USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -128:sc= -1.6! (180deg=-1.89!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 52:sc= 0.264 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -5.61! C(o=-5.6!,f=-9.8!) USER MOD Single : A 17 GLN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -156:sc= -0.0294 (180deg=-0.234) USER MOD Single : A 26 TYR OH : rot 165:sc= -0.509 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -2.66! C(o=-2.7!,f=-2.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.79! C(o=-3.8!,f=-10!) USER MOD Single : A 62 LYS NZ :NH3+ 138:sc= 0.00934 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : A 69 MET CE :methyl 142:sc= -2.28! (180deg=-5.44!) USER MOD Single : A 72 GLN : amide:sc= -2.15 K(o=-2.2,f=-6.4!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0602 K(o=-0.06,f=-1.8!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.230 -4.494 -13.206 1.00 0.00 N ATOM 2 CA GLY A 1 -14.125 -5.214 -12.315 1.00 0.00 C ATOM 3 C GLY A 1 -13.358 -6.241 -11.480 1.00 0.00 C ATOM 4 O GLY A 1 -12.920 -5.942 -10.370 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.774 -3.803 -13.761 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.509 -3.996 -12.646 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.766 -5.166 -13.849 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.632 -4.509 -11.656 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.897 -5.717 -12.898 1.00 0.00 H new ATOM 8 N SER A 2 -13.220 -7.431 -12.046 1.00 0.00 N ATOM 9 CA SER A 2 -12.514 -8.505 -11.367 1.00 0.00 C ATOM 10 C SER A 2 -12.304 -9.680 -12.324 1.00 0.00 C ATOM 11 O SER A 2 -13.049 -10.658 -12.285 1.00 0.00 O ATOM 12 CB SER A 2 -13.275 -8.964 -10.122 1.00 0.00 C ATOM 13 OG SER A 2 -12.680 -8.475 -8.922 1.00 0.00 O ATOM 0 H SER A 2 -13.585 -7.675 -12.967 1.00 0.00 H new ATOM 0 HA SER A 2 -11.543 -8.127 -11.047 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.308 -8.620 -10.181 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.303 -10.053 -10.095 1.00 0.00 H new ATOM 0 HG SER A 2 -12.559 -7.505 -8.989 1.00 0.00 H new ATOM 19 N SER A 3 -11.286 -9.546 -13.161 1.00 0.00 N ATOM 20 CA SER A 3 -10.969 -10.584 -14.127 1.00 0.00 C ATOM 21 C SER A 3 -9.654 -10.255 -14.837 1.00 0.00 C ATOM 22 O SER A 3 -9.657 -9.642 -15.904 1.00 0.00 O ATOM 23 CB SER A 3 -12.096 -10.750 -15.147 1.00 0.00 C ATOM 24 OG SER A 3 -12.363 -12.121 -15.429 1.00 0.00 O ATOM 0 H SER A 3 -10.670 -8.734 -13.190 1.00 0.00 H new ATOM 0 HA SER A 3 -10.859 -11.527 -13.591 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.001 -10.275 -14.768 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.828 -10.235 -16.070 1.00 0.00 H new ATOM 0 HG SER A 3 -13.090 -12.185 -16.083 1.00 0.00 H new ATOM 30 N GLY A 4 -8.562 -10.676 -14.217 1.00 0.00 N ATOM 31 CA GLY A 4 -7.243 -10.433 -14.776 1.00 0.00 C ATOM 32 C GLY A 4 -6.148 -10.980 -13.857 1.00 0.00 C ATOM 33 O GLY A 4 -5.993 -10.518 -12.728 1.00 0.00 O ATOM 0 H GLY A 4 -8.563 -11.184 -13.333 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.168 -10.903 -15.757 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.098 -9.363 -14.923 1.00 0.00 H new ATOM 37 N SER A 5 -5.418 -11.956 -14.376 1.00 0.00 N ATOM 38 CA SER A 5 -4.343 -12.570 -13.616 1.00 0.00 C ATOM 39 C SER A 5 -3.189 -11.580 -13.448 1.00 0.00 C ATOM 40 O SER A 5 -3.135 -10.561 -14.135 1.00 0.00 O ATOM 41 CB SER A 5 -3.849 -13.849 -14.296 1.00 0.00 C ATOM 42 OG SER A 5 -4.484 -15.012 -13.770 1.00 0.00 O ATOM 0 H SER A 5 -5.550 -12.337 -15.313 1.00 0.00 H new ATOM 0 HA SER A 5 -4.729 -12.838 -12.633 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.038 -13.786 -15.368 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.770 -13.935 -14.167 1.00 0.00 H new ATOM 0 HG SER A 5 -4.144 -15.807 -14.231 1.00 0.00 H new ATOM 48 N SER A 6 -2.294 -11.914 -12.529 1.00 0.00 N ATOM 49 CA SER A 6 -1.144 -11.066 -12.262 1.00 0.00 C ATOM 50 C SER A 6 -1.609 -9.700 -11.754 1.00 0.00 C ATOM 51 O SER A 6 -2.728 -9.276 -12.037 1.00 0.00 O ATOM 52 CB SER A 6 -0.278 -10.901 -13.512 1.00 0.00 C ATOM 53 OG SER A 6 1.035 -11.422 -13.324 1.00 0.00 O ATOM 0 H SER A 6 -2.342 -12.760 -11.960 1.00 0.00 H new ATOM 0 HA SER A 6 -0.537 -11.545 -11.494 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.753 -11.409 -14.352 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.215 -9.844 -13.773 1.00 0.00 H new ATOM 0 HG SER A 6 1.556 -11.299 -14.145 1.00 0.00 H new ATOM 59 