USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 854 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 70 ASN : amide:sc= 1.68 K(o=1.4,f=-9.5!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.316 USER MOD Set 2.1: A 69 GLN : amide:sc= -0.536 K(o=-0.98,f=-4.6!) USER MOD Set 2.2: A 76 TYR OH : rot 150:sc= -0.44 USER MOD Set 3.1: A 37 HIS : no HD1:sc= -1.87 K(o=-6.4,f=-4.8) USER MOD Set 3.2: A 48 HIS : no HD1:sc= -4.51! C(o=-6.4!,f=-7.2!) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.187 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= -0.89 X(o=-0.89,f=-0.58) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -120:sc= -1.29 (180deg=-3.51!) USER MOD Single : A 9 LYS NZ :NH3+ -162:sc= 1.13 (180deg=0.77) USER MOD Single : A 16 ASN : amide:sc= 1.29 K(o=1.3,f=-3.2) USER MOD Single : A 18 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.7!) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 143:sc= 1.2 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -1.66 K(o=-1.7,f=-4.7!) USER MOD Single : A 30 GLN : amide:sc= -0.523 X(o=-0.52,f=-0.44) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 32 ASN : amide:sc= 0.86 K(o=0.86,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 70:sc= 1.16 USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= 1.17 (180deg=0.776) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 93:sc= 0.736 USER MOD Single : A 55 HIS : no HD1:sc=-0.00274 X(o=-0.0027,f=-0.094) USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= -0.0104 (180deg=-0.0924) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc=-0.00615 (180deg=-0.0889) USER MOD Single : A 64 SER OG : rot 105:sc= 0.0644 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 30:sc=-0.000484 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.25 USER MOD Single : A 92 LYS NZ :NH3+ -170:sc=-0.00551 (180deg=-0.0856) USER MOD Single : A 93 SER OG : rot 1:sc= 0.359 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -118:sc= -0.285 (180deg=-0.492) USER MOD Single : A 100 LYS NZ :NH3+ -163:sc= 1.21 (180deg=1.15) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.104 6.698 -2.186 1.00 0.00 N ATOM 2 CA GLY A 1 -20.578 5.870 -1.083 1.00 0.00 C ATOM 3 C GLY A 1 -19.562 4.823 -0.754 1.00 0.00 C ATOM 4 O GLY A 1 -18.502 4.787 -1.376 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.941 7.668 -1.847 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.215 6.307 -2.557 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.818 6.711 -2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.769 6.491 -0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.523 5.399 -1.352 1.00 0.00 H new ATOM 10 N ALA A 2 -19.855 3.977 0.206 1.00 0.00 N ATOM 11 CA ALA A 2 -18.945 2.910 0.571 1.00 0.00 C ATOM 12 C ALA A 2 -19.081 1.791 -0.428 1.00 0.00 C ATOM 13 O ALA A 2 -20.194 1.359 -0.724 1.00 0.00 O ATOM 14 CB ALA A 2 -19.249 2.391 1.970 1.00 0.00 C ATOM 0 H ALA A 2 -20.717 4.005 0.751 1.00 0.00 H new ATOM 0 HA ALA A 2 -17.926 3.296 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.552 1.591 2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.144 3.203 2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.269 2.008 2.002 1.00 0.00 H new ATOM 20 N HIS A 3 -17.991 1.334 -0.973 1.00 0.00 N ATOM 21 CA HIS A 3 -18.071 0.255 -1.922 1.00 0.00 C ATOM 22 C HIS A 3 -17.777 -1.031 -1.178 1.00 0.00 C ATOM 23 O HIS A 3 -16.623 -1.481 -1.105 1.00 0.00 O ATOM 24 CB HIS A 3 -17.119 0.453 -3.128 1.00 0.00 C ATOM 25 CG HIS A 3 -17.394 -0.472 -4.301 1.00 0.00 C ATOM 26 ND1 HIS A 3 -17.664 -0.018 -5.570 1.00 0.00 N ATOM 27 CD2 HIS A 3 -17.432 -1.821 -4.387 1.00 0.00 C ATOM 28 CE1 HIS A 3 -17.862 -1.040 -6.373 1.00 0.00 C ATOM 29 NE2 HIS A 3 -17.726 -2.148 -5.683 1.00 0.00 N ATOM 0 H HIS A 3 -17.051 1.682 -0.784 1.00 0.00 H new ATOM 0 HA HIS A 3 -19.072 0.222 -2.353 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -17.194 1.485 -3.469 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -16.093 0.302 -2.794 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -17.705 0.963 -5.847 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -17.261 -2.516 -3.578 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -18.097 -0.978 -7.425 1.00 0.00 H new ATOM 38 N MET A 4 -18.805 -1.559 -0.564 1.00 0.00 N ATOM 39 CA MET A 4 -18.708 -2.753 0.244 1.00 0.00 C ATOM 40 C MET A 4 -19.782 -3.721 -0.174 1.00 0.00 C ATOM 41 O MET A 4 -20.820 -3.314 -0.704 1.00 0.00 O ATOM 42 CB MET A 4 -18.903 -2.425 1.734 1.00 0.00 C ATOM 43 CG MET A 4 -17.864 -1.502 2.342 1.00 0.00 C ATOM 44 SD MET A 4 -18.187 -1.188 4.095 1.00 0.00 S ATOM 45 CE MET A 4 -16.820 -0.111 4.506 1.00 0.00 C ATOM 0 H MET A 4 -19.746 -1.168 -0.610 1.00 0.00 H new ATOM 0 HA MET A 4 -17.718 -3.186 0.100 1.00 0.00 H new ATOM 0 HB2 MET A 4 -19.886 -1.971 1.862 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.907 -3.359 2.296 1.00 0.00 H new ATOM 0 HG2 MET A 4 -16.874 -1.944 2.228 1.00 0.00 H new ATOM 0 HG3 MET A 4 -17.855 -0.557 1.799 1.00 0.00 H new ATOM 0 HE1 MET A 4 -16.881 0.170 5.558 1.00 0.00 H new ATOM 0 HE2 MET A 4 -15.880 -0.631 4.323 1.00 0.00 H new ATOM 0 HE3 MET A 4 -16.865 0.786 3.888 1.00 0.00 H new ATOM 55 N GLY A 5 -19.540 -4.978 0.048 1.00 0.00 N ATOM 56 CA GLY A 5 -20.498 -5.987 -0.265 1.00 0.00 C ATOM 57 C GLY A 5 -19.830 -7.132 -0.938 1.00 0.00 C ATOM 58 O GLY A 5 -19.348 -8.050 -0.279 1.00 0.00 O ATOM 0 H GLY A 5 -18.672 -5.330 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -20.991 -6.327 0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -21.273 -5.576 -0.912 1.00 0.00 H new ATOM 62 N GLY A 6 -19.747 -7.051 -2.229 1.00 0.00 N ATOM 63 CA GLY A 6 -19.112 -8.082 -2.996 1.00 0.00 C ATOM 64 C GLY A 6 -17.719 -7.678 -3.298 1.00 0.00 C ATOM 65 O GLY A 6 -16.771 -8.243 -2.749 1.00 0.00 O ATOM 0 H GLY A 6 -20.114 -6.275 -2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -19.119 -9.020 -2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -19.662 -8.254 -3.921 1.00 0.00 H new ATOM 69 N SER A 7 -17.564 -6.702 -4.153 1.00 0.00 N ATOM 70 CA SER A 7 -16.285 -6.152 -4.384 1.00 0.00 C ATOM 71 C SER A 7 -16.060 -5.087 -3.314 1.00 0.00 C ATOM 72 O SER A 7 -17.016 -4.455 -2.848 1.00 0.00 O ATOM 73 CB SER A 7 -16.198 -5.590 -5.801 1.00 0.00 C ATOM 74 OG SER A 7 -16.699 -6.545 -6.739 1.00 0.00 O ATOM 0 H SER A 7 -18.319 -6.281 -4.695 1.00 0.00 H new ATOM 0 HA SER A 7 -15.502 -6.907 -4.313 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.771 -4.666 -5.870 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.164 -5.342 -6.040 1.00 0.00 H new ATOM 0 HG SER A 7 -16.641 -6.175 -7.645 1.00 0.00 H new ATOM 80 N MET A 8 -14.847 -4.919 -2.908 1.00 0.00 N ATOM 81 CA MET A 8 -14.550 -4.095 -1.770 1.00 0.00 C ATOM 82 C MET A 8 -13.509 -3.082 -2.071 1.00 0.00 C ATOM 83 O MET A 8 -12.566 -3.369 -2.784 1.00 0.00 O ATOM 84 CB MET A 8 -14.049 -4.976 -0.670 1.00 0.00 C ATOM 85 CG MET A 8 -14.953 -6.139 -0.401 1.00 0.00 C ATOM 86 SD MET A 8 -14.565 -7.035 1.059 1.00 0.00 S ATOM 87 CE MET A 8 -15.746 -8.323 0.883 1.00 0.00 C ATOM 0 H MET A 8 -14.031 -5.344 -3.349 1.00 0.00 H new ATOM 0 HA MET A 8 -15.461 -3.568 -1.485 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.057 -5.345 -0.930 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.942 -4.387 0.241 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.979 -5.778 -0.329 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.913 -6.819 -1.252 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.420 -8.318 1.739 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.319 -8.169 -0.031 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.232 -9.283 0.831 1.00 0.00 H new ATOM 97 N LYS A 9 -13.684 -1.890 -1.561 1.00 0.00 N ATOM 98 CA LYS A 9 -12.677 -0.868 -1.707 1.00 0.00 C ATOM 99 C LYS A 9 -11.845 -0.867 -0.426 1.00 0.00 C ATOM 100 O LYS A 9 -12.202 -0.249 0.577 1.00 0.00 O ATOM 101 CB LYS A 9 -13.309 0.496 -2.010 1.00 0.00 C ATOM 102 CG LYS A 9 -12.372 1.540 -2.576 1.00 0.00 C ATOM 103 CD LYS A 9 -13.165 2.773 -2.975 1.00 0.00 C ATOM 104 CE LYS A 9 -12.465 3.595 -4.048 1.00 0.00 C ATOM 105 NZ LYS A 9 -11.239 4.293 -3.596 1.00 0.00 N ATOM 0 H LYS A 9 -14.513 -1.602 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.028 -1.076 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.128 0.348 -2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.746 0.886 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.617 1.805 -1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.844 1.139 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.146 2.468 -3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.330 3.395 -2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.207 2.938 -4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.166 4.335 -4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.002 5.050 -4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.401 4.705 -2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.452 3.615 -3.546 1.00 0.00 H new ATOM 119 N ILE A 10 -10.763 -1.585 -0.490 1.00 0.00 N ATOM 120 CA ILE A 10 -9.929 -1.874 0.625 1.00 0.00 C ATOM 121 C ILE A 10 -8.677 -1.040 0.585 1.00 0.00 C ATOM 122 O ILE A 10 -8.077 -0.876 -0.469 1.00 0.00 O ATOM 123 CB ILE A 10 -9.558 -3.363 0.562 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.816 -4.192 0.712 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.504 -3.735 1.593 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.633 -5.637 0.422 1.00 0.00 C ATOM 0 H ILE A 10 -10.429 -2.000 -1.360 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.458 -1.644 1.550 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.108 -3.573 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.190 -4.082 1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.581 -3.794 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.274 -4.797 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.600 -3.153 1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.882 -3.522 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.582 -6.157 0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.290 -5.761 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.893 -6.054 1.105 1.00 0.00 H new ATOM 138 N ARG A 11 -8.296 -0.523 1.718 1.00 0.00 N ATOM 139 CA ARG A 11 -7.065 0.169 1.869 1.00 0.00 C ATOM 140 C ARG A 11 -5.934 -0.784 1.821 1.00 0.00 C ATOM 141 O ARG A 11 -5.949 -1.824 2.466 1.00 0.00 O ATOM 142 CB ARG A 11 -7.025 0.899 3.198 1.00 0.00 C ATOM 143 CG ARG A 11 -7.733 2.239 3.162 1.00 0.00 C ATOM 144 CD ARG A 11 -7.634 2.932 4.498 1.00 0.00 C ATOM 145 NE ARG A 11 -8.292 2.152 5.557 1.00 0.00 N ATOM 146 CZ ARG A 11 -7.768 1.888 6.766 1.00 0.00 C ATOM 147 NH1 ARG A 11 -6.564 2.342 7.095 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.454 1.162 7.631 1.00 0.00 N ATOM 0 H ARG A 11 -8.848 -0.576 2.574 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.981 0.888 1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.484 0.273 3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.986 1.051 3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.293 2.867 2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.781 2.095 2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.585 3.084 4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.092 3.919 4.433 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.221 1.781 5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.028 2.897 6.427 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.175 2.136 8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.376 0.805 7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.062 0.958 8.550 1.00 0.00 H new ATOM 162 N VAL A 12 -4.990 -0.464 1.033 1.00 0.00 N ATOM 163 CA VAL A 12 -3.851 -1.255 0.874 1.00 0.00 C ATOM 164 C VAL A 12 -2.660 -0.459 1.309 1.00 0.00 C ATOM 165 O VAL A 12 -2.533 0.691 0.850 1.00 0.00 O ATOM 166 CB VAL A 12 -3.653 -1.543 -0.654 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.471 -2.477 -0.877 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.908 -2.152 -1.248 1.00 0.00 C ATOM 0 H VAL A 12 -4.992 0.383 0.464 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.958 -2.175 1.448 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.450 -0.595 -1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.351 -2.664 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.564 -2.016 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.650 -3.420 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.752 -2.345 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.134 -3.089 -0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.742 -1.461 -1.124 1.00 0.00 H new ATOM 178 N GLU A 13 -1.817 -0.966 2.190 1.00 0.00 N ATOM 179 CA GLU A 13 -0.591 -0.271 2.358 1.00 0.00 C ATOM 180 C GLU A 13 0.422 -0.818 1.408 1.00 0.00 C ATOM 181 O GLU A 13 0.450 -2.004 1.163 1.00 0.00 O ATOM 182 CB GLU A 13 0.108 -0.199 3.728 1.00 0.00 C ATOM 183 CG GLU A 13 -0.578 0.776 4.673 1.00 0.00 C ATOM 184 CD GLU A 13 0.044 0.862 6.046 1.00 0.00 C ATOM 185 OE1 GLU A 13 -0.247 0.007 6.891 1.00 0.00 O ATOM 186 OE2 GLU A 13 0.798 1.836 6.330 1.00 0.00 O ATOM 0 H GLU A 13 -1.957 -1.801 2.758 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.930 0.751 2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.122 -1.191 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.146 0.102 3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.568 