USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 878 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 65 ASN : amide:sc= -0.434 K(o=-0.26,f=-1.1) USER MOD Set 1.2: A 100 THR OG1 : rot 128:sc= 0.173 USER MOD Set 2.1: A 9 THR OG1 : rot 180:sc= 0.0754 USER MOD Set 2.2: A 11 LYS NZ :NH3+ 177:sc= 0.0739 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.0517 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.234 X(o=-0.23,f=0.032) USER MOD Single : A 19 THR OG1 : rot -60:sc= -4.88! USER MOD Single : A 22 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 164:sc= -2.22 (180deg=-2.89!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.43 USER MOD Single : A 41 ASN : amide:sc=-0.00118 X(o=-0.0012,f=-0.3) USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= -0.0184 (180deg=-0.426) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00371 USER MOD Single : A 47 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.32) USER MOD Single : A 52 ASN : amide:sc= -2.29! C(o=-2.3!,f=-2.2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0613 X(o=-0.061,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 79 THR OG1 : rot 138:sc= -3.14! USER MOD Single : A 80 HIS : no HE2:sc= -3.42! C(o=-3.4!,f=-7.2!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.344 K(o=-0.34,f=-2.5!) USER MOD Single : A 95 GLN : amide:sc= -3.47! C(o=-3.5!,f=-3.1!) USER MOD Single : A 102 LYS NZ :NH3+ -172:sc= 1.32 (180deg=0.8!) USER MOD Single : A 104 THR OG1 : rot -11:sc= -0.234! USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.0666 K(o=-0.067,f=-1.6!) USER MOD Single : A 113 SER OG : rot 45:sc= 0.208 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.660 -11.890 41.903 1.00 0.00 N ATOM 2 CA GLY A 1 16.933 -12.831 41.068 1.00 0.00 C ATOM 3 C GLY A 1 16.783 -12.298 39.642 1.00 0.00 C ATOM 4 O GLY A 1 16.729 -11.087 39.431 1.00 0.00 O ATOM 0 H1 GLY A 1 17.185 -11.805 42.824 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.632 -12.231 42.044 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.683 -10.960 41.439 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.457 -13.786 41.049 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.948 -13.016 41.496 1.00 0.00 H new ATOM 8 N SER A 2 16.718 -13.227 38.700 1.00 0.00 N ATOM 9 CA SER A 2 16.575 -12.865 37.300 1.00 0.00 C ATOM 10 C SER A 2 16.067 -14.065 36.499 1.00 0.00 C ATOM 11 O SER A 2 16.169 -15.205 36.949 1.00 0.00 O ATOM 12 CB SER A 2 17.900 -12.364 36.722 1.00 0.00 C ATOM 13 OG SER A 2 17.802 -11.025 36.244 1.00 0.00 O ATOM 0 H SER A 2 16.762 -14.230 38.879 1.00 0.00 H new ATOM 0 HA SER A 2 15.849 -12.055 37.229 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.674 -12.420 37.488 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.210 -13.018 35.907 1.00 0.00 H new ATOM 0 HG SER A 2 18.669 -10.742 35.885 1.00 0.00 H new ATOM 19 N SER A 3 15.531 -13.767 35.324 1.00 0.00 N ATOM 20 CA SER A 3 15.007 -14.808 34.455 1.00 0.00 C ATOM 21 C SER A 3 14.408 -14.184 33.194 1.00 0.00 C ATOM 22 O SER A 3 14.187 -12.975 33.140 1.00 0.00 O ATOM 23 CB SER A 3 13.957 -15.653 35.180 1.00 0.00 C ATOM 24 OG SER A 3 14.007 -17.021 34.784 1.00 0.00 O ATOM 0 H SER A 3 15.448 -12.820 34.954 1.00 0.00 H new ATOM 0 HA SER A 3 15.830 -15.464 34.172 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.114 -15.581 36.256 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.964 -15.252 34.975 1.00 0.00 H new ATOM 0 HG SER A 3 13.323 -17.527 35.270 1.00 0.00 H new ATOM 30 N GLY A 4 14.163 -15.036 32.209 1.00 0.00 N ATOM 31 CA GLY A 4 13.594 -14.583 30.951 1.00 0.00 C ATOM 32 C GLY A 4 14.245 -15.298 29.766 1.00 0.00 C ATOM 33 O GLY A 4 15.402 -15.708 29.843 1.00 0.00 O ATOM 0 H GLY A 4 14.348 -16.038 32.257 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.520 -14.768 30.946 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.733 -13.506 30.852 1.00 0.00 H new ATOM 37 N SER A 5 13.474 -15.426 28.696 1.00 0.00 N ATOM 38 CA SER A 5 13.961 -16.084 27.496 1.00 0.00 C ATOM 39 C SER A 5 12.896 -16.029 26.400 1.00 0.00 C ATOM 40 O SER A 5 11.772 -16.489 26.597 1.00 0.00 O ATOM 41 CB SER A 5 14.351 -17.535 27.784 1.00 0.00 C ATOM 42 OG SER A 5 15.648 -17.848 27.283 1.00 0.00 O ATOM 0 H SER A 5 12.515 -15.085 28.635 1.00 0.00 H new ATOM 0 HA SER A 5 14.852 -15.557 27.155 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.325 -17.711 28.859 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.617 -18.204 27.334 1.00 0.00 H new ATOM 0 HG SER A 5 15.861 -18.782 27.488 1.00 0.00 H new ATOM 48 N SER A 6 13.286 -15.461 25.268 1.00 0.00 N ATOM 49 CA SER A 6 12.379 -15.340 24.140 1.00 0.00 C ATOM 50 C SER A 6 13.051 -14.559 23.009 1.00 0.00 C ATOM 51 O SER A 6 13.938 -13.743 23.255 1.00 0.00 O ATOM 52 CB SER A 6 11.074 -14.656 24.553 1.00 0.00 C ATOM 53 OG SER A 6 9.940 -15.491 24.331 1.00 0.00 O ATOM 0 H SER A 6 14.218 -15.080 25.108 1.00 0.00 H new ATOM 0 HA SER A 6 12.137 -16.343 23.788 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.124 -14.386 25.608 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.957 -13.729 23.992 1.00 0.00 H new ATOM 0 HG SER A 6 9.127 -15.019 24.609 1.00 0.00 H new ATOM 59 N GLY A 7 12.603 -14.837 21.793 1.00 0.00 N ATOM 60 CA GLY A 7 13.151 -14.171 20.623 1.00 0.00 C ATOM 61 C GLY A 7 12.905 -14.995 19.358 1.00 0.00 C ATOM 62 O GLY A 7 11.871 -15.650 19.230 1.00 0.00 O ATOM 0 H GLY A 7 11.867 -15.514 21.593 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.696 -13.186 20.514 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.221 -14.015 20.757 1.00 0.00 H new ATOM 66 N ALA A 8 13.873 -14.936 18.455 1.00 0.00 N ATOM 67 CA ALA A 8 13.774 -15.668 17.204 1.00 0.00 C ATOM 68 C ALA A 8 12.608 -15.115 16.383 1.00 0.00 C ATOM 69 O ALA A 8 11.524 -14.881 16.917 1.00 0.00 O ATOM 70 CB ALA A 8 13.623 -17.162 17.498 1.00 0.00 C ATOM 0 H ALA A 8 14.729 -14.393 18.565 1.00 0.00 H new ATOM 0 HA ALA A 8 14.681 -15.541 16.613 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.549 -17.712 16.560 1.00 0.00 H new ATOM 0 HB2 ALA A 8 14.491 -17.513 18.056 1.00 0.00 H new ATOM 0 HB3 ALA A 8 12.721 -17.327 18.088 1.00 0.00 H new ATOM 76 N THR A 9 12.869 -14.920 15.099 1.00 0.00 N ATOM 77 CA THR A 9 11.854 -14.397 14.200 1.00 0.00 C ATOM 78 C THR A 9 12.303 -14.547 12.745 1.00 0.00 C ATOM 79 O THR A 9 12.720 -13.575 12.117 1.00 0.00 O ATOM 80 CB THR A 9 11.567 -12.949 14.601 1.00 0.00 C ATOM 81 OG1 THR A 9 10.535 -12.540 13.708 1.00 0.00 O ATOM 82 CG2 THR A 9 12.732 -12.011 14.280 1.00 0.00 C ATOM 0 H THR A 9 13.769 -15.115 14.660 1.00 0.00 H new ATOM 0 HA THR A 9 10.925 -14.961 14.281 1.00 0.00 H new ATOM 0 HB THR A 9 11.349 -12.904 15.668 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.286 -11.612 13.899 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.476 -10.996 14.584 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.622 -12.338 14.818 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.929 -12.029 13.208 1.00 0.00 H new ATOM 90 N LEU A 10 12.202 -15.773 12.251 1.00 0.00 N ATOM 91 CA LEU A 10 12.592 -16.062 10.882 1.00 0.00 C ATOM 92 C LEU A 10 11.542 -16.969 10.238 1.00 0.00 C ATOM 93 O LEU A 10 11.169 -17.995 10.806 1.00 0.00 O ATOM 94 CB LEU A 10 14.010 -16.636 10.839 1.00 0.00 C ATOM 95 CG LEU A 10 15.103 -15.685 10.347 1.00 0.00 C ATOM 96 CD1 LEU A 10 16.487 -16.164 10.792 1.00 0.00 C ATOM 97 CD2 LEU A 10 15.023 -15.495 8.831 1.00 0.00 C ATOM 0 H LEU A 10 11.856 -16.577 12.775 1.00 0.00 H new ATOM 0 HA LEU A 10 12.626 -15.145 10.294 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.274 -16.975 11.841 1.00 0.00 H new ATOM 0 HB3 LEU A 10 14.005 -17.516 10.196 1.00 0.00 H new ATOM 0 HG LEU A 10 14.937 -14.709 10.803 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.246 -15.471 10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.525 -16.207 11.881 1.00 0.00 H new ATOM 0 HD13 LEU A 10 16.677 -17.156 10.383 1.00 0.00 H new ATOM 0 HD21 LEU A 10 15.811 -14.815 8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 10 15.149 -16.458 8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.052 -15.077 8.568 1.00 0.00 H new ATOM 109 N LYS A 11 11.094 -16.559 9.060 1.00 0.00 N ATOM 110 CA LYS A 11 10.094 -17.322 8.333 1.00 0.00 C ATOM 111 C LYS A 11 9.919 -16.724 6.936 1.00 0.00 C ATOM 112 O LYS A 11 10.061 -15.516 6.751 1.00 0.00 O ATOM 113 CB LYS A 11 8.793 -17.402 9.135 1.00 0.00 C ATOM 114 CG LYS A 11 8.025 -16.081 9.066 1.00 0.00 C ATOM 115 CD LYS A 11 7.372 -15.756 10.412 1.00 0.00 C ATOM 116 CE LYS A 11 8.418 -15.314 11.436 1.00 0.00 C ATOM 117 NZ LYS A 11 8.479 -13.837 11.511 1.00 0.00 N ATOM 0 H LYS A 11 11.405 -15.708 8.591 1.00 0.00 H new ATOM 0 HA LYS A 11 10.423 -18.353 8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.171 -18.209 8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.016 -17.643 10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.703 -15.276 8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.260 -16.141 8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.631 -14.967 10.280 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.841 -16.633 10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.172 -15.724 12.416 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.395 -15.711 11.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.157 -13.554 12.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.785 -13.455 10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.538 -13.462 11.746 1.00 0.00 H new ATOM 131 N GLN A 12 9.613 -17.597 5.987 1.00 0.00 N ATOM 132 CA GLN A 12 9.418 -17.170 4.612 1.00 0.00 C ATOM 133 C GLN A 12 8.003 -17.517 4.145 1.00 0.00 C ATOM 134 O GLN A 12 7.808 -18.482 3.407 1.00 0.00 O ATOM 135 CB GLN A 12 10.468 -17.793 3.690 1.00 0.00 C ATOM 136 CG GLN A 12 11.494 -16.750 3.244 1.00 0.00 C ATOM 137 CD GLN A 12 12.643 -17.405 2.475 1.00 0.00 C ATOM 138 OE1 GLN A 12 13.739 -17.585 2.980 1.00 0.00 O ATOM 139 NE2 GLN A 12 12.333 -17.749 1.228 1.00 0.00 N ATOM 0 H GLN A 12 9.495 -18.598 6.143 1.00 0.00 H new ATOM 0 HA GLN A 12 9.540 -16.088 4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.974 -18.608 4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.980 -18.225 2.816 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.009 -16.004 2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.887 -16.226 4.115 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.396 -17.570 0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 12 13.032 -18.192 0.632 1.00 0.00 H new ATOM 148 N LEU A 13 7.051 -16.711 4.594 1.00 0.00 N ATOM 149 CA LEU A 13 5.660 -16.921 4.231 1.00 0.00 C ATOM 150 C LEU A 13 5.015 -15.573 3.900 1.00 0.00 C ATOM 151 O LEU A 13 5.102 -14.630 4.684 1.00 0.00 O ATOM 152 CB LEU A 13 4.931 -17.698 5.329 1.00 0.00 C ATOM 153 CG LEU A 13 3.731 -18.532 4.876 1.00 0.00 C ATOM 154 CD1 LEU A 13 2.906 -17.781 3.829 1.00 0.00 C ATOM 155 CD2 LEU A 13 4.176 -19.908 4.377 1.00 0.00 C ATOM 0 H LEU A 13 7.216 -15.912 5.206 1.00 0.00 H new ATOM 0 HA LEU A 13 5.589 -17.538 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.647 -18.361 5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.591 -16.989 6.084 1.00 0.00 H new ATOM 0 HG LEU A 13 3.084 -18.697 5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.059 -18.396 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.541 -16.846 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.529 -17.565 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.304 -20.480 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.855 -19.787 3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.687 -20.439 5.181 1.00 0.00 H new ATOM 167 N ASP A 14 4.383 -15.526 2.736 1.00 0.00 N ATOM 168 CA ASP A 14 3.724 -14.309 2.292 1.00 0.00 C ATOM 169 C ASP A 14 4.769 -13.347 1.724 1.00 0.00 C ATOM 170 O ASP A 14 5.937 -13.398 2.104 1.00 0.00 O ATOM 171 CB ASP A 14 3.018 -13.609 3.454 1.00 0.00 C ATOM 172 CG ASP A 14 3.674 -12.307 3.919 1.00 0.00 C ATOM 173 OD1 ASP A 14 4.910 -12.328 4.101 1.00 0.00 O ATOM 174 OD2 ASP A 14 2.924 -11.320 4.080 1.00 0.00 O ATOM 0 H ASP A 14 4.313 -16.310 2.087 1.00 0.00 H new ATOM 0 HA ASP A 14 2.988 -14.581 1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.990 -13.396 3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.971 -14.297 4.298 1.00 0.00 H new ATOM 179 N GLY A 15 4.310 -12.491 0.822 1.00 0.00 N ATOM 180 CA GLY A 15 5.190 -11.518 0.198 1.00 0.00 C ATOM 181 C GLY A 15 4.665 -10.095 0.399 1.00 0.00 C ATOM 182 O GLY A 15 4.865 -9.230 -0.452 1.00 0.00 O ATOM 0 H GLY A 15 3.340 -12.451 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.191 -11.603 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.276 -11.731 -0.868 1.00 0.00 H new ATOM 186 N ILE A 16 4.004 -9.897 1.530 1.00 0.00 N ATOM 187 CA ILE A 16 3.448 -8.594 1.853 1.00 0.00 C ATOM 188 C ILE A 16 4.277 -7.954 2.969 1.00 0.00 C ATOM 189 O ILE A 16 4.384 -8.507 4.062 1.00 0.00 O ATOM 190 CB ILE A 16 1.959 -8.713 2.183 1.00 0.00 C ATOM 191 CG1 ILE A 16 1.326 -9.893 1.443 1.00 0.00 C ATOM 192 CG2 ILE A 16 1.228 -7.399 1.900 1.00 0.00 C ATOM 193 CD1 ILE A 16 1.560 -9.783 -0.065 1.00 0.00 C ATOM 0 H ILE A 16 3.841 -10.617 2.234 1.00 0.00 H new ATOM 0 HA ILE A 16 3.507 -7.930 0.991 1.00 0.00 H new ATOM 0 HB ILE A 16 1.860 -8.912 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.748 -10.828 1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.256 -9.923 