 0.00 O ATOM 193 CB TYR A 25 92.023 4.932 5.373 1.00 0.00 C ATOM 194 CG TYR A 25 90.580 4.482 5.349 1.00 0.00 C ATOM 195 CD1 TYR A 25 90.188 3.309 5.983 1.00 0.00 C ATOM 196 CD2 TYR A 25 89.612 5.227 4.690 1.00 0.00 C ATOM 197 CE1 TYR A 25 88.872 2.892 5.958 1.00 0.00 C ATOM 198 CE2 TYR A 25 88.293 4.817 4.663 1.00 0.00 C ATOM 199 CZ TYR A 25 87.928 3.649 5.297 1.00 0.00 C ATOM 200 OH TYR A 25 86.616 3.237 5.271 1.00 0.00 O ATOM 0 H TYR A 25 94.134 4.139 6.211 1.00 0.00 H new ATOM 0 HA TYR A 25 92.435 3.183 4.197 1.00 0.00 H new ATOM 0 HB2 TYR A 25 92.385 4.901 6.400 1.00 0.00 H new ATOM 0 HB3 TYR A 25 92.074 5.971 5.048 1.00 0.00 H new ATOM 0 HD1 TYR A 25 90.924 2.714 6.503 1.00 0.00 H new ATOM 0 HD2 TYR A 25 89.894 6.142 4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 25 88.583 1.977 6.454 1.00 0.00 H new ATOM 0 HE2 TYR A 25 87.551 5.409 4.147 1.00 0.00 H new ATOM 0 HH TYR A 25 86.080 3.883 4.765 1.00 0.00 H new ATOM 210 N TRP A 26 94.344 5.711 3.383 1.00 0.00 N ATOM 211 CA TRP A 26 94.844 6.514 2.275 1.00 0.00 C ATOM 212 C TRP A 26 96.013 5.817 1.583 1.00 0.00 C ATOM 213 O TRP A 26 96.366 6.159 0.454 1.00 0.00 O ATOM 214 CB TRP A 26 95.285 7.889 2.783 1.00 0.00 C ATOM 215 CG TRP A 26 94.168 8.885 2.835 1.00 0.00 C ATOM 216 CD1 TRP A 26 92.860 8.633 3.135 1.00 0.00 C ATOM 217 CD2 TRP A 26 94.256 10.290 2.572 1.00 0.00 C ATOM 218 NE1 TRP A 26 92.130 9.795 3.073 1.00 0.00 N ATOM 219 CE2 TRP A 26 92.965 10.826 2.731 1.00 0.00 C ATOM 220 CE3 TRP A 26 95.304 11.147 2.219 1.00 0.00 C ATOM 221 CZ2 TRP A 26 92.693 12.179 2.549 1.00 0.00 C ATOM 222 CZ3 TRP A 26 95.032 12.491 2.040 1.00 0.00 C ATOM 223 CH2 TRP A 26 93.736 12.995 2.205 1.00 0.00 C ATOM 0 H TRP A 26 94.837 5.861 4.263 1.00 0.00 H new ATOM 0 HA TRP A 26 94.039 6.638 1.551 1.00 0.00 H new ATOM 0 HB2 TRP A 26 95.713 7.781 3.779 1.00 0.00 H new ATOM 0 HB3 TRP A 26 96.075 8.272 2.137 1.00 0.00 H new ATOM 0 HD1 TRP A 26 92.458 7.662 3.385 1.00 0.00 H new ATOM 0 HE1 TRP A 26 91.129 9.877 3.252 1.00 0.00 H new ATOM 0 HE3 TRP A 26 96.306 10.766 2.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 91.694 12.571 2.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 95.833 13.163 1.768 1.00 0.00 H new ATOM 0 HH2 TRP A 26 93.556 14.050 2.058 1.00 0.00 H new ATOM 234 N GLU A 27 96.610 4.835 2.258 1.00 0.00 N ATOM 235 CA GLU A 27 97.737 4.104 1.689 1.00 0.00 C ATOM 236 C GLU A 27 97.308 3.338 0.444 1.00 0.00 C ATOM 237 O GLU A 27 98.016 3.328 -0.563 1.00 0.00 O ATOM 238 CB GLU A 27 98.327 3.146 2.723 1.00 0.00 C ATOM 239 CG GLU A 27 99.846 3.105 2.720 1.00 0.00 C ATOM 240 CD GLU A 27 100.417 2.782 1.354 1.00 0.00 C ATOM 241 OE1 GLU A 27 100.294 1.618 0.918 1.00 0.00 O ATOM 242 OE2 GLU A 27 100.987 3.694 0.718 1.00 0.00 O ATOM 0 H GLU A 27 96.334 4.531 3.191 1.00 0.00 H new ATOM 0 HA GLU A 27 98.503 4.825 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 27 97.982 3.438 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 27 97.945 2.143 2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 27 100.233 4.068 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 27 100.187 2.359 3.438 1.00 0.00 H new ATOM 249 N SER A 28 96.139 2.707 0.512 1.00 0.00 N ATOM 250 CA SER A 28 95.621 1.955 -0.623 1.00 0.00 C ATOM 251 C SER A 28 95.364 2.890 -1.793 1.00 0.00 C ATOM 252 O SER A 28 95.633 2.549 -2.946 1.00 0.00 O ATOM 253 CB SER A 28 94.340 1.216 -0.238 1.00 0.00 C ATOM 254 OG SER A 28 93.526 0.966 -1.372 1.00 0.00 O ATOM 0 H SER A 28 95.537 2.702 1.336 1.00 0.00 H new ATOM 0 HA SER A 28 96.365 1.216 -0.921 1.00 0.00 H new ATOM 0 HB2 SER A 28 94.594 0.272 0.245 1.00 0.00 H new ATOM 0 HB3 SER A 28 93.782 1.806 0.489 1.00 0.00 H new ATOM 0 HG SER A 28 92.715 0.491 -1.094 1.00 0.00 H new ATOM 260 N ALA A 29 94.867 4.084 -1.487 1.00 0.00 N ATOM 261 CA ALA A 29 94.609 5.077 -2.515 1.00 0.00 C ATOM 262 C ALA A 29 95.919 5.438 -3.196 1.00 0.00 C ATOM 263 O ALA A 29 95.967 5.689 -4.400 1.00 0.00 O ATOM 264 CB ALA A 29 93.954 6.313 -1.915 1.00 0.00 C ATOM 0 H ALA A 29 94.637 4.383 -0.539 1.00 0.00 H new ATOM 0 HA ALA A 29 93.921 4.664 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 29 93.769 7.045 -2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 29 93.009 6.034 -1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 29 94.614 6.747 -1.164 1.00 0.00 H new ATOM 270 N LYS A 30 96.988 5.428 -2.406 1.00 0.00 N ATOM 271 CA LYS A 30 98.322 5.724 -2.909 1.00 0.00 C ATOM 272 C LYS A 30 98.878 4.513 -3.650 1.00 0.00 C ATOM 273 O LYS A 30 99.689 4.650 -4.566 1.00 0.00 O ATOM 274 CB LYS A 30 99.252 6.107 -1.756 1.00 0.00 C ATOM 275 CG LYS A 30 100.252 7.194 -2.116 1.00 0.00 C ATOM 276 CD LYS A 30 101.395 7.252 -1.115 1.00 0.00 C ATOM 277 CE LYS A 30 102.377 8.364 -1.450 1.00 0.00 C ATOM 278 NZ LYS A 30 103.749 7.839 -1.686 1.00 0.00 N ATOM 0 H LYS A 30 96.954 5.216 -1.409 1.00 0.00 H new ATOM 0 HA LYS A 30 98.259 6.565 -3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.651 6.444 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 30 99.794 5.220 -1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 30 100.650 7.008 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 30 99.746 8.159 -2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 30 100.995 7.409 -0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 30 101.918 6.296 -1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 30 102.034 8.896 -2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 30 102.400 9.086 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 104.388 8.628 -1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 104.087 7.353 -0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 103.732 7.169 -2.481 1.00 0.00 H new ATOM 292 N THR A 31 98.423 3.327 -3.250 1.00 0.00 N ATOM 293 CA THR A 31 98.861 2.089 -3.873 1.00 0.00 C ATOM 294 C THR A 31 98.333 1.999 -5.300 1.00 0.00 C ATOM 295 O THR A 31 99.101 1.849 -6.250 1.00 0.00 O ATOM 296 CB THR A 31 98.371 0.896 -3.056 1.00 0.00 C ATOM 297 OG1 THR A 31 98.993 0.870 -1.784 1.00 0.00 O ATOM 298 CG2 THR A 31 98.632 -0.434 -3.722 1.00 0.00 C ATOM 0 H THR A 31 97.749 3.202 -2.495 1.00 0.00 H new ATOM 0 HA THR A 31 99.950 2.076 -3.904 1.00 0.00 H new ATOM 0 HB THR A 31 97.293 1.032 -2.966 1.00 0.00 H new ATOM 0 HG1 THR A 31 