1.768 4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.623 0.485 4.779 1.00 0.00 H new ATOM 193 N LEU A 14 1.248 0.014 0.895 1.00 0.00 N ATOM 194 CA LEU A 14 2.293 -0.404 0.004 1.00 0.00 C ATOM 195 C LEU A 14 3.632 -0.231 0.653 1.00 0.00 C ATOM 196 O LEU A 14 3.936 0.847 1.180 1.00 0.00 O ATOM 197 CB LEU A 14 2.183 0.414 -1.312 1.00 0.00 C ATOM 198 CG LEU A 14 3.312 0.371 -2.399 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.454 1.324 -2.100 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.825 -1.029 -2.638 1.00 0.00 C ATOM 0 H LEU A 14 1.228 1.018 1.076 1.00 0.00 H new ATOM 0 HA LEU A 14 2.185 -1.463 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.260 0.104 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.057 1.458 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 14 2.843 0.713 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.205 1.250 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.074 2.345 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.905 1.063 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.605 -1.006 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.234 -1.430 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.006 -1.664 -2.977 1.00 0.00 H new ATOM 212 N ILE A 15 4.445 -1.261 0.628 1.00 0.00 N ATOM 213 CA ILE A 15 5.809 -1.062 1.022 1.00 0.00 C ATOM 214 C ILE A 15 6.649 -1.132 -0.232 1.00 0.00 C ATOM 215 O ILE A 15 6.596 -2.125 -0.964 1.00 0.00 O ATOM 216 CB ILE A 15 6.518 -2.059 2.046 1.00 0.00 C ATOM 217 CG1 ILE A 15 5.974 -1.842 3.486 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.051 -1.900 2.065 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.473 -2.006 3.666 1.00 0.00 C ATOM 0 H ILE A 15 4.194 -2.210 0.349 1.00 0.00 H new ATOM 0 HA ILE A 15 5.752 -0.117 1.562 1.00 0.00 H new ATOM 0 HB ILE A 15 6.285 -3.067 1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.478 -2.542 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.251 -0.839 3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.481 -2.603 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.450 -2.103 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.308 -0.882 2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.210 -1.831 4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.950 -1.287 3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.181 -3.017 3.383 1.00 0.00 H new ATOM 231 N ASN A 16 7.379 -0.097 -0.494 1.00 0.00 N ATOM 232 CA ASN A 16 8.351 -0.111 -1.531 1.00 0.00 C ATOM 233 C ASN A 16 9.457 0.808 -1.175 1.00 0.00 C ATOM 234 O ASN A 16 9.493 1.974 -1.555 1.00 0.00 O ATOM 235 CB ASN A 16 7.788 0.136 -2.924 1.00 0.00 C ATOM 236 CG ASN A 16 8.864 0.030 -4.013 1.00 0.00 C ATOM 237 OD1 ASN A 16 9.922 -0.607 -3.824 1.00 0.00 O ATOM 238 ND2 ASN A 16 8.580 0.582 -5.163 1.00 0.00 N ATOM 0 H ASN A 16 7.315 0.787 0.011 1.00 0.00 H new ATOM 0 HA ASN A 16 8.744 -1.125 -1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.996 -0.585 -3.127 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.334 1.126 -2.960 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.232 0.500 -5.943 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.706 1.095 -5.281 1.00 0.00 H new ATOM 245 N GLY A 17 10.246 0.303 -0.281 1.00 0.00 N ATOM 246 CA GLY A 17 11.457 0.943 0.131 1.00 0.00 C ATOM 247 C GLY A 17 12.629 0.158 -0.375 1.00 0.00 C ATOM 248 O GLY A 17 13.765 0.329 0.078 1.00 0.00 O ATOM 0 H GLY A 17 10.064 -0.582 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.493 1.962 -0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.493 1.013 1.218 1.00 0.00 H new ATOM 252 N ASN A 18 12.340 -0.723 -1.318 1.00 0.00 N ATOM 253 CA ASN A 18 13.332 -1.533 -1.947 1.00 0.00 C ATOM 254 C ASN A 18 13.910 -0.696 -3.040 1.00 0.00 C ATOM 255 O ASN A 18 15.121 -0.677 -3.281 1.00 0.00 O ATOM 256 CB ASN A 18 12.734 -2.822 -2.489 1.00 0.00 C ATOM 257 CG ASN A 18 12.118 -3.754 -1.427 1.00 0.00 C ATOM 258 OD1 ASN A 18 11.564 -3.319 -0.408 1.00 0.00 O ATOM 259 ND2 ASN A 18 12.195 -5.034 -1.668 1.00 0.00 N ATOM 0 H ASN A 18 11.394 -0.887 -1.662 1.00 0.00 H new ATOM 0 HA ASN A 18 14.100 -1.841 -1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.964 -2.569 -3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 18 13.511 -3.369 -3.023 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.794 -5.702 -1.010 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.657 -5.367 -2.515 1.00 0.00 H new ATOM 266 N GLU A 19 13.021 0.022 -3.701 1.00 0.00 N ATOM 267 CA GLU A 19 13.398 1.080 -4.552 1.00 0.00 C ATOM 268 C GLU A 19 13.539 2.283 -3.646 1.00 0.00 C ATOM 269 O GLU A 19 12.702 2.490 -2.762 1.00 0.00 O ATOM 270 CB GLU A 19 12.331 1.362 -5.595 1.00 0.00 C ATOM 271 CG GLU A 19 12.100 0.260 -6.609 1.00 0.00 C ATOM 272 CD GLU A 19 11.137 0.691 -7.680 1.00 0.00 C ATOM 273 OE1 GLU A 19 9.934 0.590 -7.472 1.00 0.00 O ATOM 274 OE2 GLU A 19 11.579 1.189 -8.742 1.00 0.00 O ATOM 0 H GLU A 19 12.014 -0.132 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 19 14.314 0.839 -5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.390 1.562 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.602 2.272 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.049 -0.022 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.713 -0.625 -6.104 1.00 0.00 H new ATOM 281 N HIS A 20 14.556 3.067 -3.827 1.00 0.00 N ATOM 282 CA HIS A 20 14.783 4.172 -2.923 1.00 0.00 C ATOM 283 C HIS A 20 13.981 5.408 -3.241 1.00 0.00 C ATOM 284 O HIS A 20 14.500 6.405 -3.728 1.00 0.00 O ATOM 285 CB HIS A 20 16.244 4.463 -2.714 1.00 0.00 C ATOM 286 CG HIS A 20 16.922 3.460 -1.837 1.00 0.00 C ATOM 287 ND1 HIS A 20 17.646 2.392 -2.313 1.00 0.00 N ATOM 288 CD2 HIS A 20 16.974 3.367 -0.494 1.00 0.00 C ATOM 289 CE1 HIS A 20 18.105 1.694 -1.304 1.00 0.00 C ATOM 290 NE2 HIS A 20 17.714 2.263 -0.194 1.00 0.00 N ATOM 0 H HIS A 20 15.239 2.972 -4.579 1.00 0.00 H new ATOM 0 HA HIS A 20 14.395 3.829 -1.964 1.00 0.00 H new ATOM 0 HB2 HIS A 20 16.745 4.489 -3.682 1.00 0.00 H new ATOM 0 HB3 HIS A 20 16.352 5.454 -2.273 1.00 0.00 H new ATOM 0 HD2 HIS A 20 16.515 4.042 0.213 1.00 0.00 H new ATOM 0 HE1 HIS A 20 18.705 0.799 -1.377 1.00 0.00 H new ATOM 0 HE2 HIS A 20 17.929 1.933 0.747 1.00 0.00 H new ATOM 299 N ARG A 21 12.694 5.302 -3.019 1.00 0.00 N ATOM 300 CA ARG A 21 11.769 6.387 -3.203 1.00 0.00 C ATOM 301 C ARG A 21 10.760 6.336 -2.089 1.00 0.00 C ATOM 302 O ARG A 21 10.017 5.363 -1.946 1.00 0.00 O ATOM 303 CB ARG A 21 11.038 6.311 -4.539 1.00 0.00 C ATOM 304 CG ARG A 21 11.916 6.362 -5.763 1.00 0.00 C ATOM 305 CD ARG A 21 11.082 6.267 -7.016 1.00 0.00 C ATOM 306 NE ARG A 21 11.912 6.118 -8.206 1.00 0.00 N ATOM 307 CZ ARG A 21 12.114 4.951 -8.833 1.00 0.00 C ATOM 308 NH1 ARG A 21 11.643 3.824 -8.296 1.00 0.00 N ATOM 309 NH2 ARG A 21 12.794 4.914 -9.965 1.00 0.00 N ATOM 0 H ARG A 21 12.254 4.440 -2.699 1.00 0.00 H new ATOM 0 HA ARG A 21 12.333 7.320 -3.195 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.461 5.387 -4.565 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.325 7.134 -4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.488 7.290 -5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.636 5.544 -5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.403 5.418 -6.938 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.466 7.161 -7.112 1.00 0.00 H new ATOM 0 HE ARG A 21 12.365 6.950 -8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.133 3.854 -7.413 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.793 2.932 -8.768 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.167 5.775 -10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.946 4.024 -10.440 1.00 0.00 H new ATOM 323 N THR A 22 10.774 7.337 -1.306 1.00 0.00 N ATOM 324 CA THR A 22 9.906 7.499 -0.184 1.00 0.00 C ATOM 325 C THR A 22 9.449 8.947 -0.192 1.00 0.00 C ATOM 326 O THR A 22 9.563 9.628 -1.227 1.00 0.00 O ATOM 327 CB THR A 22 10.708 7.200 1.115 1.00 0.00 C ATOM 328 OG1 THR A 22 11.988 7.864 1.056 1.00 0.00 O ATOM 329 CG2 THR A 22 10.913 5.703 1.320 1.00 0.00 C ATOM 0 H THR A 22 11.422 8.116 -1.425 1.00 0.00 H new ATOM 0 HA THR A 22 9.051 6.825 -0.230 1.00 0.00 H new ATOM 0 HB THR A 22 10.131 7.576 1.960 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.230 8.188 1.949 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.477 5.535 2.237 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.944 5.210 1.395 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.465 5.292 0.475 1.00 0.00 H new ATOM 337 N SER A 23 9.005 9.446 0.931 1.00 0.00 N ATOM 338 CA SER A 23 8.626 10.846 1.067 1.00 0.00 C ATOM 339 C SER A 23 9.901 11.698 1.316 1.00 0.00 C ATOM 340 O SER A 23 9.851 12.740 1.975 1.00 0.00 O ATOM 341 CB SER A 23 7.665 10.971 2.251 1.00 0.00 C ATOM 342 OG SER A 23 6.590 10.039 2.130 1.00 0.00 O ATOM 0 H SER A 23 8.892 8.900 1.785 1.00 0.00 H new ATOM 0 HA SER A 23 8.138 11.203 0.160 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.203 10.794 3.182 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.269 11.986 2.299 1.00 0.00 H new ATOM 0 HG SER A 23 5.987 10.133 2.897 1.00 0.00 H new ATOM 348 N SER A 24 11.039 11.220 0.742 1.00 0.00 N ATOM 349 CA SER A 24 12.385 11.795 0.886 1.00 0.00 C ATOM 350 C SER A 24 12.918 11.520 2.299 1.00 0.00 C ATOM 351 O SER A 24 13.972 12.010 2.730 1.00 0.00 O ATOM 352 CB SER A 24 12.378 13.282 0.525 1.00 0.00 C ATOM 353 OG SER A 24 11.794 13.479 -0.776 1.00 0.00 O ATOM 0 H SER A 24 11.032 10.392 0.146 1.00 0.00 H new ATOM 0 HA SER A 24 13.069 11.315 0.185 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.815 13.842 1.272 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.396 13.670 0.536 1.00 0.00 H new ATOM 0 HG SER A 24 11.794 14.435 -0.993 1.00 0.00 H new ATOM 359 N THR A 25 12.193 10.663 2.948 1.00 0.00 N ATOM 360 CA THR A 25 12.395 10.241 4.295 1.00 0.00 C ATOM 361 C THR A 25 13.133 8.876 4.337 1.00 0.00 C ATOM 362 O THR A 25 13.393 8.273 3.274 1.00 0.00 O ATOM 363 CB THR A 25 11.000 10.113 4.935 1.00 0.00 C ATOM 364 OG1 THR A 25 10.128 9.419 4.015 1.00 0.00 O ATOM 365 CG2 THR A 25 10.419 11.485 5.256 1.00 0.00 C ATOM 0 H THR A 25 11.388 10.209 2.517 1.00 0.00 H new ATOM 0 HA THR A 25 13.011 10.959 4.836 1.00 0.00 H new ATOM 0 HB THR A 25 11.087 9.556 5.868 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.237 9.330 4.413 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.434 11.366 5.707 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.077 12.005 5.953 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.330 12.066 4.338 1.00 0.00 H new ATOM 373 N PRO A 26 13.525 8.387 5.532 1.00 0.00 N ATOM 374 CA PRO A 26 14.136 7.073 5.683 1.00 0.00 C ATOM 375 C PRO A 26 13.063 5.972 5.701 1.00 0.00 C ATOM 376 O PRO A 26 11.926 6.196 5.282 1.00 0.00 O ATOM 377 CB PRO A 26 14.854 7.160 7.046 1.00 0.00 C ATOM 378 CG PRO A 26 14.649 8.559 7.527 1.00 0.00 C ATOM 379 CD PRO A 26 13.438 9.068 6.824 1.00 0.00 C ATOM 0 HA PRO A 26 14.810 6.822 4.864 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.441 6.440 7.752 1.00 0.00 H new ATOM 0 HB3 PRO A 26 15.915 6.933 6.944 1.00 0.00 H new ATOM 0 HG2 PRO A 26 14.510 8.582 8.608 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.518 9.178 7.304 1.00 0.00 H new ATOM 0 HD2 PRO A 26 12.521 8.816 7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 26 13.455 10.152 6.715 1.00 0.00 H new ATOM 387 N GLN A 27 13.404 4.813 6.219 1.00 0.00 N ATOM 388 CA GLN A 27 12.523 3.670 6.203 1.00 0.00 C ATOM 389 C GLN A 27 11.538 3.630 7.337 1.00 0.00 C ATOM 390 O GLN A 27 10.973 2.577 7.636 1.00 0.00 O ATOM 391 CB GLN A 27 13.293 2.413 6.174 1.00 0.00 C ATOM 392 CG GLN A 27 14.114 2.181 4.936 1.00 0.00 C ATOM 393 CD GLN A 27 14.879 0.894 5.045 1.00 0.00 C ATOM 394 OE1 GLN A 27 14.394 -0.172 4.656 1.00 0.00 O ATOM 395 NE2 GLN A 27 16.051 0.964 5.600 1.00 0.00 N ATOM 0 H GLN A 27 14.305 4.638 6.665 1.00 0.00 H new ATOM 0 HA GLN A 27 11.939 3.777 5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 27 13.958 2.396 7.037 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.599 1.580 6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.464 2.151 4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.806 3.011 4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 27 16.416 1.865 5.908 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.606 0.118 5.728 1.00 0.00 H new ATOM 404 N GLN A 28 11.301 4.731 7.926 1.00 0.00 N ATOM 405 CA GLN A 28 10.334 4.819 8.981 1.00 0.00 C ATOM 406 C GLN A 28 9.121 5.563 8.488 1.00 0.00 C ATOM 407 O GLN A 28 9.105 6.789 8.480 1.00 0.00 O ATOM 408 CB GLN A 28 10.844 5.466 10.276 1.00 0.00 C ATOM 409 CG GLN A 28 11.965 4.727 11.000 1.00 0.00 C ATOM 410 CD GLN A 28 13.299 4.811 10.300 1.00 0.00 C ATOM 411 OE1 GLN A 28 13.610 5.805 9.640 1.00 0.00 O ATOM 412 NE2 GLN A 28 14.081 3.779 10.416 1.00 0.00 N ATOM 0 H GLN A 28 11.765 5.611 7.702 1.00 0.00 H new ATOM 0 HA GLN A 28 10.092 3.790 9.245 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.191 6.472 10.043 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.003 5.570 10.962 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.066 5.135 12.006 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.687 3.679 11.108 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.787 2.976 10.972 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.989 3.772 9.951 1.00 0.00 H new ATOM 421 N PRO A 29 8.108 