USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 799 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 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 TYR OH : rot -38:sc= -4.82! USER MOD Set 2.1: A 50 LYS NZ :NH3+ -166:sc= 0.00593 (180deg=-0.111) USER MOD Set 2.2: A 70 GLN : amide:sc= -5.18! K(o=-5.2!,f=-1.2) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -146:sc= -0.0827 (180deg=-1.2) USER MOD Single : A 36 ASN : amide:sc= -0.932 K(o=-0.93,f=-2.5) USER MOD Single : A 39 LYS NZ :NH3+ -157:sc= -0.121 (180deg=-0.555) USER MOD Single : A 42 HIS : no HE2:sc= -16.6! C(o=-17!,f=-19!) USER MOD Single : A 45 CYS SG : rot 20:sc= -4.14! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -3.35! C(o=-3.3!,f=-11!) USER MOD Single : A 52 MET CE :methyl -127:sc= -12.9! (180deg=-21.9!) USER MOD Single : A 55 MET CE :methyl 160:sc= -5.64! (180deg=-7.88!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 66:sc= 0.0722 USER MOD Single : A 62 MET CE :methyl 179:sc= -19.9! (180deg=-20!) USER MOD Single : A 65 ASN : amide:sc= -2.09! C(o=-2.1!,f=-5.8!) USER MOD Single : A 72 SER OG : rot -98:sc= -0.37! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -15.9! C(o=-16!,f=-14!) USER MOD Single : A 85 MET CE :methyl -132:sc= -0.0456 (180deg=-2.72!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0515 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 162:sc= -0.0102 (180deg=-0.545) USER MOD Single : A 95 GLN : amide:sc= -2.32! C(o=-2.3!,f=-3.6!) USER MOD Single : A 104 SER OG : rot 81:sc= -1.16! USER MOD Single : A 106 MET CE :methyl -143:sc= -5.43! (180deg=-8.51!) USER MOD Single : A 108 LYS NZ :NH3+ 155:sc= 0.0647 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0732! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HE2:sc= -25.6! C(o=-26!,f=-28!) USER MOD Single : A 126 MET CE :methyl 138:sc= -14.9! (180deg=-17.6!) USER MOD Single : A 131 LYS NZ :NH3+ -162:sc= -0.136 (180deg=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 89.008 -22.665 10.577 1.00 0.00 N ATOM 2 CA GLY A 28 88.038 -21.837 9.807 1.00 0.00 C ATOM 3 C GLY A 28 88.624 -20.442 9.579 1.00 0.00 C ATOM 4 O GLY A 28 89.303 -20.195 8.603 1.00 0.00 O ATOM 0 HA2 GLY A 28 87.818 -22.311 8.851 1.00 0.00 H new ATOM 0 HA3 GLY A 28 87.096 -21.763 10.350 1.00 0.00 H new ATOM 10 N SER A 29 88.366 -19.527 10.474 1.00 0.00 N ATOM 11 CA SER A 29 88.908 -18.148 10.310 1.00 0.00 C ATOM 12 C SER A 29 90.427 -18.194 10.117 1.00 0.00 C ATOM 13 O SER A 29 91.118 -18.978 10.737 1.00 0.00 O ATOM 14 CB SER A 29 88.554 -17.426 11.610 1.00 0.00 C ATOM 15 OG SER A 29 89.594 -17.617 12.556 1.00 0.00 O ATOM 0 H SER A 29 87.803 -19.675 11.312 1.00 0.00 H new ATOM 0 HA SER A 29 88.493 -17.643 9.437 1.00 0.00 H new ATOM 0 HB2 SER A 29 88.411 -16.362 11.420 1.00 0.00 H new ATOM 0 HB3 SER A 29 87.613 -17.808 12.006 1.00 0.00 H new ATOM 0 HG SER A 29 89.368 -17.153 13.389 1.00 0.00 H new ATOM 21 N GLY A 30 90.952 -17.359 9.261 1.00 0.00 N ATOM 22 CA GLY A 30 92.426 -17.356 9.031 1.00 0.00 C ATOM 23 C GLY A 30 92.772 -16.333 7.943 1.00 0.00 C ATOM 24 O GLY A 30 92.006 -15.427 7.684 1.00 0.00 O ATOM 0 H GLY A 30 90.425 -16.680 8.712 1.00 0.00 H new ATOM 0 HA2 GLY A 30 92.948 -17.110 9.956 1.00 0.00 H new ATOM 0 HA3 GLY A 30 92.760 -18.349 8.731 1.00 0.00 H new ATOM 28 N PRO A 31 93.922 -16.509 7.338 1.00 0.00 N ATOM 29 CA PRO A 31 94.373 -15.586 6.269 1.00 0.00 C ATOM 30 C PRO A 31 93.393 -15.604 5.092 1.00 0.00 C ATOM 31 O PRO A 31 92.338 -16.206 5.160 1.00 0.00 O ATOM 32 CB PRO A 31 95.729 -16.172 5.866 1.00 0.00 C ATOM 33 CG PRO A 31 96.005 -17.420 6.728 1.00 0.00 C ATOM 34 CD PRO A 31 94.826 -17.631 7.688 1.00 0.00 C ATOM 0 HA PRO A 31 94.433 -14.545 6.587 1.00 0.00 H new ATOM 0 HB2 PRO A 31 95.727 -16.436 4.809 1.00 0.00 H new ATOM 0 HB3 PRO A 31 96.517 -15.433 6.008 1.00 0.00 H new ATOM 0 HG2 PRO A 31 96.135 -18.296 6.092 1.00 0.00 H new ATOM 0 HG3 PRO A 31 96.931 -17.293 7.290 1.00 0.00 H new ATOM 0 HD2 PRO A 31 94.348 -18.599 7.537 1.00 0.00 H new ATOM 0 HD3 PRO A 31 95.140 -17.589 8.731 1.00 0.00 H new ATOM 42 N LYS A 32 93.731 -14.950 4.014 1.00 0.00 N ATOM 43 CA LYS A 32 92.816 -14.932 2.837 1.00 0.00 C ATOM 44 C LYS A 32 92.802 -16.304 2.157 1.00 0.00 C ATOM 45 O LYS A 32 93.808 -16.773 1.661 1.00 0.00 O ATOM 46 CB LYS A 32 93.395 -13.873 1.897 1.00 0.00 C ATOM 47 CG LYS A 32 92.290 -13.349 0.977 1.00 0.00 C ATOM 48 CD LYS A 32 92.871 -12.302 0.024 1.00 0.00 C ATOM 49 CE LYS A 32 93.232 -11.039 0.810 1.00 0.00 C ATOM 50 NZ LYS A 32 91.921 -10.434 1.181 1.00 0.00 N ATOM 0 H LYS A 32 94.600 -14.428 3.897 1.00 0.00 H new ATOM 0 HA LYS A 32 91.787 -14.706 3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 32 93.822 -13.053 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 32 94.204 -14.300 1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 32 91.855 -14.171 0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 32 91.487 -12.911 1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 32 93.756 -12.699 -0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 32 92.148 -12.063 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 32 93.822 -11.279 1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 32 93.827 -10.354 0.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 92.004 -9.397 1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 91.198 -10.724 0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 91.645 -10.758 2.130 1.00 0.00 H new ATOM 64 N GLY A 33 91.670 -16.952 2.130 1.00 0.00 N ATOM 65 CA GLY A 33 91.592 -18.293 1.484 1.00 0.00 C ATOM 66 C GLY A 33 91.173 -18.130 0.021 1.00 0.00 C ATOM 67 O GLY A 33 91.794 -18.666 -0.875 1.00 0.00 O ATOM 0 H GLY A 33 90.795 -16.611 2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 33 92.558 -18.794 1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 33 90.874 -18.921 2.011 1.00 0.00 H new ATOM 71 N GLY A 34 90.124 -17.394 -0.228 1.00 0.00 N ATOM 72 CA GLY A 34 89.671 -17.199 -1.634 1.00 0.00 C ATOM 73 C GLY A 34 88.161 -16.950 -1.656 1.00 0.00 C ATOM 74 O GLY A 34 87.670 -16.117 -2.391 1.00 0.00 O ATOM 0 H GLY A 34 89.563 -16.921 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 34 90.196 -16.355 -2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 34 89.914 -18.078 -2.230 1.00 0.00 H new ATOM 78 N GLY A 35 87.419 -17.668 -0.858 1.00 0.00 N ATOM 79 CA GLY A 35 85.943 -17.472 -0.836 1.00 0.00 C ATOM 80 C GLY A 35 85.549 -16.674 0.409 1.00 0.00 C ATOM 81 O GLY A 35 86.370 -16.389 1.257 1.00 0.00 O ATOM 0 H GLY A 35 87.772 -18.382 -0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 35 85.623 -16.945 -1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 35 85.438 -18.438 -0.836 1.00 0.00 H new ATOM 85 N ASN A 36 84.300 -16.312 0.527 1.00 0.00 N ATOM 86 CA ASN A 36 83.866 -15.532 1.721 1.00 0.00 C ATOM 87 C ASN A 36 84.601 -14.197 1.761 1.00 0.00 C ATOM 88 O ASN A 36 84.967 -13.704 2.806 1.00 0.00 O ATOM 89 CB ASN A 36 84.278 -16.386 2.907 1.00 0.00 C ATOM 90 CG ASN A 36 83.084 -16.575 3.845 1.00 0.00 C ATOM 91 OD1 ASN A 36 82.965 -15.891 4.841 1.00 0.00 O ATOM 92 ND2 ASN A 36 82.188 -17.483 3.567 1.00 0.00 N ATOM 0 H ASN A 36 83.565 -16.521 -0.148 1.00 0.00 H new ATOM 0 HA ASN A 36 82.797 -15.317 1.714 1.00 0.00 H new ATOM 0 HB2 ASN A 36 84.639 -17.355 2.562 1.00 0.00 H new ATOM 0 HB3 ASN A 36 85.101 -15.911 3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 36 81.389 -17.617 4.186 1.00 0.00 H new ATOM 0 HD22 ASN A 36 82.287 -18.058 2.730 1.00 0.00 H new ATOM 99 N ALA A 37 84.816 -13.619 0.622 1.00 0.00 N ATOM 100 CA ALA A 37 85.529 -12.312 0.549 1.00 0.00 C ATOM 101 C ALA A 37 84.817 -11.453 -0.481 1.00 0.00 C ATOM 102 O ALA A 37 84.226 -11.974 -1.373 1.00 0.00 O ATOM 103 CB ALA A 37 86.947 -12.651 0.089 1.00 0.00 C ATOM 0 H ALA A 37 84.526 -13.998 -0.279 1.00 0.00 H new ATOM 0 HA ALA A 37 85.549 -11.770 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.533 -11.735 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.414 -13.321 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 37 86.907 -13.139 -0.885 1.00 0.00 H new ATOM 109 N VAL A 38 84.830 -10.162 -0.353 1.00 0.00 N ATOM 110 CA VAL A 38 84.104 -9.303 -1.348 1.00 0.00 C ATOM 111 C VAL A 38 84.811 -7.960 -1.518 1.00 0.00 C ATOM 112 O VAL A 38 85.428 -7.474 -0.591 1.00 0.00 O ATOM 113 CB VAL A 38 82.715 -9.088 -0.739 1.00 0.00 C ATOM 114 CG1 VAL A 38 81.871 -10.355 -0.885 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.860 -8.746 0.746 1.00 0.00 C ATOM 0 H VAL A 38 85.308 -9.655 0.392 1.00 0.00 H new ATOM 0 HA VAL A 38 84.063 -9.768 -2.333 1.00 0.00 H new ATOM 0 HB VAL A 38 82.221 -8.270 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 38 80.886 -10.189 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.762 -10.600 -1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.362 -11.181 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.873 -8.592 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.361 -9.566 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 38 83.450 -7.836 0.854 1.00 0.00 H new ATOM 125 N LYS A 39 84.737 -7.321 -2.672 1.00 0.00 N ATOM 126 CA LYS A 39 85.426 -6.021 -2.772 1.00 0.00 C ATOM 127 C LYS A 39 84.440 -4.937 -2.330 1.00 0.00 C ATOM 128 O LYS A 39 83.661 -4.426 -3.110 1.00 0.00 O ATOM 129 CB LYS A 39 85.776 -5.913 -4.245 1.00 0.00 C ATOM 130 CG LYS A 39 87.239 -5.493 -4.407 1.00 0.00 C ATOM 131 CD LYS A 39 87.471 -4.153 -3.708 1.00 0.00 C ATOM 132 CE LYS A 39 88.922 -3.715 -3.923 1.00 0.00 C ATOM 133 NZ LYS A 39 88.826 -2.447 -4.701 1.00 0.00 N ATOM 0 H LYS A 39 84.246 -7.641 -3.507 1.00 0.00 H new ATOM 0 HA LYS A 39 86.316 -5.918 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 39 85.607 -6.870 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.125 -5.186 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 39 87.895 -6.254 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 39 87.489 -5.410 -5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 39 86.789 -3.400 -4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 39 87.261 -4.244 -2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 39 89.433 -3.558 -2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 39 89.487 -4.471 -4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 89.716 -2.287 -5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 88.041 -2.515 -5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 88.655 -1.653 -4.051 1.00 0.00 H new ATOM 147 N VAL A 40 84.431 -4.638 -1.055 1.00 0.00 N ATOM 148 CA VAL A 40 83.455 -3.653 -0.511 1.00 0.00 C ATOM 149 C VAL A 40 84.067 -2.276 -0.239 1.00 0.00 C ATOM 150 O VAL A 40 85.227 -2.138 0.097 1.00 0.00 O ATOM 151 CB VAL A 40 82.991 -4.277 0.801 1.00 0.00 C ATOM 152 CG1 VAL A 40 82.305 -5.613 0.517 1.00 0.00 C ATOM 153 CG2 VAL A 40 84.199 -4.506 1.710 1.00 0.00 C ATOM 0 H VAL A 40 85.065 -5.039 -0.364 1.00 0.00 H new ATOM 0 HA VAL A 40 82.655 -3.471 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 40 82.287 -3.606 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 40 81.974 -6.058 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 40 81.444 -5.449 -0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 40 83.007 -6.285 0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 40 83.869 -4.952 2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 40 84.903 -5.177 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 40 84.687 -3.553 1.913 1.00 0.00 H new ATOM 163 N ARG A 41 83.252 -1.261 -0.354 1.00 0.00 N ATOM 164 CA ARG A 41 83.697 0.136 -0.078 1.00 0.00 C ATOM 165 C ARG A 41 82.664 0.777 0.859 1.00 0.00 C ATOM 166 O ARG A 41 81.504 0.416 0.830 1.00 0.00 O ATOM 167 CB ARG A 41 83.712 0.821 -1.445 1.00 0.00 C ATOM 168 CG ARG A 41 84.352 -0.113 -2.477 1.00 0.00 C ATOM 169 CD ARG A 41 84.285 0.527 -3.865 1.00 0.00 C ATOM 170 NE ARG A 41 85.692 0.530 -4.354 1.00 0.00 N ATOM 171 CZ ARG A 41 85.951 0.222 -5.595 1.00 0.00 C ATOM 172 NH1 ARG A 41 85.074 