1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.171 -7.511 2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.658 -6.605 2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.333 -7.144 0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.100 -10.634 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.116 -8.859 -0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.631 -9.777 -0.268 1.00 0.00 H new ATOM 205 N HIS A 17 4.841 -6.797 2.655 1.00 0.00 N ATOM 206 CA HIS A 17 5.656 -6.076 3.618 1.00 0.00 C ATOM 207 C HIS A 17 5.056 -4.690 3.862 1.00 0.00 C ATOM 208 O HIS A 17 4.933 -3.890 2.936 1.00 0.00 O ATOM 209 CB HIS A 17 7.114 -6.018 3.159 1.00 0.00 C ATOM 210 CG HIS A 17 8.083 -5.611 4.244 1.00 0.00 C ATOM 211 ND1 HIS A 17 8.881 -6.521 4.915 1.00 0.00 N ATOM 212 CD2 HIS A 17 8.375 -4.385 4.765 1.00 0.00 C ATOM 213 CE1 HIS A 17 9.615 -5.861 5.799 1.00 0.00 C ATOM 214 NE2 HIS A 17 9.299 -4.538 5.705 1.00 0.00 N ATOM 0 H HIS A 17 4.750 -6.341 1.747 1.00 0.00 H new ATOM 0 HA HIS A 17 5.656 -6.607 4.570 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.403 -6.997 2.776 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.196 -5.315 2.330 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.930 -3.448 4.464 1.00 0.00 H new ATOM 0 HE1 HIS A 17 10.337 -6.295 6.475 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.706 -3.789 6.265 1.00 0.00 H new ATOM 222 N VAL A 18 4.698 -4.448 5.115 1.00 0.00 N ATOM 223 CA VAL A 18 4.114 -3.172 5.493 1.00 0.00 C ATOM 224 C VAL A 18 5.189 -2.086 5.434 1.00 0.00 C ATOM 225 O VAL A 18 6.363 -2.355 5.685 1.00 0.00 O ATOM 226 CB VAL A 18 3.454 -3.286 6.869 1.00 0.00 C ATOM 227 CG1 VAL A 18 3.088 -1.906 7.417 1.00 0.00 C ATOM 228 CG2 VAL A 18 2.226 -4.198 6.814 1.00 0.00 C ATOM 0 H VAL A 18 4.801 -5.114 5.881 1.00 0.00 H new ATOM 0 HA VAL A 18 3.328 -2.889 4.792 1.00 0.00 H new ATOM 0 HB VAL A 18 4.175 -3.736 7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.621 -2.015 8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.990 -1.301 7.511 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.392 -1.417 6.735 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.776 -4.262 7.805 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.500 -3.789 6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.526 -5.193 6.487 1.00 0.00 H new ATOM 238 N THR A 19 4.751 -0.881 5.101 1.00 0.00 N ATOM 239 CA THR A 19 5.661 0.247 5.006 1.00 0.00 C ATOM 240 C THR A 19 5.178 1.399 5.891 1.00 0.00 C ATOM 241 O THR A 19 4.244 2.113 5.531 1.00 0.00 O ATOM 242 CB THR A 19 5.790 0.628 3.530 1.00 0.00 C ATOM 243 OG1 THR A 19 6.645 -0.374 2.986 1.00 0.00 O ATOM 244 CG2 THR A 19 6.567 1.931 3.327 1.00 0.00 C ATOM 0 H THR A 19 3.777 -0.661 4.893 1.00 0.00 H new ATOM 0 HA THR A 19 6.652 -0.013 5.377 1.00 0.00 H new ATOM 0 HB THR A 19 4.796 0.726 3.093 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.509 -0.352 3.447 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.629 2.155 2.262 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.054 2.744 3.840 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.572 1.822 3.734 1.00 0.00 H new ATOM 252 N ILE A 20 5.837 1.543 7.031 1.00 0.00 N ATOM 253 CA ILE A 20 5.487 2.595 7.970 1.00 0.00 C ATOM 254 C ILE A 20 6.398 3.803 7.739 1.00 0.00 C ATOM 255 O ILE A 20 7.605 3.725 7.960 1.00 0.00 O ATOM 256 CB ILE A 20 5.520 2.065 9.405 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.511 0.932 9.595 1.00 0.00 C ATOM 258 CG2 ILE A 20 5.307 3.197 10.412 1.00 0.00 C ATOM 259 CD1 ILE A 20 3.081 1.474 9.650 1.00 0.00 C ATOM 0 H ILE A 20 6.612 0.949 7.326 1.00 0.00 H new ATOM 0 HA ILE A 20 4.464 2.931 7.802 1.00 0.00 H new ATOM 0 HB ILE A 20 6.510 1.649 9.592 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.602 0.218 8.776 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.735 0.392 10.515 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.335 2.794 11.424 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.096 3.940 10.296 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.339 3.665 10.234 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.384 0.647 9.786 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.987 2.169 10.485 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.852 1.993 8.719 1.00 0.00 H new ATOM 271 N LEU A 21 5.784 4.891 7.298 1.00 0.00 N ATOM 272 CA LEU A 21 6.524 6.113 7.034 1.00 0.00 C ATOM 273 C LEU A 21 6.225 7.132 8.135 1.00 0.00 C ATOM 274 O LEU A 21 5.067 7.474 8.372 1.00 0.00 O ATOM 275 CB LEU A 21 6.226 6.626 5.624 1.00 0.00 C ATOM 276 CG LEU A 21 6.493 5.643 4.482 1.00 0.00 C ATOM 277 CD1 LEU A 21 7.767 4.836 4.739 1.00 0.00 C ATOM 278 CD2 LEU A 21 5.281 4.740 4.242 1.00 0.00 C ATOM 0 H LEU A 21 4.782 4.952 7.117 1.00 0.00 H new ATOM 0 HA LEU A 21 7.597 5.922 7.058 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.179 6.926 5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.821 7.523 5.452 1.00 0.00 H new ATOM 0 HG LEU A 21 6.654 6.216 3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.933 4.145 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.617 5.514 4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.660 4.273 5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.497 4.051 3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.065 4.173 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.417 5.352 3.982 1.00 0.00 H new ATOM 290 N HIS A 22 7.289 7.589 8.779 1.00 0.00 N ATOM 291 CA HIS A 22 7.155 8.562 9.850 1.00 0.00 C ATOM 292 C HIS A 22 7.390 9.969 9.297 1.00 0.00 C ATOM 293 O HIS A 22 8.531 10.370 9.074 1.00 0.00 O ATOM 294 CB HIS A 22 8.087 8.220 11.015 1.00 0.00 C ATOM 295 CG HIS A 22 8.170 6.744 11.322 1.00 0.00 C ATOM 296 ND1 HIS A 22 7.383 6.133 12.282 1.00 0.00 N ATOM 297 CD2 HIS A 22 8.953 5.764 10.786 1.00 0.00 C ATOM 298 CE1 HIS A 22 7.688 4.844 12.314 1.00 0.00 C ATOM 299 NE2 HIS A 22 8.662 4.618 11.387 1.00 0.00 N ATOM 0 H HIS A 22 8.248 7.303 8.580 1.00 0.00 H new ATOM 0 HA HIS A 22 6.142 8.530 10.250 1.00 0.00 H new ATOM 0 HB2 HIS A 22 9.087 8.590 10.788 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.747 8.747 11.906 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.686 5.899 10.004 1.00 0.00 H new ATOM 0 HE1 HIS A 22 7.243 4.102 12.961 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.095 3.716 11.188 1.00 0.00 H new ATOM 307 N LYS A 23 6.291 10.680 9.091 1.00 0.00 N ATOM 308 CA LYS A 23 6.362 12.034 8.568 1.00 0.00 C ATOM 309 C LYS A 23 5.598 12.976 9.499 1.00 0.00 C ATOM 310 O LYS A 23 5.132 12.564 10.560 1.00 0.00 O ATOM 311 CB LYS A 23 5.876 12.074 7.118 1.00 0.00 C ATOM 312 CG LYS A 23 4.354 12.211 7.053 1.00 0.00 C ATOM 313 CD LYS A 23 3.747 11.160 6.122 1.00 0.00 C ATOM 314 CE LYS A 23 2.226 11.100 6.278 1.00 0.00 C ATOM 315 NZ LYS A 23 1.659 12.466 6.345 1.00 0.00 N ATOM 0 H LYS A 23 5.346 10.344 9.277 1.00 0.00 H new ATOM 0 HA LYS A 23 7.396 12.379 8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.342 12.910 6.597 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.185 11.165 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.933 12.103 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.090 13.209 6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.001 11.395 5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.177 10.183 6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.789 10.559 5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.968 10.548 7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.633 12.425 6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.841 12.872 7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.104 13.063 5.618 1.00 0.00 H new ATOM 329 N GLU A 24 5.493 14.225 9.069 1.00 0.00 N ATOM 330 CA GLU A 24 4.793 15.230 9.851 1.00 0.00 C ATOM 331 C GLU A 24 3.481 15.618 9.164 1.00 0.00 C ATOM 332 O GLU A 24 3.362 15.519 7.944 1.00 0.00 O ATOM 333 CB GLU A 24 5.675 16.458 10.081 1.00 0.00 C ATOM 334 CG GLU A 24 6.783 16.155 11.092 1.00 0.00 C ATOM 335 CD GLU A 24 7.117 17.394 11.927 1.00 0.00 C ATOM 336 OE1 GLU A 24 6.168 17.954 12.516 1.00 0.00 O ATOM 337 OE2 GLU A 24 8.314 17.752 11.956 1.00 0.00 O ATOM 0 H GLU A 24 5.881 14.564 8.189 1.00 0.00 H new ATOM 0 HA GLU A 24 4.558 14.805 10.827 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.116 16.775 9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.065 17.286 10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.469 15.343 11.748 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.676 15.814 10.568 1.00 0.00 H new ATOM 344 N GLU A 25 2.531 16.052 9.978 1.00 0.00 N ATOM 345 CA GLU A 25 1.233 16.456 9.465 1.00 0.00 C ATOM 346 C GLU A 25 1.400 17.503 8.361 1.00 0.00 C ATOM 347 O GLU A 25 1.649 18.674 8.644 1.00 0.00 O ATOM 348 CB GLU A 25 0.338 16.983 10.589 1.00 0.00 C ATOM 349 CG GLU A 25 1.022 18.124 11.345 1.00 0.00 C ATOM 350 CD GLU A 25 0.367 18.348 12.710 1.00 0.00 C ATOM 351 OE1 GLU A 25 -0.882 18.335 12.748 1.00 0.00 O ATOM 352 OE2 GLU A 25 1.131 18.526 13.683 1.00 0.00 O ATOM 0 H GLU A 25 2.634 16.133 10.990 1.00 0.00 H new ATOM 0 HA GLU A 25 0.745 15.580 9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.607 17.333 10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.102 16.174 11.280 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.079 17.894 11.478 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.966 19.040 10.756 1.00 0.00 H new ATOM 359 N GLY A 26 1.257 17.042 7.127 1.00 0.00 N ATOM 360 CA GLY A 26 1.390 17.924 5.980 1.00 0.00 C ATOM 361 C GLY A 26 2.821 17.909 5.439 1.00 0.00 C ATOM 362 O GLY A 26 3.269 18.880 4.831 1.00 0.00 O ATOM 0 H GLY A 26 1.051 16.070 6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.698 17.614 5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.116 18.940 6.264 1.00 0.00 H new ATOM 366 N ALA A 27 3.499 16.796 5.681 1.00 0.00 N ATOM 367 CA ALA A 27 4.871 16.642 5.225 1.00 0.00 C ATOM 368 C ALA A 27 4.876 15.938 3.867 1.00 0.00 C ATOM 369 O ALA A 27 5.732 16.211 3.026 1.00 0.00 O ATOM 370 CB ALA A 27 5.676 15.881 6.280 1.00 0.00 C ATOM 0 H ALA A 27 3.124 15.993 6.186 1.00 0.00 H new ATOM 0 HA ALA A 27 5.344 17.615 5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.705 15.765 5.939 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.665 16.437 7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.233 14.898 6.437 1.00 0.00 H new ATOM 376 N GLY A 28 3.912 15.045 3.695 1.00 0.00 N ATOM 377 CA GLY A 28 3.796 14.300 2.454 1.00 0.00 C ATOM 378 C GLY A 28 4.382 12.894 2.601 1.00 0.00 C ATOM 379 O GLY A 28 5.091 12.611 3.565 1.00 0.00 O ATOM 0 H GLY A 28 3.204 14.821 4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.748 14.232 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.314 14.832 1.656 1.00 0.00 H new ATOM 383 N LEU A 29 4.063 12.050 1.630 1.00 0.00 N ATOM 384 CA LEU A 29 4.550 10.681 1.640 1.00 0.00 C ATOM 385 C LEU A 29 5.833 10.594 0.811 1.00 0.00 C ATOM 386 O LEU A 29 6.824 10.015 1.254 1.00 0.00 O ATOM 387 CB LEU A 29 3.453 9.720 1.177 1.00 0.00 C ATOM 388 CG LEU A 29 2.020 10.109 1.547 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.012 9.130 0.941 1.00 0.00 C ATOM 390 CD2 LEU A 29 1.859 10.232 3.063 1.00 0.00 C ATOM 0 H LEU A 29 3.474 12.288 0.832 1.00 0.00 H new ATOM 0 HA LEU A 29 4.804 10.374 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.514 9.626 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.660 8.735 1.595 1.00 0.00 H new ATOM 0 HG LEU A 29 1.812 11.090 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.002 9.429 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.106 9.136 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.209 8.126 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.832 10.509 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.094 9.277 3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.537 10.998 3.440 1.00 0.00 H new ATOM 402 N GLY A 30 5.774 11.180 -0.376 1.00 0.00 N ATOM 403 CA GLY A 30 6.919 11.176 -1.270 1.00 0.00 C ATOM 404 C GLY A 30 6.592 10.452 -2.578 1.00 0.00 C ATOM 405 O GLY A 30 7.401 10.440 -3.504 1.00 0.00 O ATOM 0 H GLY A 30 4.951 11.661 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.221 12.201 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.764 10.689 -0.782 1.00 0.00 H new ATOM 409 N PHE A 31 5.403 9.867 -2.611 1.00 0.00 N ATOM 410 CA PHE A 31 4.959 9.143 -3.790 1.00 0.00 C ATOM 411 C PHE A 31 3.505 9.482 -4.125 1.00 0.00 C ATOM 412 O PHE A 31 2.816 10.127 -3.337 1.00 0.00 O ATOM 413 CB PHE A 31 5.061 7.652 -3.464 1.00 0.00 C ATOM 414 CG PHE A 31 3.907 7.121 -2.609 1.00 0.00 C ATOM 415 CD1 PHE A 31 3.806 7.485 -1.303 1.00 0.00 C ATOM 416 CD2 PHE A 31 2.984 6.287 -3.156 1.00 0.00 C ATOM 417 CE1 PHE A 31 2.736 6.993 -0.510 1.00 0.00 C ATOM 418 CE2 PHE A 31 1.914 5.794 -2.363 1.00 0.00 C ATOM 419 CZ PHE A 31 1.813 6.158 -1.056 1.00 0.00 C ATOM 0 H PHE A 31 4.734 9.880 -1.841 1.00 0.00 H new ATOM 0 HA PHE A 31 5.574 9.414 -4.648 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.098 7.088 -4.396 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.000 7.468 -2.943 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.540 8.148 -0.869 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.064 5.999 -4.194 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.655 7.282 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.181 5.130 -2.797 