4.854 8.037 1.00 0.00 N ATOM 422 CA PRO A 29 6.922 5.457 7.525 1.00 0.00 C ATOM 423 C PRO A 29 5.899 5.682 8.629 1.00 0.00 C ATOM 424 O PRO A 29 5.638 4.783 9.447 1.00 0.00 O ATOM 425 CB PRO A 29 6.413 4.425 6.514 1.00 0.00 C ATOM 426 CG PRO A 29 7.012 3.110 6.930 1.00 0.00 C ATOM 427 CD PRO A 29 8.018 3.394 8.020 1.00 0.00 C ATOM 0 HA PRO A 29 7.101 6.439 7.086 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.324 4.377 6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.716 4.689 5.501 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.238 2.433 7.290 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.493 2.622 6.082 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.688 3.002 8.982 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.983 2.936 7.804 1.00 0.00 H new ATOM 435 N GLN A 30 5.357 6.879 8.692 1.00 0.00 N ATOM 436 CA GLN A 30 4.304 7.180 9.630 1.00 0.00 C ATOM 437 C GLN A 30 3.100 6.372 9.230 1.00 0.00 C ATOM 438 O GLN A 30 2.481 5.689 10.043 1.00 0.00 O ATOM 439 CB GLN A 30 4.007 8.672 9.680 1.00 0.00 C ATOM 440 CG GLN A 30 5.073 9.539 10.388 1.00 0.00 C ATOM 441 CD GLN A 30 6.452 9.510 9.737 1.00 0.00 C ATOM 442 OE1 GLN A 30 6.748 10.303 8.859 1.00 0.00 O ATOM 443 NE2 GLN A 30 7.302 8.616 10.182 1.00 0.00 N ATOM 0 H GLN A 30 5.632 7.662 8.100 1.00 0.00 H new ATOM 0 HA GLN A 30 4.608 6.912 10.642 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.888 9.035 8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.052 8.818 10.184 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.722 10.570 10.418 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.167 9.204 11.421 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.022 7.968 10.918 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.244 8.569 9.792 1.00 0.00 H new ATOM 452 N GLN A 31 2.819 6.429 7.960 1.00 0.00 N ATOM 453 CA GLN A 31 1.908 5.591 7.303 1.00 0.00 C ATOM 454 C GLN A 31 2.600 5.203 6.040 1.00 0.00 C ATOM 455 O GLN A 31 3.532 5.900 5.623 1.00 0.00 O ATOM 456 CB GLN A 31 0.688 6.322 6.901 1.00 0.00 C ATOM 457 CG GLN A 31 -0.043 7.075 7.986 1.00 0.00 C ATOM 458 CD GLN A 31 -1.339 7.663 7.483 1.00 0.00 C ATOM 459 OE1 GLN A 31 -1.483 7.976 6.297 1.00 0.00 O ATOM 460 NE2 GLN A 31 -2.275 7.843 8.367 1.00 0.00 N ATOM 0 H GLN A 31 3.255 7.108 7.336 1.00 0.00 H new ATOM 0 HA GLN A 31 1.621 4.762 7.950 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.959 7.031 6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.005 5.608 6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.248 6.404 8.820 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.594 7.873 8.368 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.119 7.572 9.338 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.166 8.256 8.090 1.00 0.00 H new ATOM 469 N ASN A 32 2.223 4.141 5.445 1.00 0.00 N ATOM 470 CA ASN A 32 2.746 3.820 4.173 1.00 0.00 C ATOM 471 C ASN A 32 1.807 4.385 3.143 1.00 0.00 C ATOM 472 O ASN A 32 0.662 4.756 3.489 1.00 0.00 O ATOM 473 CB ASN A 32 2.876 2.306 3.973 1.00 0.00 C ATOM 474 CG ASN A 32 3.946 1.655 4.820 1.00 0.00 C ATOM 475 OD1 ASN A 32 5.115 1.585 4.425 1.00 0.00 O ATOM 476 ND2 ASN A 32 3.560 1.146 5.962 1.00 0.00 N ATOM 0 H ASN A 32 1.549 3.472 5.819 1.00 0.00 H new ATOM 0 HA ASN A 32 3.746 4.243 4.079 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.917 1.838 4.197 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.090 2.107 2.923 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.234 0.670 6.562 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.585 1.225 6.252 1.00 0.00 H new ATOM 483 N PRO A 33 2.271 4.563 1.897 1.00 0.00 N ATOM 484 CA PRO A 33 1.400 4.911 0.788 1.00 0.00 C ATOM 485 C PRO A 33 0.227 3.935 0.763 1.00 0.00 C ATOM 486 O PRO A 33 0.425 2.709 0.797 1.00 0.00 O ATOM 487 CB PRO A 33 2.303 4.720 -0.454 1.00 0.00 C ATOM 488 CG PRO A 33 3.563 4.097 0.055 1.00 0.00 C ATOM 489 CD PRO A 33 3.671 4.502 1.482 1.00 0.00 C ATOM 0 HA PRO A 33 0.984 5.917 0.844 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.821 4.081 -1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.507 5.674 -0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.529 3.012 -0.041 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.426 4.440 -0.515 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.237 3.778 2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.171 5.464 1.595 1.00 0.00 H new ATOM 497 N SER A 34 -0.960 4.454 0.721 1.00 0.00 N ATOM 498 CA SER A 34 -2.119 3.642 0.835 1.00 0.00 C ATOM 499 C SER A 34 -3.142 4.050 -0.183 1.00 0.00 C ATOM 500 O SER A 34 -3.160 5.199 -0.640 1.00 0.00 O ATOM 501 CB SER A 34 -2.673 3.697 2.277 1.00 0.00 C ATOM 502 OG SER A 34 -2.774 5.037 2.734 1.00 0.00 O ATOM 0 H SER A 34 -1.147 5.450 0.607 1.00 0.00 H new ATOM 0 HA SER A 34 -1.855 2.605 0.630 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.654 3.223 2.312 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.021 3.131 2.942 1.00 0.00 H new ATOM 0 HG SER A 34 -3.128 5.045 3.648 1.00 0.00 H new ATOM 508 N VAL A 35 -3.960 3.122 -0.557 1.00 0.00 N ATOM 509 CA VAL A 35 -4.988 3.347 -1.516 1.00 0.00 C ATOM 510 C VAL A 35 -6.154 2.498 -1.169 1.00 0.00 C ATOM 511 O VAL A 35 -5.980 1.418 -0.637 1.00 0.00 O ATOM 512 CB VAL A 35 -4.506 3.039 -2.980 1.00 0.00 C ATOM 513 CG1 VAL A 35 -3.981 1.628 -3.124 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.611 3.248 -3.991 1.00 0.00 C ATOM 0 H VAL A 35 -3.931 2.168 -0.197 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.264 4.401 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.696 3.742 -3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.660 1.462 -4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.135 1.484 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.769 0.919 -2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.237 3.025 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.446 2.586 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.948 4.284 -3.953 1.00 0.00 H new ATOM 524 N SER A 36 -7.314 2.980 -1.419 1.00 0.00 N ATOM 525 CA SER A 36 -8.458 2.216 -1.238 1.00 0.00 C ATOM 526 C SER A 36 -8.804 1.674 -2.615 1.00 0.00 C ATOM 527 O SER A 36 -9.287 2.396 -3.480 1.00 0.00 O ATOM 528 CB SER A 36 -9.519 3.048 -0.663 1.00 0.00 C ATOM 529 OG SER A 36 -9.029 3.784 0.454 1.00 0.00 O ATOM 0 H SER A 36 -7.482 3.927 -1.758 1.00 0.00 H new ATOM 0 HA SER A 36 -8.320 1.390 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.900 3.735 -1.419 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.354 2.419 -0.353 1.00 0.00 H new ATOM 0 HG SER A 36 -9.750 4.335 0.824 1.00 0.00 H new ATOM 535 N HIS A 37 -8.531 0.429 -2.800 1.00 0.00 N ATOM 536 CA HIS A 37 -8.574 -0.199 -4.059 1.00 0.00 C ATOM 537 C HIS A 37 -9.730 -1.192 -4.111 1.00 0.00 C ATOM 538 O HIS A 37 -10.040 -1.834 -3.130 1.00 0.00 O ATOM 539 CB HIS A 37 -7.209 -0.879 -4.272 1.00 0.00 C ATOM 540 CG HIS A 37 -7.077 -1.657 -5.523 1.00 0.00 C ATOM 541 ND1 HIS A 37 -6.492 -1.183 -6.662 1.00 0.00 N ATOM 542 CD2 HIS A 37 -7.471 -2.891 -5.794 1.00 0.00 C ATOM 543 CE1 HIS A 37 -6.546 -2.105 -7.586 1.00 0.00 C ATOM 544 NE2 HIS A 37 -7.141 -3.160 -7.087 1.00 0.00 N ATOM 0 H HIS A 37 -8.262 -0.198 -2.042 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.750 0.519 -4.860 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.434 -0.113 -4.257 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -7.017 -1.543 -3.429 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -7.966 -3.565 -5.111 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -6.164 -2.013 -8.592 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.325 -4.033 -7.582 1.00 0.00 H new ATOM 553 N ILE A 38 -10.324 -1.295 -5.259 1.00 0.00 N ATOM 554 CA ILE A 38 -11.495 -2.152 -5.545 1.00 0.00 C ATOM 555 C ILE A 38 -10.914 -3.586 -5.765 1.00 0.00 C ATOM 556 O ILE A 38 -10.140 -3.834 -6.710 1.00 0.00 O ATOM 557 CB ILE A 38 -12.061 -1.681 -6.829 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.510 -0.203 -6.740 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.253 -2.582 -7.109 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.632 0.066 -5.742 1.00 0.00 C ATOM 0 H ILE A 38 -10.013 -0.771 -6.077 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.249 -2.133 -4.758 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.318 -1.729 -7.625 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.649 0.408 -6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.835 0.123 -7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.720 -2.287 -8.049 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.918 -3.617 -7.180 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.977 -2.490 -6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.879 1.128 -5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.513 -0.513 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.307 -0.224 -4.743 1.00 0.00 H new ATOM 572 N PHE A 39 -11.224 -4.455 -4.890 1.00 0.00 N ATOM 573 CA PHE A 39 -10.855 -5.807 -5.008 1.00 0.00 C ATOM 574 C PHE A 39 -12.086 -6.628 -5.220 1.00 0.00 C ATOM 575 O PHE A 39 -13.143 -6.328 -4.666 1.00 0.00 O ATOM 576 CB PHE A 39 -10.125 -6.288 -3.791 1.00 0.00 C ATOM 577 CG PHE A 39 -8.753 -5.742 -3.595 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.660 -6.392 -4.126 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.552 -4.617 -2.844 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.388 -5.915 -3.916 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.289 -4.139 -2.618 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.201 -4.789 -3.157 1.00 0.00 C ATOM 0 H PHE A 39 -11.757 -4.241 -4.047 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.180 -5.910 -5.858 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.722 -6.042 -2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.059 -7.375 -3.837 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.804 -7.286 -4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.401 -4.099 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.539 -6.425 -4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.146 -3.253 -2.017 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.204 -4.413 -2.982 1.00 0.00 H new ATOM 592 N ASP A 40 -11.944 -7.632 -6.017 1.00 0.00 N ATOM 593 CA ASP A 40 -12.991 -8.520 -6.384 1.00 0.00 C ATOM 594 C ASP A 40 -12.389 -9.853 -6.707 1.00 0.00 C ATOM 595 O ASP A 40 -11.165 -9.959 -6.935 1.00 0.00 O ATOM 596 CB ASP A 40 -13.754 -8.000 -7.610 1.00 0.00 C ATOM 597 CG ASP A 40 -12.883 -7.789 -8.823 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.307 -6.700 -8.989 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.753 -8.719 -9.627 1.00 0.00 O ATOM 0 H ASP A 40 -11.051 -7.866 -6.451 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.694 -8.601 -5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.545 -8.706 -7.861 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.238 -7.058 -7.353 1.00 0.00 H new ATOM 604 N GLY A 41 -13.224 -10.836 -6.753 1.00 0.00 N ATOM 605 CA GLY A 41 -12.787 -12.201 -6.969 1.00 0.00 C ATOM 606 C GLY A 41 -12.897 -12.625 -8.399 1.00 0.00 C ATOM 607 O GLY A 41 -12.794 -13.815 -8.715 1.00 0.00 O ATOM 0 H GLY A 41 -14.233 -10.730 -6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.752 -12.302 -6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.383 -12.871 -6.349 1.00 0.00 H new ATOM 611 N GLU A 42 -13.066 -11.660 -9.265 1.00 0.00 N ATOM 612 CA GLU A 42 -13.244 -11.906 -10.639 1.00 0.00 C ATOM 613 C GLU A 42 -11.979 -11.551 -11.401 1.00 0.00 C ATOM 614 O GLU A 42 -11.664 -12.123 -12.445 1.00 0.00 O ATOM 615 CB GLU A 42 -14.435 -11.137 -11.097 1.00 0.00 C ATOM 616 CG GLU A 42 -15.739 -11.455 -10.416 1.00 0.00 C ATOM 617 CD GLU A 42 -16.256 -12.824 -10.717 1.00 0.00 C ATOM 618 OE1 GLU A 42 -16.396 -13.179 -11.902 1.00 0.00 O ATOM 619 OE2 GLU A 42 -16.630 -13.539 -9.786 1.00 0.00 O ATOM 0 H GLU A 42 -13.081 -10.672 -9.013 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.427 -12.963 -10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.229 -10.075 -10.962 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.559 -11.304 -12.167 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.610 -11.354 -9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.485 -10.720 -10.718 1.00 0.00 H new ATOM 626 N THR A 43 -11.258 -10.624 -10.861 1.00 0.00 N ATOM 627 CA THR A 43 -10.029 -10.212 -11.362 1.00 0.00 C ATOM 628 C THR A 43 -8.908 -10.971 -10.645 1.00 0.00 C ATOM 629 O THR A 43 -8.944 -11.096 -9.399 1.00 0.00 O ATOM 630 CB THR A 43 -9.892 -8.747 -11.064 1.00 0.00 C ATOM 631 OG1 THR A 43 -11.021 -8.023 -11.574 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.606 -8.186 -11.587 1.00 0.00 C ATOM 0 H THR A 43 -11.541 -10.122 -10.019 1.00 0.00 H new ATOM 0 HA THR A 43 -9.965 -10.404 -12.433 1.00 0.00 H new ATOM 0 HB THR A 43 -9.869 -8.631 -9.980 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.817 -8.243 -11.046 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.549 -7.124 -11.349 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.767 -8.707 -11.125 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.564 -8.318 -12.668 1.00 0.00 H new ATOM 640 N ALA A 44 -7.959 -11.510 -11.405 1.00 0.00 N ATOM 641 CA ALA A 44 -6.786 -12.144 -10.848 1.00 0.00 C ATOM 642 C ALA A 44 -6.057 -11.189 -9.938 1.00 0.00 C ATOM 643 O ALA A 44 -6.076 -9.958 -10.140 1.00 0.00 