0.481 -6.529 1.00 0.00 N ATOM 173 NH2 ARG A 41 87.083 -0.347 -5.904 1.00 0.00 N ATOM 0 H ARG A 41 82.275 -1.344 -0.634 1.00 0.00 H new ATOM 0 HA ARG A 41 84.675 0.208 0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 41 82.696 1.074 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 41 84.270 1.756 -1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 41 85.389 -0.312 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 41 83.835 -1.072 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 41 83.636 -0.042 -4.531 1.00 0.00 H new ATOM 0 HD3 ARG A 41 83.882 1.539 -3.815 1.00 0.00 H new ATOM 0 HE ARG A 41 86.452 0.773 -3.719 1.00 0.00 H new ATOM 0 HH11 ARG A 41 84.187 0.924 -6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 41 85.276 0.240 -7.499 1.00 0.00 H new ATOM 0 HH21 ARG A 41 87.767 -0.552 -5.175 1.00 0.00 H new ATOM 0 HH22 ARG A 41 87.285 -0.588 -6.874 1.00 0.00 H new ATOM 187 N HIS A 42 83.050 1.682 1.722 1.00 0.00 N ATOM 188 CA HIS A 42 82.030 2.252 2.660 1.00 0.00 C ATOM 189 C HIS A 42 82.049 3.788 2.730 1.00 0.00 C ATOM 190 O HIS A 42 83.085 4.417 2.812 1.00 0.00 O ATOM 191 CB HIS A 42 82.397 1.661 4.022 1.00 0.00 C ATOM 192 CG HIS A 42 82.635 0.183 3.879 1.00 0.00 C ATOM 193 ND1 HIS A 42 81.711 -0.759 4.301 1.00 0.00 N ATOM 194 CD2 HIS A 42 83.688 -0.530 3.362 1.00 0.00 C ATOM 195 CE1 HIS A 42 82.221 -1.976 4.034 1.00 0.00 C ATOM 196 NE2 HIS A 42 83.424 -1.893 3.462 1.00 0.00 N ATOM 0 H HIS A 42 83.999 2.044 1.819 1.00 0.00 H new ATOM 0 HA HIS A 42 81.023 2.002 2.325 1.00 0.00 H new ATOM 0 HB2 HIS A 42 83.290 2.148 4.413 1.00 0.00 H new ATOM 0 HB3 HIS A 42 81.595 1.844 4.738 1.00 0.00 H new ATOM 0 HD1 HIS A 42 80.808 -0.566 4.735 1.00 0.00 H new ATOM 0 HD2 HIS A 42 84.585 -0.099 2.942 1.00 0.00 H new ATOM 0 HE1 HIS A 42 81.718 -2.906 4.256 1.00 0.00 H new ATOM 204 N ILE A 43 80.877 4.376 2.738 1.00 0.00 N ATOM 205 CA ILE A 43 80.740 5.862 2.846 1.00 0.00 C ATOM 206 C ILE A 43 79.661 6.159 3.904 1.00 0.00 C ATOM 207 O ILE A 43 78.535 5.733 3.763 1.00 0.00 O ATOM 208 CB ILE A 43 80.313 6.324 1.435 1.00 0.00 C ATOM 209 CG1 ILE A 43 81.323 7.342 0.903 1.00 0.00 C ATOM 210 CG2 ILE A 43 78.917 6.966 1.459 1.00 0.00 C ATOM 211 CD1 ILE A 43 80.996 7.669 -0.555 1.00 0.00 C ATOM 0 H ILE A 43 79.990 3.876 2.673 1.00 0.00 H new ATOM 0 HA ILE A 43 81.650 6.377 3.153 1.00 0.00 H new ATOM 0 HB ILE A 43 80.281 5.449 0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 43 81.293 8.249 1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 43 82.334 6.942 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 43 78.644 7.281 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 43 78.189 6.240 1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 43 78.926 7.833 2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 43 81.715 8.394 -0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 43 81.048 6.759 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 43 79.991 8.087 -0.618 1.00 0.00 H new ATOM 223 N LEU A 44 79.983 6.856 4.966 1.00 0.00 N ATOM 224 CA LEU A 44 78.949 7.119 6.012 1.00 0.00 C ATOM 225 C LEU A 44 78.768 8.627 6.226 1.00 0.00 C ATOM 226 O LEU A 44 79.682 9.396 6.063 1.00 0.00 O ATOM 227 CB LEU A 44 79.513 6.435 7.274 1.00 0.00 C ATOM 228 CG LEU A 44 79.346 7.332 8.505 1.00 0.00 C ATOM 229 CD1 LEU A 44 77.857 7.538 8.792 1.00 0.00 C ATOM 230 CD2 LEU A 44 80.001 6.670 9.717 1.00 0.00 C ATOM 0 H LEU A 44 80.905 7.250 5.152 1.00 0.00 H new ATOM 0 HA LEU A 44 77.964 6.738 5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 44 79.001 5.487 7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 44 80.568 6.206 7.127 1.00 0.00 H new ATOM 0 HG LEU A 44 79.820 8.294 8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 44 77.740 8.176 9.668 1.00 0.00 H new ATOM 0 HD12 LEU A 44 77.383 8.011 7.932 1.00 0.00 H new ATOM 0 HD13 LEU A 44 77.386 6.573 8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 44 79.881 7.310 10.591 1.00 0.00 H new ATOM 0 HD22 LEU A 44 79.528 5.706 9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 44 81.063 6.520 9.520 1.00 0.00 H new ATOM 242 N CYS A 45 77.594 9.047 6.606 1.00 0.00 N ATOM 243 CA CYS A 45 77.375 10.501 6.849 1.00 0.00 C ATOM 244 C CYS A 45 76.881 10.729 8.279 1.00 0.00 C ATOM 245 O CYS A 45 75.737 10.473 8.599 1.00 0.00 O ATOM 246 CB CYS A 45 76.304 10.919 5.853 1.00 0.00 C ATOM 247 SG CYS A 45 76.322 12.720 5.686 1.00 0.00 S ATOM 0 H CYS A 45 76.780 8.451 6.758 1.00 0.00 H new ATOM 0 HA CYS A 45 78.293 11.076 6.727 1.00 0.00 H new ATOM 0 HB2 CYS A 45 76.486 10.450 4.886 1.00 0.00 H new ATOM 0 HB3 CYS A 45 75.324 10.582 6.191 1.00 0.00 H new ATOM 0 HG CYS A 45 77.464 13.183 6.099 1.00 0.00 H new ATOM 253 N GLU A 46 77.732 11.211 9.141 1.00 0.00 N ATOM 254 CA GLU A 46 77.309 11.461 10.548 1.00 0.00 C ATOM 255 C GLU A 46 76.021 12.291 10.574 1.00 0.00 C ATOM 256 O GLU A 46 75.312 12.324 11.561 1.00 0.00 O ATOM 257 CB GLU A 46 78.462 12.244 11.175 1.00 0.00 C ATOM 258 CG GLU A 46 78.607 11.849 12.647 1.00 0.00 C ATOM 259 CD GLU A 46 79.820 10.931 12.814 1.00 0.00 C ATOM 260 OE1 GLU A 46 80.520 10.719 11.838 1.00 0.00 O ATOM 261 OE2 GLU A 46 80.029 10.454 13.918 1.00 0.00 O ATOM 0 H GLU A 46 78.703 11.443 8.932 1.00 0.00 H new ATOM 0 HA GLU A 46 77.103 10.536 11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 46 79.389 12.038 10.639 1.00 0.00 H new ATOM 0 HB3 GLU A 46 78.276 13.315 11.091 1.00 0.00 H new ATOM 0 HG2 GLU A 46 78.725 12.740 13.263 1.00 0.00 H new ATOM 0 HG3 GLU A 46 77.705 11.342 12.989 1.00 0.00 H new ATOM 268 N LYS A 47 75.712 12.963 9.498 1.00 0.00 N ATOM 269 CA LYS A 47 74.470 13.789 9.465 1.00 0.00 C ATOM 270 C LYS A 47 73.529 13.278 8.369 1.00 0.00 C ATOM 271 O LYS A 47 72.476 13.835 8.133 1.00 0.00 O ATOM 272 CB LYS A 47 74.938 15.215 9.155 1.00 0.00 C ATOM 273 CG LYS A 47 76.023 15.183 8.075 1.00 0.00 C ATOM 274 CD LYS A 47 76.414 16.614 7.703 1.00 0.00 C ATOM 275 CE LYS A 47 77.436 17.140 8.712 1.00 0.00 C ATOM 276 NZ LYS A 47 76.970 18.515 9.050 1.00 0.00 N ATOM 0 H LYS A 47 76.265 12.976 8.641 1.00 0.00 H new ATOM 0 HA LYS A 47 73.920 13.743 10.405 1.00 0.00 H new ATOM 0 HB2 LYS A 47 74.095 15.819 8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 47 75.326 15.685 10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.895 14.639 8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 47 75.659 14.653 7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 47 76.834 16.638 6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 47 75.531 17.254 7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 47 77.477 16.508 9.599 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.439 17.157 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 77.621 18.943 9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 76.948 19.096 8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 76.015 18.467 9.460 1.00 0.00 H new ATOM 290 N HIS A 48 73.901 12.217 7.704 1.00 0.00 N ATOM 291 CA HIS A 48 73.030 11.660 6.627 1.00 0.00 C ATOM 292 C HIS A 48 72.753 12.714 5.550 1.00 0.00 C ATOM 293 O HIS A 48 71.887 12.546 4.714 1.00 0.00 O ATOM 294 CB HIS A 48 71.741 11.259 7.340 1.00 0.00 C ATOM 295 CG HIS A 48 72.052 10.200 8.362 1.00 0.00 C ATOM 296 ND1 HIS A 48 73.325 9.669 8.508 1.00 0.00 N ATOM 297 CD2 HIS A 48 71.271 9.561 9.293 1.00 0.00 C ATOM 298 CE1 HIS A 48 73.274 8.754 9.494 1.00 0.00 C ATOM 299 NE2 HIS A 48 72.044 8.650 10.008 1.00 0.00 N ATOM 0 H HIS A 48 74.772 11.710 7.860 1.00 0.00 H new ATOM 0 HA HIS A 48 73.496 10.818 6.115 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.293 12.127 7.823 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.014 10.884 6.620 1.00 0.00 H new ATOM 0 HD1 HIS A 48 74.150 9.925 7.966 1.00 0.00 H new ATOM 0 HD2 HIS A 48 70.217 9.738 9.447 1.00 0.00 H new ATOM 0 HE1 HIS A 48 74.122 8.175 9.829 1.00 0.00 H new ATOM 307 N GLY A 49 73.485 13.795 5.556 1.00 0.00 N ATOM 308 CA GLY A 49 73.264 14.851 4.525 1.00 0.00 C ATOM 309 C GLY A 49 73.885 14.396 3.202 1.00 0.00 C ATOM 310 O GLY A 49 73.195 14.164 2.230 1.00 0.00 O ATOM 0 H GLY A 49 74.226 13.993 6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 49 72.197 15.034 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 49 73.712 15.791 4.847 1.00 0.00 H new ATOM 314 N LYS A 50 75.182 14.258 3.161 1.00 0.00 N ATOM 315 CA LYS A 50 75.845 13.806 1.903 1.00 0.00 C ATOM 316 C LYS A 50 75.609 12.316 1.700 1.00 0.00 C ATOM 317 O LYS A 50 75.752 11.803 0.612 1.00 0.00 O ATOM 318 CB LYS A 50 77.337 14.081 2.098 1.00 0.00 C ATOM 319 CG LYS A 50 77.542 15.521 2.567 1.00 0.00 C ATOM 320 CD LYS A 50 77.770 15.529 4.079 1.00 0.00 C ATOM 321 CE LYS A 50 79.246 15.802 4.371 1.00 0.00 C ATOM 322 NZ LYS A 50 79.243 16.596 5.633 1.00 0.00 N ATOM 0 H LYS A 50 75.812 14.438 3.943 1.00 0.00 H new ATOM 0 HA LYS A 50 75.452 14.324 1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.751 13.388 2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 50 77.872 13.914 1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 50 78.396 15.965 2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 50 76.671 16.126 2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 50 77.149 16.292 4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 50 77.475 14.571 4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 50 79.804 14.873 4.489 1.00 0.00 H new ATOM 0 HE3 LYS A 50 79.715 16.355 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 80.180 17.024 5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 78.526 17.347 5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 79.021 15.972 6.435 1.00 0.00 H new ATOM 336 N ILE A 51 75.243 11.613 2.734 1.00 0.00 N ATOM 337 CA ILE A 51 74.993 10.159 2.570 1.00 0.00 C ATOM 338 C ILE A 51 74.122 9.959 1.332 1.00 0.00 C ATOM 339 O ILE A 51 74.265 8.999 0.600 1.00 0.00 O ATOM 340 CB ILE A 51 74.290 9.724 3.872 1.00 0.00 C ATOM 341 CG1 ILE A 51 74.941 8.443 4.408 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.796 9.475 3.640 1.00 0.00 C ATOM 343 CD1 ILE A 51 75.177 7.462 3.258 1.00 0.00 C ATOM 0 H ILE A 51 75.108 11.979 3.676 1.00 0.00 H new ATOM 0 HA ILE A 51 75.894 9.564 2.419 1.00 0.00 H new ATOM 0 HB ILE A 51 74.397 10.529 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 51 75.887 8.681 4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 51 74.300 7.986 5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 51 72.328 9.170 4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.326 10.391 3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 51 72.669 8.687 2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 51 75.640 6.554 3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 51 74.224 7.214 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 51 75.836 7.919 2.519 1.00 0.00 H new ATOM 355 N MET A 52 73.245 10.887 1.077 1.00 0.00 N ATOM 356 CA MET A 52 72.391 10.783 -0.130 1.00 0.00 C ATOM 357 C MET A 52 73.126 11.454 -1.279 1.00 0.00 C ATOM 358 O MET A 52 73.139 10.973 -2.393 1.00 0.00 O ATOM 359 CB MET A 52 71.078 11.500 0.245 1.00 0.00 C ATOM 360 CG MET A 52 70.853 12.746 -0.624 1.00 0.00 C ATOM 361 SD MET A 52 70.451 12.242 -2.316 1.00 0.00 S ATOM 362 CE MET A 52 71.700 13.253 -3.151 1.00 0.00 C ATOM 0 H MET A 52 73.085 11.713 1.654 1.00 0.00 H new ATOM 0 HA MET A 52 72.173 9.763 -0.445 1.00 0.00 H new ATOM 0 HB2 MET A 52 70.240 10.814 0.124 1.00 0.00 H new ATOM 0 HB3 MET A 52 71.106 11.788 1.296 1.00 0.00 H new ATOM 0 HG2 MET A 52 70.044 13.348 -0.211 1.00 0.00 H new ATOM 0 HG3 MET A 52 71.747 13.369 -0.622 1.00 0.00 H new ATOM 0 HE1 MET A 52 71.223 13.858 -3.922 1.00 0.00 H new ATOM 0 HE2 MET A 52 72.184 13.906 -2.425 1.00 0.00 H new ATOM 0 HE3 MET A 52 72.446 12.604 -3.609 1.00 0.00 H new ATOM 372 N GLU A 53 73.787 12.532 -0.998 1.00 0.00 N ATOM 373 CA GLU A 53 74.570 13.199 -2.035 1.00 0.00 C ATOM 374 C GLU A 53 75.531 12.170 -2.569 1.00 0.00 C ATOM 375 O GLU A 53 75.858 12.145 -3.734 1.00 0.00 O ATOM 376 CB GLU