USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 677 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 22 GLN : amide:sc= 0.005 X(o=0.28,f=0.58) USER MOD Set 1.2: A 24 SER OG : rot 180:sc= 0.277 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 1.21 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 6:sc= 0.268 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.587 X(o=-0.59,f=-0.75) USER MOD Single : A 23 ASN : amide:sc= -0.255 K(o=-0.26,f=-4.1!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 30:sc= -0.0433 USER MOD Single : A 27 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.55) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.024) USER MOD Single : A 33 SER OG : rot 180:sc= 0.126 USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -0.0487 (180deg=-0.33) USER MOD Single : A 36 GLN : amide:sc= 0.276 K(o=0.28,f=-7.3!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0456 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 72:sc= 0.305 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.69! K(o=-2.7!,f=-1.9) USER MOD Single : A 49 ASN : amide:sc= -0.541 K(o=-0.54,f=-6.4!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 54 LYS NZ :NH3+ -148:sc= -0.0619 (180deg=-1.06) USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= -0.0816 (180deg=-0.515) USER MOD Single : A 59 GLN : amide:sc= -0.606 K(o=-0.61,f=-3.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -3.33! C(o=-3.3!,f=-4.6!) USER MOD Single : A 67 SER OG : rot 19:sc= 0.215 USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -0.0056 (180deg=-0.164) USER MOD Single : A 69 GLN : amide:sc= -0.0306 K(o=-0.031,f=-1.5) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -118:sc= -1.3 (180deg=-3.38!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.951 -42.273 -35.084 1.00 0.00 N ATOM 2 CA GLY A 1 25.788 -41.425 -34.903 1.00 0.00 C ATOM 3 C GLY A 1 24.489 -42.157 -35.175 1.00 0.00 C ATOM 4 O GLY A 1 24.114 -42.363 -36.329 1.00 0.00 O ATOM 0 H1 GLY A 1 27.813 -41.726 -34.886 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.896 -43.081 -34.432 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.978 -42.620 -36.064 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.778 -41.040 -33.883 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.863 -40.564 -35.568 1.00 0.00 H new ATOM 8 N SER A 2 23.800 -42.553 -34.109 1.00 0.00 N ATOM 9 CA SER A 2 22.538 -43.272 -34.238 1.00 0.00 C ATOM 10 C SER A 2 21.807 -43.331 -32.900 1.00 0.00 C ATOM 11 O SER A 2 22.256 -42.756 -31.909 1.00 0.00 O ATOM 12 CB SER A 2 22.785 -44.689 -34.760 1.00 0.00 C ATOM 13 OG SER A 2 22.789 -44.717 -36.177 1.00 0.00 O ATOM 0 H SER A 2 24.095 -42.388 -33.147 1.00 0.00 H new ATOM 0 HA SER A 2 21.913 -42.734 -34.950 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.739 -45.058 -34.383 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.013 -45.359 -34.382 1.00 0.00 H new ATOM 0 HG SER A 2 23.241 -43.917 -36.519 1.00 0.00 H new ATOM 19 N SER A 3 20.678 -44.032 -32.881 1.00 0.00 N ATOM 20 CA SER A 3 19.881 -44.164 -31.666 1.00 0.00 C ATOM 21 C SER A 3 19.344 -42.808 -31.219 1.00 0.00 C ATOM 22 O SER A 3 19.395 -42.466 -30.039 1.00 0.00 O ATOM 23 CB SER A 3 20.718 -44.787 -30.547 1.00 0.00 C ATOM 24 OG SER A 3 21.321 -45.996 -30.975 1.00 0.00 O ATOM 0 H SER A 3 20.294 -44.517 -33.692 1.00 0.00 H new ATOM 0 HA SER A 3 19.036 -44.817 -31.885 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.489 -44.084 -30.231 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.086 -44.979 -29.680 1.00 0.00 H new ATOM 0 HG SER A 3 21.852 -46.374 -30.243 1.00 0.00 H new ATOM 30 N GLY A 4 18.828 -42.038 -32.173 1.00 0.00 N ATOM 31 CA GLY A 4 18.288 -40.728 -31.859 1.00 0.00 C ATOM 32 C GLY A 4 16.774 -40.696 -31.919 1.00 0.00 C ATOM 33 O GLY A 4 16.183 -40.917 -32.976 1.00 0.00 O ATOM 0 H GLY A 4 18.774 -42.298 -33.158 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.615 -40.433 -30.862 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.692 -39.995 -32.557 1.00 0.00 H new ATOM 37 N SER A 5 16.144 -40.420 -30.782 1.00 0.00 N ATOM 38 CA SER A 5 14.689 -40.365 -30.708 1.00 0.00 C ATOM 39 C SER A 5 14.235 -39.258 -29.762 1.00 0.00 C ATOM 40 O SER A 5 15.037 -38.696 -29.015 1.00 0.00 O ATOM 41 CB SER A 5 14.129 -41.711 -30.242 1.00 0.00 C ATOM 42 OG SER A 5 12.747 -41.816 -30.534 1.00 0.00 O ATOM 0 H SER A 5 16.619 -40.231 -29.899 1.00 0.00 H new ATOM 0 HA SER A 5 14.307 -40.147 -31.705 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.670 -42.522 -30.730 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.287 -41.823 -29.169 1.00 0.00 H new ATOM 0 HG SER A 5 12.413 -42.685 -30.228 1.00 0.00 H new ATOM 48 N SER A 6 12.942 -38.949 -29.799 1.00 0.00 N ATOM 49 CA SER A 6 12.381 -37.906 -28.949 1.00 0.00 C ATOM 50 C SER A 6 10.917 -38.196 -28.629 1.00 0.00 C ATOM 51 O SER A 6 10.311 -39.099 -29.205 1.00 0.00 O ATOM 52 CB SER A 6 12.505 -36.541 -29.629 1.00 0.00 C ATOM 53 OG SER A 6 13.855 -36.111 -29.664 1.00 0.00 O ATOM 0 H SER A 6 12.264 -39.406 -30.409 1.00 0.00 H new ATOM 0 HA SER A 6 12.944 -37.891 -28.016 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.112 -36.599 -30.644 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.900 -35.808 -29.095 1.00 0.00 H new ATOM 0 HG SER A 6 14.434 -36.824 -29.323 1.00 0.00 H new ATOM 59 N GLY A 7 10.355 -37.422 -27.705 1.00 0.00 N ATOM 60 CA GLY A 7 8.968 -37.610 -27.324 1.00 0.00 C ATOM 61 C GLY A 7 8.614 -36.878 -26.044 1.00 0.00 C ATOM 62 O GLY A 7 8.133 -37.485 -25.086 1.00 0.00 O ATOM 0 H GLY A 7 10.836 -36.668 -27.214 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.322 -37.260 -28.130 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.770 -38.674 -27.197 1.00 0.00 H new ATOM 66 N LEU A 8 8.853 -35.572 -26.027 1.00 0.00 N ATOM 67 CA LEU A 8 8.558 -34.756 -24.854 1.00 0.00 C ATOM 68 C LEU A 8 8.802 -33.278 -25.143 1.00 0.00 C ATOM 69 O LEU A 8 9.946 -32.838 -25.261 1.00 0.00 O ATOM 70 CB LEU A 8 9.414 -35.203 -23.668 1.00 0.00 C ATOM 71 CG LEU A 8 9.014 -34.643 -22.303 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.963 -35.141 -21.223 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.992 -33.122 -22.336 1.00 0.00 C ATOM 0 H LEU A 8 9.250 -35.055 -26.812 1.00 0.00 H new ATOM 0 HA LEU A 8 7.505 -34.890 -24.605 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.385 -36.291 -23.615 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.448 -34.921 -23.865 1.00 0.00 H new ATOM 0 HG LEU A 8 8.010 -34.996 -22.067 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.663 -34.732 -20.258 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.929 -36.230 -21.182 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.978 -34.818 -21.454 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.705 -32.741 -21.356 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.983 -32.749 -22.594 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.272 -32.785 -23.081 1.00 0.00 H new ATOM 85 N LYS A 9 7.720 -32.515 -25.255 1.00 0.00 N ATOM 86 CA LYS A 9 7.815 -31.086 -25.527 1.00 0.00 C ATOM 87 C LYS A 9 6.608 -30.343 -24.963 1.00 0.00 C ATOM 88 O LYS A 9 5.464 -30.743 -25.182 1.00 0.00 O ATOM 89 CB LYS A 9 7.922 -30.839 -27.033 1.00 0.00 C ATOM 90 CG LYS A 9 9.198 -31.385 -27.651 1.00 0.00 C ATOM 91 CD LYS A 9 10.414 -30.583 -27.220 1.00 0.00 C ATOM 92 CE LYS A 9 11.679 -31.428 -27.251 1.00 0.00 C ATOM 93 NZ LYS A 9 12.908 -30.588 -27.204 1.00 0.00 N ATOM 0 H LYS A 9 6.766 -32.863 -25.161 1.00 0.00 H new ATOM 0 HA LYS A 9 8.713 -30.707 -25.038 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.065 -31.294 -27.529 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.867 -29.767 -27.221 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.327 -32.428 -27.360 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.114 -31.365 -28.738 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.534 -29.722 -27.877 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.258 -30.197 -26.213 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.677 -32.116 -26.406 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.688 -32.035 -28.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.748 -31.200 -27.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.923 -29.949 -28.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.912 -30.027 -26.328 1.00 0.00 H new ATOM 107 N ARG A 10 6.871 -29.261 -24.239 1.00 0.00 N ATOM 108 CA ARG A 10 5.806 -28.463 -23.644 1.00 0.00 C ATOM 109 C ARG A 10 6.367 -27.194 -23.007 1.00 0.00 C ATOM 110 O ARG A 10 7.569 -27.092 -22.759 1.00 0.00 O ATOM 111 CB ARG A 10 5.050 -29.281 -22.595 1.00 0.00 C ATOM 112 CG ARG A 10 5.878 -29.603 -21.362 1.00 0.00 C ATOM 113 CD ARG A 10 5.705 -28.547 -20.283 1.00 0.00 C ATOM 114 NE ARG A 10 4.397 -28.632 -19.638 1.00 0.00 N ATOM 115 CZ ARG A 10 4.148 -28.171 -18.418 1.00 0.00 C ATOM 116 NH1 ARG A 10 5.112 -27.594 -17.714 1.00 0.00 N ATOM 117 NH2 ARG A 10 2.932 -28.286 -17.899 1.00 0.00 N ATOM 0 H ARG A 10 7.812 -28.916 -24.050 1.00 0.00 H new ATOM 0 HA ARG A 10 5.116 -28.176 -24.438 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.159 -28.732 -22.291 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.711 -30.213 -23.048 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.585 -30.577 -20.970 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.930 -29.674 -21.638 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.487 -28.664 -19.533 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.829 -27.557 -20.722 1.00 0.00 H new ATOM 0 HE ARG A 10 3.633 -29.070 -20.153 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.048 -27.503 -18.109 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.918 -27.241 -16.777 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.187 -28.729 -18.437 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.742 -27.931 -16.962 1.00 0.00 H new ATOM 131 N ASP A 11 5.490 -26.231 -22.747 1.00 0.00 N ATOM 132 CA ASP A 11 5.898 -24.970 -22.139 1.00 0.00 C ATOM 133 C ASP A 11 5.343 -24.845 -20.723 1.00 0.00 C ATOM 134 O ASP A 11 6.098 -24.807 -19.751 1.00 0.00 O ATOM 135 CB ASP A 11 5.423 -23.792 -22.991 1.00 0.00 C ATOM 136 CG ASP A 11 5.888 -23.895 -24.431 1.00 0.00 C ATOM 137 OD1 ASP A 11 5.325 -24.722 -25.178 1.00 0.00 O ATOM 138 OD2 ASP A 11 6.815 -23.149 -24.810 1.00 0.00 O ATOM 0 H ASP A 11 4.492 -26.299 -22.948 1.00 0.00 H new ATOM 0 HA ASP A 11 6.987 -24.956 -22.086 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.334 -23.745 -22.966 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.792 -22.862 -22.558 1.00 0.00 H new ATOM 143 N PHE A 12 4.020 -24.781 -20.615 1.00 0.00 N ATOM 144 CA PHE A 12 3.365 -24.658 -19.318 1.00 0.00 C ATOM 145 C PHE A 12 1.849 -24.742 -19.465 1.00 0.00 C ATOM 146 O PHE A 12 1.321 -24.729 -20.577 1.00 0.00 O ATOM 147 CB PHE A 12 3.752 -23.337 -18.650 1.00 0.00 C ATOM 148 CG PHE A 12 3.231 -22.126 -19.371 1.00 0.00 C ATOM 149 CD1 PHE A 12 3.731 -21.776 -20.615 1.00 0.00 C ATOM 150 CD2 PHE A 12 2.242 -21.338 -18.804 1.00 0.00 C ATOM 151 CE1 PHE A 12 3.254 -20.663 -21.281 1.00 0.00 C ATOM 152 CE2 PHE A 12 1.761 -20.224 -19.466 1.00 0.00 C ATOM 153 CZ PHE A 12 2.268 -19.886 -20.705 1.00 0.00 C ATOM 0 H PHE A 12 3.381 -24.812 -21.409 1.00 0.00 H new ATOM 0 HA PHE A 12 3.698 -25.485 -18.691 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.374 -23.332 -17.627 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.838 -23.274 -18.589 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.502 -22.380 -21.069 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.843 -21.597 -17.835 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.652 -20.401 -22.250 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.989 -19.618 -19.014 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.894 -19.015 -21.223 1.00 0.00 H new ATOM 163 N ILE A 13 1.155 -24.829 -18.335 1.00 0.00 N ATOM 164 CA ILE A 13 -0.301 -24.914 -18.338 1.00 0.00 C ATOM 165 C ILE A 13 -0.894 -24.222 -17.115 1.00 0.00 C ATOM 166 O ILE A 13 -0.424 -24.411 -15.993 1.00 0.00 O ATOM 167 CB ILE A 13 -0.778 -26.378 -18.367 1.00 0.00 C ATOM 168 CG1 ILE A 13 -0.138 -27.123 -19.540 1.00 0.00 C ATOM 169 CG2 ILE A 13 -2.296 -26.438 -18.459 1.00 0.00 C ATOM 170 CD1 ILE A 13 -0.619 -26.647 -20.893 1.00 0.00 C ATOM 0 H ILE A 13 1.577 -24.842 -17.406 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.646 -24.410 -19.241 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.470 -26.864 -17.441 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.944 -27.007 -19.487 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.349 -28.188 -19.442 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.618 -27.479 -18.479 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.733 -25.939 -17.594 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.625 -25.939 -19.370 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.123 -27.219 -21.677 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.697 -26.789 -20.966 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.383 -25.589 -21.011 1.00 0.00 H new ATOM 182 N ILE A 14 -1.930 -23.421 -17.341 1.00 0.00 N ATOM 183 CA ILE A 14 -2.590 -22.703 -16.257 1.00 0.00 C ATOM 184 C ILE A 14 -3.996 -23.241 -16.018 1.00 0.00 C ATOM 185 O ILE A 14 -4.720 -23.559 -16.962 1.00 0.00 O ATOM 186 CB ILE A 14 -2.673 -21.193 -16.551 1.00 0.00 C ATOM 187 CG1 ILE A 14 -1.271 -20.612 -16.747 1.00 0.00 C ATOM 188 CG2 ILE A 14 -3.398 -20.473 -15.424 1.00 0.00 C ATOM 189 CD1 ILE A 14 -1.270 -19.235 -17.374 1.00 0.00 C ATOM 0 H ILE A 14 -2.330 -23.253 -18.264 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.987 -22.858 -15.362 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.238 -21.047 -17.472 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.768 -20.563 -15.781 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.691 -21.288 -17.374 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.449 -19.407 -15.646 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.408 -20.872 -15.328 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.858 -20.623 -14.489 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.243 -18.886 -17.483 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.743 -19.281 -18.355 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.823 -18.545 -16.737 1.00 0.00 H new ATOM 201 N LEU A 15 -4.378 -23.338 -14.749 1.00 0.00 N ATOM 202 CA LEU A 15 -5.700 -23.835 -14.384 1.00 0.00 C ATOM 203 C LEU A 15 -6.262 -23.066 -13.193 1.00 0.00 C ATOM 204 O LEU A 15 -5.695 -23.092 -12.101 1.00 0.00 O ATOM 205 CB LEU A 15 -5.632 -25.328 -14.056 1.00 0.00 C ATOM 206 CG LEU A 15 -4.955 -26.215 -15.102 1.00 0.00 C ATOM 207 CD1 LEU A 15 -3.462 -26.317 -14.828 1.00 0.00 C ATOM 208 CD2 LEU A 15 -5.592 -27.597 -15.122 1.00 0.00 C ATOM 0 H LEU A 15 -3.791 -23.079 -13.956 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.365 -23.686 -15.235 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.104 -25.448 -13.110 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.648 -25.692 -13.902 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.093 -25.760 -16.083 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.996 -26.952 -15.582 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.017 -25.323 -14.865 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.302 -26.749 -13.840 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.098 -28.215 -15.872 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.485 -28.061 -14.142 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.650 -27.506 -15.367 1.00 0.00 H new ATOM 220 N GLY A 16 -7.381 -22.382 -13.410 1.00 0.00 N ATOM 221 CA GLY A 16 -8.002 -21.617 -12.345 1.00 0.00 C ATOM 222 C GLY A 16 -8.518 -20.274 -12.821 1.00 0.00 C ATOM 223 O GLY A 16 -7.820 -19.265 -12.725 1.00 0.00 O ATOM 0 H GLY A 16 -7.869 -22.344 -14.305 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.827 -22.191 -11.923 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.279 -21.462 -11.544 1.00 0.00 H new ATOM 227 N ASN A 17 -9.743 -20.260 -13.336 1.00 0.00 N ATOM 228 CA ASN A 17 -10.350 -19.030 -13.831 1.00 0.00 C ATOM 229 C ASN A 17 -11.871 -19.089 -13.714 1.00 0.00 C ATOM 230 O ASN A 17 -12.531 -19.839 -14.432 1.00 0.00 O ATOM 231 CB ASN A 17 -9.949 -18.789 -15.288 1.00 0.00 C ATOM 232 CG ASN A 17 -10.345 -19.939 -16.195 1.00 0.00 C ATOM 233 OD1 ASN A 17 -11.365 -19.880 -16.881 1.00 0.00 O ATOM 234 ND2 ASN A 17 -9.536 -20.992 -16.200 1.00 0.00 N ATOM 0 H ASN A 17 -10.335 -21.086 -13.421 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.987 -18.204 -13.220 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.417 -17.871 -15.644 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.871 -18.639 -15.345 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.750 -21.797 -16.790 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.701 -20.996 -15.614 1.00 0.00 H new ATOM 241 N GLY A 18 -12.420 -18.291 -12.802 1.00 0.00 N ATOM 242 CA GLY A 18 -13.857 -18.267 -12.608 1.00 0.00 C ATOM 243 C GLY A 18 -14.329 -16.997 -11.929 1.00 0.00 C ATOM 244 O GLY A 18 -13.554 -16.070 -11.692 1.00 0.00 O ATOM 0 H GLY A 18 -11.895 -17.662 -12.195 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.353 -18.365 -13.574 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -14.154 -19.128 -12.009 1.00 0.00 H new ATOM 248 N PRO A 19 -15.630 -16.941 -11.607 1.00 0.00 N ATOM 249 CA PRO A 19 -16.234 -15.779 -10.948 1.00 0.00 C ATOM 250 C PRO A 19 -15.769 -15.625 -9.504 1.00 0.00 C ATOM 251 O PRO A 19 -14.978 -16.427 -9.008 1.00 0.00 O ATOM 252 CB PRO A 19 -17.733 -16.082 -10.997 1.00 0.00 C ATOM 253 CG PRO A 19 -17.817 -17.568 -11.076 1.00 0.00 C ATOM 254 CD PRO A 19 -16.612 -18.009 -11.860 1.00 0.00 C ATOM 0 HA PRO A 19 -15.958 -14.845 -11.437 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -18.243 -15.703 -10.111 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.204 -15.612 -11.861 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.819 -18.012 -10.081 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.738 -17.881 -11.567 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.246 -18.979 -11.523 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.837 -18.105 -12.922 1.00 0.00 H new ATOM 262 N ARG A 20 -16.264 -14.589 -8.835 1.00 0.00 N ATOM 263 CA ARG A 20 -15.899 -14.329 -7.448 1.00 0.00 C ATOM 264 C ARG A 20 -17.140 -14.254 -6.563 1.00 0.00 C ATOM 265 O ARG A 20 -18.011 -13.407 -6.768 1.00 0.00 O ATOM 266 CB ARG A 20 -15.104 -13.026 -7.343 1.00 0.00 C ATOM 267 CG ARG A 20 -13.602 -13.216 -7.474 1.00 0.00 C ATOM 268 CD ARG A 20 -13.240 -13.909 -8.778 1.00 0.00 C ATOM 269 NE ARG A 20 -11.909 -13.531 -9.247 1.00 0.00 N ATOM 270 CZ ARG A 20 -10.791 -14.120 -8.838 1.00 0.00 C ATOM 271 NH1 ARG A 20 -10.843 -15.109 -7.956 1.00 0.00 N ATOM 272 NH2 ARG A 20 -9.618 -13.720 -9.311 1.00 0.00 N ATOM 0 H ARG A 20 -16.919 -13.916 -9.232 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.277 -15.155 -7.102 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.444 -12.340 -8.119 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.320 -12.555 -6.384 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.106 -12.247 -7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.234 -13.804 -6.634 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.282 -14.989 -8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.978 -13.657 -9.540 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.834 -12.773 -9.926 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.743 -15.419 -7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.983 -15.560 -7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.574 -12.960 -9.989 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.760 -14.173 -8.996 1.00 0.00 H new ATOM 286 N LEU A 21 -17.214 -15.144 -5.580 1.00 0.00 N ATOM 287 CA LEU A 21 -18.349 -15.179 -4.664 1.00 0.00 C ATOM 288 C LEU A 21 -18.142 -14.210 -3.504 1.00 0.00 C ATOM 289 O LEU A 21 -19.104 -13.730 -2.906 1.00 0.00 O ATOM 290 CB LEU A 21 -18.553 -16.597 -4.129 1.00 0.00 C ATOM 291 CG LEU A 21 -17.300 -17.468 -4.038 1.00 0.00 C ATOM 292 CD1 LEU A 21 -16.231 -16.780 -3.203 1.00 0.00 C ATOM 293 CD2 LEU A 21 -17.639 -18.832 -3.455 1.00 0.00 C ATOM 0 H LEU A 21 -16.502 -15.851 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 21 -19.239 -14.873 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -18.996 -16.528 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -19.277 -17.103 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.908 -17.613 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.347 -17.415 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.967 -15.828 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.612 -16.604 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.735 -19.438 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -18.056 -18.707 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -18.369 -19.329 -4.093 1.00 0.00 H new ATOM 305 N GLN A 22 -16.881 -13.927 -3.194 1.00 0.00 N ATOM 306 CA GLN A 22 -16.549 -13.014 -2.106 1.00 0.00 C ATOM 307 C GLN A 22 -15.070 -12.645 -2.138 1.00 0.00 C ATOM 308 O GLN A 22 -14.205 -13.515 -2.226 1.00 0.00 O ATOM 309 CB GLN A 22 -16.901 -13.644 -0.758 1.00 0.00 C ATOM 310 CG GLN A 22 -17.000 -12.637 0.377 1.00 0.00 C ATOM 311 CD GLN A 22 -18.043 -11.568 0.118 1.00 0.00 