O ATOM 644 CB ALA A 44 -5.839 -12.601 -11.938 1.00 0.00 C ATOM 0 H ALA A 44 -7.989 -11.515 -12.425 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.121 -13.013 -10.282 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.966 -13.074 -11.487 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.347 -13.317 -12.584 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.521 -11.741 -12.528 1.00 0.00 H new ATOM 650 N VAL A 45 -5.419 -11.750 -8.954 1.00 0.00 N ATOM 651 CA VAL A 45 -4.661 -11.005 -7.966 1.00 0.00 C ATOM 652 C VAL A 45 -3.641 -10.127 -8.647 1.00 0.00 C ATOM 653 O VAL A 45 -3.609 -8.927 -8.426 1.00 0.00 O ATOM 654 CB VAL A 45 -3.858 -11.931 -7.052 1.00 0.00 C ATOM 655 CG1 VAL A 45 -3.040 -11.101 -6.093 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.813 -12.808 -6.292 1.00 0.00 C ATOM 0 H VAL A 45 -5.404 -12.759 -8.804 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.389 -10.430 -7.393 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.185 -12.553 -7.643 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.466 -11.759 -5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.358 -10.463 -6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.704 -10.481 -5.491 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.252 -13.474 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.480 -12.187 -5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.400 -13.400 -6.994 1.00 0.00 H new ATOM 666 N LYS A 46 -2.841 -10.755 -9.498 1.00 0.00 N ATOM 667 CA LYS A 46 -1.720 -10.093 -10.209 1.00 0.00 C ATOM 668 C LYS A 46 -2.205 -8.859 -10.968 1.00 0.00 C ATOM 669 O LYS A 46 -1.496 -7.902 -11.120 1.00 0.00 O ATOM 670 CB LYS A 46 -1.028 -11.063 -11.186 1.00 0.00 C ATOM 671 CG LYS A 46 -1.900 -11.433 -12.380 1.00 0.00 C ATOM 672 CD LYS A 46 -1.277 -12.470 -13.281 1.00 0.00 C ATOM 673 CE LYS A 46 -2.116 -12.667 -14.549 1.00 0.00 C ATOM 674 NZ LYS A 46 -3.555 -12.866 -14.273 1.00 0.00 N ATOM 0 H LYS A 46 -2.940 -11.744 -9.726 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.997 -9.783 -9.454 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.104 -10.610 -11.545 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.750 -11.971 -10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.858 -11.806 -12.018 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.106 -10.535 -12.962 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.267 -12.163 -13.552 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.190 -13.416 -12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.994 -11.798 -15.196 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.736 -13.529 -15.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.035 -13.176 -15.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.670 -13.591 -13.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.973 -11.971 -13.947 1.00 0.00 H new ATOM 688 N ASP A 47 -3.430 -8.900 -11.411 1.00 0.00 N ATOM 689 CA ASP A 47 -4.002 -7.828 -12.168 1.00 0.00 C ATOM 690 C ASP A 47 -4.400 -6.707 -11.258 1.00 0.00 C ATOM 691 O ASP A 47 -4.278 -5.540 -11.615 1.00 0.00 O ATOM 692 CB ASP A 47 -5.155 -8.305 -13.005 1.00 0.00 C ATOM 693 CG ASP A 47 -4.746 -9.191 -14.150 1.00 0.00 C ATOM 694 OD1 ASP A 47 -4.479 -10.391 -13.928 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.660 -8.694 -15.291 1.00 0.00 O ATOM 0 H ASP A 47 -4.062 -9.685 -11.255 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.248 -7.450 -12.858 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.854 -8.848 -12.369 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.689 -7.440 -13.399 1.00 0.00 H new ATOM 700 N HIS A 48 -4.875 -7.059 -10.084 1.00 0.00 N ATOM 701 CA HIS A 48 -5.144 -6.087 -9.040 1.00 0.00 C ATOM 702 C HIS A 48 -3.805 -5.454 -8.642 1.00 0.00 C ATOM 703 O HIS A 48 -3.715 -4.250 -8.425 1.00 0.00 O ATOM 704 CB HIS A 48 -5.796 -6.728 -7.795 1.00 0.00 C ATOM 705 CG HIS A 48 -7.187 -7.281 -7.929 1.00 0.00 C ATOM 706 ND1 HIS A 48 -8.315 -6.503 -8.079 1.00 0.00 N ATOM 707 CD2 HIS A 48 -7.634 -8.557 -7.855 1.00 0.00 C ATOM 708 CE1 HIS A 48 -9.376 -7.263 -8.080 1.00 0.00 C ATOM 709 NE2 HIS A 48 -8.995 -8.514 -7.945 1.00 0.00 N ATOM 0 H HIS A 48 -5.086 -8.022 -9.824 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.846 -5.346 -9.422 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.147 -7.536 -7.458 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.810 -5.979 -7.003 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.027 -9.443 -7.745 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.396 -6.921 -8.176 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.616 -9.322 -7.913 1.00 0.00 H new ATOM 718 N ILE A 49 -2.791 -6.289 -8.586 1.00 0.00 N ATOM 719 CA ILE A 49 -1.450 -5.893 -8.255 1.00 0.00 C ATOM 720 C ILE A 49 -0.841 -4.996 -9.323 1.00 0.00 C ATOM 721 O ILE A 49 -0.257 -3.981 -8.978 1.00 0.00 O ATOM 722 CB ILE A 49 -0.576 -7.107 -7.904 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.117 -7.736 -6.626 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.893 -6.703 -7.734 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.268 -8.839 -6.095 1.00 0.00 C ATOM 0 H ILE A 49 -2.884 -7.287 -8.775 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.496 -5.283 -7.353 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.615 -7.831 -8.718 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.212 -6.963 -5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.119 -8.120 -6.817 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.486 -7.583 -7.486 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.261 -6.268 -8.663 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.978 -5.970 -6.932 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.716 -9.237 -5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.193 -9.631 -6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.728 -8.456 -5.871 1.00 0.00 H new ATOM 737 N LYS A 50 -1.004 -5.331 -10.617 1.00 0.00 N ATOM 738 CA LYS A 50 -0.521 -4.445 -11.681 1.00 0.00 C ATOM 739 C LYS A 50 -1.137 -3.045 -11.547 1.00 0.00 C ATOM 740 O LYS A 50 -0.474 -2.036 -11.809 1.00 0.00 O ATOM 741 CB LYS A 50 -0.781 -5.014 -13.093 1.00 0.00 C ATOM 742 CG LYS A 50 -0.054 -6.296 -13.434 1.00 0.00 C ATOM 743 CD LYS A 50 -0.239 -6.635 -14.903 1.00 0.00 C ATOM 744 CE LYS A 50 0.450 -7.938 -15.283 1.00 0.00 C ATOM 745 NZ LYS A 50 0.292 -8.245 -16.729 1.00 0.00 N ATOM 0 H LYS A 50 -1.455 -6.187 -10.941 1.00 0.00 H new ATOM 0 HA LYS A 50 0.560 -4.372 -11.559 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.852 -5.186 -13.202 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.504 -4.256 -13.826 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.007 -6.190 -13.209 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.431 -7.111 -12.816 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.303 -6.710 -15.126 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.158 -5.824 -15.514 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.510 -7.873 -15.039 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.036 -8.754 -14.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.775 -9.140 -16.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.719 -8.332 -16.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.710 -7.478 -17.294 1.00 0.00 H new ATOM 759 N VAL A 51 -2.383 -2.993 -11.091 1.00 0.00 N ATOM 760 CA VAL A 51 -3.062 -1.733 -10.860 1.00 0.00 C ATOM 761 C VAL A 51 -2.454 -1.008 -9.681 1.00 0.00 C ATOM 762 O VAL A 51 -2.077 0.161 -9.806 1.00 0.00 O ATOM 763 CB VAL A 51 -4.560 -1.880 -10.615 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.181 -0.538 -10.323 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.251 -2.552 -11.752 1.00 0.00 C ATOM 0 H VAL A 51 -2.943 -3.817 -10.874 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.931 -1.162 -11.779 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.688 -2.521 -9.743 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.250 -0.662 -10.151 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.718 -0.108 -9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.025 0.128 -11.172 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.316 -2.635 -11.533 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.112 -1.966 -12.660 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.832 -3.548 -11.895 1.00 0.00 H new ATOM 775 N LEU A 52 -2.382 -1.675 -8.551 1.00 0.00 N ATOM 776 CA LEU A 52 -1.799 -1.109 -7.351 1.00 0.00 C ATOM 777 C LEU A 52 -0.417 -0.592 -7.613 1.00 0.00 C ATOM 778 O LEU A 52 -0.135 0.553 -7.295 1.00 0.00 O ATOM 779 CB LEU A 52 -1.771 -2.164 -6.283 1.00 0.00 C ATOM 780 CG LEU A 52 -3.131 -2.572 -5.802 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.071 -3.940 -5.225 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.637 -1.587 -4.787 1.00 0.00 C ATOM 0 H LEU A 52 -2.727 -2.628 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.406 -0.266 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.252 -3.043 -6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.191 -1.796 -5.436 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.823 -2.580 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.062 -4.232 -4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.733 -4.642 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.374 -3.951 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.625 -1.893 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.953 -1.555 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.700 -0.598 -5.240 1.00 0.00 H new ATOM 794 N LEU A 53 0.426 -1.413 -8.242 1.00 0.00 N ATOM 795 CA LEU A 53 1.769 -1.019 -8.575 1.00 0.00 C ATOM 796 C LEU A 53 1.744 0.251 -9.374 1.00 0.00 C ATOM 797 O LEU A 53 2.391 1.202 -9.023 1.00 0.00 O ATOM 798 CB LEU A 53 2.475 -2.128 -9.342 1.00 0.00 C ATOM 799 CG LEU A 53 2.673 -3.419 -8.588 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.383 -4.400 -9.461 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.444 -3.183 -7.310 1.00 0.00 C ATOM 0 H LEU A 53 0.185 -2.362 -8.528 1.00 0.00 H new ATOM 0 HA LEU A 53 2.325 -0.840 -7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.904 -2.340 -10.246 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.451 -1.761 -9.660 1.00 0.00 H new ATOM 0 HG LEU A 53 1.698 -3.824 -8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.527 -5.334 -8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.788 -4.589 -10.355 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.353 -3.995 -9.749 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.574 -4.129 -6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.421 -2.762 -7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.894 -2.488 -6.676 1.00 0.00 H new ATOM 813 N THR A 54 0.938 0.270 -10.398 1.00 0.00 N ATOM 814 CA THR A 54 0.768 1.395 -11.208 1.00 0.00 C ATOM 815 C THR A 54 0.294 2.650 -10.469 1.00 0.00 C ATOM 816 O THR A 54 0.807 3.746 -10.699 1.00 0.00 O ATOM 817 CB THR A 54 -0.096 1.018 -12.412 1.00 0.00 C ATOM 818 OG1 THR A 54 0.608 0.104 -13.254 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.592 2.182 -13.184 1.00 0.00 C ATOM 0 H THR A 54 0.374 -0.531 -10.682 1.00 0.00 H new ATOM 0 HA THR A 54 1.751 1.699 -11.567 1.00 0.00 H new ATOM 0 HB THR A 54 -0.988 0.535 -12.014 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.379 -0.815 -13.003 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.196 1.833 -14.021 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.199 2.815 -12.537 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.254 2.755 -13.562 1.00 0.00 H new ATOM 827 N HIS A 55 -0.603 2.479 -9.542 1.00 0.00 N ATOM 828 CA HIS A 55 -1.095 3.570 -8.730 1.00 0.00 C ATOM 829 C HIS A 55 -0.038 4.053 -7.727 1.00 0.00 C ATOM 830 O HIS A 55 -0.029 5.207 -7.325 1.00 0.00 O ATOM 831 CB HIS A 55 -2.428 3.153 -8.083 1.00 0.00 C ATOM 832 CG HIS A 55 -3.047 4.180 -7.170 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.005 5.084 -7.572 1.00 0.00 N ATOM 834 CD2 HIS A 55 -2.837 4.424 -5.858 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.352 5.838 -6.551 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.656 5.459 -5.501 1.00 0.00 N ATOM 0 H HIS A 55 -1.021 1.575 -9.321 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.294 4.439 -9.357 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.140 2.918 -8.874 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.267 2.236 -7.516 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.150 3.899 -5.211 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.083 6.632 -6.572 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.717 5.871 -4.570 1.00 0.00 H new ATOM 845 N PHE A 56 0.837 3.166 -7.336 1.00 0.00 N ATOM 846 CA PHE A 56 1.958 3.508 -6.487 1.00 0.00 C ATOM 847 C PHE A 56 3.184 3.917 -7.309 1.00 0.00 C ATOM 848 O PHE A 56 4.257 4.217 -6.761 1.00 0.00 O ATOM 849 CB PHE A 56 2.280 2.359 -5.579 1.00 0.00 C ATOM 850 CG PHE A 56 1.225 2.125 -4.558 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.894 3.125 -3.670 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.588 0.912 -4.470 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.060 2.919 -2.701 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.375 0.690 -3.509 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.696 1.697 -2.620 1.00 0.00 C ATOM 0 H PHE A 56 0.797 2.180 -7.596 1.00 0.00 H new ATOM 0 HA PHE A 56 1.676 4.369 -5.881 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.411 1.456 -6.175 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.229 2.551 -5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.390 4.082 -3.736 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.844 0.123 -5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.310 3.709 -2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.875 -0.265 -3.452 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.445 1.528 -1.861 1.00 0.00 H new ATOM 865 N LYS A 57 2.991 3.926 -8.613 1.00 0.00 N ATOM 866 CA LYS A 57 3.999 4.309 -9.623 1.00 0.00 C ATOM 867 C LYS A 57 5.161 3.310 -9.704 1.00 0.00 C ATOM 868 O LYS A 57 6.299 3.668 -9.992 1.00 0.00 O ATOM 869 CB LYS A 57 4.493 5.749 -9.416 1.00 0.00 C ATOM 870 CG LYS A 57 3.428 6.814 -9.672 1.00 0.00 C ATOM 871 CD LYS A 57 3.978 8.232 -9.526 1.00 0.00 C ATOM 872 CE LYS A 57 5.101 8.525 -10.527 1.00 0.00 C ATOM 873 NZ LYS A 57 4.674 8.353 -11.937 1.00 0.00 N ATOM 0 H LYS A 57 2.099 3.659 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 57 3.498 4.275 -10.590 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.858 5.854 -8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.340 5.930 -10.078 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.023 6.686 -10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.602 6.674 -8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.170 8.949 -9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.352 8.372 -8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.454 9.546 -10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.944 7.864 -10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.425 8.692 -12.