A 53 75.310 14.315 -1.315 1.00 0.00 C ATOM 377 CG GLU A 53 75.917 15.230 -2.360 1.00 0.00 C ATOM 378 CD GLU A 53 76.726 16.335 -1.680 1.00 0.00 C ATOM 379 OE1 GLU A 53 77.032 16.184 -0.510 1.00 0.00 O ATOM 380 OE2 GLU A 53 77.025 17.314 -2.343 1.00 0.00 O ATOM 0 H GLU A 53 73.812 12.977 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 53 73.984 13.603 -2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 53 74.627 14.871 -0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 53 76.088 13.903 -0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 53 76.559 14.657 -3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 53 75.130 15.669 -2.973 1.00 0.00 H new ATOM 387 N ALA A 54 75.944 11.272 -1.718 1.00 0.00 N ATOM 388 CA ALA A 54 76.847 10.204 -2.186 1.00 0.00 C ATOM 389 C ALA A 54 76.130 9.489 -3.317 1.00 0.00 C ATOM 390 O ALA A 54 76.734 8.981 -4.236 1.00 0.00 O ATOM 391 CB ALA A 54 77.051 9.280 -0.984 1.00 0.00 C ATOM 0 H ALA A 54 75.694 11.237 -0.730 1.00 0.00 H new ATOM 0 HA ALA A 54 77.811 10.560 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 54 77.714 8.461 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 54 77.495 9.843 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 54 76.089 8.876 -0.668 1.00 0.00 H new ATOM 397 N MET A 55 74.826 9.476 -3.249 1.00 0.00 N ATOM 398 CA MET A 55 74.023 8.815 -4.317 1.00 0.00 C ATOM 399 C MET A 55 73.997 9.679 -5.583 1.00 0.00 C ATOM 400 O MET A 55 74.402 9.249 -6.645 1.00 0.00 O ATOM 401 CB MET A 55 72.616 8.678 -3.731 1.00 0.00 C ATOM 402 CG MET A 55 72.703 8.067 -2.330 1.00 0.00 C ATOM 403 SD MET A 55 71.040 7.644 -1.751 1.00 0.00 S ATOM 404 CE MET A 55 71.356 5.894 -1.413 1.00 0.00 C ATOM 0 H MET A 55 74.281 9.897 -2.497 1.00 0.00 H new ATOM 0 HA MET A 55 74.441 7.850 -4.605 1.00 0.00 H new ATOM 0 HB2 MET A 55 72.134 9.654 -3.684 1.00 0.00 H new ATOM 0 HB3 MET A 55 72.002 8.050 -4.376 1.00 0.00 H new ATOM 0 HG2 MET A 55 73.331 7.176 -2.349 1.00 0.00 H new ATOM 0 HG3 MET A 55 73.171 8.772 -1.643 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.599 5.513 -0.728 1.00 0.00 H new ATOM 0 HE2 MET A 55 71.318 5.331 -2.345 1.00 0.00 H new ATOM 0 HE3 MET A 55 72.342 5.783 -0.962 1.00 0.00 H new ATOM 414 N GLU A 56 73.519 10.891 -5.484 1.00 0.00 N ATOM 415 CA GLU A 56 73.465 11.771 -6.689 1.00 0.00 C ATOM 416 C GLU A 56 74.872 12.059 -7.208 1.00 0.00 C ATOM 417 O GLU A 56 75.183 11.790 -8.351 1.00 0.00 O ATOM 418 CB GLU A 56 72.795 13.065 -6.220 1.00 0.00 C ATOM 419 CG GLU A 56 71.282 12.956 -6.417 1.00 0.00 C ATOM 420 CD GLU A 56 70.949 13.074 -7.906 1.00 0.00 C ATOM 421 OE1 GLU A 56 71.479 13.969 -8.543 1.00 0.00 O ATOM 422 OE2 GLU A 56 70.168 12.266 -8.383 1.00 0.00 O ATOM 0 H GLU A 56 73.164 11.309 -4.624 1.00 0.00 H new ATOM 0 HA GLU A 56 72.916 11.302 -7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 56 73.024 13.246 -5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 56 73.185 13.914 -6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 56 70.922 12.004 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.775 13.742 -5.857 1.00 0.00 H new ATOM 429 N LYS A 57 75.728 12.606 -6.389 1.00 0.00 N ATOM 430 CA LYS A 57 77.104 12.899 -6.871 1.00 0.00 C ATOM 431 C LYS A 57 77.642 11.684 -7.637 1.00 0.00 C ATOM 432 O LYS A 57 77.783 11.724 -8.844 1.00 0.00 O ATOM 433 CB LYS A 57 77.937 13.202 -5.616 1.00 0.00 C ATOM 434 CG LYS A 57 78.037 14.721 -5.442 1.00 0.00 C ATOM 435 CD LYS A 57 79.508 15.121 -5.295 1.00 0.00 C ATOM 436 CE LYS A 57 79.845 16.228 -6.300 1.00 0.00 C ATOM 437 NZ LYS A 57 79.554 17.500 -5.579 1.00 0.00 N ATOM 0 H LYS A 57 75.537 12.859 -5.420 1.00 0.00 H new ATOM 0 HA LYS A 57 77.139 13.746 -7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 57 77.474 12.752 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 57 78.932 12.767 -5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 57 77.596 15.226 -6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 57 77.474 15.035 -4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.701 15.467 -4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.149 14.256 -5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.889 16.178 -6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 57 79.242 16.139 -7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 79.760 18.307 -6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 78.551 17.522 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 80.148 17.560 -4.727 1.00 0.00 H new ATOM 451 N LEU A 58 77.949 10.611 -6.959 1.00 0.00 N ATOM 452 CA LEU A 58 78.482 9.404 -7.665 1.00 0.00 C ATOM 453 C LEU A 58 77.798 9.191 -9.025 1.00 0.00 C ATOM 454 O LEU A 58 78.404 8.696 -9.955 1.00 0.00 O ATOM 455 CB LEU A 58 78.168 8.233 -6.737 1.00 0.00 C ATOM 456 CG LEU A 58 79.407 7.892 -5.910 1.00 0.00 C ATOM 457 CD1 LEU A 58 79.528 8.854 -4.727 1.00 0.00 C ATOM 458 CD2 LEU A 58 79.300 6.454 -5.391 1.00 0.00 C ATOM 0 H LEU A 58 77.855 10.515 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 58 79.547 9.509 -7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.338 8.489 -6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.857 7.366 -7.320 1.00 0.00 H new ATOM 0 HG LEU A 58 80.291 7.987 -6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 58 80.414 8.603 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 58 79.614 9.876 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 58 78.642 8.769 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 58 80.185 6.213 -4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 58 78.411 6.357 -4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 58 79.228 5.767 -6.234 1.00 0.00 H new ATOM 470 N LYS A 59 76.541 9.532 -9.149 1.00 0.00 N ATOM 471 CA LYS A 59 75.842 9.312 -10.453 1.00 0.00 C ATOM 472 C LYS A 59 76.170 10.417 -11.466 1.00 0.00 C ATOM 473 O LYS A 59 76.748 10.160 -12.503 1.00 0.00 O ATOM 474 CB LYS A 59 74.354 9.326 -10.105 1.00 0.00 C ATOM 475 CG LYS A 59 73.882 7.898 -9.830 1.00 0.00 C ATOM 476 CD LYS A 59 73.067 7.392 -11.022 1.00 0.00 C ATOM 477 CE LYS A 59 74.012 6.810 -12.073 1.00 0.00 C ATOM 478 NZ LYS A 59 73.438 7.238 -13.380 1.00 0.00 N ATOM 0 H LYS A 59 75.972 9.949 -8.412 1.00 0.00 H new ATOM 0 HA LYS A 59 76.154 8.378 -10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.180 9.953 -9.230 1.00 0.00 H new ATOM 0 HB3 LYS A 59 73.782 9.758 -10.926 1.00 0.00 H new ATOM 0 HG2 LYS A 59 74.739 7.247 -9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 59 73.276 7.872 -8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 59 72.357 6.632 -10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 59 72.486 8.208 -11.452 1.00 0.00 H new ATOM 0 HE2 LYS A 59 75.027 7.187 -11.944 1.00 0.00 H new ATOM 0 HE3 LYS A 59 74.064 5.724 -12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 74.031 6.877 -14.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 72.474 6.859 -13.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 73.408 8.277 -13.422 1.00 0.00 H new ATOM 492 N SER A 60 75.786 11.632 -11.181 1.00 0.00 N ATOM 493 CA SER A 60 76.051 12.763 -12.128 1.00 0.00 C ATOM 494 C SER A 60 77.388 12.586 -12.858 1.00 0.00 C ATOM 495 O SER A 60 77.435 12.389 -14.056 1.00 0.00 O ATOM 496 CB SER A 60 76.098 14.016 -11.249 1.00 0.00 C ATOM 497 OG SER A 60 75.912 13.657 -9.886 1.00 0.00 O ATOM 0 H SER A 60 75.296 11.895 -10.326 1.00 0.00 H new ATOM 0 HA SER A 60 75.283 12.818 -12.900 1.00 0.00 H new ATOM 0 HB2 SER A 60 77.055 14.523 -11.374 1.00 0.00 H new ATOM 0 HB3 SER A 60 75.323 14.717 -11.559 1.00 0.00 H new ATOM 0 HG SER A 60 76.669 13.113 -9.585 1.00 0.00 H new ATOM 503 N GLY A 61 78.471 12.670 -12.142 1.00 0.00 N ATOM 504 CA GLY A 61 79.817 12.524 -12.781 1.00 0.00 C ATOM 505 C GLY A 61 80.838 13.333 -11.976 1.00 0.00 C ATOM 506 O GLY A 61 81.730 13.956 -12.515 1.00 0.00 O ATOM 0 H GLY A 61 78.488 12.834 -11.135 1.00 0.00 H new ATOM 0 HA2 GLY A 61 80.108 11.474 -12.812 1.00 0.00 H new ATOM 0 HA3 GLY A 61 79.785 12.876 -13.812 1.00 0.00 H new ATOM 510 N MET A 62 80.692 13.326 -10.684 1.00 0.00 N ATOM 511 CA MET A 62 81.619 14.090 -9.791 1.00 0.00 C ATOM 512 C MET A 62 82.814 13.234 -9.364 1.00 0.00 C ATOM 513 O MET A 62 83.125 12.227 -9.967 1.00 0.00 O ATOM 514 CB MET A 62 80.783 14.465 -8.553 1.00 0.00 C ATOM 515 CG MET A 62 79.766 13.376 -8.220 1.00 0.00 C ATOM 516 SD MET A 62 80.507 11.719 -8.374 1.00 0.00 S ATOM 517 CE MET A 62 80.758 11.401 -6.628 1.00 0.00 C ATOM 0 H MET A 62 79.957 12.815 -10.194 1.00 0.00 H new ATOM 0 HA MET A 62 82.022 14.963 -10.305 1.00 0.00 H new ATOM 0 HB2 MET A 62 81.443 14.622 -7.700 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.265 15.407 -8.733 1.00 0.00 H new ATOM 0 HG2 MET A 62 79.394 13.519 -7.205 1.00 0.00 H new ATOM 0 HG3 MET A 62 78.909 13.458 -8.888 1.00 0.00 H new ATOM 0 HE1 MET A 62 81.195 10.411 -6.498 1.00 0.00 H new ATOM 0 HE2 MET A 62 81.431 12.152 -6.215 1.00 0.00 H new ATOM 0 HE3 MET A 62 79.801 11.447 -6.109 1.00 0.00 H new ATOM 527 N ARG A 63 83.478 13.641 -8.315 1.00 0.00 N ATOM 528 CA ARG A 63 84.651 12.882 -7.816 1.00 0.00 C ATOM 529 C ARG A 63 84.234 11.587 -7.137 1.00 0.00 C ATOM 530 O ARG A 63 83.302 11.551 -6.365 1.00 0.00 O ATOM 531 CB ARG A 63 85.253 13.775 -6.764 1.00 0.00 C ATOM 532 CG ARG A 63 85.658 15.105 -7.367 1.00 0.00 C ATOM 533 CD ARG A 63 85.196 16.227 -6.433 1.00 0.00 C ATOM 534 NE ARG A 63 86.381 17.117 -6.290 1.00 0.00 N ATOM 535 CZ ARG A 63 86.217 18.398 -6.103 1.00 0.00 C ATOM 536 NH1 ARG A 63 85.609 19.115 -7.008 1.00 0.00 N ATOM 537 NH2 ARG A 63 86.659 18.959 -5.012 1.00 0.00 N ATOM 0 H ARG A 63 83.251 14.479 -7.779 1.00 0.00 H new ATOM 0 HA ARG A 63 85.324 12.626 -8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 63 84.534 13.937 -5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 63 86.123 13.290 -6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 63 86.739 15.146 -7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 63 85.210 15.225 -8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 63 84.346 16.765 -6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.879 15.832 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 63 87.322 16.725 -6.338 1.00 0.00 H new ATOM 0 HH11 ARG A 63 85.263 18.674 -7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.480 20.116 -6.863 1.00 0.00 H new ATOM 0 HH21 ARG A 63 87.133 18.397 -4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.531 19.960 -4.865 1.00 0.00 H new ATOM 551 N PHE A 64 84.951 10.538 -7.382 1.00 0.00 N ATOM 552 CA PHE A 64 84.637 9.250 -6.712 1.00 0.00 C ATOM 553 C PHE A 64 85.437 9.140 -5.414 1.00 0.00 C ATOM 554 O PHE A 64 84.985 8.580 -4.434 1.00 0.00 O ATOM 555 CB PHE A 64 85.065 8.169 -7.706 1.00 0.00 C ATOM 556 CG PHE A 64 83.918 7.219 -7.967 1.00 0.00 C ATOM 557 CD1 PHE A 64 82.598 7.690 -8.006 1.00 0.00 C ATOM 558 CD2 PHE A 64 84.180 5.860 -8.179 1.00 0.00 C ATOM 559 CE1 PHE A 64 81.545 6.802 -8.257 1.00 0.00 C ATOM 560 CE2 PHE A 64 83.127 4.973 -8.428 1.00 0.00 C ATOM 561 CZ PHE A 64 81.809 5.444 -8.468 1.00 0.00 C ATOM 0 H PHE A 64 85.746 10.513 -8.020 1.00 0.00 H new ATOM 0 HA PHE A 64 83.583 9.158 -6.450 1.00 0.00 H new ATOM 0 HB2 PHE A 64 85.386 8.630 -8.640 1.00 0.00 H new ATOM 0 HB3 PHE A 64 85.920 7.620 -7.312 1.00 0.00 H new ATOM 0 HD1 PHE A 64 82.393 8.738 -7.842 1.00 0.00 H new ATOM 0 HD2 PHE A 64 85.196 5.496 -8.150 1.00 0.00 H new ATOM 0 HE1 PHE A 64 80.528 7.165 -8.288 1.00 0.00 H new ATOM 0 HE2 PHE A 64 83.331 3.925 -8.589 1.00 0.00 H new ATOM 0 HZ PHE A 64 80.996 4.759 -8.662 1.00 0.00 H new ATOM 571 N ASN A 65 86.638 9.656 -5.412 1.00 0.00 N ATOM 572 CA ASN A 65 87.489 9.559 -4.193 1.00 0.00 C ATOM 573 C ASN A 65 87.277 10.760 -3.280 1.00 0.00 C ATOM 574 O ASN A 65 87.354 10.650 -2.072 1.00 0.00 O ATOM 575 CB ASN A 65 88.925 9.530 -4.715 1.00 0.00 C ATOM 576 CG ASN A 65 89.792 8.689 -3.775 1.00 0.00 C ATOM 577 OD1 ASN A 65 89.559 8.654 -2.584 1.00 0.00 O ATOM 578 ND2 ASN A 65 90.792 8.008 -4.266 1.00 0.00 