98.732 1.666 -1.276 1.00 0.00 H new ATOM 0 HG21 THR A 31 98.259 -1.238 -3.088 1.00 0.00 H new ATOM 0 HG22 THR A 31 98.122 -0.465 -4.685 1.00 0.00 H new ATOM 0 HG23 THR A 31 99.704 -0.560 -3.875 1.00 0.00 H new ATOM 306 N ALA A 32 97.014 2.105 -5.443 1.00 0.00 N ATOM 307 CA ALA A 32 96.386 2.052 -6.755 1.00 0.00 C ATOM 308 C ALA A 32 96.959 3.137 -7.656 1.00 0.00 C ATOM 309 O ALA A 32 96.925 3.030 -8.882 1.00 0.00 O ATOM 310 CB ALA A 32 94.876 2.197 -6.628 1.00 0.00 C ATOM 0 H ALA A 32 96.363 2.228 -4.667 1.00 0.00 H new ATOM 0 HA ALA A 32 96.597 1.083 -7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 32 94.422 2.155 -7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 32 94.483 1.387 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 32 94.640 3.153 -6.161 1.00 0.00 H new ATOM 316 N ALA A 33 97.504 4.177 -7.030 1.00 0.00 N ATOM 317 CA ALA A 33 98.108 5.281 -7.760 1.00 0.00 C ATOM 318 C ALA A 33 99.506 4.902 -8.228 1.00 0.00 C ATOM 319 O ALA A 33 99.977 5.371 -9.264 1.00 0.00 O ATOM 320 CB ALA A 33 98.155 6.529 -6.889 1.00 0.00 C ATOM 0 H ALA A 33 97.538 4.275 -6.015 1.00 0.00 H new ATOM 0 HA ALA A 33 97.497 5.496 -8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 33 98.609 7.346 -7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 33 97.142 6.808 -6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 33 98.747 6.328 -5.996 1.00 0.00 H new ATOM 326 N GLN A 34 100.162 4.036 -7.459 1.00 0.00 N ATOM 327 CA GLN A 34 101.505 3.578 -7.796 1.00 0.00 C ATOM 328 C GLN A 34 101.446 2.579 -8.946 1.00 0.00 C ATOM 329 O GLN A 34 102.195 2.684 -9.914 1.00 0.00 O ATOM 330 CB GLN A 34 102.166 2.933 -6.575 1.00 0.00 C ATOM 331 CG GLN A 34 103.086 3.873 -5.814 1.00 0.00 C ATOM 332 CD GLN A 34 104.388 3.212 -5.410 1.00 0.00 C ATOM 333 OE1 GLN A 34 104.397 2.100 -4.881 1.00 0.00 O ATOM 334 NE2 GLN A 34 105.500 3.893 -5.661 1.00 0.00 N ATOM 0 H GLN A 34 99.784 3.638 -6.599 1.00 0.00 H new ATOM 0 HA GLN A 34 102.100 4.437 -8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 34 101.390 2.572 -5.900 1.00 0.00 H new ATOM 0 HB3 GLN A 34 102.737 2.062 -6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 34 103.302 4.744 -6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 34 102.574 4.234 -4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 34 105.447 4.812 -6.101 1.00 0.00 H new ATOM 0 HE22 GLN A 34 106.407 3.497 -5.414 1.00 0.00 H new ATOM 343 N ASN A 35 100.537 1.615 -8.831 1.00 0.00 N ATOM 344 CA ASN A 35 100.351 0.592 -9.845 1.00 0.00 C ATOM 345 C ASN A 35 100.197 1.208 -11.232 1.00 0.00 C ATOM 346 O ASN A 35 100.901 0.840 -12.168 1.00 0.00 O ATOM 347 CB ASN A 35 99.112 -0.224 -9.490 1.00 0.00 C ATOM 348 CG ASN A 35 99.321 -1.717 -9.643 1.00 0.00 C ATOM 349 OD1 ASN A 35 99.714 -2.400 -8.697 1.00 0.00 O ATOM 350 ND2 ASN A 35 99.053 -2.234 -10.838 1.00 0.00 N ATOM 0 H ASN A 35 99.911 1.525 -8.031 1.00 0.00 H new ATOM 0 HA ASN A 35 101.231 -0.051 -9.869 1.00 0.00 H new ATOM 0 HB2 ASN A 35 98.823 -0.007 -8.462 1.00 0.00 H new ATOM 0 HB3 ASN A 35 98.284 0.088 -10.126 1.00 0.00 H new ATOM 0 HD21 ASN A 35 99.171 -3.234 -10.999 1.00 0.00 H new ATOM 0 HD22 ASN A 35 98.729 -1.630 -11.594 1.00 0.00 H new ATOM 357 N LEU A 36 99.266 2.144 -11.354 1.00 0.00 N ATOM 358 CA LEU A 36 99.004 2.809 -12.614 1.00 0.00 C ATOM 359 C LEU A 36 100.221 3.590 -13.111 1.00 0.00 C ATOM 360 O LEU A 36 100.446 3.701 -14.314 1.00 0.00 O ATOM 361 CB LEU A 36 97.821 3.749 -12.423 1.00 0.00 C ATOM 362 CG LEU A 36 96.735 3.664 -13.498 1.00 0.00 C ATOM 363 CD1 LEU A 36 95.566 2.824 -13.009 1.00 0.00 C ATOM 364 CD2 LEU A 36 96.264 5.056 -13.891 1.00 0.00 C ATOM 0 H LEU A 36 98.676 2.460 -10.584 1.00 0.00 H new ATOM 0 HA LEU A 36 98.779 2.056 -13.369 1.00 0.00 H new ATOM 0 HB2 LEU A 36 97.367 3.542 -11.454 1.00 0.00 H new ATOM 0 HB3 LEU A 36 98.194 4.773 -12.387 1.00 0.00 H new ATOM 0 HG LEU A 36 97.160 3.183 -14.379 1.00 0.00 H new ATOM 0 HD11 LEU A 36 94.803 2.774 -13.786 1.00 0.00 H new ATOM 0 HD12 LEU A 36 95.913 1.817 -12.777 1.00 0.00 H new ATOM 0 HD13 LEU A 36 95.142 3.277 -12.113 1.00 0.00 H new ATOM 0 HD21 LEU A 36 95.492 4.976 -14.656 1.00 0.00 H new ATOM 0 HD22 LEU A 36 95.857 5.563 -13.016 1.00 0.00 H new ATOM 0 HD23 LEU A 36 97.105 5.628 -14.283 1.00 0.00 H new ATOM 376 N TYR A 37 100.992 4.143 -12.178 1.00 0.00 N ATOM 377 CA TYR A 37 102.173 4.941 -12.525 1.00 0.00 C ATOM 378 C TYR A 37 103.464 4.123 -12.508 1.00 0.00 C ATOM 379 O TYR A 37 104.536 4.650 -12.801 1.00 0.00 O ATOM 380 CB TYR A 37 102.305 6.116 -11.555 1.00 0.00 C ATOM 381 CG TYR A 37 103.268 7.178 -12.031 1.00 0.00 C ATOM 382 CD1 TYR A 37 102.951 7.996 -13.108 1.00 0.00 C ATOM 383 CD2 TYR A 37 104.501 7.353 -11.415 1.00 0.00 C ATOM 384 CE1 TYR A 37 103.833 8.959 -13.556 1.00 0.00 C ATOM 385 CE2 TYR A 37 105.390 8.313 -11.858 1.00 0.00 C ATOM 386 CZ TYR A 37 105.052 9.113 -12.929 1.00 0.00 C ATOM 387 OH TYR A 37 105.935 10.070 -13.374 1.00 0.00 O ATOM 0 H TYR A 37 100.823 4.055 -11.176 1.00 0.00 H new ATOM 0 HA TYR A 37 102.028 5.300 -13.544 1.00 0.00 H new ATOM 0 HB2 TYR A 37 101.324 6.566 -11.405 1.00 0.00 H new ATOM 0 HB3 TYR A 37 102.636 5.743 -10.586 1.00 0.00 H new ATOM 0 HD1 TYR A 37 101.999 7.877 -13.603 1.00 0.00 H new ATOM 0 HD2 TYR A 37 104.769 6.728 -10.576 1.00 0.00 H new ATOM 0 HE1 TYR A 37 103.570 9.589 -14.393 1.00 0.00 H new ATOM 0 HE2 TYR A 37 106.345 8.436 -11.368 1.00 0.00 H new ATOM 0 HH TYR A 37 106.745 10.049 -12.823 1.00 0.00 H new ATOM 397 N GLU A 38 103.367 2.845 -12.164 1.00 0.00 N ATOM 398 CA GLU A 38 104.547 1.983 -12.118 1.00 0.00 C ATOM 399 C GLU A 38 104.262 0.618 -12.730 1.00 0.00 C ATOM 400 O GLU A 38 104.930 0.198 -13.676 1.00 0.00 O ATOM 401 CB GLU A 38 105.035 1.816 -10.674 1.00 0.00 C ATOM 402 CG GLU A 38 106.269 2.642 -10.351 1.00 0.00 C ATOM 403 CD GLU A 38 106.657 2.567 -8.887 1.00 0.00 C ATOM 404 OE1 GLU A 38 106.763 1.440 -8.358 1.00 0.00 O ATOM 405 OE2 GLU A 38 106.856 3.635 -8.270 1.00 0.00 O ATOM 0 H GLU A 38 102.493 2.383 -11.914 1.00 0.00 H new ATOM 0 HA GLU A 38 105.329 2.464 -12.706 1.00 0.00 H new ATOM 0 HB2 GLU A 38 104.232 2.096 -9.993 1.00 0.00 H new ATOM 0 HB3 GLU A 38 105.254 0.764 -10.493 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.103 2.296 -10.962 1.00 0.00 H new ATOM 0 HG3 GLU A 38 