USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 857 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.626 USER MOD Single : A 14 LYS NZ :NH3+ -138:sc= -1.78! (180deg=-3.65!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 94:sc= -1.1 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -3.42! C(o=-3.4!,f=-7!) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.143 F(o=-0.75,f=-0.14) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -46:sc= -2.29 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -7.41! C(o=-7.4!,f=-8.8!) USER MOD Single : A 44 HIS : no HD1:sc= 0.726 K(o=0.73,f=-3.2!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 53 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.044) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0594) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 46:sc= 0.591 USER MOD Single : A 78 MET CE :methyl -158:sc= -1.45 (180deg=-2.7!) USER MOD Single : A 80 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-1.9) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -3.51 F(o=-4.5!,f=-3.5) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 132:sc= -0.691 (180deg=-3.05!) USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0833) USER MOD Single : A 99 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-3.9!) USER MOD Single : A 100 SER OG : rot -83:sc= -0.596 USER MOD Single : A 103 ASN : amide:sc= -0.075 X(o=-0.075,f=-0.015) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 20.067 5.445 -16.957 1.00 0.00 N ATOM 2 CA GLY A -6 21.120 5.078 -16.029 1.00 0.00 C ATOM 3 C GLY A -6 20.581 4.466 -14.751 1.00 0.00 C ATOM 4 O GLY A -6 20.922 3.336 -14.404 1.00 0.00 O ATOM 0 H1 GLY A -6 20.488 5.858 -17.814 1.00 0.00 H new ATOM 0 H2 GLY A -6 19.520 4.599 -17.214 1.00 0.00 H new ATOM 0 H3 GLY A -6 19.437 6.142 -16.510 1.00 0.00 H new ATOM 0 HA2 GLY A -6 21.794 4.370 -16.511 1.00 0.00 H new ATOM 0 HA3 GLY A -6 21.709 5.962 -15.784 1.00 0.00 H new ATOM 8 N SER A -5 19.737 5.215 -14.049 1.00 0.00 N ATOM 9 CA SER A -5 19.154 4.742 -12.799 1.00 0.00 C ATOM 10 C SER A -5 20.243 4.394 -11.789 1.00 0.00 C ATOM 11 O SER A -5 20.157 3.383 -11.091 1.00 0.00 O ATOM 12 CB SER A -5 18.270 3.520 -13.055 1.00 0.00 C ATOM 13 OG SER A -5 17.090 3.881 -13.753 1.00 0.00 O ATOM 0 H SER A -5 19.442 6.152 -14.324 1.00 0.00 H new ATOM 0 HA SER A -5 18.542 5.544 -12.385 1.00 0.00 H new ATOM 0 HB2 SER A -5 18.825 2.780 -13.631 1.00 0.00 H new ATOM 0 HB3 SER A -5 18.006 3.053 -12.106 1.00 0.00 H new ATOM 0 HG SER A -5 16.543 3.082 -13.906 1.00 0.00 H new ATOM 19 N SER A -4 21.267 5.238 -11.717 1.00 0.00 N ATOM 20 CA SER A -4 22.375 5.018 -10.795 1.00 0.00 C ATOM 21 C SER A -4 22.449 6.135 -9.758 1.00 0.00 C ATOM 22 O SER A -4 22.531 5.879 -8.558 1.00 0.00 O ATOM 23 CB SER A -4 23.695 4.932 -11.563 1.00 0.00 C ATOM 24 OG SER A -4 23.696 3.830 -12.454 1.00 0.00 O ATOM 0 H SER A -4 21.352 6.080 -12.286 1.00 0.00 H new ATOM 0 HA SER A -4 22.202 4.075 -10.276 1.00 0.00 H new ATOM 0 HB2 SER A -4 23.856 5.855 -12.121 1.00 0.00 H new ATOM 0 HB3 SER A -4 24.523 4.836 -10.860 1.00 0.00 H new ATOM 0 HG SER A -4 24.550 3.798 -12.934 1.00 0.00 H new ATOM 30 N GLY A -3 22.420 7.377 -10.232 1.00 0.00 N ATOM 31 CA GLY A -3 22.485 8.516 -9.335 1.00 0.00 C ATOM 32 C GLY A -3 23.132 9.726 -9.978 1.00 0.00 C ATOM 33 O GLY A -3 24.143 10.231 -9.490 1.00 0.00 O ATOM 0 H GLY A -3 22.353 7.615 -11.222 1.00 0.00 H new ATOM 0 HA2 GLY A -3 21.478 8.776 -9.010 1.00 0.00 H new ATOM 0 HA3 GLY A -3 23.046 8.240 -8.442 1.00 0.00 H new ATOM 37 N SER A -2 22.549 10.191 -11.079 1.00 0.00 N ATOM 38 CA SER A -2 23.079 11.346 -11.794 1.00 0.00 C ATOM 39 C SER A -2 22.436 12.636 -11.294 1.00 0.00 C ATOM 40 O SER A -2 23.124 13.613 -11.001 1.00 0.00 O ATOM 41 CB SER A -2 22.843 11.194 -13.298 1.00 0.00 C ATOM 42 OG SER A -2 23.398 9.984 -13.782 1.00 0.00 O ATOM 0 H SER A -2 21.710 9.786 -11.495 1.00 0.00 H new ATOM 0 HA SER A -2 24.151 11.398 -11.606 1.00 0.00 H new ATOM 0 HB2 SER A -2 21.773 11.215 -13.505 1.00 0.00 H new ATOM 0 HB3 SER A -2 23.287 12.038 -13.826 1.00 0.00 H new ATOM 0 HG SER A -2 23.232 9.910 -14.745 1.00 0.00 H new ATOM 48 N SER A -1 21.110 12.631 -11.200 1.00 0.00 N ATOM 49 CA SER A -1 20.371 13.801 -10.740 1.00 0.00 C ATOM 50 C SER A -1 20.601 14.037 -9.250 1.00 0.00 C ATOM 51 O SER A -1 20.929 15.146 -8.829 1.00 0.00 O ATOM 52 CB SER A -1 18.877 13.628 -11.016 1.00 0.00 C ATOM 53 OG SER A -1 18.596 13.747 -12.400 1.00 0.00 O ATOM 0 H SER A -1 20.525 11.829 -11.436 1.00 0.00 H new ATOM 0 HA SER A -1 20.736 14.669 -11.288 1.00 0.00 H new ATOM 0 HB2 SER A -1 18.549 12.652 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A -1 18.313 14.378 -10.462 1.00 0.00 H new ATOM 0 HG SER A -1 17.635 13.631 -12.550 1.00 0.00 H new ATOM 59 N GLY A 0 20.427 12.985 -8.457 1.00 0.00 N ATOM 60 CA GLY A 0 20.618 13.097 -7.023 1.00 0.00 C ATOM 61 C GLY A 0 21.779 12.257 -6.526 1.00 0.00 C ATOM 62 O GLY A 0 21.778 11.036 -6.673 1.00 0.00 O ATOM 0 H GLY A 0 20.157 12.057 -8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 0 20.791 14.141 -6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 0 19.706 12.789 -6.513 1.00 0.00 H new ATOM 66 N MET A 1 22.772 12.914 -5.936 1.00 0.00 N ATOM 67 CA MET A 1 23.945 12.220 -5.416 1.00 0.00 C ATOM 68 C MET A 1 23.743 11.832 -3.955 1.00 0.00 C ATOM 69 O MET A 1 23.714 10.650 -3.615 1.00 0.00 O ATOM 70 CB MET A 1 25.189 13.100 -5.555 1.00 0.00 C ATOM 71 CG MET A 1 25.912 12.923 -6.880 1.00 0.00 C ATOM 72 SD MET A 1 27.589 13.587 -6.850 1.00 0.00 S ATOM 73 CE MET A 1 28.532 12.146 -7.342 1.00 0.00 C ATOM 0 H MET A 1 22.788 13.926 -5.806 1.00 0.00 H new ATOM 0 HA MET A 1 24.086 11.310 -5.999 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.899 14.145 -5.445 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.878 12.873 -4.741 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.950 11.863 -7.130 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.344 13.417 -7.668 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.592 12.397 -7.370 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.369 11.342 -6.624 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.210 11.821 -8.331 1.00 0.00 H new ATOM 83 N MET A 2 23.604 12.836 -3.094 1.00 0.00 N ATOM 84 CA MET A 2 23.404 12.598 -1.670 1.00 0.00 C ATOM 85 C MET A 2 21.953 12.854 -1.274 1.00 0.00 C ATOM 86 O MET A 2 21.250 11.945 -0.833 1.00 0.00 O ATOM 87 CB MET A 2 24.335 13.491 -0.847 1.00 0.00 C ATOM 88 CG MET A 2 24.675 12.918 0.520 1.00 0.00 C ATOM 89 SD MET A 2 25.823 11.531 0.425 1.00 0.00 S ATOM 90 CE MET A 2 26.546 11.577 2.063 1.00 0.00 C ATOM 0 H MET A 2 23.626 13.821 -3.358 1.00 0.00 H new ATOM 0 HA MET A 2 23.639 11.553 -1.465 1.00 0.00 H new ATOM 0 HB2 MET A 2 25.258 13.651 -1.404 1.00 0.00 H new ATOM 0 HB3 MET A 2 23.868 14.467 -0.717 1.00 0.00 H new ATOM 0 HG2 MET A 2 25.109 13.702 1.141 1.00 0.00 H new ATOM 0 HG3 MET A 2 23.758 12.593 1.012 1.00 0.00 H new ATOM 0 HE1 MET A 2 27.279 10.776 2.160 1.00 0.00 H new ATOM 0 HE2 MET A 2 27.036 12.538 2.218 1.00 0.00 H new ATOM 0 HE3 MET A 2 25.763 11.444 2.810 1.00 0.00 H new ATOM 100 N LEU A 3 21.512 14.097 -1.434 1.00 0.00 N ATOM 101 CA LEU A 3 20.144 14.473 -1.093 1.00 0.00 C ATOM 102 C LEU A 3 19.839 15.894 -1.555 1.00 0.00 C ATOM 103 O LEU A 3 20.710 16.763 -1.540 1.00 0.00 O ATOM 104 CB LEU A 3 19.924 14.356 0.416 1.00 0.00 C ATOM 105 CG LEU A 3 20.169 15.626 1.231 1.00 0.00 C ATOM 106 CD1 LEU A 3 18.931 16.509 1.230 1.00 0.00 C ATOM 107 CD2 LEU A 3 20.577 15.277 2.655 1.00 0.00 C ATOM 0 H LEU A 3 22.081 14.861 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 3 19.466 13.791 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 3 18.899 14.030 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 3 20.577 13.571 0.798 1.00 0.00 H new ATOM 0 HG LEU A 3 20.985 16.180 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 3 19.125 17.408 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.685 16.789 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 3 18.095 15.964 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 3 20.747 16.194 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 3 19.783 14.700 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 3 21.493 14.687 2.637 1.00 0.00 H new ATOM 119 N GLY A 4 18.595 16.125 -1.962 1.00 0.00 N ATOM 120 CA GLY A 4 18.196 17.443 -2.420 1.00 0.00 C ATOM 121 C GLY A 4 16.901 17.416 -3.207 1.00 0.00 C ATOM 122 O GLY A 4 16.116 16.471 -3.120 1.00 0.00 O ATOM 0 H GLY A 4 17.856 15.423 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.082 18.104 -1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.987 17.863 -3.042 1.00 0.00 H new ATOM 126 N PRO A 5 16.660 18.474 -3.995 1.00 0.00 N ATOM 127 CA PRO A 5 15.451 18.592 -4.815 1.00 0.00 C ATOM 128 C PRO A 5 15.437 17.602 -5.974 1.00 0.00 C ATOM 129 O PRO A 5 14.447 17.492 -6.696 1.00 0.00 O ATOM 130 CB PRO A 5 15.517 20.029 -5.340 1.00 0.00 C ATOM 131 CG PRO A 5 16.967 20.372 -5.321 1.00 0.00 C ATOM 132 CD PRO A 5 17.552 19.636 -4.148 1.00 0.00 C ATOM 0 HA PRO A 5 14.549 18.373 -4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 5 15.106 20.102 -6.347 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.941 20.707 -4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 5 17.451 20.072 -6.250 1.00 0.00 H new ATOM 0 HG3 PRO A 5 17.112 21.447 -5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.581 19.330 -4.338 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.564 20.255 -3.251 1.00 0.00 H new ATOM 140 N GLU A 6 16.542 16.883 -6.146 1.00 0.00 N ATOM 141 CA GLU A 6 16.656 15.902 -7.218 1.00 0.00 C ATOM 142 C GLU A 6 16.800 14.492 -6.653 1.00 0.00 C ATOM 143 O GLU A 6 16.270 13.531 -7.209 1.00 0.00 O ATOM 144 CB GLU A 6 17.852 16.228 -8.114 1.00 0.00 C ATOM 145 CG GLU A 6 17.643 17.455 -8.986 1.00 0.00 C ATOM 146 CD GLU A 6 18.938 18.185 -9.286 1.00 0.00 C ATOM 147 OE1 GLU A 6 19.980 17.512 -9.430 1.00 0.00 O ATOM 148 OE2 GLU A 6 18.908 19.430 -9.378 1.00 0.00 O ATOM 0 H GLU A 6 17.371 16.962 -5.557 1.00 0.00 H new ATOM 0 HA GLU A 6 15.743 15.945 -7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 6 18.732 16.382 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 6 18.061 15.370 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.174 17.155 -9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 6 16.953 18.136 -8.488 1.00 0.00 H new ATOM 155 N GLY A 7 17.521 14.377 -5.542 1.00 0.00 N ATOM 156 CA GLY A 7 17.723 13.081 -4.919 1.00 0.00 C ATOM 157 C GLY A 7 16.939 12.929 -3.631 1.00 0.00 C ATOM 158 O GLY A 7 16.301 13.874 -3.169 1.00 0.00 O ATOM 0 H GLY A 7 17.969 15.158 -5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.427 12.296 -5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.784 12.941 -4.713 1.00 0.00 H new ATOM 162 N GLY A 8 16.986 11.734 -3.049 1.00 0.00 N ATOM 163 CA GLY A 8 16.269 11.483 -1.812 1.00 0.00 C ATOM 164 C GLY A 8 15.404 10.241 -1.886 1.00 0.00 C ATOM 165 O GLY A 8 15.271 9.511 -0.905 1.00 0.00 O ATOM 0 H GLY A 8 17.507 10.936 -3.412 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.984 11.376 -0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.644 12.344 -1.577 1.00 0.00 H new ATOM 169 N GLU A 9 14.812 10.002 -3.052 1.00 0.00 N ATOM 170 CA GLU A 9 13.953 8.841 -3.249 1.00 0.00 C ATOM 171 C GLU A 9 14.584 7.589 -2.646 1.00 0.00 C ATOM 172 O GLU A 9 15.753 7.592 -2.263 1.00 0.00 O ATOM 173 CB GLU A 9 13.684 8.623 -4.739 1.00 0.00 C ATOM 174 CG GLU A 9 14.946 8.420 -5.561 1.00 0.00 C ATOM 175 CD GLU A 9 15.783 9.680 -5.667 1.00 0.00 C ATOM 176 OE1 GLU A 9 15.196 10.769 -5.840 1.00 0.00 O ATOM 177 OE2 GLU A 9 17.024 9.577 -5.576 1.00 0.00 O ATOM 0 H GLU A 9 14.912 10.597 -3.874 1.00 0.00 H new ATOM 0 HA GLU A 9 13.007 9.031 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.038 7.754 -4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.139 9.482 -5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.544 7.628 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.673 8.084 -6.562 1.00 0.00 H new ATOM 184 N GLY A 10 13.799 6.518 -2.565 1.00 0.00 N ATOM 185 CA GLY A 10 14.297 5.274 -2.007 1.00 0.00 C ATOM 186 C GLY A 10 13.568 4.062 -2.552 1.00 0.00 C ATOM 187 O GLY A 10 12.580 4.196 -3.274 1.00 0.00 O ATOM 0 H GLY A 10 12.828 6.490 -2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.361 5.182 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.194 5.299 -0.922 1.00 0.00 H new ATOM 191 N TYR A 11 14.056 2.876 -2.206 1.00 0.00 N ATOM 192 CA TYR A 11 13.446 1.635 -2.668 1.00 0.00 C ATOM 193 C TYR A 11 12.036 1.478 -2.106 1.00 0.00 C ATOM 194 O TYR A 11 11.853 1.277 -0.905 1.00 0.00 O ATOM 195 CB TYR A 11 14.306 0.437 -2.261 1.00 0.00 C ATOM 196 CG TYR A 11 15.747 0.547 -2.706 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.074 0.625 -4.054 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.781 0.572 -1.778 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.389 0.725 -4.465 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.098 0.674 -2.180 1.00 0.00 C ATOM 201 CZ TYR A 11 18.398 0.750 -3.524 1.00 0.00 C ATOM 202 OH TYR A 11 19.709 0.849 -3.928 1.00 0.00 O ATOM 0 H TYR A 11 14.872 2.748 -1.607 1.00 0.00 H new ATOM 0 HA TYR A 11 13.381 1.675 -3.755 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.276 0.331 -1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 11 13.873 -0.470 -2.682 