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.999 5.783 -0.452 1.00 0.00 H new ATOM 429 N SER A 32 3.081 9.030 -5.296 1.00 0.00 N ATOM 430 CA SER A 32 1.721 9.277 -5.746 1.00 0.00 C ATOM 431 C SER A 32 1.055 7.960 -6.146 1.00 0.00 C ATOM 432 O SER A 32 1.720 6.930 -6.252 1.00 0.00 O ATOM 433 CB SER A 32 1.698 10.261 -6.917 1.00 0.00 C ATOM 434 OG SER A 32 0.391 10.411 -7.463 1.00 0.00 O ATOM 0 H SER A 32 3.655 8.494 -5.947 1.00 0.00 H new ATOM 0 HA SER A 32 1.164 9.723 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.064 11.231 -6.582 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.378 9.914 -7.695 1.00 0.00 H new ATOM 0 HG SER A 32 0.418 11.048 -8.207 1.00 0.00 H new ATOM 440 N LEU A 33 -0.251 8.034 -6.358 1.00 0.00 N ATOM 441 CA LEU A 33 -1.015 6.860 -6.744 1.00 0.00 C ATOM 442 C LEU A 33 -1.141 6.818 -8.268 1.00 0.00 C ATOM 443 O LEU A 33 -1.006 7.843 -8.934 1.00 0.00 O ATOM 444 CB LEU A 33 -2.359 6.831 -6.014 1.00 0.00 C ATOM 445 CG LEU A 33 -2.293 6.835 -4.486 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.467 6.061 -3.884 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.945 6.306 -3.994 1.00 0.00 C ATOM 0 H LEU A 33 -0.800 8.889 -6.270 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.496 5.951 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.943 7.694 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.903 5.942 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.378 7.866 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.396 6.080 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.404 6.523 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.439 5.028 -4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.925 6.320 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.804 5.284 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.144 6.937 -4.380 1.00 0.00 H new ATOM 459 N ALA A 34 -1.399 5.621 -8.776 1.00 0.00 N ATOM 460 CA ALA A 34 -1.545 5.432 -10.209 1.00 0.00 C ATOM 461 C ALA A 34 -2.702 4.467 -10.476 1.00 0.00 C ATOM 462 O ALA A 34 -2.995 3.601 -9.654 1.00 0.00 O ATOM 463 CB ALA A 34 -0.223 4.934 -10.796 1.00 0.00 C ATOM 0 H ALA A 34 -1.511 4.773 -8.220 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.783 6.376 -10.698 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.333 4.792 -11.871 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.560 5.668 -10.605 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.047 3.986 -10.331 1.00 0.00 H new ATOM 469 N GLY A 35 -3.328 4.649 -11.630 1.00 0.00 N ATOM 470 CA GLY A 35 -4.446 3.806 -12.016 1.00 0.00 C ATOM 471 C GLY A 35 -5.689 4.130 -11.186 1.00 0.00 C ATOM 472 O GLY A 35 -5.635 4.957 -10.276 1.00 0.00 O ATOM 0 H GLY A 35 -3.082 5.368 -12.310 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.664 3.947 -13.075 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.179 2.758 -11.883 1.00 0.00 H new ATOM 476 N GLY A 36 -6.781 3.462 -11.528 1.00 0.00 N ATOM 477 CA GLY A 36 -8.036 3.668 -10.825 1.00 0.00 C ATOM 478 C GLY A 36 -9.005 2.513 -11.084 1.00 0.00 C ATOM 479 O GLY A 36 -8.597 1.443 -11.533 1.00 0.00 O ATOM 0 H GLY A 36 -6.823 2.777 -12.283 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.847 3.756 -9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.488 4.606 -11.148 1.00 0.00 H new ATOM 483 N ALA A 37 -10.272 2.768 -10.789 1.00 0.00 N ATOM 484 CA ALA A 37 -11.303 1.763 -10.984 1.00 0.00 C ATOM 485 C ALA A 37 -11.837 1.857 -12.414 1.00 0.00 C ATOM 486 O ALA A 37 -11.994 0.842 -13.090 1.00 0.00 O ATOM 487 CB ALA A 37 -12.403 1.950 -9.937 1.00 0.00 C ATOM 0 H ALA A 37 -10.607 3.656 -10.416 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.893 0.762 -10.851 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.176 1.196 -10.083 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.977 1.844 -8.939 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.840 2.943 -10.042 1.00 0.00 H new ATOM 493 N ASP A 38 -12.102 3.086 -12.833 1.00 0.00 N ATOM 494 CA ASP A 38 -12.615 3.326 -14.171 1.00 0.00 C ATOM 495 C ASP A 38 -11.494 3.109 -15.189 1.00 0.00 C ATOM 496 O ASP A 38 -11.757 2.926 -16.377 1.00 0.00 O ATOM 497 CB ASP A 38 -13.116 4.764 -14.319 1.00 0.00 C ATOM 498 CG ASP A 38 -13.582 5.146 -15.726 1.00 0.00 C ATOM 499 OD1 ASP A 38 -12.693 5.389 -16.571 1.00 0.00 O ATOM 500 OD2 ASP A 38 -14.815 5.185 -15.924 1.00 0.00 O ATOM 0 H ASP A 38 -11.971 3.926 -12.269 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.441 2.636 -14.344 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.942 4.918 -13.625 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.318 5.443 -14.020 1.00 0.00 H new ATOM 505 N LEU A 39 -10.269 3.136 -14.687 1.00 0.00 N ATOM 506 CA LEU A 39 -9.107 2.944 -15.539 1.00 0.00 C ATOM 507 C LEU A 39 -8.893 1.448 -15.773 1.00 0.00 C ATOM 508 O LEU A 39 -9.652 0.622 -15.267 1.00 0.00 O ATOM 509 CB LEU A 39 -7.887 3.655 -14.948 1.00 0.00 C ATOM 510 CG LEU A 39 -7.955 5.183 -14.909 1.00 0.00 C ATOM 511 CD1 LEU A 39 -9.213 5.657 -14.178 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.682 5.773 -14.299 1.00 0.00 C ATOM 0 H LEU A 39 -10.055 3.288 -13.701 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.271 3.399 -16.516 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.737 3.292 -13.931 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.008 3.365 -15.523 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.021 5.548 -15.934 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.237 6.747 -14.164 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.097 5.281 -14.693 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.202 5.282 -13.155 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.756 6.860 -14.283 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.561 5.403 -13.281 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.821 5.477 -14.898 1.00 0.00 H new ATOM 524 N GLU A 40 -7.856 1.143 -16.539 1.00 0.00 N ATOM 525 CA GLU A 40 -7.532 -0.239 -16.846 1.00 0.00 C ATOM 526 C GLU A 40 -6.956 -0.936 -15.612 1.00 0.00 C ATOM 527 O GLU A 40 -7.238 -2.108 -15.368 1.00 0.00 O ATOM 528 CB GLU A 40 -6.564 -0.327 -18.028 1.00 0.00 C ATOM 529 CG GLU A 40 -5.231 0.345 -17.695 1.00 0.00 C ATOM 530 CD GLU A 40 -4.287 0.319 -18.899 1.00 0.00 C ATOM 531 OE1 GLU A 40 -4.443 1.210 -19.762 1.00 0.00 O ATOM 532 OE2 GLU A 40 -3.432 -0.592 -18.930 1.00 0.00 O ATOM 0 H GLU A 40 -7.229 1.831 -16.956 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.450 -0.751 -17.133 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.394 -1.372 -18.287 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.007 0.150 -18.902 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.406 1.376 -17.388 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.764 -0.164 -16.851 1.00 0.00 H new ATOM 539 N ASN A 41 -6.157 -0.186 -14.867 1.00 0.00 N ATOM 540 CA ASN A 41 -5.539 -0.717 -13.664 1.00 0.00 C ATOM 541 C ASN A 41 -6.507 -0.568 -12.489 1.00 0.00 C ATOM 542 O ASN A 41 -6.447 0.413 -11.750 1.00 0.00 O ATOM 543 CB ASN A 41 -4.258 0.046 -13.321 1.00 0.00 C ATOM 544 CG ASN A 41 -3.188 -0.166 -14.394 1.00 0.00 C ATOM 545 OD1 ASN A 41 -2.964 -1.265 -14.875 1.00 0.00 O ATOM 546 ND2 ASN A 41 -2.543 0.944 -14.741 1.00 0.00 N ATOM 0 H ASN A 41 -5.923 0.785 -15.073 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.298 -1.765 -13.843 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.478 1.109 -13.227 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.880 -0.287 -12.355 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.811 0.908 -15.450 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.781 1.832 -14.298 1.00 0.00 H new ATOM 553 N LYS A 42 -7.378 -1.557 -12.353 1.00 0.00 N ATOM 554 CA LYS A 42 -8.359 -1.549 -11.281 1.00 0.00 C ATOM 555 C LYS A 42 -7.643 -1.350 -9.943 1.00 0.00 C ATOM 556 O LYS A 42 -8.145 -0.651 -9.064 1.00 0.00 O ATOM 557 CB LYS A 42 -9.222 -2.811 -11.334 1.00 0.00 C ATOM 558 CG LYS A 42 -10.314 -2.774 -10.263 1.00 0.00 C ATOM 559 CD LYS A 42 -11.250 -1.583 -10.475 1.00 0.00 C ATOM 560 CE LYS A 42 -12.715 -2.025 -10.454 1.00 0.00 C ATOM 561 NZ LYS A 42 -13.026 -2.726 -9.189 1.00 0.00 N ATOM 0 H LYS A 42 -7.425 -2.370 -12.968 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.049 -0.714 -11.402 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.678 -2.903 -12.320 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.595 -3.691 -11.189 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.887 -3.701 -10.291 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.858 -2.711 -9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.080 -0.839 -9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.025 -1.104 -11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.365 -1.157 -10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.915 -2.683 -11.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.034 -2.603 -8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.815 -3.739 -9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.448 -2.329 -8.421 1.00 0.00 H new ATOM 575 N VAL A 43 -6.481 -1.977 -9.831 1.00 0.00 N ATOM 576 CA VAL A 43 -5.691 -1.878 -8.616 1.00 0.00 C ATOM 577 C VAL A 43 -4.724 -0.699 -8.736 1.00 0.00 C ATOM 578 O VAL A 43 -3.860 -0.687 -9.612 1.00 0.00 O ATOM 579 CB VAL A 43 -4.983 -3.206 -8.341 1.00 0.00 C ATOM 580 CG1 VAL A 43 -4.274 -3.719 -9.597 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.004 -3.075 -7.173 1.00 0.00 C ATOM 0 H VAL A 43 -6.068 -2.556 -10.562 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.335 -1.685 -7.758 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.741 -3.938 -8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.779 -4.664 -9.375 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.005 -3.870 -10.391 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.533 -2.988 -9.921 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.515 -4.033 -6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.253 -2.322 -7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.546 -2.776 -6.276 1.00 0.00 H new ATOM 591 N ILE A 44 -4.901 0.265 -7.844 1.00 0.00 N ATOM 592 CA ILE A 44 -4.055 1.446 -7.839 1.00 0.00 C ATOM 593 C ILE A 44 -2.617 1.036 -7.515 1.00 0.00 C ATOM 594 O ILE A 44 -2.386 0.225 -6.619 1.00 0.00 O ATOM 595 CB ILE A 44 -4.621 2.507 -6.893 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.826 3.211 -7.517 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.535 3.497 -6.467 1.00 0.00 C ATOM 598 CD1 ILE A 44 -7.000 2.244 -7.686 1.00 0.00 C ATOM 0 H ILE A 44 -5.619 0.252 -7.119 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.040 1.909 -8.826 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.973 2.007 -5.990 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.128 4.049 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.548 3.624 -8.487 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.964 4.240 -5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.736 2.962 -5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.131 3.995 -7.348 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.844 2.771 -8.132 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.702 1.420 -8.335 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.291 1.851 -6.712 1.00 0.00 H new ATOM 610 N THR A 45 -1.688 1.615 -8.261 1.00 0.00 N ATOM 611 CA THR A 45 -0.279 1.320 -8.063 1.00 0.00 C ATOM 612 C THR A 45 0.506 2.610 -7.813 1.00 0.00 C ATOM 613 O THR A 45 -0.037 3.706 -7.944 1.00 0.00 O ATOM 614 CB THR A 45 0.215 0.535 -9.280 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.478 1.123 -10.377 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.264 -0.918 -9.272 1.00 0.00 C ATOM 0 H THR A 45 -1.883 2.287 -9.003 1.00 0.00 H new ATOM 0 HA THR A 45 -0.124 0.705 -7.176 1.00 0.00 H new ATOM 0 HB THR A 45 1.304 0.558 -9.310 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.215 0.675 -11.208 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.114 -1.431 -10.157 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.106 -1.418 -8.377 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.354 -0.942 -9.277 1.00 0.00 H new ATOM 624 N VAL A 46 1.771 2.436 -7.459 1.00 0.00 N ATOM 625 CA VAL A 46 2.635 3.572 -7.189 1.00 0.00 C ATOM 626 C VAL A 46 3.034 4.229 -8.512 1.00 0.00 C ATOM 627 O VAL A 46 3.908 3.730 -9.219 1.00 0.00 O ATOM 628 CB VAL A 46 3.839 3.128 -6.356 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.708 4.325 -5.966 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.392 2.348 -5.118 1.00 0.00 C ATOM 0 H VAL A 46 2.218 1.525 -7.353 1.00 0.00 H new ATOM 0 HA VAL A 46 2.107 4.321 -6.599 1.00 0.00 H new ATOM 0 HB VAL A 46 4.444 2.462 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.557 3.981 -5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.070 4.820 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.117 5.028 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.267 2.044 -4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.754 2.980 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.836 1.463 -5.427 1.00 0.00 H new ATOM 640 N HIS A 47 2.373 5.339 -8.808 1.00 0.00 N ATOM 641 CA HIS A 47 2.647 6.070 -10.033 1.00 0.00 C ATOM 642 C HIS A 47 4.136 6.416 -10.102 1.00 0.00 C ATOM 643 O HIS A 47 4.836 5.985 -11.017 1.00 0.00 O ATOM 644 CB HIS A 47 1.746 7.301 -10.145 1.00 0.00 C ATOM 645 CG HIS A 47 1.866 8.032 -11.461 