106.086 3.682 -10.621 1.00 0.00 H new ATOM 412 N LYS A 39 103.275 -0.073 -12.182 1.00 0.00 N ATOM 413 CA LYS A 39 102.908 -1.396 -12.672 1.00 0.00 C ATOM 414 C LYS A 39 102.347 -1.325 -14.088 1.00 0.00 C ATOM 415 O LYS A 39 102.862 -1.969 -15.003 1.00 0.00 O ATOM 416 CB LYS A 39 101.890 -2.042 -11.734 1.00 0.00 C ATOM 417 CG LYS A 39 102.415 -2.248 -10.323 1.00 0.00 C ATOM 418 CD LYS A 39 103.608 -3.192 -10.303 1.00 0.00 C ATOM 419 CE LYS A 39 103.324 -4.432 -9.471 1.00 0.00 C ATOM 420 NZ LYS A 39 102.160 -5.201 -9.996 1.00 0.00 N ATOM 0 H LYS A 39 102.713 0.258 -11.398 1.00 0.00 H new ATOM 0 HA LYS A 39 103.810 -2.008 -12.697 1.00 0.00 H new ATOM 0 HB2 LYS A 39 100.997 -1.418 -11.694 1.00 0.00 H new ATOM 0 HB3 LYS A 39 101.588 -3.005 -12.145 1.00 0.00 H new ATOM 0 HG2 LYS A 39 102.703 -1.287 -9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 39 101.621 -2.650 -9.694 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.858 -3.486 -11.322 1.00 0.00 H new ATOM 0 HD3 LYS A 39 104.477 -2.673 -9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 39 104.206 -5.072 -9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 39 103.130 -4.140 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 101.936 -5.980 -9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 101.336 -4.571 -10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 102.394 -5.589 -10.932 1.00 0.00 H new ATOM 434 N THR A 40 101.290 -0.540 -14.264 1.00 0.00 N ATOM 435 CA THR A 40 100.660 -0.384 -15.565 1.00 0.00 C ATOM 436 C THR A 40 101.640 0.176 -16.594 1.00 0.00 C ATOM 437 O THR A 40 101.443 0.021 -17.799 1.00 0.00 O ATOM 438 CB THR A 40 99.441 0.531 -15.449 1.00 0.00 C ATOM 439 OG1 THR A 40 98.598 0.108 -14.391 1.00 0.00 O ATOM 440 CG2 THR A 40 98.610 0.578 -16.708 1.00 0.00 C ATOM 0 H THR A 40 100.852 -0.001 -13.517 1.00 0.00 H new ATOM 0 HA THR A 40 100.341 -1.369 -15.906 1.00 0.00 H new ATOM 0 HB THR A 40 99.841 1.527 -15.261 1.00 0.00 H new ATOM 0 HG1 THR A 40 97.752 0.601 -14.429 1.00 0.00 H new ATOM 0 HG21 THR A 40 97.761 1.245 -16.559 1.00 0.00 H new ATOM 0 HG22 THR A 40 99.220 0.946 -17.533 1.00 0.00 H new ATOM 0 HG23 THR A 40 98.248 -0.423 -16.943 1.00 0.00 H new ATOM 448 N TYR A 41 102.697 0.828 -16.113 1.00 0.00 N ATOM 449 CA TYR A 41 103.705 1.402 -16.996 1.00 0.00 C ATOM 450 C TYR A 41 104.310 0.327 -17.897 1.00 0.00 C ATOM 451 O TYR A 41 104.794 0.617 -18.990 1.00 0.00 O ATOM 452 CB TYR A 41 104.798 2.076 -16.169 1.00 0.00 C ATOM 453 CG TYR A 41 105.285 3.387 -16.749 1.00 0.00 C ATOM 454 CD1 TYR A 41 105.780 3.455 -18.045 1.00 0.00 C ATOM 455 CD2 TYR A 41 105.254 4.557 -15.998 1.00 0.00 C ATOM 456 CE1 TYR A 41 106.230 4.647 -18.578 1.00 0.00 C ATOM 457 CE2 TYR A 41 105.702 5.754 -16.524 1.00 0.00 C ATOM 458 CZ TYR A 41 106.189 5.794 -17.814 1.00 0.00 C ATOM 459 OH TYR A 41 106.637 6.984 -18.342 1.00 0.00 O ATOM 0 H TYR A 41 102.876 0.971 -15.119 1.00 0.00 H new ATOM 0 HA TYR A 41 103.227 2.149 -17.630 1.00 0.00 H new ATOM 0 HB2 TYR A 41 104.421 2.253 -15.162 1.00 0.00 H new ATOM 0 HB3 TYR A 41 105.643 1.394 -16.077 1.00 0.00 H new ATOM 0 HD1 TYR A 41 105.814 2.559 -18.647 1.00 0.00 H new ATOM 0 HD2 TYR A 41 104.874 4.530 -14.988 1.00 0.00 H new ATOM 0 HE1 TYR A 41 106.612 4.680 -19.588 1.00 0.00 H new ATOM 0 HE2 TYR A 41 105.671 6.654 -15.928 1.00 0.00 H new ATOM 0 HH TYR A 41 106.539 7.695 -17.675 1.00 0.00 H new ATOM 469 N LEU A 42 104.270 -0.917 -17.427 1.00 0.00 N ATOM 470 CA LEU A 42 104.803 -2.045 -18.183 1.00 0.00 C ATOM 471 C LEU A 42 103.694 -3.045 -18.498 1.00 0.00 C ATOM 472 O LEU A 42 102.582 -2.930 -17.981 1.00 0.00 O ATOM 473 CB LEU A 42 105.919 -2.734 -17.393 1.00 0.00 C ATOM 474 CG LEU A 42 106.915 -1.788 -16.715 1.00 0.00 C ATOM 475 CD1 LEU A 42 107.289 -2.304 -15.333 1.00 0.00 C ATOM 476 CD2 LEU A 42 108.157 -1.615 -17.578 1.00 0.00 C ATOM 0 H LEU A 42 103.872 -1.169 -16.522 1.00 0.00 H new ATOM 0 HA LEU A 42 105.214 -1.669 -19.120 1.00 0.00 H new ATOM 0 HB2 LEU A 42 105.465 -3.367 -16.630 1.00 0.00 H new ATOM 0 HB3 LEU A 42 106.468 -3.392 -18.067 1.00 0.00 H new ATOM 0 HG LEU A 42 106.440 -0.814 -16.598 1.00 0.00 H new ATOM 0 HD11 LEU A 42 107.997 -1.618 -14.868 1.00 0.00 H new ATOM 0 HD12 LEU A 42 106.393 -2.374 -14.716 1.00 0.00 H new ATOM 0 HD13 LEU A 42 107.745 -3.290 -15.424 1.00 0.00 H new ATOM 0 HD21 LEU A 42 108.854 -0.940 -17.081 1.00 0.00 H new ATOM 0 HD22 LEU A 42 108.634 -2.584 -17.727 1.00 0.00 H new ATOM 0 HD23 LEU A 42 107.873 -1.197 -18.544 1.00 0.00 H new ATOM 488 N PRO A 43 103.977 -4.042 -19.353 1.00 0.00 N ATOM 489 CA PRO A 43 102.999 -5.061 -19.737 1.00 0.00 C ATOM 490 C PRO A 43 102.797 -6.123 -18.654 1.00 0.00 C ATOM 491 O PRO A 43 102.265 -7.200 -18.926 1.00 0.00 O ATOM 492 CB PRO A 43 103.608 -5.698 -20.999 1.00 0.00 C ATOM 493 CG PRO A 43 104.840 -4.906 -21.310 1.00 0.00 C ATOM 494 CD PRO A 43 105.260 -4.257 -20.025 1.00 0.00 C ATOM 0 HA PRO A 43 102.013 -4.625 -19.896 1.00 0.00 H new ATOM 0 HB2 PRO A 43 103.852 -6.747 -20.828 1.00 0.00 H new ATOM 0 HB3 PRO A 43 102.904 -5.666 -21.830 1.00 0.00 H new ATOM 0 HG2 PRO A 43 105.629 -5.551 -21.696 1.00 0.00 H new ATOM 0 HG3 PRO A 43 104.638 -4.157 -22.076 1.00 0.00 H new ATOM 0 HD2 PRO A 43 105.922 -4.898 -19.443 1.00 0.00 H new ATOM 0 HD3 PRO A 43 105.792 -3.321 -20.196 1.00 0.00 H new ATOM 502 N ALA A 44 103.224 -5.821 -17.429 1.00 0.00 N ATOM 503 CA ALA A 44 103.087 -6.755 -16.320 1.00 0.00 C ATOM 504 C ALA A 44 103.893 -8.025 -16.568 1.00 0.00 C ATOM 505 O ALA A 44 103.583 -9.083 -16.022 1.00 0.00 O ATOM 506 CB ALA A 44 101.622 -7.091 -16.088 1.00 0.00 C ATOM 0 H ALA A 44 103.667 -4.936 -17.182 1.00 0.00 H new ATOM 0 HA ALA A 44 103.482 -6.276 -15.424 1.00 0.00 H new ATOM 0 HB1 ALA A 44 101.536 -7.790 -15.256 1.00 0.00 H new ATOM 0 HB2 ALA A 44 101.072 -6.179 -15.854 1.00 0.00 H new ATOM 0 HB3 ALA A 44 101.206 -7.545 -16.987 1.00 0.00 H new ATOM 512 N VAL A 45 104.929 -7.913 -17.394 1.00 0.00 N ATOM 513 CA VAL A 45 105.781 -9.055 -17.714 1.00 0.00 C ATOM 514 C VAL A 45 107.065 -9.026 -16.889 1.00 0.00 C ATOM 515 O VAL A 45 107.623 -10.071 -16.557 1.00 0.00 O ATOM 516 CB VAL A 45 106.153 -9.077 -19.210 1.00 0.00 C ATOM 517 CG1 VAL A 45 106.906 -10.353 -19.558 1.00 0.00 C ATOM 518 CG2 VAL A 45 104.908 -8.935 -20.071 