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.287 0.607 -4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.551 0.511 -0.725 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.626 0.783 -5.517 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.889 0.694 -1.445 1.00 0.00 H new ATOM 0 HH TYR A 11 20.294 0.855 -3.142 1.00 0.00 H new ATOM 212 N VAL A 12 11.042 1.571 -2.984 1.00 0.00 N ATOM 213 CA VAL A 12 9.649 1.437 -2.577 1.00 0.00 C ATOM 214 C VAL A 12 8.852 0.634 -3.599 1.00 0.00 C ATOM 215 O VAL A 12 9.219 0.564 -4.772 1.00 0.00 O ATOM 216 CB VAL A 12 8.984 2.815 -2.393 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.515 2.654 -2.032 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.716 3.622 -1.332 1.00 0.00 C ATOM 0 H VAL A 12 11.176 1.739 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 12 9.647 0.909 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 12 9.045 3.358 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.061 3.637 -1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.001 2.117 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.428 2.092 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.233 4.592 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.688 3.086 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.753 3.767 -1.636 1.00 0.00 H new ATOM 228 N VAL A 13 7.760 0.027 -3.146 1.00 0.00 N ATOM 229 CA VAL A 13 6.910 -0.771 -4.021 1.00 0.00 C ATOM 230 C VAL A 13 5.435 -0.558 -3.698 1.00 0.00 C ATOM 231 O VAL A 13 5.058 -0.400 -2.537 1.00 0.00 O ATOM 232 CB VAL A 13 7.237 -2.272 -3.905 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.625 -2.560 -4.457 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.123 -2.732 -2.459 1.00 0.00 C ATOM 0 H VAL A 13 7.443 0.073 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 13 7.108 -0.441 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 13 6.513 -2.831 -4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.839 -3.625 -4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.667 -2.269 -5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.366 -1.992 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.357 -3.795 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.823 -2.169 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.107 -2.563 -2.102 1.00 0.00 H new ATOM 244 N LYS A 14 4.603 -0.555 -4.734 1.00 0.00 N ATOM 245 CA LYS A 14 3.168 -0.362 -4.563 1.00 0.00 C ATOM 246 C LYS A 14 2.409 -1.656 -4.841 1.00 0.00 C ATOM 247 O LYS A 14 2.622 -2.305 -5.866 1.00 0.00 O ATOM 248 CB LYS A 14 2.667 0.745 -5.492 1.00 0.00 C ATOM 249 CG LYS A 14 1.166 0.709 -5.728 1.00 0.00 C ATOM 250 CD LYS A 14 0.747 1.695 -6.805 1.00 0.00 C ATOM 251 CE LYS A 14 0.397 3.052 -6.213 1.00 0.00 C ATOM 252 NZ LYS A 14 -0.661 2.946 -5.171 1.00 0.00 N ATOM 0 H LYS A 14 4.898 -0.684 -5.702 1.00 0.00 H new ATOM 0 HA LYS A 14 2.986 -0.069 -3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.937 1.713 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.179 0.663 -6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.867 -0.298 -6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.645 0.941 -4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.554 1.810 -7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.113 1.300 -7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.291 3.500 -5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.060 3.718 -7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.341 3.724 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.155 2.036 -5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.226 3.004 -4.228 1.00 0.00 H new ATOM 266 N LEU A 15 1.522 -2.025 -3.924 1.00 0.00 N ATOM 267 CA LEU A 15 0.729 -3.240 -4.071 1.00 0.00 C ATOM 268 C LEU A 15 -0.732 -2.907 -4.356 1.00 0.00 C ATOM 269 O LEU A 15 -1.349 -2.116 -3.642 1.00 0.00 O ATOM 270 CB LEU A 15 0.832 -4.096 -2.807 1.00 0.00 C ATOM 271 CG LEU A 15 2.237 -4.557 -2.420 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.233 -5.176 -1.031 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.775 -5.545 -3.445 1.00 0.00 C ATOM 0 H LEU A 15 1.334 -1.500 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 15 1.125 -3.802 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.415 -3.530 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.205 -4.978 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 15 2.893 -3.686 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.242 -5.498 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.891 -4.438 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.563 -6.036 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.776 -5.863 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.118 -6.414 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.816 -5.067 -4.424 1.00 0.00 H new ATOM 285 N ARG A 16 -1.279 -3.517 -5.402 1.00 0.00 N ATOM 286 CA ARG A 16 -2.668 -3.286 -5.781 1.00 0.00 C ATOM 287 C ARG A 16 -3.468 -4.584 -5.735 1.00 0.00 C ATOM 288 O ARG A 16 -2.900 -5.676 -5.744 1.00 0.00 O ATOM 289 CB ARG A 16 -2.742 -2.678 -7.183 1.00 0.00 C ATOM 290 CG ARG A 16 -3.975 -1.819 -7.410 1.00 0.00 C ATOM 291 CD ARG A 16 -3.810 -0.916 -8.623 1.00 0.00 C ATOM 292 NE ARG A 16 -5.052 -0.230 -8.968 1.00 0.00 N ATOM 293 CZ ARG A 16 -6.101 -0.838 -9.511 1.00 0.00 C ATOM 294 NH1 ARG A 16 -6.058 -2.137 -9.769 1.00 0.00 N ATOM 295 NH2 ARG A 16 -7.196 -0.145 -9.797 1.00 0.00 N ATOM 0 H ARG A 16 -0.782 -4.175 -6.002 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.102 -2.587 -5.066 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.852 -2.073 -7.355 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.729 -3.481 -7.919 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.846 -2.460 -7.548 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.164 -1.211 -6.525 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.032 -0.179 -8.423 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.475 -1.509 -9.474 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.118 0.771 -8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.218 -2.673 -9.551 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.865 -2.601 -10.186 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.233 0.855 -9.600 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.001 -0.612 -10.214 1.00 0.00 H new ATOM 309 N GLY A 17 -4.790 -4.458 -5.684 1.00 0.00 N ATOM 310 CA GLY A 17 -5.646 -5.628 -5.637 1.00 0.00 C ATOM 311 C GLY A 17 -5.726 -6.232 -4.249 1.00 0.00 C ATOM 312 O GLY A 17 -6.221 -7.347 -4.076 1.00 0.00 O ATOM 0 H GLY A 17 -5.284 -3.566 -5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.648 -5.355 -5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.271 -6.377 -6.335 1.00 0.00 H new ATOM 316 N LEU A 18 -5.236 -5.497 -3.256 1.00 0.00 N ATOM 317 CA LEU A 18 -5.252 -5.968 -1.876 1.00 0.00 C ATOM 318 C LEU A 18 -6.671 -5.964 -1.316 1.00 0.00 C ATOM 319 O LEU A 18 -7.500 -5.123 -1.664 1.00 0.00 O ATOM 320 CB LEU A 18 -4.347 -5.092 -1.007 1.00 0.00 C ATOM 321 CG LEU A 18 -2.856 -5.127 -1.345 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.148 -3.914 -0.761 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.223 -6.413 -0.836 1.00 0.00 C ATOM 0 H LEU A 18 -4.823 -4.573 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.878 -6.992 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.692 -4.061 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.471 -5.395 0.033 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.748 -5.098 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.088 -3.956 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.583 -3.004 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.265 -3.911 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.162 -6.420 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.342 -6.473 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.711 -7.268 -1.303 1.00 0.00 H new ATOM 335 N PRO A 19 -6.958 -6.925 -0.425 1.00 0.00 N ATOM 336 CA PRO A 19 -8.276 -7.052 0.205 1.00 0.00 C ATOM 337 C PRO A 19 -8.561 -5.920 1.186 1.00 0.00 C ATOM 338 O PRO A 19 -7.649 -5.396 1.825 1.00 0.00 O ATOM 339 CB PRO A 19 -8.188 -8.390 0.943 1.00 0.00 C ATOM 340 CG PRO A 19 -6.735 -8.586 1.202 1.00 0.00 C ATOM 341 CD PRO A 19 -6.018 -7.960 0.037 1.00 0.00 C ATOM 0 HA PRO A 19 -9.084 -7.005 -0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.756 -8.367 1.873 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.596 -9.202 0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.439 -8.117 2.140 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.493 -9.646 1.285 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.062 -7.530 0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.808 -8.690 -0.745 1.00 0.00 H new ATOM 349 N TRP A 20 -9.831 -5.549 1.301 1.00 0.00 N ATOM 350 CA TRP A 20 -10.236 -4.479 2.205 1.00 0.00 C ATOM 351 C TRP A 20 -9.878 -4.821 3.647 1.00 0.00 C ATOM 352 O TRP A 20 -9.969 -3.974 4.536 1.00 0.00 O ATOM 353 CB TRP A 20 -11.740 -4.225 2.087 1.00 0.00 C ATOM 354 CG TRP A 20 -12.117 -3.456 0.857 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.400 -3.358 -0.301 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.302 -2.675 0.664 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.067 -2.564 -1.202 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.237 -2.133 -0.634 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.412 -2.383 1.461 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.240 -1.316 -1.150 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.406 -1.572 0.948 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.315 -1.047 -0.348 1.00 0.00 C ATOM 0 H TRP A 20 -10.598 -5.973 0.779 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.699 -3.574 1.921 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.264 -5.181 2.084 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.079 -3.678 2.967 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.448 -3.835 -0.482 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.744 -2.333 -2.141 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.492 -2.784 2.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.171 -0.909 -2.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.268 -1.339 1.556 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.109 -0.418 -0.721 1.00 0.00 H new ATOM 373 N SER A 21 -9.470 -6.066 3.872 1.00 0.00 N ATOM 374 CA SER A 21 -9.101 -6.519 5.208 1.00 0.00 C ATOM 375 C SER A 21 -7.604 -6.796 5.294 1.00 0.00 C ATOM 376 O SER A 21 -7.140 -7.490 6.200 1.00 0.00 O ATOM 377 CB SER A 21 -9.886 -7.780 5.576 1.00 0.00 C ATOM 378 OG SER A 21 -10.094 -7.861 6.976 1.00 0.00 O ATOM 0 H SER A 21 -9.387 -6.778 3.147 1.00 0.00 H new ATOM 0 HA SER A 21 -9.347 -5.726 5.914 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.847 -7.777 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.345 -8.662 5.234 1.00 0.00 H new ATOM 0 HG SER A 21 -10.599 -8.674 7.185 1.00 0.00 H new ATOM 384 N CYS A 22 -6.852 -6.249 4.345 1.00 0.00 N ATOM 385 CA CYS A 22 -5.406 -6.437 4.311 1.00 0.00 C ATOM 386 C CYS A 22 -4.736 -5.708 5.471 1.00 0.00 C ATOM 387 O CYS A 22 -5.023 -4.540 5.732 1.00 0.00 O ATOM 388 CB CYS A 22 -4.837 -5.937 2.982 1.00 0.00 C ATOM 389 SG CYS A 22 -3.110 -6.391 2.701 1.00 0.00 S ATOM 0 H CYS A 22 -7.220 -5.672 3.589 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.200 -7.503 4.408 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.443 -6.334 2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.927 -4.851 2.946 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.057 -7.492 2.012 1.00 0.00 H new ATOM 395 N SER A 23 -3.844 -6.407 6.165 1.00 0.00 N ATOM 396 CA SER A 23 -3.136 -5.828 7.302 1.00 0.00 C ATOM 397 C SER A 23 -1.627 -5.887 7.090 1.00 0.00 C ATOM 398 O SER A 23 -1.122 -6.762 6.385 1.00 0.00 O ATOM 399 CB SER A 23 -3.511 -6.563 8.590 1.00 0.00 C ATOM 400 OG SER A 23 -4.867 -6.336 8.931 1.00 0.00 O ATOM 0 H SER A 23 -3.594 -7.375 5.961 1.00 0.00 H new ATOM 0 HA SER A 23 -3.432 -4.783 7.389 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.338 -7.632 8.466 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.867 -6.229 9.404 1.00 0.00 H new ATOM 0 HG SER A 23 -5.082 -6.818 9.757 1.00 0.00 H new ATOM 406 N ILE A 24 -0.912 -4.950 7.704 1.00 0.00 N ATOM 407 CA ILE A 24 0.539 -4.896 7.584 1.00 0.00 C ATOM 408 C ILE A 24 1.143 -6.296 7.576 1.00 0.00 C ATOM 409 O ILE A 24 2.009 -6.604 6.758 1.00 0.00 O ATOM 410 CB ILE A 24 1.169 -4.084 8.731 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.699 -2.629 8.673 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.687 -4.159 8.662 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.068 -1.826 9.901 1.00 0.00 C ATOM 0 H ILE A 24 -1.314 -4.218 8.289 1.00 0.00 H new ATOM 0 HA ILE A 24 0.759 -4.403 6.637 1.00 0.00 H new ATOM 0 HB ILE A 24 0.846 -4.513 9.680 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.130 -2.151 7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.384 -2.610 8.548 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.117 -3.580 9.479 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.004 -5.198 8.747 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.028 -3.752 7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.704 -0.805 9.791 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.615 -2.280 10.782 