N ATOM 0 H ASN A 65 87.065 10.140 -6.202 1.00 0.00 H new ATOM 0 HA ASN A 65 87.247 8.677 -3.600 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.949 9.112 -5.721 1.00 0.00 H new ATOM 0 HB3 ASN A 65 89.320 10.544 -4.782 1.00 0.00 H new ATOM 0 HD21 ASN A 65 91.378 7.446 -3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 65 90.987 8.038 -5.267 1.00 0.00 H new ATOM 585 N GLU A 66 87.005 11.904 -3.835 1.00 0.00 N ATOM 586 CA GLU A 66 86.787 13.086 -2.971 1.00 0.00 C ATOM 587 C GLU A 66 85.498 12.869 -2.187 1.00 0.00 C ATOM 588 O GLU A 66 85.498 12.894 -0.973 1.00 0.00 O ATOM 589 CB GLU A 66 86.699 14.270 -3.924 1.00 0.00 C ATOM 590 CG GLU A 66 88.091 14.515 -4.530 1.00 0.00 C ATOM 591 CD GLU A 66 88.241 13.809 -5.877 1.00 0.00 C ATOM 592 OE1 GLU A 66 88.025 12.608 -5.924 1.00 0.00 O ATOM 593 OE2 GLU A 66 88.589 14.476 -6.837 1.00 0.00 O ATOM 0 H GLU A 66 86.925 12.069 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 66 87.579 13.257 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.973 14.069 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 66 86.355 15.158 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 66 88.251 15.586 -4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 66 88.858 14.158 -3.842 1.00 0.00 H new ATOM 600 N VAL A 67 84.403 12.600 -2.853 1.00 0.00 N ATOM 601 CA VAL A 67 83.169 12.325 -2.085 1.00 0.00 C ATOM 602 C VAL A 67 83.498 11.218 -1.085 1.00 0.00 C ATOM 603 O VAL A 67 83.340 11.367 0.109 1.00 0.00 O ATOM 604 CB VAL A 67 82.106 11.823 -3.079 1.00 0.00 C ATOM 605 CG1 VAL A 67 81.590 12.965 -3.943 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.679 10.740 -3.975 1.00 0.00 C ATOM 0 H VAL A 67 84.317 12.561 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 67 82.802 13.209 -1.563 1.00 0.00 H new ATOM 0 HB VAL A 67 81.280 11.412 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.840 12.586 -4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 67 81.142 13.729 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 67 82.417 13.399 -4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.912 10.399 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 67 83.524 11.141 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 67 83.014 9.902 -3.364 1.00 0.00 H new ATOM 616 N ALA A 68 84.001 10.110 -1.572 1.00 0.00 N ATOM 617 CA ALA A 68 84.371 8.999 -0.660 1.00 0.00 C ATOM 618 C ALA A 68 85.163 9.577 0.496 1.00 0.00 C ATOM 619 O ALA A 68 85.015 9.182 1.633 1.00 0.00 O ATOM 620 CB ALA A 68 85.241 8.063 -1.500 1.00 0.00 C ATOM 0 H ALA A 68 84.169 9.933 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 68 83.511 8.470 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.554 7.214 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.669 7.705 -2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.121 8.602 -1.852 1.00 0.00 H new ATOM 626 N ALA A 69 85.994 10.534 0.210 1.00 0.00 N ATOM 627 CA ALA A 69 86.783 11.162 1.289 1.00 0.00 C ATOM 628 C ALA A 69 85.838 11.699 2.361 1.00 0.00 C ATOM 629 O ALA A 69 85.792 11.191 3.464 1.00 0.00 O ATOM 630 CB ALA A 69 87.544 12.303 0.616 1.00 0.00 C ATOM 0 H ALA A 69 86.159 10.906 -0.725 1.00 0.00 H new ATOM 0 HA ALA A 69 87.463 10.463 1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 69 88.155 12.819 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 69 88.186 11.900 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.834 13.005 0.178 1.00 0.00 H new ATOM 636 N GLN A 70 85.093 12.734 2.066 1.00 0.00 N ATOM 637 CA GLN A 70 84.187 13.282 3.101 1.00 0.00 C ATOM 638 C GLN A 70 82.794 12.667 3.080 1.00 0.00 C ATOM 639 O GLN A 70 82.253 12.339 4.109 1.00 0.00 O ATOM 640 CB GLN A 70 84.094 14.761 2.828 1.00 0.00 C ATOM 641 CG GLN A 70 84.500 15.461 4.110 1.00 0.00 C ATOM 642 CD GLN A 70 83.405 15.249 5.175 1.00 0.00 C ATOM 643 OE1 GLN A 70 82.681 16.170 5.495 1.00 0.00 O ATOM 644 NE2 GLN A 70 83.242 14.069 5.746 1.00 0.00 N ATOM 0 H GLN A 70 85.077 13.212 1.165 1.00 0.00 H new ATOM 0 HA GLN A 70 84.589 13.053 4.088 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.750 15.046 2.006 1.00 0.00 H new ATOM 0 HB3 GLN A 70 83.081 15.039 2.538 1.00 0.00 H new ATOM 0 HG2 GLN A 70 85.452 15.068 4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 70 84.644 16.526 3.927 1.00 0.00 H new ATOM 0 HE21 GLN A 70 83.844 13.288 5.485 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.514 13.938 6.448 1.00 0.00 H new ATOM 653 N TYR A 71 82.185 12.548 1.938 1.00 0.00 N ATOM 654 CA TYR A 71 80.810 11.980 1.913 1.00 0.00 C ATOM 655 C TYR A 71 80.776 10.735 2.799 1.00 0.00 C ATOM 656 O TYR A 71 79.767 10.395 3.385 1.00 0.00 O ATOM 657 CB TYR A 71 80.513 11.648 0.447 1.00 0.00 C ATOM 658 CG TYR A 71 80.166 12.916 -0.308 1.00 0.00 C ATOM 659 CD1 TYR A 71 80.723 14.155 0.064 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.283 12.848 -1.392 1.00 0.00 C ATOM 661 CE1 TYR A 71 80.391 15.312 -0.653 1.00 0.00 C ATOM 662 CE2 TYR A 71 78.955 14.007 -2.105 1.00 0.00 C ATOM 663 CZ TYR A 71 79.509 15.238 -1.736 1.00 0.00 C ATOM 664 OH TYR A 71 79.184 16.379 -2.441 1.00 0.00 O ATOM 0 H TYR A 71 82.571 12.814 1.032 1.00 0.00 H new ATOM 0 HA TYR A 71 80.058 12.670 2.296 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.379 11.168 -0.009 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.687 10.940 0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 71 81.404 14.213 0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 71 78.854 11.899 -1.679 1.00 0.00 H new ATOM 0 HE1 TYR A 71 80.817 16.263 -0.369 1.00 0.00 H new ATOM 0 HE2 TYR A 71 78.274 13.951 -2.941 1.00 0.00 H new ATOM 0 HH TYR A 71 79.099 17.133 -1.821 1.00 0.00 H new ATOM 674 N SER A 72 81.890 10.062 2.905 1.00 0.00 N ATOM 675 CA SER A 72 81.959 8.842 3.760 1.00 0.00 C ATOM 676 C SER A 72 82.064 9.224 5.245 1.00 0.00 C ATOM 677 O SER A 72 82.125 8.363 6.100 1.00 0.00 O ATOM 678 CB SER A 72 83.238 8.132 3.318 1.00 0.00 C ATOM 679 OG SER A 72 83.415 6.951 4.086 1.00 0.00 O ATOM 0 H SER A 72 82.761 10.307 2.433 1.00 0.00 H new ATOM 0 HA SER A 72 81.071 8.219 3.653 1.00 0.00 H new ATOM 0 HB2 SER A 72 83.181 7.884 2.258 1.00 0.00 H new ATOM 0 HB3 SER A 72 84.096 8.793 3.445 1.00 0.00 H new ATOM 0 HG SER A 72 84.041 7.128 4.819 1.00 0.00 H new ATOM 685 N GLU A 73 82.080 10.507 5.542 1.00 0.00 N ATOM 686 CA GLU A 73 82.186 10.999 6.953 1.00 0.00 C ATOM 687 C GLU A 73 82.842 9.951 7.849 1.00 0.00 C ATOM 688 O GLU A 73 82.390 9.672 8.941 1.00 0.00 O ATOM 689 CB GLU A 73 80.751 11.281 7.378 1.00 0.00 C ATOM 690 CG GLU A 73 80.712 12.584 8.171 1.00 0.00 C ATOM 691 CD GLU A 73 79.430 13.347 7.836 1.00 0.00 C ATOM 692 OE1 GLU A 73 79.317 13.813 6.714 1.00 0.00 O ATOM 693 OE2 GLU A 73 78.581 13.450 8.706 1.00 0.00 O ATOM 0 H GLU A 73 82.022 11.249 4.845 1.00 0.00 H new ATOM 0 HA GLU A 73 82.811 11.888 7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 73 80.107 11.355 6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 73 80.370 10.460 7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 73 80.754 12.373 9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 73 81.584 13.194 7.932 1.00 0.00 H new ATOM 700 N ASP A 74 83.908 9.373 7.368 1.00 0.00 N ATOM 701 CA ASP A 74 84.644 8.320 8.135 1.00 0.00 C ATOM 702 C ASP A 74 85.518 7.525 7.163 1.00 0.00 C ATOM 703 O ASP A 74 85.021 6.820 6.307 1.00 0.00 O ATOM 704 CB ASP A 74 83.564 7.417 8.748 1.00 0.00 C ATOM 705 CG ASP A 74 84.165 6.053 9.100 1.00 0.00 C ATOM 706 OD1 ASP A 74 85.301 6.025 9.545 1.00 0.00 O ATOM 707 OD2 ASP A 74 83.479 5.060 8.918 1.00 0.00 O ATOM 0 H ASP A 74 84.311 9.589 6.456 1.00 0.00 H new ATOM 0 HA ASP A 74 85.289 8.737 8.909 1.00 0.00 H new ATOM 0 HB2 ASP A 74 83.151 7.884 9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 74 82.741 7.291 8.045 1.00 0.00 H new ATOM 712 N LYS A 75 86.811 7.638 7.271 1.00 0.00 N ATOM 713 CA LYS A 75 87.694 6.893 6.329 1.00 0.00 C ATOM 714 C LYS A 75 87.318 7.261 4.887 1.00 0.00 C ATOM 715 O LYS A 75 87.677 8.316 4.403 1.00 0.00 O ATOM 716 CB LYS A 75 87.423 5.414 6.612 1.00 0.00 C ATOM 717 CG LYS A 75 88.258 4.551 5.662 1.00 0.00 C ATOM 718 CD LYS A 75 89.745 4.799 5.921 1.00 0.00 C ATOM 719 CE LYS A 75 90.469 3.457 6.059 1.00 0.00 C ATOM 720 NZ LYS A 75 91.675 3.756 6.882 1.00 0.00 N ATOM 0 H LYS A 75 87.293 8.209 7.965 1.00 0.00 H new ATOM 0 HA LYS A 75 88.750 7.130 6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 75 87.672 5.179 7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 75 86.363 5.196 6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 75 88.023 3.497 5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 75 88.013 4.790 4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 75 90.177 5.375 5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 75 89.874 5.389 6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 75 89.835 2.714 6.542 1.00 0.00 H new ATOM 0 HE3 LYS A 75 90.745 3.055 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 92.225 2.884 7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 92.262 4.462 6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 91.380 4.131 7.806 1.00 0.00 H new ATOM 734 N ALA A 76 86.589 6.414 4.201 1.00 0.00 N ATOM 735 CA ALA A 76 86.185 6.735 2.795 1.00 0.00 C ATOM 736 C ALA A 76 85.647 5.485 2.092 1.00 0.00 C ATOM 737 O ALA A 76 86.050 4.377 2.380 1.00 0.00 O ATOM 738 CB ALA A 76 87.461 7.223 2.102 1.00 0.00 C ATOM 0 H ALA A 76 86.257 5.516 4.553 1.00 0.00 H new ATOM 0 HA ALA A 76 85.394 7.484 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 76 87.238 7.476 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 76 87.840 8.105 2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 76 88.214 6.435 2.129 1.00 0.00 H new ATOM 744 N ARG A 77 84.742 5.656 1.164 1.00 0.00 N ATOM 745 CA ARG A 77 84.192 4.475 0.438 1.00 0.00 C ATOM 746 C ARG A 77 85.148 4.069 -0.684 1.00 0.00 C ATOM 747 O ARG A 77 85.750 3.015 -0.649 1.00 0.00 O ATOM 748 CB ARG A 77 82.850 4.936 -0.137 1.00 0.00 C ATOM 749 CG ARG A 77 82.363 3.918 -1.173 1.00 0.00 C ATOM 750 CD ARG A 77 81.000 3.362 -0.753 1.00 0.00 C ATOM 751 NE ARG A 77 80.058 3.777 -1.833 1.00 0.00 N ATOM 752 CZ ARG A 77 79.984 5.030 -2.200 1.00 0.00 C ATOM 753 NH1 ARG A 77 79.184 5.849 -1.573 1.00 0.00 N ATOM 754 NH2 ARG A 77 80.704 5.466 -3.197 1.00 0.00 N ATOM 0 H ARG A 77 84.362 6.559 0.879 1.00 0.00 H new ATOM 0 HA ARG A 77 84.069 3.610 1.089 1.00 0.00 H new ATOM 0 HB2 ARG A 77 82.115 5.038 0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 77 82.958 5.918 -0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 77 82.287 4.390 -2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 77 83.084 3.106 -1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 77 81.031 2.277 -0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 77 80.692 3.762 0.213 1.00 0.00 H new ATOM 0 HE ARG A 77 79.469 3.080 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 77 78.616 5.512 -0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 77 79.127 6.826 -1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 77 81.327 4.829 -3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 77 80.644 6.444 -3.480 1.00 0.00 H new ATOM 768 N GLN A 78 85.299 4.901 -1.674 1.00 0.00 N ATOM 769 CA GLN A 78 86.223 4.566 -2.794 1.00 0.00 C ATOM 770 C GLN A 78 87.674 4.650 -2.313 1.00 0.00 C ATOM 771 O GLN A 78 88.367 3.656 -2.226 1.00 0.00 O ATOM 772 CB GLN A 78 85.944 5.621 -3.859 1.00 0.00 C ATOM 773 CG GLN A 78 84.653 5.264 -4.602 1.00 0.00 C ATOM 774 CD GLN A 78 83.634 6.395 -4.448 1.00 0.00 C ATOM 775 OE1 GLN A 78 83.405 7.151 -5.372 1.00 0.00 O ATOM 776 NE2 GLN A 78 83.007 6.545 -3.312 1.00 0.00 N ATOM 0 H GLN A 78 84.823 5.799 -1.757 1.00 0.00 H new ATOM 0 HA GLN A 78 86.073 3.556 -3.176 1.00 0.00 H new ATOM 0 HB2 GLN A 78 85.851 6.604 -3.397 1.00 0.00 H new ATOM 0 HB3 GLN A 78 86.777 5.675 -4.560 1.00 0.00 H new ATOM 0 HG2 GLN A 78 84.865 5.095 -5.658 1.00 0.00 H new ATOM 0 HG3 GLN A 78 84.241 4.335 -4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 78 83.199 5.911 -2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 78 82.326 7.296 -3.201 1.00 0.00 H new ATOM 785 N GLY A 79 88.137 5.828 -1.991 1.00 0.00 N ATOM 786 CA GLY A 79 89.539 5.966 -1.508 1.00 0.00 C ATOM 787 C GLY A 79 89.701 5.158 -0.220 1.00 0.00 C ATOM 788 O GLY A 79 90.767 4.658 0.085 1.00 0.00 O ATOM 0 H GLY A 79 87.606 6.697 -2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.236 5.610 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 79 89.774 7.015 -1.327 1.00 0.00 H new ATOM 792 N GLY A 80 88.646 5.022 0.535 1.00 0.00 N ATOM 793 CA GLY A 80 88.724 4.244 1.800 1.00 0.00 C ATOM 794 C GLY A 80 88.214 2.822 1.552 1.00 0.00 C ATOM 795 O GLY A 80 88.092 2.030 2.465 1.00 0.00 O ATOM 0 H GLY A 80 87.730 5.419 0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 80 89.752 4.216 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 80 88.128 4.727 2.574 1.00 0.00 H new ATOM 799 N ASP A 81 87.915 2.495 0.321 1.00 0.00 N ATOM 800 CA ASP A 81 87.410 1.127 0.006 1.00 0.00 C ATOM 801 C ASP A 81 88.161 0.075 0.830 1.00 0.00 C ATOM 802 O ASP A 81 89.269 -0.304 0.506 1.00 0.00 O ATOM 803 CB ASP A 81 87.692 0.944 -1.488 1.00 0.00 C ATOM 804 CG ASP A 81 87.668 -0.546 -1.843 1.00 0.00 C ATOM 805 OD1 ASP A 81 87.084 -1.306 -1.087 1.00 0.00 O ATOM 806 OD2 ASP A 81 88.232 -0.901 -2.864 1.00 0.00 O ATOM 0 H ASP A 81 87.999 3.119 -0.481 1.00 0.00 H new ATOM 0 HA ASP A 81 86.352 1.011 0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 81 86.947 1.479 -2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 81 88.663 1.371 -1.739 1.00 0.00 H new ATOM 811 N LEU A 82 87.566 -0.404 1.889 1.00 0.00 N ATOM 812 CA LEU A 82 88.250 -1.433 2.723 1.00 0.00 C ATOM 813 C LEU A 82 88.898 -2.486 1.820 1.00 0.00 C ATOM 814 O LEU A 82 89.871 -3.118 2.183 1.00 0.00 O ATOM 815 CB LEU A 82 87.142 -2.058 3.572 1.00 0.00 C ATOM 816 CG LEU A 82 87.137 -1.409 4.958 1.00 0.00 C ATOM 817 CD1 LEU A 82 86.143 -0.246 4.976 1.00 0.00 C ATOM 818 CD2 LEU A 82 86.728 -2.447 6.006 1.00 0.00 C ATOM 0 H LEU A 82 86.639 -0.128 2.212 1.00 0.00 H new ATOM 0 HA LEU A 82 89.041 -1.010 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 82 86.175 -1.917 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 82 87.300 -3.133 3.662 1.00 0.00 H new ATOM 0 HG LEU A 82 88.135 -1.035 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 82 86.140 0.215 5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 82 86.435 0.494 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 82 85.144 -0.617 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 82 86.724 -1.985 6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 82 85.730 -2.822 5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 82 87.438 -3.274 5.995 1.00 0.00 H new ATOM 830 N GLY A 83 88.367 -2.675 0.642 1.00 0.00 N ATOM 831 CA GLY A 83 88.952 -3.679 -0.290 1.00 0.00 C ATOM 832 C GLY A 83 88.487 -5.082 0.100 1.00 0.00 C ATOM 833 O GLY A 83 87.687 -5.258 0.997 1.00 0.00 O ATOM 0 H GLY A 83 87.552 -2.176 0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 83 88.650 -3.458 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.040 -3.625 -0.260 1.00 0.00 H new ATOM 837 N TRP A 84 88.986 -6.084 -0.572 1.00 0.00 N ATOM 838 CA TRP A 84 88.584 -7.483 -0.253 1.00 0.00 C ATOM 839 C TRP A 84 88.494 -7.679 1.264 1.00 0.00 C ATOM 840 O TRP A 84 89.379 -7.294 2.002 1.00 0.00 O ATOM 841 CB TRP A 84 89.697 -8.347 -0.843 1.00 0.00 C ATOM 842 CG TRP A 84 89.427 -8.584 -2.291 1.00 0.00 C ATOM 843 CD1 TRP A 84 90.198 -8.134 -3.299 1.00 0.00 C ATOM 844 CD2 TRP A 84 88.331 -9.319 -2.907 1.00 0.00 C ATOM 845 NE1 TRP A 84 89.646 -8.538 -4.502 1.00 0.00 N ATOM 846 CE2 TRP A 84 88.494 -9.275 -4.311 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.223 -10.011 -2.388 1.00 0.00 C ATOM 848 CZ2 TRP A 84 87.588 -9.896 -5.172 1.00 0.00 C ATOM 849 CZ3 TRP A 84 86.311 -10.638 -3.252 1.00 0.00 C ATOM 850 CH2 TRP A 84 86.493 -10.581 -4.640 1.00 0.00 C ATOM 0 H TRP A 84 89.659 -5.992 -1.333 1.00 0.00 H new ATOM 0 HA TRP A 84 87.605 -7.739 -0.659 1.00 0.00 H new ATOM 0 HB2 TRP A 84 90.661 -7.853 -0.718 1.00 0.00 H new ATOM 0 HB3 TRP A 84 89.754 -9.297 -0.312 1.00 0.00 H new ATOM 0 HD1 TRP A 84 91.101 -7.552 -3.187 1.00 0.00 H new ATOM 0 HE1 TRP A 84 90.041 -8.319 -5.416 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.073 -10.061 -1.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 87.732 -9.847 -6.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 85.463 -11.168 -2.844 1.00 0.00 H new ATOM 0 HH2 TRP A 84 85.787 -11.066 -5.298 1.00 0.00 H new ATOM 861 N MET A 85 87.432 -8.273 1.733 1.00 0.00 N ATOM 862 CA MET A 85 87.288 -8.491 3.202 1.00 0.00 C ATOM 863 C MET A 85 86.464 -9.752 3.465 1.00 0.00 C ATOM 864 O MET A 85 85.464 -9.996 2.819 1.00 0.00 O ATOM 865 CB MET A 85 86.554 -7.253 3.717 1.00 0.00 C ATOM 866 CG MET A 85 87.518 -6.394 4.538 1.00 0.00 C ATOM 867 SD MET A 85 87.491 -6.935 6.264 1.00 0.00 S ATOM 868 CE MET A 85 88.590 -5.655 6.921 1.00 0.00 C ATOM 0 H MET A 85 86.658 -8.617 1.165 1.00 0.00 H new ATOM 0 HA MET A 85 88.249 -8.628 3.698 1.00 0.00 H new ATOM 0 HB2 MET A 85 86.159 -6.677 2.880 1.00 0.00 H new ATOM 0 HB3 MET A 85 85.703 -7.550 4.330 1.00 0.00 H new ATOM 0 HG2 MET A 85 88.528 -6.477 4.136 1.00 0.00 H new ATOM 0 HG3 MET A 85 87.233 -5.344 4.471 1.00 0.00 H new ATOM 0 HE1 MET A 85 89.350 -6.117 7.551 1.00 0.00 H new ATOM 0 HE2 MET A 85 89.072 -5.131 6.096 1.00 0.00 H new ATOM 0 HE3 MET A 85 88.010 -4.946 7.512 1.00 0.00 H new ATOM 878 N THR A 86 86.873 -10.556 4.406 1.00 0.00 N ATOM 879 CA THR A 86 86.107 -11.797 4.699 1.00 0.00 C ATOM 880 C THR A 86 85.353 -11.661 6.022 1.00 0.00 C ATOM 881 O THR A 86 85.777 -10.965 6.924 1.00 0.00 O ATOM 882 CB THR A 86 87.153 -12.905 4.785 1.00 0.00 C ATOM 883 OG1 THR A 86 88.344 -12.391 5.365 1.00 0.00 O ATOM 884 CG2 THR A 86 87.448 -13.434 3.384 1.00 0.00 C ATOM 0 H THR A 86 87.701 -10.408 4.982 1.00 0.00 H new ATOM 0 HA THR A 86 85.360 -12.005 3.933 1.00 0.00 H new ATOM 0 HB THR A 86 86.774 -13.717 5.405 1.00 0.00 H new ATOM 0 HG1 THR A 86 89.014 -13.104 5.421 1.00 0.00 H new ATOM 0 HG21 THR A 86 88.195 -14.226 3.444 1.00 0.00 H new ATOM 0 HG22 THR A 86 86.533 -13.831 2.945 1.00 0.00 H new ATOM 0 HG23 THR A 86 87.827 -12.624 2.761 1.00 0.00 H new ATOM 892 N ARG A 87 84.236 -12.322 6.142 1.00 0.00 N ATOM 893 CA ARG A 87 83.448 -12.233 7.405 1.00 0.00 C ATOM 894 C ARG A 87 84.379 -12.308 8.618 1.00 0.00 C ATOM 895 O ARG A 87 84.088 -11.777 9.671 1.00 0.00 O ATOM 896 CB ARG A 87 82.510 -13.441 7.375 1.00 0.00 C ATOM 897 CG ARG A 87 81.780 -13.548 8.715 1.00 0.00 C ATOM 898 CD ARG A 87 81.052 -14.892 8.796 1.00 0.00 C ATOM 899 NE ARG A 87 80.523 -14.956 10.187 1.00 0.00 N ATOM 900 CZ ARG A 87 80.471 -16.099 10.813 1.00 0.00 C ATOM 901 NH1 ARG A 87 80.244 -17.199 10.148 1.00 0.00 N ATOM 902 NH2 ARG A 87 80.647 -16.143 12.106 1.00 0.00 N ATOM 0 H ARG A 87 83.834 -12.920 5.421 1.00 0.00 H new ATOM 0 HA ARG A 87 82.901 -11.294 7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 87 81.790 -13.337 6.563 1.00 0.00 H new ATOM 0 HB3 ARG A 87 83.077 -14.352 7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 87 82.491 -13.458 9.536 1.00 0.00 H new ATOM 0 HG3 ARG A 87 81.067 -12.730 8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 87 80.247 -14.950 8.064 1.00 0.00 H new ATOM 0 HD3 ARG A 87 81.729 -15.721 8.592 1.00 0.00 H new ATOM 0 HE ARG A 87 80.201 -14.106 10.650 1.00 0.00 H new ATOM 0 HH11 ARG A 87 80.107 -17.165 9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 87 80.204 -18.092 10.639 1.00 0.00 H new ATOM 0 HH21 ARG A 87 80.825 -15.284 12.626 1.00 0.00 H new ATOM 0 HH22 ARG A 87 80.606 -17.037 12.596 1.00 0.00 H new ATOM 916 N GLY A 88 85.499 -12.964 8.477 1.00 0.00 N ATOM 917 CA GLY A 88 86.446 -13.070 9.621 1.00 0.00 C ATOM 918 C GLY A 88 86.590 -11.704 10.293 1.00 0.00 C ATOM 919 O GLY A 88 86.814 -11.607 11.484 1.00 0.00 O ATOM 0 H GLY A 88 85.798 -13.430 7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 88 86.083 -13.804 10.340 1.00 0.00 H new ATOM 0 HA3 GLY A 88 87.418 -13.419 9.271 1.00 0.00 H new ATOM 923 N SER A 89 86.462 -10.646 9.540 1.00 0.00 N ATOM 924 CA SER A 89 86.592 -9.285 10.135 1.00 0.00 C ATOM 925 C SER A 89 85.591 -8.326 9.483 1.00 0.00 C ATOM 926 O SER A 89 85.965 -7.393 8.801 1.00 0.00 O ATOM 927 CB SER A 89 88.027 -8.854 9.829 1.00 0.00 C ATOM 928 OG SER A 89 88.399 -7.796 10.701 1.00 0.00 O ATOM 0 H SER A 89 86.273 -10.665 8.538 1.00 0.00 H new ATOM 0 HA SER A 89 86.385 -9.280 11.205 1.00 0.00 H new ATOM 0 HB2 SER A 89 88.706 -9.698 9.953 1.00 0.00 H new ATOM 0 HB3 SER A 89 88.107 -8.530 8.791 1.00 0.00 H new ATOM 0 HG SER A 89 89.319 -7.520 10.507 1.00 0.00 H new ATOM 934 N MET A 90 84.321 -8.548 9.688 1.00 0.00 N ATOM 935 CA MET A 90 83.299 -7.649 9.080 1.00 0.00 C ATOM 936 C MET A 90 82.248 -7.262 10.124 1.00 0.00 C ATOM 937 O MET A 90 81.101 -7.019 9.804 1.00 0.00 O ATOM 938 CB MET A 90 82.663 -8.473 7.961 1.00 0.00 C ATOM 939 CG MET A 90 81.877 -7.548 7.031 1.00 0.00 C ATOM 940 SD MET A 90 81.747 -8.307 5.393 1.00 0.00 S ATOM 941 CE MET A 90 82.763 -7.103 4.502 1.00 0.00 C ATOM 0 H MET A 90 83.947 -9.313 10.250 1.00 0.00 H new ATOM 0 HA MET A 90 83.734 -6.722 8.707 1.00 0.00 H new ATOM 0 HB2 MET A 90 83.434 -9.001 7.400 1.00 0.00 H new ATOM 0 HB3 MET A 90 82.002 -9.230 8.383 1.00 0.00 H new ATOM 0 HG2 MET A 90 80.883 -7.365 7.438 1.00 0.00 H new ATOM 0 HG3 MET A 90 82.375 -6.581 6.957 1.00 0.00 H new ATOM 0 HE1 MET A 90 83.085 -7.531 3.553 1.00 0.00 H new ATOM 0 HE2 MET A 90 82.179 -6.202 4.314 1.00 0.00 H new ATOM 0 HE3 MET A 90 83.637 -6.850 5.102 1.00 0.00 H new ATOM 951 N VAL A 91 82.630 -7.202 11.370 1.00 0.00 N ATOM 952 CA VAL A 91 81.652 -6.832 12.435 1.00 0.00 C ATOM 953 C VAL A 91 80.395 -7.701 12.313 1.00 0.00 C ATOM 954 O VAL A 91 80.372 -8.673 11.584 1.00 0.00 O ATOM 955 CB VAL A 91 81.313 -5.356 12.186 1.00 0.00 C ATOM 956 CG1 VAL A 91 80.793 -4.727 13.482 1.00 0.00 C ATOM 957 CG2 VAL A 91 82.565 -4.600 11.729 1.00 0.00 C ATOM 0 H VAL A 91 83.577 -7.393 11.698 1.00 0.00 H new ATOM 0 HA VAL A 91 82.056 -6.986 13.436 1.00 0.00 H new ATOM 0 HB VAL A 91 80.550 -5.293 11.410 1.00 0.00 H new ATOM 0 HG11 VAL A 91 80.552 -3.679 13.306 1.00 0.00 H new ATOM 0 HG12 VAL A 91 79.898 -5.255 13.809 1.00 0.00 H new ATOM 0 HG13 VAL A 91 81.559 -4.799 14.254 1.00 0.00 H new ATOM 0 HG21 VAL A 91 82.315 -3.554 11.555 1.00 0.00 H new ATOM 0 HG22 VAL A 91 83.332 -4.666 12.501 1.00 0.00 H new ATOM 0 HG23 VAL A 91 82.940 -5.042 10.806 1.00 0.00 H new ATOM 967 N GLY A 92 79.353 -7.366 13.025 1.00 0.00 N ATOM 968 CA GLY A 92 78.106 -8.181 12.952 1.00 0.00 C ATOM 969 C GLY A 92 77.216 -7.685 11.804 1.00 0.00 C ATOM 970 O GLY A 92 77.038 -8.379 10.821 1.00 0.00 O ATOM 0 H GLY A 92 79.311 -6.564 13.654 1.00 0.00 H new ATOM 0 HA2 GLY A 92 78.357 -9.231 12.800 1.00 0.00 H new ATOM 0 HA3 GLY A 92 77.565 -8.116 13.896 1.00 0.00 H new ATOM 974 N PRO A 93 76.671 -6.503 11.966 1.00 0.00 N ATOM 975 CA PRO A 93 75.779 -5.922 10.932 1.00 0.00 C ATOM 976 C PRO A 93 76.519 -5.749 9.600 1.00 0.00 C ATOM 977 O PRO A 93 76.057 -6.182 8.562 1.00 0.00 O ATOM 978 CB PRO A 93 75.402 -4.566 11.535 1.00 0.00 C ATOM 979 CG PRO A 93 76.097 -4.421 12.903 1.00 0.00 C ATOM 980 CD PRO A 93 76.916 -5.688 13.181 1.00 0.00 C ATOM 0 HA PRO A 93 74.916 -6.547 10.703 1.00 0.00 H new ATOM 0 HB2 PRO A 93 75.707 -3.759 10.869 1.00 0.00 H new ATOM 0 HB3 PRO A 93 74.321 -4.492 11.651 1.00 0.00 H new ATOM 0 HG2 PRO A 93 76.745 -3.545 12.905 1.00 0.00 H new ATOM 0 HG3 PRO A 93 75.356 -4.271 13.688 1.00 0.00 H new ATOM 0 HD2 PRO A 93 77.975 -5.466 13.314 1.00 0.00 H new ATOM 0 HD3 PRO A 93 76.582 -6.197 14.085 1.00 0.00 H new ATOM 988 N PHE A 94 77.661 -5.115 9.621 1.00 0.00 N ATOM 989 CA PHE A 94 78.428 -4.909 8.358 1.00 0.00 C ATOM 990 C PHE A 94 78.388 -6.174 7.494 1.00 0.00 C ATOM 991 O PHE A 94 78.357 -6.108 