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.491 7.346 -12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.805 8.900 -12.106 1.00 0.00 H new ATOM 887 N ILE A 58 4.837 2.068 -9.519 1.00 0.00 N ATOM 888 CA ILE A 58 5.742 0.990 -9.597 1.00 0.00 C ATOM 889 C ILE A 58 5.463 0.245 -10.903 1.00 0.00 C ATOM 890 O ILE A 58 4.291 0.058 -11.252 1.00 0.00 O ATOM 891 CB ILE A 58 5.479 0.044 -8.431 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.591 0.826 -7.143 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.465 -1.121 -8.443 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.199 0.042 -5.969 1.00 0.00 C ATOM 0 H ILE A 58 3.885 1.776 -9.299 1.00 0.00 H new ATOM 0 HA ILE A 58 6.772 1.344 -9.562 1.00 0.00 H new ATOM 0 HB ILE A 58 4.477 -0.377 -8.520 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.618 1.169 -7.019 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.964 1.715 -7.207 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.257 -1.782 -7.602 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.361 -1.676 -9.375 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.482 -0.738 -8.361 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.299 0.654 -5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.163 -0.279 -6.075 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.843 -0.833 -5.885 1.00 0.00 H new ATOM 906 N PRO A 59 6.489 -0.141 -11.674 1.00 0.00 N ATOM 907 CA PRO A 59 6.303 -0.945 -12.885 1.00 0.00 C ATOM 908 C PRO A 59 5.628 -2.258 -12.569 1.00 0.00 C ATOM 909 O PRO A 59 5.988 -2.957 -11.605 1.00 0.00 O ATOM 910 CB PRO A 59 7.740 -1.200 -13.368 1.00 0.00 C ATOM 911 CG PRO A 59 8.579 -0.945 -12.178 1.00 0.00 C ATOM 912 CD PRO A 59 7.904 0.170 -11.453 1.00 0.00 C ATOM 0 HA PRO A 59 5.674 -0.447 -13.623 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.862 -2.221 -13.729 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.006 -0.537 -14.191 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.653 -1.834 -11.551 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.594 -0.671 -12.464 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.159 0.182 -10.393 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.176 1.145 -11.858 1.00 0.00 H new ATOM 920 N VAL A 60 4.676 -2.605 -13.392 1.00 0.00 N ATOM 921 CA VAL A 60 3.910 -3.818 -13.258 1.00 0.00 C ATOM 922 C VAL A 60 4.757 -5.053 -13.424 1.00 0.00 C ATOM 923 O VAL A 60 4.330 -6.130 -13.133 1.00 0.00 O ATOM 924 CB VAL A 60 2.781 -3.863 -14.314 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.810 -2.733 -14.103 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.327 -3.835 -15.718 1.00 0.00 C ATOM 0 H VAL A 60 4.403 -2.039 -14.195 1.00 0.00 H new ATOM 0 HA VAL A 60 3.496 -3.810 -12.250 1.00 0.00 H new ATOM 0 HB VAL A 60 2.252 -4.807 -14.185 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.024 -2.783 -14.856 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.367 -2.814 -13.110 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.335 -1.782 -14.189 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.502 -3.868 -16.430 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.899 -2.919 -15.868 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.975 -4.697 -15.874 1.00 0.00 H new ATOM 936 N ASP A 61 5.979 -4.867 -13.873 1.00 0.00 N ATOM 937 CA ASP A 61 6.910 -5.968 -14.108 1.00 0.00 C ATOM 938 C ASP A 61 7.336 -6.579 -12.759 1.00 0.00 C ATOM 939 O ASP A 61 7.834 -7.699 -12.685 1.00 0.00 O ATOM 940 CB ASP A 61 8.112 -5.461 -14.923 1.00 0.00 C ATOM 941 CG ASP A 61 9.107 -6.533 -15.324 1.00 0.00 C ATOM 942 OD1 ASP A 61 8.942 -7.147 -16.414 1.00 0.00 O ATOM 943 OD2 ASP A 61 10.093 -6.752 -14.594 1.00 0.00 O ATOM 0 H ASP A 61 6.364 -3.947 -14.089 1.00 0.00 H new ATOM 0 HA ASP A 61 6.428 -6.755 -14.688 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.742 -4.973 -15.825 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.633 -4.701 -14.341 1.00 0.00 H new ATOM 948 N LYS A 62 7.081 -5.835 -11.690 1.00 0.00 N ATOM 949 CA LYS A 62 7.382 -6.257 -10.360 1.00 0.00 C ATOM 950 C LYS A 62 6.259 -7.085 -9.727 1.00 0.00 C ATOM 951 O LYS A 62 6.429 -7.615 -8.646 1.00 0.00 O ATOM 952 CB LYS A 62 7.680 -5.072 -9.516 1.00 0.00 C ATOM 953 CG LYS A 62 8.927 -4.356 -9.947 1.00 0.00 C ATOM 954 CD LYS A 62 9.313 -3.392 -8.903 1.00 0.00 C ATOM 955 CE LYS A 62 10.549 -2.583 -9.276 1.00 0.00 C ATOM 956 NZ LYS A 62 11.741 -3.435 -9.502 1.00 0.00 N ATOM 0 H LYS A 62 6.653 -4.911 -11.741 1.00 0.00 H new ATOM 0 HA LYS A 62 8.255 -6.907 -10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.837 -4.382 -9.555 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.787 -5.387 -8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.732 -5.071 -10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.757 -3.840 -10.892 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.482 -2.712 -8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.502 -3.927 -7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.343 -2.006 -10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.764 -1.867 -8.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.581 -2.833 -9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.877 -4.065 -8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.602 -4.006 -10.360 1.00 0.00 H new ATOM 970 N VAL A 63 5.109 -7.168 -10.421 1.00 0.00 N ATOM 971 CA VAL A 63 3.857 -7.942 -10.038 1.00 0.00 C ATOM 972 C VAL A 63 4.206 -9.364 -9.571 1.00 0.00 C ATOM 973 O VAL A 63 3.545 -9.946 -8.720 1.00 0.00 O ATOM 974 CB VAL A 63 3.002 -7.960 -11.334 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.394 -8.984 -12.391 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.560 -8.096 -10.993 1.00 0.00 C ATOM 0 H VAL A 63 4.996 -6.683 -11.311 1.00 0.00 H new ATOM 0 HA VAL A 63 3.324 -7.486 -9.204 1.00 0.00 H new ATOM 0 HB VAL A 63 3.208 -6.999 -11.806 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.724 -8.898 -13.247 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.419 -8.801 -12.713 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.320 -9.987 -11.971 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.969 -8.108 -11.909 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.401 -9.026 -10.447 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.252 -7.254 -10.373 1.00 0.00 H new ATOM 986 N SER A 64 5.266 -9.859 -10.137 1.00 0.00 N ATOM 987 CA SER A 64 5.873 -11.118 -9.831 1.00 0.00 C ATOM 988 C SER A 64 6.257 -11.218 -8.349 1.00 0.00 C ATOM 989 O SER A 64 6.023 -12.225 -7.687 1.00 0.00 O ATOM 990 CB SER A 64 7.185 -11.120 -10.569 1.00 0.00 C ATOM 991 OG SER A 64 6.949 -10.808 -11.938 1.00 0.00 O ATOM 0 H SER A 64 5.762 -9.359 -10.875 1.00 0.00 H new ATOM 0 HA SER A 64 5.184 -11.922 -10.090 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.865 -10.391 -10.129 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.664 -12.095 -10.483 1.00 0.00 H new ATOM 0 HG SER A 64 7.236 -9.889 -12.118 1.00 0.00 H new ATOM 997 N SER A 65 6.853 -10.161 -7.857 1.00 0.00 N ATOM 998 CA SER A 65 7.424 -10.126 -6.557 1.00 0.00 C ATOM 999 C SER A 65 6.526 -9.423 -5.560 1.00 0.00 C ATOM 1000 O SER A 65 6.913 -9.204 -4.433 1.00 0.00 O ATOM 1001 CB SER A 65 8.778 -9.427 -6.611 1.00 0.00 C ATOM 1002 OG SER A 65 9.566 -9.949 -7.681 1.00 0.00 O ATOM 0 H SER A 65 6.951 -9.286 -8.371 1.00 0.00 H new ATOM 0 HA SER A 65 7.547 -11.156 -6.221 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.636 -8.355 -6.745 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.302 -9.563 -5.665 1.00 0.00 H new ATOM 0 HG SER A 65 10.431 -9.490 -7.704 1.00 0.00 H new ATOM 1008 N TYR A 66 5.339 -9.086 -5.960 1.00 0.00 N ATOM 1009 CA TYR A 66 4.434 -8.397 -5.085 1.00 0.00 C ATOM 1010 C TYR A 66 3.311 -9.277 -4.686 1.00 0.00 C ATOM 1011 O TYR A 66 2.857 -10.109 -5.469 1.00 0.00 O ATOM 1012 CB TYR A 66 3.931 -7.099 -5.678 1.00 0.00 C ATOM 1013 CG TYR A 66 4.860 -5.936 -5.469 1.00 0.00 C ATOM 1014 CD1 TYR A 66 5.889 -5.665 -6.337 1.00 0.00 C ATOM 1015 CD2 TYR A 66 4.679 -5.096 -4.394 1.00 0.00 C ATOM 1016 CE1 TYR A 66 6.712 -4.582 -6.143 1.00 0.00 C ATOM 1017 CE2 TYR A 66 5.491 -4.015 -4.183 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.505 -3.757 -5.061 1.00 0.00 C ATOM 1019 OH TYR A 66 7.316 -2.670 -4.862 1.00 0.00 O ATOM 0 H TYR A 66 4.970 -9.277 -6.892 1.00 0.00 H new ATOM 0 HA TYR A 66 4.996 -8.133 -4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.771 -7.237 -6.747 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.962 -6.861 -5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.054 -6.313 -7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.876 -5.295 -3.700 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.516 -4.379 -6.835 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.332 -3.372 -3.330 1.00 0.00 H new ATOM 0 HH TYR A 66 7.637 -2.339 -5.727 1.00 0.00 H new ATOM 1029 N ALA A 67 2.891 -9.125 -3.461 1.00 0.00 N ATOM 1030 CA ALA A 67 1.843 -9.912 -2.923 1.00 0.00 C ATOM 1031 C ALA A 67 1.084 -9.134 -1.895 1.00 0.00 C ATOM 1032 O ALA A 67 1.649 -8.261 -1.216 1.00 0.00 O ATOM 1033 CB ALA A 67 2.396 -11.166 -2.292 1.00 0.00 C ATOM 0 H ALA A 67 3.278 -8.441 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 67 1.171 -10.186 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.578 -11.759 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.926 -11.749 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.084 -10.897 -1.491 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.188 -9.424 -1.821 1.00 0.00 N ATOM 1040 CA LEU A 68 -1.052 -8.885 -0.825 1.00 0.00 C ATOM 1041 C LEU A 68 -0.854 -9.677 0.438 1.00 0.00 C ATOM 1042 O LEU A 68 -0.770 -10.894 0.387 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.493 -9.028 -1.301 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.826 -8.302 -2.605 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.234 -8.622 -3.030 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.648 -6.791 -2.448 1.00 0.00 C ATOM 0 H LEU A 68 -0.655 -10.057 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.834 -7.833 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.713 -10.088 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.155 -8.657 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.137 -8.646 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.461 -8.100 -3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.332 -9.697 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.930 -8.301 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.891 -6.296 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.312 -6.426 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.615 -6.572 -2.179 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.737 -9.023 1.532 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.489 -9.678 2.779 1.00 0.00 C ATOM 1060 C GLN A 69 -1.550 -9.255 3.780 1.00 0.00 C ATOM 1061 O GLN A 69 -2.044 -8.115 3.729 1.00 0.00 O ATOM 1062 CB GLN A 69 0.886 -9.252 3.312 1.00 0.00 C ATOM 1063 CG GLN A 69 1.382 -10.045 4.511 1.00 0.00 C ATOM 1064 CD GLN A 69 2.369 -9.271 5.350 1.00 0.00 C ATOM 1065 OE1 GLN A 69 3.558 -9.307 5.127 1.00 0.00 O ATOM 1066 NE2 GLN A 69 1.879 -8.594 6.341 1.00 0.00 N ATOM 0 H GLN A 69 -0.810 -8.008 1.598 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.514 -10.758 2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.616 -9.343 2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.843 -8.198 3.585 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.531 -10.332 5.129 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.849 -10.967 4.164 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.872 -8.583 