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.152 -1.814 10.016 1.00 0.00 H new ATOM 425 N GLU A 25 0.678 -7.141 8.491 1.00 0.00 N ATOM 426 CA GLU A 25 1.173 -8.509 8.588 1.00 0.00 C ATOM 427 C GLU A 25 1.068 -9.222 7.243 1.00 0.00 C ATOM 428 O GLU A 25 2.032 -9.826 6.772 1.00 0.00 O ATOM 429 CB GLU A 25 0.390 -9.284 9.650 1.00 0.00 C ATOM 430 CG GLU A 25 0.806 -8.954 11.074 1.00 0.00 C ATOM 431 CD GLU A 25 0.022 -7.796 11.658 1.00 0.00 C ATOM 432 OE1 GLU A 25 -1.205 -7.734 11.431 1.00 0.00 O ATOM 433 OE2 GLU A 25 0.635 -6.950 12.343 1.00 0.00 O ATOM 0 H GLU A 25 -0.040 -6.902 9.175 1.00 0.00 H new ATOM 0 HA GLU A 25 2.223 -8.469 8.878 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.673 -9.072 9.533 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.523 -10.352 9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.668 -9.834 11.702 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.869 -8.713 11.091 1.00 0.00 H new ATOM 440 N ASP A 26 -0.109 -9.147 6.631 1.00 0.00 N ATOM 441 CA ASP A 26 -0.340 -9.784 5.339 1.00 0.00 C ATOM 442 C ASP A 26 0.654 -9.279 4.298 1.00 0.00 C ATOM 443 O ASP A 26 1.084 -10.028 3.421 1.00 0.00 O ATOM 444 CB ASP A 26 -1.771 -9.522 4.867 1.00 0.00 C ATOM 445 CG ASP A 26 -2.760 -10.522 5.432 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.464 -11.734 5.397 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.832 -10.092 5.909 1.00 0.00 O ATOM 0 H ASP A 26 -0.917 -8.652 7.008 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.196 -10.858 5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.069 -8.515 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.804 -9.559 3.778 1.00 0.00 H new ATOM 452 N VAL A 27 1.014 -8.004 4.400 1.00 0.00 N ATOM 453 CA VAL A 27 1.957 -7.398 3.468 1.00 0.00 C ATOM 454 C VAL A 27 3.380 -7.870 3.742 1.00 0.00 C ATOM 455 O VAL A 27 4.091 -8.291 2.830 1.00 0.00 O ATOM 456 CB VAL A 27 1.913 -5.861 3.544 1.00 0.00 C ATOM 457 CG1 VAL A 27 2.836 -5.248 2.503 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.488 -5.359 3.366 1.00 0.00 C ATOM 0 H VAL A 27 0.666 -7.370 5.120 1.00 0.00 H new ATOM 0 HA VAL A 27 1.660 -7.712 2.468 1.00 0.00 H new ATOM 0 HB VAL A 27 2.262 -5.554 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.791 -4.161 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.858 -5.581 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.521 -5.561 1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.476 -4.271 3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.109 -5.676 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.144 -5.770 4.153 1.00 0.00 H new ATOM 468 N GLN A 28 3.789 -7.796 5.005 1.00 0.00 N ATOM 469 CA GLN A 28 5.129 -8.216 5.399 1.00 0.00 C ATOM 470 C GLN A 28 5.417 -9.636 4.923 1.00 0.00 C ATOM 471 O GLN A 28 6.448 -9.896 4.306 1.00 0.00 O ATOM 472 CB GLN A 28 5.285 -8.133 6.919 1.00 0.00 C ATOM 473 CG GLN A 28 5.180 -6.718 7.465 1.00 0.00 C ATOM 474 CD GLN A 28 5.360 -6.658 8.969 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.390 -6.733 9.725 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.604 -6.523 9.412 1.00 0.00 N ATOM 0 H GLN A 28 3.212 -7.450 5.772 1.00 0.00 H new ATOM 0 HA GLN A 28 5.846 -7.543 4.929 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.521 -8.752 7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.252 -8.551 7.200 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.933 -6.092 6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.207 -6.303 7.202 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.378 -6.465 8.750 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.786 -6.477 10.415 1.00 0.00 H new ATOM 485 N ASN A 29 4.498 -10.550 5.216 1.00 0.00 N ATOM 486 CA ASN A 29 4.654 -11.945 4.818 1.00 0.00 C ATOM 487 C ASN A 29 4.580 -12.090 3.301 1.00 0.00 C ATOM 488 O ASN A 29 5.324 -12.868 2.704 1.00 0.00 O ATOM 489 CB ASN A 29 3.577 -12.809 5.477 1.00 0.00 C ATOM 490 CG ASN A 29 3.590 -12.696 6.989 1.00 0.00 C ATOM 491 OD1 ASN A 29 2.445 -12.352 7.567 1.00 0.00 O flip ATOM 492 ND2 ASN A 29 4.618 -12.916 7.630 1.00 0.00 N flip ATOM 0 H ASN A 29 3.638 -10.351 5.727 1.00 0.00 H new ATOM 0 HA ASN A 29 5.635 -12.283 5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.597 -12.513 5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.726 -13.850 5.192 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.476 -13.178 7.144 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.612 -12.837 8.647 1.00 0.00 H new ATOM 499 N PHE A 30 3.679 -11.333 2.683 1.00 0.00 N ATOM 500 CA PHE A 30 3.507 -11.377 1.236 1.00 0.00 C ATOM 501 C PHE A 30 4.816 -11.052 0.523 1.00 0.00 C ATOM 502 O PHE A 30 5.171 -11.690 -0.470 1.00 0.00 O ATOM 503 CB PHE A 30 2.418 -10.394 0.800 1.00 0.00 C ATOM 504 CG PHE A 30 2.191 -10.371 -0.685 1.00 0.00 C ATOM 505 CD1 PHE A 30 3.064 -9.694 -1.521 1.00 0.00 C ATOM 506 CD2 PHE A 30 1.106 -11.026 -1.243 1.00 0.00 C ATOM 507 CE1 PHE A 30 2.857 -9.670 -2.888 1.00 0.00 C ATOM 508 CE2 PHE A 30 0.894 -11.006 -2.609 1.00 0.00 C ATOM 509 CZ PHE A 30 1.771 -10.328 -3.432 1.00 0.00 C ATOM 0 H PHE A 30 3.057 -10.682 3.162 1.00 0.00 H new ATOM 0 HA PHE A 30 3.205 -12.388 0.962 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.484 -10.654 1.298 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.689 -9.392 1.134 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.915 -9.179 -1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.417 -11.559 -0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.543 -9.138 -3.530 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.043 -11.520 -3.032 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.608 -10.312 -4.500 1.00 0.00 H new ATOM 519 N LEU A 31 5.531 -10.056 1.035 1.00 0.00 N ATOM 520 CA LEU A 31 6.801 -9.645 0.448 1.00 0.00 C ATOM 521 C LEU A 31 7.975 -10.163 1.273 1.00 0.00 C ATOM 522 O LEU A 31 8.995 -9.488 1.411 1.00 0.00 O ATOM 523 CB LEU A 31 6.868 -8.120 0.346 1.00 0.00 C ATOM 524 CG LEU A 31 5.728 -7.448 -0.418 1.00 0.00 C ATOM 525 CD1 LEU A 31 5.817 -5.935 -0.289 1.00 0.00 C ATOM 526 CD2 LEU A 31 5.750 -7.862 -1.883 1.00 0.00 C ATOM 0 H LEU A 31 5.252 -9.518 1.856 1.00 0.00 H new ATOM 0 HA LEU A 31 6.867 -10.073 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.894 -7.709 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.809 -7.849 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 31 4.783 -7.774 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.997 -5.474 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.751 -5.655 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.767 -5.590 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.931 -7.374 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.699 -7.566 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.636 -8.943 -1.957 1.00 0.00 H new ATOM 538 N SER A 32 7.824 -11.366 1.817 1.00 0.00 N ATOM 539 CA SER A 32 8.871 -11.975 2.629 1.00 0.00 C ATOM 540 C SER A 32 10.193 -12.020 1.868 1.00 0.00 C ATOM 541 O SER A 32 11.268 -11.962 2.464 1.00 0.00 O ATOM 542 CB SER A 32 8.464 -13.388 3.050 1.00 0.00 C ATOM 543 OG SER A 32 8.169 -14.191 1.920 1.00 0.00 O ATOM 0 H SER A 32 6.987 -11.938 1.710 1.00 0.00 H new ATOM 0 HA SER A 32 9.006 -11.363 3.521 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.269 -13.846 3.625 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.593 -13.340 3.703 1.00 0.00 H new ATOM 0 HG SER A 32 7.913 -15.090 2.215 1.00 0.00 H new ATOM 549 N ASP A 33 10.103 -12.123 0.546 1.00 0.00 N ATOM 550 CA ASP A 33 11.291 -12.175 -0.299 1.00 0.00 C ATOM 551 C ASP A 33 12.082 -10.874 -0.205 1.00 0.00 C ATOM 552 O ASP A 33 13.283 -10.845 -0.477 1.00 0.00 O ATOM 553 CB ASP A 33 10.897 -12.443 -1.752 1.00 0.00 C ATOM 554 CG ASP A 33 10.188 -13.772 -1.924 1.00 0.00 C ATOM 555 OD1 ASP A 33 9.457 -14.179 -0.997 1.00 0.00 O ATOM 556 OD2 ASP A 33 10.363 -14.404 -2.987 1.00 0.00 O ATOM 0 H ASP A 33 9.221 -12.172 0.037 1.00 0.00 H new ATOM 0 HA ASP A 33 11.923 -12.990 0.054 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.249 -11.640 -2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.790 -12.428 -2.376 1.00 0.00 H new ATOM 561 N CYS A 34 11.401 -9.800 0.181 1.00 0.00 N ATOM 562 CA CYS A 34 12.040 -8.495 0.309 1.00 0.00 C ATOM 563 C CYS A 34 12.321 -8.169 1.772 1.00 0.00 C ATOM 564 O CYS A 34 11.750 -8.779 2.677 1.00 0.00 O ATOM 565 CB CYS A 34 11.158 -7.410 -0.308 1.00 0.00 C ATOM 566 SG CYS A 34 9.913 -6.740 0.820 1.00 0.00 S ATOM 0 H CYS A 34 10.407 -9.807 0.411 1.00 0.00 H new ATOM 0 HA CYS A 34 12.989 -8.528 -0.226 1.00 0.00 H new ATOM 0 HB2 CYS A 34 11.793 -6.595 -0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.656 -7.820 -1.184 1.00 0.00 H new ATOM 0 HG CYS A 34 9.314 -7.716 1.434 1.00 0.00 H new ATOM 572 N THR A 35 13.205 -7.202 1.999 1.00 0.00 N ATOM 573 CA THR A 35 13.564 -6.796 3.352 1.00 0.00 C ATOM 574 C THR A 35 12.970 -5.434 3.692 1.00 0.00 C ATOM 575 O THR A 35 13.674 -4.423 3.697 1.00 0.00 O ATOM 576 CB THR A 35 15.092 -6.737 3.534 1.00 0.00 C ATOM 577 OG1 THR A 35 15.654 -8.046 3.385 1.00 0.00 O ATOM 578 CG2 THR A 35 15.453 -6.177 4.901 1.00 0.00 C ATOM 0 H THR A 35 13.686 -6.685 1.262 1.00 0.00 H new ATOM 0 HA THR A 35 13.154 -7.547 4.027 1.00 0.00 H new ATOM 0 HB THR A 35 15.502 -6.077 2.769 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.626 -8.000 3.500 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.537 -6.145 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 35 15.049 -5.169 5.000 1.00 0.00 H new ATOM 0 HG23 THR A 35 15.032 -6.815 5.678 1.00 0.00 H new ATOM 586 N ILE A 36 11.673 -5.414 3.978 1.00 0.00 N ATOM 587 CA ILE A 36 10.986 -4.175 4.323 1.00 0.00 C ATOM 588 C ILE A 36 11.729 -3.421 5.420 1.00 0.00 C ATOM 589 O ILE A 36 12.054 -3.985 6.465 1.00 0.00 O ATOM 590 CB ILE A 36 9.542 -4.443 4.786 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.750 -5.145 3.682 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.864 -3.140 5.185 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.519 -5.865 4.186 1.00 0.00 C ATOM 0 H ILE A 36 11.076 -6.241 3.978 1.00 0.00 H new ATOM 0 HA ILE A 36 10.962 -3.565 3.420 1.00 0.00 H new ATOM 0 HB ILE A 36 9.571 -5.097 5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.450 -4.408 2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.400 -5.861 3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.844 -3.345 5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.418 -2.676 6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.843 -2.464 4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.007 -6.340 3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.813 -6.625 4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.849 -5.150 4.663 1.00 0.00 H new ATOM 605 N HIS A 37 11.994 -2.142 5.176 1.00 0.00 N ATOM 606 CA HIS A 37 12.698 -1.308 6.144 1.00 0.00 C ATOM 607 C HIS A 37 11.830 -1.055 7.374 1.00 0.00 C ATOM 608 O HIS A 37 10.678 -0.639 7.257 1.00 0.00 O ATOM 609 CB HIS A 37 13.100 0.022 5.507 1.00 0.00 C ATOM 610 CG HIS A 37 13.397 1.099 6.505 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.669 1.371 6.963 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.578 1.975 7.132 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.619 2.366 7.830 1.00 0.00 C ATOM 614 NE2 HIS A 37 13.361 2.751 7.950 1.00 0.00 N ATOM 0 H HIS A 37 11.732 -1.660 4.316 1.00 0.00 H new ATOM 0 HA HIS A 37 13.598 -1.838 6.457 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.979 -0.135 4.882 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.298 0.358 4.850 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.507 2.050 7.011 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.463 2.792 8.352 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.026 3.503 8.553 1.00 0.00 H new ATOM 623 N ASP A 38 12.392 -1.309 8.550 1.00 0.00 N ATOM 624 CA ASP A 38 11.670 -1.108 9.801 1.00 0.00 C ATOM 625 C ASP A 38 10.396 -1.946 9.834 1.00 0.00 C ATOM 626 O ASP A 38 9.440 -1.613 10.533 1.00 0.00 O ATOM 627 CB ASP A 38 11.328 0.371 9.986 1.00 0.00 C ATOM 628 CG ASP A 38 12.563 1.251 10.018 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.653 0.757 9.663 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.438 2.434 10.398 1.00 0.00 O ATOM 0 H ASP A 38 13.345 -1.654 8.664 1.00 0.00 H new ATOM 0 HA ASP A 38 12.315 -1.428 10.619 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.676 0.694 9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.770 0.499 10.914 1.00 0.00 H new ATOM 635 N GLY A 39 10.390 -3.035 9.071 1.00 0.00 N ATOM 636 CA GLY A 39 9.227 -3.903 9.026 1.00 0.00 C ATOM 637 C GLY A 39 7.925 -3.127 9.035 1.00 0.00 C ATOM 638 O GLY A 39 7.735 -2.208 8.239 1.00 0.00 O ATOM 0 H GLY A 39 11.169 -3.332 8.483 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.272 -4.520 8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.249 -4.580 9.880 1.00 0.00 H new ATOM 642 N VAL A 40 7.022 -3.500 9.938 1.00 0.00 N ATOM 643 CA VAL A 40 5.730 -2.833 10.047 1.00 0.00 C ATOM 644 C VAL A 40 5.875 -1.324 9.886 1.00 0.00 C ATOM 645 O VAL A 40 4.979 -0.656 9.370 1.00 0.00 O ATOM 646 CB VAL A 40 5.057 -3.132 11.399 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.787 -4.622 11.544 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.917 -2.623 12.546 1.00 0.00 C ATOM 0 H VAL A 40 7.162 -4.260 10.604 1.00 0.00 H new ATOM 0 HA VAL A 40 5.104 -3.222 9.244 1.00 0.00 H new ATOM 0 HB VAL A 