N GLY A 7 -0.725 -9.048 -11.012 1.00 0.00 N ATOM 60 CA GLY A 7 -1.030 -7.738 -10.463 1.00 0.00 C ATOM 61 C GLY A 7 -0.266 -7.499 -9.159 1.00 0.00 C ATOM 62 O GLY A 7 0.146 -8.448 -8.494 1.00 0.00 O ATOM 0 H GLY A 7 0.202 -9.403 -10.778 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.770 -6.966 -11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.102 -7.656 -10.281 1.00 0.00 H new ATOM 66 N PRO A 8 -0.095 -6.192 -8.825 1.00 0.00 N ATOM 67 CA PRO A 8 0.613 -5.815 -7.613 1.00 0.00 C ATOM 68 C PRO A 8 -0.254 -6.054 -6.375 1.00 0.00 C ATOM 69 O PRO A 8 0.261 -6.368 -5.303 1.00 0.00 O ATOM 70 CB PRO A 8 0.979 -4.353 -7.808 1.00 0.00 C ATOM 71 CG PRO A 8 0.065 -3.839 -8.909 1.00 0.00 C ATOM 72 CD PRO A 8 -0.569 -5.041 -9.589 1.00 0.00 C ATOM 0 HA PRO A 8 1.507 -6.416 -7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.837 -3.788 -6.887 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.027 -4.247 -8.089 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.703 -3.187 -8.494 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.630 -3.248 -9.629 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.657 -4.976 -9.574 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.268 -5.109 -10.635 1.00 0.00 H new ATOM 80 N ILE A 9 -1.556 -5.897 -6.564 1.00 0.00 N ATOM 81 CA ILE A 9 -2.500 -6.092 -5.477 1.00 0.00 C ATOM 82 C ILE A 9 -2.476 -7.559 -5.043 1.00 0.00 C ATOM 83 O ILE A 9 -1.954 -7.887 -3.979 1.00 0.00 O ATOM 84 CB ILE A 9 -3.889 -5.591 -5.877 1.00 0.00 C ATOM 85 CG1 ILE A 9 -3.810 -4.197 -6.503 1.00 0.00 C ATOM 86 CG2 ILE A 9 -4.850 -5.632 -4.687 1.00 0.00 C ATOM 87 CD1 ILE A 9 -3.063 -3.226 -5.587 1.00 0.00 C ATOM 0 H ILE A 9 -1.980 -5.637 -7.455 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.210 -5.498 -4.610 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.289 -6.262 -6.637 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.304 -4.255 -7.467 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.816 -3.822 -6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.830 -5.271 -4.998 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.939 -6.657 -4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.467 -4.998 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.021 -2.243 -6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.585 -3.151 -4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.050 -3.591 -5.419 1.00 0.00 H new ATOM 99 N SER A 10 -3.047 -8.402 -5.890 1.00 0.00 N ATOM 100 CA SER A 10 -3.098 -9.827 -5.607 1.00 0.00 C ATOM 101 C SER A 10 -1.764 -10.292 -5.020 1.00 0.00 C ATOM 102 O SER A 10 -1.728 -10.880 -3.941 1.00 0.00 O ATOM 103 CB SER A 10 -3.431 -10.627 -6.868 1.00 0.00 C ATOM 104 OG SER A 10 -4.702 -11.263 -6.777 1.00 0.00 O ATOM 0 H SER A 10 -3.478 -8.126 -6.772 1.00 0.00 H new ATOM 0 HA SER A 10 -3.889 -10.003 -4.878 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.419 -9.963 -7.732 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.660 -11.380 -7.034 1.00 0.00 H new ATOM 0 HG SER A 10 -4.878 -11.762 -7.602 1.00 0.00 H new ATOM 110 N ARG A 11 -0.699 -10.010 -5.757 1.00 0.00 N ATOM 111 CA ARG A 11 0.634 -10.392 -5.323 1.00 0.00 C ATOM 112 C ARG A 11 0.851 -9.993 -3.863 1.00 0.00 C ATOM 113 O ARG A 11 1.389 -10.771 -3.076 1.00 0.00 O ATOM 114 CB ARG A 11 1.706 -9.730 -6.191 1.00 0.00 C ATOM 115 CG ARG A 11 3.050 -10.446 -6.043 1.00 0.00 C ATOM 116 CD ARG A 11 4.005 -10.059 -7.174 1.00 0.00 C ATOM 117 NE ARG A 11 5.404 -10.324 -6.768 1.00 0.00 N ATOM 118 CZ ARG A 11 5.948 -11.547 -6.701 1.00 0.00 C ATOM 119 NH1 ARG A 11 5.214 -12.624 -7.012 1.00 0.00 N ATOM 120 NH2 ARG A 11 7.225 -11.692 -6.323 1.00 0.00 N ATOM 0 H ARG A 11 -0.733 -9.521 -6.652 1.00 0.00 H new ATOM 0 HA ARG A 11 0.719 -11.474 -5.423 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.394 -9.746 -7.235 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.814 -8.683 -5.907 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.497 -10.192 -5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.894 -11.525 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.765 -10.626 -8.074 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.882 -9.004 -7.420 1.00 0.00 H new ATOM 0 HE ARG A 11 5.990 -9.526 -6.524 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.242 -12.513 -7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.628 -13.555 -6.961 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.783 -10.872 -6.086 