C ATOM 312 OE1 GLN A 22 -19.230 -11.863 -0.020 1.00 0.00 O ATOM 313 NE2 GLN A 22 -17.604 -10.316 0.052 1.00 0.00 N ATOM 0 H GLN A 22 -16.073 -14.316 -3.680 1.00 0.00 H new ATOM 0 HA GLN A 22 -17.135 -12.104 -2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -17.851 -14.170 -0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.146 -14.389 -0.507 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -17.243 -13.160 1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.029 -12.164 0.524 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.611 -10.117 0.172 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -18.260 -9.554 -0.119 1.00 0.00 H new ATOM 322 N ASN A 23 -14.787 -11.348 -2.066 1.00 0.00 N ATOM 323 CA ASN A 23 -13.412 -10.863 -2.087 1.00 0.00 C ATOM 324 C ASN A 23 -13.053 -10.185 -0.769 1.00 0.00 C ATOM 325 O ASN A 23 -12.175 -10.646 -0.040 1.00 0.00 O ATOM 326 CB ASN A 23 -13.211 -9.886 -3.248 1.00 0.00 C ATOM 327 CG ASN A 23 -13.809 -10.398 -4.544 1.00 0.00 C ATOM 328 OD1 ASN A 23 -13.188 -11.184 -5.259 1.00 0.00 O ATOM 329 ND2 ASN A 23 -15.021 -9.952 -4.853 1.00 0.00 N ATOM 0 H ASN A 23 -15.492 -10.614 -1.993 1.00 0.00 H new ATOM 0 HA ASN A 23 -12.753 -11.721 -2.224 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.664 -8.928 -2.995 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.145 -9.707 -3.388 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.474 -10.261 -5.713 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.499 -9.301 -4.230 1.00 0.00 H new ATOM 336 N SER A 24 -13.740 -9.087 -0.469 1.00 0.00 N ATOM 337 CA SER A 24 -13.493 -8.343 0.761 1.00 0.00 C ATOM 338 C SER A 24 -12.015 -8.392 1.138 1.00 0.00 C ATOM 339 O SER A 24 -11.665 -8.541 2.309 1.00 0.00 O ATOM 340 CB SER A 24 -14.341 -8.905 1.902 1.00 0.00 C ATOM 341 OG SER A 24 -15.720 -8.875 1.576 1.00 0.00 O ATOM 0 H SER A 24 -14.472 -8.693 -1.061 1.00 0.00 H new ATOM 0 HA SER A 24 -13.772 -7.303 0.589 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.037 -9.930 2.115 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.166 -8.326 2.809 1.00 0.00 H new ATOM 0 HG SER A 24 -16.240 -9.241 2.321 1.00 0.00 H new ATOM 347 N THR A 25 -11.151 -8.267 0.136 1.00 0.00 N ATOM 348 CA THR A 25 -9.711 -8.298 0.360 1.00 0.00 C ATOM 349 C THR A 25 -9.274 -7.171 1.288 1.00 0.00 C ATOM 350 O THR A 25 -9.786 -6.054 1.207 1.00 0.00 O ATOM 351 CB THR A 25 -8.933 -8.188 -0.965 1.00 0.00 C ATOM 352 OG1 THR A 25 -9.452 -7.107 -1.749 1.00 0.00 O ATOM 353 CG2 THR A 25 -9.025 -9.484 -1.756 1.00 0.00 C ATOM 0 H THR A 25 -11.423 -8.143 -0.839 1.00 0.00 H new ATOM 0 HA THR A 25 -9.485 -9.257 0.826 1.00 0.00 H new ATOM 0 HB THR A 25 -7.886 -7.997 -0.731 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.951 -7.042 -2.589 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.468 -9.382 -2.687 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.603 -10.300 -1.168 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.070 -9.700 -1.980 1.00 0.00 H new ATOM 361 N TYR A 26 -8.325 -7.469 2.168 1.00 0.00 N ATOM 362 CA TYR A 26 -7.821 -6.480 3.113 1.00 0.00 C ATOM 363 C TYR A 26 -6.658 -5.696 2.512 1.00 0.00 C ATOM 364 O TYR A 26 -5.592 -6.252 2.249 1.00 0.00 O ATOM 365 CB TYR A 26 -7.375 -7.162 4.408 1.00 0.00 C ATOM 366 CG TYR A 26 -8.518 -7.496 5.340 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.690 -8.066 4.858 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.427 -7.240 6.703 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.737 -8.373 5.706 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.468 -7.545 7.558 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.621 -8.110 7.055 1.00 0.00 C ATOM 372 OH TYR A 26 -11.661 -8.414 7.903 1.00 0.00 O ATOM 0 H TYR A 26 -7.889 -8.388 2.247 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.629 -5.783 3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.839 -8.078 4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.671 -6.512 4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.784 -8.273 3.802 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.527 -6.795 7.100 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.641 -8.816 5.315 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.379 -7.342 8.615 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.155 -9.184 7.552 1.00 0.00 H new ATOM 382 N GLN A 27 -6.873 -4.402 2.299 1.00 0.00 N ATOM 383 CA GLN A 27 -5.843 -3.541 1.730 1.00 0.00 C ATOM 384 C GLN A 27 -4.945 -2.970 2.822 1.00 0.00 C ATOM 385 O GLN A 27 -5.407 -2.250 3.708 1.00 0.00 O ATOM 386 CB GLN A 27 -6.484 -2.403 0.933 1.00 0.00 C ATOM 387 CG GLN A 27 -5.492 -1.344 0.480 1.00 0.00 C ATOM 388 CD GLN A 27 -4.889 -1.653 -0.877 1.00 0.00 C ATOM 389 OE1 GLN A 27 -5.396 -1.213 -1.909 1.00 0.00 O ATOM 390 NE2 GLN A 27 -3.799 -2.412 -0.881 1.00 0.00 N ATOM 0 H GLN A 27 -7.750 -3.927 2.512 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.230 -4.144 1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.983 -2.819 0.058 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.253 -1.931 1.544 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.992 -0.376 0.440 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.694 -1.260 1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.413 -2.755 -0.001 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.348 -2.652 -1.764 1.00 0.00 H new ATOM 399 N CYS A 28 -3.659 -3.297 2.754 1.00 0.00 N ATOM 400 CA CYS A 28 -2.695 -2.818 3.737 1.00 0.00 C ATOM 401 C CYS A 28 -2.385 -1.339 3.521 1.00 0.00 C ATOM 402 O CYS A 28 -2.618 -0.796 2.440 1.00 0.00 O ATOM 403 CB CYS A 28 -1.405 -3.637 3.659 1.00 0.00 C ATOM 404 SG CYS A 28 -0.308 -3.436 5.099 1.00 0.00 S ATOM 0 H CYS A 28 -3.260 -3.892 2.028 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.135 -2.938 4.727 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.662 -4.691 3.556 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.861 -3.352 2.759 1.00 0.00 H new ATOM 409 N LYS A 29 -1.859 -0.693 4.555 1.00 0.00 N ATOM 410 CA LYS A 29 -1.515 0.722 4.480 1.00 0.00 C ATOM 411 C LYS A 29 -0.005 0.920 4.554 1.00 0.00 C ATOM 412 O LYS A 29 0.499 2.022 4.332 1.00 0.00 O ATOM 413 CB LYS A 29 -2.198 1.495 5.611 1.00 0.00 C ATOM 414 CG LYS A 29 -1.541 1.295 6.966 1.00 0.00 C ATOM 415 CD LYS A 29 -1.829 -0.087 7.527 1.00 0.00 C ATOM 416 CE LYS A 29 -1.856 -0.077 9.047 1.00 0.00 C ATOM 417 NZ LYS A 29 -3.191 0.319 9.575 1.00 0.00 N ATOM 0 H LYS A 29 -1.661 -1.127 5.457 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.867 1.105 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.194 2.558 5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.241 1.186 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.464 1.434 6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.901 2.053 7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.787 -0.442 7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.069 -0.787 7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.596 -1.067 9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.099 0.613 9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.169 0.314 10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.428 1.274 9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.910 -0.354 9.241 1.00 0.00 H new ATOM 431 N HIS A 30 0.714 -0.154 4.866 1.00 0.00 N ATOM 432 CA HIS A 30 2.168 -0.098 4.967 1.00 0.00 C ATOM 433 C HIS A 30 2.817 -0.374 3.614 1.00 0.00 C ATOM 434 O HIS A 30 3.722 0.347 3.190 1.00 0.00 O ATOM 435 CB HIS A 30 2.667 -1.108 6.000 1.00 0.00 C ATOM 436 CG HIS A 30 2.277 -0.770 7.406 1.00 0.00 C ATOM 437 ND1 HIS A 30 2.608 0.423 8.012 1.00 0.00 N ATOM 438 CD2 HIS A 30 1.577 -1.476 8.325 1.00 0.00 C ATOM 439 CE1 HIS A 30 2.131 0.436 9.244 1.00 0.00 C ATOM 440 NE2 HIS A 30 1.501 -0.704 9.459 1.00 0.00 N ATOM 0 H HIS A 30 0.313 -1.073 5.053 1.00 0.00 H new ATOM 0 HA HIS A 30 2.448 0.906 5.287 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.275 -2.094 5.750 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.753 -1.171 5.938 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.157 -2.462 8.192 1.00 0.00 H new ATOM 0 HE1 HIS A 30 2.238 1.242 9.954 1.00 0.00 H new ATOM 0 HE2 HIS A 30 1.034 -0.969 10.326 1.00 0.00 H new ATOM 448 N CYS A 31 2.351 -1.420 2.941 1.00 0.00 N ATOM 449 CA CYS A 31 2.887 -1.792 1.637 1.00 0.00 C ATOM 450 C CYS A 31 1.816 -1.677 0.556 1.00 0.00 C ATOM 451 O CYS A 31 2.116 -1.722 -0.637 1.00 0.00 O ATOM 452 CB CYS A 31 3.436 -3.219 1.676 1.00 0.00 C ATOM 453 SG CYS A 31 2.211 -4.475 2.168 1.00 0.00 S ATOM 0 H CYS A 31 1.603 -2.026 3.277 1.00 0.00 H new ATOM 0 HA CYS A 31 3.698 -1.104 1.396 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.826 -3.474 0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.276 -3.255 2.370 1.00 0.00 H new ATOM 458 N ASP A 32 0.567 -1.529 0.983 1.00 0.00 N ATOM 459 CA ASP A 32 -0.550 -1.406 0.052 1.00 0.00 C ATOM 460 C ASP A 32 -0.771 -2.711 -0.706 1.00 0.00 C ATOM 461 O ASP A 32 -1.015 -2.705 -1.913 1.00 0.00 O ATOM 462 CB ASP A 32 -0.296 -0.265 -0.934 1.00 0.00 C ATOM 463 CG ASP A 32 -1.509 0.041 -1.790 1.00 0.00 C ATOM 464 OD1 ASP A 32 -2.374 0.819 -1.336 1.00 0.00 O ATOM 465 OD2 ASP A 32 -1.595 -0.498 -2.913 1.00 0.00 O ATOM 0 H ASP A 32 0.302 -1.491 1.967 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.449 -1.185 0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.009 0.630 -0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.543 -0.526 -1.578 1.00 0.00 H new ATOM 470 N SER A 33 -0.682 -3.828 0.009 1.00 0.00 N ATOM 471 CA SER A 33 -0.867 -5.141 -0.598 1.00 0.00 C ATOM 472 C SER A 33 -2.331 -5.566 -0.536 1.00 0.00 C ATOM 473 O SER A 33 -3.197 -4.796 -0.120 1.00 0.00 O ATOM 474 CB SER A 33 0.007 -6.180 0.106 1.00 0.00 C ATOM 475 OG SER A 33 0.130 -7.356 -0.674 1.00 0.00 O ATOM 0 H SER A 33 -0.483 -3.850 1.009 1.00 0.00 H new ATOM 0 HA SER A 33 -0.569 -5.075 -1.644 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.995 -5.760 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.426 -6.427 1.076 1.00 0.00 H new ATOM 0 HG SER A 33 0.695 -8.004 -0.203 1.00 0.00 H new ATOM 481 N LYS A 34 -2.601 -6.798 -0.954 1.00 0.00 N ATOM 482 CA LYS A 34 -3.959 -7.329 -0.946 1.00 0.00 C ATOM 483 C LYS A 34 -4.006 -8.692 -0.262 1.00 0.00 C ATOM 484 O LYS A 34 -3.288 -9.616 -0.646 1.00 0.00 O ATOM 485 CB LYS A 34 -4.491 -7.446 -2.376 1.00 0.00 C ATOM 486 CG LYS A 34 -5.201 -6.195 -2.865 1.00 0.00 C ATOM 487 CD LYS A 34 -6.064 -6.483 -4.082 1.00 0.00 C ATOM 488 CE LYS A 34 -5.223 -6.630 -5.340 1.00 0.00 C ATOM 489 NZ LYS A 34 -4.586 -5.343 -5.735 1.00 0.00 N ATOM 0 H LYS A 34 -1.897 -7.448 -1.303 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.589 -6.639 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.661 -7.668 -3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.179 -8.289 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.822 -5.792 -2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.464 -5.431 -3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.635 -7.396 -3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.785 -5.677 -4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.451 -7.382 -5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.850 -6.990 -6.