40 4.101 -2.610 11.432 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.311 -4.814 12.506 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.128 -4.952 10.741 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.728 -5.169 11.489 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.426 -2.843 13.494 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.889 -3.115 12.518 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.053 -1.546 12.449 1.00 0.00 H new ATOM 658 N ALA A 41 7.009 -0.793 10.330 1.00 0.00 N ATOM 659 CA ALA A 41 7.273 0.637 10.234 1.00 0.00 C ATOM 660 C ALA A 41 7.779 1.009 8.844 1.00 0.00 C ATOM 661 O ALA A 41 8.460 2.019 8.671 1.00 0.00 O ATOM 662 CB ALA A 41 8.277 1.061 11.295 1.00 0.00 C ATOM 0 H ALA A 41 7.760 -1.332 10.760 1.00 0.00 H new ATOM 0 HA ALA A 41 6.336 1.167 10.405 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.465 2.131 11.211 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.877 0.839 12.284 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.210 0.517 11.151 1.00 0.00 H new ATOM 668 N GLY A 42 7.442 0.185 7.856 1.00 0.00 N ATOM 669 CA GLY A 42 7.872 0.445 6.495 1.00 0.00 C ATOM 670 C GLY A 42 6.738 0.330 5.496 1.00 0.00 C ATOM 671 O GLY A 42 6.848 0.798 4.363 1.00 0.00 O ATOM 0 H GLY A 42 6.879 -0.657 7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.302 1.445 6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.661 -0.257 6.226 1.00 0.00 H new ATOM 675 N VAL A 43 5.644 -0.298 5.916 1.00 0.00 N ATOM 676 CA VAL A 43 4.484 -0.474 5.050 1.00 0.00 C ATOM 677 C VAL A 43 3.510 0.690 5.192 1.00 0.00 C ATOM 678 O VAL A 43 3.165 1.094 6.303 1.00 0.00 O ATOM 679 CB VAL A 43 3.744 -1.788 5.364 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.534 -1.950 4.456 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.686 -2.975 5.229 1.00 0.00 C ATOM 0 H VAL A 43 5.537 -0.693 6.850 1.00 0.00 H new ATOM 0 HA VAL A 43 4.856 -0.510 4.026 1.00 0.00 H new ATOM 0 HB VAL A 43 3.391 -1.749 6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.024 -2.884 4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.851 -1.115 4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.859 -1.968 3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.147 -3.895 5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.071 -3.020 4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.517 -2.861 5.926 1.00 0.00 H new ATOM 691 N HIS A 44 3.070 1.227 4.058 1.00 0.00 N ATOM 692 CA HIS A 44 2.134 2.346 4.055 1.00 0.00 C ATOM 693 C HIS A 44 0.902 2.021 3.215 1.00 0.00 C ATOM 694 O HIS A 44 1.002 1.793 2.010 1.00 0.00 O ATOM 695 CB HIS A 44 2.814 3.605 3.518 1.00 0.00 C ATOM 696 CG HIS A 44 4.156 3.868 4.129 1.00 0.00 C ATOM 697 ND1 HIS A 44 4.356 4.785 5.140 1.00 0.00 N ATOM 698 CD2 HIS A 44 5.369 3.327 3.869 1.00 0.00 C ATOM 699 CE1 HIS A 44 5.634 4.798 5.473 1.00 0.00 C ATOM 700 NE2 HIS A 44 6.270 3.922 4.717 1.00 0.00 N ATOM 0 H HIS A 44 3.346 0.906 3.130 1.00 0.00 H new ATOM 0 HA HIS A 44 1.815 2.524 5.082 1.00 0.00 H new ATOM 0 HB2 HIS A 44 2.927 3.514 2.438 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.167 4.463 3.700 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.587 2.569 3.132 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.082 5.419 6.234 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.269 3.720 4.757 1.00 0.00 H new ATOM 709 N PHE A 45 -0.260 2.002 3.860 1.00 0.00 N ATOM 710 CA PHE A 45 -1.511 1.704 3.173 1.00 0.00 C ATOM 711 C PHE A 45 -2.129 2.972 2.593 1.00 0.00 C ATOM 712 O PHE A 45 -1.858 4.078 3.062 1.00 0.00 O ATOM 713 CB PHE A 45 -2.498 1.036 4.133 1.00 0.00 C ATOM 714 CG PHE A 45 -2.225 -0.425 4.352 1.00 0.00 C ATOM 715 CD1 PHE A 45 -2.707 -1.374 3.465 1.00 0.00 C ATOM 716 CD2 PHE A 45 -1.488 -0.849 5.446 1.00 0.00 C ATOM 717 CE1 PHE A 45 -2.458 -2.719 3.664 1.00 0.00 C ATOM 718 CE2 PHE A 45 -1.236 -2.193 5.650 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.722 -3.129 4.758 1.00 0.00 C ATOM 0 H PHE A 45 -0.361 2.189 4.858 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.292 1.020 2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.465 1.552 5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.509 1.154 3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.284 -1.059 2.608 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.106 -0.122 6.147 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.839 -3.448 2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.660 -2.511 6.506 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.527 -4.179 4.916 1.00 0.00 H new ATOM 729 N ILE A 46 -2.959 2.804 1.569 1.00 0.00 N ATOM 730 CA ILE A 46 -3.615 3.935 0.924 1.00 0.00 C ATOM 731 C ILE A 46 -5.095 3.990 1.285 1.00 0.00 C ATOM 732 O ILE A 46 -5.747 2.956 1.435 1.00 0.00 O ATOM 733 CB ILE A 46 -3.473 3.869 -0.608 1.00 0.00 C ATOM 734 CG1 ILE A 46 -2.013 3.633 -0.997 1.00 0.00 C ATOM 735 CG2 ILE A 46 -3.997 5.149 -1.243 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.124 4.835 -0.766 1.00 0.00 C ATOM 0 H ILE A 46 -3.193 1.896 1.168 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.121 4.836 1.287 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.067 3.033 -0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.625 2.789 -0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.966 3.354 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.890 5.088 -2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.049 5.277 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.427 6.000 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.103 4.595 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.487 5.675 -1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.140 5.102 0.291 1.00 0.00 H new ATOM 748 N TYR A 47 -5.621 5.202 1.422 1.00 0.00 N ATOM 749 CA TYR A 47 -7.025 5.393 1.765 1.00 0.00 C ATOM 750 C TYR A 47 -7.674 6.428 0.852 1.00 0.00 C ATOM 751 O TYR A 47 -6.991 7.134 0.109 1.00 0.00 O ATOM 752 CB TYR A 47 -7.159 5.829 3.225 1.00 0.00 C ATOM 753 CG TYR A 47 -6.647 4.805 4.213 1.00 0.00 C ATOM 754 CD1 TYR A 47 -5.287 4.542 4.328 1.00 0.00 C ATOM 755 CD2 TYR A 47 -7.522 4.101 5.031 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.814 3.607 5.228 1.00 0.00 C ATOM 757 CE2 TYR A 47 -7.058 3.165 5.935 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.703 2.922 6.030 1.00 0.00 C ATOM 759 OH TYR A 47 -5.237 1.990 6.929 1.00 0.00 O ATOM 0 H TYR A 47 -5.095 6.068 1.301 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.539 4.442 1.627 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.615 6.763 3.368 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.208 6.035 3.439 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.588 5.078 3.703 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.583 4.289 4.959 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.754 3.413 5.303 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.752 2.627 6.564 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.992 1.599 7.416 1.00 0.00 H new ATOM 769 N THR A 48 -8.999 6.512 0.911 1.00 0.00 N ATOM 770 CA THR A 48 -9.743 7.459 0.090 1.00 0.00 C ATOM 771 C THR A 48 -10.174 8.673 0.905 1.00 0.00 C ATOM 772 O THR A 48 -10.088 8.671 2.133 1.00 0.00 O ATOM 773 CB THR A 48 -10.990 6.804 -0.533 1.00 0.00 C ATOM 774 OG1 THR A 48 -11.924 6.453 0.494 1.00 0.00 O ATOM 775 CG2 THR A 48 -10.610 5.563 -1.326 1.00 0.00 C ATOM 0 H THR A 48 -9.580 5.935 1.520 1.00 0.00 H new ATOM 0 HA THR A 48 -9.073 7.780 -0.708 1.00 0.00 H new ATOM 0 HB THR A 48 -11.450 7.522 -1.211 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.715 6.039 0.089 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.507 5.118 -1.757 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.922 5.839 -2.125 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.128 4.842 -0.665 1.00 0.00 H new ATOM 783 N ARG A 49 -10.638 9.709 0.214 1.00 0.00 N ATOM 784 CA ARG A 49 -11.082 10.931 0.874 1.00 0.00 C ATOM 785 C ARG A 49 -12.213 10.638 1.856 1.00 0.00 C ATOM 786 O ARG A 49 -12.499 11.440 2.744 1.00 0.00 O ATOM 787 CB ARG A 49 -11.545 11.956 -0.162 1.00 0.00 C ATOM 788 CG ARG A 49 -12.924 11.667 -0.732 1.00 0.00 C ATOM 789 CD ARG A 49 -14.018 12.325 0.094 1.00 0.00 C ATOM 790 NE ARG A 49 -14.251 13.709 -0.309 1.00 0.00 N ATOM 791 CZ ARG A 49 -15.021 14.056 -1.333 1.00 0.00 C ATOM 792 NH1 ARG A 49 -15.630 13.126 -2.055 1.00 0.00 N ATOM 793 NH2 ARG A 49 -15.184 15.338 -1.638 1.00 0.00 N ATOM 0 H ARG A 49 -10.716 9.727 -0.803 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.239 11.341 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.551 12.945 0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.823 11.986 -0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.977 12.027 -1.760 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.088 10.590 -0.762 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.942 11.757 -0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.743 12.296 1.148 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.797 14.450 0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.508 12.140 -1.824 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.221 13.396 -2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.717 16.057 -1.085 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.776 15.604 -2.425 1.00 0.00 H new ATOM 807 N GLU A 50 -12.851 9.483 1.689 1.00 0.00 N ATOM 808 CA GLU A 50 -13.951 9.086 2.560 1.00 0.00 C ATOM 809 C GLU A 50 -13.429 8.378 3.807 1.00 0.00 C ATOM 810 O GLU A 50 -14.003 8.498 4.888 1.00 0.00 O ATOM 811 CB GLU A 50 -14.920 8.172 1.809 1.00 0.00 C ATOM 812 CG GLU A 50 -15.640 8.859 0.661 1.00 0.00 C ATOM 813 CD GLU A 50 -16.928 8.157 0.275 1.00 0.00 C ATOM 814 OE1 GLU A 50 -16.973 6.912 0.364 1.00 0.00 O ATOM 815 OE2 GLU A 50 -17.889 8.852 -0.115 1.00 0.00 O ATOM 0 H GLU A 50 -12.625 8.807 0.959 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.480 9.988 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.370 7.315 1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.659 7.785 2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.862 9.889 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.979 8.899 -0.205 1.00 0.00 H new ATOM 822 N GLY A 51 -12.335 7.639 3.646 1.00 0.00 N ATOM 823 CA GLY A 51 -11.754 6.922 4.766 1.00 0.00 C ATOM 824 C GLY A 51 -11.862 5.418 4.610 1.00 0.00 C ATOM 825 O GLY A 51 -12.107 4.702 5.581 1.00 0.00 O ATOM 0 H GLY A 51 -11.841 7.524 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.705 7.199 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.253 7.226 5.686 1.00 0.00 H new ATOM 829 N ARG A 52 -11.680 4.937 3.384 1.00 0.00 N ATOM 830 CA ARG A 52 -11.761 3.509 3.104 1.00 0.00 C ATOM 831 C ARG A 52 -10.429 2.981 2.578 1.00 0.00 C ATOM 832 O ARG A 52 -9.521 3.755 2.277 1.00 0.00 O ATOM 833 CB ARG A 52 -12.870 3.229 2.088 1.00 0.00 C ATOM 834 CG ARG A 52 -14.248 3.668 2.554 1.00 0.00 C ATOM 835 CD ARG A 52 -15.342 2.792 1.964 1.00 0.00 C ATOM 836 NE ARG A 52 -16.675 3.239 2.359 1.00 0.00 N ATOM 837 CZ ARG A 52 -17.747 2.456 2.342 1.00 0.00 C ATOM 838 NH1 ARG A 52 -17.644 1.193 1.951 1.00 0.00 N ATOM 839 NH2 ARG A 52 -18.927 2.935 2.716 1.00 0.00 N ATOM 0 H ARG A 52 -11.476 5.516 2.569 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.993 2.994 4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.632 3.738 1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.892 2.161 1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.295 3.627 3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.417 4.706 2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.265 2.799 0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.195 1.762 2.287 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.789 4.205 2.665 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.739 0.821 1.662 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.469 0.594 1.939 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.011 3.906 3.017 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.750 2.332 2.702 1.00 0.00 H new ATOM 853 N GLN A 53 -10.322 1.661 2.471 1.00 0.00 N ATOM 854 CA GLN A 53 -9.101 1.031 1.983 1.00 0.00 C ATOM 855 C GLN A 53 -9.169 0.808 0.475 1.00 0.00 C ATOM 856 O GLN A 53 -9.541 -0.271 0.014 1.00 0.00 O ATOM 857 CB GLN A 53 -8.869 -0.301 2.698 1.00 0.00 C ATOM 858 CG GLN A 53 -8.181 -0.156 4.045 1.00 0.00 C ATOM 859 CD GLN A 53 -7.540 -1.447 4.516 1.00 0.00 C ATOM 860 OE1 GLN A 53 -7.771 -1.895 5.639 1.00 0.00 O ATOM 861 NE2 GLN A 53 -6.730 -2.054 3.656 1.00 0.00 N ATOM 0 H GLN A 53 -11.066 1.007 2.716 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.267 1.699 2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.828 -0.799 2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.266 -0.947 2.059 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.419 0.620 3.977 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.908 0.175 4.786 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.567 -1.647 2.735 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.271 -2.927 3.917 1.00 0.00 H new ATOM 870 N SER A 54 -8.809 1.835 -0.287 1.00 0.00 N ATOM 871 CA SER A 54 -8.833 1.752 -1.743 1.00 0.00 C ATOM 872 C SER A 54 -8.191 0.454 -2.224 1.00 0.00 C ATOM 873 O SER A 54 -8.540 -0.070 -3.280 1.00 0.00 O ATOM 874 CB SER A 54 -8.106 2.951 -2.355 1.00 0.00 C ATOM 875 OG SER A 54 -8.394 3.070 -3.737 1.00 0.00 O ATOM 0 H SER A 