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.639 -12.623 -6.272 1.00 0.00 H new ATOM 134 N LEU A 12 0.422 -8.780 -3.544 1.00 0.00 N ATOM 135 CA LEU A 12 0.563 -8.268 -2.191 1.00 0.00 C ATOM 136 C LEU A 12 -0.342 -9.067 -1.251 1.00 0.00 C ATOM 137 O LEU A 12 0.103 -9.534 -0.204 1.00 0.00 O ATOM 138 CB LEU A 12 0.305 -6.761 -2.159 1.00 0.00 C ATOM 139 CG LEU A 12 1.047 -5.976 -1.075 1.00 0.00 C ATOM 140 CD1 LEU A 12 0.309 -4.680 -0.735 1.00 0.00 C ATOM 141 CD2 LEU A 12 1.284 -6.842 0.163 1.00 0.00 C ATOM 0 H LEU A 12 -0.023 -8.137 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 12 1.586 -8.400 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.575 -6.346 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.765 -6.598 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 12 2.026 -5.696 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.857 -4.141 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.235 -4.059 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.692 -4.915 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.813 -6.260 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.326 -7.172 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.882 -7.711 -0.110 1.00 0.00 H new ATOM 153 N ALA A 13 -1.596 -9.199 -1.659 1.00 0.00 N ATOM 154 CA ALA A 13 -2.567 -9.934 -0.866 1.00 0.00 C ATOM 155 C ALA A 13 -2.056 -11.356 -0.630 1.00 0.00 C ATOM 156 O ALA A 13 -2.167 -11.884 0.476 1.00 0.00 O ATOM 157 CB ALA A 13 -3.924 -9.912 -1.573 1.00 0.00 C ATOM 0 H ALA A 13 -1.962 -8.810 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.699 -9.466 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.653 -10.463 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.257 -8.881 -1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.830 -10.377 -2.555 1.00 0.00 H new ATOM 163 N GLN A 14 -1.506 -11.936 -1.687 1.00 0.00 N ATOM 164 CA GLN A 14 -0.977 -13.287 -1.608 1.00 0.00 C ATOM 165 C GLN A 14 0.165 -13.352 -0.592 1.00 0.00 C ATOM 166 O GLN A 14 0.401 -14.394 0.017 1.00 0.00 O ATOM 167 CB GLN A 14 -0.517 -13.777 -2.982 1.00 0.00 C ATOM 168 CG GLN A 14 -1.701 -14.286 -3.808 1.00 0.00 C ATOM 169 CD GLN A 14 -1.297 -15.489 -4.662 1.00 0.00 C ATOM 170 OE1 GLN A 14 -1.547 -16.635 -4.325 1.00 0.00 O ATOM 171 NE2 GLN A 14 -0.660 -15.167 -5.784 1.00 0.00 N ATOM 0 H GLN A 14 -1.415 -11.495 -2.602 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.775 -13.949 -1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.020 -12.966 -3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.216 -14.575 -2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.519 -14.565 -3.144 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.071 -13.487 -4.451 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.482 -14.188 -6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.349 -15.899 -6.422 1.00 0.00 H new ATOM 180 N ILE A 15 0.845 -12.224 -0.441 1.00 0.00 N ATOM 181 CA ILE A 15 1.957 -12.140 0.490 1.00 0.00 C ATOM 182 C ILE A 15 1.414 -11.982 1.912 1.00 0.00 C ATOM 183 O ILE A 15 1.989 -12.513 2.861 1.00 0.00 O ATOM 184 CB ILE A 15 2.921 -11.027 0.073 1.00 0.00 C ATOM 185 CG1 ILE A 15 3.574 -11.344 -1.274 1.00 0.00 C ATOM 186 CG2 ILE A 15 3.960 -10.764 1.165 1.00 0.00 C ATOM 187 CD1 ILE A 15 4.024 -10.064 -1.980 1.00 0.00 C ATOM 0 H ILE A 15 0.647 -11.361 -0.948 1.00 0.00 H new ATOM 0 HA ILE A 15 2.541 -13.060 0.471 1.00 0.00 H new ATOM 0 HB ILE A 15 2.348 -10.109 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.431 -12.000 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.869 -11.883 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.633 -9.969 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.455 -10.463 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.534 -11.673 1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.485 -10.318 -2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.161 -9.421 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.748 -9.539 -1.356 1.00 0.00 H new ATOM 199 N GLN A 16 0.314 -11.250 2.014 1.00 0.00 N ATOM 200 CA GLN A 16 -0.312 -11.016 3.304 1.00 0.00 C ATOM 201 C GLN A 16 -0.881 -12.322 3.862 1.00 0.00 C ATOM 202 O GLN A 16 -0.848 -12.552 5.071 1.00 0.00 O ATOM 203 CB GLN A 16 -1.398 -9.945 3.200 1.00 0.00 C ATOM 204 CG GLN A 16 -0.819 -8.625 2.687 1.00 0.00 C ATOM 205 CD GLN A 16 0.572 -8.372 3.272 1.00 0.00 C ATOM 206 OE1 GLN A 16 1.532 -8.108 2.567 1.00 0.00 O ATOM 207 NE2 GLN A 16 0.626 -8.467 4.598 