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.299 -5.390 -6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.265 -4.566 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.749 -5.174 -5.142 1.00 0.00 H new ATOM 503 N LEU A 35 -4.857 -8.811 0.751 1.00 0.00 N ATOM 504 CA LEU A 35 -4.999 -10.062 1.488 1.00 0.00 C ATOM 505 C LEU A 35 -6.446 -10.544 1.468 1.00 0.00 C ATOM 506 O LEU A 35 -7.366 -9.766 1.213 1.00 0.00 O ATOM 507 CB LEU A 35 -4.530 -9.882 2.933 1.00 0.00 C ATOM 508 CG LEU A 35 -3.017 -9.830 3.145 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.399 -8.715 2.315 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.691 -9.643 4.620 1.00 0.00 C ATOM 0 H LEU A 35 -5.459 -8.057 1.081 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.378 -10.814 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.963 -8.961 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.933 -10.701 3.529 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.591 -10.778 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.322 -8.694 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.602 -8.892 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.830 -7.759 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.610 -9.608 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.130 -8.710 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.100 -10.476 5.191 1.00 0.00 H new ATOM 522 N GLN A 36 -6.640 -11.830 1.740 1.00 0.00 N ATOM 523 CA GLN A 36 -7.975 -12.415 1.754 1.00 0.00 C ATOM 524 C GLN A 36 -8.840 -11.773 2.834 1.00 0.00 C ATOM 525 O GLN A 36 -9.886 -11.194 2.542 1.00 0.00 O ATOM 526 CB GLN A 36 -7.891 -13.925 1.983 1.00 0.00 C ATOM 527 CG GLN A 36 -7.593 -14.717 0.720 1.00 0.00 C ATOM 528 CD GLN A 36 -6.107 -14.910 0.489 1.00 0.00 C ATOM 529 OE1 GLN A 36 -5.292 -14.078 0.888 1.00 0.00 O ATOM 530 NE2 GLN A 36 -5.747 -16.013 -0.157 1.00 0.00 N ATOM 0 H GLN A 36 -5.889 -12.487 1.954 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.436 -12.226 0.785 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.116 -14.129 2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.833 -14.273 2.406 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.076 -15.692 0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.026 -14.202 -0.138 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.457 -16.675 -0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.761 -16.198 -0.340 1.00 0.00 H new ATOM 539 N SER A 37 -8.395 -11.879 4.082 1.00 0.00 N ATOM 540 CA SER A 37 -9.130 -11.312 5.206 1.00 0.00 C ATOM 541 C SER A 37 -8.185 -10.961 6.352 1.00 0.00 C ATOM 542 O SER A 37 -6.984 -11.223 6.284 1.00 0.00 O ATOM 543 CB SER A 37 -10.197 -12.294 5.693 1.00 0.00 C ATOM 544 OG SER A 37 -11.112 -12.607 4.657 1.00 0.00 O ATOM 0 H SER A 37 -7.529 -12.352 4.340 1.00 0.00 H new ATOM 0 HA SER A 37 -9.616 -10.398 4.866 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.720 -13.207 6.050 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.733 -11.863 6.539 1.00 0.00 H new ATOM 0 HG SER A 37 -11.783 -13.237 4.993 1.00 0.00 H new ATOM 550 N THR A 38 -8.737 -10.366 7.405 1.00 0.00 N ATOM 551 CA THR A 38 -7.945 -9.978 8.565 1.00 0.00 C ATOM 552 C THR A 38 -7.026 -11.110 9.007 1.00 0.00 C ATOM 553 O THR A 38 -5.887 -10.877 9.409 1.00 0.00 O ATOM 554 CB THR A 38 -8.844 -9.570 9.747 1.00 0.00 C ATOM 555 OG1 THR A 38 -8.186 -8.578 10.544 1.00 0.00 O ATOM 556 CG2 THR A 38 -9.185 -10.776 10.609 1.00 0.00 C ATOM 0 H THR A 38 -9.730 -10.142 7.478 1.00 0.00 H new ATOM 0 HA THR A 38 -7.342 -9.121 8.264 1.00 0.00 H new ATOM 0 HB THR A 38 -9.769 -9.157 9.345 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.765 -8.323 11.292 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.821 -10.463 11.437 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.712 -11.516 10.007 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.267 -11.214 11.001 1.00 0.00 H new ATOM 564 N ALA A 39 -7.529 -12.338 8.930 1.00 0.00 N ATOM 565 CA ALA A 39 -6.751 -13.508 9.320 1.00 0.00 C ATOM 566 C ALA A 39 -5.378 -13.501 8.656 1.00 0.00 C ATOM 567 O ALA A 39 -4.378 -13.860 9.276 1.00 0.00 O ATOM 568 CB ALA A 39 -7.503 -14.783 8.969 1.00 0.00 C ATOM 0 H ALA A 39 -8.471 -12.548 8.601 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.603 -13.472 10.399 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.910 -15.648 9.266 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.457 -14.799 9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.681 -14.816 7.894 1.00 0.00 H new ATOM 574 N GLU A 40 -5.339 -13.090 7.392 1.00 0.00 N ATOM 575 CA GLU A 40 -4.088 -13.039 6.645 1.00 0.00 C ATOM 576 C GLU A 40 -3.249 -11.838 7.071 1.00 0.00 C ATOM 577 O GLU A 40 -2.025 -11.929 7.180 1.00 0.00 O ATOM 578 CB GLU A 40 -4.369 -12.971 5.142 1.00 0.00 C ATOM 579 CG GLU A 40 -4.686 -14.321 4.521 1.00 0.00 C ATOM 580 CD GLU A 40 -3.639 -15.370 4.840 1.00 0.00 C ATOM 581 OE1 GLU A 40 -3.758 -16.023 5.898 1.00 0.00 O ATOM 582 OE2 GLU A 40 -2.701 -15.538 4.032 1.00 0.00 O ATOM 0 H GLU A 40 -6.158 -12.788 6.865 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.527 -13.948 6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.206 -12.295 4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.503 -12.543 4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.657 -14.662 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.766 -14.210 3.440 1.00 0.00 H new ATOM 589 N LEU A 41 -3.914 -10.714 7.311 1.00 0.00 N ATOM 590 CA LEU A 41 -3.231 -9.493 7.725 1.00 0.00 C ATOM 591 C LEU A 41 -2.498 -9.702 9.047 1.00 0.00 C ATOM 592 O LEU A 41 -1.376 -9.227 9.229 1.00 0.00 O ATOM 593 CB LEU A 41 -4.232 -8.345 7.860 1.00 0.00 C ATOM 594 CG LEU A 41 -3.659 -6.935 7.714 1.00 0.00 C ATOM 595 CD1 LEU A 41 -3.023 -6.755 6.345 1.00 0.00 C ATOM 596 CD2 LEU A 41 -4.745 -5.892 7.941 1.00 0.00 C ATOM 0 H LEU A 41 -4.926 -10.622 7.226 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.498 -9.238 6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.011 -8.479 7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.713 -8.421 8.835 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.887 -6.798 8.471 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.621 -5.745 6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.217 -7.478 6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.774 -6.912 5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.319 -4.894 7.833 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.540 -6.029 7.208 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.154 -6.005 8.945 1.00 0.00 H new ATOM 608 N THR A 42 -3.139 -10.416 9.967 1.00 0.00 N ATOM 609 CA THR A 42 -2.548 -10.689 11.271 1.00 0.00 C ATOM 610 C THR A 42 -1.162 -11.306 11.129 1.00 0.00 C ATOM 611 O THR A 42 -0.264 -11.030 11.925 1.00 0.00 O ATOM 612 CB THR A 42 -3.436 -11.633 12.103 1.00 0.00 C ATOM 613 OG1 THR A 42 -4.751 -11.083 12.231 1.00 0.00 O ATOM 614 CG2 THR A 42 -2.839 -11.860 13.484 1.00 0.00 C ATOM 0 H THR A 42 -4.068 -10.816 9.833 1.00 0.00 H new ATOM 0 HA THR A 42 -2.464 -9.732 11.787 1.00 0.00 H new ATOM 0 HB THR A 42 -3.493 -12.591 11.587 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.216 -11.144 11.371 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.483 -12.530 14.053 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.850 -12.307 13.384 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.756 -10.907 14.006 1.00 0.00 H new ATOM 622 N SER A 43 -0.993 -12.143 10.109 1.00 0.00 N ATOM 623 CA SER A 43 0.284 -12.802 9.864 1.00 0.00 C ATOM 624 C SER A 43 1.184 -11.935 8.989 1.00 0.00 C ATOM 625 O SER A 43 2.382 -11.808 9.243 1.00 0.00 O ATOM 626 CB SER A 43 0.061 -14.161 9.198 1.00 0.00 C ATOM 627 OG SER A 43 -0.490 -15.093 10.113 1.00 0.00 O ATOM 0 H SER A 43 -1.725 -12.380 9.439 1.00 0.00 H new ATOM 0 HA SER A 43 0.777 -12.953 10.824 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.607 -14.046 8.345 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.007 -14.541 8.813 1.00 0.00 H new ATOM 0 HG SER A 43 -0.625 -15.953 9.663 1.00 0.00 H new ATOM 633 N HIS A 44 0.597 -11.340 7.955 1.00 0.00 N ATOM 634 CA HIS A 44 1.345 -10.484 7.040 1.00 0.00 C ATOM 635 C HIS A 44 1.978 -9.314 7.787 1.00 0.00 C ATOM 636 O HIS A 44 3.192 -9.114 7.733 1.00 0.00 O ATOM 637 CB HIS A 44 0.428 -9.962 5.933 1.00 0.00 C ATOM 638 CG HIS A 44 0.990 -8.785 5.197 1.00 0.00 C ATOM 639 ND1 HIS A 44 1.903 -8.905 4.170 1.00 0.00 N ATOM 640 CD2 HIS A 44 0.762 -7.459 5.342 1.00 0.00 C ATOM 641 CE1 HIS A 44 2.213 -7.704 3.717 1.00 0.00 C ATOM 642 NE2 HIS A 44 1.533 -6.808 4.411 1.00 0.00 N ATOM 0 H HIS A 44 -0.393 -11.435 7.730 1.00 0.00 H new ATOM 0 HA HIS A 44 2.141 -11.079 6.592 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.235 -10.766 5.223 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.532 -9.684 6.368 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.280 -9.784 3.816 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.097 -6.998 6.057 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.905 -7.490 2.916 1.00 0.00 H new ATOM 650 N LEU A 45 1.149 -8.544 8.482 1.00 0.00 N ATOM 651 CA LEU A 45 1.628 -7.393 9.239 1.00 0.00 C ATOM 652 C LEU A 45 2.873 -7.750 10.044 1.00 0.00 C ATOM 653 O LEU A 45 3.871 -7.031 10.015 1.00 0.00 O ATOM 654 CB LEU A 45 0.531 -6.881 10.175 1.00 0.00 C ATOM 655 CG LEU A 45 -0.459 -5.887 9.568 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.649 -5.686 10.494 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.226 -4.559 9.280 1.00 0.00 C ATOM 0 H LEU A 45 0.142 -8.696 8.537 1.00 0.00 H new ATOM 0 HA LEU A 45 1.889 -6.607 8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.029 -7.738 10.549 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.006 -6.410 11.036 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.823 -6.296 8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.343 -4.975 10.045 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.155 -6.639 10.648 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.303 -5.299 11.453 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.494 -3.864 8.848 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.620 -4.144 10.208 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.044 -4.717 8.577 1.00 0.00 H new ATOM 669 N ASN A 46 2.808 -8.867 10.761 1.00 0.00 N ATOM 670 CA ASN A 46 3.931 -9.322 11.573 1.00 0.00 C ATOM 671 C ASN A 46 5.254 -9.092 10.849 1.00 0.00 C ATOM 672 O ASN A 46 6.238 -8.664 11.453 1.00 0.00 O ATOM 673 CB ASN A 46 3.774 -10.805 11.913 1.00 0.00 C ATOM 674 CG ASN A 46 2.586 -11.068 12.819 1.00 0.00 C ATOM 675 OD1 ASN A 46 2.231 -10.235 13.653 1.00 0.00 O ATOM 676 ND2 ASN A 46 1.966 -12.231 12.659 1.00 0.00 N ATOM 0 H ASN A 46 1.989 -9.474 10.796 1.00 0.00 H new ATOM 0 HA ASN A 46 3.937 -8.743 12.497 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.658 -11.376 10.992 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.683 -11.162 12.397 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.161 -12.464 13.240 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.295 -12.892 11.955 1.00 0.00 H new ATOM 683 N ILE A 47 5.269 -9.378 9.551 1.00 0.00 N ATOM 684 CA ILE A 47 6.470 -9.201 8.745 1.00 0.00 C ATOM 685 C ILE A 47 7.048 -7.800 8.919 1.00 0.00 C ATOM 686 O ILE A 47 8.245 -7.636 9.157 1.00 0.00 O ATOM 687 CB ILE A 47 6.186 -9.444 7.251 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.687 -10.874 7.031 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.436 -9.180 6.424 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.838 -11.033 5.789 1.00 0.00 C ATOM 0 H ILE A 47 4.463 -9.733 9.036 1.00 0.00 H new ATOM 0 HA ILE A 47 7.195 -9.937 9.094 1.00 0.00 H new ATOM 0 HB ILE A 47 5.408 -8.753 6.927 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.545 -11.543 6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.107 -11.186 7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.219 -9.356 5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.752 -8.146 6.562 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.234 -9.849 6.747 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.520 -12.071 5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.961 -10.390 5.863 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.421 -10.753 4.912 1.00 0.00 H new ATOM 702 N HIS A 48 6.189 -6.793 8.801 1.00 0.00 N ATOM 703 CA HIS A 48 6.613 -5.405 8.949 1.00 0.00 C ATOM 704 C HIS A 48 7.345 -5.198 10.271 1.00 0.00 C ATOM 705 O HIS A 48 8.413 -4.589 10.312 1.00 0.00 O ATOM 706 CB HIS A 48 5.406 -4.469 8.868 1.00 0.00 C ATOM 707 CG HIS A 48 4.836 -4.345 7.489 1.00 0.00 C ATOM 708 ND1 HIS A 48 5.600 -4.454 6.346 1.00 0.00 N ATOM 709 CD2 HIS A 48 3.568 -4.120 7.072 1.00 0.00 C ATOM 710 CE1 HIS A 48 4.826 -4.301 5.286 1.00 0.00 C ATOM 711 NE2 HIS A 48 3.588 -4.097 5.699 1.00 0.00 N ATOM 0 H HIS A 48 5.195 -6.912 8.603 1.00 0.00 H new ATOM 0 HA HIS A 48 7.299 -5.172 8.135 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.630 -4.831 9.542 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.699 -3.480 9.221 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.605 -4.626 6.323 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.701 -3.984 7.702 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.151 -4.337 4.257 1.00 0.00 H new ATOM 719 N ASN A 49 6.762 -5.708 11.351 1.00 0.00 N ATOM 720 CA ASN A 49 7.358 -5.578 12.675 1.00 0.00 C ATOM 721 C ASN A 49 8.752 -6.198 12.708 1.00 0.00 C ATOM 722 O ASN A 49 9.748 -5.498 12.885 1.00 0.00 O ATOM 723 CB ASN A 49 6.467 -6.244 13.726 1.00 0.00 C ATOM 724 CG ASN A 49 5.032 -5.757 13.660 1.00 0.00 C ATOM 725 OD1 ASN A 49 4.570 -5.292 12.618 1.00 0.00 O ATOM 726 ND2 ASN A 49 4.320 -5.860 14.776 1.00 0.00 N ATOM 0 H ASN A 49 5.877 -6.215 11.335 1.00 0.00 H new ATOM 0 HA ASN A 49 7.447 -4.516 12.903 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.488 -7.325 13.584 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.870 -6.045 14.719 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.349 -5.547 14.792 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.744 -6.252 15.617 1.00 0.00 H new ATOM 733 N GLU A 50 8.812 -7.515 12.536 1.00 0.00 N ATOM 734 CA GLU A 50 10.084 -8.228 12.545 1.00 0.00 C ATOM 735 C GLU A 50 11.129 -7.488 11.716 1.00 0.00 C ATOM 736 O GLU A 50 12.202 -7.147 12.213 1.00 0.00 O ATOM 737 CB GLU A 50 9.901 -9.648 12.006 1.00 0.00 C ATOM 738 CG GLU A 50 9.454 -10.647 13.061 1.00 0.00 C ATOM 739 CD GLU A 50 10.500 -10.868 14.136 1.00 0.00 C ATOM 740 OE1 GLU A 50 10.571 -10.043 15.072 1.00 0.00 O ATOM 741 OE2 GLU A 50 11.247 -11.864 14.043 1.00 0.00 O ATOM 0 H GLU A 50 7.996 -8.109 12.389 1.00 0.00 H new ATOM 0 HA GLU A 50 10.435 -8.280 13.576 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.167 -9.630 11.201 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.842 -9.987 11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.532 -10.293 13.523 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.225 -11.599 12.581 1.00 0.00 H new ATOM 748 N GLU A 51 10.807 -7.244 10.450 1.00 0.00 N ATOM 749 CA GLU A 51 11.719 -6.546 9.551 1.00 0.00 C ATOM 750 C GLU A 51 12.139 -5.202 10.139 1.00 0.00 C ATOM 751 O GLU A 51 13.314 -4.834 10.099 1.00 0.00 O ATOM 752 CB GLU A 51 11.063 -6.335 8.185 1.00 0.00 C ATOM 753 CG GLU A 51 11.072 -7.576 7.308 1.00 0.00 C ATOM 754 CD GLU A 51 12.335 -7.693 6.477 1.00 0.00 C ATOM 755 OE1 GLU A 51 13.370 -7.127 6.886 1.00 0.00 O ATOM 756 OE2 GLU A 51 12.288 -8.353 5.417 1.00 0.00 O ATOM 0 H GLU A 51 9.922 -7.519 10.024 1.00 0.00 H new ATOM 0 HA GLU A 51 12.609 -7.163 9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.033 -6.012 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.579 -5.528 7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.971 -8.461 7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.206 -7.555 6.646 1.00 0.00 H new ATOM 763 N PHE A 52 11.171 -4.473 10.684 1.00 0.00 N ATOM 764 CA PHE A 52 11.439 -3.169 11.279 1.00 0.00 C ATOM 765 C PHE A 52 12.644 -3.234 12.212 1.00 0.00 C ATOM 766 O PHE A 52 13.503 -2.352 12.196 1.00 0.00 O ATOM 767 CB PHE A 52 10.212 -2.673 12.046 1.00 0.00 C ATOM 768 CG PHE A 52 10.152 -1.178 12.179 1.00 0.00 C ATOM 769 CD1 PHE A 52 9.746 -0.389 11.115 1.00 0.00 C ATOM 770 CD2 PHE A 52 10.502 -0.561 13.369 1.00 0.00 C ATOM 771 CE1 PHE A 52 9.689 0.986 11.234 1.00 0.00 C ATOM 772 CE2 PHE A 52 10.447 0.815 13.495 1.00 0.00 C ATOM 773 CZ PHE A 52 10.042 1.589 12.426 1.00 0.00 C ATOM 0 H PHE A 52 10.194 -4.763 10.726 1.00 0.00 H new ATOM 0 HA PHE A 52 11.663 -2.469 10.474 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.312 -3.021 11.540 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.211 -3.119 13.041 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.471 -0.855 10.180 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.821 -1.162 14.208 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.369 1.589 10.397 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.721 1.284 14.429 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.001 2.664 12.521 1.00 0.00 H new ATOM 783 N GLN A 53 12.699 -4.284 13.025 1.00 0.00 N ATOM 784 CA GLN A 53 13.798 -4.464 13.967 1.00 0.00 C ATOM 785 C GLN A 53 15.053 -4.953 13.252 1.00 0.00 C ATOM 786 O GLN A 53 16.118 -4.344 13.356 1.00 0.00 O ATOM 787 CB GLN A 53 13.401 -5.454 15.063 1.00 0.00 C ATOM 788 CG GLN A 53 12.438 -4.876 16.087 1.00 0.00 C ATOM 789 CD GLN A 53 11.861 -5.932 17.008 1.00 0.00 C ATOM 790 OE1 GLN A 53 12.584 -6.786 17.522 1.00 0.00 O ATOM 791 NE2 GLN A 53 10.551 -5.881 17.220 1.00 0.00 N ATOM 0 H GLN A 53 11.996 -5.023 13.051 1.00 0.00 H new ATOM 0 HA GLN A 53 14.015 -3.498 14.422 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.945 -6.330 14.602 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.300 -5.796 15.575 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.956 -4.124 16.682 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.625 -4.368 15.569 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.990 -5.156 16.773 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.106 -6.567 17.830 1.00 0.00 H new ATOM 800 N LYS A 54 14.921 -6.059 12.526 1.00 0.00 N ATOM 801 CA LYS A 54 16.044 -6.631 11.793 1.00 0.00 C ATOM 802 C LYS A 54 16.832 -5.544 11.069 1.00 0.00 C ATOM 803 O LYS A 54 18.054 -5.464 11.192 1.00 0.00 O ATOM 804 CB LYS A 54 15.545 -7.670 10.786 1.00 0.00 C ATOM 805 CG LYS A 54 16.567 -8.748 10.467 1.00 0.00 C ATOM 806 CD LYS A 54 16.776 -9.684 11.645 1.00 0.00 C ATOM 807 CE LYS A 54 15.747 -10.805 11.656 1.00 0.00 C ATOM 808 NZ LYS A 54 14.549 -10.450 12.466 1.00 0.00 N ATOM 0 H LYS A 54 14.047 -6.577 12.430 1.00 0.00 H new ATOM 0 HA LYS A 54 16.705 -7.117 12.511 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.644 -8.141 11.179 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.264 -7.163 9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.235 -9.320 9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 54 17.515 -8.283 10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.779 -10.109 11.600 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.711 -9.120 12.575 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.441 -11.027 10.634 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.201 -11.711 12.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.158 -11.309 12.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.821 -9.777 13.