1.00 0.00 C ATOM 0 H VAL A 45 105.199 -7.044 -17.854 1.00 0.00 H new ATOM 0 HA VAL A 45 105.212 -9.953 -17.474 1.00 0.00 H new ATOM 0 HB VAL A 45 106.808 -8.230 -19.413 1.00 0.00 H new ATOM 0 HG11 VAL A 45 107.159 -10.348 -20.618 1.00 0.00 H new ATOM 0 HG12 VAL A 45 107.820 -10.409 -18.967 1.00 0.00 H new ATOM 0 HG13 VAL A 45 106.279 -11.217 -19.338 1.00 0.00 H new ATOM 0 HG21 VAL A 45 105.190 -8.953 -21.124 1.00 0.00 H new ATOM 0 HG22 VAL A 45 104.226 -9.760 -19.864 1.00 0.00 H new ATOM 0 HG23 VAL A 45 104.414 -7.990 -19.843 1.00 0.00 H new ATOM 528 N ASP A 46 107.526 -7.823 -16.568 1.00 0.00 N ATOM 529 CA ASP A 46 108.747 -7.656 -15.787 1.00 0.00 C ATOM 530 C ASP A 46 108.529 -8.033 -14.326 1.00 0.00 C ATOM 531 O ASP A 46 109.485 -8.302 -13.600 1.00 0.00 O ATOM 532 CB ASP A 46 109.241 -6.212 -15.885 1.00 0.00 C ATOM 533 CG ASP A 46 109.853 -5.900 -17.237 1.00 0.00 C ATOM 534 OD1 ASP A 46 109.098 -5.842 -18.230 1.00 0.00 O ATOM 535 OD2 ASP A 46 111.086 -5.715 -17.302 1.00 0.00 O ATOM 0 H ASP A 46 107.074 -6.949 -16.836 1.00 0.00 H new ATOM 0 HA ASP A 46 109.502 -8.325 -16.200 1.00 0.00 H new ATOM 0 HB2 ASP A 46 108.408 -5.533 -15.701 1.00 0.00 H new ATOM 0 HB3 ASP A 46 109.980 -6.030 -15.104 1.00 0.00 H new ATOM 540 N GLU A 47 107.272 -8.052 -13.896 1.00 0.00 N ATOM 541 CA GLU A 47 106.950 -8.397 -12.518 1.00 0.00 C ATOM 542 C GLU A 47 106.484 -9.843 -12.410 1.00 0.00 C ATOM 543 O GLU A 47 106.868 -10.560 -11.486 1.00 0.00 O ATOM 544 CB GLU A 47 105.884 -7.458 -11.959 1.00 0.00 C ATOM 545 CG GLU A 47 104.650 -7.323 -12.840 1.00 0.00 C ATOM 546 CD GLU A 47 103.396 -7.856 -12.174 1.00 0.00 C ATOM 547 OE1 GLU A 47 103.304 -9.087 -11.981 1.00 0.00 O ATOM 548 OE2 GLU A 47 102.506 -7.044 -11.847 1.00 0.00 O ATOM 0 H GLU A 47 106.464 -7.834 -14.479 1.00 0.00 H new ATOM 0 HA GLU A 47 107.859 -8.284 -11.927 1.00 0.00 H new ATOM 0 HB2 GLU A 47 105.578 -7.817 -10.976 1.00 0.00 H new ATOM 0 HB3 GLU A 47 106.324 -6.471 -11.815 1.00 0.00 H new ATOM 0 HG2 GLU A 47 104.503 -6.273 -13.095 1.00 0.00 H new ATOM 0 HG3 GLU A 47 104.816 -7.858 -13.775 1.00 0.00 H new ATOM 555 N LYS A 48 105.661 -10.274 -13.361 1.00 0.00 N ATOM 556 CA LYS A 48 105.160 -11.643 -13.364 1.00 0.00 C ATOM 557 C LYS A 48 106.321 -12.629 -13.406 1.00 0.00 C ATOM 558 O LYS A 48 106.203 -13.766 -12.951 1.00 0.00 O ATOM 559 CB LYS A 48 104.231 -11.871 -14.558 1.00 0.00 C ATOM 560 CG LYS A 48 102.793 -11.449 -14.301 1.00 0.00 C ATOM 561 CD LYS A 48 101.843 -12.072 -15.310 1.00 0.00 C ATOM 562 CE LYS A 48 101.565 -13.533 -14.990 1.00 0.00 C ATOM 563 NZ LYS A 48 102.189 -14.448 -15.986 1.00 0.00 N ATOM 0 H LYS A 48 105.329 -9.699 -14.135 1.00 0.00 H new ATOM 0 HA LYS A 48 104.593 -11.806 -12.447 1.00 0.00 H new ATOM 0 HB2 LYS A 48 104.615 -11.320 -15.416 1.00 0.00 H new ATOM 0 HB3 LYS A 48 104.248 -12.928 -14.824 1.00 0.00 H new ATOM 0 HG2 LYS A 48 102.500 -11.744 -13.293 1.00 0.00 H new ATOM 0 HG3 LYS A 48 102.717 -10.363 -14.350 1.00 0.00 H new ATOM 0 HD2 LYS A 48 100.905 -11.516 -15.319 1.00 0.00 H new ATOM 0 HD3 LYS A 48 102.270 -11.993 -16.310 1.00 0.00 H new ATOM 0 HE2 LYS A 48 101.945 -13.766 -13.995 1.00 0.00 H new ATOM 0 HE3 LYS A 48 100.488 -13.701 -14.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 102.308 -15.391 -15.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 101.577 -14.518 -16.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 103.118 -14.075 -16.266 1.00 0.00 H new ATOM 577 N LEU A 49 107.446 -12.175 -13.950 1.00 0.00 N ATOM 578 CA LEU A 49 108.640 -13.004 -14.049 1.00 0.00 C ATOM 579 C LEU A 49 109.678 -12.592 -13.007 1.00 0.00 C ATOM 580 O LEU A 49 110.591 -13.355 -12.699 1.00 0.00 O ATOM 581 CB LEU A 49 109.240 -12.904 -15.451 1.00 0.00 C ATOM 582 CG LEU A 49 108.663 -13.885 -16.472 1.00 0.00 C ATOM 583 CD1 LEU A 49 109.111 -13.516 -17.878 1.00 0.00 C ATOM 584 CD2 LEU A 49 109.077 -15.310 -16.133 1.00 0.00 C ATOM 0 H LEU A 49 107.555 -11.235 -14.330 1.00 0.00 H new ATOM 0 HA LEU A 49 108.351 -14.038 -13.858 1.00 0.00 H new ATOM 0 HB2 LEU A 49 109.093 -11.889 -15.821 1.00 0.00 H new ATOM 0 HB3 LEU A 49 110.316 -13.066 -15.382 1.00 0.00 H new ATOM 0 HG LEU A 49 107.575 -13.825 -16.433 1.00 0.00 H new ATOM 0 HD11 LEU A 49 108.691 -14.225 -18.592 1.00 0.00 H new ATOM 0 HD12 LEU A 49 108.764 -12.511 -18.118 1.00 0.00 H new ATOM 0 HD13 LEU A 49 110.199 -13.547 -17.933 1.00 0.00 H new ATOM 0 HD21 LEU A 49 108.658 -15.996 -16.870 1.00 0.00 H new ATOM 0 HD22 LEU A 49 110.164 -15.385 -16.144 1.00 0.00 H new ATOM 0 HD23 LEU A 49 108.706 -15.571 -15.142 1.00 0.00 H new ATOM 596 N ARG A 50 109.535 -11.381 -12.463 1.00 0.00 N ATOM 597 CA ARG A 50 110.471 -10.890 -11.455 1.00 0.00 C ATOM 598 C ARG A 50 109.729 -10.253 -10.287 1.00 0.00 C ATOM 599 O ARG A 50 109.751 -9.034 -10.109 1.00 0.00 O ATOM 600 CB ARG A 50 111.444 -9.881 -12.070 1.00 0.00 C ATOM 601 CG ARG A 50 112.750 -9.750 -11.302 1.00 0.00 C ATOM 602 CD ARG A 50 113.762 -8.904 -12.059 1.00 0.00 C ATOM 603 NE ARG A 50 114.281 -7.807 -11.243 1.00 0.00 N ATOM 604 CZ ARG A 50 115.037 -7.981 -10.161 1.00 0.00 C ATOM 605 NH1 ARG A 50 115.363 -9.203 -9.759 1.00 0.00 N ATOM 606 NH2 ARG A 50 115.468 -6.929 -9.478 1.00 0.00 N ATOM 0 H ARG A 50 108.787 -10.730 -12.702 1.00 0.00 H new ATOM 0 HA ARG A 50 111.037 -11.743 -11.081 1.00 0.00 H new ATOM 0 HB2 ARG A 50 111.663 -10.179 -13.095 1.00 0.00 H new ATOM 0 HB3 ARG A 50 110.961 -8.905 -12.118 1.00 0.00 H new ATOM 0 HG2 ARG A 50 112.556 -9.302 -10.328 1.00 0.00 H new ATOM 0 HG3 ARG A 50 113.167 -10.741 -11.120 1.00 0.00 H new ATOM 0 HD2 ARG A 50 114.589 -9.535 -12.386 1.00 0.00 H new ATOM 0 HD3 ARG A 50 113.296 -8.498 -12.957 1.00 0.00 H new ATOM 0 HE ARG A 50 114.050 -6.853 -11.519 1.00 0.00 H new ATOM 0 HH11 ARG A 50 115.034 -10.016 -10.280 1.00 0.00 H new ATOM 0 HH12 ARG A 50 115.943 -9.329 -8.929 1.00 0.00 H new ATOM 0 HH21 ARG A 50 115.220 -5.987 -9.782 1.00 0.00 H new ATOM 0 HH22 ARG A 50 116.047 -7.062 -8.649 1.00 0.00 H new ATOM 620 N ASP A 51 109.082 -11.090 -9.487 1.00 0.00 N ATOM 621 CA ASP A 51 108.341 -10.623 -8.323 1.00 0.00 C ATOM 622 C ASP A 51 108.545 -11.570 -7.151 1.00 0.00 C ATOM 623 O ASP A 51 108.961 -11.156 -6.071 1.00 0.00 O ATOM 624 CB ASP A 51 106.849 -10.507 -8.645 1.00 0.00 C ATOM 625 CG ASP A 51 