1.00 0.00 N ATOM 0 H GLN A 16 -0.160 -10.811 1.224 1.00 0.00 H new ATOM 0 HA GLN A 16 0.448 -10.649 3.994 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.187 -10.286 2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.856 -9.790 4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.761 -8.648 1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.484 -7.804 2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.216 -8.691 5.128 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.510 -8.315 5.085 1.00 0.00 H new ATOM 216 N GLN A 17 -1.390 -13.144 2.956 1.00 0.00 N ATOM 217 CA GLN A 17 -1.966 -14.421 3.343 1.00 0.00 C ATOM 218 C GLN A 17 -0.864 -15.467 3.522 1.00 0.00 C ATOM 219 O GLN A 17 -0.878 -16.230 4.487 1.00 0.00 O ATOM 220 CB GLN A 17 -3.003 -14.887 2.320 1.00 0.00 C ATOM 221 CG GLN A 17 -2.341 -15.674 1.187 1.00 0.00 C ATOM 222 CD GLN A 17 -3.367 -16.073 0.124 1.00 0.00 C ATOM 223 OE1 GLN A 17 -3.600 -17.240 -0.143 1.00 0.00 O ATOM 224 NE2 GLN A 17 -3.965 -15.041 -0.465 1.00 0.00 N ATOM 0 H GLN A 17 -1.416 -12.951 1.955 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.477 -14.293 4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.750 -15.510 2.812 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.528 -14.024 1.910 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.556 -15.071 0.731 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.864 -16.567 1.590 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.723 -14.088 -0.193 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.666 -15.203 -1.188 1.00 0.00 H new ATOM 233 N ALA A 18 0.065 -15.470 2.578 1.00 0.00 N ATOM 234 CA ALA A 18 1.172 -16.410 2.619 1.00 0.00 C ATOM 235 C ALA A 18 2.024 -16.134 3.860 1.00 0.00 C ATOM 236 O ALA A 18 2.639 -17.046 4.410 1.00 0.00 O ATOM 237 CB ALA A 18 1.979 -16.307 1.323 1.00 0.00 C ATOM 0 H ALA A 18 0.074 -14.836 1.779 1.00 0.00 H new ATOM 0 HA ALA A 18 0.804 -17.433 2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.809 -17.012 1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.336 -16.541 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.367 -15.294 1.216 1.00 0.00 H new ATOM 243 N ARG A 19 2.032 -14.872 4.264 1.00 0.00 N ATOM 244 CA ARG A 19 2.798 -14.464 5.429 1.00 0.00 C ATOM 245 C ARG A 19 2.046 -14.824 6.712 1.00 0.00 C ATOM 246 O ARG A 19 2.643 -14.905 7.784 1.00 0.00 O ATOM 247 CB ARG A 19 3.070 -12.959 5.410 1.00 0.00 C ATOM 248 CG ARG A 19 4.273 -12.629 4.525 1.00 0.00 C ATOM 249 CD ARG A 19 4.605 -11.137 4.583 1.00 0.00 C ATOM 250 NE ARG A 19 6.070 -10.941 4.509 1.00 0.00 N ATOM 251 CZ ARG A 19 6.916 -11.219 5.509 1.00 0.00 C ATOM 252 NH1 ARG A 19 6.449 -11.707 6.666 1.00 0.00 N ATOM 253 NH2 ARG A 19 8.231 -11.009 5.353 1.00 0.00 N ATOM 0 H ARG A 19 1.520 -14.119 3.805 1.00 0.00 H new ATOM 0 HA ARG A 19 3.750 -14.994 5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.189 -12.432 5.044 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.253 -12.606 6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.137 -13.210 4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.062 -12.918 3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.118 -10.615 3.759 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.218 -10.706 5.506 1.00 0.00 H new ATOM 0 HE ARG A 19 6.460 -10.571 3.642 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.449 -11.867 6.785 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.094 -11.919 7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.587 -10.637 4.472 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.875 -11.221 6.115 1.00 0.00 H new ATOM 267 N LYS A 20 0.746 -15.031 6.559 1.00 0.00 N ATOM 268 CA LYS A 20 -0.094 -15.381 7.691 1.00 0.00 C ATOM 269 C LYS A 20 -0.195 -14.181 8.635 1.00 0.00 C ATOM 270 O LYS A 20 -0.441 -14.345 9.829 1.00 0.00 O ATOM 271 CB LYS A 20 0.419 -16.653 8.367 1.00 0.00 C ATOM 272 CG LYS A 20 0.282 -17.861 7.438 1.00 0.00 C ATOM 273 CD LYS A 20 0.142 -19.157 8.241 1.00 0.00 C ATOM 274 CE LYS A 20 0.470 -20.375 7.375 1.00 0.00 C ATOM 275 NZ LYS A 20 -0.650 -21.342 7.395 1.00 0.00 N ATOM 0 H LYS A 20 0.254 -14.963 5.668 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.106 -15.612 7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.464 -16.523 8.649 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.139 -16.831 9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.588 -17.732 6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.154 -17.925 6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.808 -19.129 9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.874 -19.243 8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.666 -20.058 6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.378 -20.854 7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.411 -22.162 6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.819 -21.658 8.