54 -8.497 2.735 0.079 1.00 0.00 H new ATOM 0 HA SER A 54 -9.874 1.763 -2.066 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.404 3.863 -1.838 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.031 2.840 -2.212 1.00 0.00 H new ATOM 0 HG SER A 54 -7.919 3.844 -4.105 1.00 0.00 H new ATOM 881 N GLY A 55 -7.249 -0.059 -1.438 1.00 0.00 N ATOM 882 CA GLY A 55 -6.572 -1.291 -1.800 1.00 0.00 C ATOM 883 C GLY A 55 -5.079 -1.101 -1.982 1.00 0.00 C ATOM 884 O GLY A 55 -4.284 -1.931 -1.545 1.00 0.00 O ATOM 0 H GLY A 55 -6.943 0.356 -0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.748 -2.039 -1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.001 -1.680 -2.724 1.00 0.00 H new ATOM 888 N GLU A 56 -4.699 -0.005 -2.632 1.00 0.00 N ATOM 889 CA GLU A 56 -3.291 0.289 -2.873 1.00 0.00 C ATOM 890 C GLU A 56 -2.538 0.460 -1.557 1.00 0.00 C ATOM 891 O GLU A 56 -3.048 1.058 -0.610 1.00 0.00 O ATOM 892 CB GLU A 56 -3.150 1.555 -3.721 1.00 0.00 C ATOM 893 CG GLU A 56 -3.660 1.393 -5.144 1.00 0.00 C ATOM 894 CD GLU A 56 -4.186 2.691 -5.726 1.00 0.00 C ATOM 895 OE1 GLU A 56 -5.165 3.234 -5.173 1.00 0.00 O ATOM 896 OE2 GLU A 56 -3.618 3.163 -6.733 1.00 0.00 O ATOM 0 H GLU A 56 -5.345 0.693 -3.000 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.858 -0.553 -3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.694 2.368 -3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.100 1.847 -3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.854 1.017 -5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.452 0.645 -5.159 1.00 0.00 H new ATOM 903 N ALA A 57 -1.321 -0.071 -1.505 1.00 0.00 N ATOM 904 CA ALA A 57 -0.496 0.023 -0.307 1.00 0.00 C ATOM 905 C ALA A 57 0.987 -0.049 -0.654 1.00 0.00 C ATOM 906 O ALA A 57 1.463 -1.054 -1.183 1.00 0.00 O ATOM 907 CB ALA A 57 -0.865 -1.079 0.675 1.00 0.00 C ATOM 0 H ALA A 57 -0.884 -0.571 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.686 0.989 0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.241 -0.997 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.913 -0.980 0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.705 -2.051 0.208 1.00 0.00 H new ATOM 913 N PHE A 58 1.713 1.023 -0.354 1.00 0.00 N ATOM 914 CA PHE A 58 3.142 1.082 -0.636 1.00 0.00 C ATOM 915 C PHE A 58 3.933 0.281 0.394 1.00 0.00 C ATOM 916 O PHE A 58 3.376 -0.213 1.374 1.00 0.00 O ATOM 917 CB PHE A 58 3.622 2.534 -0.647 1.00 0.00 C ATOM 918 CG PHE A 58 3.173 3.305 -1.855 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.828 3.564 -2.067 1.00 0.00 C ATOM 920 CD2 PHE A 58 4.094 3.771 -2.779 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.412 4.273 -3.178 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.684 4.480 -3.892 1.00 0.00 C ATOM 923 CZ PHE A 58 2.341 4.732 -4.091 1.00 0.00 C ATOM 0 H PHE A 58 1.335 1.863 0.084 1.00 0.00 H new ATOM 0 HA PHE A 58 3.311 0.644 -1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.258 3.035 0.250 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.711 2.549 -0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.097 3.208 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.146 3.578 -2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.361 4.468 -3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.413 4.836 -4.605 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.018 5.287 -4.959 1.00 0.00 H new ATOM 933 N VAL A 59 5.237 0.156 0.164 1.00 0.00 N ATOM 934 CA VAL A 59 6.106 -0.585 1.071 1.00 0.00 C ATOM 935 C VAL A 59 7.560 -0.155 0.912 1.00 0.00 C ATOM 936 O VAL A 59 8.086 -0.113 -0.199 1.00 0.00 O ATOM 937 CB VAL A 59 6.002 -2.103 0.833 1.00 0.00 C ATOM 938 CG1 VAL A 59 6.913 -2.857 1.790 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.561 -2.567 0.980 1.00 0.00 C ATOM 0 H VAL A 59 5.714 0.558 -0.643 1.00 0.00 H new ATOM 0 HA VAL A 59 5.772 -0.360 2.084 1.00 0.00 H new ATOM 0 HB VAL A 59 6.327 -2.317 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.826 -3.928 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.945 -2.544 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.621 -2.640 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.506 -3.642 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.207 -2.341 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.936 -2.051 0.251 1.00 0.00 H new ATOM 949 N GLU A 60 8.203 0.163 2.031 1.00 0.00 N ATOM 950 CA GLU A 60 9.597 0.590 2.015 1.00 0.00 C ATOM 951 C GLU A 60 10.535 -0.610 2.108 1.00 0.00 C ATOM 952 O GLU A 60 10.302 -1.536 2.886 1.00 0.00 O ATOM 953 CB GLU A 60 9.871 1.556 3.170 1.00 0.00 C ATOM 954 CG GLU A 60 9.406 2.977 2.900 1.00 0.00 C ATOM 955 CD GLU A 60 9.804 3.941 4.000 1.00 0.00 C ATOM 956 OE1 GLU A 60 9.044 4.066 4.983 1.00 0.00 O ATOM 957 OE2 GLU A 60 10.876 4.569 3.878 1.00 0.00 O ATOM 0 H GLU A 60 7.781 0.133 2.959 1.00 0.00 H new ATOM 0 HA GLU A 60 9.782 1.102 1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.376 1.185 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.941 1.566 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.825 3.319 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.322 2.985 2.790 1.00 0.00 H new ATOM 964 N LEU A 61 11.595 -0.587 1.308 1.00 0.00 N ATOM 965 CA LEU A 61 12.569 -1.673 1.298 1.00 0.00 C ATOM 966 C LEU A 61 13.871 -1.243 1.966 1.00 0.00 C ATOM 967 O LEU A 61 14.010 -0.098 2.396 1.00 0.00 O ATOM 968 CB LEU A 61 12.844 -2.125 -0.137 1.00 0.00 C ATOM 969 CG LEU A 61 11.630 -2.597 -0.937 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.052 -3.070 -2.319 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.899 -3.705 -0.192 1.00 0.00 C ATOM 0 H LEU A 61 11.802 0.171 0.658 1.00 0.00 H new ATOM 0 HA LEU A 61 12.151 -2.507 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.309 -1.298 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.572 -2.936 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 61 10.948 -1.755 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.174 -3.402 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.530 -2.250 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.754 -3.898 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.037 -4.029 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.573 -4.548 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.562 -3.332 0.775 1.00 0.00 H new ATOM 983 N GLU A 62 14.822 -2.168 2.048 1.00 0.00 N ATOM 984 CA GLU A 62 16.113 -1.883 2.663 1.00 0.00 C ATOM 985 C GLU A 62 17.151 -1.517 1.605 1.00 0.00 C ATOM 986 O GLU A 62 17.903 -0.556 1.765 1.00 0.00 O ATOM 987 CB GLU A 62 16.596 -3.090 3.471 1.00 0.00 C ATOM 988 CG GLU A 62 17.976 -2.903 4.078 1.00 0.00 C ATOM 989 CD GLU A 62 18.161 -3.692 5.359 1.00 0.00 C ATOM 990 OE1 GLU A 62 18.278 -4.932 5.281 1.00 0.00 O ATOM 991 OE2 GLU A 62 18.190 -3.067 6.441 1.00 0.00 O ATOM 0 H GLU A 62 14.723 -3.120 1.697 1.00 0.00 H new ATOM 0 HA GLU A 62 15.987 -1.033 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.882 -3.292 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.608 -3.968 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.732 -3.209 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.139 -1.845 4.281 1.00 0.00 H new ATOM 998 N SER A 63 17.184 -2.291 0.525 1.00 0.00 N ATOM 999 CA SER A 63 18.131 -2.052 -0.558 1.00 0.00 C ATOM 1000 C SER A 63 17.463 -2.244 -1.916 1.00 0.00 C ATOM 1001 O SER A 63 16.262 -2.495 -1.998 1.00 0.00 O ATOM 1002 CB SER A 63 19.332 -2.991 -0.429 1.00 0.00 C ATOM 1003 OG SER A 63 19.961 -2.845 0.832 1.00 0.00 O ATOM 0 H SER A 63 16.566 -3.089 0.377 1.00 0.00 H new ATOM 0 HA SER A 63 18.476 -1.021 -0.486 1.00 0.00 H new ATOM 0 HB2 SER A 63 19.006 -4.023 -0.559 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.049 -2.781 -1.223 1.00 0.00 H new ATOM 0 HG SER A 63 20.724 -3.457 0.890 1.00 0.00 H new ATOM 1009 N GLU A 64 18.253 -2.123 -2.979 1.00 0.00 N ATOM 1010 CA GLU A 64 17.738 -2.283 -4.334 1.00 0.00 C ATOM 1011 C GLU A 64 17.202 -3.695 -4.549 1.00 0.00 C ATOM 1012 O GLU A 64 16.027 -3.882 -4.865 1.00 0.00 O ATOM 1013 CB GLU A 64 18.834 -1.980 -5.358 1.00 0.00 C ATOM 1014 CG GLU A 64 18.329 -1.919 -6.790 1.00 0.00 C ATOM 1015 CD GLU A 64 19.263 -1.154 -7.706 1.00 0.00 C ATOM 1016 OE1 GLU A 64 20.458 -1.511 -7.769 1.00 0.00 O ATOM 1017 OE2 GLU A 64 18.799 -0.197 -8.361 1.00 0.00 O ATOM 0 H GLU A 64 19.250 -1.915 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 64 16.918 -1.578 -4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.302 -1.028 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.608 -2.745 -5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.203 -2.933 -7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.346 -1.449 -6.805 1.00 0.00 H new ATOM 1024 N ASP A 65 18.071 -4.684 -4.377 1.00 0.00 N ATOM 1025 CA ASP A 65 17.686 -6.080 -4.552 1.00 0.00 C ATOM 1026 C ASP A 65 16.240 -6.303 -4.117 1.00 0.00 C ATOM 1027 O ASP A 65 15.453 -6.917 -4.837 1.00 0.00 O ATOM 1028 CB ASP A 65 18.618 -6.993 -3.754 1.00 0.00 C ATOM 1029 CG ASP A 65 18.478 -6.798 -2.257 1.00 0.00 C ATOM 1030 OD1 ASP A 65 17.635 -7.488 -1.645 1.00 0.00 O ATOM 1031 OD2 ASP A 65 19.210 -5.956 -1.697 1.00 0.00 O ATOM 0 H ASP A 65 19.047 -4.545 -4.116 1.00 0.00 H new ATOM 0 HA ASP A 65 17.771 -6.324 -5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 65 18.405 -8.032 -4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 65 19.650 -6.800 -4.048 1.00 0.00 H new ATOM 1036 N ASP A 66 15.900 -5.802 -2.935 1.00 0.00 N ATOM 1037 CA ASP A 66 14.549 -5.946 -2.404 1.00 0.00 C ATOM 1038 C ASP A 66 13.508 -5.631 -3.473 1.00 0.00 C ATOM 1039 O ASP A 66 12.566 -6.395 -3.683 1.00 0.00 O ATOM 1040 CB ASP A 66 14.352 -5.029 -1.196 1.00 0.00 C ATOM 1041 CG ASP A 66 15.089 -5.523 0.033 1.00 0.00 C ATOM 1042 OD1 ASP A 66 15.399 -6.732 0.093 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.358 -4.701 0.934 1.00 0.00 O ATOM 0 H ASP A 66 16.541 -5.293 -2.326 1.00 0.00 H new ATOM 0 HA ASP A 66 14.418 -6.981 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.698 -4.026 -1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.288 -4.952 -0.972 1.00 0.00 H new ATOM 1048 N VAL A 67 13.684 -4.498 -4.147 1.00 0.00 N ATOM 1049 CA VAL A 67 12.760 -4.081 -5.195 1.00 0.00 C ATOM 1050 C VAL A 67 12.578 -5.180 -6.236 1.00 0.00 C ATOM 1051 O VAL A 67 11.486 -5.727 -6.393 1.00 0.00 O ATOM 1052 CB VAL A 67 13.248 -2.800 -5.896 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.247 -2.353 -6.951 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.491 -1.696 -4.879 1.00 0.00 C ATOM 0 H VAL A 67 14.458 -3.853 -3.986 1.00 0.00 H new ATOM 0 HA VAL A 67 11.804 -3.880 -4.713 1.00 0.00 H new ATOM 0 HB VAL A 67 14.192 -3.018 -6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.609 -1.446 -7.435 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.128 -3.140 -7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.285 -2.152 -6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.835 -0.798 -5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.563 -1.478 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.249 -2.019 -4.165 1.00 0.00 H new ATOM 1064 N LYS A 68 13.654 -5.498 -6.947 1.00 0.00 N ATOM 1065 CA LYS A 68 13.616 -6.533 -7.973 1.00 0.00 C ATOM 1066 C LYS A 68 12.889 -7.775 -7.467 1.00 0.00 C ATOM 1067 O LYS A 68 12.099 -8.383 -8.191 1.00 0.00 O ATOM 1068 CB LYS A 68 15.036 -6.902 -8.408 1.00 0.00 C ATOM 1069 CG LYS A 68 15.875 -5.706 -8.823 1.00 0.00 C ATOM 1070 CD LYS A 68 17.235 -6.134 -9.347 1.00 0.00 C ATOM 1071 CE LYS A 68 18.225 -4.979 -9.339 1.00 0.00 C ATOM 1072 NZ LYS A 68 17.868 -3.937 -10.342 1.00 0.00 N ATOM 0 H LYS A 68 14.565 -5.053 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 68 13.071 -6.139 -8.831 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.535 -7.419 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.981 -7.603 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.349 -5.141 -9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.006 -5.039 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.621 -6.950 -8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.131 -6.518 -10.362 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.254 -4.532 -8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.226 -5.357 -9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.566 -3.167 -10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.865 -4.357 -11.