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.831 -10.016 11.852 1.00 0.00 H new ATOM 822 N ARG A 55 16.124 -4.709 10.314 1.00 0.00 N ATOM 823 CA ARG A 55 16.758 -3.627 9.571 1.00 0.00 C ATOM 824 C ARG A 55 16.963 -2.404 10.460 1.00 0.00 C ATOM 825 O ARG A 55 18.024 -1.781 10.442 1.00 0.00 O ATOM 826 CB ARG A 55 15.910 -3.250 8.355 1.00 0.00 C ATOM 827 CG ARG A 55 16.632 -2.353 7.364 1.00 0.00 C ATOM 828 CD ARG A 55 17.438 -3.164 6.361 1.00 0.00 C ATOM 829 NE ARG A 55 18.399 -4.047 7.018 1.00 0.00 N ATOM 830 CZ ARG A 55 18.153 -5.322 7.297 1.00 0.00 C ATOM 831 NH1 ARG A 55 16.985 -5.861 6.979 1.00 0.00 N ATOM 832 NH2 ARG A 55 19.078 -6.061 7.896 1.00 0.00 N ATOM 0 H ARG A 55 15.112 -4.762 10.201 1.00 0.00 H new ATOM 0 HA ARG A 55 17.733 -3.976 9.232 1.00 0.00 H new ATOM 0 HB2 ARG A 55 15.595 -4.161 7.846 1.00 0.00 H new ATOM 0 HB3 ARG A 55 15.005 -2.747 8.696 1.00 0.00 H new ATOM 0 HG2 ARG A 55 15.906 -1.736 6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 55 17.295 -1.675 7.902 1.00 0.00 H new ATOM 0 HD2 ARG A 55 16.761 -3.758 5.747 1.00 0.00 H new ATOM 0 HD3 ARG A 55 17.967 -2.488 5.689 1.00 0.00 H new ATOM 0 HE ARG A 55 19.308 -3.663 7.276 1.00 0.00 H new ATOM 0 HH11 ARG A 55 16.271 -5.296 6.518 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.800 -6.841 7.195 1.00 0.00 H new ATOM 0 HH21 ARG A 55 19.978 -5.650 8.142 1.00 0.00 H new ATOM 0 HH22 ARG A 55 18.889 -7.040 8.110 1.00 0.00 H new ATOM 846 N ALA A 56 15.939 -2.066 11.237 1.00 0.00 N ATOM 847 CA ALA A 56 16.007 -0.919 12.134 1.00 0.00 C ATOM 848 C ALA A 56 16.266 0.369 11.360 1.00 0.00 C ATOM 849 O ALA A 56 16.958 1.266 11.841 1.00 0.00 O ATOM 850 CB ALA A 56 17.088 -1.133 13.184 1.00 0.00 C ATOM 0 H ALA A 56 15.053 -2.570 11.263 1.00 0.00 H new ATOM 0 HA ALA A 56 15.044 -0.823 12.635 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.128 -0.269 13.847 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.859 -2.026 13.765 1.00 0.00 H new ATOM 0 HB3 ALA A 56 18.053 -1.258 12.693 1.00 0.00 H new ATOM 856 N LYS A 57 15.707 0.453 10.157 1.00 0.00 N ATOM 857 CA LYS A 57 15.877 1.632 9.315 1.00 0.00 C ATOM 858 C LYS A 57 14.534 2.298 9.035 1.00 0.00 C ATOM 859 O LYS A 57 13.608 1.663 8.531 1.00 0.00 O ATOM 860 CB LYS A 57 16.553 1.248 7.997 1.00 0.00 C ATOM 861 CG LYS A 57 16.907 2.441 7.126 1.00 0.00 C ATOM 862 CD LYS A 57 18.274 3.003 7.478 1.00 0.00 C ATOM 863 CE LYS A 57 19.393 2.108 6.969 1.00 0.00 C ATOM 864 NZ LYS A 57 19.392 2.010 5.483 1.00 0.00 N ATOM 0 H LYS A 57 15.132 -0.281 9.743 1.00 0.00 H new ATOM 0 HA LYS A 57 16.510 2.341 9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 57 17.461 0.685 8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.892 0.584 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 57 16.894 2.144 6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 57 16.151 3.217 7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 57 18.380 3.999 7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 57 18.357 3.111 8.559 1.00 0.00 H new ATOM 0 HE2 LYS A 57 20.353 2.499 7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 57 19.286 1.112 7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 20.332 1.709 5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 18.680 1.314 5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 19.163 2.938 5.074 1.00 0.00 H new ATOM 878 N ARG A 58 14.436 3.582 9.364 1.00 0.00 N ATOM 879 CA ARG A 58 13.206 4.335 9.148 1.00 0.00 C ATOM 880 C ARG A 58 13.079 4.760 7.688 1.00 0.00 C ATOM 881 O ARG A 58 14.077 5.041 7.025 1.00 0.00 O ATOM 882 CB ARG A 58 13.171 5.567 10.054 1.00 0.00 C ATOM 883 CG ARG A 58 12.787 5.255 11.491 1.00 0.00 C ATOM 884 CD ARG A 58 12.664 6.522 12.322 1.00 0.00 C ATOM 885 NE ARG A 58 11.977 6.282 13.588 1.00 0.00 N ATOM 886 CZ ARG A 58 11.624 7.249 14.428 1.00 0.00 C ATOM 887 NH1 ARG A 58 11.893 8.514 14.138 1.00 0.00 N ATOM 888 NH2 ARG A 58 11.001 6.951 15.561 1.00 0.00 N ATOM 0 H ARG A 58 15.194 4.123 9.781 1.00 0.00 H new ATOM 0 HA ARG A 58 12.365 3.687 9.395 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.152 6.043 10.044 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.463 6.288 9.646 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.840 4.715 11.507 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.536 4.599 11.935 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.658 6.924 12.519 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.122 7.277 11.753 1.00 0.00 H new ATOM 0 HE ARG A 58 11.756 5.319 13.841 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.372 8.747 13.268 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.621 9.254 14.785 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.793 5.979 15.788 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.731 7.694 16.205 1.00 0.00 H new ATOM 902 N GLN A 59 11.846 4.803 7.195 1.00 0.00 N ATOM 903 CA GLN A 59 11.589 5.193 5.813 1.00 0.00 C ATOM 904 C GLN A 59 12.363 4.305 4.844 1.00 0.00 C ATOM 905 O GLN A 59 12.944 4.789 3.874 1.00 0.00 O ATOM 906 CB GLN A 59 11.970 6.658 5.595 1.00 0.00 C ATOM 907 CG GLN A 59 11.114 7.634 6.387 1.00 0.00 C ATOM 908 CD GLN A 59 9.707 7.755 5.838 1.00 0.00 C ATOM 909 OE1 GLN A 59 8.968 6.772 5.767 1.00 0.00 O ATOM 910 NE2 GLN A 59 9.326 8.965 5.445 1.00 0.00 N ATOM 0 H GLN A 59 11.009 4.573 7.731 1.00 0.00 H new ATOM 0 HA GLN A 59 10.524 5.069 5.619 1.00 0.00 H new ATOM 0 HB2 GLN A 59 13.015 6.798 5.871 1.00 0.00 H new ATOM 0 HB3 GLN A 59 11.886 6.892 4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 59 11.068 7.310 7.427 1.00 0.00 H new ATOM 0 HG3 GLN A 59 11.588 8.615 6.380 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.970 9.752 5.521 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.389 9.107 5.067 1.00 0.00 H new ATOM 919 N GLU A 60 12.365 3.003 5.116 1.00 0.00 N ATOM 920 CA GLU A 60 13.069 2.048 4.268 1.00 0.00 C ATOM 921 C GLU A 60 12.441 0.661 4.373 1.00 0.00 C ATOM 922 O GLU A 60 12.619 -0.038 5.371 1.00 0.00 O ATOM 923 CB GLU A 60 14.548 1.982 4.655 1.00 0.00 C ATOM 924 CG GLU A 60 15.364 1.043 3.782 1.00 0.00 C ATOM 925 CD GLU A 60 15.476 1.527 2.350 1.00 0.00 C ATOM 926 OE1 GLU A 60 15.330 2.747 2.124 1.00 0.00 O ATOM 927 OE2 GLU A 60 15.709 0.688 1.456 1.00 0.00 O ATOM 0 H GLU A 60 11.888 2.586 5.915 1.00 0.00 H new ATOM 0 HA GLU A 60 12.986 2.388 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.975 2.983 4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.629 1.662 5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.363 0.936 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.906 0.054 3.792 1.00 0.00 H new ATOM 934 N ARG A 61 11.706 0.271 3.337 1.00 0.00 N ATOM 935 CA ARG A 61 11.050 -1.031 3.313 1.00 0.00 C ATOM 936 C ARG A 61 11.012 -1.595 1.895 1.00 0.00 C ATOM 937 O ARG A 61 10.826 -0.856 0.928 1.00 0.00 O ATOM 938 CB ARG A 61 9.629 -0.920 3.868 1.00 0.00 C ATOM 939 CG ARG A 61 9.567 -0.914 5.386 1.00 0.00 C ATOM 940 CD ARG A 61 8.147 -1.129 5.886 1.00 0.00 C ATOM 941 NE ARG A 61 7.251 -0.055 5.466 1.00 0.00 N ATOM 942 CZ ARG A 61 7.119 1.092 6.124 1.00 0.00 C ATOM 943 NH1 ARG A 61 7.822 1.313 7.226 1.00 0.00 N ATOM 944 NH2 ARG A 61 6.283 2.021 5.679 1.00 0.00 N ATOM 0 H ARG A 61 11.550 0.838 2.503 1.00 0.00 H new ATOM 0 HA ARG A 61 11.625 -1.712 3.941 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.171 -0.006 3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.035 -1.753 3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.215 -1.696 5.781 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.947 0.036 5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.771 -2.082 5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.151 -1.193 6.974 1.00 0.00 H new ATOM 0 HE ARG A 61 6.696 -0.193 4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.466 0.602 7.571 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.718 2.194 7.729 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.741 1.855 4.831 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.182 2.901 6.185 1.00 0.00 H new ATOM 958 N ARG A 62 11.190 -2.907 1.781 1.00 0.00 N ATOM 959 CA ARG A 62 11.178 -3.569 0.482 1.00 0.00 C ATOM 960 C ARG A 62 10.919 -5.065 0.637 1.00 0.00 C ATOM 961 O ARG A 62 11.411 -5.697 1.571 1.00 0.00 O ATOM 962 CB ARG A 62 12.506 -3.342 -0.243 1.00 0.00 C ATOM 963 CG ARG A 62 13.696 -3.981 0.453 1.00 0.00 C ATOM 964 CD ARG A 62 13.981 -5.371 -0.093 1.00 0.00 C ATOM 965 NE ARG A 62 14.976 -6.081 0.707 1.00 0.00 N ATOM 966 CZ ARG A 62 15.745 -7.052 0.229 1.00 0.00 C ATOM 967 NH1 ARG A 62 15.636 -7.428 -1.038 1.00 0.00 N ATOM 968 NH2 ARG A 62 16.628 -7.651 1.019 1.00 0.00 N ATOM 0 H ARG A 62 11.344 -3.532 2.572 1.00 0.00 H new ATOM 0 HA ARG A 62 10.371 -3.137 -0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.431 -3.740 -1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.682 -2.270 -0.335 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.576 -3.351 0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.503 -4.042 1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.056 -5.948 -0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.333 -5.291 -1.122 1.00 0.00 H new ATOM 0 HE ARG A 62 15.086 -5.816 1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.959 -6.971 -1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.229 -8.174 -1.401 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.716 -7.365 1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.218 -8.397 0.651 1.00 0.00 H new ATOM 982 N LYS A 63 10.144 -5.624 -0.286 1.00 0.00 N ATOM 983 CA LYS A 63 9.820 -7.046 -0.254 1.00 0.00 C ATOM 984 C LYS A 63 9.028 -7.451 -1.493 1.00 0.00 C ATOM 985 O LYS A 63 7.982 -6.873 -1.788 1.00 0.00 O ATOM 986 CB LYS A 63 9.021 -7.379 1.008 1.00 0.00 C ATOM 987 CG LYS A 63 8.518 -8.812 1.048 1.00 0.00 C ATOM 988 CD LYS A 63 7.128 -8.933 0.446 1.00 0.00 C ATOM 989 CE LYS A 63 6.912 -10.298 -0.188 1.00 0.00 C ATOM 990 NZ LYS A 63 6.915 -11.388 0.827 1.00 0.00 N ATOM 0 H LYS A 63 9.728 -5.114 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 63 10.755 -7.607 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.646 -7.197 1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.170 -6.702 1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.208 -9.456 0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.500 -9.164 2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.379 -8.768 1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.987 -8.156 -0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.963 -10.303 -0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.694 -10.485 -0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.765 -12.302 0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.830 -11.400 1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.152 -11.224 1.515 1.00 0.00 H new ATOM 1004 N GLN A 64 9.532 -8.448 -2.212 1.00 0.00 N ATOM 1005 CA GLN A 64 8.870 -8.931 -3.418 1.00 0.00 C ATOM 1006 C GLN A 64 9.290 -10.362 -3.734 1.00 0.00 C ATOM 1007 O GLN A 64 10.408 -10.607 -4.188 1.00 0.00 O ATOM 1008 CB GLN A 64 9.194 -8.019 -4.603 1.00 0.00 C ATOM 1009 CG GLN A 64 8.563 -6.640 -4.500 1.00 0.00 C ATOM 1010 CD GLN A 64 7.069 -6.699 -4.249 1.00 0.00 C ATOM 1011 OE1 GLN A 64 6.422 -7.710 -4.522 1.00 0.00 O ATOM 1012 NE2 GLN A 64 6.512 -5.613 -3.726 1.00 0.00 N ATOM 0 H GLN A 64 10.397 -8.937 -1.981 1.00 0.00 H new ATOM 0 HA GLN A 64 7.794 -8.918 -3.241 1.00 0.00 H new ATOM 0 HB2 GLN A 64 10.276 -7.909 -4.681 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.855 -8.497 -5.522 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.041 -6.085 -3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.751 -6.089 -5.421 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.086 -4.797 -3.515 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.510 -5.595 -3.535 1.00 0.00 H new ATOM 1021 N LEU A 65 8.386 -11.305 -3.491 1.00 0.00 N ATOM 1022 CA LEU A 65 8.662 -12.714 -3.749 1.00 0.00 C ATOM 1023 C LEU A 65 7.368 -13.495 -3.953 1.00 0.00 C ATOM 1024 O LEU A 65 6.463 -13.446 -3.119 1.00 0.00 O ATOM 1025 CB LEU A 65 9.459 -13.319 -2.591 1.00 0.00 C ATOM 1026 CG LEU A 65 10.852 -12.733 -2.357 1.00 0.00 C ATOM 