1.00 0.00 C ATOM 646 ND1 HIS A 47 0.837 8.789 -11.994 1.00 0.00 N ATOM 647 CD2 HIS A 47 2.902 8.115 -12.344 1.00 0.00 C ATOM 648 CE1 HIS A 47 1.247 9.299 -13.146 1.00 0.00 C ATOM 649 NE2 HIS A 47 2.527 8.879 -13.361 1.00 0.00 N ATOM 0 H HIS A 47 1.648 5.750 -8.220 1.00 0.00 H new ATOM 0 HA HIS A 47 2.415 5.443 -10.894 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.710 6.994 -10.005 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.987 7.990 -9.335 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.865 7.639 -12.234 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.669 9.935 -13.800 1.00 0.00 H new ATOM 0 HE2 HIS A 47 3.101 9.114 -14.171 1.00 0.00 H new ATOM 657 N ARG A 48 4.576 7.192 -9.122 1.00 0.00 N ATOM 658 CA ARG A 48 5.969 7.601 -9.060 1.00 0.00 C ATOM 659 C ARG A 48 6.402 7.790 -7.605 1.00 0.00 C ATOM 660 O ARG A 48 5.576 8.075 -6.739 1.00 0.00 O ATOM 661 CB ARG A 48 6.194 8.907 -9.825 1.00 0.00 C ATOM 662 CG ARG A 48 7.146 8.694 -11.004 1.00 0.00 C ATOM 663 CD ARG A 48 6.368 8.450 -12.299 1.00 0.00 C ATOM 664 NE ARG A 48 7.288 8.496 -13.458 1.00 0.00 N ATOM 665 CZ ARG A 48 7.891 9.610 -13.895 1.00 0.00 C ATOM 666 NH1 ARG A 48 7.674 10.777 -13.273 1.00 0.00 N ATOM 667 NH2 ARG A 48 8.709 9.557 -14.954 1.00 0.00 N ATOM 0 H ARG A 48 3.993 7.548 -8.365 1.00 0.00 H new ATOM 0 HA ARG A 48 6.566 6.815 -9.522 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.240 9.289 -10.188 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.605 9.660 -9.153 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.788 9.567 -11.120 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.798 7.844 -10.801 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.871 7.481 -12.257 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.589 9.204 -12.412 1.00 0.00 H new ATOM 0 HE ARG A 48 7.475 7.625 -13.955 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.050 10.817 -12.467 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.133 11.625 -13.605 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.873 8.669 -15.428 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.168 10.405 -15.287 1.00 0.00 H new ATOM 681 N VAL A 49 7.697 7.622 -7.380 1.00 0.00 N ATOM 682 CA VAL A 49 8.250 7.770 -6.044 1.00 0.00 C ATOM 683 C VAL A 49 9.298 8.885 -6.052 1.00 0.00 C ATOM 684 O VAL A 49 10.452 8.654 -6.411 1.00 0.00 O ATOM 685 CB VAL A 49 8.805 6.431 -5.556 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.167 6.496 -4.071 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.817 5.295 -5.830 1.00 0.00 C ATOM 0 H VAL A 49 8.379 7.385 -8.100 1.00 0.00 H new ATOM 0 HA VAL A 49 7.472 8.060 -5.338 1.00 0.00 H new ATOM 0 HB VAL A 49 9.718 6.223 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.559 5.531 -3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.923 7.265 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.277 6.738 -3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.236 4.354 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.880 5.495 -5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.630 5.226 -6.902 1.00 0.00 H new ATOM 697 N PHE A 50 8.859 10.069 -5.651 1.00 0.00 N ATOM 698 CA PHE A 50 9.746 11.220 -5.607 1.00 0.00 C ATOM 699 C PHE A 50 11.134 10.823 -5.100 1.00 0.00 C ATOM 700 O PHE A 50 11.277 9.839 -4.377 1.00 0.00 O ATOM 701 CB PHE A 50 9.127 12.223 -4.632 1.00 0.00 C ATOM 702 CG PHE A 50 7.672 12.579 -4.944 1.00 0.00 C ATOM 703 CD1 PHE A 50 7.130 12.234 -6.143 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.921 13.240 -4.023 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.780 12.565 -6.433 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.570 13.570 -4.314 1.00 0.00 C ATOM 707 CZ PHE A 50 5.029 13.226 -5.513 1.00 0.00 C ATOM 0 H PHE A 50 7.901 10.256 -5.354 1.00 0.00 H new ATOM 0 HA PHE A 50 9.861 11.641 -6.606 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.182 11.814 -3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.723 13.136 -4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.726 11.708 -6.874 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.351 13.514 -3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.350 12.291 -7.385 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.973 14.094 -3.583 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.002 13.478 -5.734 1.00 0.00 H new ATOM 717 N PRO A 51 12.148 11.632 -5.511 1.00 0.00 N ATOM 718 CA PRO A 51 13.519 11.376 -5.106 1.00 0.00 C ATOM 719 C PRO A 51 13.745 11.776 -3.647 1.00 0.00 C ATOM 720 O PRO A 51 14.565 11.176 -2.954 1.00 0.00 O ATOM 721 CB PRO A 51 14.372 12.173 -6.079 1.00 0.00 C ATOM 722 CG PRO A 51 13.444 13.208 -6.695 1.00 0.00 C ATOM 723 CD PRO A 51 12.015 12.806 -6.367 1.00 0.00 C ATOM 0 HA PRO A 51 13.777 10.318 -5.144 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.206 12.652 -5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.799 11.526 -6.845 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.662 14.200 -6.299 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.589 13.257 -7.774 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.485 13.610 -5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.451 12.575 -7.271 1.00 0.00 H new ATOM 731 N ASN A 52 13.002 12.788 -3.223 1.00 0.00 N ATOM 732 CA ASN A 52 13.110 13.276 -1.858 1.00 0.00 C ATOM 733 C ASN A 52 11.786 13.037 -1.129 1.00 0.00 C ATOM 734 O ASN A 52 10.925 13.914 -1.096 1.00 0.00 O ATOM 735 CB ASN A 52 13.400 14.778 -1.832 1.00 0.00 C ATOM 736 CG ASN A 52 12.313 15.559 -2.573 1.00 0.00 C ATOM 737 OD1 ASN A 52 11.418 16.141 -1.982 1.00 0.00 O ATOM 738 ND2 ASN A 52 12.440 15.540 -3.897 1.00 0.00 N ATOM 0 H ASN A 52 12.323 13.283 -3.801 1.00 0.00 H new ATOM 0 HA ASN A 52 13.927 12.742 -1.373 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.461 15.122 -0.800 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.369 14.973 -2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.764 16.032 -4.481 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.213 15.033 -4.328 1.00 0.00 H new ATOM 745 N GLY A 53 11.666 11.845 -0.563 1.00 0.00 N ATOM 746 CA GLY A 53 10.462 11.479 0.163 1.00 0.00 C ATOM 747 C GLY A 53 10.737 10.333 1.139 1.00 0.00 C ATOM 748 O GLY A 53 11.887 9.947 1.340 1.00 0.00 O ATOM 0 H GLY A 53 12.383 11.120 -0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.085 12.344 0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.684 11.183 -0.541 1.00 0.00 H new ATOM 752 N LEU A 54 9.662 9.822 1.720 1.00 0.00 N ATOM 753 CA LEU A 54 9.773 8.728 2.670 1.00 0.00 C ATOM 754 C LEU A 54 9.627 7.398 1.929 1.00 0.00 C ATOM 755 O LEU A 54 10.453 6.501 2.089 1.00 0.00 O ATOM 756 CB LEU A 54 8.772 8.908 3.813 1.00 0.00 C ATOM 757 CG LEU A 54 8.626 10.330 4.360 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.165 10.783 4.326 1.00 0.00 C ATOM 759 CD2 LEU A 54 9.229 10.443 5.761 1.00 0.00 C ATOM 0 H LEU A 54 8.709 10.145 1.551 1.00 0.00 H new ATOM 0 HA LEU A 54 10.758 8.727 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.794 8.570 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.066 8.253 4.633 1.00 0.00 H new ATOM 0 HG LEU A 54 9.187 11.004 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.089 11.796 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.802 10.765 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.561 10.111 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.112 11.463 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.717 9.756 6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.289 10.191 5.722 1.00 0.00 H new ATOM 771 N ALA A 55 8.571 7.313 1.133 1.00 0.00 N ATOM 772 CA ALA A 55 8.307 6.107 0.367 1.00 0.00 C ATOM 773 C ALA A 55 9.586 5.674 -0.352 1.00 0.00 C ATOM 774 O ALA A 55 9.826 4.482 -0.535 1.00 0.00 O ATOM 775 CB ALA A 55 7.151 6.361 -0.603 1.00 0.00 C ATOM 0 H ALA A 55 7.888 8.060 1.002 1.00 0.00 H new ATOM 0 HA ALA A 55 8.007 5.292 1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.953 5.456 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.259 6.637 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.417 7.171 -1.282 1.00 0.00 H new ATOM 781 N SER A 56 10.374 6.666 -0.739 1.00 0.00 N ATOM 782 CA SER A 56 11.623 6.403 -1.433 1.00 0.00 C ATOM 783 C SER A 56 12.678 5.906 -0.442 1.00 0.00 C ATOM 784 O SER A 56 13.366 4.920 -0.705 1.00 0.00 O ATOM 785 CB SER A 56 12.124 7.653 -2.159 1.00 0.00 C ATOM 786 OG SER A 56 13.539 7.642 -2.327 1.00 0.00 O ATOM 0 H SER A 56 10.172 7.654 -0.585 1.00 0.00 H new ATOM 0 HA SER A 56 11.443 5.630 -2.180 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.644 7.722 -3.135 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.833 8.540 -1.597 1.00 0.00 H new ATOM 0 HG SER A 56 13.819 8.456 -2.796 1.00 0.00 H new ATOM 792 N GLN A 57 12.772 6.611 0.676 1.00 0.00 N ATOM 793 CA GLN A 57 13.732 6.254 1.707 1.00 0.00 C ATOM 794 C GLN A 57 13.573 4.781 2.092 1.00 0.00 C ATOM 795 O GLN A 57 14.563 4.071 2.265 1.00 0.00 O ATOM 796 CB GLN A 57 13.584 7.159 2.931 1.00 0.00 C ATOM 797 CG GLN A 57 14.381 8.453 2.755 1.00 0.00 C ATOM 798 CD GLN A 57 15.123 8.819 4.042 1.00 0.00 C ATOM 799 OE1 GLN A 57 14.547 9.292 5.008 1.00 0.00 O ATOM 800 NE2 GLN A 57 16.430 8.576 4.001 1.00 0.00 N ATOM 0 H GLN A 57 12.199 7.427 0.890 1.00 0.00 H new ATOM 0 HA GLN A 57 14.736 6.400 1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.531 7.394 3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.930 6.633 3.821 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.095 8.336 1.940 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.708 9.264 2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.849 8.179 3.160 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.014 8.787 4.810 1.00 0.00 H new ATOM 809 N GLU A 58 12.321 4.366 2.216 1.00 0.00 N ATOM 810 CA GLU A 58 12.021 2.992 2.577 1.00 0.00 C ATOM 811 C GLU A 58 12.539 2.034 1.502 1.00 0.00 C ATOM 812 O GLU A 58 13.318 1.129 1.796 1.00 0.00 O ATOM 813 CB GLU A 58 10.520 2.800 2.804 1.00 0.00 C ATOM 814 CG GLU A 58 10.259 1.869 3.989 1.00 0.00 C ATOM 815 CD GLU A 58 10.926 2.399 5.260 1.00 0.00 C ATOM 816 OE1 GLU A 58 10.938 3.638 5.420 1.00 0.00 O ATOM 817 OE2 GLU A 58 11.409 1.552 6.043 1.00 0.00 O ATOM 0 H GLU A 58 11.503 4.958 2.073 1.00 0.00 H new ATOM 0 HA GLU A 58 12.530 2.765 3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.050 3.766 2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.063 2.387 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.185 1.772 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.638 0.872 3.763 1.00 0.00 H new ATOM 824 N GLY A 59 12.087 2.268 0.279 1.00 0.00 N ATOM 825 CA GLY A 59 12.496 1.438 -0.841 1.00 0.00 C ATOM 826 C GLY A 59 11.470 0.335 -1.109 1.00 0.00 C ATOM 827 O GLY A 59 11.598 -0.415 -2.076 1.00 0.00 O ATOM 0 H GLY A 59 11.442 3.020 0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.613 2.055 -1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.468 0.992 -0.632 1.00 0.00 H new ATOM 831 N THR A 60 10.476 0.270 -0.236 1.00 0.00 N ATOM 832 CA THR A 60 9.429 -0.729 -0.366 1.00 0.00 C ATOM 833 C THR A 60 8.423 -0.310 -1.439 1.00 0.00 C ATOM 834 O THR A 60 8.016 -1.125 -2.266 1.00 0.00 O ATOM 835 CB THR A 60 8.798 -0.934 1.013 1.00 0.00 C ATOM 836 OG1 THR A 60 9.714 -1.789 1.691 1.00 0.00 O ATOM 837 CG2 THR A 60 7.505 -1.750 0.949 1.00 0.00 C ATOM 0 H THR A 60 10.373 0.893 0.565 1.00 0.00 H new ATOM 0 HA THR A 60 9.833 -1.685 -0.700 1.00 0.00 H new ATOM 0 HB THR A 60 8.594 0.036 1.466 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.383 -1.972 2.595 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.098 -1.866 1.953 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.779 -1.233 0.321 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.715 -2.733 0.527 1.00 0.00 H new ATOM 845 N ILE A 61 8.050 0.961 -1.391 1.00 0.00 N ATOM 846 CA ILE A 61 7.099 1.498 -2.349 1.00 0.00 C ATOM 847 C ILE A 61 7.848 1.962 -3.600 1.00 0.00 C ATOM 848 O ILE A 61 8.371 3.075 -3.637 1.00 0.00 O ATOM 849 CB ILE A 61 6.246 2.591 -1.702 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.696 2.129 -0.351 1.00 0.00 C ATOM 851 CG2 ILE A 61 5.134 3.050 -2.647 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.655 3.115 0.183 1.00 0.00 C ATOM 0 H ILE A 61 8.389 1.634 -0.704 1.00 0.00 H new ATOM 0 HA ILE A 61 6.399 0.725 -2.665 1.00 0.00 H new ATOM 0 HB ILE A 61 6.883 3.454 -1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.247 1.141 -0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.513 2.033 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.543 3.827 -2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.575 3.446 -3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.491 2.204 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.280 2.763 1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.114 4.096 0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.828 3.190 -0.524 1.00 0.00 H new ATOM 864 N GLN A 62 7.875 1.086 -4.594 1.00 0.00 N ATOM 865 CA GLN A 62 8.552 1.393 -5.843 1.00 0.00 C ATOM 866 C GLN A 62 7.531 1.580 -6.967 1.00 0.00 C ATOM 867 O GLN A 62 6.626 0.764 -7.130 1.00 0.00 O ATOM 868 CB GLN A 62 9.566 0.304 -6.198 1.00 0.00 C ATOM 869 CG GLN A 62 10.823 0.421 -5.334 1.00 0.00 C ATOM 870 CD GLN A 62 11.720 -0.807 -5.501 1.00 0.00 C ATOM 871 OE1 GLN A 62 12.728 -0.782 -6.189 1.00 0.00 O ATOM 872 NE2 GLN A 62 11.299 -1.879 -4.836 1.00 0.00 N ATOM 0 H GLN A 62 7.439 0.164 -4.560 1.00 0.00 H new ATOM 0 HA GLN A 62 9.100 2.327 -5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.114 -0.678 -6.058 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.836 0.383 -7.251 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.375 1.319 -5.609 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.540 0.529 -4.287 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.446 -1.831 -4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.829 -2.749 -4.883 1.00 0.00 H new ATOM 881 N LYS A 63 7.712 2.660 -7.713 1.00 0.00 N ATOM 882 CA LYS A 63 6.818 2.965 -8.817 1.00 0.00 C ATOM 883 C LYS A 63 6.409 1.664 -9.511 1.00 0.00 C ATOM 884 O LYS A 63 7.260 0.842 -9.849 1.00 0.00 O ATOM 885 CB LYS A 63 7.457 3.988 -9.758 1.00 0.00 C ATOM 886 CG LYS A 63 7.747 3.369 -11.126 1.00 0.00 C ATOM 887 CD LYS A 63 8.619 4.297 -11.974 1.00 0.00 C ATOM 888 CE LYS A 63 10.039 3.742 -12.111 1.00 0.00 C ATOM 889 NZ LYS A 63 11.029 4.841 -12.087 1.00 0.00 N ATOM 0 H LYS A 63 8.464 3.335 -7.575 1.00 0.00 H new ATOM 0 HA LYS A 63 5.905 3.432 -8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.792 4.844 -9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.383 4.361 -9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.249 2.410 -10.996 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.809 3.170 -11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.175 4.417 -12.962 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.654 5.286 -11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.243 3.043 -11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.129 3.183 -13.