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.923 -3.558 -10.128 1.00 0.00 H new ATOM 1086 N LEU A 69 13.159 -8.145 -6.220 1.00 0.00 N ATOM 1087 CA LEU A 69 12.529 -9.314 -5.616 1.00 0.00 C ATOM 1088 C LEU A 69 11.027 -9.103 -5.458 1.00 0.00 C ATOM 1089 O LEU A 69 10.229 -9.983 -5.778 1.00 0.00 O ATOM 1090 CB LEU A 69 13.160 -9.612 -4.255 1.00 0.00 C ATOM 1091 CG LEU A 69 14.672 -9.840 -4.251 1.00 0.00 C ATOM 1092 CD1 LEU A 69 15.230 -9.696 -2.844 1.00 0.00 C ATOM 1093 CD2 LEU A 69 15.006 -11.210 -4.822 1.00 0.00 C ATOM 0 H LEU A 69 13.810 -7.653 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 69 12.690 -10.165 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.936 -8.783 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.678 -10.497 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 69 15.136 -9.082 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.307 -9.862 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.023 -8.693 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.760 -10.430 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.086 -11.355 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.530 -11.982 -4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.641 -11.276 -5.847 1.00 0.00 H new ATOM 1105 N ALA A 70 10.649 -7.928 -4.964 1.00 0.00 N ATOM 1106 CA ALA A 70 9.242 -7.599 -4.767 1.00 0.00 C ATOM 1107 C ALA A 70 8.474 -7.665 -6.083 1.00 0.00 C ATOM 1108 O ALA A 70 7.345 -8.155 -6.131 1.00 0.00 O ATOM 1109 CB ALA A 70 9.106 -6.218 -4.143 1.00 0.00 C ATOM 0 H ALA A 70 11.297 -7.188 -4.693 1.00 0.00 H new ATOM 0 HA ALA A 70 8.813 -8.336 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.051 -5.985 -4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.613 -6.203 -3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.556 -5.475 -4.801 1.00 0.00 H new ATOM 1115 N LEU A 71 9.092 -7.168 -7.149 1.00 0.00 N ATOM 1116 CA LEU A 71 8.466 -7.170 -8.466 1.00 0.00 C ATOM 1117 C LEU A 71 8.159 -8.593 -8.922 1.00 0.00 C ATOM 1118 O LEU A 71 7.405 -8.804 -9.872 1.00 0.00 O ATOM 1119 CB LEU A 71 9.374 -6.480 -9.486 1.00 0.00 C ATOM 1120 CG LEU A 71 9.589 -4.979 -9.286 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.674 -4.467 -10.221 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.289 -4.220 -9.509 1.00 0.00 C ATOM 0 H LEU A 71 10.026 -6.759 -7.127 1.00 0.00 H new ATOM 0 HA LEU A 71 7.527 -6.621 -8.395 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.347 -6.972 -9.468 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.956 -6.638 -10.480 1.00 0.00 H new ATOM 0 HG LEU A 71 9.913 -4.811 -8.259 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.814 -3.397 -10.065 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.608 -4.989 -10.014 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.379 -4.647 -11.255 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.461 -3.154 -9.363 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.936 -4.394 -10.525 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.538 -4.568 -8.799 1.00 0.00 H new ATOM 1134 N LYS A 72 8.748 -9.567 -8.237 1.00 0.00 N ATOM 1135 CA LYS A 72 8.536 -10.972 -8.567 1.00 0.00 C ATOM 1136 C LYS A 72 7.226 -11.479 -7.974 1.00 0.00 C ATOM 1137 O LYS A 72 6.684 -12.493 -8.413 1.00 0.00 O ATOM 1138 CB LYS A 72 9.703 -11.819 -8.054 1.00 0.00 C ATOM 1139 CG LYS A 72 11.059 -11.351 -8.552 1.00 0.00 C ATOM 1140 CD LYS A 72 12.133 -12.399 -8.312 1.00 0.00 C ATOM 1141 CE LYS A 72 13.510 -11.887 -8.705 1.00 0.00 C ATOM 1142 NZ LYS A 72 14.594 -12.790 -8.230 1.00 0.00 N ATOM 0 H LYS A 72 9.376 -9.409 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 72 8.480 -11.060 -9.652 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.701 -11.804 -6.964 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.551 -12.854 -8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.999 -11.127 -9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.333 -10.425 -8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.136 -12.684 -7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.901 -13.297 -8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.566 -11.792 -9.789 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.659 -10.891 -8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.518 -12.349 -8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.485 -12.956 -7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.537 -13.697 -8.736 1.00 0.00 H new ATOM 1156 N LYS A 73 6.720 -10.766 -6.973 1.00 0.00 N ATOM 1157 CA LYS A 73 5.471 -11.141 -6.320 1.00 0.00 C ATOM 1158 C LYS A 73 4.273 -10.547 -7.054 1.00 0.00 C ATOM 1159 O LYS A 73 3.178 -10.454 -6.500 1.00 0.00 O ATOM 1160 CB LYS A 73 5.473 -10.674 -4.863 1.00 0.00 C ATOM 1161 CG LYS A 73 6.812 -10.853 -4.169 1.00 0.00 C ATOM 1162 CD LYS A 73 7.117 -12.319 -3.914 1.00 0.00 C ATOM 1163 CE LYS A 73 6.291 -12.868 -2.761 1.00 0.00 C ATOM 1164 NZ LYS A 73 6.111 -14.343 -2.861 1.00 0.00 N ATOM 0 H LYS A 73 7.156 -9.925 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 73 5.388 -12.228 -6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.193 -9.621 -4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.711 -11.226 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.601 -10.418 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.808 -10.312 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.913 -12.896 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.178 -12.438 -3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.778 -12.625 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.315 -12.383 -2.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.543 -14.679 -2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.623 -14.574 -3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.041 -14.808 -2.846 1.00 0.00 H new ATOM 1178 N ASP A 74 4.489 -10.148 -8.303 1.00 0.00 N ATOM 1179 CA ASP A 74 3.426 -9.565 -9.113 1.00 0.00 C ATOM 1180 C ASP A 74 2.346 -10.598 -9.418 1.00 0.00 C ATOM 1181 O ASP A 74 2.564 -11.801 -9.270 1.00 0.00 O ATOM 1182 CB ASP A 74 3.998 -9.007 -10.418 1.00 0.00 C ATOM 1183 CG ASP A 74 2.915 -8.627 -11.409 1.00 0.00 C ATOM 1184 OD1 ASP A 74 2.482 -9.508 -12.181 1.00 0.00 O ATOM 1185 OD2 ASP A 74 2.501 -7.449 -11.412 1.00 0.00 O ATOM 0 H ASP A 74 5.390 -10.218 -8.776 1.00 0.00 H new ATOM 0 HA ASP A 74 2.975 -8.751 -8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.609 -8.131 -10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.656 -9.750 -10.870 1.00 0.00 H new ATOM 1190 N ARG A 75 1.180 -10.121 -9.842 1.00 0.00 N ATOM 1191 CA ARG A 75 0.065 -11.003 -10.165 1.00 0.00 C ATOM 1192 C ARG A 75 0.078 -12.242 -9.275 1.00 0.00 C ATOM 1193 O ARG A 75 -0.240 -13.343 -9.724 1.00 0.00 O ATOM 1194 CB ARG A 75 0.124 -11.417 -11.636 1.00 0.00 C ATOM 1195 CG ARG A 75 1.044 -12.599 -11.899 1.00 0.00 C ATOM 1196 CD ARG A 75 1.633 -12.545 -13.300 1.00 0.00 C ATOM 1197 NE ARG A 75 2.896 -11.813 -13.334 1.00 0.00 N ATOM 1198 CZ ARG A 75 4.086 -12.394 -13.223 1.00 0.00 C ATOM 1199 NH1 ARG A 75 4.174 -13.708 -13.071 1.00 0.00 N ATOM 1200 NH2 ARG A 75 5.190 -11.660 -13.264 1.00 0.00 N ATOM 0 H ARG A 75 0.983 -9.128 -9.970 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.862 -10.458 -9.986 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.881 -11.667 -11.975 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.459 -10.567 -12.231 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.849 -12.605 -11.164 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.489 -13.529 -11.772 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.792 -13.559 -13.666 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.921 -12.071 -13.975 1.00 0.00 H new ATOM 0 HE ARG A 75 2.863 -10.800 -13.449 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.327 -14.276 -13.039 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.089 -14.151 -12.986 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.126 -10.649 -13.381 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.103 -12.107 -13.179 1.00 0.00 H new ATOM 1214 N GLU A 76 0.447 -12.054 -8.012 1.00 0.00 N ATOM 1215 CA GLU A 76 0.502 -13.158 -7.060 1.00 0.00 C ATOM 1216 C GLU A 76 -0.866 -13.401 -6.429 1.00 0.00 C ATOM 1217 O GLU A 76 -1.856 -12.773 -6.806 1.00 0.00 O ATOM 1218 CB GLU A 76 1.535 -12.869 -5.969 1.00 0.00 C ATOM 1219 CG GLU A 76 2.925 -13.388 -6.294 1.00 0.00 C ATOM 1220 CD GLU A 76 3.063 -14.879 -6.054 1.00 0.00 C ATOM 1221 OE1 GLU A 76 2.628 -15.350 -4.982 1.00 0.00 O ATOM 1222 OE2 GLU A 76 3.605 -15.575 -6.938 1.00 0.00 O ATOM 0 H GLU A 76 0.712 -11.149 -7.624 1.00 0.00 H new ATOM 0 HA GLU A 76 0.798 -14.056 -7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.587 -11.793 -5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.199 -13.317 -5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.156 -13.169 -7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.658 -12.857 -5.687 1.00 0.00 H new ATOM 1229 N SER A 77 -0.913 -14.317 -5.467 1.00 0.00 N ATOM 1230 CA SER A 77 -2.160 -14.647 -4.787 1.00 0.00 C ATOM 1231 C SER A 77 -2.011 -14.495 -3.276 1.00 0.00 C ATOM 1232 O SER A 77 -1.337 -15.293 -2.625 1.00 0.00 O ATOM 1233 CB SER A 77 -2.589 -16.075 -5.127 1.00 0.00 C ATOM 1234 OG SER A 77 -1.580 -17.008 -4.779 1.00 0.00 O ATOM 0 H SER A 77 -0.102 -14.844 -5.141 1.00 0.00 H new ATOM 0 HA SER A 77 -2.927 -13.953 -5.131 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.510 -16.317 -4.597 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.805 -16.149 -6.193 1.00 0.00 H new ATOM 0 HG SER A 77 -1.249 -16.811 -3.878 1.00 0.00 H new ATOM 1240 N MET A 78 -2.644 -13.464 -2.726 1.00 0.00 N ATOM 1241 CA MET A 78 -2.583 -13.208 -1.291 1.00 0.00 C ATOM 1242 C MET A 78 -3.854 -13.690 -0.598 1.00 0.00 C ATOM 1243 O MET A 78 -4.939 -13.159 -0.832 1.00 0.00 O ATOM 1244 CB MET A 78 -2.379 -11.715 -1.027 1.00 0.00 C ATOM 1245 CG MET A 78 -2.444 -11.344 0.446 1.00 0.00 C ATOM 1246 SD MET A 78 -2.601 -9.567 0.708 1.00 0.00 S ATOM 1247 CE MET A 78 -0.881 -9.070 0.701 1.00 0.00 C ATOM 0 H MET A 78 -3.204 -12.793 -3.251 1.00 0.00 H new ATOM 0 HA MET A 78 -1.737 -13.761 -0.884 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.411 -11.413 -1.427 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.138 -11.151 -1.569 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.291 -11.852 0.908 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.545 -11.703 0.947 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.775 -8.118 1.222 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.281 -9.828 1.205 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.538 -8.960 -0.328 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.711 -14.699 0.255 1.00 0.00 N ATOM 1258 CA GLY A 79 -4.855 -15.235 0.968 1.00 0.00 C ATOM 1259 C GLY A 79 -5.897 -15.820 0.036 1.00 0.00 C ATOM 1260 O GLY A 79 -5.848 -17.005 -0.298 1.00 0.00 O ATOM 0 H GLY A 79 -2.823 -15.155 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.518 -16.006 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.309 -14.445 1.566 1.00 0.00 H new ATOM 1264 N HIS A 80 -6.845 -14.989 -0.386 1.00 0.00 N ATOM 1265 CA HIS A 80 -7.905 -15.431 -1.285 1.00 0.00 C ATOM 1266 C HIS A 80 -8.120 -14.423 -2.409 1.00 0.00 C ATOM 1267 O HIS A 80 -9.152 -14.437 -3.080 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.208 -15.635 -0.511 1.00 0.00 C ATOM 1269 CG HIS A 80 -9.862 -14.354 -0.092 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -11.207 -14.106 -0.262 1.00 0.00 N ATOM 1271 CD2 HIS A 80 -9.347 -13.248 0.495 1.00 0.00 C ATOM 1272 CE1 HIS A 80 -11.492 -12.901 0.201 1.00 0.00 C ATOM 1273 NE2 HIS A 80 -10.381 -12.360 0.666 1.00 0.00 N ATOM 0 H HIS A 80 -6.901 -14.006 -0.120 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.601 -16.380 -1.726 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.903 -16.203 -1.129 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.004 -16.236 0.375 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -11.878 -14.751 -0.680 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.316 -13.093 0.776 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.468 -12.438 0.199 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.140 -13.548 -2.608 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.222 -12.531 -3.649 1.00 0.00 C ATOM 1284 C ARG A 81 -5.893 -12.397 -4.386 1.00 0.00 C ATOM 1285 O ARG A 81 -4.892 -12.998 -3.996 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.620 -11.183 -3.045 1.00 0.00 C ATOM 1287 CG ARG A 81 -9.044 -11.150 -2.514 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.644 -9.756 -2.613 1.00 0.00 C ATOM 1289 NE ARG A 81 -11.101 -9.792 -2.702 1.00 0.00 N ATOM 1290 CZ ARG A 81 -11.901 -9.849 -1.643 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -11.387 -9.875 -0.421 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -13.217 -9.878 -1.805 1.00 0.00 N ATOM 0 H ARG A 81 -6.279 -13.523 -2.061 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.984 -12.841 -4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.933 -10.941 -2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.505 -10.407 -3.802 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.659 -11.853 -3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.054 -11.478 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.348 -9.172 -1.742 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.240 -9.249 -3.489 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.528 -9.772 -3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.375 -9.851 -0.293 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.003 -9.919 0.391 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.616 -9.857 -2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.830 -9.922 -0.991 1.00 0.00 H new ATOM 1306 N TYR A 82 -5.891 -11.607 -5.454 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.686 -11.397 -6.247 1.00 0.00 C ATOM 1308 C TYR A 82 -4.033 -10.061 -5.904 1.00 0.00 C ATOM 1309 O TYR A 82 -4.715 -9.096 -5.555 1.00 0.00 O ATOM 1310 CB TYR A 82 -5.017 -11.446 -7.739 1.00 0.00 C ATOM 1311 CG TYR A 82 -4.856 -12.820 -8.350 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.803 -13.814 -8.133 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -3.757 -13.124 -9.144 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.659 -15.070 -8.689 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.606 -14.378 -9.705 