1027 CD1 LEU A 65 10.772 -11.510 -1.457 1.00 0.00 C ATOM 1028 CD2 LEU A 65 11.776 -13.782 -1.755 1.00 0.00 C ATOM 0 H LEU A 65 7.456 -11.119 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 65 9.253 -12.781 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.879 -13.201 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.562 -14.390 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 65 11.263 -12.424 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.773 -11.107 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.144 -10.753 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.342 -11.793 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.763 -13.348 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.370 -14.121 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.858 -14.629 -2.436 1.00 0.00 H new ATOM 1040 N LEU A 66 7.287 -14.216 -5.066 1.00 0.00 N ATOM 1041 CA LEU A 66 6.103 -15.009 -5.379 1.00 0.00 C ATOM 1042 C LEU A 66 5.619 -15.772 -4.150 1.00 0.00 C ATOM 1043 O LEU A 66 6.353 -16.578 -3.578 1.00 0.00 O ATOM 1044 CB LEU A 66 6.407 -15.989 -6.514 1.00 0.00 C ATOM 1045 CG LEU A 66 6.652 -15.367 -7.889 1.00 0.00 C ATOM 1046 CD1 LEU A 66 7.492 -16.295 -8.753 1.00 0.00 C ATOM 1047 CD2 LEU A 66 5.330 -15.050 -8.574 1.00 0.00 C ATOM 0 H LEU A 66 8.027 -14.268 -5.766 1.00 0.00 H new ATOM 0 HA LEU A 66 5.313 -14.328 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.286 -16.571 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.575 -16.688 -6.596 1.00 0.00 H new ATOM 0 HG LEU A 66 7.201 -14.435 -7.752 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.656 -15.835 -9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.453 -16.472 -8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.970 -17.243 -8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.523 -14.608 -9.551 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.755 -15.968 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.763 -14.347 -7.964 1.00 0.00 H new ATOM 1059 N SER A 67 4.377 -15.514 -3.751 1.00 0.00 N ATOM 1060 CA SER A 67 3.794 -16.175 -2.589 1.00 0.00 C ATOM 1061 C SER A 67 3.140 -17.495 -2.987 1.00 0.00 C ATOM 1062 O SER A 67 2.346 -17.550 -3.926 1.00 0.00 O ATOM 1063 CB SER A 67 2.764 -15.263 -1.921 1.00 0.00 C ATOM 1064 OG SER A 67 1.689 -14.978 -2.799 1.00 0.00 O ATOM 0 H SER A 67 3.755 -14.852 -4.215 1.00 0.00 H new ATOM 0 HA SER A 67 4.595 -16.386 -1.881 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.383 -15.740 -1.018 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.242 -14.333 -1.613 1.00 0.00 H new ATOM 0 HG SER A 67 1.666 -15.646 -3.516 1.00 0.00 H new ATOM 1070 N LYS A 68 3.480 -18.557 -2.265 1.00 0.00 N ATOM 1071 CA LYS A 68 2.926 -19.878 -2.539 1.00 0.00 C ATOM 1072 C LYS A 68 1.560 -20.043 -1.879 1.00 0.00 C ATOM 1073 O LYS A 68 1.172 -19.243 -1.029 1.00 0.00 O ATOM 1074 CB LYS A 68 3.879 -20.967 -2.040 1.00 0.00 C ATOM 1075 CG LYS A 68 4.153 -20.899 -0.548 1.00 0.00 C ATOM 1076 CD LYS A 68 5.451 -21.603 -0.187 1.00 0.00 C ATOM 1077 CE LYS A 68 6.662 -20.755 -0.542 1.00 0.00 C ATOM 1078 NZ LYS A 68 6.803 -19.581 0.364 1.00 0.00 N ATOM 0 H LYS A 68 4.137 -18.529 -1.485 1.00 0.00 H new ATOM 0 HA LYS A 68 2.804 -19.976 -3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.458 -21.944 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.823 -20.886 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.204 -19.857 -0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.326 -21.356 -0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.461 -21.825 0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.507 -22.557 -0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.562 -21.367 -0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.574 -20.410 -1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.756 -19.177 0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.094 -18.863 0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.658 -19.883 1.349 1.00 0.00 H new ATOM 1092 N GLN A 69 0.839 -21.086 -2.276 1.00 0.00 N ATOM 1093 CA GLN A 69 -0.483 -21.355 -1.723 1.00 0.00 C ATOM 1094 C GLN A 69 -0.375 -22.023 -0.356 1.00 0.00 C ATOM 1095 O GLN A 69 0.718 -22.373 0.092 1.00 0.00 O ATOM 1096 CB GLN A 69 -1.287 -22.242 -2.675 1.00 0.00 C ATOM 1097 CG GLN A 69 -1.432 -21.660 -4.072 1.00 0.00 C ATOM 1098 CD GLN A 69 -2.526 -20.614 -4.157 1.00 0.00 C ATOM 1099 OE1 GLN A 69 -3.215 -20.338 -3.175 1.00 0.00 O ATOM 1100 NE2 GLN A 69 -2.689 -20.023 -5.335 1.00 0.00 N ATOM 0 H GLN A 69 1.148 -21.758 -2.978 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.999 -20.403 -1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.804 -23.217 -2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.279 -22.407 -2.254 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.485 -21.215 -4.376 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.647 -22.464 -4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.095 -20.283 -6.122 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.408 -19.309 -5.452 1.00 0.00 H new ATOM 1109 N LYS A 70 -1.515 -22.198 0.304 1.00 0.00 N ATOM 1110 CA LYS A 70 -1.550 -22.825 1.620 1.00 0.00 C ATOM 1111 C LYS A 70 -2.032 -24.269 1.522 1.00 0.00 C ATOM 1112 O LYS A 70 -1.546 -25.145 2.237 1.00 0.00 O ATOM 1113 CB LYS A 70 -2.463 -22.034 2.560 1.00 0.00 C ATOM 1114 CG LYS A 70 -3.937 -22.140 2.209 1.00 0.00 C ATOM 1115 CD LYS A 70 -4.599 -23.302 2.930 1.00 0.00 C ATOM 1116 CE LYS A 70 -4.815 -22.993 4.403 1.00 0.00 C ATOM 1117 NZ LYS A 70 -5.526 -24.099 5.104 1.00 0.00 N ATOM 0 H LYS A 70 -2.428 -21.914 -0.052 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.537 -22.825 2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.315 -22.388 3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.168 -20.985 2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.443 -21.211 2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.047 -22.268 1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.557 -23.525 2.460 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.980 -24.193 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.852 -22.819 4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.390 -22.072 4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.654 -23.850 6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.456 -24.248 4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.965 -24.972 5.033 1.00 0.00 H new ATOM 1131 N TYR A 71 -2.988 -24.509 0.632 1.00 0.00 N ATOM 1132 CA TYR A 71 -3.536 -25.847 0.441 1.00 0.00 C ATOM 1133 C TYR A 71 -2.875 -26.543 -0.745 1.00 0.00 C ATOM 1134 O TYR A 71 -3.531 -27.251 -1.508 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.049 -25.776 0.227 1.00 0.00 C ATOM 1136 CG TYR A 71 -5.458 -24.858 -0.903 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -5.559 -25.329 -2.206 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -5.744 -23.519 -0.667 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -5.931 -24.494 -3.241 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -6.119 -22.676 -1.696 1.00 0.00 C ATOM 1141 CZ TYR A 71 -6.210 -23.169 -2.981 1.00 0.00 C ATOM 1142 OH TYR A 71 -6.583 -22.334 -4.009 1.00 0.00 O ATOM 0 H TYR A 71 -3.400 -23.795 0.031 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.330 -26.428 1.340 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.426 -26.778 0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.522 -25.437 1.149 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.343 -26.367 -2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.672 -23.130 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.003 -24.877 -4.248 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.339 -21.638 -1.495 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.745 -21.434 -3.657 1.00 0.00 H new ATOM 1152 N ALA A 72 -1.571 -26.335 -0.893 1.00 0.00 N ATOM 1153 CA ALA A 72 -0.819 -26.943 -1.983 1.00 0.00 C ATOM 1154 C ALA A 72 -0.913 -28.464 -1.933 1.00 0.00 C ATOM 1155 O ALA A 72 -1.319 -29.102 -2.904 1.00 0.00 O ATOM 1156 CB ALA A 72 0.635 -26.500 -1.933 1.00 0.00 C ATOM 0 H ALA A 72 -1.013 -25.750 -0.271 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.256 -26.609 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.185 -26.962 -2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.688 -25.415 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.076 -26.805 -0.984 1.00 0.00 H new ATOM 1162 N ASP A 73 -0.534 -29.038 -0.797 1.00 0.00 N ATOM 1163 CA ASP A 73 -0.576 -30.485 -0.621 1.00 0.00 C ATOM 1164 C ASP A 73 -1.590 -30.873 0.451 1.00 0.00 C ATOM 1165 O ASP A 73 -2.346 -31.829 0.288 1.00 0.00 O ATOM 1166 CB ASP A 73 0.809 -31.015 -0.246 1.00 0.00 C ATOM 1167 CG ASP A 73 0.741 -32.318 0.527 1.00 0.00 C ATOM 1168 OD1 ASP A 73 0.442 -33.359 -0.093 1.00 0.00 O ATOM 1169 OD2 ASP A 73 0.986 -32.295 1.752 1.00 0.00 O ATOM 0 H ASP A 73 -0.194 -28.524 0.016 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.884 -30.932 -1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.395 -31.164 -1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.331 -30.268 0.352 1.00 0.00 H new ATOM 1174 N GLY A 74 -1.599 -30.123 1.549 1.00 0.00 N ATOM 1175 CA GLY A 74 -2.523 -30.405 2.633 1.00 0.00 C ATOM 1176 C GLY A 74 -3.935 -30.652 2.141 1.00 0.00 C ATOM 1177 O GLY A 74 -4.273 -31.765 1.738 1.00 0.00 O ATOM 0 H GLY A 74 -0.983 -29.325 1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.176 -31.279 3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.526 -29.568 3.331 1.00 0.00 H new ATOM 1181 N ALA A 75 -4.762 -29.613 2.175 1.00 0.00 N ATOM 1182 CA ALA A 75 -6.145 -29.723 1.729 1.00 0.00 C ATOM 1183 C ALA A 75 -6.221 -29.927 0.219 1.00 0.00 C ATOM 1184 O ALA A 75 -5.898 -29.027 -0.556 1.00 0.00 O ATOM 1185 CB ALA A 75 -6.931 -28.485 2.135 1.00 0.00 C ATOM 0 H ALA A 75 -4.498 -28.685 2.507 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.587 -30.595 2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.962 -28.581 1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.914 -28.383 3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.480 -27.603 1.681 1.00 0.00 H new ATOM 1191 N PHE A 76 -6.648 -31.117 -0.191 1.00 0.00 N ATOM 1192 CA PHE A 76 -6.764 -31.440 -1.609 1.00 0.00 C ATOM 1193 C PHE A 76 -8.121 -32.068 -1.914 1.00 0.00 C ATOM 1194 O PHE A 76 -8.311 -33.272 -1.745 1.00 0.00 O ATOM 1195 CB PHE A 76 -5.642 -32.391 -2.030 1.00 0.00 C ATOM 1196 CG PHE A 76 -5.796 -33.780 -1.480 1.00 0.00 C ATOM 1197 CD1 PHE A 76 -5.654 -34.022 -0.123 1.00 0.00 C ATOM 1198 CD2 PHE A 76 -6.083 -34.844 -2.319 1.00 0.00 C ATOM 1199 CE1 PHE A 76 -5.795 -35.299 0.386 1.00 0.00 C ATOM 1200 CE2 PHE A 76 -6.225 -36.124 -1.816 