106.473 -9.129 -9.148 1.00 0.00 C ATOM 626 OD1 ASP A 51 107.337 -8.460 -9.754 1.00 0.00 O ATOM 627 OD2 ASP A 51 105.313 -8.716 -8.936 1.00 0.00 O ATOM 0 H ASP A 51 109.056 -12.100 -9.624 1.00 0.00 H new ATOM 0 HA ASP A 51 108.718 -9.637 -8.052 1.00 0.00 H new ATOM 0 HB2 ASP A 51 106.583 -11.250 -9.397 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.268 -10.736 -7.751 1.00 0.00 H new ATOM 632 N LEU A 52 108.260 -12.848 -7.372 1.00 0.00 N ATOM 633 CA LEU A 52 108.423 -13.855 -6.328 1.00 0.00 C ATOM 634 C LEU A 52 109.808 -13.751 -5.697 1.00 0.00 C ATOM 635 O LEU A 52 109.974 -13.942 -4.493 1.00 0.00 O ATOM 636 CB LEU A 52 108.212 -15.260 -6.902 1.00 0.00 C ATOM 637 CG LEU A 52 108.778 -15.478 -8.309 1.00 0.00 C ATOM 638 CD1 LEU A 52 109.444 -16.842 -8.414 1.00 0.00 C ATOM 639 CD2 LEU A 52 107.678 -15.339 -9.353 1.00 0.00 C ATOM 0 H LEU A 52 107.916 -13.211 -8.261 1.00 0.00 H new ATOM 0 HA LEU A 52 107.673 -13.674 -5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 52 108.669 -15.984 -6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 52 107.143 -15.472 -6.920 1.00 0.00 H new ATOM 0 HG LEU A 52 109.532 -14.714 -8.498 1.00 0.00 H new ATOM 0 HD11 LEU A 52 109.839 -16.977 -9.421 1.00 0.00 H new ATOM 0 HD12 LEU A 52 110.259 -16.906 -7.693 1.00 0.00 H new ATOM 0 HD13 LEU A 52 108.712 -17.622 -8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 52 108.097 -15.497 -10.347 1.00 0.00 H new ATOM 0 HD22 LEU A 52 106.902 -16.081 -9.165 1.00 0.00 H new ATOM 0 HD23 LEU A 52 107.246 -14.340 -9.296 1.00 0.00 H new ATOM 651 N TYR A 53 110.795 -13.438 -6.528 1.00 0.00 N ATOM 652 CA TYR A 53 112.178 -13.300 -6.079 1.00 0.00 C ATOM 653 C TYR A 53 112.462 -11.885 -5.586 1.00 0.00 C ATOM 654 O TYR A 53 112.979 -11.685 -4.487 1.00 0.00 O ATOM 655 CB TYR A 53 113.126 -13.625 -7.228 1.00 0.00 C ATOM 656 CG TYR A 53 114.382 -14.330 -6.779 1.00 0.00 C ATOM 657 CD1 TYR A 53 114.423 -15.713 -6.671 1.00 0.00 C ATOM 658 CD2 TYR A 53 115.522 -13.611 -6.442 1.00 0.00 C ATOM 659 CE1 TYR A 53 115.565 -16.362 -6.243 1.00 0.00 C ATOM 660 CE2 TYR A 53 116.666 -14.251 -6.009 1.00 0.00 C ATOM 661 CZ TYR A 53 116.683 -15.627 -5.912 1.00 0.00 C ATOM 662 OH TYR A 53 117.821 -16.268 -5.480 1.00 0.00 O ATOM 0 H TYR A 53 110.662 -13.273 -7.526 1.00 0.00 H new ATOM 0 HA TYR A 53 112.333 -13.994 -5.253 1.00 0.00 H new ATOM 0 HB2 TYR A 53 112.606 -14.250 -7.954 1.00 0.00 H new ATOM 0 HB3 TYR A 53 113.398 -12.701 -7.739 1.00 0.00 H new ATOM 0 HD1 TYR A 53 113.547 -16.292 -6.926 1.00 0.00 H new ATOM 0 HD2 TYR A 53 115.513 -12.534 -6.520 1.00 0.00 H new ATOM 0 HE1 TYR A 53 115.582 -17.439 -6.168 1.00 0.00 H new ATOM 0 HE2 TYR A 53 117.543 -13.677 -5.748 1.00 0.00 H new ATOM 0 HH TYR A 53 118.517 -15.605 -5.289 1.00 0.00 H new ATOM 672 N SER A 54 112.140 -10.908 -6.428 1.00 0.00 N ATOM 673 CA SER A 54 112.377 -9.499 -6.115 1.00 0.00 C ATOM 674 C SER A 54 111.415 -8.950 -5.060 1.00 0.00 C ATOM 675 O SER A 54 111.346 -7.739 -4.850 1.00 0.00 O ATOM 676 CB SER A 54 112.282 -8.655 -7.388 1.00 0.00 C ATOM 677 OG SER A 54 112.485 -7.281 -7.106 1.00 0.00 O ATOM 0 H SER A 54 111.711 -11.066 -7.340 1.00 0.00 H new ATOM 0 HA SER A 54 113.381 -9.437 -5.696 1.00 0.00 H new ATOM 0 HB2 SER A 54 113.025 -8.995 -8.110 1.00 0.00 H new ATOM 0 HB3 SER A 54 111.304 -8.794 -7.848 1.00 0.00 H new ATOM 0 HG SER A 54 111.861 -6.995 -6.406 1.00 0.00 H new ATOM 683 N LYS A 55 110.693 -9.834 -4.387 1.00 0.00 N ATOM 684 CA LYS A 55 109.760 -9.418 -3.340 1.00 0.00 C ATOM 685 C LYS A 55 110.196 -9.963 -1.982 1.00 0.00 C ATOM 686 O LYS A 55 109.746 -9.491 -0.939 1.00 0.00 O ATOM 687 CB LYS A 55 108.335 -9.884 -3.655 1.00 0.00 C ATOM 688 CG LYS A 55 107.627 -9.019 -4.689 1.00 0.00 C ATOM 689 CD LYS A 55 106.196 -8.711 -4.275 1.00 0.00 C ATOM 690 CE LYS A 55 106.091 -7.357 -3.590 1.00 0.00 C ATOM 691 NZ LYS A 55 105.274 -6.396 -4.380 1.00 0.00 N ATOM 0 H LYS A 55 110.732 -10.841 -4.543 1.00 0.00 H new ATOM 0 HA LYS A 55 109.768 -8.329 -3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 55 108.369 -10.912 -4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 55 107.751 -9.888 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 55 108.176 -8.087 -4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 55 107.626 -9.529 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 55 105.551 -8.726 -5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 55 105.836 -9.489 -3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 55 105.648 -7.484 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 55 107.090 -6.947 -3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 105.227 -5.486 -3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 105.710 -6.255 -5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 104.313 -6.775 -4.501 1.00 0.00 H new ATOM 705 N SER A 56 111.082 -10.955 -2.001 1.00 0.00 N ATOM 706 CA SER A 56 111.583 -11.556 -0.771 1.00 0.00 C ATOM 707 C SER A 56 113.040 -11.172 -0.532 1.00 0.00 C ATOM 708 O SER A 56 113.535 -11.244 0.593 1.00 0.00 O ATOM 709 CB SER A 56 111.451 -13.077 -0.834 1.00 0.00 C ATOM 710 OG SER A 56 110.146 -13.492 -0.471 1.00 0.00 O ATOM 0 H SER A 56 111.467 -11.359 -2.855 1.00 0.00 H new ATOM 0 HA SER A 56 110.985 -11.179 0.059 1.00 0.00 H new ATOM 0 HB2 SER A 56 111.679 -13.423 -1.842 1.00 0.00 H new ATOM 0 HB3 SER A 56 112.181 -13.536 -0.167 1.00 0.00 H new ATOM 0 HG SER A 56 110.088 -14.469 -0.521 1.00 0.00 H new ATOM 716 N THR A 57 113.726 -10.770 -1.599 1.00 0.00 N ATOM 717 CA THR A 57 115.128 -10.381 -1.503 1.00 0.00 C ATOM 718 C THR A 57 115.312 -8.894 -1.791 1.00 0.00 C ATOM 719 O THR A 57 116.268 -8.280 -1.319 1.00 0.00 O ATOM 720 CB THR A 57 115.972 -11.206 -2.475 1.00 0.00 C ATOM 721 OG1 THR A 57 115.850 -10.706 -3.794 1.00 0.00 O ATOM 722 CG2 THR A 57 115.592 -12.670 -2.498 1.00 0.00 C ATOM 0 H THR A 57 113.333 -10.706 -2.538 1.00 0.00 H new ATOM 0 HA THR A 57 115.459 -10.574 -0.483 1.00 0.00 H new ATOM 0 HB THR A 57 116.998 -11.119 -2.116 1.00 0.00 H new ATOM 0 HG1 THR A 57 114.971 -10.945 -4.155 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.228 -13.200 -3.207 1.00 0.00 H new ATOM 0 HG22 THR A 57 115.724 -13.096 -1.503 1.00 0.00 H new ATOM 0 HG23 THR A 57 114.549 -12.771 -2.800 1.00 0.00 H new ATOM 730 N ALA A 