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.560 -15.348 -9.474 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.414 -16.598 -10.030 1.00 0.00 O ATOM 0 H TYR A 82 -6.711 -11.102 -5.790 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.983 -12.196 -6.011 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.043 -11.110 -7.886 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.373 -10.744 -8.269 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.666 -13.601 -7.519 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.008 -12.367 -9.326 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.404 -15.831 -8.510 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.746 -14.598 -10.321 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.587 -16.628 -10.555 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.709 -10.013 -6.005 1.00 0.00 N ATOM 1328 CA ILE A 83 -1.964 -8.796 -5.707 1.00 0.00 C ATOM 1329 C ILE A 83 -1.059 -8.407 -6.871 1.00 0.00 C ATOM 1330 O ILE A 83 -0.375 -9.253 -7.447 1.00 0.00 O ATOM 1331 CB ILE A 83 -1.108 -8.957 -4.437 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.915 -9.649 -3.337 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.607 -7.601 -3.961 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.227 -8.964 -3.027 1.00 0.00 C ATOM 0 H ILE A 83 -2.130 -10.803 -6.291 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.699 -8.008 -5.542 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.245 -9.579 -4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.114 -10.678 -3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.314 -9.692 -2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.004 -7.731 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.001 -7.142 -4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.457 -6.957 -3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.745 -9.510 -2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.035 -7.943 -2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.848 -8.945 -3.923 1.00 0.00 H new ATOM 1346 N GLU A 84 -1.060 -7.122 -7.210 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.237 -6.621 -8.305 1.00 0.00 C ATOM 1348 C GLU A 84 0.839 -5.671 -7.787 1.00 0.00 C ATOM 1349 O GLU A 84 0.536 -4.610 -7.242 1.00 0.00 O ATOM 1350 CB GLU A 84 -1.107 -5.907 -9.341 1.00 0.00 C ATOM 1351 CG GLU A 84 -2.052 -6.835 -10.086 1.00 0.00 C ATOM 1352 CD GLU A 84 -2.965 -6.093 -11.043 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -3.740 -5.232 -10.577 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -2.903 -6.373 -12.259 1.00 0.00 O ATOM 0 H GLU A 84 -1.621 -6.409 -6.743 1.00 0.00 H new ATOM 0 HA GLU A 84 0.252 -7.473 -8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.690 -5.133 -8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.461 -5.405 -10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.470 -7.570 -10.642 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.657 -7.386 -9.366 1.00 0.00 H new ATOM 1361 N VAL A 85 2.098 -6.061 -7.960 1.00 0.00 N ATOM 1362 CA VAL A 85 3.220 -5.246 -7.511 1.00 0.00 C ATOM 1363 C VAL A 85 3.562 -4.170 -8.536 1.00 0.00 C ATOM 1364 O VAL A 85 3.474 -4.397 -9.743 1.00 0.00 O ATOM 1365 CB VAL A 85 4.470 -6.106 -7.249 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.576 -5.267 -6.628 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.124 -7.290 -6.359 1.00 0.00 C ATOM 0 H VAL A 85 2.366 -6.937 -8.408 1.00 0.00 H new ATOM 0 HA VAL A 85 2.913 -4.772 -6.579 1.00 0.00 H new ATOM 0 HB VAL A 85 4.831 -6.490 -8.203 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.451 -5.892 -6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.841 -4.456 -7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.229 -4.851 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.019 -7.887 -6.184 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.737 -6.928 -5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.368 -7.904 -6.848 1.00 0.00 H new ATOM 1377 N PHE A 86 3.954 -2.998 -8.047 1.00 0.00 N ATOM 1378 CA PHE A 86 4.310 -1.886 -8.921 1.00 0.00 C ATOM 1379 C PHE A 86 5.588 -1.205 -8.441 1.00 0.00 C ATOM 1380 O PHE A 86 5.703 -0.826 -7.275 1.00 0.00 O ATOM 1381 CB PHE A 86 3.168 -0.870 -8.979 1.00 0.00 C ATOM 1382 CG PHE A 86 1.999 -1.329 -9.803 1.00 0.00 C ATOM 1383 CD1 PHE A 86 2.156 -1.629 -11.147 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.742 -1.460 -9.234 1.00 0.00 C ATOM 1385 CE1 PHE A 86 1.083 -2.052 -11.908 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.335 -1.882 -9.990 1.00 0.00 C ATOM 1387 CZ PHE A 86 -0.165 -2.178 -11.329 1.00 0.00 C ATOM 0 H PHE A 86 4.033 -2.794 -7.051 1.00 0.00 H new ATOM 0 HA PHE A 86 4.485 -2.283 -9.921 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.827 -0.660 -7.965 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.546 0.067 -9.389 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.129 -1.531 -11.605 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.603 -1.230 -8.188 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.220 -2.284 -12.954 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.309 -1.980 -9.534 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.006 -2.507 -11.922 1.00 0.00 H new ATOM 1397 N LYS A 87 6.547 -1.053 -9.348 1.00 0.00 N ATOM 1398 CA LYS A 87 7.818 -0.417 -9.019 1.00 0.00 C ATOM 1399 C LYS A 87 7.648 1.092 -8.870 1.00 0.00 C ATOM 1400 O LYS A 87 7.310 1.786 -9.828 1.00 0.00 O ATOM 1401 CB LYS A 87 8.857 -0.719 -10.101 1.00 0.00 C ATOM 1402 CG LYS A 87 10.286 -0.721 -9.587 1.00 0.00 C ATOM 1403 CD LYS A 87 10.799 0.690 -9.358 1.00 0.00 C ATOM 1404 CE LYS A 87 12.247 0.689 -8.890 1.00 0.00 C ATOM 1405 NZ LYS A 87 13.199 0.733 -10.034 1.00 0.00 N ATOM 0 H LYS A 87 6.468 -1.362 -10.317 1.00 0.00 H new ATOM 0 HA LYS A 87 8.164 -0.822 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.637 -1.691 -10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.767 0.021 -10.896 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.337 -1.283 -8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.930 -1.231 -10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.715 1.263 -10.281 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.176 1.189 -8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.419 1.547 -8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.436 -0.204 -8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.175 0.731 -9.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.052 -0.099 -10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.036 1.598 -10.588 1.00 0.00 H new ATOM 1419 N SER A 88 7.887 1.593 -7.662 1.00 0.00 N ATOM 1420 CA SER A 88 7.759 3.019 -7.386 1.00 0.00 C ATOM 1421 C SER A 88 8.872 3.496 -6.459 1.00 0.00 C ATOM 1422 O SER A 88 9.555 2.690 -5.824 1.00 0.00 O ATOM 1423 CB SER A 88 6.395 3.318 -6.761 1.00 0.00 C ATOM 1424 OG SER A 88 5.957 4.625 -7.092 1.00 0.00 O ATOM 0 H SER A 88 8.170 1.032 -6.859 1.00 0.00 H new ATOM 0 HA SER A 88 7.843 3.556 -8.331 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.664 2.587 -7.108 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.458 3.216 -5.678 1.00 0.00 H new ATOM 0 HG SER A 88 5.082 4.791 -6.682 1.00 0.00 H new ATOM 1430 N HIS A 89 9.050 4.811 -6.385 1.00 0.00 N ATOM 1431 CA HIS A 89 10.080 5.396 -5.534 1.00 0.00 C ATOM 1432 C HIS A 89 9.480 5.906 -4.227 1.00 0.00 C ATOM 1433 O HIS A 89 8.287 5.739 -3.974 1.00 0.00 O ATOM 1434 CB HIS A 89 10.785 6.539 -6.265 1.00 0.00 C ATOM 1435 CG HIS A 89 9.864 7.380 -7.094 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.169 7.088 -8.218 1.00 0.00 N flip ATOM 1437 CD2 HIS A 89 9.570 8.694 -6.795 1.00 0.00 C flip ATOM 1438 CE1 HIS A 89 8.475 8.218 -8.574 1.00 0.00 C flip ATOM 1439 NE2 HIS A 89 8.734 9.173 -7.699 1.00 0.00 N flip ATOM 0 H HIS A 89 8.495 5.491 -6.904 1.00 0.00 H new ATOM 0 HA HIS A 89 10.808 4.619 -5.300 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.283 7.174 -5.533 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.561 6.124 -6.908 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.962 9.245 -5.953 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.823 8.311 -9.430 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.353 10.119 -7.718 1.00 0.00 H new ATOM 1448 N ARG A 90 10.316 6.528 -3.401 1.00 0.00 N ATOM 1449 CA ARG A 90 9.868 7.060 -2.120 1.00 0.00 C ATOM 1450 C ARG A 90 9.100 8.364 -2.311 1.00 0.00 C ATOM 1451 O ARG A 90 7.917 8.455 -1.979 1.00 0.00 O ATOM 1452 CB ARG A 90 11.064 7.291 -1.194 1.00 0.00 C ATOM 1453 CG ARG A 90 10.758 8.209 -0.022 1.00 0.00 C ATOM 1454 CD ARG A 90 9.791 7.560 0.956 1.00 0.00 C ATOM 1455 NE ARG A 90 9.687 8.313 2.203 1.00 0.00 N ATOM 1456 CZ ARG A 90 10.614 8.290 3.155 1.00 0.00 C ATOM 1457 NH1 ARG A 90 11.708 7.557 3.001 1.00 0.00 N ATOM 1458 NH2 ARG A 90 10.448 9.002 4.262 1.00 0.00 N ATOM 0 H ARG A 90 11.306 6.676 -3.596 1.00 0.00 H new ATOM 0 HA ARG A 90 9.200 6.329 -1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.408 6.330 -0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.884 7.716 -1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.684 8.463 0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.333 9.142 -0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.806 7.484 0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.121 6.544 1.172 1.00 0.00 H new ATOM 0 HE ARG A 90 8.858 8.888 2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.839 7.009 2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.418 7.541 3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.608 9.568 4.383 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.160 8.983 4.992 1.00 0.00 H new ATOM 1472 N THR A 91 9.779 9.372 -2.848 1.00 0.00 N ATOM 1473 CA THR A 91 9.162 10.672 -3.082 1.00 0.00 C ATOM 1474 C THR A 91 7.692 10.522 -3.456 1.00 0.00 C ATOM 1475 O THR A 91 6.817 11.101 -2.812 1.00 0.00 O ATOM 1476 CB THR A 91 9.888 11.446 -4.199 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.251 11.676 -3.828 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.199 12.775 -4.471 1.00 0.00 C ATOM 0 H THR A 91 10.758 9.313 -3.130 1.00 0.00 H new ATOM 0 HA THR A 91 9.242 11.233 -2.151 1.00 0.00 H new ATOM 0 HB THR A 91 9.856 10.846 -5.108 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.706 12.167 -4.544 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.729 13.304 -5.263 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.170 12.594 -4.781 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.204 13.380 -3.564 1.00 0.00 H new ATOM 1486 N GLU A 92 7.427 9.742 -4.499 1.00 0.00 N ATOM 1487 CA GLU A 92 6.061 9.518 -4.958 1.00 0.00 C ATOM 1488 C GLU A 92 5.170 9.059 -3.807 1.00 0.00 C ATOM 1489 O GLU A 92 4.141 9.673 -3.523 1.00 0.00 O ATOM 1490 CB GLU A 92 6.041 8.477 -6.079 1.00 0.00 C ATOM 1491 CG GLU A 92 4.642 8.032 -6.471 1.00 0.00 C ATOM 1492 CD GLU A 92 4.043 8.887 -7.571 1.00 0.00 C ATOM 1493 OE1 GLU A 92 4.817 9.524 -8.315 1.00 0.00 O ATOM 1494 OE2 GLU A 92 2.800 8.918 -7.687 1.00 0.00 O ATOM 0 H GLU A 92 8.140 9.255 -5.042 1.00 0.00 H new ATOM 0 HA GLU A 92 5.673 10.462 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.541 8.889 -6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.616 7.606 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.674 6.993 -6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.995 8.068 -5.595 1.00 0.00 H new ATOM 1501 N MET A 93 5.572 7.977 -3.150 1.00 0.00 N ATOM 1502 CA MET A 93 4.810 7.436 -2.030 1.00 0.00 C ATOM 1503 C MET A 93 4.584 8.501 -0.962 1.00 0.00 C ATOM 1504 O MET A 93 3.695 8.370 -0.120 1.00 0.00 O ATOM 1505 CB MET A 93 5.538 6.235 -1.423 1.00 0.00 C ATOM 1506 CG MET A 93 4.836 5.650 -0.208 1.00 0.00 C ATOM 1507 SD MET A 93 5.864 4.467 0.685 1.00 0.00 S ATOM 1508 CE MET A 93 7.159 5.541 1.300 1.00 0.00 C ATOM 0 H MET A 93 6.421 7.457 -3.373 1.00 0.00 H new ATOM 0 HA MET A 93 3.840 7.112 -2.406 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.639 5.460 -2.183 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.546 6.537 -1.140 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.550 6.458 0.465 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.916 5.159 -0.526 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.320 5.347 2.360 1.00 0.00 H new ATOM 0 HE2 MET A 93 8.082 5.349 0.752 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.865 6.581 1.162 1.00 0.00 H new ATOM 1518 N ASP A 94 5.393 9.554 -1.002 1.00 0.00 N ATOM 1519 CA ASP A 94 5.280 10.642 -0.038 1.00 0.00 C ATOM 1520 C ASP A 94 4.034 11.480 -0.308 1.00 0.00 C ATOM 1521 O ASP A 94 3.255 11.762 0.603 1.00 0.00 O ATOM 1522 CB ASP A 94 6.526 11.528 -0.088 1.00 0.00 C ATOM 1523 CG ASP A 94 6.835 12.168 1.251 1.00 0.00 C ATOM 1524 OD1 ASP A 94 7.548 11.537 2.060 1.00 0.00 O ATOM 1525 OD2 ASP A 94 6.366 13.300 1.490 1.00 0.00 O ATOM 0 H ASP A 94 6.134 9.677 -1.692 1.00 0.00 H new ATOM 0 HA ASP A 94 5.194 10.205 0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.380 10.931 -0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.384 12.308 -0.836 1.00 0.00 H new ATOM 1530 N TRP A 95 3.854 11.876 -1.562 1.00 0.00 N ATOM 1531 CA TRP A 95 2.703 12.683 -1.952 1.00 0.00 C ATOM 1532 C TRP A 95 1.427 11.848 -1.951 1.00 0.00 C ATOM 1533 O TRP A 95 0.387 12.287 -1.460 1.00 0.00 O ATOM 1534 CB TRP A 95 2.927 13.293 -3.336 1.00 0.00 C ATOM 1535 CG TRP A 95 2.377 12.455 -4.451 1.00 0.00 C ATOM 1536 CD1 TRP A 95 3.093 11.764 -5.386 1.00 0.00 C ATOM 1537 CD2 TRP A 95 0.996 12.222 -4.747 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.239 11.116 -6.246 1.00 0.00 N ATOM 1539 CE2 TRP A 95 0.948 11.380 -5.875 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.205 12.642 -4.168 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.254 10.952 -6.433 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.397 12.216 -4.723 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.414 11.378 -5.846 1.00 0.00 C ATOM 0 H TRP A 95 4.490 11.652 -2.327 1.00 0.00 H new ATOM 0 HA TRP A 95 2.590 13.486 -1.223 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.464 14.279 -3.370 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.996 13.437 -3.493 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.171 11.731 -5.442 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.521 10.533 -7.034 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.202 13.288 -3.