6.503 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.500 -8.072 6.959 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.895 -10.162 4.657 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.802 -9.898 5.749 1.00 0.00 C ATOM 1077 C ASN A 70 -2.038 -9.116 6.817 1.00 0.00 C ATOM 1078 O ASN A 70 -0.893 -9.457 7.129 1.00 0.00 O ATOM 1079 CB ASN A 70 -3.294 -11.211 6.362 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.311 -11.000 7.479 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.951 -10.804 8.631 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.564 -11.067 7.158 1.00 0.00 N ATOM 0 H ASN A 70 -1.549 -11.121 4.634 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.661 -9.335 5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.742 -11.825 5.581 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.441 -11.765 6.754 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.281 -10.955 7.875 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.834 -11.232 6.188 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.628 -8.071 7.382 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.964 -7.244 8.398 1.00 0.00 C ATOM 1091 C PRO A 71 -1.795 -7.914 9.779 1.00 0.00 C ATOM 1092 O PRO A 71 -0.994 -7.444 10.607 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.885 -6.041 8.523 1.00 0.00 C ATOM 1094 CG PRO A 71 -4.226 -6.532 8.107 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.977 -7.561 7.049 1.00 0.00 C ATOM 0 HA PRO A 71 -0.942 -7.022 8.091 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.903 -5.664 9.545 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.551 -5.221 7.887 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.763 -6.963 8.952 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.838 -5.716 7.722 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.725 -8.354 7.075 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.008 -7.126 6.050 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.512 -8.991 10.051 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.427 -9.578 11.366 1.00 0.00 C ATOM 1105 C PHE A 72 -1.628 -10.855 11.355 1.00 0.00 C ATOM 1106 O PHE A 72 -0.723 -11.058 12.178 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.787 -9.878 11.961 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.742 -8.721 12.000 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -4.749 -7.847 13.062 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -5.648 -8.518 10.964 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -5.633 -6.792 13.098 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -6.534 -7.469 10.999 1.00 0.00 C ATOM 1113 CZ PHE A 72 -6.526 -6.605 12.067 1.00 0.00 C ATOM 0 H PHE A 72 -3.139 -9.461 9.398 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.928 -8.830 11.982 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.245 -10.686 11.390 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.647 -10.246 12.977 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.054 -7.990 13.876 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.655 -9.194 10.122 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.626 -6.111 13.936 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.234 -7.324 10.190 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.221 -5.779 12.098 1.00 0.00 H new ATOM 1123 N THR A 73 -1.928 -11.680 10.415 1.00 0.00 N ATOM 1124 CA THR A 73 -1.358 -13.003 10.337 1.00 0.00 C ATOM 1125 C THR A 73 -0.083 -12.987 9.524 1.00 0.00 C ATOM 1126 O THR A 73 0.736 -13.920 9.602 1.00 0.00 O ATOM 1127 CB THR A 73 -2.343 -13.951 9.680 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.587 -13.517 8.334 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.649 -13.923 10.433 1.00 0.00 C ATOM 0 H THR A 73 -2.583 -11.464 9.663 1.00 0.00 H new ATOM 0 HA THR A 73 -1.135 -13.337 11.350 1.00 0.00 H new ATOM 0 HB THR A 73 -1.930 -14.960 9.686 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.222 -14.127 7.904 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.356 -14.604 9.960 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.481 -14.233 11.465 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.055 -12.912 10.419 1.00 0.00 H new ATOM 1137 N LEU A 74 0.073 -11.918 8.744 1.00 0.00 N ATOM 1138 CA LEU A 74 1.197 -11.715 7.844 1.00 0.00 C ATOM 1139 C LEU A 74 1.201 -12.756 6.738 1.00 0.00 C ATOM 1140 O LEU A 74 2.227 -13.008 6.100 1.00 0.00 O ATOM 1141 CB LEU A 74 2.531 -11.688 8.589 1.00 0.00 C ATOM 1142 CG LEU A 74 2.638 -10.724 9.743 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.072 -10.475 10.072 1.00 0.00 C ATOM 1144 CD2 LEU A 74 1.880 -9.432 9.505 1.00 0.00 C ATOM 0 H LEU A 74 -0.599 -11.151 8.723 1.00 0.00 H new ATOM 0 HA LEU A 74 1.072 -10.734 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.733 -12.692 8.963 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.317 -11.451 7.872 1.00 0.00 H new ATOM 0 HG LEU A 74 2.159 -11.189 10.604 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.138 -9.777 10.907 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.551 -11.415 10.346 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.576 -10.050 9.204 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.994 -8.779 10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.277 -8.935 8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.823 -9.653 9.354 1.00 0.00 H new ATOM 1156 N ALA A 75 0.035 -13.326 6.483 1.00 0.00 N ATOM 1157 CA ALA A 75 -0.114 -14.310 5.446 1.00 0.00 C ATOM 1158 C ALA A 75 -0.247 -13.646 4.114 1.00 0.00 C ATOM 1159 O ALA A 75 -0.978 -12.659 3.972 1.00 0.00 O ATOM 1160 CB ALA A 75 -1.312 -15.177 5.689 1.00 0.00 C ATOM 0 H ALA A 75 -0.824 -13.115 6.990 1.00 0.00 H new ATOM 0 HA ALA A 75 0.778 -14.936 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.398 -15.911 4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.201 -15.692 6.643 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.210 -14.559 5.713 1.00 0.00 H new ATOM 1166 N TYR A 76 0.439 -14.165 3.158 1.00 0.00 N ATOM 1167 CA TYR A 76 0.428 -13.618 1.839 1.00 0.00 C ATOM 1168 C TYR A 76 -0.579 -14.300 0.967 1.00 0.00 C ATOM 1169 O TYR A 76 -0.901 -15.480 1.158 1.00 0.00 O ATOM 1170 CB TYR A 76 1.793 -13.730 1.211 1.00 0.00 C ATOM 1171 CG TYR A 76 2.790 -12.766 1.767 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.510 -13.046 2.906 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.025 -11.583 1.119 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.454 -12.159 3.375 1.00 0.00 C ATOM 1175 CE2 TYR A 76 3.950 -10.684 1.569 1.00 0.00 C ATOM 1176 CZ TYR A 76 4.672 -10.978 2.700 1.00 0.00 C ATOM 1177 OH TYR A 76 5.624 -10.100 3.149 1.00 0.00 O ATOM 0 H TYR A 76 1.031 -14.989 3.266 1.00 0.00 H new ATOM 0 HA TYR A 76 0.151 -12.567 1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.165 -14.745 1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.704 -13.568 0.137 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.333 -13.970 3.437 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.463 -11.354 0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.020 -12.388 4.266 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.111 -9.755 1.043 1.00 0.00 H new ATOM 0 HH TYR A 76 5.995 -9.604 2.390 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.095 -13.568 0.043 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.961 -14.090 -0.942 1.00 0.00 C ATOM 1189 C VAL A 77 -1.092 -14.536 -2.111 1.00 0.00 C ATOM 1190 O VAL A 77 -0.491 -13.718 -2.824 1.00 0.00 O ATOM 1191 CB VAL A 77 -3.012 -13.027 -1.382 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -3.926 -13.565 -2.466 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.836 -12.571 -0.176 1.00 0.00 C ATOM 0 H VAL A 77 -0.920 -12.567 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.528 -14.935 -0.550 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.473 -12.173 -1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.646 -12.797 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.333 -13.844 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.457 -14.441 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.567 -11.828 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.353 -13.428 0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.175 -12.132 0.571 1.00 0.00 H new ATOM 1203 N GLU A 78 -0.955 -15.829 -2.233 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.154 -16.447 -3.253 1.00 0.00 C ATOM 1205 C GLU A 78 -1.065 -17.081 -4.268 1.00 0.00 C ATOM 1206 O GLU A 78 -0.656 -17.817 -5.180 1.00 0.00 O ATOM 1207 CB GLU A 78 0.754 -17.446 -2.601 1.00 0.00 C ATOM 1208 CG GLU A 78 1.651 -16.787 -1.547 1.00 0.00 C ATOM 1209 CD GLU A 78 2.777 -17.644 -1.063 1.00 0.00 C ATOM 1210 OE1 GLU A 78 2.530 -18.655 -0.418 1.00 0.00 O ATOM 1211 OE2 GLU A 78 3.954 -17.265 -1.278 1.00 0.00 O ATOM 0 H GLU A 78 -1.409 -16.497 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 78 0.465 -15.717 -3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.158 -18.230 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.373 -17.925 -3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.064 -15.869 -1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.036 -16.501 -0.693 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.313 -16.728 -4.106 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.390 -17.132 -4.911 1.00 0.00 C ATOM 1220 C ASP A 79 -3.345 -16.385 -6.199 1.00 0.00 C ATOM 1221 O ASP A 79 -2.782 -15.291 -6.290 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.725 -16.781 -4.223 1.00 0.00 C ATOM 1223 CG ASP A 79 -4.879 -17.389 -2.835 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.355 -16.816 -1.851 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -5.522 -18.463 -2.699 1.00 0.00 O ATOM 0 H ASP A 79 -2.603 -16.107 -3.350 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.318 -18.207 -5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.810 -15.697 -4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.548 -17.121 -4.852 1.00 0.00 H new ATOM 1230 N SER A 80 -3.891 -16.973 -7.173 1.00 0.00 N ATOM 1231 CA SER A 80 -4.024 -16.404 -8.453 1.00 0.00 C ATOM 1232 C SER A 80 -5.242 -15.516 -8.518 1.00 0.00 C ATOM 1233 O SER A 80 -5.239 -14.467 -9.167 1.00 0.00 O ATOM 1234 CB SER A 80 -4.092 -17.494 -9.463 1.00 0.00 C ATOM 1235 OG SER A 80 -2.844 -18.183 -9.540 1.00 0.00 O ATOM 0 H SER A 80 -4.280 -17.913 -7.105 1.00 0.00 H new ATOM 0 HA SER A 80 -3.158 -15.778 -8.667 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.885 -18.194 -9.199 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.346 -17.079 -10.438 1.00 0.00 H new ATOM 0 HG SER A 80 -2.906 -18.898 -10.207 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.263 -15.918 -7.827 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.471 -15.195 -7.728 1.00 0.00 C ATOM 1243 C PHE A 81 -7.855 -15.062 -6.271 1.00 0.00 C ATOM 1244 O PHE A 81 -7.562 -15.936 -5.455 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.563 -15.896 -8.471 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.449 -15.871 -9.961 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.616 -16.757 -10.609 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -9.173 -14.963 -10.711 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.502 -16.744 -11.979 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -9.067 -14.945 -12.083 1.00 0.00 C ATOM 1251 CZ PHE A 81 -8.230 -15.838 -12.719 1.00 0.00 C ATOM 0 H PHE A 81 -6.268 -16.792 -7.301 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.329 -14.207 -8.166 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.591 -16.935 -8.144 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.516 -15.447 -8.190 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.045 -17.471 -10.033 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.828 -14.261 -10.216 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.843 -17.442 -12.474 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.638 -14.233 -12.661 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.145 -15.827 -13.796 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.518 -13.982 -5.973 1.00 0.00 N ATOM 1262 CA LEU A 82 -8.987 -13.672 -4.638 1.00 0.00 C ATOM 1263 C LEU A 82 -10.309 -14.321 -4.392 1.00 0.00 C ATOM 1264 O LEU A 82 -11.075 -14.578 -5.323 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.146 -12.167 -4.495 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.860 -11.416 -4.176 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.112 -9.926 -4.089 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.262 -11.944 -2.865 1.00 0.00 C ATOM 0 H LEU A 82 -8.757 -13.270 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.261 -14.044 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.562 -11.770 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.872 -11.966 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.147 -11.585 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.178 -9.412 -3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.500 -9.566 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.839 -9.725 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.342 -11.404 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.976 -11.797 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.043 -13.007 -2.967 1.00 0.00 H new ATOM 