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.987 4.447 -12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.843 5.493 -12.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.953 5.357 -11.187 1.00 0.00 H new ATOM 903 N GLY A 64 5.106 1.516 -9.702 1.00 0.00 N ATOM 904 CA GLY A 64 4.574 0.329 -10.349 1.00 0.00 C ATOM 905 C GLY A 64 3.998 -0.645 -9.319 1.00 0.00 C ATOM 906 O GLY A 64 3.093 -1.418 -9.629 1.00 0.00 O ATOM 0 H GLY A 64 4.403 2.199 -9.420 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.798 0.614 -11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.362 -0.163 -10.919 1.00 0.00 H new ATOM 910 N ASN A 65 4.547 -0.576 -8.115 1.00 0.00 N ATOM 911 CA ASN A 65 4.100 -1.443 -7.038 1.00 0.00 C ATOM 912 C ASN A 65 2.571 -1.445 -6.993 1.00 0.00 C ATOM 913 O ASN A 65 1.928 -0.555 -7.548 1.00 0.00 O ATOM 914 CB ASN A 65 4.612 -0.947 -5.684 1.00 0.00 C ATOM 915 CG ASN A 65 5.610 -1.937 -5.080 1.00 0.00 C ATOM 916 OD1 ASN A 65 5.608 -2.213 -3.891 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.461 -2.454 -5.962 1.00 0.00 N ATOM 0 H ASN A 65 5.297 0.067 -7.862 1.00 0.00 H new ATOM 0 HA ASN A 65 4.489 -2.444 -7.226 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.088 0.026 -5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.773 -0.809 -5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.167 -3.125 -5.657 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.408 -2.180 -6.943 1.00 0.00 H new ATOM 924 N GLU A 66 2.032 -2.456 -6.327 1.00 0.00 N ATOM 925 CA GLU A 66 0.590 -2.586 -6.202 1.00 0.00 C ATOM 926 C GLU A 66 0.124 -2.053 -4.845 1.00 0.00 C ATOM 927 O GLU A 66 0.471 -2.609 -3.804 1.00 0.00 O ATOM 928 CB GLU A 66 0.151 -4.038 -6.401 1.00 0.00 C ATOM 929 CG GLU A 66 -1.231 -4.282 -5.790 1.00 0.00 C ATOM 930 CD GLU A 66 -1.880 -5.532 -6.386 1.00 0.00 C ATOM 931 OE1 GLU A 66 -1.762 -5.701 -7.618 1.00 0.00 O ATOM 932 OE2 GLU A 66 -2.480 -6.292 -5.594 1.00 0.00 O ATOM 0 H GLU A 66 2.568 -3.193 -5.868 1.00 0.00 H new ATOM 0 HA GLU A 66 0.122 -1.989 -6.985 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.128 -4.272 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.879 -4.708 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.140 -4.395 -4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.869 -3.416 -5.968 1.00 0.00 H new ATOM 939 N VAL A 67 -0.654 -0.982 -4.901 1.00 0.00 N ATOM 940 CA VAL A 67 -1.171 -0.369 -3.689 1.00 0.00 C ATOM 941 C VAL A 67 -2.481 -1.054 -3.294 1.00 0.00 C ATOM 942 O VAL A 67 -3.520 -0.815 -3.907 1.00 0.00 O ATOM 943 CB VAL A 67 -1.323 1.140 -3.891 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.977 1.793 -2.671 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.026 1.790 -4.203 1.00 0.00 C ATOM 0 H VAL A 67 -0.939 -0.523 -5.766 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.472 -0.505 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.978 1.299 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.073 2.865 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.965 1.360 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.359 1.619 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.110 2.862 -4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.714 1.616 -3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.437 1.355 -5.114 1.00 0.00 H new ATOM 955 N LEU A 68 -2.388 -1.893 -2.273 1.00 0.00 N ATOM 956 CA LEU A 68 -3.552 -2.615 -1.789 1.00 0.00 C ATOM 957 C LEU A 68 -4.456 -1.655 -1.013 1.00 0.00 C ATOM 958 O LEU A 68 -5.667 -1.626 -1.227 1.00 0.00 O ATOM 959 CB LEU A 68 -3.125 -3.843 -0.984 1.00 0.00 C ATOM 960 CG LEU A 68 -2.010 -4.693 -1.597 1.00 0.00 C ATOM 961 CD1 LEU A 68 -1.126 -5.306 -0.509 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.584 -5.756 -2.536 1.00 0.00 C ATOM 0 H LEU A 68 -1.524 -2.089 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.137 -2.999 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.801 -3.511 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.999 -4.478 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.375 -4.042 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.342 -5.905 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.673 -4.511 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.732 -5.940 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.771 -6.346 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.255 -6.410 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.136 -5.271 -3.341 1.00 0.00 H new ATOM 974 N SER A 69 -3.832 -0.891 -0.127 1.00 0.00 N ATOM 975 CA SER A 69 -4.564 0.068 0.682 1.00 0.00 C ATOM 976 C SER A 69 -3.628 1.186 1.143 1.00 0.00 C ATOM 977 O SER A 69 -2.408 1.029 1.119 1.00 0.00 O ATOM 978 CB SER A 69 -5.214 -0.612 1.889 1.00 0.00 C ATOM 979 OG SER A 69 -4.476 -0.392 3.087 1.00 0.00 O ATOM 0 H SER A 69 -2.827 -0.917 0.048 1.00 0.00 H new ATOM 0 HA SER A 69 -5.357 0.497 0.070 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.229 -0.235 2.014 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.292 -1.683 1.703 1.00 0.00 H new ATOM 0 HG SER A 69 -4.924 -0.841 3.834 1.00 0.00 H new ATOM 985 N ILE A 70 -4.234 2.291 1.553 1.00 0.00 N ATOM 986 CA ILE A 70 -3.470 3.435 2.019 1.00 0.00 C ATOM 987 C ILE A 70 -4.110 3.985 3.295 1.00 0.00 C ATOM 988 O ILE A 70 -5.282 4.359 3.295 1.00 0.00 O ATOM 989 CB ILE A 70 -3.329 4.475 0.905 1.00 0.00 C ATOM 990 CG1 ILE A 70 -2.652 3.870 -0.326 1.00 0.00 C ATOM 991 CG2 ILE A 70 -2.596 5.721 1.408 1.00 0.00 C ATOM 992 CD1 ILE A 70 -2.088 4.964 -1.235 1.00 0.00 C ATOM 0 H ILE A 70 -5.246 2.418 1.572 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.454 3.135 2.275 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.328 4.789 0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.849 3.203 -0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.370 3.266 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.509 6.444 0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.156 6.165 2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.601 5.443 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.612 4.507 -2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.897 5.615 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.352 5.551 -0.685 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.313 4.017 4.353 1.00 0.00 N ATOM 1005 CA ASN A 71 -3.787 4.514 5.633 1.00 0.00 C ATOM 1006 C ASN A 71 -4.774 3.510 6.232 1.00 0.00 C ATOM 1007 O ASN A 71 -5.394 3.781 7.259 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.513 5.851 5.470 1.00 0.00 C ATOM 1009 CG ASN A 71 -4.135 6.821 6.591 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -4.935 7.167 7.444 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -2.873 7.239 6.542 1.00 0.00 N ATOM 0 H ASN A 71 -2.341 3.707 4.350 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.922 4.650 6.283 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.262 6.290 4.504 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.591 5.687 5.475 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.523 7.889 7.246 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.255 6.910 5.800 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.889 2.372 5.563 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.791 1.326 6.017 1.00 0.00 C ATOM 1020 C GLY A 72 -7.062 1.291 5.166 1.00 0.00 C ATOM 1021 O GLY A 72 -7.944 0.465 5.395 1.00 0.00 O ATOM 0 H GLY A 72 -4.373 2.151 4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.288 0.360 5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.053 1.495 7.062 1.00 0.00 H new ATOM 1025 N LYS A 73 -7.115 2.198 4.201 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.264 2.282 3.315 1.00 0.00 C ATOM 1027 C LYS A 73 -8.037 1.372 2.107 1.00 0.00 C ATOM 1028 O LYS A 73 -7.149 1.624 1.293 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.549 3.738 2.944 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.379 4.428 4.029 1.00 0.00 C ATOM 1031 CD LYS A 73 -9.888 5.789 3.547 1.00 0.00 C ATOM 1032 CE LYS A 73 -11.416 5.846 3.583 1.00 0.00 C ATOM 1033 NZ LYS A 73 -11.884 6.391 4.876 1.00 0.00 N ATOM 0 H LYS A 73 -6.381 2.881 4.013 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.162 1.925 3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.609 4.272 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.081 3.777 1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.224 3.796 4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.774 4.559 4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.476 6.579 4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.537 5.974 2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.782 6.468 2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.827 4.848 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.923 6.423 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.551 5.782 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.507 7.352 5.004 1.00 0.00 H new ATOM 1047 N SER A 74 -8.855 0.333 2.026 1.00 0.00 N ATOM 1048 CA SER A 74 -8.755 -0.616 0.930 1.00 0.00 C ATOM 1049 C SER A 74 -9.462 -0.061 -0.308 1.00 0.00 C ATOM 1050 O SER A 74 -10.457 0.652 -0.192 1.00 0.00 O ATOM 1051 CB SER A 74 -9.350 -1.971 1.319 1.00 0.00 C ATOM 1052 OG SER A 74 -8.744 -2.503 2.494 1.00 0.00 O ATOM 0 H SER A 74 -9.591 0.127 2.702 1.00 0.00 H new ATOM 0 HA SER A 74 -7.700 -0.765 0.701 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.422 -1.863 1.481 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.222 -2.673 0.495 1.00 0.00 H new ATOM 0 HG SER A 74 -9.152 -3.367 2.710 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.920 -0.410 -1.466 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.486 0.044 -2.724 1.00 0.00 C ATOM 1060 C LEU A 75 -10.627 -0.891 -3.132 1.00 0.00 C ATOM 1061 O LEU A 75 -10.389 -1.953 -3.705 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.393 0.179 -3.786 1.00 0.00 C ATOM 1063 CG LEU A 75 -7.042 0.703 -3.294 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -5.930 0.376 -4.293 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -7.113 2.200 -2.985 1.00 0.00 C ATOM 0 H LEU A 75 -8.095 -1.002 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.914 1.040 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.237 -0.797 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.755 0.845 -4.569 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.798 0.194 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.981 0.759 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.860 -0.704 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.156 0.840 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.140 2.546 -2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.391 2.745 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.859 2.377 -2.210 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.841 -0.462 -2.820 1.00 0.00 N ATOM 1078 CA LYS A 76 -13.019 -1.248 -3.147 1.00 0.00 C ATOM 1079 C LYS A 76 -13.494 -0.884 -4.555 1.00 0.00 C ATOM 1080 O LYS A 76 -14.607 -1.231 -4.947 1.00 0.00 O ATOM 1081 CB LYS A 76 -14.093 -1.076 -2.072 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.791 0.279 -2.206 1.00 0.00 C ATOM 1083 CD LYS A 76 -16.138 0.133 -2.917 1.00 0.00 C ATOM 1084 CE LYS A 76 -17.297 0.416 -1.960 1.00 0.00 C ATOM 1085 NZ LYS A 76 -18.319 1.262 -2.618 1.00 0.00 N ATOM 0 H LYS A 76 -12.035 0.419 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.778 -2.311 -3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.827 -1.877 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.640 -1.160 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.942 0.714 -1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.154 0.967 -2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.183 0.820 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.233 -0.875 -3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.747 -0.523 -1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.924 0.915 -1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.099 1.444 -1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.890 2.165 -2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.687 0.772 -3.458 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.627 -0.190 -5.277 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.945 0.225 -6.633 1.00 0.00 C ATOM 1101 C GLY A 77 -12.952 1.750 -6.753 1.00 0.00 C ATOM 1102 O GLY A 77 -13.639 2.306 -7.608 1.00 0.00 O ATOM 0 H GLY A 77 -11.704 0.096 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.215 -0.194 -7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.920 -0.170 -6.919 1.00 0.00 H new ATOM 1106 N THR A 78 -12.180 2.384 -5.882 1.00 0.00 N ATOM 1107 CA THR A 78 -12.089 3.834 -5.879 1.00 0.00 C ATOM 1108 C THR A 78 -11.590 4.340 -7.234 1.00 0.00 C ATOM 1109 O THR A 78 -10.737 3.711 -7.859 1.00 0.00 O ATOM 1110 CB THR A 78 -11.196 4.249 -4.709 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.259 3.142 -3.814 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.785 5.411 -3.906 1.00 0.00 C ATOM 0 H THR A 78 -11.612 1.920 -5.174 1.00 0.00 H new ATOM 0 HA THR A 78 -13.068 4.291 -5.737 1.00 0.00 H new ATOM 0 HB THR A 78 -10.212 4.530 -5.085 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.706 3.326 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.112 5.666 -3.088 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.909 6.277 -4.557 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.754 5.119 -3.501 1.00 0.00 H new ATOM 1120 N THR A 79 -12.143 5.470 -7.648 1.00 0.00 N ATOM 1121 CA THR A 79 -11.764 6.068 -8.917 1.00 0.00 C ATOM 1122 C THR A 79 -10.367 6.685 -8.821 1.00 0.00 C ATOM 1123 O THR A 79 -9.768 6.709 -7.747 1.00 0.00 O ATOM 1124 CB THR A 79 -12.848 7.074 -9.308 1.00 0.00 C ATOM 1125 OG1 THR A 79 -13.161 7.739 -8.087 1.00 0.00 O ATOM 1126 CG2 THR A 79 -14.159 6.396 -9.711 1.00 0.00 C ATOM 0 H THR A 79 -12.851 5.988 -7.127 1.00 0.00 H new ATOM 0 HA THR A 79 -11.699 5.317 -9.704 1.00 0.00 H new ATOM 0 HB THR A 79 -12.491 7.690 -10.133 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.265 8.699 -8.255 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.894 7.155 -9.979 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.983 5.743 -10.566 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.535 5.806 -8.875 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.890 7.170 -9.957 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.575 7.787 -10.014 1.00 0.00 C ATOM 1136 C HIS A 80 -8.516 8.960 -9.035 1.00 0.00 C ATOM 1137 O HIS A 80 -7.543 9.108 -8.296 1.00 0.00 O ATOM 1138 CB HIS A 80 -8.227 8.192 -11.448 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.752 8.422 -11.680 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.800 7.437 -11.482 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -6.078 9.532 -12.096 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.610 7.943 -11.768 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.784 9.242 -12.148 1.00 0.00 N ATOM 0 H HIS A 80 -10.390 7.149 -10.846 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.817 7.066 -9.708 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.575 7.415 -12.129 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.770 9.103 -11.700 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.984 6.484 -11.169 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.522 10.485 -12.342 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.667 7.419 -11.711 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.568 9.765 -9.061 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.648 10.921 -8.185 1.00 0.00 C ATOM 1153 C HIS A 81 -9.898 10.460 -6.748 1.00 0.00 C ATOM 1154 O HIS A 81 -9.093 10.726 -5.857 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.704 11.909 -8.683 1.00 0.00 C ATOM 1156 CG HIS A 81 -10.319 13.359 -8.513 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -10.332 14.266 -9.559 1.00 0.00 N ATOM 1158 CD2 HIS A 81 -9.911 14.049 -7.410 1.00 0.00 C ATOM 1159 CE1 HIS A 81 -9.946 15.445 -9.094 1.00 0.00 C ATOM 1160 NE2 HIS A 81 -9.685 15.309 -7.762 1.00 0.00 N ATOM 0 H HIS A 81 -10.372 9.639 -9.675 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.699 11.457 -8.198 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.897 11.717 -9.738 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.637 11.727 -8.150 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.792 13.640 -6.418 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -9.854 16.355 -9.669 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.369 16.052 -7.139 1.00 0.00 H new ATOM 1168 N ASP A 82 -11.019 9.777 -6.567 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.386 9.276 -5.253 1.00 0.00 C ATOM 1170 C ASP A 82 -10.150 8.681 -4.575 1.00 0.00 C ATOM 1171 O ASP A 82 -10.052 8.675 -3.349 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.443 8.175 -5.359 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.852 8.662 -5.701 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -13.971 9.858 -6.044 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.779 7.828 -5.611 1.00 0.00 O ATOM 0 H ASP A 82 -11.685 9.559 -7.308 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.788 10.108 -4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.127 7.461 -6.120 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.481 7.636 -4.412 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.237 8.194 -5.403 1.00 0.00 N ATOM 1181 CA ALA A 83 -8.011 7.598 -4.899 1.00 0.00 C ATOM 1182 C ALA A 83 -6.994 8.703 -4.608 1.00 0.00 C ATOM 1183 O ALA A 83 -6.543 8.853 -3.474 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.488 6.575 -5.909 1.00 0.00 C ATOM 0 H ALA A 83 -9.322 8.200 -6.419 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.198 7.068 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.569 6.128 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.236 5.796 -6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.287 7.071 -6.858 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.663 9.448 -5.652 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.707 10.535 -5.523 1.00 0.00 C ATOM 1192 C LEU A 84 -6.069 11.384 -4.302 1.00 0.00 C ATOM 1193 O LEU A 84 -5.192 11.788 -3.541 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.624 11.334 -6.825 1.00 0.00 C ATOM 1195 CG LEU A 84 -5.182 10.553 -8.064 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -5.979 10.984 -9.297 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -3.673 10.680 -8.283 1.00 0.00 C ATOM 0 H LEU A 84 -7.040 9.321 -6.591 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.704 10.142 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.603 11.769 -7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.932 12.163 -6.676 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.395 9.497 -7.896 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.645 10.414 -10.164 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.040 10.799 -9.128 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.821 12.047 -9.479 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.385 10.116 -9.170 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.412 11.729 -8.420 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.145 10.286 -7.415 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.363 11.629 -4.155 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.852 12.423 -3.040 1.00 0.00 C ATOM 1211 C ALA A 85 -7.550 11.694 -1.730 1.00 0.00 C ATOM 1212 O ALA A 85 -6.855 12.226 -0.865 1.00 0.00 O ATOM 1213 CB ALA A 85 -9.346 12.696 -3.224 1.00 0.00 C ATOM 0 H ALA A 85 -8.087 11.292 -4.789 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.346 13.388 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.713 13.291 -2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.504 13.241 -4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.887 11.750 -3.261 1.00 0.00 H new ATOM 1219 N ILE A 86 -8.086 10.487 -1.623 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.882 9.680 -0.433 1.00 0.00 C ATOM 1221 C ILE A 86 -6.399 9.696 -0.058 1.00 0.00 C ATOM 1222 O ILE A 86 -6.053 9.705 1.122 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.450 8.274 -0.635 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.826 8.139 0.020 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -7.471 7.210 -0.135 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.875 7.680 -0.996 1.00 0.00 C ATOM 0 H ILE A 86 -8.662 10.049 -2.342 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.429 10.102 0.411 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.585 8.111 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.773 7.424 0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.124 9.096 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.899 6.220 -0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.534 7.290 -0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.281 7.361 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.844 7.592 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.943 8.409 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.586 6.712 -1.405 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.562 9.699 -1.086 1.00 0.00 N ATOM 1239 CA LEU A 87 -4.124 9.713 -0.880 1.00 0.00 C ATOM 1240 C LEU A 87 -3.704 11.083 -0.342 1.00 0.00 C ATOM 1241 O LEU A 87 -2.809 11.176 0.497 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.395 9.306 -2.162 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.995 9.894 -2.353 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -2.064 11.400 -2.614 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -1.093 9.560 -1.163 1.00 0.00 C ATOM 0 H LEU A 87 -5.853 9.692 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.839 8.974 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.317 8.219 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.009 9.598 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.549 9.434 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.056 11.793 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.647 11.587 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.538 11.895 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.104 9.989 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.525 9.974 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.007 8.478 -1.064 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.371 12.111 -0.846 1.00 0.00 N ATOM 1258 CA ARG A 88 -4.078 13.471 -0.426 1.00 0.00 C ATOM 1259 C ARG A 88 -4.444 13.662 1.047 1.00 0.00 C ATOM 1260 O ARG A 88 -4.113 14.685 1.645 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.849 14.486 -1.272 1.00 0.00 C ATOM 1262 CG ARG A 88 -4.187 14.677 -2.638 1.00 0.00 C ATOM 1263 CD ARG A 88 -5.001 15.633 -3.513 1.00 0.00 C ATOM 1264 NE ARG A 88 -4.867 15.254 -4.937 1.00 0.00 N ATOM 1265 CZ ARG A 88 -5.342 15.983 -5.956 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -5.985 17.134 -5.714 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -5.175 15.561 -7.217 1.00 0.00 N ATOM 0 H ARG A 88 -5.113 12.030 -1.541 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.010 13.638 -0.563 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.876 14.147 -1.406 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.894 15.441 -0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.179 15.069 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.091 13.713 -3.138 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.050 15.605 -3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.656 16.656 -3.366 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.383 14.384 -5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.113 17.455 -4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.347 17.689 -6.490 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.686 14.685 -7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.537 16.116 -7.993 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.122 12.662 1.590 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.536 12.707 2.982 1.00 0.00 C ATOM 1283 C GLN A 89 -4.583 11.880 3.847 1.00 0.00 C ATOM 1284 O GLN A 89 -4.431 12.145 5.038 1.00 0.00 O ATOM 1285 CB GLN A 89 -6.979 12.224 3.141 1.00 0.00 C ATOM 1286 CG GLN A 89 -7.950 13.145 2.398 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.237 13.346 3.201 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.251 13.305 4.420 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.313 13.565 2.451 1.00 0.00 N ATOM 0 H GLN A 89 -5.395 11.815 1.091 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.495 13.743 3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.071 11.208 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.241 12.191 4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.476 14.109 2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.188 12.719 1.423 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.230 13.587 1.435 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.221 13.711 2.892 1.00 0.00 H new