58 114.396 -8.317 -2.566 1.00 0.00 N ATOM 731 CA ALA A 58 114.478 -6.900 -2.904 1.00 0.00 C ATOM 732 C ALA A 58 113.462 -6.088 -2.116 1.00 0.00 C ATOM 733 O ALA A 58 113.807 -5.092 -1.484 1.00 0.00 O ATOM 734 CB ALA A 58 114.282 -6.696 -4.399 1.00 0.00 C ATOM 0 H ALA A 58 113.595 -8.805 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 58 115.473 -6.547 -2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 58 114.346 -5.633 -4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 58 115.057 -7.235 -4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 58 113.302 -7.073 -4.692 1.00 0.00 H new ATOM 740 N ALA A 59 112.209 -6.525 -2.143 1.00 0.00 N ATOM 741 CA ALA A 59 111.155 -5.838 -1.413 1.00 0.00 C ATOM 742 C ALA A 59 111.357 -5.979 0.094 1.00 0.00 C ATOM 743 O ALA A 59 110.668 -5.332 0.883 1.00 0.00 O ATOM 744 CB ALA A 59 109.791 -6.367 -1.821 1.00 0.00 C ATOM 0 H ALA A 59 111.900 -7.348 -2.660 1.00 0.00 H new ATOM 0 HA ALA A 59 111.203 -4.778 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 59 109.015 -5.841 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 59 109.643 -6.207 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 59 109.734 -7.433 -1.603 1.00 0.00 H new ATOM 750 N MET A 60 112.309 -6.826 0.491 1.00 0.00 N ATOM 751 CA MET A 60 112.599 -7.041 1.904 1.00 0.00 C ATOM 752 C MET A 60 113.882 -6.321 2.300 1.00 0.00 C ATOM 753 O MET A 60 113.924 -5.610 3.303 1.00 0.00 O ATOM 754 CB MET A 60 112.723 -8.536 2.199 1.00 0.00 C ATOM 755 CG MET A 60 111.385 -9.249 2.307 1.00 0.00 C ATOM 756 SD MET A 60 110.486 -8.816 3.810 1.00 0.00 S ATOM 757 CE MET A 60 111.047 -10.104 4.920 1.00 0.00 C ATOM 0 H MET A 60 112.889 -7.371 -0.147 1.00 0.00 H new ATOM 0 HA MET A 60 111.775 -6.634 2.491 1.00 0.00 H new ATOM 0 HB2 MET A 60 113.313 -9.005 1.411 1.00 0.00 H new ATOM 0 HB3 MET A 60 113.272 -8.669 3.131 1.00 0.00 H new ATOM 0 HG2 MET A 60 110.774 -9.001 1.439 1.00 0.00 H new ATOM 0 HG3 MET A 60 111.549 -10.326 2.284 1.00 0.00 H new ATOM 0 HE1 MET A 60 110.578 -9.973 5.895 1.00 0.00 H new ATOM 0 HE2 MET A 60 110.775 -11.078 4.514 1.00 0.00 H new ATOM 0 HE3 MET A 60 112.130 -10.046 5.027 1.00 0.00 H new ATOM 767 N SER A 61 114.929 -6.507 1.501 1.00 0.00 N ATOM 768 CA SER A 61 116.212 -5.868 1.764 1.00 0.00 C ATOM 769 C SER A 61 116.155 -4.375 1.450 1.00 0.00 C ATOM 770 O SER A 61 117.050 -3.618 1.827 1.00 0.00 O ATOM 771 CB SER A 61 117.316 -6.529 0.938 1.00 0.00 C ATOM 772 OG SER A 61 117.588 -7.838 1.407 1.00 0.00 O ATOM 0 H SER A 61 114.913 -7.095 0.667 1.00 0.00 H new ATOM 0 HA SER A 61 116.436 -5.991 2.824 1.00 0.00 H new ATOM 0 HB2 SER A 61 117.017 -6.569 -0.109 1.00 0.00 H new ATOM 0 HB3 SER A 61 118.222 -5.926 0.987 1.00 0.00 H new ATOM 0 HG SER A 61 117.298 -8.492 0.738 1.00 0.00 H new ATOM 778 N THR A 62 115.100 -3.956 0.757 1.00 0.00 N ATOM 779 CA THR A 62 114.934 -2.554 0.396 1.00 0.00 C ATOM 780 C THR A 62 114.747 -1.688 1.637 1.00 0.00 C ATOM 781 O THR A 62 115.322 -0.606 1.738 1.00 0.00 O ATOM 782 CB THR A 62 113.736 -2.382 -0.540 1.00 0.00 C ATOM 783 OG1 THR A 62 113.522 -1.013 -0.831 1.00 0.00 O ATOM 784 CG2 THR A 62 112.445 -2.938 0.025 1.00 0.00 C ATOM 0 H THR A 62 114.349 -4.567 0.435 1.00 0.00 H new ATOM 0 HA THR A 62 115.839 -2.232 -0.118 1.00 0.00 H new ATOM 0 HB THR A 62 113.990 -2.944 -1.439 1.00 0.00 H new ATOM 0 HG1 THR A 62 112.753 -0.923 -1.432 1.00 0.00 H new ATOM 0 HG21 THR A 62 111.638 -2.782 -0.691 1.00 0.00 H new ATOM 0 HG22 THR A 62 112.561 -4.005 0.215 1.00 0.00 H new ATOM 0 HG23 THR A 62 112.206 -2.427 0.958 1.00 0.00 H new ATOM 792 N TYR A 63 113.936 -2.168 2.576 1.00 0.00 N ATOM 793 CA TYR A 63 113.667 -1.438 3.800 1.00 0.00 C ATOM 794 C TYR A 63 114.854 -1.498 4.749 1.00 0.00 C ATOM 795 O TYR A 63 115.138 -0.537 5.464 1.00 0.00 O ATOM 796 CB TYR A 63 112.440 -2.026 4.468 1.00 0.00 C ATOM 797 CG TYR A 63 111.363 -1.010 4.762 1.00 0.00 C ATOM 798 CD1 TYR A 63 110.571 -0.497 3.743 1.00 0.00 C ATOM 799 CD2 TYR A 63 111.141 -0.559 6.057 1.00 0.00 C ATOM 800 CE1 TYR A 63 109.588 0.436 4.007 1.00 0.00 C ATOM 801 CE2 TYR A 63 110.159 0.374 6.329 1.00 0.00 C ATOM 802 CZ TYR A 63 109.385 0.868 5.301 1.00 0.00 C ATOM 803 OH TYR A 63 108.406 1.797 5.567 1.00 0.00 O ATOM 0 H TYR A 63 113.454 -3.064 2.507 1.00 0.00 H new ATOM 0 HA TYR A 63 113.491 -0.391 3.552 1.00 0.00 H new ATOM 0 HB2 TYR A 63 112.027 -2.805 3.827 1.00 0.00 H new ATOM 0 HB3 TYR A 63 112.739 -2.505 5.400 1.00 0.00 H new ATOM 0 HD1 TYR A 63 110.726 -0.833 2.728 1.00 0.00 H new ATOM 0 HD2 TYR A 63 111.746 -0.944 6.865 1.00 0.00 H new ATOM 0 HE1 TYR A 63 108.981 0.826 3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 63 109.999 0.714 7.341 1.00 0.00 H new ATOM 0 HH TYR A 63 108.393 1.993 6.527 1.00 0.00 H new ATOM 813 N THR A 64 115.556 -2.626 4.743 1.00 0.00 N ATOM 814 CA THR A 64 116.726 -2.791 5.598 1.00 0.00 C ATOM 815 C THR A 64 117.716 -1.667 5.333 1.00 0.00 C ATOM 816 O THR A 64 118.532 -1.320 6.187 1.00 0.00 O ATOM 817 CB THR A 64 117.386 -4.150 5.361 1.00 0.00 C ATOM 818 OG1 THR A 64 118.077 -4.168 4.124 1.00 0.00 O ATOM 819 CG2 THR A 64 116.401 -5.298 5.358 1.00 0.00 C ATOM 0 H THR A 64 115.338 -3.434 4.160 1.00 0.00 H new ATOM 0 HA THR A 64 116.407 -2.749 6.640 1.00 0.00 H new ATOM 0 HB THR A 64 118.075 -4.286 6.195 1.00 0.00 H new ATOM 0 HG1 THR A 64 117.585 -3.633 3.467 1.00 0.00 H new ATOM 0 HG21 THR A 64 116.933 -6.233 5.185 1.00 0.00 H new ATOM 0 HG22 THR A 64 115.892 -5.343 6.321 1.00 0.00 H new ATOM 0 HG23 THR A 64 115.667 -5.146 4.566 1.00 0.00 H new ATOM 827 N GLY A 65 117.607 -1.085 4.146 1.00 0.00 N ATOM 828 CA GLY A 65 118.462 0.018 3.771 1.00 0.00 C ATOM 829 C GLY A 65 117.855 1.345 4.174 1.00 0.00 C ATOM 830 O GLY A 65 118.570 2.329 4.366 1.00 0.00 O ATOM 0 H GLY A 65 116.934 -1.363 3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 65 119.437 -0.097 4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 65 118.627 0.003 2.694 1.00 0.00 H new ATOM 834 N ILE A 66 116.528 1.369 4.321 1.00 0.00 N ATOM 835 CA ILE A 66 115.831 2.583 4.723 1.00 0.00 C ATOM 836 C ILE A 66 115.792 2.704 6.242 1.00 0.00 C ATOM 837 O ILE A 66 115.440 3.752 6.784 1.00 0.00 O ATOM 838 CB ILE A 66 114.391 2.622 4.175 1.00 0.00 C ATOM 839 CG1 ILE A 66 114.383 2.321 2.677 1.00 0.00 C ATOM 840 