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.509 -20.886 7.025 1.00 0.00 H new ATOM 289 N GLU A 21 0.000 -13.001 8.065 1.00 0.00 N ATOM 290 CA GLU A 21 -0.066 -11.774 8.840 1.00 0.00 C ATOM 291 C GLU A 21 -1.481 -11.196 8.800 1.00 0.00 C ATOM 292 O GLU A 21 -2.234 -11.319 9.764 1.00 0.00 O ATOM 293 CB GLU A 21 0.958 -10.754 8.340 1.00 0.00 C ATOM 294 CG GLU A 21 2.386 -11.268 8.535 1.00 0.00 C ATOM 295 CD GLU A 21 2.812 -11.162 10.001 1.00 0.00 C ATOM 296 OE1 GLU A 21 2.472 -10.128 10.617 1.00 0.00 O ATOM 297 OE2 GLU A 21 3.467 -12.116 10.472 1.00 0.00 O ATOM 0 H GLU A 21 0.204 -12.869 7.074 1.00 0.00 H new ATOM 0 HA GLU A 21 0.180 -12.008 9.876 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.784 -10.546 7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.830 -9.813 8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.450 -12.306 8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.071 -10.694 7.911 1.00 0.00 H new ATOM 304 N LYS A 22 -1.801 -10.577 7.673 1.00 0.00 N ATOM 305 CA LYS A 22 -3.113 -9.979 7.494 1.00 0.00 C ATOM 306 C LYS A 22 -3.131 -9.181 6.188 1.00 0.00 C ATOM 307 O LYS A 22 -2.188 -8.451 5.889 1.00 0.00 O ATOM 308 CB LYS A 22 -3.499 -9.154 8.723 1.00 0.00 C ATOM 309 CG LYS A 22 -4.690 -8.243 8.421 1.00 0.00 C ATOM 310 CD LYS A 22 -6.012 -8.997 8.582 1.00 0.00 C ATOM 311 CE LYS A 22 -6.967 -8.238 9.504 1.00 0.00 C ATOM 312 NZ LYS A 22 -6.431 -8.195 10.883 1.00 0.00 N ATOM 0 H LYS A 22 -1.174 -10.477 6.875 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.875 -10.753 7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.747 -9.820 9.549 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.648 -8.552 9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.674 -7.383 9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.609 -7.857 7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.477 -9.136 7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.821 -9.990 8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.112 -7.224 9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.944 -8.721 9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.213 -8.061 11.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.943 -9.089 11.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.760 -7.405 10.970 1.00 0.00 H new ATOM 326 N GLU A 23 -4.216 -9.348 5.445 1.00 0.00 N ATOM 327 CA GLU A 23 -4.369 -8.653 4.178 1.00 0.00 C ATOM 328 C GLU A 23 -3.905 -7.202 4.310 1.00 0.00 C ATOM 329 O GLU A 23 -3.841 -6.664 5.414 1.00 0.00 O ATOM 330 CB GLU A 23 -5.816 -8.724 3.686 1.00 0.00 C ATOM 331 CG GLU A 23 -6.148 -10.120 3.155 1.00 0.00 C ATOM 332 CD GLU A 23 -7.293 -10.064 2.142 1.00 0.00 C ATOM 333 OE1 GLU A 23 -7.353 -9.053 1.409 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.083 -11.032 2.124 1.00 0.00 O ATOM 0 H GLU A 23 -4.997 -9.954 5.696 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.743 -9.148 3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.494 -8.471 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.973 -7.985 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.265 -10.554 2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.423 -10.772 3.984 1.00 0.00 H new ATOM 341 N PRO A 24 -3.584 -6.592 3.137 1.00 0.00 N ATOM 342 CA PRO A 24 -3.127 -5.213 3.110 1.00 0.00 C ATOM 343 C PRO A 24 -4.291 -4.246 3.334 1.00 0.00 C ATOM 344 O PRO A 24 -5.418 -4.521 2.927 1.00 0.00 O ATOM 345 CB PRO A 24 -2.466 -5.044 1.752 1.00 0.00 C ATOM 346 CG PRO A 24 -2.984 -6.184 0.891 1.00 0.00 C ATOM 347 CD PRO A 24 -3.647 -7.198 1.810 1.00 0.00 C ATOM 0 HA PRO A 24 -2.423 -4.987 3.911 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.717 -4.078 1.313 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.380 -5.082 1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.697 -5.813 0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.167 -6.647 0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.677 -7.390 1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.125 -8.155 1.786 1.00 0.00 H new