1280 N THR A 83 -10.569 -14.585 -3.164 1.00 0.00 N ATOM 1281 CA THR A 83 -11.801 -15.135 -2.752 1.00 0.00 C ATOM 1282 C THR A 83 -12.576 -14.048 -2.018 1.00 0.00 C ATOM 1283 O THR A 83 -11.960 -13.070 -1.558 1.00 0.00 O ATOM 1284 CB THR A 83 -11.556 -16.325 -1.792 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.742 -15.889 -0.692 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.856 -17.462 -2.507 1.00 0.00 C ATOM 0 H THR A 83 -9.913 -14.419 -2.401 1.00 0.00 H new ATOM 0 HA THR A 83 -12.360 -15.493 -3.617 1.00 0.00 H new ATOM 0 HB THR A 83 -12.521 -16.681 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.587 -16.640 -0.082 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.695 -18.285 -1.811 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.473 -17.804 -3.338 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.895 -17.116 -2.887 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.914 -14.167 -1.906 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.716 -13.245 -1.090 1.00 0.00 C ATOM 1296 C PRO A 84 -14.212 -13.282 0.348 1.00 0.00 C ATOM 1297 O PRO A 84 -14.146 -12.271 1.021 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.127 -13.832 -1.165 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.143 -14.621 -2.423 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.756 -15.168 -2.590 1.00 0.00 C ATOM 0 HA PRO A 84 -14.670 -12.210 -1.429 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.340 -14.461 -0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.882 -13.046 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.875 -15.426 -2.368 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.420 -13.995 -3.272 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.655 -16.155 -2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.487 -15.270 -3.641 1.00 0.00 H new ATOM 1308 N GLU A 85 -13.806 -14.462 0.769 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.269 -14.700 2.088 1.00 0.00 C ATOM 1310 C GLU A 85 -12.000 -13.879 2.343 1.00 0.00 C ATOM 1311 O GLU A 85 -11.842 -13.306 3.421 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.021 -16.180 2.256 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.282 -17.000 2.103 1.00 0.00 C ATOM 1314 CD GLU A 85 -14.033 -18.475 2.120 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -13.943 -19.059 3.202 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -13.954 -19.082 1.041 1.00 0.00 O ATOM 0 H GLU A 85 -13.842 -15.300 0.188 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.995 -14.373 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.287 -16.508 1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.590 -16.363 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.973 -16.746 2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.771 -16.732 1.166 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.118 -13.798 1.339 1.00 0.00 N ATOM 1324 CA ARG A 86 -9.902 -12.988 1.454 1.00 0.00 C ATOM 1325 C ARG A 86 -10.264 -11.531 1.612 1.00 0.00 C ATOM 1326 O ARG A 86 -9.690 -10.832 2.438 1.00 0.00 O ATOM 1327 CB ARG A 86 -8.953 -13.156 0.280 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.012 -14.362 0.249 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.031 -14.355 1.412 1.00 0.00 C ATOM 1330 NE ARG A 86 -7.569 -15.058 2.561 1.00 0.00 N ATOM 1331 CZ ARG A 86 -7.581 -14.636 3.831 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -7.115 -13.426 4.172 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -8.053 -15.442 4.759 1.00 0.00 N ATOM 0 H ARG A 86 -11.223 -14.279 0.446 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.375 -13.346 2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.556 -13.186 -0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.338 -12.258 0.224 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.599 -15.280 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.459 -14.365 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.095 -14.821 1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.799 -13.326 1.688 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.983 -15.973 2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.740 -12.804 3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.135 -13.128 5.147 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.400 -16.367 4.503 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.072 -15.142 5.734 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.229 -11.099 0.823 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.700 -9.739 0.844 1.00 0.00 C ATOM 1349 C LEU A 87 -12.302 -9.412 2.189 1.00 0.00 C ATOM 1350 O LEU A 87 -11.979 -8.403 2.789 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.732 -9.531 -0.255 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.285 -9.804 -1.672 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.395 -9.463 -2.658 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.048 -9.015 -1.966 1.00 0.00 C ATOM 0 H LEU A 87 -11.708 -11.692 0.146 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.855 -9.072 0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.589 -10.169 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.081 -8.500 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.060 -10.865 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.055 -9.666 -3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.274 -10.071 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.652 -8.408 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.725 -9.212 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.259 -7.952 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.258 -9.306 -1.274 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.154 -10.288 2.654 1.00 0.00 N ATOM 1367 CA VAL A 88 -13.803 -10.152 3.897 1.00 0.00 C ATOM 1368 C VAL A 88 -12.870 -10.110 5.075 1.00 0.00 C ATOM 1369 O VAL A 88 -12.997 -9.233 5.951 1.00 0.00 O ATOM 1370 CB VAL A 88 -14.964 -11.153 4.000 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.395 -11.256 5.409 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.143 -10.848 3.116 1.00 0.00 C ATOM 0 H VAL A 88 -13.412 -11.136 2.149 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.252 -9.160 3.941 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.576 -12.105 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.219 -11.965 5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.561 -11.600 6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.724 -10.278 5.761 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -16.911 -11.609 3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.549 -9.870 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -15.825 -10.844 2.074 1.00 0.00 H new ATOM 1382 N GLU A 89 -11.923 -10.999 5.096 1.00 0.00 N ATOM 1383 CA GLU A 89 -10.919 -10.958 6.116 1.00 0.00 C ATOM 1384 C GLU A 89 -10.021 -9.722 6.018 1.00 0.00 C ATOM 1385 O GLU A 89 -9.455 -9.266 7.022 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.142 -12.218 6.136 1.00 0.00 C ATOM 1387 CG GLU A 89 -10.922 -13.318 6.827 1.00 0.00 C ATOM 1388 CD GLU A 89 -10.309 -14.671 6.736 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -9.219 -14.888 7.319 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -10.897 -15.544 6.088 1.00 0.00 O ATOM 0 H GLU A 89 -11.824 -11.758 4.422 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.433 -10.867 7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.904 -12.520 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.195 -12.059 6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.037 -13.057 7.879 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.923 -13.359 6.398 1.00 0.00 H new ATOM 1397 N ALA A 90 -9.870 -9.212 4.827 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.096 -7.978 4.606 1.00 0.00 C ATOM 1399 C ALA A 90 -9.856 -6.706 4.983 1.00 0.00 C ATOM 1400 O ALA A 90 -9.271 -5.839 5.630 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.538 -7.894 3.210 1.00 0.00 C ATOM 0 H ALA A 90 -10.266 -9.618 3.979 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.252 -8.043 5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.976 -6.967 3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.878 -8.742 3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.356 -7.912 2.490 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.155 -6.584 4.605 1.00 0.00 N ATOM 1408 CA GLU A 91 -11.976 -5.419 4.993 1.00 0.00 C ATOM 1409 C GLU A 91 -11.993 -5.117 6.460 1.00 0.00 C ATOM 1410 O GLU A 91 -12.309 -3.991 6.882 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.378 -5.516 4.465 1.00 0.00 C ATOM 1412 CG GLU A 91 -13.523 -4.857 3.122 1.00 0.00 C ATOM 1413 CD GLU A 91 -13.426 -3.348 3.232 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -12.304 -2.800 3.381 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -14.487 -2.679 3.215 1.00 0.00 O ATOM 0 H GLU A 91 -11.648 -7.274 4.038 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.472 -4.576 4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.664 -6.565 4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.064 -5.051 5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.748 -5.225 2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.482 -5.130 2.683 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.687 -6.125 7.239 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.494 -6.007 8.655 1.00 0.00 C ATOM 1424 C LYS A 92 -10.502 -4.901 8.998 1.00 0.00 C ATOM 1425 O LYS A 92 -10.626 -4.231 10.029 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.000 -7.309 9.142 1.00 0.00 C ATOM 1427 CG LYS A 92 -12.099 -8.322 9.058 1.00 0.00 C ATOM 1428 CD LYS A 92 -11.660 -9.621 9.549 1.00 0.00 C ATOM 1429 CE LYS A 92 -12.801 -10.619 9.535 1.00 0.00 C ATOM 1430 NZ LYS A 92 -13.797 -10.354 10.598 1.00 0.00 N ATOM 0 H LYS A 92 -11.563 -7.076 6.891 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.436 -5.742 9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.146 -7.632 8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.654 -7.217 10.171 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -12.956 -7.981 9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.432 -8.415 8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.841 -9.990 8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -11.273 -9.519 10.563 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -13.294 -10.589 8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.401 -11.625 9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.462 -11.152 10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.310 -10.240 11.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -14.320 -9.483 10.374 1.00 0.00 H new ATOM 1444 N SER A 93 -9.505 -4.725 8.141 1.00 0.00 N ATOM 1445 CA SER A 93 -8.552 -3.661 8.285 1.00 0.00 C ATOM 1446 C SER A 93 -8.027 -3.092 6.941 1.00 0.00 C ATOM 1447 O SER A 93 -8.567 -2.112 6.419 1.00 0.00 O ATOM 1448 CB SER A 93 -7.448 -4.063 9.222 1.00 0.00 C ATOM 1449 OG SER A 93 -7.966 -4.303 10.528 1.00 0.00 O ATOM 0 H SER A 93 -9.344 -5.322 7.330 1.00 0.00 H new ATOM 0 HA SER A 93 -9.086 -2.823 8.733 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.955 -4.961 8.849 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.693 -3.278 9.262 1.00 0.00 H new ATOM 0 HG SER A 93 -8.936 -4.161 10.527 1.00 0.00 H new ATOM 1455 N TYR A 94 -7.035 -3.736 6.381 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.370 -3.321 5.157 1.00 0.00 C ATOM 1457 C TYR A 94 -5.696 -4.540 4.532 1.00 0.00 C ATOM 1458 O TYR A 94 -5.722 -5.635 5.108 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.221 -2.277 5.409 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.148 -2.500 6.423 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.458 -2.596 7.745 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.813 -2.501 6.052 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.477 -2.702 8.709 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.827 -2.620 6.992 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.153 -2.718 8.320 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.151 -2.818 9.261 1.00 0.00 O ATOM 0 H TYR A 94 -6.649 -4.595 6.773 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.134 -2.872 4.523 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.721 -2.126 4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.705 -1.335 5.668 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.495 -2.589 8.046 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.548 -2.407 5.009 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.741 -2.772 9.754 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.791 -2.637 6.688 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.280 -2.816 8.813 1.00 0.00 H new ATOM 1476 N PHE A 95 -5.088 -4.329 3.393 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.215 -5.289 2.730 1.00 0.00 C ATOM 1478 C PHE A 95 -2.856 -4.655 2.697 1.00 0.00 C ATOM 1479 O PHE A 95 -2.760 -3.442 2.730 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.611 -5.545 1.261 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.425 -6.778 0.969 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.985 -8.030 1.373 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.591 -6.692 0.224 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.694 -9.170 1.047 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.311 -7.828 -0.098 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.860 -9.070 0.312 1.00 0.00 C ATOM 0 H PHE A 95 -5.185 -3.455 2.876 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.267 -6.236 3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.171 -4.680 0.907 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.697 -5.597 0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.076 -8.115 1.950 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.941 -5.726 -0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.337 -10.138 1.366 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.224 -7.746 -0.669 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.418 -9.959 0.058 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.819 -5.426 2.691 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.503 -4.858 2.500 1.00 0.00 C ATOM 1498 C ILE A 96 0.043 -5.386 1.183 1.00 0.00 C ATOM 1499 O ILE A 96 -0.193 -6.508 0.841 1.00 0.00 O ATOM 1500 CB ILE A 96 0.463 -5.170 3.650 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.223 -4.877 4.975 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.721 -4.316 3.508 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.676 -4.974 6.162 1.00 0.00 C ATOM 0 H ILE A 96 -1.843 -6.438 2.813 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.594 -3.772 2.482 1.00 0.00 H new ATOM 0 HB ILE A 96 0.746 -6.222 3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.650 -3.875 4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.053 -5.572 5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.406 -4.539 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.206 -4.538 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.450 -3.261 3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.110 -4.751 7.066 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.083 -5.983 6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.493 -4.259 6.059 1.00 0.00 H new ATOM 1515 N LEU A 97 0.706 -4.564 0.450 1.00 0.00 N ATOM 1516 CA LEU A 97 1.240 -4.917 -0.829 1.00 0.00 C ATOM 1517 C LEU A 97 2.740 -4.739 -0.724 1.00 0.00 C ATOM 1518 O LEU A 97 3.240 -3.616 -0.608 1.00 0.00 O ATOM 1519 CB LEU A 97 0.602 -3.983 -1.873 1.00 0.00 C ATOM 1520 CG LEU A 97 0.708 -4.320 -3.376 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.744 -3.484 -4.044 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.969 -5.803 -3.614 1.00 0.00 C ATOM 0 H LEU A 97 0.900 -3.601 0.725 1.00 0.00 H new ATOM 0 HA LEU A 97 1.026 -5.942 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.458 -3.904 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.036 -2.993 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.258 -4.086 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.795 -3.744 -5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.483 -2.431 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.713 -3.664 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.036 -5.993 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.906 -6.089 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.152 -6.389 -3.192 1.00 0.00 H new ATOM 1534 N ARG A 98 3.442 -5.835 -0.674 1.00 0.00 N ATOM 1535 CA ARG A 98 4.875 -5.802 -0.421 1.00 0.00 C ATOM 1536 C ARG A 98 5.604 -6.598 -1.453 1.00 0.00 C ATOM 1537 O ARG A 98 5.000 -7.458 -2.113 1.00 0.00 O ATOM 1538 CB ARG A 98 5.184 -6.508 0.896 1.00 0.00 C ATOM 1539 CG ARG A 98 4.327 -6.131 2.062 1.00 0.00 C ATOM 1540 CD ARG A 98 4.710 -6.938 3.278 1.00 0.00 C ATOM 1541 NE ARG A 98 6.099 -6.692 3.689 1.00 0.00 N ATOM 1542 CZ ARG A 98 6.717 -7.306 4.696 1.00 0.00 C ATOM 1543 NH1 ARG A 98 6.110 -8.274 5.360 1.00 0.00 N ATOM 1544 NH2 ARG A 98 7.958 -6.965 5.008 1.00 0.00 N ATOM 0 H ARG A 98 3.055 -6.770 -0.804 1.00 0.00 H new ATOM 0 HA ARG A 98 5.177 -4.755 -0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.095 -7.583 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.224 -6.309 1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.437 -5.067 2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.278 -6.301 1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.040 -6.692 4.102 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.578 -7.999 3.065 1.00 0.00 H new ATOM 0 HE ARG A 98 6.630 -5.998 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.164 -8.554 5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.588 -8.741 6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.435 -6.236 4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.437 -7.432 5.778 1.00 0.00 H new ATOM 1558 N MET A 99 6.891 -6.320 -1.601 1.00 0.00 N ATOM 1559 CA MET A 99 7.734 -7.189 -2.325 1.00 0.00 C ATOM 1560 C MET A 99 8.004 -8.358 -1.422 1.00 0.00 C ATOM 1561 O MET A 99 8.397 -8.168 -0.252 1.00 0.00 O ATOM 1562 CB MET A 99 9.064 -6.550 -2.699 1.00 0.00 C ATOM 1563 CG MET A 99 8.947 -5.325 -3.566 1.00 0.00 C ATOM 1564 SD MET A 99 10.468 -4.894 -4.452 1.00 0.00 S ATOM 1565 CE MET A 99 10.565 -6.253 -5.627 1.00 0.00 C ATOM 0 H MET A 99 7.351 -5.493 -1.220 1.00 0.00 H new ATOM 0 HA MET A 99 7.244 -7.465 -3.259 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.594 -6.283 -1.785 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.675 -7.289 -3.217 1.00 0.00 H new ATOM 0 HG2 MET A 99 8.149 -5.482 -4.292 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.650 -4.480 -2.944 1.00 0.00 H new ATOM 0 HE1 MET A 99 11.476 -6.824 -5.448 1.00 0.00 H new ATOM 0 HE2 MET A 99 9.699 -6.903 -5.504 1.00 0.00 H new ATOM 0 HE3 MET A 99 10.579 -5.856 -6.642 1.00 0.00 H new ATOM 1575 N LYS A 100 7.782 -9.519 -1.921 1.00 0.00 N ATOM 1576 CA LYS A 100 7.901 -10.730 -1.173 1.00 0.00 C ATOM 1577 C LYS A 100 9.334 -10.999 -0.778 1.00 0.00 C ATOM 1578 O LYS A 100 10.221 -10.995 -1.634 1.00 0.00 O ATOM 1579 CB LYS A 100 7.394 -11.896 -1.987 1.00 0.00 C ATOM 1580 CG LYS A 100 5.948 -11.789 -2.414 1.00 0.00 C ATOM 1581 CD LYS A 100 5.483 -13.031 -3.180 1.00 0.00 C ATOM 1582 CE LYS A 100 5.343 -14.249 -2.267 1.00 0.00 C ATOM 1583 NZ LYS A 100 4.838 -15.437 -2.995 1.00 0.00 N ATOM 0 H LYS A 100 7.503 -9.664 -2.891 1.00 0.00 H new ATOM 0 HA LYS A 100 7.304 -10.614 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.015 -11.997 -2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.520 -12.809 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.320 -11.649 -1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.819 -10.907 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.525 -12.824 -3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.195 -13.254 -3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.311 -14.481 -1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.665 -14.011 -1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.488 -16.139 -2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.063 -15.153 -3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.608 -15.854 -3.556 1.00 0.00 H new ATOM 1597 N PRO A 101 9.592 -11.206 0.517 1.00 0.00 N ATOM 1598 CA PRO A 101 10.906 -11.592 0.986 1.00 0.00 C ATOM 1599 C PRO A 101 11.169 -13.033 0.580 1.00 0.00 C ATOM 1600 O PRO A 101 10.624 -14.000 1.164 1.00 0.00 O ATOM 1601 CB PRO A 101 10.823 -11.453 2.492 1.00 0.00 C ATOM 1602 CG PRO A 101 9.380 -11.642 2.796 1.00 0.00 C ATOM 1603 CD PRO A 101 8.627 -11.081 1.622 1.00 0.00 C ATOM 0 HA PRO A 101 11.714 -10.988 0.573 1.00 0.00 H new ATOM 0 HB2 PRO A 101 11.437 -12.200 2.995 1.00 0.00 H new ATOM 0 HB3 PRO A 101 11.175 -10.476 2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.147 -12.697 2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.105 -11.127 3.717 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.713 -11.641 1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.336 -10.044 1.788 1.00 0.00 H new ATOM 1611 N HIS A 102 11.923 -13.158 -0.442 1.00 0.00 N ATOM 1612 CA HIS A 102 12.189 -14.405 -1.095 1.00 0.00 C ATOM 1613 C HIS A 102 13.301 -14.154 -2.089 1.00 0.00 C ATOM 1614 O HIS A 102 13.427 -13.028 -2.595 1.00 0.00 O ATOM 1615 CB HIS A 102 10.903 -14.845 -1.834 1.00 0.00 C ATOM 1616 CG HIS A 102 10.939 -16.195 -2.465 1.00 0.00 C ATOM 1617 ND1 HIS A 102 10.997 -16.395 -3.824 1.00 0.00 N ATOM 1618 CD2 HIS A 102 10.882 -17.420 -1.910 1.00 0.00 C ATOM 1619 CE1 HIS A 102 10.978 -17.683 -4.072 1.00 0.00 C ATOM 1620 NE2 HIS A 102 10.910 -18.326 -2.929 1.00 0.00 N ATOM 0 H HIS A 102 12.399 -12.367 -0.876 1.00 0.00 H new ATOM 0 HA HIS A 102 12.481 -15.184 -0.391 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.075 -14.819 -1.126 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.684 -14.110 -2.608 1.00 0.00 H new ATOM 0 HD2 HIS A 102 10.825 -17.644 -0.855 1.00 0.00 H new ATOM 0 HE1 HIS A 102 11.012 -18.138 -5.051 1.00 0.00 H new ATOM 0 HE2 HIS A 102 10.883 -19.340 -2.821 1.00 0.00 H new ATOM 1629 N ALA A 103 14.098 -15.146 -2.368 1.00 0.00 N ATOM 1630 CA ALA A 103 15.161 -14.982 -3.325 1.00 0.00 C ATOM 1631 C ALA A 103 14.582 -14.951 -4.719 1.00 0.00 C ATOM 1632 O ALA A 103 13.622 -15.673 -5.020 1.00 0.00 O ATOM 1633 CB ALA A 103 16.201 -16.083 -3.201 1.00 0.00 C ATOM 0 H ALA A 103 14.035 -16.074 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 103 15.666 -14.038 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 103 16.987 -15.926 -3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 103 16.633 -16.064 -2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 103 15.729 -17.050 -3.374 1.00 0.00 H new ATOM 1639 N ILE A 104 15.125 -14.113 -5.542 1.00 0.00 N ATOM 1640 CA ILE A 104 14.690 -13.970 -6.862 1.00 0.00 C ATOM 1641 C ILE A 104 15.289 -15.079 -7.709 1.00 0.00 C ATOM 1642 O ILE A 104 16.516 -15.227 -7.788 1.00 0.00 O ATOM 1643 CB ILE A 104 15.108 -12.610 -7.390 1.00 0.00 C ATOM 1644 CG1 ILE A 104 14.494 -11.475 -6.548 1.00 0.00 C ATOM 1645 CG2 ILE A 104 14.751 -12.477 -8.847 1.00 0.00 C ATOM 1646 CD1 ILE A 104 14.924 -10.079 -6.963 1.00 0.00 C ATOM 0 H ILE A 104 15.902 -13.501 -5.292 1.00 0.00 H new ATOM 0 HA ILE A 104 13.603 -14.040 -6.905 1.00 0.00 H new ATOM 0 HB ILE A 104 16.191 -12.525 -7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 104 13.408 -11.540 -6.610 1.00 0.00 H new ATOM 0 HG13 ILE A 104 14.763 -11.629 -5.503 1.00 0.00 H new ATOM 0 HG21 ILE A 104 15.058 -11.496 -9.209 1.00 0.00 H new ATOM 0 HG22 ILE A 104 15.263 -13.251 -9.419 1.00 0.00 H new ATOM 0 HG23 ILE A 104 13.674 -12.588 -8.969 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.444 -9.343 -6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 104 16.007 -9.990 -6.873 1.00 0.00 H new ATOM 0 HD13 ILE A 104 14.630 -9.900 -7.997 1.00 0.00 H new ATOM 1658 N ALA A 105 14.445 -15.888 -8.278 1.00 0.00 N ATOM 1659 CA ALA A 105 14.894 -16.953 -9.119 1.00 0.00 C ATOM 1660 C ALA A 105 14.875 -16.488 -10.550 1.00 0.00 C ATOM 1661 O ALA A 105 13.996 -15.701 -10.940 1.00 0.00 O ATOM 1662 CB ALA A 105 14.013 -18.178 -8.948 1.00 0.00 C ATOM 0 H ALA A 105 13.432 -15.828 -8.172 1.00 0.00 H new ATOM 0 HA ALA A 105 15.910 -17.230 -8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 105 14.371 -18.977 -9.597 1.00 0.00 H new ATOM 0 HB2 ALA A 105 14.048 -18.510 -7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 105 12.986 -17.928 -9.214 1.00 0.00 H new ATOM 1668 N ASP A 106 15.824 -16.960 -11.329 1.00 0.00 N ATOM 1669 CA ASP A 106 15.927 -16.619 -12.727 1.00 0.00 C ATOM 1670 C ASP A 106 14.982 -17.490 -13.477 1.00 0.00 C ATOM 1671 O ASP A 106 15.332 -18.563 -13.967 1.00 0.00 O ATOM 1672 CB ASP A 106 17.356 -16.765 -13.288 1.00 0.00 C ATOM 1673 CG ASP A 106 18.371 -15.861 -12.627 1.00 0.00 C ATOM 1674 OD1 ASP A 106 18.416 -14.650 -12.934 1.00 0.00 O ATOM 1675 OD2 ASP A 106 19.164 -16.346 -11.809 1.00 0.00 O ATOM 0 H ASP A 106 16.551 -17.597 -11.004 1.00 0.00 H new ATOM 0 HA ASP A 106 15.674 -15.565 -12.843 1.00 0.00 H new ATOM 0 HB2 ASP A 106 17.677 -17.800 -13.172 1.00 0.00 H new ATOM 0 HB3 ASP A 106 17.339 -16.554 -14.357 1.00 0.00 H new ATOM 1680 N ARG A 107 13.768 -17.104 -13.398 1.00 0.00 N ATOM 1681 CA ARG A 107 12.659 -17.784 -14.035 1.00 0.00 C ATOM 1682 C ARG A 107 12.796 -17.772 -15.559 1.00 0.00 C ATOM 1683 O ARG A 107 13.182 -16.727 -16.132 1.00 0.00 O ATOM 1684 CB ARG A 107 11.312 -17.200 -13.572 1.00 0.00 C ATOM 1685 CG ARG A 107 10.996 -15.801 -14.076 1.00 0.00 C ATOM 1686 CD ARG A 107 9.753 -15.253 -13.407 1.00 0.00 C ATOM 1687 NE ARG A 107 9.252 -14.034 -14.060 1.00 0.00 N ATOM 1688 CZ ARG A 107 9.131 -12.831 -13.483 1.00 0.00 C ATOM 1689 NH1 ARG A 107 9.687 -12.585 -12.297 1.00 0.00 N ATOM 1690 NH2 ARG A 107 8.495 -11.858 -14.124 1.00 0.00 N ATOM 1691 OXT ARG A 107 12.507 -18.798 -16.191 1.00 0.00 O ATOM 0 H ARG A 107 13.486 -16.276 -12.873 1.00 0.00 H new ATOM 0 HA ARG A 107 12.683 -18.828 -13.724 1.00 0.00 H new ATOM 0 HB2 ARG A 107 10.516 -17.871 -13.893 1.00 0.00 H new ATOM 0 HB3 ARG A 107 11.297 -17.186 -12.482 1.00 0.00 H new ATOM 0 HG2 ARG A 107 11.840 -15.140 -13.880 1.00 0.00 H new ATOM 0 HG3 ARG A 107 10.853 -15.823 -15.156 1.00 0.00 H new ATOM 0 HD2 ARG A 107 8.973 -16.014 -13.418 1.00 0.00 H new ATOM 0 HD3 ARG A 107 9.972 -15.037 -12.361 1.00 0.00 H new ATOM 0 HE ARG A 107 8.972 -14.111 -15.038 1.00 0.00 H new ATOM 0 HH11 ARG A 107 10.212 -13.317 -11.818 1.00 0.00 H new ATOM 0 HH12 ARG A 107 9.588 -11.665 -11.868 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.102 -12.029 -15.050 1.00 0.00 H new ATOM 0 HH22 ARG A 107 8.399 -10.940 -13.691 1.00 0.00 H new TER 1705 ARG A 107