6.281 1.00 0.00 O ATOM 992 CB PHE A 94 79.858 -4.616 8.812 1.00 0.00 C ATOM 993 CG PHE A 94 80.346 -3.340 8.168 1.00 0.00 C ATOM 994 CD1 PHE A 94 79.604 -2.159 8.294 1.00 0.00 C ATOM 995 CD2 PHE A 94 81.548 -3.337 7.448 1.00 0.00 C ATOM 996 CE1 PHE A 94 80.062 -0.977 7.700 1.00 0.00 C ATOM 997 CE2 PHE A 94 82.006 -2.155 6.854 1.00 0.00 C ATOM 998 CZ PHE A 94 81.262 -0.975 6.980 1.00 0.00 C ATOM 0 H PHE A 94 78.096 -4.730 10.459 1.00 0.00 H new ATOM 0 HA PHE A 94 78.015 -4.102 7.752 1.00 0.00 H new ATOM 0 HB2 PHE A 94 79.893 -4.523 9.897 1.00 0.00 H new ATOM 0 HB3 PHE A 94 80.513 -5.445 8.541 1.00 0.00 H new ATOM 0 HD1 PHE A 94 78.678 -2.160 8.850 1.00 0.00 H new ATOM 0 HD2 PHE A 94 82.121 -4.247 7.351 1.00 0.00 H new ATOM 0 HE1 PHE A 94 79.489 -0.067 7.797 1.00 0.00 H new ATOM 0 HE2 PHE A 94 82.932 -2.153 6.299 1.00 0.00 H new ATOM 0 HZ PHE A 94 81.615 -0.063 6.521 1.00 0.00 H new ATOM 1008 N GLN A 95 78.390 -7.326 8.109 1.00 0.00 N ATOM 1009 CA GLN A 95 78.352 -8.593 7.322 1.00 0.00 C ATOM 1010 C GLN A 95 76.901 -9.023 7.084 1.00 0.00 C ATOM 1011 O GLN A 95 76.581 -9.640 6.087 1.00 0.00 O ATOM 1012 CB GLN A 95 79.081 -9.618 8.192 1.00 0.00 C ATOM 1013 CG GLN A 95 78.930 -11.014 7.584 1.00 0.00 C ATOM 1014 CD GLN A 95 78.775 -12.044 8.705 1.00 0.00 C ATOM 1015 OE1 GLN A 95 79.238 -11.832 9.808 1.00 0.00 O ATOM 1016 NE2 GLN A 95 78.139 -13.158 8.468 1.00 0.00 N ATOM 0 H GLN A 95 78.416 -7.445 9.122 1.00 0.00 H new ATOM 0 HA GLN A 95 78.816 -8.487 6.341 1.00 0.00 H new ATOM 0 HB2 GLN A 95 80.137 -9.357 8.270 1.00 0.00 H new ATOM 0 HB3 GLN A 95 78.674 -9.606 9.203 1.00 0.00 H new ATOM 0 HG2 GLN A 95 78.062 -11.044 6.926 1.00 0.00 H new ATOM 0 HG3 GLN A 95 79.801 -11.253 6.974 1.00 0.00 H new ATOM 0 HE21 GLN A 95 77.750 -13.336 7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 95 78.031 -13.851 9.209 1.00 0.00 H new ATOM 1025 N GLU A 96 76.023 -8.705 7.995 1.00 0.00 N ATOM 1026 CA GLU A 96 74.594 -9.098 7.827 1.00 0.00 C ATOM 1027 C GLU A 96 74.112 -8.780 6.408 1.00 0.00 C ATOM 1028 O GLU A 96 73.527 -9.609 5.742 1.00 0.00 O ATOM 1029 CB GLU A 96 73.832 -8.258 8.852 1.00 0.00 C ATOM 1030 CG GLU A 96 73.543 -9.103 10.094 1.00 0.00 C ATOM 1031 CD GLU A 96 72.252 -8.613 10.753 1.00 0.00 C ATOM 1032 OE1 GLU A 96 71.458 -7.992 10.065 1.00 0.00 O ATOM 1033 OE2 GLU A 96 72.079 -8.868 11.933 1.00 0.00 O ATOM 0 H GLU A 96 76.233 -8.189 8.850 1.00 0.00 H new ATOM 0 HA GLU A 96 74.442 -10.167 7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 96 74.417 -7.380 9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 96 72.899 -7.897 8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 96 73.448 -10.153 9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 96 74.373 -9.032 10.797 1.00 0.00 H new ATOM 1040 N ALA A 97 74.345 -7.582 5.945 1.00 0.00 N ATOM 1041 CA ALA A 97 73.890 -7.213 4.573 1.00 0.00 C ATOM 1042 C ALA A 97 74.950 -7.587 3.534 1.00 0.00 C ATOM 1043 O ALA A 97 74.856 -8.606 2.879 1.00 0.00 O ATOM 1044 CB ALA A 97 73.700 -5.696 4.617 1.00 0.00 C ATOM 0 H ALA A 97 74.830 -6.844 6.456 1.00 0.00 H new ATOM 0 HA ALA A 97 72.976 -7.736 4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.364 -5.343 3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 97 72.954 -5.444 5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 97 74.646 -5.218 4.870 1.00 0.00 H new ATOM 1050 N ALA A 98 75.948 -6.758 3.378 1.00 0.00 N ATOM 1051 CA ALA A 98 77.028 -7.032 2.380 1.00 0.00 C ATOM 1052 C ALA A 98 77.305 -8.536 2.262 1.00 0.00 C ATOM 1053 O ALA A 98 77.392 -9.074 1.176 1.00 0.00 O ATOM 1054 CB ALA A 98 78.258 -6.306 2.926 1.00 0.00 C ATOM 0 H ALA A 98 76.064 -5.892 3.905 1.00 0.00 H new ATOM 0 HA ALA A 98 76.751 -6.692 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 98 79.100 -6.457 2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.045 -5.240 3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.508 -6.703 3.910 1.00 0.00 H new ATOM 1060 N PHE A 99 77.444 -9.219 3.365 1.00 0.00 N ATOM 1061 CA PHE A 99 77.716 -10.684 3.298 1.00 0.00 C ATOM 1062 C PHE A 99 76.407 -11.460 3.137 1.00 0.00 C ATOM 1063 O PHE A 99 76.179 -12.457 3.793 1.00 0.00 O ATOM 1064 CB PHE A 99 78.385 -11.027 4.630 1.00 0.00 C ATOM 1065 CG PHE A 99 79.691 -11.735 4.364 1.00 0.00 C ATOM 1066 CD1 PHE A 99 80.772 -11.028 3.823 1.00 0.00 C ATOM 1067 CD2 PHE A 99 79.822 -13.098 4.654 1.00 0.00 C ATOM 1068 CE1 PHE A 99 81.982 -11.683 3.573 1.00 0.00 C ATOM 1069 CE2 PHE A 99 81.034 -13.754 4.405 1.00 0.00 C ATOM 1070 CZ PHE A 99 82.115 -13.046 3.865 1.00 0.00 C ATOM 0 H PHE A 99 77.382 -8.829 4.306 1.00 0.00 H new ATOM 0 HA PHE A 99 78.346 -10.947 2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 99 78.561 -10.119 5.206 1.00 0.00 H new ATOM 0 HB3 PHE A 99 77.729 -11.661 5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 99 80.671 -9.976 3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 99 78.988 -13.644 5.070 1.00 0.00 H new ATOM 0 HE1 PHE A 99 82.815 -11.137 3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 99 81.135 -14.806 4.629 1.00 0.00 H new ATOM 0 HZ PHE A 99 83.050 -13.551 3.674 1.00 0.00 H new ATOM 1080 N ALA A 100 75.547 -11.013 2.263 1.00 0.00 N ATOM 1081 CA ALA A 100 74.253 -11.727 2.057 1.00 0.00 C ATOM 1082 C ALA A 100 73.634 -11.322 0.717 1.00 0.00 C ATOM 1083 O ALA A 100 73.088 -12.139 0.002 1.00 0.00 O ATOM 1084 CB ALA A 100 73.362 -11.281 3.216 1.00 0.00 C ATOM 0 H ALA A 100 75.683 -10.185 1.683 1.00 0.00 H new ATOM 0 HA ALA A 100 74.379 -12.810 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 100 72.389 -11.765 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 100 73.828 -11.560 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 100 73.233 -10.199 3.180 1.00 0.00 H new ATOM 1090 N LEU A 101 73.707 -10.064 0.375 1.00 0.00 N ATOM 1091 CA LEU A 101 73.118 -9.604 -0.911 1.00 0.00 C ATOM 1092 C LEU A 101 74.201 -9.532 -2.003 1.00 0.00 C ATOM 1093 O LEU A 101 75.376 -9.642 -1.711 1.00 0.00 O ATOM 1094 CB LEU A 101 72.536 -8.224 -0.585 1.00 0.00 C ATOM 1095 CG LEU A 101 73.626 -7.150 -0.640 1.00 0.00 C ATOM 1096 CD1 LEU A 101 73.284 -6.142 -1.739 1.00 0.00 C ATOM 1097 CD2 LEU A 101 73.693 -6.429 0.707 1.00 0.00 C ATOM 0 H LEU A 101 74.151 -9.335 0.934 1.00 0.00 H new ATOM 0 HA LEU A 101 72.356 -10.279 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 101 71.744 -7.982 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 101 72.084 -8.240 0.407 1.00 0.00 H new ATOM 0 HG LEU A 101 74.589 -7.613 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 101 74.057 -5.375 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 101 73.228 -6.655 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 101 72.323 -5.677 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 101 74.468 -5.663 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 101 72.731 -5.962 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 101 73.928 -7.147 1.493 1.00 0.00 H new ATOM 1109 N PRO A 102 73.771 -9.358 -3.230 1.00 0.00 N ATOM 1110 CA PRO A 102 74.716 -9.287 -4.374 1.00 0.00 C ATOM 1111 C PRO A 102 75.634 -8.067 -4.246 1.00 0.00 C ATOM 1112 O PRO A 102 75.436 -7.217 -3.402 1.00 0.00 O ATOM 1113 CB PRO A 102 73.777 -9.118 -5.573 1.00 0.00 C ATOM 1114 CG PRO A 102 72.323 -9.081 -5.063 1.00 0.00 C ATOM 1115 CD PRO A 102 72.327 -9.227 -3.539 1.00 0.00 C ATOM 0 HA PRO A 102 75.372 -10.154 -4.446 1.00 0.00 H new ATOM 0 HB2 PRO A 102 74.012 -8.199 -6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 102 73.910 -9.941 -6.276 1.00 0.00 H new ATOM 0 HG2 PRO A 102 71.847 -8.144 -5.350 1.00 0.00 H new ATOM 0 HG3 PRO A 102 71.744 -9.885 -5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 102 71.884 -8.360 -3.048 1.00 0.00 H new ATOM 0 HD3 PRO A 102 71.762 -10.101 -3.214 1.00 0.00 H new ATOM 1123 N VAL A 103 76.627 -7.959 -5.090 1.00 0.00 N ATOM 1124 CA VAL A 103 77.524 -6.789 -5.025 1.00 0.00 C ATOM 1125 C VAL A 103 76.887 -5.628 -5.786 1.00 0.00 C ATOM 1126 O VAL A 103 75.880 -5.793 -6.444 1.00 0.00 O ATOM 1127 CB VAL A 103 78.828 -7.231 -5.690 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.644 -8.070 -4.710 1.00 0.00 C ATOM 1129 CG2 VAL A 103 78.566 -8.034 -6.959 1.00 0.00 C ATOM 0 H VAL A 103 76.848 -8.637 -5.819 1.00 0.00 H new ATOM 0 HA VAL A 103 77.704 -6.453 -4.004 1.00 0.00 H new ATOM 0 HB VAL A 103 79.385 -6.336 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 103 80.573 -8.384 -5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 103 79.872 -7.476 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 103 79.070 -8.950 -4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 103 79.516 -8.331 -7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 103 77.986 -8.924 -6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 103 78.008 -7.422 -7.668 1.00 0.00 H new ATOM 1139 N SER A 104 77.459 -4.457 -5.699 1.00 0.00 N ATOM 1140 CA SER A 104 76.877 -3.273 -6.415 1.00 0.00 C ATOM 1141 C SER A 104 77.475 -1.969 -5.872 1.00 0.00 C ATOM 1142 O SER A 104 78.485 -1.492 -6.352 1.00 0.00 O ATOM 1143 CB SER A 104 75.378 -3.322 -6.113 1.00 0.00 C ATOM 1144 OG SER A 104 74.696 -3.944 -7.191 1.00 0.00 O ATOM 0 H SER A 104 78.305 -4.264 -5.164 1.00 0.00 H new ATOM 0 HA SER A 104 77.087 -3.303 -7.484 1.00 0.00 H new ATOM 0 HB2 SER A 104 75.200 -3.874 -5.190 1.00 0.00 H new ATOM 0 HB3 SER A 104 74.994 -2.313 -5.960 1.00 0.00 H new ATOM 0 HG SER A 104 74.773 -4.918 -7.108 1.00 0.00 H new ATOM 1150 N GLY A 105 76.861 -1.392 -4.869 1.00 0.00 N ATOM 1151 CA GLY A 105 77.395 -0.129 -4.294 1.00 0.00 C ATOM 1152 C GLY A 105 77.054 1.059 -5.197 1.00 0.00 C ATOM 1153 O GLY A 105 76.555 0.896 -6.290 1.00 0.00 O ATOM 0 H GLY A 105 76.013 -1.745 -4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 105 76.976 0.030 -3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 105 78.476 -0.205 -4.176 1.00 0.00 H new ATOM 1157 N MET A 106 77.340 2.254 -4.740 1.00 0.00 N ATOM 1158 CA MET A 106 77.066 3.475 -5.554 1.00 0.00 C ATOM 1159 C MET A 106 75.554 3.723 -5.705 1.00 0.00 C ATOM 1160 O MET A 106 74.857 3.936 -4.734 1.00 0.00 O ATOM 1161 CB MET A 106 77.727 3.196 -6.901 1.00 0.00 C ATOM 1162 CG MET A 106 77.803 4.491 -7.712 1.00 0.00 C ATOM 1163 SD MET A 106 77.411 4.139 -9.444 1.00 0.00 S ATOM 1164 CE MET A 106 76.372 5.591 -9.737 1.00 0.00 C ATOM 0 H MET A 106 77.756 2.435 -3.827 1.00 0.00 H new ATOM 0 HA MET A 106 77.459 4.378 -5.086 1.00 0.00 H new ATOM 0 HB2 MET A 106 78.727 2.790 -6.750 1.00 0.00 H new ATOM 0 HB3 MET A 106 77.158 2.445 -7.448 1.00 0.00 H new ATOM 0 HG2 MET A 106 77.104 5.226 -7.311 1.00 0.00 H new ATOM 0 HG3 MET A 106 78.800 4.924 -7.634 1.00 0.00 H new ATOM 0 HE1 MET A 106 75.544 5.320 -10.393 1.00 0.00 H new ATOM 0 HE2 MET A 106 75.979 5.955 -8.788 1.00 0.00 H new ATOM 0 HE3 MET A 106 76.966 6.374 -10.208 1.00 0.00 H new ATOM 1174 N ASP A 107 75.043 3.726 -6.914 1.00 0.00 N ATOM 1175 CA ASP A 107 73.583 3.994 -7.111 1.00 0.00 C ATOM 1176 C ASP A 107 72.727 2.793 -6.695 1.00 0.00 C ATOM 1177 O ASP A 107 71.853 2.367 -7.424 1.00 0.00 O ATOM 1178 CB ASP A 107 73.436 4.254 -8.611 1.00 0.00 C ATOM 1179 CG ASP A 107 72.027 4.777 -8.901 1.00 0.00 C ATOM 1180 OD1 ASP A 107 71.412 5.303 -7.987 1.00 0.00 O ATOM 1181 OD2 ASP A 107 71.589 4.643 -10.031 1.00 0.00 O ATOM 0 H ASP A 107 75.572 3.555 -7.769 1.00 0.00 H new ATOM 0 HA ASP A 107 73.245 4.831 -6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 107 74.180 4.980 -8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 107 73.617 3.336 -9.170 1.00 0.00 H new ATOM 1186 N LYS A 108 72.954 2.261 -5.523 1.00 0.00 N ATOM 1187 CA LYS A 108 72.143 1.100 -5.042 1.00 0.00 C ATOM 1188 C LYS A 108 71.763 0.155 -6.192 1.00 0.00 C ATOM 1189 O LYS A 108 70.596 -0.114 -6.399 1.00 0.00 O ATOM 1190 CB LYS A 108 70.884 1.738 -4.456 1.00 0.00 C ATOM 1191 CG LYS A 108 69.944 0.642 -3.955 1.00 0.00 C ATOM 1192 CD LYS A 108 68.563 0.832 -4.585 1.00 0.00 C ATOM 1193 CE LYS A 108 68.069 -0.503 -5.146 1.00 