CG2 ILE A 66 113.752 3.976 4.455 1.00 0.00 C ATOM 841 CD1 ILE A 66 115.103 3.362 1.846 1.00 0.00 C ATOM 0 H ILE A 66 115.921 0.564 4.167 1.00 0.00 H new ATOM 0 HA ILE A 66 116.385 3.422 4.303 1.00 0.00 H new ATOM 0 HB ILE A 66 113.805 1.855 4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 66 114.846 1.349 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 66 113.351 2.246 2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.736 3.987 4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 66 113.727 4.151 5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 66 114.336 4.760 3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 66 115.057 3.083 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 66 114.626 4.332 1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 66 116.145 3.421 2.160 1.00 0.00 H new ATOM 853 N PHE A 67 116.161 1.624 6.924 1.00 0.00 N ATOM 854 CA PHE A 67 116.179 1.604 8.375 1.00 0.00 C ATOM 855 C PHE A 67 117.173 2.625 8.909 1.00 0.00 C ATOM 856 O PHE A 67 116.805 3.561 9.618 1.00 0.00 O ATOM 857 CB PHE A 67 116.553 0.204 8.846 1.00 0.00 C ATOM 858 CG PHE A 67 115.723 -0.292 9.996 1.00 0.00 C ATOM 859 CD1 PHE A 67 114.507 -0.915 9.770 1.00 0.00 C ATOM 860 CD2 PHE A 67 116.158 -0.136 11.303 1.00 0.00 C ATOM 861 CE1 PHE A 67 113.740 -1.375 10.824 1.00 0.00 C ATOM 862 CE2 PHE A 67 115.396 -0.594 12.362 1.00 0.00 C ATOM 863 CZ PHE A 67 114.186 -1.215 12.122 1.00 0.00 C ATOM 0 H PHE A 67 116.452 0.749 6.488 1.00 0.00 H new ATOM 0 HA PHE A 67 115.191 1.865 8.754 1.00 0.00 H new ATOM 0 HB2 PHE A 67 116.451 -0.489 8.011 1.00 0.00 H new ATOM 0 HB3 PHE A 67 117.603 0.198 9.139 1.00 0.00 H new ATOM 0 HD1 PHE A 67 114.154 -1.043 8.758 1.00 0.00 H new ATOM 0 HD2 PHE A 67 117.103 0.349 11.496 1.00 0.00 H new ATOM 0 HE1 PHE A 67 112.793 -1.859 10.633 1.00 0.00 H new ATOM 0 HE2 PHE A 67 115.747 -0.466 13.375 1.00 0.00 H new ATOM 0 HZ PHE A 67 113.589 -1.575 12.947 1.00 0.00 H new ATOM 873 N THR A 68 118.434 2.439 8.546 1.00 0.00 N ATOM 874 CA THR A 68 119.500 3.339 8.969 1.00 0.00 C ATOM 875 C THR A 68 119.246 4.753 8.453 1.00 0.00 C ATOM 876 O THR A 68 119.736 5.730 9.022 1.00 0.00 O ATOM 877 CB THR A 68 120.855 2.836 8.464 1.00 0.00 C ATOM 878 OG1 THR A 68 120.752 1.505 7.990 1.00 0.00 O ATOM 879 CG2 THR A 68 121.939 2.862 9.520 1.00 0.00 C ATOM 0 H THR A 68 118.746 1.668 7.956 1.00 0.00 H new ATOM 0 HA THR A 68 119.514 3.361 10.059 1.00 0.00 H new ATOM 0 HB THR A 68 121.134 3.522 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 68 121.628 1.203 7.670 1.00 0.00 H new ATOM 0 HG21 THR A 68 122.872 2.493 9.093 1.00 0.00 H new ATOM 0 HG22 THR A 68 122.080 3.884 9.871 1.00 0.00 H new ATOM 0 HG23 THR A 68 121.647 2.228 10.357 1.00 0.00 H new ATOM 887 N ASP A 69 118.480 4.856 7.369 1.00 0.00 N ATOM 888 CA ASP A 69 118.166 6.150 6.776 1.00 0.00 C ATOM 889 C ASP A 69 117.453 7.051 7.779 1.00 0.00 C ATOM 890 O ASP A 69 117.538 8.275 7.698 1.00 0.00 O ATOM 891 CB ASP A 69 117.304 5.968 5.524 1.00 0.00 C ATOM 892 CG ASP A 69 117.747 6.859 4.380 1.00 0.00 C ATOM 893 OD1 ASP A 69 118.913 7.306 4.393 1.00 0.00 O ATOM 894 OD2 ASP A 69 116.928 7.109 3.472 1.00 0.00 O ATOM 0 H ASP A 69 118.067 4.059 6.885 1.00 0.00 H new ATOM 0 HA ASP A 69 119.103 6.628 6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 69 117.346 4.926 5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 69 116.264 6.185 5.768 1.00 0.00 H new ATOM 899 N GLN A 70 116.754 6.436 8.726 1.00 0.00 N ATOM 900 CA GLN A 70 116.033 7.183 9.751 1.00 0.00 C ATOM 901 C GLN A 70 116.861 7.298 11.031 1.00 0.00 C ATOM 902 O GLN A 70 116.370 7.766 12.057 1.00 0.00 O ATOM 903 CB GLN A 70 114.691 6.512 10.054 1.00 0.00 C ATOM 904 CG GLN A 70 113.748 6.471 8.863 1.00 0.00 C ATOM 905 CD GLN A 70 112.981 5.166 8.773 1.00 0.00 C ATOM 906 OE1 GLN A 70 112.425 4.690 9.763 1.00 0.00 O ATOM 907 NE2 GLN A 70 112.947 4.580 7.581 1.00 0.00 N ATOM 0 H GLN A 70 116.671 5.423 8.806 1.00 0.00 H new ATOM 0 HA GLN A 70 115.850 8.187 9.369 1.00 0.00 H new ATOM 0 HB2 GLN A 70 114.873 5.494 10.398 1.00 0.00 H new ATOM 0 HB3 GLN A 70 114.206 7.043 10.873 1.00 0.00 H new ATOM 0 HG2 GLN A 70 113.043 7.299 8.934 1.00 0.00 H new ATOM 0 HG3 GLN A 70 114.319 6.617 7.946 1.00 0.00 H new ATOM 0 HE21 GLN A 70 113.422 5.010 6.788 1.00 0.00 H new ATOM 0 HE22 GLN A 70 112.446 3.700 7.459 1.00 0.00 H new ATOM 916 N VAL A 71 118.121 6.869 10.962 1.00 0.00 N ATOM 917 CA VAL A 71 119.017 6.924 12.109 1.00 0.00 C ATOM 918 C VAL A 71 119.934 8.133 12.020 1.00 0.00 C ATOM 919 O VAL A 71 119.795 9.084 12.789 1.00 0.00 O ATOM 920 CB VAL A 71 119.871 5.645 12.202 1.00 0.00 C ATOM 921 CG1 VAL A 71 120.822 5.706 13.392 1.00 0.00 C ATOM 922 CG2 VAL A 71 118.980 4.414 12.285 1.00 0.00 C ATOM 0 H VAL A 71 118.542 6.479 10.119 1.00 0.00 H new ATOM 0 HA VAL A 71 118.400 7.007 13.003 1.00 0.00 H new ATOM 0 HB VAL A 71 120.474 5.573 11.297 1.00 0.00 H new ATOM 0 HG11 VAL A 71 121.412 4.791 13.433 1.00 0.00 H new ATOM 0 HG12 VAL A 71 121.488 6.562 13.282 1.00 0.00 H new ATOM 0 HG13 VAL A 71 120.247 5.809 14.312 1.00 0.00 H new ATOM 0 HG21 VAL A 71 119.600 3.520 12.350 1.00 0.00 H new ATOM 0 HG22 VAL A 71 118.347 4.482 13.170 1.00 0.00 H new ATOM 0 HG23 VAL A 71 118.354 4.357 11.395 1.00 0.00 H new ATOM 932 N LEU A 72 120.861 8.105 11.072 1.00 0.00 N ATOM 933 CA LEU A 72 121.779 9.211 10.896 1.00 0.00 C ATOM 934 C LEU A 72 121.010 10.460 10.504 1.00 0.00 C ATOM 935 O LEU A 72 121.418 11.580 10.807 1.00 0.00 O ATOM 936 CB LEU A 72 122.850 8.887 9.843 1.00 0.00 C ATOM 937 CG LEU A 72 122.416 7.936 8.723 1.00 0.00 C ATOM 938 CD1 LEU A 72 123.080 8.317 7.407 1.00 0.00 C ATOM 939 CD2 LEU A 72 122.747 6.496 9.089 1.00 0.00 C ATOM 0 H LEU A 72 120.993 7.332 10.420 1.00 0.00 H new ATOM 0 HA LEU A 72 122.290 9.386 11.843 1.00 0.00 H new ATOM 0 HB2 LEU A 72 123.184 9.821 9.392 1.00 0.00 H new ATOM 0 HB3 LEU A 72 123.711 8.452 10.350 1.00 0.00 H new ATOM 0 HG LEU A 72 121.336 8.022 8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 72 122.759 7.629 6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 72 122.795 9.334 7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 72 124.163 8.261 7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 72 122.432 5.834 8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 