ATOM 1298 N ALA A 90 -3.966 10.893 3.213 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.031 10.025 3.910 1.00 0.00 C ATOM 1300 C ALA A 90 -1.797 10.833 4.316 1.00 0.00 C ATOM 1301 O ALA A 90 -0.944 10.342 5.053 1.00 0.00 O ATOM 1302 CB ALA A 90 -2.680 8.833 3.018 1.00 0.00 C ATOM 0 H ALA A 90 -4.095 10.675 2.225 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.480 9.630 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.979 8.182 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.587 8.276 2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.224 9.191 2.095 1.00 0.00 H new ATOM 1308 N ARG A 91 -1.742 12.060 3.818 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.626 12.940 4.120 1.00 0.00 C ATOM 1310 C ARG A 91 -0.993 13.889 5.262 1.00 0.00 C ATOM 1311 O ARG A 91 -0.155 14.660 5.727 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.225 13.762 2.893 1.00 0.00 C ATOM 1313 CG ARG A 91 0.232 12.853 1.750 1.00 0.00 C ATOM 1314 CD ARG A 91 -0.515 13.182 0.456 1.00 0.00 C ATOM 1315 NE ARG A 91 -0.327 14.609 0.111 1.00 0.00 N ATOM 1316 CZ ARG A 91 0.821 15.126 -0.347 1.00 0.00 C ATOM 1317 NH1 ARG A 91 1.890 14.337 -0.518 1.00 0.00 N ATOM 1318 NH2 ARG A 91 0.900 16.433 -0.633 1.00 0.00 N ATOM 0 H ARG A 91 -2.452 12.465 3.208 1.00 0.00 H new ATOM 0 HA ARG A 91 0.217 12.316 4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.069 14.368 2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.578 14.450 3.158 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.305 12.969 1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.060 11.811 2.018 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.149 12.552 -0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.577 12.965 0.574 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.121 15.238 0.229 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.830 13.342 -0.300 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.764 14.731 -0.867 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.086 17.034 -0.502 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.774 16.827 -0.982 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.247 13.801 5.682 1.00 0.00 N ATOM 1333 CA GLU A 92 -2.735 14.642 6.762 1.00 0.00 C ATOM 1334 C GLU A 92 -2.099 14.224 8.089 1.00 0.00 C ATOM 1335 O GLU A 92 -1.687 15.073 8.879 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.262 14.595 6.847 1.00 0.00 C ATOM 1337 CG GLU A 92 -4.895 14.877 5.483 1.00 0.00 C ATOM 1338 CD GLU A 92 -6.326 14.338 5.421 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -6.576 13.314 6.093 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -7.137 14.961 4.702 1.00 0.00 O ATOM 0 H GLU A 92 -2.939 13.160 5.294 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.447 15.672 6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.580 13.616 7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.612 15.328 7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.898 15.951 5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.295 14.417 4.698 1.00 0.00 H new ATOM 1347 N PRO A 93 -2.038 12.882 8.300 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.459 12.342 9.518 1.00 0.00 C ATOM 1349 C PRO A 93 0.067 12.442 9.492 1.00 0.00 C ATOM 1350 O PRO A 93 0.640 13.000 8.557 1.00 0.00 O ATOM 1351 CB PRO A 93 -1.959 10.908 9.589 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.415 10.556 8.182 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.516 11.848 7.388 1.00 0.00 C ATOM 0 HA PRO A 93 -1.756 12.898 10.407 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.169 10.235 9.924 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.780 10.815 10.300 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.708 9.873 7.711 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.379 10.048 8.209 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.908 11.806 6.484 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.542 12.041 7.074 1.00 0.00 H new ATOM 1361 N ARG A 94 0.683 11.892 10.528 1.00 0.00 N ATOM 1362 CA ARG A 94 2.132 11.913 10.636 1.00 0.00 C ATOM 1363 C ARG A 94 2.715 10.567 10.201 1.00 0.00 C ATOM 1364 O ARG A 94 3.933 10.398 10.161 1.00 0.00 O ATOM 1365 CB ARG A 94 2.574 12.214 12.069 1.00 0.00 C ATOM 1366 CG ARG A 94 2.599 13.721 12.330 1.00 0.00 C ATOM 1367 CD ARG A 94 1.441 14.140 13.238 1.00 0.00 C ATOM 1368 NE ARG A 94 1.934 15.038 14.306 1.00 0.00 N ATOM 1369 CZ ARG A 94 2.757 14.653 15.291 1.00 0.00 C ATOM 1370 NH1 ARG A 94 3.183 13.384 15.350 1.00 0.00 N ATOM 1371 NH2 ARG A 94 3.153 15.536 16.217 1.00 0.00 N ATOM 0 H ARG A 94 0.205 11.429 11.301 1.00 0.00 H new ATOM 0 HA ARG A 94 2.502 12.702 9.982 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.895 11.731 12.772 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.565 11.795 12.243 1.00 0.00 H new ATOM 0 HG2 ARG A 94 3.547 13.998 12.792 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.537 14.259 11.384 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.673 14.646 12.652 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.976 13.258 13.679 1.00 0.00 H new ATOM 0 HE ARG A 94 1.628 16.011 14.291 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.881 12.711 14.645 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.809 13.091 16.100 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.828 16.502 16.173 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.779 15.243 16.967 1.00 0.00 H new ATOM 1385 N GLN A 95 1.819 9.643 9.888 1.00 0.00 N ATOM 1386 CA GLN A 95 2.229 8.317 9.458 1.00 0.00 C ATOM 1387 C GLN A 95 1.297 7.803 8.359 1.00 0.00 C ATOM 1388 O GLN A 95 0.097 8.071 8.382 1.00 0.00 O ATOM 1389 CB GLN A 95 2.271 7.346 10.640 1.00 0.00 C ATOM 1390 CG GLN A 95 3.031 6.069 10.275 1.00 0.00 C ATOM 1391 CD GLN A 95 2.530 4.879 11.096 1.00 0.00 C ATOM 1392 OE1 GLN A 95 3.087 4.521 12.121 1.00 0.00 O ATOM 1393 NE2 GLN A 95 1.452 4.288 10.590 1.00 0.00 N ATOM 0 H GLN A 95 0.810 9.786 9.924 1.00 0.00 H new ATOM 0 HA GLN A 95 3.237 8.385 9.050 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.750 7.827 11.493 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.255 7.094 10.944 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.908 5.860 9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.097 6.213 10.450 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.035 4.639 9.728 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.041 3.484 11.064 1.00 0.00 H new ATOM 1402 N ALA A 96 1.885 7.073 7.423 1.00 0.00 N ATOM 1403 CA ALA A 96 1.123 6.519 6.317 1.00 0.00 C ATOM 1404 C ALA A 96 1.354 5.008 6.250 1.00 0.00 C ATOM 1405 O ALA A 96 2.491 4.546 6.334 1.00 0.00 O ATOM 1406 CB ALA A 96 1.517 7.227 5.019 1.00 0.00 C ATOM 0 H ALA A 96 2.881 6.852 7.408 1.00 0.00 H new ATOM 0 HA ALA A 96 0.056 6.683 6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.945 6.811 4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.306 8.293 5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.581 7.082 4.834 1.00 0.00 H new ATOM 1412 N VAL A 97 0.257 4.280 6.100 1.00 0.00 N ATOM 1413 CA VAL A 97 0.327 2.830 6.021 1.00 0.00 C ATOM 1414 C VAL A 97 -0.037 2.383 4.603 1.00 0.00 C ATOM 1415 O VAL A 97 -1.184 2.519 4.181 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.568 2.204 7.093 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -1.155 0.877 6.610 1.00 0.00 C ATOM 1418 CG2 VAL A 97 0.196 2.021 8.406 1.00 0.00 C ATOM 0 H VAL A 97 -0.684 4.666 6.031 1.00 0.00 H new ATOM 0 HA VAL A 97 1.341 2.485 6.221 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.396 2.888 7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.787 0.453 7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.751 1.048 5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.346 0.183 6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.463 1.575 9.151 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.052 1.367 8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.543 2.991 8.763 1.00 0.00 H new ATOM 1428 N ILE A 98 0.962 1.860 3.908 1.00 0.00 N ATOM 1429 CA ILE A 98 0.762 1.392 2.547 1.00 0.00 C ATOM 1430 C ILE A 98 1.199 -0.071 2.445 1.00 0.00 C ATOM 1431 O ILE A 98 2.330 -0.410 2.791 1.00 0.00 O ATOM 1432 CB ILE A 98 1.469 2.316 1.553 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.045 3.771 1.760 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.241 1.850 0.114 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.153 4.574 2.444 1.00 0.00 C ATOM 0 H ILE A 98 1.912 1.750 4.262 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.295 1.428 2.284 1.00 0.00 H new ATOM 0 HB ILE A 98 2.541 2.264 1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.804 4.223 0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.139 3.807 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.754 2.524 -0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.633 0.840 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.173 1.853 -0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.825 5.605 2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.375 4.133 3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.050 4.557 1.825 1.00 0.00 H new ATOM 1447 N VAL A 99 0.280 -0.898 1.970 1.00 0.00 N ATOM 1448 CA VAL A 99 0.556 -2.317 1.818 1.00 0.00 C ATOM 1449 C VAL A 99 0.678 -2.652 0.331 1.00 0.00 C ATOM 1450 O VAL A 99 -0.299 -2.565 -0.411 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.520 -3.138 2.530 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.124 -4.614 2.605 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -0.807 -2.576 3.924 1.00 0.00 C ATOM 0 H VAL A 99 -0.657 -0.613 1.685 1.00 0.00 H new ATOM 0 HA VAL A 99 1.506 -2.574 2.287 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.437 -3.066 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.906 -5.175 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.005 -5.008 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.811 -4.712 3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.576 -3.178 4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.104 -2.602 4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.154 -1.546 3.837 1.00 0.00 H new ATOM 1463 N THR A 100 1.887 -3.029 -0.061 1.00 0.00 N ATOM 1464 CA THR A 100 2.149 -3.378 -1.447 1.00 0.00 C ATOM 1465 C THR A 100 2.912 -4.701 -1.528 1.00 0.00 C ATOM 1466 O THR A 100 3.526 -5.129 -0.552 1.00 0.00 O ATOM 1467 CB THR A 100 2.891 -2.208 -2.097 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.054 -2.043 -1.290 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.141 -0.883 -1.945 1.00 0.00 C ATOM 0 H THR A 100 2.695 -3.100 0.557 1.00 0.00 H new ATOM 0 HA THR A 100 1.222 -3.539 -1.997 1.00 0.00 H new ATOM 0 HB THR A 100 3.045 -2.419 -3.155 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.850 -2.035 -1.861 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.710 -0.086 -2.423 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.162 -0.963 -2.417 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.016 -0.655 -0.886 1.00 0.00 H new ATOM 1477 N ARG A 101 2.849 -5.313 -2.702 1.00 0.00 N ATOM 1478 CA ARG A 101 3.527 -6.579 -2.923 1.00 0.00 C ATOM 1479 C ARG A 101 4.701 -6.392 -3.885 1.00 0.00 C ATOM 1480 O ARG A 101 4.723 -5.441 -4.666 1.00 0.00 O ATOM 1481 CB ARG A 101 2.568 -7.624 -3.497 1.00 0.00 C ATOM 1482 CG ARG A 101 1.499 -8.009 -2.472 1.00 0.00 C ATOM 1483 CD ARG A 101 0.126 -7.476 -2.885 1.00 0.00 C ATOM 1484 NE ARG A 101 -0.734 -8.592 -3.342 1.00 0.00 N ATOM 1485 CZ ARG A 101 -1.501 -9.330 -2.529 1.00 0.00 C ATOM 1486 NH1 ARG A 101 -1.522 -9.076 -1.214 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -2.249 -10.322 -3.032 1.00 0.00 N ATOM 0 H ARG A 101 2.339 -4.956 -3.510 1.00 0.00 H new ATOM 0 HA ARG A 101 3.895 -6.930 -1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.091 -7.231 -4.395 1.00 0.00 H new ATOM 0 HB3 ARG A 101 3.127 -8.511 -3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.458 -9.094 -2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.768 -7.611 -1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.343 -6.965 -2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.237 -6.741 -3.682 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.743 -8.812 -4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.954 -8.320 -0.831 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.106 -9.638 -0.595 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.234 -10.515 -4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.833 -10.884 -2.413 1.00 0.00 H new ATOM 1501 N LYS A 102 5.649 -7.313 -3.799 1.00 0.00 N ATOM 1502 CA LYS A 102 6.824 -7.261 -4.652 1.00 0.00 C ATOM 1503 C LYS A 102 6.447 -7.725 -6.060 1.00 0.00 C ATOM 1504 O LYS A 102 5.981 -8.849 -6.243 1.00 0.00 O ATOM 1505 CB LYS A 102 7.974 -8.056 -4.030 1.00 0.00 C ATOM 1506 CG LYS A 102 9.221 -7.184 -3.873 1.00 0.00 C ATOM 1507 CD LYS A 102 10.192 -7.401 -5.036 1.00 0.00 C ATOM 1508 CE LYS A 102 9.451 -7.403 -6.375 1.00 0.00 C ATOM 1509 NZ LYS A 102 10.411 -7.493 -7.498 1.00 0.00 N ATOM 0 H LYS A 102 5.627 -8.100 -3.151 1.00 0.00 H new ATOM 0 HA LYS A 102 7.186 -6.237 -4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.670 -8.441 -3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.205 -8.918 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.932 -6.134 -3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.717 -7.419 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.947 -6.615 -5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.716 -8.347 -4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.758 -8.244 -6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.856 -6.495 -6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.907 -7.357 -8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.137 -6.756 -7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.864 -8.429 -7.493 1.00 0.00 H new ATOM 1523 N LEU A 103 6.664 -6.838 -7.019 1.00 0.00 N ATOM 1524 CA LEU A 103 6.353 -7.142 -8.405 1.00 0.00 C ATOM 1525 C LEU A 103 7.574 -6.839 -9.276 1.00 0.00 C ATOM 1526 O LEU A 103 8.597 -6.376 -8.776 1.00 0.00 O ATOM 1527 CB LEU A 103 5.086 -6.405 -8.845 1.00 0.00 C ATOM 1528 CG LEU A 103 3.975 -6.299 -7.798 1.00 0.00 C ATOM 1529 CD1 LEU A 103 3.095 -5.074 -8.056 1.00 0.00 C ATOM 1530 CD2 LEU A 103 3.156 -7.590 -7.735 1.00 0.00 C ATOM 0 H LEU A 103 7.052 -5.908 -6.863 1.00 0.00 H new ATOM 0 HA LEU A 103 6.133 -8.203 -8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.364 -5.397 -9.154 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.683 -6.908 -9.724 1.00 0.00 H new ATOM 0 HG LEU A 103 4.438 -6.164 -6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.313 -5.022 -7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.705 -4.172 -8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.639 -5.155 -9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.373 -7.488 -6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.702 -7.781 -8.708 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.808 -8.422 -7.469 1.00 0.00 H new ATOM 1542 N THR A 104 7.425 -7.114 -10.564 1.00 0.00 N ATOM 1543 CA THR A 104 8.503 -6.876 -11.509 1.00 0.00 C ATOM 1544 C THR A 104 9.782 -7.576 -11.046 1.00 0.00 C ATOM 1545 O THR A 104 9.887 -7.985 -9.890 1.00 0.00 O ATOM 1546 CB THR A 104 8.663 -5.363 -11.673 1.00 0.00 C ATOM 1547 OG1 THR A 104 9.335 -4.954 -10.485 1.00 0.00 O ATOM 1548 CG2 THR A 104 7.325 -4.624 -11.618 1.00 0.00 C ATOM 0 H THR A 104 6.575 -7.499 -10.975 1.00 0.00 H new ATOM 0 HA THR A 104 8.273 -7.300 -12.486 1.00 0.00 H new ATOM 0 HB THR A 104 9.156 -5.151 -12.622 1.00 0.00 H new ATOM 0 HG1 THR A 104 9.345 -5.695 -9.843 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.495 -3.554 -11.739 1.00 0.00 H new ATOM 0 HG22 THR A 104 6.678 -4.982 -12.419 1.00 0.00 H new ATOM 0 HG23 THR A 104 6.847 -4.809 -10.656 1.00 0.00 H new ATOM 1556 N PRO A 105 10.748 -7.696 -11.996 1.00 0.00 N ATOM 1557 CA PRO A 105 12.016 -8.339 -11.697 1.00 0.00 C ATOM 1558 C PRO A 105 12.909 -7.425 -10.854 1.00 0.00 C ATOM 1559 O PRO A 105 13.129 -7.685 -9.672 1.00 0.00 O ATOM 1560 CB PRO A 105 12.618 -8.672 -13.052 1.00 0.00 C ATOM 1561 CG PRO A 105 11.891 -7.793 -14.058 1.00 0.00 C ATOM 1562 CD PRO A 105 10.659 -7.224 -13.374 1.00 0.00 C ATOM 0 HA PRO A 105 11.899 -9.241 -11.096 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.690 -8.474 -13.063 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.487 -9.728 -13.289 1.00 0.00 H new ATOM 0 HG2 PRO A 105 12.541 -6.989 -14.403 1.00 0.00 H new ATOM 0 HG3 PRO A 105 11.607 -8.373 -14.936 1.00 0.00 H new ATOM 0 HD2 PRO A 105 10.648 -6.135 -13.419 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.744 -7.572 -13.853 1.00 0.00 H new ATOM 1570 N GLU A 106 13.400 -6.375 -11.496 1.00 0.00 N ATOM 1571 CA GLU A 106 14.264 -5.422 -10.821 1.00 0.00 C ATOM 1572 C GLU A 106 14.458 -4.176 -11.687 1.00 0.00 C ATOM 1573 O GLU A 106 15.580 -3.697 -11.850 1.00 0.00 O ATOM 1574 CB GLU A 106 15.609 -6.058 -10.465 1.00 0.00 C ATOM 1575 CG GLU A 106 16.008 -7.112 -11.500 1.00 0.00 C ATOM 1576 CD GLU A 106 17.477 -7.510 -11.338 1.00 0.00 C ATOM 1577 OE1 GLU A 106 17.763 -8.241 -10.365 1.00 0.00 O ATOM 1578 OE2 GLU A 106 18.279 -7.076 -12.192 1.00 0.00 O ATOM 0 H GLU A 106 13.216 -6.163 -12.477 1.00 0.00 H new ATOM 0 HA GLU A 106 13.784 -5.122 -9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 106 16.377 -5.287 -10.411 1.00 0.00 H new ATOM 0 HB3 GLU A 106 15.549 -6.517 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 106 15.375 -7.992 -11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.842 -6.722 -12.504 1.00 0.00 H new ATOM 1585 N ALA A 107 13.349 -3.686 -12.220 1.00 0.00 N ATOM 1586 CA ALA A 107 13.383 -2.504 -13.066 1.00 0.00 C ATOM 1587 C ALA A 107 14.216 -2.800 -14.315 1.00 0.00 C ATOM 1588 O ALA A 107 14.833 -3.859 -14.417 1.00 0.00 O ATOM 1589 CB ALA A 107 13.931 -1.320 -12.267 1.00 0.00 C ATOM 0 H ALA A 107 12.421 -4.086 -12.083 1.00 0.00 H new ATOM 0 HA ALA A 107 12.378 -2.238 -13.395 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.957 -0.434 -12.901 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.288 -1.133 -11.407 1.00 0.00 H new ATOM 0 HB3 ALA A 107 14.940 -1.549 -11.923 1.00 0.00 H new ATOM 1595 N MET A 108 14.206 -1.846 -15.233 1.00 0.00 N ATOM 1596 CA MET A 108 14.952 -1.991 -16.471 1.00 0.00 C ATOM 1597 C MET A 108 16.412 -1.573 -16.284 1.00 0.00 C ATOM 1598 O MET A 108 16.691 -0.470 -15.817 1.00 0.00 O ATOM 1599 CB MET A 108 14.310 -1.128 -17.559 1.00 0.00 C ATOM 1600 CG MET A 108 15.193 -1.073 -18.808 1.00 0.00 C ATOM 1601 SD MET A 108 14.473 0.026 -20.016 1.00 0.00 S ATOM 1602 CE MET A 108 15.570 1.425 -19.855 1.00 0.00 C ATOM 0 H MET A 108 13.693 -0.969 -15.145 1.00 0.00 H new ATOM 0 HA MET A 108 14.928 -3.040 -16.766 1.00 0.00 H new ATOM 0 HB2 MET A 108 13.332 -1.532 -17.819 1.00 0.00 H new ATOM 0 HB3 MET A 108 14.148 -0.119 -17.179 1.00 0.00 H new ATOM 0 HG2 MET A 108 16.193 -0.730 -18.542 1.00 0.00 H new ATOM 0 HG3 MET A 108 15.301 -2.072 -19.231 1.00 0.00 H new ATOM 0 HE1 MET A 108 15.261 2.211 -20.545 1.00 0.00 H new ATOM 0 HE2 MET A 108 15.530 1.803 -18.833 1.00 0.00 H new ATOM 0 HE3 MET A 108 16.589 1.117 -20.089 1.00 0.00 H new ATOM 1612 N PRO A 109 17.330 -2.501 -16.667 1.00 0.00 N ATOM 1613 CA PRO A 109 18.754 -2.240 -16.545 1.00 0.00 C ATOM 1614 C PRO A 109 19.228 -1.272 -17.631 1.00 0.00 C ATOM 1615 O PRO A 109 18.971 -1.487 -18.815 1.00 0.00 O ATOM 1616 CB PRO A 109 19.413 -3.606 -16.638 1.00 0.00 C ATOM 1617 CG PRO A 109 18.381 -4.526 -17.270 1.00 0.00 C ATOM 1618 CD PRO A 109 17.036 -3.818 -17.223 1.00 0.00 C ATOM 0 HA PRO A 109 19.014 -1.750 -15.606 1.00 0.00 H new ATOM 0 HB2 PRO A 109 20.319 -3.562 -17.243 1.00 0.00 H new ATOM 0 HB3 PRO A 109 19.705 -3.966 -15.652 1.00 0.00 H new ATOM 0 HG2 PRO A 109 18.655 -4.757 -18.299 1.00 0.00 H new ATOM 0 HG3 PRO A 109 18.333 -5.473 -16.732 1.00 0.00 H new ATOM 0 HD2 PRO A 109 16.595 -3.739 -18.217 1.00 0.00 H new ATOM 0 HD3 PRO A 109 16.324 -4.361 -16.601 1.00 0.00 H new ATOM 1626 N ASP A 110 19.913 -0.227 -17.189 1.00 0.00 N ATOM 1627 CA ASP A 110 20.426 0.774 -18.109 1.00 0.00 C ATOM 1628 C ASP A 110 21.641 1.461 -17.482 1.00 0.00 C ATOM 1629 O ASP A 110 21.550 2.014 -16.387 1.00 0.00 O ATOM 1630 CB ASP A 110 19.374 1.847 -18.398 1.00 0.00 C ATOM 1631 CG ASP A 110 19.545 2.578 -19.731 1.00 0.00 C ATOM 1632 OD1 ASP A 110 20.169 1.977 -20.632 1.00 0.00 O ATOM 1633 OD2 ASP A 110 19.048 3.722 -19.819 1.00 0.00 O ATOM 0 H ASP A 110 20.124 -0.052 -16.207 1.00 0.00 H new ATOM 0 HA ASP A 110 20.694 0.272 -19.039 1.00 0.00 H new ATOM 0 HB2 ASP A 110 18.388 1.382 -18.380 1.00 0.00 H new ATOM 0 HB3 ASP A 110 19.395 2.581 -17.593 1.00 0.00 H new ATOM 1638 N LEU A 111 22.751 1.403 -18.204 1.00 0.00 N ATOM 1639 CA LEU A 111 23.983 2.012 -17.733 1.00 0.00 C ATOM 1640 C LEU A 111 24.029 3.473 -18.184 1.00 0.00 C ATOM 1641 O LEU A 111 23.772 4.379 -17.393 1.00 0.00 O ATOM 1642 CB LEU A 111 25.193 1.191 -18.182 1.00 0.00 C ATOM 1643 CG LEU A 111 24.909 -0.259 -18.581 1.00 0.00 C ATOM 1644 CD1 LEU A 111 24.554 -0.360 -20.066 1.00 0.00 C ATOM 1645 CD2 LEU A 111 26.080 -1.170 -18.209 1.00 0.00 C ATOM 0 H LEU A 111 22.822 0.943 -19.112 1.00 0.00 H new ATOM 0 HA LEU A 111 24.015 2.013 -16.643 1.00 0.00 H new ATOM 0 HB2 LEU A 111 25.656 1.696 -19.030 1.00 0.00 H new ATOM 0 HB3 LEU A 111 25.925 1.188 -17.374 1.00 0.00 H new ATOM 0 HG LEU A 111 24.042 -0.604 -18.018 1.00 0.00 H new ATOM 0 HD11 LEU A 111 24.357 -1.401 -20.323 1.00 0.00 H new ATOM 0 HD12 LEU A 111 23.666 0.238 -20.269 1.00 0.00 H new ATOM 0 HD13 LEU A 111 25.386 0.010 -20.665 1.00 0.00 H new ATOM 0 HD21 LEU A 111 25.852 -2.194 -18.504 1.00 0.00 H new ATOM 0 HD22 LEU A 111 26.980 -0.836 -18.726 1.00 0.00 H new ATOM 0 HD23 LEU A 111 26.244 -1.130 -17.132 1.00 0.00 H new ATOM 1657 N ASN A 112 24.359 3.657 -19.454 1.00 0.00 N ATOM 1658 CA ASN A 112 24.442 4.992 -20.020 1.00 0.00 C ATOM 1659 C ASN A 112 25.088 5.934 -19.001 1.00 0.00 C ATOM 1660 O ASN A 112 24.392 6.587 -18.226 1.00 0.00 O ATOM 1661 CB ASN A 112 23.052 5.538 -20.352 1.00 0.00 C ATOM 1662 CG ASN A 112 23.107 6.486 -21.552 1.00 0.00 C ATOM 1663 OD1 ASN A 112 24.163 6.831 -22.055 1.00 0.00 O ATOM 1664 ND2 ASN A 112 21.913 6.887 -21.980 1.00 0.00 N ATOM 0 H ASN A 112 24.572 2.903 -20.107 1.00 0.00 H new ATOM 0 HA ASN A 112 25.034 4.934 -20.933 1.00 0.00 H new ATOM 0 HB2 ASN A 112 22.375 4.712 -20.568 1.00 0.00 H new ATOM 0 HB3 ASN A 112 22.648 6.064 -19.487 1.00 0.00 H new ATOM 0 HD21 ASN A 112 21.843 7.522 -22.775 1.00 0.00 H new ATOM 0 HD22 ASN A 112 21.067 6.560 -21.513 1.00 0.00 H new ATOM 1671 N SER A 113 26.412 5.974 -19.037 1.00 0.00 N ATOM 1672 CA SER A 113 27.160 6.824 -18.127 1.00 0.00 C ATOM 1673 C SER A 113 28.598 6.985 -18.623 1.00 0.00 C ATOM 1674 O SER A 113 29.017 6.301 -19.555 1.00 0.00 O ATOM 1675 CB SER A 113 27.149 6.255 -16.707 1.00 0.00 C ATOM 1676 OG SER A 113 26.200 6.915 -15.873 1.00 0.00 O ATOM 0 H SER A 113 26.986 5.431 -19.682 1.00 0.00 H new ATOM 0 HA SER A 113 26.680 7.802 -18.101 1.00 0.00 H new ATOM 0 HB2 SER A 113 26.919 5.190 -16.745 1.00 0.00 H new ATOM 0 HB3 SER A 113 28.143 6.351 -16.271 1.00 0.00 H new ATOM 0 HG SER A 113 25.358 7.027 -16.361 1.00 0.00 H new ATOM 1682 N SER A 114 29.314 7.895 -17.978 1.00 0.00 N ATOM 1683 CA SER A 114 30.697 8.154 -18.343 1.00 0.00 C ATOM 1684 C SER A 114 31.619 7.818 -17.170 1.00 0.00 C ATOM 1685 O SER A 114 31.154 7.604 -16.051 1.00 0.00 O ATOM 1686 CB SER A 114 30.889 9.611 -18.769 1.00 0.00 C ATOM 1687 OG SER A 114 30.387 10.523 -17.797 1.00 0.00 O ATOM 0 H SER A 114 28.963 8.461 -17.206 1.00 0.00 H new ATOM 0 HA SER A 114 30.953 7.519 -19.191 1.00 0.00 H new ATOM 0 HB2 SER A 114 31.949 9.804 -18.933 1.00 0.00 H new ATOM 0 HB3 SER A 114 30.383 9.780 -19.720 1.00 0.00 H new ATOM 0 HG SER A 114 30.530 11.442 -18.106 1.00 0.00 H new ATOM 1693 N GLY A 115 32.910 7.783 -17.465 1.00 0.00 N ATOM 1694 CA GLY A 115 33.902 7.477 -16.448 1.00 0.00 C ATOM 1695 C GLY A 115 34.913 8.617 -16.307 1.00 0.00 C ATOM 1696 O GLY A 115 36.037 8.519 -16.797 1.00 0.00 O ATOM 0 H GLY A 115 33.292 7.961 -18.394 1.00 0.00 H new ATOM 0 HA2 GLY A 115 33.407 7.305 -15.492 1.00 0.00 H new ATOM 0 HA3 GLY A 115 34.422 6.555 -16.708 1.00 0.00 H new ATOM 1700 N PRO A 116 34.465 9.700 -15.617 1.00 0.00 N ATOM 1701 CA PRO A 116 35.317 10.858 -15.406 1.00 0.00 C ATOM 1702 C PRO A 116 36.374 10.572 -14.337 1.00 0.00 C ATOM 1703 O PRO A 116 36.222 9.648 -13.540 1.00 0.00 O ATOM 1704 CB PRO A 116 34.368 11.979 -15.017 1.00 0.00 C ATOM 1705 CG PRO A 116 33.081 11.302 -14.574 1.00 0.00 C ATOM 1706 CD PRO A 116 33.140 9.851 -15.023 1.00 0.00 C ATOM 0 HA PRO A 116 35.888 11.128 -16.294 1.00 0.00 H new ATOM 0 HB2 PRO A 116 34.787 12.584 -14.213 1.00 0.00 H new ATOM 0 HB3 PRO A 116 34.188 12.648 -15.859 1.00 0.00 H new ATOM 0 HG2 PRO A 116 32.971 11.362 -13.491 1.00 0.00 H new ATOM 0 HG3 PRO A 116 32.217 11.802 -15.011 1.00 0.00 H new ATOM 0 HD2 PRO A 116 33.003 9.171 -14.183 1.00 0.00 H new ATOM 0 HD3 PRO A 116 32.355 9.628 -15.745 1.00 0.00 H new ATOM 1714 N SER A 117 37.422 11.382 -14.356 1.00 0.00 N ATOM 1715 CA SER A 117 38.505 11.228 -13.399 1.00 0.00 C ATOM 1716 C SER A 117 39.155 12.584 -13.122 1.00 0.00 C ATOM 1717 O SER A 117 38.919 13.550 -13.846 1.00 0.00 O ATOM 1718 CB SER A 117 39.550 10.231 -13.905 1.00 0.00 C ATOM 1719 OG SER A 117 39.572 9.039 -13.125 1.00 0.00 O ATOM 0 H SER A 117 37.545 12.147 -15.019 1.00 0.00 H new ATOM 0 HA SER A 117 38.088 10.836 -12.471 1.00 0.00 H new ATOM 0 HB2 SER A 117 39.338 9.980 -14.944 1.00 0.00 H new ATOM 0 HB3 SER A 117 40.535 10.696 -13.884 1.00 0.00 H new ATOM 0 HG SER A 117 40.250 8.428 -13.481 1.00 0.00 H new ATOM 1725 N SER A 118 39.963 12.614 -12.071 1.00 0.00 N ATOM 1726 CA SER A 118 40.649 13.837 -11.690 1.00 0.00 C ATOM 1727 C SER A 118 42.104 13.529 -11.331 1.00 0.00 C ATOM 1728 O SER A 118 42.376 12.621 -10.546 1.00 0.00 O ATOM 1729 CB SER A 118 39.946 14.520 -10.515 1.00 0.00 C ATOM 1730 OG SER A 118 38.641 14.974 -10.865 1.00 0.00 O ATOM 0 H SER A 118 40.157 11.811 -11.472 1.00 0.00 H new ATOM 0 HA SER A 118 40.627 14.521 -12.539 1.00 0.00 H new ATOM 0 HB2 SER A 118 39.876 13.823 -9.680 1.00 0.00 H new ATOM 0 HB3 SER A 118 40.545 15.365 -10.176 1.00 0.00 H new ATOM 0 HG SER A 118 38.225 15.403 -10.088 1.00 0.00 H new ATOM 1736 N GLY A 119 43.003 14.303 -11.923 1.00 0.00 N ATOM 1737 CA GLY A 119 44.423 14.125 -11.675 1.00 0.00 C ATOM 1738 C GLY A 119 45.239 15.240 -12.333 1.00 0.00 C ATOM 1739 O GLY A 119 45.185 16.390 -11.901 1.00 0.00 O ATOM 0 H GLY A 119 42.775 15.055 -12.574 1.00 0.00 H new ATOM 0 HA2 GLY A 119 44.610 14.118 -10.601 1.00 0.00 H new ATOM 0 HA3 GLY A 119 44.745 13.158 -12.061 1.00 0.00 H new TER 1743 GLY A 119