0.00 C ATOM 1194 NZ LYS A 108 66.721 -0.695 -4.540 1.00 0.00 N ATOM 0 H LYS A 108 73.671 2.582 -4.873 1.00 0.00 H new ATOM 0 HA LYS A 108 72.696 0.495 -4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 108 71.150 2.407 -3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 108 70.384 2.343 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 108 70.342 -0.340 -4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 108 69.869 0.680 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 108 67.861 1.208 -3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 108 68.614 1.576 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 108 68.014 -0.479 -6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 108 68.742 -1.318 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 66.150 -1.313 -5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 66.821 -1.133 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 66.250 0.227 -4.443 1.00 0.00 H new ATOM 1208 N PRO A 109 72.749 -0.327 -6.907 1.00 0.00 N ATOM 1209 CA PRO A 109 72.483 -1.250 -8.037 1.00 0.00 C ATOM 1210 C PRO A 109 71.893 -2.575 -7.531 1.00 0.00 C ATOM 1211 O PRO A 109 71.255 -3.299 -8.270 1.00 0.00 O ATOM 1212 CB PRO A 109 73.877 -1.468 -8.628 1.00 0.00 C ATOM 1213 CG PRO A 109 74.899 -0.665 -7.800 1.00 0.00 C ATOM 1214 CD PRO A 109 74.166 0.020 -6.639 1.00 0.00 C ATOM 0 HA PRO A 109 71.763 -0.860 -8.756 1.00 0.00 H new ATOM 0 HB2 PRO A 109 74.131 -2.528 -8.615 1.00 0.00 H new ATOM 0 HB3 PRO A 109 73.900 -1.147 -9.669 1.00 0.00 H new ATOM 0 HG2 PRO A 109 75.677 -1.325 -7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 109 75.391 0.079 -8.427 1.00 0.00 H new ATOM 0 HD2 PRO A 109 74.500 -0.354 -5.671 1.00 0.00 H new ATOM 0 HD3 PRO A 109 74.327 1.098 -6.637 1.00 0.00 H new ATOM 1222 N VAL A 110 72.116 -2.907 -6.286 1.00 0.00 N ATOM 1223 CA VAL A 110 71.583 -4.193 -5.750 1.00 0.00 C ATOM 1224 C VAL A 110 70.137 -4.037 -5.260 1.00 0.00 C ATOM 1225 O VAL A 110 69.426 -3.136 -5.660 1.00 0.00 O ATOM 1226 CB VAL A 110 72.542 -4.561 -4.606 1.00 0.00 C ATOM 1227 CG1 VAL A 110 71.962 -4.187 -3.237 1.00 0.00 C ATOM 1228 CG2 VAL A 110 72.797 -6.064 -4.641 1.00 0.00 C ATOM 0 H VAL A 110 72.643 -2.344 -5.619 1.00 0.00 H new ATOM 0 HA VAL A 110 71.541 -4.974 -6.509 1.00 0.00 H new ATOM 0 HB VAL A 110 73.468 -4.004 -4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 110 72.669 -4.463 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 110 71.781 -3.113 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 110 71.023 -4.719 -3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 110 73.476 -6.337 -3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 110 71.854 -6.596 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 110 73.243 -6.335 -5.598 1.00 0.00 H new ATOM 1238 N PHE A 111 69.699 -4.923 -4.404 1.00 0.00 N ATOM 1239 CA PHE A 111 68.302 -4.847 -3.894 1.00 0.00 C ATOM 1240 C PHE A 111 68.200 -3.937 -2.668 1.00 0.00 C ATOM 1241 O PHE A 111 67.344 -3.077 -2.595 1.00 0.00 O ATOM 1242 CB PHE A 111 67.940 -6.285 -3.519 1.00 0.00 C ATOM 1243 CG PHE A 111 67.826 -7.118 -4.773 1.00 0.00 C ATOM 1244 CD1 PHE A 111 68.979 -7.618 -5.389 1.00 0.00 C ATOM 1245 CD2 PHE A 111 66.566 -7.392 -5.318 1.00 0.00 C ATOM 1246 CE1 PHE A 111 68.874 -8.392 -6.551 1.00 0.00 C ATOM 1247 CE2 PHE A 111 66.460 -8.166 -6.480 1.00 0.00 C ATOM 1248 CZ PHE A 111 67.614 -8.666 -7.096 1.00 0.00 C ATOM 0 H PHE A 111 70.252 -5.697 -4.036 1.00 0.00 H new ATOM 0 HA PHE A 111 67.629 -4.426 -4.641 1.00 0.00 H new ATOM 0 HB2 PHE A 111 68.701 -6.703 -2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 111 66.998 -6.303 -2.971 1.00 0.00 H new ATOM 0 HD1 PHE A 111 69.951 -7.407 -4.968 1.00 0.00 H new ATOM 0 HD2 PHE A 111 65.676 -7.007 -4.842 1.00 0.00 H new ATOM 0 HE1 PHE A 111 69.764 -8.777 -7.026 1.00 0.00 H new ATOM 0 HE2 PHE A 111 65.488 -8.377 -6.901 1.00 0.00 H new ATOM 0 HZ PHE A 111 67.532 -9.263 -7.992 1.00 0.00 H new ATOM 1258 N THR A 112 69.047 -4.125 -1.698 1.00 0.00 N ATOM 1259 CA THR A 112 68.969 -3.272 -0.475 1.00 0.00 C ATOM 1260 C THR A 112 69.363 -1.831 -0.789 1.00 0.00 C ATOM 1261 O THR A 112 69.430 -1.422 -1.931 1.00 0.00 O ATOM 1262 CB THR A 112 69.958 -3.883 0.521 1.00 0.00 C ATOM 1263 OG1 THR A 112 69.695 -3.368 1.819 1.00 0.00 O ATOM 1264 CG2 THR A 112 71.390 -3.529 0.113 1.00 0.00 C ATOM 0 H THR A 112 69.787 -4.827 -1.695 1.00 0.00 H new ATOM 0 HA THR A 112 67.954 -3.244 -0.078 1.00 0.00 H new ATOM 0 HB THR A 112 69.844 -4.967 0.525 1.00 0.00 H new ATOM 0 HG1 THR A 112 70.325 -3.758 2.460 1.00 0.00 H new ATOM 0 HG21 THR A 112 72.090 -3.966 0.825 1.00 0.00 H new ATOM 0 HG22 THR A 112 71.592 -3.923 -0.883 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.509 -2.446 0.106 1.00 0.00 H new ATOM 1272 N ASP A 113 69.637 -1.066 0.229 1.00 0.00 N ATOM 1273 CA ASP A 113 70.044 0.352 0.020 1.00 0.00 C ATOM 1274 C ASP A 113 71.477 0.547 0.523 1.00 0.00 C ATOM 1275 O ASP A 113 71.866 -0.054 1.503 1.00 0.00 O ATOM 1276 CB ASP A 113 69.063 1.177 0.853 1.00 0.00 C ATOM 1277 CG ASP A 113 67.630 0.760 0.517 1.00 0.00 C ATOM 1278 OD1 ASP A 113 67.175 1.096 -0.564 1.00 0.00 O ATOM 1279 OD2 ASP A 113 67.012 0.111 1.345 1.00 0.00 O ATOM 0 H ASP A 113 69.596 -1.363 1.204 1.00 0.00 H new ATOM 0 HA ASP A 113 70.022 0.647 -1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 113 69.257 1.028 1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 113 69.201 2.239 0.650 1.00 0.00 H new ATOM 1284 N PRO A 114 72.229 1.370 -0.164 1.00 0.00 N ATOM 1285 CA PRO A 114 73.630 1.617 0.231 1.00 0.00 C ATOM 1286 C PRO A 114 73.730 2.178 1.658 1.00 0.00 C ATOM 1287 O PRO A 114 74.426 1.617 2.477 1.00 0.00 O ATOM 1288 CB PRO A 114 74.118 2.608 -0.833 1.00 0.00 C ATOM 1289 CG PRO A 114 72.959 2.881 -1.816 1.00 0.00 C ATOM 1290 CD PRO A 114 71.727 2.082 -1.362 1.00 0.00 C ATOM 0 HA PRO A 114 74.237 0.712 0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 114 74.444 3.537 -0.365 1.00 0.00 H new ATOM 0 HB3 PRO A 114 74.978 2.200 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 114 72.729 3.946 -1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 114 73.245 2.591 -2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 114 70.886 2.733 -1.124 1.00 0.00 H new ATOM 0 HD3 PRO A 114 71.386 1.390 -2.132 1.00 0.00 H new ATOM 1298 N PRO A 115 73.042 3.261 1.923 1.00 0.00 N ATOM 1299 CA PRO A 115 73.085 3.882 3.271 1.00 0.00 C ATOM 1300 C PRO A 115 72.492 2.933 4.316 1.00 0.00 C ATOM 1301 O PRO A 115 71.363 3.087 4.738 1.00 0.00 O ATOM 1302 CB PRO A 115 72.202 5.120 3.097 1.00 0.00 C ATOM 1303 CG PRO A 115 71.681 5.156 1.647 1.00 0.00 C ATOM 1304 CD PRO A 115 72.189 3.911 0.908 1.00 0.00 C ATOM 0 HA PRO A 115 74.093 4.115 3.615 1.00 0.00 H new ATOM 0 HB2 PRO A 115 71.368 5.090 3.798 1.00 0.00 H new ATOM 0 HB3 PRO A 115 72.771 6.024 3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 115 70.591 5.182 1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 115 72.025 6.060 1.145 1.00 0.00 H new ATOM 0 HD2 PRO A 115 71.370 3.265 0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 115 72.752 4.173 0.012 1.00 0.00 H new ATOM 1312 N VAL A 116 73.239 1.950 4.734 1.00 0.00 N ATOM 1313 CA VAL A 116 72.715 0.995 5.746 1.00 0.00 C ATOM 1314 C VAL A 116 73.212 1.379 7.143 1.00 0.00 C ATOM 1315 O VAL A 116 74.277 1.939 7.300 1.00 0.00 O ATOM 1316 CB VAL A 116 73.275 -0.367 5.332 1.00 0.00 C ATOM 1317 CG1 VAL A 116 73.140 -0.546 3.817 1.00 0.00 C ATOM 1318 CG2 VAL A 116 74.747 -0.462 5.733 1.00 0.00 C ATOM 0 H VAL A 116 74.191 1.767 4.417 1.00 0.00 H new ATOM 0 HA VAL A 116 71.626 0.992 5.787 1.00 0.00 H new ATOM 0 HB VAL A 116 72.713 -1.153 5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 116 73.541 -1.518 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 116 72.088 -0.489 3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 116 73.695 0.241 3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.143 -1.433 5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.311 0.327 5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 116 74.838 -0.347 6.813 1.00 0.00 H new ATOM 1328 N LYS A 117 72.449 1.082 8.158 1.00 0.00 N ATOM 1329 CA LYS A 117 72.882 1.431 9.540 1.00 0.00 C ATOM 1330 C LYS A 117 73.429 0.192 10.255 1.00 0.00 C ATOM 1331 O LYS A 117 73.016 -0.920 9.995 1.00 0.00 O ATOM 1332 CB LYS A 117 71.618 1.929 10.234 1.00 0.00 C ATOM 1333 CG LYS A 117 71.936 2.272 11.692 1.00 0.00 C ATOM 1334 CD LYS A 117 71.462 1.135 12.599 1.00 0.00 C ATOM 1335 CE LYS A 117 70.138 1.529 13.258 1.00 0.00 C ATOM 1336 NZ LYS A 117 69.136 0.583 12.692 1.00 0.00 N ATOM 0 H LYS A 117 71.546 0.613 8.091 1.00 0.00 H new ATOM 0 HA LYS A 117 73.676 2.178 9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 117 71.230 2.808 9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 117 70.842 1.165 10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 117 73.008 2.427 11.815 1.00 0.00 H new ATOM 0 HG3 LYS A 117 71.445 3.204 11.973 1.00 0.00 H new ATOM 0 HD2 LYS A 117 71.334 0.221 12.019 1.00 0.00 H new ATOM 0 HD3 LYS A 117 72.212 0.926 13.361 1.00 0.00 H new ATOM 0 HE2 LYS A 117 70.195 1.443 14.343 1.00 0.00 H new ATOM 0 HE3 LYS A 117 69.877 2.563 13.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 68.199 0.788 13.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 69.100 0.693 11.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 69.408 -0.393 12.927 1.00 0.00 H new ATOM 1350 N THR A 118 74.357 0.377 11.155 1.00 0.00 N ATOM 1351 CA THR A 118 74.931 -0.790 11.887 1.00 0.00 C ATOM 1352 C THR A 118 75.249 -0.405 13.334 1.00 0.00 C ATOM 1353 O THR A 118 74.588 -0.833 14.259 1.00 0.00 O ATOM 1354 CB THR A 118 76.214 -1.141 11.133 1.00 0.00 C ATOM 1355 OG1 THR A 118 77.114 -0.044 11.197 1.00 0.00 O ATOM 1356 CG2 THR A 118 75.885 -1.449 9.671 1.00 0.00 C ATOM 0 H THR A 118 74.743 1.285 11.415 1.00 0.00 H new ATOM 0 HA THR A 118 74.238 -1.631 11.927 1.00 0.00 H new ATOM 0 HB THR A 118 76.674 -2.017 11.590 1.00 0.00 H new ATOM 0 HG1 THR A 118 77.938 -0.268 10.716 1.00 0.00 H new ATOM 0 HG21 THR A 118 76.802 -1.699 9.137 1.00 0.00 H new ATOM 0 HG22 THR A 118 75.196 -2.292 9.623 1.00 0.00 H new ATOM 0 HG23 THR A 118 75.423 -0.576 9.210 1.00 0.00 H new ATOM 1364 N LYS A 119 76.257 0.399 13.536 1.00 0.00 N ATOM 1365 CA LYS A 119 76.617 0.809 14.924 1.00 0.00 C ATOM 1366 C LYS A 119 77.176 2.235 14.927 1.00 0.00 C ATOM 1367 O LYS A 119 77.982 2.594 15.762 1.00 0.00 O ATOM 1368 CB LYS A 119 77.691 -0.187 15.364 1.00 0.00 C ATOM 1369 CG LYS A 119 77.188 -0.979 16.572 1.00 0.00 C ATOM 1370 CD LYS A 119 78.289 -1.044 17.632 1.00 0.00 C ATOM 1371 CE LYS A 119 79.524 -1.729 17.045 1.00 0.00 C ATOM 1372 NZ LYS A 119 80.580 -1.567 18.084 1.00 0.00 N ATOM 0 H LYS A 119 76.847 0.790 12.801 1.00 0.00 H new ATOM 0 HA LYS A 119 75.756 0.804 15.592 1.00 0.00 H new ATOM 0 HB2 LYS A 119 77.930 -0.865 14.545 1.00 0.00 H new ATOM 0 HB3 LYS A 119 78.610 0.341 15.619 1.00 0.00 H new ATOM 0 HG2 LYS A 119 76.297 -0.506 16.986 1.00 0.00 H new ATOM 0 HG3 LYS A 119 76.902 -1.986 16.267 1.00 0.00 H new ATOM 0 HD2 LYS A 119 78.543 -0.039 17.969 1.00 0.00 H new ATOM 0 HD3 LYS A 119 77.936 -1.593 18.505 1.00 0.00 H new ATOM 0 HE2 LYS A 119 79.331 -2.782 16.838 1.00 0.00 H new ATOM 0 HE3 LYS A 119 79.822 -1.268 16.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 81.461 -2.012 17.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 80.746 -0.555 18.