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.270 10.306 -7.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.331 12.534 -4.284 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.362 11.062 -6.256 1.00 0.00 H new ATOM 1554 N VAL A 96 1.514 10.642 -2.503 1.00 0.00 N ATOM 1555 CA VAL A 96 0.366 9.745 -2.565 1.00 0.00 C ATOM 1556 C VAL A 96 -0.220 9.506 -1.177 1.00 0.00 C ATOM 1557 O VAL A 96 -1.421 9.276 -1.030 1.00 0.00 O ATOM 1558 CB VAL A 96 0.746 8.389 -3.190 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.689 8.590 -4.367 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.370 7.477 -2.145 1.00 0.00 C ATOM 0 H VAL A 96 2.368 10.264 -2.914 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.381 10.230 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.161 7.911 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.947 7.622 -4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.201 9.204 -5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.596 9.089 -4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.632 6.524 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.268 7.945 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.657 7.307 -1.338 1.00 0.00 H new ATOM 1570 N LEU A 97 0.636 9.562 -0.163 1.00 0.00 N ATOM 1571 CA LEU A 97 0.204 9.352 1.215 1.00 0.00 C ATOM 1572 C LEU A 97 -0.416 10.621 1.790 1.00 0.00 C ATOM 1573 O LEU A 97 -1.574 10.625 2.208 1.00 0.00 O ATOM 1574 CB LEU A 97 1.386 8.910 2.079 1.00 0.00 C ATOM 1575 CG LEU A 97 1.847 7.464 1.899 1.00 0.00 C ATOM 1576 CD1 LEU A 97 3.186 7.240 2.584 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.801 6.500 2.441 1.00 0.00 C ATOM 0 H LEU A 97 1.633 9.751 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.552 8.567 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.229 9.568 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.120 9.057 3.126 1.00 0.00 H new ATOM 0 HG LEU A 97 1.972 7.273 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.497 6.205 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.933 7.905 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.089 7.449 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.146 5.475 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.644 6.692 3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.137 6.642 1.904 1.00 0.00 H new ATOM 1589 N LYS A 98 0.362 11.698 1.807 1.00 0.00 N ATOM 1590 CA LYS A 98 -0.111 12.975 2.328 1.00 0.00 C ATOM 1591 C LYS A 98 -1.510 13.290 1.809 1.00 0.00 C ATOM 1592 O LYS A 98 -2.269 14.022 2.446 1.00 0.00 O ATOM 1593 CB LYS A 98 0.854 14.097 1.936 1.00 0.00 C ATOM 1594 CG LYS A 98 2.274 13.878 2.429 1.00 0.00 C ATOM 1595 CD LYS A 98 3.280 14.652 1.594 1.00 0.00 C ATOM 1596 CE LYS A 98 3.522 16.043 2.161 1.00 0.00 C ATOM 1597 NZ LYS A 98 2.541 17.034 1.640 1.00 0.00 N ATOM 0 H LYS A 98 1.323 11.712 1.466 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.154 12.903 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.866 14.192 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.482 15.041 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.350 14.188 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.512 12.815 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.222 14.104 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.918 14.734 0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.459 16.008 3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.532 16.366 1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.864 17.996 1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.459 16.932 0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.613 16.868 2.079 1.00 0.00 H new ATOM 1611 N HIS A 99 -1.847 12.732 0.650 1.00 0.00 N ATOM 1612 CA HIS A 99 -3.157 12.952 0.048 1.00 0.00 C ATOM 1613 C HIS A 99 -3.896 11.631 -0.141 1.00 0.00 C ATOM 1614 O HIS A 99 -4.434 11.358 -1.214 1.00 0.00 O ATOM 1615 CB HIS A 99 -3.010 13.665 -1.297 1.00 0.00 C ATOM 1616 CG HIS A 99 -1.994 14.765 -1.284 1.00 0.00 C ATOM 1617 ND1 HIS A 99 -1.652 15.460 -0.143 1.00 0.00 N ATOM 1618 CD2 HIS A 99 -1.243 15.289 -2.280 1.00 0.00 C ATOM 1619 CE1 HIS A 99 -0.736 16.364 -0.439 1.00 0.00 C ATOM 1620 NE2 HIS A 99 -0.470 16.281 -1.730 1.00 0.00 N ATOM 0 H HIS A 99 -1.231 12.125 0.110 1.00 0.00 H new ATOM 0 HA HIS A 99 -3.739 13.581 0.722 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.733 12.935 -2.058 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.976 14.077 -1.588 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.250 14.983 -3.316 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.282 17.054 0.257 1.00 0.00 H new ATOM 0 HE2 HIS A 99 0.201 16.860 -2.236 1.00 0.00 H new ATOM 1629 N SER A 100 -3.918 10.815 0.908 1.00 0.00 N ATOM 1630 CA SER A 100 -4.588 9.520 0.855 1.00 0.00 C ATOM 1631 C SER A 100 -5.725 9.456 1.870 1.00 0.00 C ATOM 1632 O SER A 100 -6.886 9.267 1.507 1.00 0.00 O ATOM 1633 CB SER A 100 -3.587 8.394 1.122 1.00 0.00 C ATOM 1634 OG SER A 100 -3.434 8.166 2.512 1.00 0.00 O ATOM 0 H SER A 100 -3.480 11.027 1.804 1.00 0.00 H new ATOM 0 HA SER A 100 -5.007 9.395 -0.143 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.926 7.479 0.635 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.622 8.650 0.684 1.00 0.00 H new ATOM 0 HG SER A 100 -2.795 8.811 2.881 1.00 0.00 H new ATOM 1640 N GLY A 101 -5.383 9.615 3.145 1.00 0.00 N ATOM 1641 CA GLY A 101 -6.385 9.571 4.193 1.00 0.00 C ATOM 1642 C GLY A 101 -7.592 10.432 3.877 1.00 0.00 C ATOM 1643 O GLY A 101 -7.552 11.299 3.003 1.00 0.00 O ATOM 0 H GLY A 101 -4.429 9.774 3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.707 8.540 4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.940 9.904 5.131 1.00 0.00 H new ATOM 1647 N PRO A 102 -8.699 10.194 4.598 1.00 0.00 N ATOM 1648 CA PRO A 102 -9.944 10.943 4.406 1.00 0.00 C ATOM 1649 C PRO A 102 -9.829 12.389 4.877 1.00 0.00 C ATOM 1650 O PRO A 102 -10.289 13.310 4.203 1.00 0.00 O ATOM 1651 CB PRO A 102 -10.953 10.179 5.267 1.00 0.00 C ATOM 1652 CG PRO A 102 -10.130 9.509 6.312 1.00 0.00 C ATOM 1653 CD PRO A 102 -8.818 9.177 5.655 1.00 0.00 C ATOM 0 HA PRO A 102 -10.223 11.008 3.354 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.685 10.854 5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.509 9.452 4.674 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.982 10.163 7.171 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.622 8.608 6.678 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.990 9.233 6.361 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.819 8.168 5.243 1.00 0.00 H new ATOM 1661 N ASN A 103 -9.212 12.581 6.039 1.00 0.00 N ATOM 1662 CA ASN A 103 -9.037 13.916 6.600 1.00 0.00 C ATOM 1663 C ASN A 103 -8.150 13.872 7.840 1.00 0.00 C ATOM 1664 O ASN A 103 -8.088 12.859 8.536 1.00 0.00 O ATOM 1665 CB ASN A 103 -10.395 14.526 6.951 1.00 0.00 C ATOM 1666 CG ASN A 103 -10.329 16.033 7.104 1.00 0.00 C ATOM 1667 OD1 ASN A 103 -10.628 16.574 8.169 1.00 0.00 O ATOM 1668 ND2 ASN A 103 -9.937 16.720 6.037 1.00 0.00 N ATOM 0 H ASN A 103 -8.825 11.829 6.610 1.00 0.00 H new ATOM 0 HA ASN A 103 -8.550 14.538 5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -11.116 14.274 6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -10.760 14.085 7.879 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.874 17.737 6.080 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -9.699 16.230 5.174 1.00 0.00 H new ATOM 1675 N SER A 104 -7.466 14.979 8.111 1.00 0.00 N ATOM 1676 CA SER A 104 -6.579 15.067 9.266 1.00 0.00 C ATOM 1677 C SER A 104 -7.190 15.945 10.354 1.00 0.00 C ATOM 1678 O SER A 104 -7.600 17.077 10.096 1.00 0.00 O ATOM 1679 CB SER A 104 -5.217 15.625 8.849 1.00 0.00 C ATOM 1680 OG SER A 104 -4.370 14.595 8.370 1.00 0.00 O ATOM 0 H SER A 104 -7.509 15.828 7.547 1.00 0.00 H new ATOM 0 HA SER A 104 -6.444 14.062 9.667 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.351 16.380 8.074 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.748 16.121 9.699 1.00 0.00 H new ATOM 0 HG SER A 104 -3.506 14.977 8.108 1.00 0.00 H new ATOM 1686 N ALA A 105 -7.247 15.415 11.571 1.00 0.00 N ATOM 1687 CA ALA A 105 -7.806 16.150 12.699 1.00 0.00 C ATOM 1688 C ALA A 105 -6.722 16.509 13.710 1.00 0.00 C ATOM 1689 O ALA A 105 -6.685 17.628 14.223 1.00 0.00 O ATOM 1690 CB ALA A 105 -8.905 15.336 13.367 1.00 0.00 C ATOM 0 H ALA A 105 -6.913 14.479 11.801 1.00 0.00 H new ATOM 0 HA ALA A 105 -8.236 17.078 12.320 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -9.313 15.897 14.208 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -9.697 15.134 12.646 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.492 14.393 13.726 1.00 0.00 H new ATOM 1696 N SER A 106 -5.842 15.554 13.993 1.00 0.00 N ATOM 1697 CA SER A 106 -4.760 15.769 14.947 1.00 0.00 C ATOM 1698 C SER A 106 -3.540 16.370 14.257 1.00 0.00 C ATOM 1699 O SER A 106 -2.731 15.655 13.666 1.00 0.00 O ATOM 1700 CB SER A 106 -4.380 14.451 15.624 1.00 0.00 C ATOM 1701 OG SER A 106 -5.301 14.119 16.648 1.00 0.00 O ATOM 0 H SER A 106 -5.857 14.624 13.575 1.00 0.00 H new ATOM 0 HA SER A 106 -5.110 16.471 15.704 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.353 13.653 14.883 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.377 14.530 16.044 1.00 0.00 H new ATOM 0 HG SER A 106 -5.037 13.272 17.064 1.00 0.00 H new ATOM 1707 N GLY A 107 -3.414 17.692 14.337 1.00 0.00 N ATOM 1708 CA GLY A 107 -2.290 18.368 13.716 1.00 0.00 C ATOM 1709 C GLY A 107 -2.708 19.618 12.966 1.00 0.00 C ATOM 1710 O GLY A 107 -2.836 19.619 11.742 1.00 0.00 O ATOM 0 H GLY A 107 -4.070 18.306 14.820 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.562 18.634 14.482 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.794 17.684 13.028 1.00 0.00 H new ATOM 1714 N PRO A 108 -2.928 20.713 13.709 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.339 21.994 13.128 1.00 0.00 C ATOM 1716 C PRO A 108 -2.223 22.648 12.320 1.00 0.00 C ATOM 1717 O PRO A 108 -1.053 22.587 12.698 1.00 0.00 O ATOM 1718 CB PRO A 108 -3.681 22.846 14.353 1.00 0.00 C ATOM 1719 CG PRO A 108 -2.877 22.257 15.461 1.00 0.00 C ATOM 1720 CD PRO A 108 -2.794 20.783 15.174 1.00 0.00 C ATOM 0 HA PRO A 108 -4.167 21.877 12.428 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.425 23.893 14.191 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.748 22.810 14.575 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -1.883 22.703 15.502 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -3.349 22.441 16.426 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -1.848 20.360 15.512 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -3.587 20.230 15.677 1.00 0.00 H new ATOM 1728 N SER A 109 -2.593 23.274 11.208 1.00 0.00 N ATOM 1729 CA SER A 109 -1.622 23.937 10.345 1.00 0.00 C ATOM 1730 C SER A 109 -1.549 25.429 10.654 1.00 0.00 C ATOM 1731 O SER A 109 -2.480 26.180 10.365 1.00 0.00 O ATOM 1732 CB SER A 109 -1.988 23.727 8.874 1.00 0.00 C ATOM 1733 OG SER A 109 -1.402 22.541 8.367 1.00 0.00 O ATOM 0 H SER A 109 -3.558 23.336 10.883 1.00 0.00 H new ATOM 0 HA SER A 109 -0.644 23.496 10.536 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.072 23.674 8.770 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.652 24.582 8.287 1.00 0.00 H new ATOM 0 HG SER A 109 -1.652 22.429 7.426 1.00 0.00 H new ATOM 1739 N SER A 110 -0.435 25.850 11.246 1.00 0.00 N ATOM 1740 CA SER A 110 -0.241 27.251 11.599 1.00 0.00 C ATOM 1741 C SER A 110 1.242 27.567 11.771 1.00 0.00 C ATOM 1742 O SER A 110 1.906 27.023 12.652 1.00 0.00 O ATOM 1743 CB SER A 110 -0.998 27.584 12.886 1.00 0.00 C ATOM 1744 OG SER A 110 -0.750 28.919 13.293 1.00 0.00 O ATOM 0 H SER A 110 0.346 25.241 11.491 1.00 0.00 H new ATOM 0 HA SER A 110 -0.633 27.863 10.787 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.067 27.441 12.730 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.696 26.897 13.677 1.00 0.00 H new ATOM 0 HG SER A 110 -1.246 29.107 14.117 1.00 0.00 H new ATOM 1750 N GLY A 111 1.755 28.453 10.922 1.00 0.00 N ATOM 1751 CA GLY A 111 3.155 28.827 10.996 1.00 0.00 C ATOM 1752 C GLY A 111 4.053 27.862 10.247 1.00 0.00 C ATOM 1753 O GLY A 111 4.916 28.279 9.475 1.00 0.00 O ATOM 0 H GLY A 111 1.226 28.918 10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 111 3.282 29.829 10.587 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.462 28.868 12.041 1.00 0.00 H new TER 1757 GLY A 111