72 123.822 6.397 9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 72 122.225 6.224 10.006 1.00 0.00 H new ATOM 951 N SER A 73 119.880 10.252 9.840 1.00 0.00 N ATOM 952 CA SER A 73 119.033 11.350 9.411 1.00 0.00 C ATOM 953 C SER A 73 118.313 11.986 10.595 1.00 0.00 C ATOM 954 O SER A 73 117.696 13.042 10.461 1.00 0.00 O ATOM 955 CB SER A 73 118.012 10.853 8.397 1.00 0.00 C ATOM 956 OG SER A 73 117.342 11.934 7.772 1.00 0.00 O ATOM 0 H SER A 73 119.531 9.328 9.588 1.00 0.00 H new ATOM 0 HA SER A 73 119.668 12.106 8.950 1.00 0.00 H new ATOM 0 HB2 SER A 73 118.511 10.246 7.642 1.00 0.00 H new ATOM 0 HB3 SER A 73 117.286 10.210 8.894 1.00 0.00 H new ATOM 0 HG SER A 73 117.293 12.691 8.392 1.00 0.00 H new ATOM 962 N VAL A 74 118.382 11.334 11.754 1.00 0.00 N ATOM 963 CA VAL A 74 117.716 11.841 12.945 1.00 0.00 C ATOM 964 C VAL A 74 118.677 12.055 14.112 1.00 0.00 C ATOM 965 O VAL A 74 118.376 12.833 15.018 1.00 0.00 O ATOM 966 CB VAL A 74 116.602 10.882 13.404 1.00 0.00 C ATOM 967 CG1 VAL A 74 115.779 11.509 14.521 1.00 0.00 C ATOM 968 CG2 VAL A 74 115.717 10.492 12.229 1.00 0.00 C ATOM 0 H VAL A 74 118.889 10.460 11.890 1.00 0.00 H new ATOM 0 HA VAL A 74 117.294 12.805 12.662 1.00 0.00 H new ATOM 0 HB VAL A 74 117.066 9.977 13.795 1.00 0.00 H new ATOM 0 HG11 VAL A 74 114.998 10.815 14.831 1.00 0.00 H new ATOM 0 HG12 VAL A 74 116.426 11.729 15.370 1.00 0.00 H new ATOM 0 HG13 VAL A 74 115.323 12.432 14.163 1.00 0.00 H new ATOM 0 HG21 VAL A 74 114.935 9.814 12.572 1.00 0.00 H new ATOM 0 HG22 VAL A 74 115.261 11.386 11.804 1.00 0.00 H new ATOM 0 HG23 VAL A 74 116.320 9.996 11.468 1.00 0.00 H new ATOM 978 N LEU A 75 119.815 11.358 14.123 1.00 0.00 N ATOM 979 CA LEU A 75 120.754 11.507 15.240 1.00 0.00 C ATOM 980 C LEU A 75 122.184 11.843 14.809 1.00 0.00 C ATOM 981 O LEU A 75 123.026 12.123 15.662 1.00 0.00 O ATOM 982 CB LEU A 75 120.759 10.245 16.108 1.00 0.00 C ATOM 983 CG LEU A 75 121.066 8.940 15.368 1.00 0.00 C ATOM 984 CD1 LEU A 75 122.301 8.268 15.956 1.00 0.00 C ATOM 985 CD2 LEU A 75 119.867 7.998 15.421 1.00 0.00 C ATOM 0 H LEU A 75 120.105 10.704 13.396 1.00 0.00 H new ATOM 0 HA LEU A 75 120.395 12.360 15.816 1.00 0.00 H new ATOM 0 HB2 LEU A 75 121.494 10.374 16.902 1.00 0.00 H new ATOM 0 HB3 LEU A 75 119.785 10.150 16.587 1.00 0.00 H new ATOM 0 HG LEU A 75 121.269 9.178 14.324 1.00 0.00 H new ATOM 0 HD11 LEU A 75 122.503 7.342 15.417 1.00 0.00 H new ATOM 0 HD12 LEU A 75 123.157 8.936 15.864 1.00 0.00 H new ATOM 0 HD13 LEU A 75 122.127 8.044 17.009 1.00 0.00 H new ATOM 0 HD21 LEU A 75 120.105 7.076 14.890 1.00 0.00 H new ATOM 0 HD22 LEU A 75 119.631 7.768 16.460 1.00 0.00 H new ATOM 0 HD23 LEU A 75 119.008 8.476 14.951 1.00 0.00 H new ATOM 997 N LYS A 76 122.478 11.824 13.511 1.00 0.00 N ATOM 998 CA LYS A 76 123.833 12.142 13.055 1.00 0.00 C ATOM 999 C LYS A 76 123.897 13.521 12.405 1.00 0.00 C ATOM 1000 O LYS A 76 124.982 14.048 12.160 1.00 0.00 O ATOM 1001 CB LYS A 76 124.321 11.085 12.071 1.00 0.00 C ATOM 1002 CG LYS A 76 125.399 10.172 12.639 1.00 0.00 C ATOM 1003 CD LYS A 76 124.865 8.775 12.920 1.00 0.00 C ATOM 1004 CE LYS A 76 125.904 7.707 12.614 1.00 0.00 C ATOM 1005 NZ LYS A 76 125.636 6.442 13.352 1.00 0.00 N ATOM 0 H LYS A 76 121.815 11.598 12.770 1.00 0.00 H new ATOM 0 HA LYS A 76 124.482 12.150 13.931 1.00 0.00 H new ATOM 0 HB2 LYS A 76 123.473 10.478 11.753 1.00 0.00 H new ATOM 0 HB3 LYS A 76 124.709 11.581 11.181 1.00 0.00 H new ATOM 0 HG2 LYS A 76 126.230 10.109 11.936 1.00 0.00 H new ATOM 0 HG3 LYS A 76 125.792 10.603 13.560 1.00 0.00 H new ATOM 0 HD2 LYS A 76 124.565 8.703 13.965 1.00 0.00 H new ATOM 0 HD3 LYS A 76 123.973 8.598 12.319 1.00 0.00 H new ATOM 0 HE2 LYS A 76 125.914 7.507 11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 76 126.894 8.078 12.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 126.367 5.741 13.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 125.652 6.627 14.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 124.702 6.073 13.081 1.00 0.00 H new ATOM 1019 N GLY A 77 122.736 14.094 12.122 1.00 0.00 N ATOM 1020 CA GLY A 77 122.689 15.398 11.492 1.00 0.00 C ATOM 1021 C GLY A 77 122.028 15.331 10.134 1.00 0.00 C ATOM 1022 O GLY A 77 122.485 15.957 9.178 1.00 0.00 O ATOM 0 H GLY A 77 121.825 13.679 12.317 1.00 0.00 H new ATOM 0 HA2 GLY A 77 122.143 16.093 12.130 1.00 0.00 H new ATOM 0 HA3 GLY A 77 123.701 15.790 11.387 1.00 0.00 H new ATOM 1026 N GLU A 78 120.947 14.564 10.055 1.00 0.00 N ATOM 1027 CA GLU A 78 120.211 14.402 8.817 1.00 0.00 C ATOM 1028 C GLU A 78 121.073 13.730 7.746 1.00 0.00 C ATOM 1029 O GLU A 78 121.253 14.273 6.656 1.00 0.00 O ATOM 1030 CB GLU A 78 119.718 15.760 8.339 1.00 0.00 C ATOM 1031 CG GLU A 78 118.369 15.707 7.639 1.00 0.00 C ATOM 1032 CD GLU A 78 118.352 16.485 6.338 1.00 0.00 C ATOM 1033 OE1 GLU A 78 119.226 16.232 5.483 1.00 0.00 O ATOM 1034 OE2 GLU A 78 117.464 17.348 6.175 1.00 0.00 O ATOM 0 H GLU A 78 120.562 14.043 10.843 1.00 0.00 H new ATOM 0 HA GLU A 78 119.354 13.754 9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 78 119.648 16.433 9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 78 120.455 16.185 7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 78 118.109 14.668 7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 78 117.603 16.105 8.305 1.00 0.00 H new ATOM 1041 N GLU A 79 121.601 12.542 8.060 1.00 0.00 N ATOM 1042 CA GLU A 79 122.435 11.812 7.114 1.00 0.00 C ATOM 1043 C GLU A 79 123.672 12.619 6.737 1.00 0.00 C ATOM 1044 O GLU A 79 123.599 13.387 5.754 1.00 0.00 O ATOM 1045 CB GLU A 79 121.638 11.467 5.855 1.00 0.00 C ATOM 1046 CG GLU A 79 122.269 10.366 5.019 1.00 0.00 C ATOM 1047 CD GLU A 79 122.717 10.853 3.655 1.00 0.00 C ATOM 1048 OE1 GLU A 79 123.617 11.715 3.600 1.00 0.00 O ATOM 1049 OE2 GLU A 79 122.167 10.370 2.643 1.00 0.00 O ATOM 0 H GLU A 79 121.464 12.073 8.955 1.00 0.00 H new ATOM 0 HA GLU A 79 122.758 10.890 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 79 120.632 11.161 6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 79 121.535 12.363 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 79 123.126 9.955 5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 79 121.552 9.554 4.893 1.00 0.00 H new TER 1056 GLU A 79