ATOM 355 N ASP A 25 -3.977 -3.133 3.981 1.00 0.00 N ATOM 356 CA ASP A 25 -4.983 -2.123 4.264 1.00 0.00 C ATOM 357 C ASP A 25 -4.712 -0.885 3.406 1.00 0.00 C ATOM 358 O ASP A 25 -3.800 -0.112 3.697 1.00 0.00 O ATOM 359 CB ASP A 25 -4.940 -1.699 5.733 1.00 0.00 C ATOM 360 CG ASP A 25 -6.243 -1.913 6.506 1.00 0.00 C ATOM 361 OD1 ASP A 25 -7.221 -2.347 5.861 1.00 0.00 O ATOM 362 OD2 ASP A 25 -6.231 -1.636 7.725 1.00 0.00 O ATOM 0 H ASP A 25 -3.041 -2.908 4.317 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.961 -2.549 4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.144 -2.252 6.232 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.675 -0.643 5.783 1.00 0.00 H new ATOM 367 N TYR A 26 -5.520 -0.735 2.367 1.00 0.00 N ATOM 368 CA TYR A 26 -5.379 0.395 1.466 1.00 0.00 C ATOM 369 C TYR A 26 -6.185 1.597 1.964 1.00 0.00 C ATOM 370 O TYR A 26 -7.311 1.443 2.433 1.00 0.00 O ATOM 371 CB TYR A 26 -5.948 -0.063 0.122 1.00 0.00 C ATOM 372 CG TYR A 26 -5.120 -1.151 -0.566 1.00 0.00 C ATOM 373 CD1 TYR A 26 -4.067 -0.801 -1.387 1.00 0.00 C ATOM 374 CD2 TYR A 26 -5.425 -2.481 -0.364 1.00 0.00 C ATOM 375 CE1 TYR A 26 -3.288 -1.824 -2.035 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.646 -3.505 -1.011 1.00 0.00 C ATOM 377 CZ TYR A 26 -3.616 -3.126 -1.814 1.00 0.00 C ATOM 378 OH TYR A 26 -2.879 -4.092 -2.426 1.00 0.00 O ATOM 0 H TYR A 26 -6.275 -1.378 2.129 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.335 0.701 1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.961 -0.434 0.276 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.021 0.798 -0.542 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.827 0.240 -1.543 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.248 -2.754 0.279 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.463 -1.564 -2.681 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.875 -4.550 -0.862 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.059 -4.958 -2.004 1.00 0.00 H new ATOM 388 N ILE A 27 -5.576 2.768 1.844 1.00 0.00 N ATOM 389 CA ILE A 27 -6.222 3.995 2.275 1.00 0.00 C ATOM 390 C ILE A 27 -6.045 5.066 1.197 1.00 0.00 C ATOM 391 O ILE A 27 -4.936 5.288 0.713 1.00 0.00 O ATOM 392 CB ILE A 27 -5.705 4.418 3.652 1.00 0.00 C ATOM 393 CG1 ILE A 27 -5.565 3.209 4.580 1.00 0.00 C ATOM 394 CG2 ILE A 27 -6.590 5.508 4.260 1.00 0.00 C ATOM 395 CD1 ILE A 27 -4.115 2.727 4.637 1.00 0.00 C ATOM 0 H ILE A 27 -4.642 2.892 1.454 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.294 3.838 2.396 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.710 4.845 3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.904 3.474 5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.207 2.401 4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.200 5.790 5.238 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.594 6.380 3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.607 5.132 4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.043 1.867 5.303 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.787 2.440 3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.479 3.530 5.011 1.00 0.00 H new ATOM 407 N LEU A 28 -7.155 5.702 0.852 1.00 0.00 N ATOM 408 CA LEU A 28 -7.137 6.744 -0.160 1.00 0.00 C ATOM 409 C LEU A 28 -6.603 8.038 0.456 1.00 0.00 C ATOM 410 O LEU A 28 -7.263 8.650 1.295 1.00 0.00 O ATOM 411 CB LEU A 28 -8.519 6.893 -0.801 1.00 0.00 C ATOM 412 CG LEU A 28 -8.604 7.843 -1.997 1.00 0.00 C ATOM 413 CD1 LEU A 28 -8.553 9.303 -1.543 1.00 0.00 C ATOM 414 CD2 LEU A 28 -7.519 7.525 -3.029 1.00 0.00 C ATOM 0 H LEU A 28 -8.073 5.515 1.256 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.462 6.474 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.858 5.907 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.216 7.238 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.567 7.691 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.615 9.957 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.391 9.506 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.617 9.488 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.602 8.215 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.537 7.631 -2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.645 6.503 -3.386 1.00 0.00 H new ATOM 426 N LEU A 29 -5.412 8.418 0.017 1.00 0.00 N ATOM 427 CA LEU A 29 -4.781 9.628 0.515 1.00 0.00 C ATOM 428 C LEU A 29 -5.566 10.846 0.023 1.00 0.00 C ATOM 429 O LEU A 29 -6.107 11.606 0.826 1.00 