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 80.271 -2.021 18.967 1.00 0.00 H new ATOM 1386 N PHE A 120 76.754 3.050 14.000 1.00 0.00 N ATOM 1387 CA PHE A 120 77.261 4.452 13.951 1.00 0.00 C ATOM 1388 C PHE A 120 76.221 5.371 13.305 1.00 0.00 C ATOM 1389 O PHE A 120 75.976 6.468 13.766 1.00 0.00 O ATOM 1390 CB PHE A 120 78.525 4.384 13.095 1.00 0.00 C ATOM 1391 CG PHE A 120 79.712 4.825 13.917 1.00 0.00 C ATOM 1392 CD1 PHE A 120 79.836 6.165 14.301 1.00 0.00 C ATOM 1393 CD2 PHE A 120 80.688 3.894 14.294 1.00 0.00 C ATOM 1394 CE1 PHE A 120 80.936 6.576 15.063 1.00 0.00 C ATOM 1395 CE2 PHE A 120 81.788 4.305 15.056 1.00 0.00 C ATOM 1396 CZ PHE A 120 81.913 5.645 15.441 1.00 0.00 C ATOM 0 H PHE A 120 76.080 2.807 13.274 1.00 0.00 H new ATOM 0 HA PHE A 120 77.462 4.854 14.944 1.00 0.00 H new ATOM 0 HB2 PHE A 120 78.677 3.368 12.732 1.00 0.00 H new ATOM 0 HB3 PHE A 120 78.418 5.023 12.218 1.00 0.00 H new ATOM 0 HD1 PHE A 120 79.083 6.882 14.009 1.00 0.00 H new ATOM 0 HD2 PHE A 120 80.592 2.860 13.997 1.00 0.00 H new ATOM 0 HE1 PHE A 120 81.032 7.610 15.359 1.00 0.00 H new ATOM 0 HE2 PHE A 120 82.541 3.588 15.347 1.00 0.00 H new ATOM 0 HZ PHE A 120 82.762 5.961 16.029 1.00 0.00 H new ATOM 1406 N GLY A 121 75.608 4.932 12.239 1.00 0.00 N ATOM 1407 CA GLY A 121 74.584 5.781 11.565 1.00 0.00 C ATOM 1408 C GLY A 121 74.157 5.116 10.254 1.00 0.00 C ATOM 1409 O GLY A 121 73.419 4.152 10.249 1.00 0.00 O ATOM 0 H GLY A 121 75.772 4.023 11.806 1.00 0.00 H new ATOM 0 HA2 GLY A 121 73.720 5.915 12.216 1.00 0.00 H new ATOM 0 HA3 GLY A 121 74.991 6.773 11.367 1.00 0.00 H new ATOM 1413 N TYR A 122 74.616 5.625 9.144 1.00 0.00 N ATOM 1414 CA TYR A 122 74.242 5.023 7.832 1.00 0.00 C ATOM 1415 C TYR A 122 75.436 5.086 6.880 1.00 0.00 C ATOM 1416 O TYR A 122 75.989 6.141 6.643 1.00 0.00 O ATOM 1417 CB TYR A 122 73.095 5.892 7.310 1.00 0.00 C ATOM 1418 CG TYR A 122 71.808 5.499 7.996 1.00 0.00 C ATOM 1419 CD1 TYR A 122 71.568 5.891 9.319 1.00 0.00 C ATOM 1420 CD2 TYR A 122 70.853 4.743 7.308 1.00 0.00 C ATOM 1421 CE1 TYR A 122 70.374 5.527 9.951 1.00 0.00 C ATOM 1422 CE2 TYR A 122 69.659 4.379 7.938 1.00 0.00 C ATOM 1423 CZ TYR A 122 69.418 4.771 9.261 1.00 0.00 C ATOM 1424 OH TYR A 122 68.240 4.412 9.883 1.00 0.00 O ATOM 0 H TYR A 122 75.235 6.434 9.088 1.00 0.00 H new ATOM 0 HA TYR A 122 73.950 3.976 7.919 1.00 0.00 H new ATOM 0 HB2 TYR A 122 73.310 6.945 7.494 1.00 0.00 H new ATOM 0 HB3 TYR A 122 72.996 5.771 6.231 1.00 0.00 H new ATOM 0 HD1 TYR A 122 72.305 6.474 9.851 1.00 0.00 H new ATOM 0 HD2 TYR A 122 71.038 4.440 6.288 1.00 0.00 H new ATOM 0 HE1 TYR A 122 70.189 5.829 10.971 1.00 0.00 H new ATOM 0 HE2 TYR A 122 68.923 3.796 7.405 1.00 0.00 H new ATOM 0 HH TYR A 122 67.688 3.891 9.263 1.00 0.00 H new ATOM 1434 N HIS A 123 75.847 3.974 6.333 1.00 0.00 N ATOM 1435 CA HIS A 123 77.014 4.009 5.405 1.00 0.00 C ATOM 1436 C HIS A 123 76.676 3.320 4.084 1.00 0.00 C ATOM 1437 O HIS A 123 75.881 2.406 4.044 1.00 0.00 O ATOM 1438 CB HIS A 123 78.137 3.263 6.132 1.00 0.00 C ATOM 1439 CG HIS A 123 77.641 1.928 6.613 1.00 0.00 C ATOM 1440 ND1 HIS A 123 78.040 0.739 6.024 1.00 0.00 N ATOM 1441 CD2 HIS A 123 76.796 1.575 7.635 1.00 0.00 C ATOM 1442 CE1 HIS A 123 77.441 -0.263 6.692 1.00 0.00 C ATOM 1443 NE2 HIS A 123 76.672 0.191 7.682 1.00 0.00 N ATOM 0 H HIS A 123 75.432 3.055 6.485 1.00 0.00 H new ATOM 0 HA HIS A 123 77.302 5.031 5.158 1.00 0.00 H new ATOM 0 HB2 HIS A 123 78.986 3.125 5.462 1.00 0.00 H new ATOM 0 HB3 HIS A 123 78.490 3.855 6.977 1.00 0.00 H new ATOM 0 HD1 HIS A 123 78.672 0.641 5.229 1.00 0.00 H new ATOM 0 HD2 HIS A 123 76.302 2.267 8.301 1.00 0.00 H new ATOM 0 HE1 HIS A 123 77.568 -1.309 6.455 1.00 0.00 H new ATOM 1451 N ILE A 124 77.281 3.744 3.000 1.00 0.00 N ATOM 1452 CA ILE A 124 76.985 3.097 1.687 1.00 0.00 C ATOM 1453 C ILE A 124 77.941 1.928 1.467 1.00 0.00 C ATOM 1454 O ILE A 124 79.116 2.108 1.215 1.00 0.00 O ATOM 1455 CB ILE A 124 77.207 4.181 0.620 1.00 0.00 C ATOM 1456 CG1 ILE A 124 76.170 5.296 0.805 1.00 0.00 C ATOM 1457 CG2 ILE A 124 77.048 3.563 -0.772 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.263 6.294 -0.356 1.00 0.00 C ATOM 0 H ILE A 124 77.961 4.504 2.969 1.00 0.00 H new ATOM 0 HA ILE A 124 75.968 2.706 1.644 1.00 0.00 H new ATOM 0 HB ILE A 124 78.210 4.595 0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 124 75.168 4.869 0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.340 5.809 1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 124 77.205 4.330 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 124 77.782 2.768 -0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 124 76.044 3.151 -0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 124 75.524 7.083 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.261 6.732 -0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 124 76.071 5.777 -1.296 1.00 0.00 H new ATOM 1470 N ILE A 125 77.445 0.724 1.567 1.00 0.00 N ATOM 1471 CA ILE A 125 78.323 -0.457 1.371 1.00 0.00 C ATOM 1472 C ILE A 125 78.330 -0.852 -0.099 1.00 0.00 C ATOM 1473 O ILE A 125 77.347 -1.319 -0.640 1.00 0.00 O ATOM 1474 CB ILE A 125 77.703 -1.563 2.232 1.00 0.00 C ATOM 1475 CG1 ILE A 125 78.170 -1.406 3.679 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.134 -2.931 1.703 1.00 0.00 C ATOM 1477 CD1 ILE A 125 77.663 -2.588 4.511 1.00 0.00 C ATOM 0 H ILE A 125 76.470 0.511 1.776 1.00 0.00 H new ATOM 0 HA ILE A 125 79.357 -0.263 1.655 1.00 0.00 H new ATOM 0 HB ILE A 125 76.617 -1.486 2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 125 79.258 -1.360 3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 125 77.797 -0.469 4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 125 77.691 -3.715 2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 125 77.798 -3.045 0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 125 79.220 -3.010 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 125 77.996 -2.476 5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 125 76.574 -2.613 4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 125 78.058 -3.518 4.101 1.00 0.00 H new ATOM 1489 N MET A 126 79.437 -0.665 -0.741 1.00 0.00 N ATOM 1490 CA MET A 126 79.543 -1.016 -2.166 1.00 0.00 C ATOM 1491 C MET A 126 80.368 -2.298 -2.301 1.00 0.00 C ATOM 1492 O MET A 126 81.580 -2.266 -2.333 1.00 0.00 O ATOM 1493 CB MET A 126 80.245 0.210 -2.765 1.00 0.00 C ATOM 1494 CG MET A 126 81.271 -0.205 -3.817 1.00 0.00 C ATOM 1495 SD MET A 126 81.543 1.165 -4.971 1.00 0.00 S ATOM 1496 CE MET A 126 81.474 2.515 -3.765 1.00 0.00 C ATOM 0 H MET A 126 80.286 -0.277 -0.329 1.00 0.00 H new ATOM 0 HA MET A 126 78.597 -1.221 -2.667 1.00 0.00 H new ATOM 0 HB2 MET A 126 79.506 0.873 -3.215 1.00 0.00 H new ATOM 0 HB3 MET A 126 80.739 0.774 -1.973 1.00 0.00 H new ATOM 0 HG2 MET A 126 82.209 -0.481 -3.336 1.00 0.00 H new ATOM 0 HG3 MET A 126 80.919 -1.084 -4.356 1.00 0.00 H new ATOM 0 HE1 MET A 126 82.258 3.239 -3.985 1.00 0.00 H new ATOM 0 HE2 MET A 126 80.502 3.004 -3.822 1.00 0.00 H new ATOM 0 HE3 MET A 126 81.620 2.115 -2.762 1.00 0.00 H new ATOM 1506 N VAL A 127 79.715 -3.425 -2.380 1.00 0.00 N ATOM 1507 CA VAL A 127 80.455 -4.712 -2.508 1.00 0.00 C ATOM 1508 C VAL A 127 80.676 -5.001 -3.987 1.00 0.00 C ATOM 1509 O VAL A 127 79.799 -4.788 -4.795 1.00 0.00 O ATOM 1510 CB VAL A 127 79.530 -5.759 -1.886 1.00 0.00 C ATOM 1511 CG1 VAL A 127 80.274 -7.088 -1.763 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.089 -5.290 -0.499 1.00 0.00 C ATOM 0 H VAL A 127 78.699 -3.510 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 127 81.430 -4.701 -2.020 1.00 0.00 H new ATOM 0 HB VAL A 127 78.653 -5.892 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 127 79.615 -7.834 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 127 80.587 -7.422 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 127 81.151 -6.957 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 127 78.430 -6.036 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 127 79.965 -5.157 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 127 78.557 -4.343 -0.587 1.00 0.00 H new ATOM 1522 N GLU A 128 81.845 -5.443 -4.359 1.00 0.00 N ATOM 1523 CA GLU A 128 82.093 -5.698 -5.793 1.00 0.00 C ATOM 1524 C GLU A 128 83.127 -6.805 -6.015 1.00 0.00 C ATOM 1525 O GLU A 128 84.295 -6.561 -6.076 1.00 0.00 O ATOM 1526 CB GLU A 128 82.613 -4.370 -6.343 1.00 0.00 C ATOM 1527 CG GLU A 128 82.364 -4.313 -7.852 1.00 0.00 C ATOM 1528 CD GLU A 128 82.501 -2.869 -8.337 1.00 0.00 C ATOM 1529 OE1 GLU A 128 82.261 -1.973 -7.544 1.00 0.00 O ATOM 1530 OE2 GLU A 128 82.844 -2.682 -9.494 1.00 0.00 O ATOM 0 H GLU A 128 82.628 -5.635 -3.735 1.00 0.00 H new ATOM 0 HA GLU A 128 81.186 -6.039 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 128 82.112 -3.538 -5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 128 83.678 -4.270 -6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 128 83.077 -4.952 -8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 128 81.368 -4.692 -8.082 1.00 0.00 H new ATOM 1537 N GLY A 129 82.714 -8.009 -6.159 1.00 0.00 N ATOM 1538 CA GLY A 129 83.706 -9.086 -6.440 1.00 0.00 C ATOM 1539 C GLY A 129 83.372 -10.385 -5.723 1.00 0.00 C ATOM 1540 O GLY A 129 83.169 -11.414 -6.335 1.00 0.00 O ATOM 0 H GLY A 129 81.741 -8.310 -6.098 1.00 0.00 H new ATOM 0 HA2 GLY A 129 83.747 -9.267 -7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 129 84.698 -8.751 -6.136 1.00 0.00 H new ATOM 1544 N ARG A 130 83.354 -10.344 -4.435 1.00 0.00 N ATOM 1545 CA ARG A 130 83.089 -11.558 -3.631 1.00 0.00 C ATOM 1546 C ARG A 130 84.113 -12.648 -3.986 1.00 0.00 C ATOM 1547 O ARG A 130 84.572 -12.745 -5.106 1.00 0.00 O ATOM 1548 CB ARG A 130 81.691 -12.048 -3.967 1.00 0.00 C ATOM 1549 CG ARG A 130 80.853 -10.957 -4.638 1.00 0.00 C ATOM 1550 CD ARG A 130 79.368 -11.294 -4.484 1.00 0.00 C ATOM 1551 NE ARG A 130 78.928 -11.714 -5.843 1.00 0.00 N ATOM 1552 CZ ARG A 130 78.461 -12.918 -6.036 1.00 0.00 C ATOM 1553 NH1 ARG A 130 77.644 -13.447 -5.167 1.00 0.00 N ATOM 1554 NH2 ARG A 130 78.812 -13.592 -7.096 1.00 0.00 N ATOM 0 H ARG A 130 83.516 -9.499 -3.887 1.00 0.00 H new ATOM 0 HA ARG A 130 83.169 -11.332 -2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 130 81.758 -12.913 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 130 81.193 -12.380 -3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 130 81.067 -9.988 -4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 130 81.113 -10.880 -5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 130 79.217 -12.091 -3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 130 78.801 -10.431 -4.134 1.00 0.00 H new ATOM 0 HE ARG A 130 78.991 -11.061 -6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 130 77.371 -12.920 -4.338 1.00 0.00 H new ATOM 0 HH12 ARG A 130 77.279 -14.387 -5.317 1.00 0.00 H new ATOM 0 HH21 ARG A 130 79.452 -13.179 -7.775 1.00 0.00 H new ATOM 0 HH22 ARG A 130 78.447 -14.533 -7.246 1.00 0.00 H new ATOM 1568 N LYS A 131 84.469 -13.474 -3.048 1.00 0.00 N ATOM 1569 CA LYS A 131 85.453 -14.556 -3.334 1.00 0.00 C ATOM 1570 C LYS A 131 86.714 -13.966 -3.968 1.00 0.00 C ATOM 1571 O LYS A 131 87.329 -13.122 -3.338 1.00 0.00 O ATOM 1572 CB LYS A 131 84.749 -15.501 -4.316 1.00 0.00 C ATOM 1573 CG LYS A 131 83.231 -15.479 -4.088 1.00 0.00 C ATOM 1574 CD LYS A 131 82.917 -15.688 -2.601 1.00 0.00 C ATOM 1575 CE LYS A 131 82.914 -17.188 -2.293 1.00 0.00 C ATOM 1576 NZ LYS A 131 81.733 -17.393 -1.408 1.00 0.00 N ATOM 1577 OXT LYS A 131 87.044 -14.368 -5.071 1.00 0.00 O ATOM 0 H LYS A 131 84.121 -13.449 -2.090 1.00 0.00 H new ATOM 0 HA LYS A 131 85.763 -15.077 -2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 131 84.973 -15.204 -5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 131 85.127 -16.515 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 131 82.819 -14.528 -4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 131 82.755 -16.260 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 131 83.659 -15.180 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 131 81.948 -15.253 -2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 131 82.832 -17.779 -3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 131 83.836 -17.492 -1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 81.825 -18.302 -0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 81.682 -16.622 -0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 80.866 -17.399 -1.982 1.00 0.00 H new TER 1591 LYS A 131