1.00 0.00 C ATOM 1201 CZ PHE A 76 -6.082 -36.351 -0.462 1.00 0.00 C ATOM 0 H PHE A 76 -6.919 -31.873 0.438 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.677 -30.513 -2.176 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.608 -32.441 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.687 -31.982 -1.700 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.431 -33.203 0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.197 -34.672 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.681 -35.474 1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.447 -36.945 -2.481 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.194 -37.350 -0.066 1.00 0.00 H new ATOM 1211 N ALA A 77 -9.060 -31.243 -2.364 1.00 0.00 N ATOM 1212 CA ALA A 77 -10.399 -31.716 -2.695 1.00 0.00 C ATOM 1213 C ALA A 77 -10.799 -31.292 -4.104 1.00 0.00 C ATOM 1214 O ALA A 77 -10.089 -30.528 -4.757 1.00 0.00 O ATOM 1215 CB ALA A 77 -11.407 -31.200 -1.679 1.00 0.00 C ATOM 0 H ALA A 77 -8.919 -30.243 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.391 -32.805 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.402 -31.561 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.138 -31.559 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.403 -30.110 -1.684 1.00 0.00 H new ATOM 1221 N ASP A 78 -11.939 -31.793 -4.566 1.00 0.00 N ATOM 1222 CA ASP A 78 -12.434 -31.466 -5.898 1.00 0.00 C ATOM 1223 C ASP A 78 -13.861 -30.930 -5.831 1.00 0.00 C ATOM 1224 O ASP A 78 -14.478 -30.909 -4.766 1.00 0.00 O ATOM 1225 CB ASP A 78 -12.380 -32.698 -6.802 1.00 0.00 C ATOM 1226 CG ASP A 78 -13.138 -33.876 -6.222 1.00 0.00 C ATOM 1227 OD1 ASP A 78 -14.385 -33.858 -6.266 1.00 0.00 O ATOM 1228 OD2 ASP A 78 -12.483 -34.815 -5.723 1.00 0.00 O ATOM 0 H ASP A 78 -12.538 -32.427 -4.038 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.793 -30.690 -6.317 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.796 -32.447 -7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.340 -32.982 -6.962 1.00 0.00 H new ATOM 1233 N PHE A 79 -14.380 -30.498 -6.975 1.00 0.00 N ATOM 1234 CA PHE A 79 -15.733 -29.960 -7.047 1.00 0.00 C ATOM 1235 C PHE A 79 -16.187 -29.819 -8.497 1.00 0.00 C ATOM 1236 O PHE A 79 -15.390 -29.502 -9.380 1.00 0.00 O ATOM 1237 CB PHE A 79 -15.803 -28.603 -6.344 1.00 0.00 C ATOM 1238 CG PHE A 79 -14.736 -27.643 -6.785 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -13.438 -27.767 -6.318 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -15.031 -26.617 -7.669 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -12.454 -26.885 -6.722 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -14.051 -25.732 -8.077 1.00 0.00 C ATOM 1243 CZ PHE A 79 -12.760 -25.867 -7.604 1.00 0.00 C ATOM 0 H PHE A 79 -13.883 -30.510 -7.866 1.00 0.00 H new ATOM 0 HA PHE A 79 -16.401 -30.658 -6.543 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -16.780 -28.157 -6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -15.721 -28.756 -5.268 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.192 -28.562 -5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -16.038 -26.508 -8.043 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.446 -26.992 -6.348 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -14.294 -24.936 -8.765 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.992 -25.178 -7.923 1.00 0.00 H new ATOM 1253 N LYS A 80 -17.472 -30.056 -8.734 1.00 0.00 N ATOM 1254 CA LYS A 80 -18.034 -29.955 -10.076 1.00 0.00 C ATOM 1255 C LYS A 80 -18.313 -28.500 -10.440 1.00 0.00 C ATOM 1256 O LYS A 80 -18.544 -27.665 -9.566 1.00 0.00 O ATOM 1257 CB LYS A 80 -19.324 -30.772 -10.173 1.00 0.00 C ATOM 1258 CG LYS A 80 -19.649 -31.229 -11.585 1.00 0.00 C ATOM 1259 CD LYS A 80 -21.148 -31.272 -11.826 1.00 0.00 C ATOM 1260 CE LYS A 80 -21.700 -29.892 -12.152 1.00 0.00 C ATOM 1261 NZ LYS A 80 -22.243 -29.212 -10.943 1.00 0.00 N ATOM 0 H LYS A 80 -18.145 -30.320 -8.014 1.00 0.00 H new ATOM 0 HA LYS A 80 -17.304 -30.354 -10.780 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -19.240 -31.646 -9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -20.153 -30.174 -9.794 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -19.183 -30.554 -12.303 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -19.224 -32.218 -11.755 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -21.366 -31.955 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -21.649 -31.666 -10.941 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -20.912 -29.280 -12.590 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -22.486 -29.983 -12.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -23.260 -29.036 -11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -22.099 -29.818 -10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -21.750 -28.307 -10.803 1.00 0.00 H new ATOM 1275 N GLN A 81 -18.292 -28.205 -11.736 1.00 0.00 N ATOM 1276 CA GLN A 81 -18.543 -26.851 -12.215 1.00 0.00 C ATOM 1277 C GLN A 81 -19.641 -26.843 -13.274 1.00 0.00 C ATOM 1278 O GLN A 81 -19.914 -27.864 -13.905 1.00 0.00 O ATOM 1279 CB GLN A 81 -17.262 -26.243 -12.788 1.00 0.00 C ATOM 1280 CG GLN A 81 -16.659 -27.054 -13.924 1.00 0.00 C ATOM 1281 CD GLN A 81 -15.396 -26.428 -14.482 1.00 0.00 C ATOM 1282 OE1 GLN A 81 -15.331 -26.078 -15.661 1.00 0.00 O ATOM 1283 NE2 GLN A 81 -14.383 -26.282 -13.635 1.00 0.00 N ATOM 0 H GLN A 81 -18.104 -28.885 -12.473 1.00 0.00 H new ATOM 0 HA GLN A 81 -18.875 -26.250 -11.368 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.476 -25.236 -13.145 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -16.526 -26.148 -11.990 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -16.435 -28.060 -13.568 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.394 -27.155 -14.723 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.480 -26.586 -12.666 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.508 -25.866 -13.953 1.00 0.00 H new ATOM 1292 N GLU A 82 -20.266 -25.685 -13.463 1.00 0.00 N ATOM 1293 CA GLU A 82 -21.335 -25.547 -14.445 1.00 0.00 C ATOM 1294 C GLU A 82 -21.322 -24.155 -15.071 1.00 0.00 C ATOM 1295 O GLU A 82 -21.011 -23.167 -14.406 1.00 0.00 O ATOM 1296 CB GLU A 82 -22.694 -25.812 -13.794 1.00 0.00 C ATOM 1297 CG GLU A 82 -22.913 -27.266 -13.412 1.00 0.00 C ATOM 1298 CD GLU A 82 -24.281 -27.511 -12.805 1.00 0.00 C ATOM 1299 OE1 GLU A 82 -24.785 -26.615 -12.097 1.00 0.00 O ATOM 1300 OE2 GLU A 82 -24.847 -28.599 -13.040 1.00 0.00 O ATOM 0 H GLU A 82 -20.051 -24.830 -12.950 1.00 0.00 H new ATOM 0 HA GLU A 82 -21.168 -26.283 -15.232 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -22.787 -25.193 -12.902 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -23.482 -25.503 -14.480 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -22.795 -27.892 -14.297 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -22.145 -27.571 -12.701 1.00 0.00 H new ATOM 1307 N SER A 83 -21.660 -24.086 -16.354 1.00 0.00 N ATOM 1308 CA SER A 83 -21.683 -22.817 -17.072 1.00 0.00 C ATOM 1309 C SER A 83 -23.070 -22.541 -17.644 1.00 0.00 C ATOM 1310 O SER A 83 -23.643 -21.474 -17.425 1.00 0.00 O ATOM 1311 CB SER A 83 -20.647 -22.825 -18.198 1.00 0.00 C ATOM 1312 OG SER A 83 -19.329 -22.850 -17.679 1.00 0.00 O ATOM 0 H SER A 83 -21.922 -24.894 -16.918 1.00 0.00 H new ATOM 0 HA SER A 83 -21.436 -22.024 -16.366 1.00 0.00 H new ATOM 0 HB2 SER A 83 -20.806 -23.694 -18.836 1.00 0.00 H new ATOM 0 HB3 SER A 83 -20.778 -21.942 -18.823 1.00 0.00 H new ATOM 0 HG SER A 83 -18.686 -22.856 -18.419 1.00 0.00 H new ATOM 1318 N GLY A 84 -23.605 -23.512 -18.378 1.00 0.00 N ATOM 1319 CA GLY A 84 -24.921 -23.356 -18.970 1.00 0.00 C ATOM 1320 C GLY A 84 -24.863 -22.757 -20.361 1.00 0.00 C ATOM 1321 O GLY A 84 -24.260 -21.707 -20.584 1.00 0.00 O ATOM 0 H GLY A 84 -23.150 -24.404 -18.573 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -25.413 -24.328 -19.016 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -25.531 -22.720 -18.329 1.00 0.00 H new ATOM 1325 N PRO A 85 -25.500 -23.434 -21.328 1.00 0.00 N ATOM 1326 CA PRO A 85 -25.532 -22.981 -22.722 1.00 0.00 C ATOM 1327 C PRO A 85 -26.380 -21.727 -22.905 1.00 0.00 C ATOM 1328 O PRO A 85 -26.970 -21.220 -21.951 1.00 0.00 O ATOM 1329 CB PRO A 85 -26.158 -24.164 -23.465 1.00 0.00 C ATOM 1330 CG PRO A 85 -26.973 -24.869 -22.435 1.00 0.00 C ATOM 1331 CD PRO A 85 -26.239 -24.693 -21.135 1.00 0.00 C ATOM 0 HA PRO A 85 -24.541 -22.708 -23.085 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -26.777 -23.827 -24.297 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -25.393 -24.819 -23.882 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -27.977 -24.448 -22.376 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -27.084 -25.925 -22.681 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -26.926 -24.630 -20.291 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -25.566 -25.528 -20.937 1.00 0.00 H new ATOM 1339 N SER A 86 -26.437 -21.232 -24.137 1.00 0.00 N ATOM 1340 CA SER A 86 -27.211 -20.035 -24.445 1.00 0.00 C ATOM 1341 C SER A 86 -27.715 -20.069 -25.885 1.00 0.00 C ATOM 1342 O SER A 86 -27.099 -20.685 -26.755 1.00 0.00 O ATOM 1343 CB SER A 86 -26.364 -18.782 -24.218 1.00 0.00 C ATOM 1344 OG SER A 86 -27.087 -17.610 -24.551 1.00 0.00 O ATOM 0 H SER A 86 -25.956 -21.641 -24.938 1.00 0.00 H new ATOM 0 HA SER A 86 -28.073 -20.008 -23.778 1.00 0.00 H new ATOM 0 HB2 SER A 86 -26.050 -18.735 -23.175 1.00 0.00 H new ATOM 0 HB3 SER A 86 -25.458 -18.838 -24.821 1.00 0.00 H new ATOM 0 HG SER A 86 -26.524 -16.823 -24.395 1.00 0.00 H new ATOM 1350 N SER A 87 -28.838 -19.401 -26.128 1.00 0.00 N ATOM 1351 CA SER A 87 -29.428 -19.357 -27.461 1.00 0.00 C ATOM 1352 C SER A 87 -30.440 -18.220 -27.570 1.00 0.00 C ATOM 1353 O SER A 87 -30.849 -17.640 -26.565 1.00 0.00 O ATOM 1354 CB SER A 87 -30.104 -20.690 -27.787 1.00 0.00 C ATOM 1355 OG SER A 87 -31.302 -20.848 -27.048 1.00 0.00 O ATOM 0 H SER A 87 -29.358 -18.883 -25.419 1.00 0.00 H new ATOM 0 HA SER A 87 -28.628 -19.178 -28.180 1.00 0.00 H new ATOM 0 HB2 SER A 87 -30.322 -20.740 -28.854 1.00 0.00 H new ATOM 0 HB3 SER A 87 -29.423 -21.511 -27.562 1.00 0.00 H new ATOM 0 HG SER A 87 -31.716 -21.707 -27.275 1.00 0.00 H new ATOM 1361 N GLY A 88 -30.839 -17.907 -28.799 1.00 0.00 N ATOM 1362 CA GLY A 88 -31.799 -16.842 -29.018 1.00 0.00 C ATOM 1363 C GLY A 88 -31.304 -15.811 -30.013 1.00 0.00 C ATOM 1364 O GLY A 88 -30.379 -15.066 -29.694 1.00 0.00 O ATOM 0 H GLY A 88 -30.514 -18.372 -29.647 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -32.735 -17.269 -29.377 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -32.016 -16.352 -28.069 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 1.669 -4.479 4.436 1.00 0.00 ZN