0.00 O ATOM 430 CB LEU A 29 -3.300 9.657 0.133 1.00 0.00 C ATOM 431 CG LEU A 29 -2.401 8.653 0.859 1.00 0.00 C ATOM 432 CD1 LEU A 29 -0.959 9.160 0.931 1.00 0.00 C ATOM 433 CD2 LEU A 29 -2.960 8.318 2.243 1.00 0.00 C ATOM 0 H LEU A 29 -4.867 7.909 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.806 9.650 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.218 9.479 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.916 10.660 0.320 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.389 7.727 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.342 8.428 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.574 9.307 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.933 10.106 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.303 7.603 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.022 9.228 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.955 7.885 2.139 1.00 0.00 H new ATOM 445 N SER A 30 -5.603 10.995 -1.293 1.00 0.00 N ATOM 446 CA SER A 30 -6.313 12.108 -1.901 1.00 0.00 C ATOM 447 C SER A 30 -6.392 11.913 -3.416 1.00 0.00 C ATOM 448 O SER A 30 -5.820 10.966 -3.954 1.00 0.00 O ATOM 449 CB SER A 30 -5.635 13.439 -1.572 1.00 0.00 C ATOM 450 OG SER A 30 -6.579 14.494 -1.410 1.00 0.00 O ATOM 0 H SER A 30 -5.153 10.363 -1.955 1.00 0.00 H new ATOM 0 HA SER A 30 -7.323 12.134 -1.491 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.051 13.332 -0.658 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.937 13.697 -2.368 1.00 0.00 H new ATOM 0 HG SER A 30 -6.106 15.326 -1.199 1.00 0.00 H new ATOM 456 N GLU A 31 -7.105 12.824 -4.061 1.00 0.00 N ATOM 457 CA GLU A 31 -7.267 12.764 -5.504 1.00 0.00 C ATOM 458 C GLU A 31 -7.252 14.174 -6.099 1.00 0.00 C ATOM 459 O GLU A 31 -7.832 15.097 -5.531 1.00 0.00 O ATOM 460 CB GLU A 31 -8.551 12.023 -5.882 1.00 0.00 C ATOM 461 CG GLU A 31 -9.784 12.759 -5.354 1.00 0.00 C ATOM 462 CD GLU A 31 -10.064 12.384 -3.897 1.00 0.00 C ATOM 463 OE1 GLU A 31 -10.334 11.187 -3.660 1.00 0.00 O ATOM 464 OE2 GLU A 31 -10.001 13.304 -3.053 1.00 0.00 O ATOM 0 H GLU A 31 -7.577 13.608 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.429 12.206 -5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.615 11.929 -6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.525 11.012 -5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.631 13.835 -5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.650 12.514 -5.969 1.00 0.00 H new ATOM 471 N ARG A 32 -6.582 14.295 -7.236 1.00 0.00 N ATOM 472 CA ARG A 32 -6.484 15.576 -7.913 1.00 0.00 C ATOM 473 C ARG A 32 -5.642 15.441 -9.184 1.00 0.00 C ATOM 474 O ARG A 32 -5.259 14.336 -9.565 1.00 0.00 O ATOM 475 CB ARG A 32 -5.856 16.634 -7.004 1.00 0.00 C ATOM 476 CG ARG A 32 -4.359 16.378 -6.817 1.00 0.00 C ATOM 477 CD ARG A 32 -3.699 17.521 -6.043 1.00 0.00 C ATOM 478 NE ARG A 32 -2.526 18.026 -6.790 1.00 0.00 N ATOM 479 CZ ARG A 32 -1.709 18.989 -6.343 1.00 0.00 C ATOM 480 NH1 ARG A 32 -1.932 19.557 -5.149 1.00 0.00 N ATOM 481 NH2 ARG A 32 -0.668 19.385 -7.088 1.00 0.00 N ATOM 0 H ARG A 32 -6.102 13.527 -7.705 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.494 15.891 -8.173 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.008 17.624 -7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.354 16.627 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.211 15.439 -6.283 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.881 16.270 -7.790 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.416 18.327 -5.887 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.391 17.173 -5.057 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.327 17.615 -7.702 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.724 19.256 -4.581 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.310 20.290 -4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.497 18.953 -7.996 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.046 20.118 -6.747 1.00 0.00 H new ATOM 495 N GLY A 33 -5.379 16.582 -9.805 1.00 0.00 N ATOM 496 CA GLY A 33 -4.590 16.605 -11.025 1.00 0.00 C ATOM 497 C GLY A 33 -5.458 16.961 -12.233 1.00 0.00 C ATOM 498 O GLY A 33 -6.682 16.849 -12.177 1.00 0.00 O ATOM 0 H GLY A 33 -5.698 17.497 -9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.783 17.331 -10.926 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.126 15.631 -11.181 1.00 0.00 H new ATOM 502 N MET A 34 -4.791 17.383 -13.297 1.00 0.00 N ATOM 503 CA MET A 34 -5.486 17.756 -14.517 1.00 0.00 C ATOM 504 C MET A 34 -6.540 16.711 -14.889 1.00 0.00 C ATOM 505 O MET A 34 -6.462 15.563 -14.454 1.00 0.00 O ATOM 506 CB MET A 34 -4.477 17.892 -15.659 1.00 0.00 C ATOM 507 CG MET A 34 -3.929 19.318 -15.739 1.00 0.00 C ATOM 508 SD MET A 34 -3.233 19.615 -17.356 1.00 0.00 S ATOM 509 CE MET A 34 -4.407 20.802 -17.986 1.00 0.00 C ATOM 0 H MET A 34 -3.776 17.475 -13.339 1.00 0.00 H new ATOM 0 HA MET A 34 -5.989 18.708 -14.349 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.656 17.191 -15.509 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.953 17.628 -16.603 1.00 0.00 H new ATOM 0 HG2 MET A 34 -4.726 20.034 -15.540 1.00 0.00 H new ATOM 0 HG3 MET A 34 -3.168 19.467 -14.973 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.120 21.097 -18.995 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.401 20.355 -18.007 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.418 21.680 -17.341 1.00 0.00 H new ATOM 519 N PRO A 35 -7.528 17.158 -15.711 1.00 0.00 N ATOM 520 CA PRO A 35 -8.596 16.274 -16.146 1.00 0.00 C ATOM 521 C PRO A 35 -8.100 15.299 -17.215 1.00 0.00 C ATOM 522 O PRO A 35 -8.653 14.212 -17.374 1.00 0.00 O ATOM 523 CB PRO A 35 -9.692 17.200 -16.649 1.00 0.00 C ATOM 524 CG PRO A 35 -9.020 18.538 -16.909 1.00 0.00 C ATOM 525 CD PRO A 35 -7.653 18.511 -16.245 1.00 0.00 C ATOM 0 HA PRO A 35 -8.968 15.637 -15.344 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.147 16.808 -17.559 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.488 17.300 -15.911 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.920 18.713 -17.980 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.623 19.352 -16.508 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.861 18.729 -16.961 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.582 19.257 -15.454 1.00 0.00 H new ATOM 533 N ARG A 36 -7.061 15.723 -17.921 1.00 0.00 N ATOM 534 CA ARG A 36 -6.484 14.901 -18.970 1.00 0.00 C ATOM 535 C ARG A 36 -5.772 13.690 -18.365 1.00 0.00 C ATOM 536 O ARG A 36 -5.826 12.592 -18.918 1.00 0.00 O ATOM 537 CB ARG A 36 -5.489 15.701 -19.813 1.00 0.00 C ATOM 538 CG ARG A 36 -6.211 16.523 -20.882 1.00 0.00 C ATOM 539 CD ARG A 36 -6.181 15.809 -22.235 1.00 0.00 C ATOM 540 NE ARG A 36 -4.844 15.952 -22.853 1.00 0.00 N ATOM 541 CZ ARG A 36 -4.576 15.671 -24.136 1.00 0.00 C ATOM 542 NH1 ARG A 36 -5.550 15.231 -24.943 1.00 0.00 N ATOM 543 NH2 ARG A 36 -3.333 15.831 -24.610 1.00 0.00 N ATOM 0 H ARG A 36 -6.605 16.625 -17.786 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.298 14.564 -19.612 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.911 16.364 -19.168 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.781 15.022 -20.288 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.244 16.693 -20.579 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.740 17.502 -20.973 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.419 14.753 -22.104 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.942 16.228 -22.894 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.079 16.285 -22.266 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.496 15.110 -24.581 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.346 15.017 -25.919 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.592 16.166 -23.995 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.128 15.617 -25.586 1.00 0.00 H new ATOM 557 N ARG A 37 -5.120 13.930 -17.237 1.00 0.00 N ATOM 558 CA ARG A 37 -4.397 12.873 -16.550 1.00 0.00 C ATOM 559 C ARG A 37 -4.521 13.043 -15.035 1.00 0.00 C ATOM 560 O ARG A 37 -3.580 13.482 -14.376 1.00 0.00 O ATOM 561 CB ARG A 37 -2.917 12.876 -16.937 1.00 0.00 C ATOM 562 CG ARG A 37 -2.711 12.256 -18.321 1.00 0.00 C ATOM 563 CD ARG A 37 -1.821 11.014 -18.238 1.00 0.00 C ATOM 564 NE ARG A 37 -1.383 10.614 -19.594 1.00 0.00 N ATOM 565 CZ ARG A 37 -0.471 9.663 -19.838 1.00 0.00 C ATOM 566 NH1 ARG A 37 0.104 9.008 -18.821 1.00 0.00 N ATOM 567 NH2 ARG A 37 -0.135 9.366 -21.101 1.00 0.00 N ATOM 0 H ARG A 37 -5.077 14.842 -16.781 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.837 11.922 -16.850 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.538 13.898 -16.932 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.343 12.320 -16.196 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.676 11.988 -18.751 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.257 12.989 -18.988 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.953 11.220 -17.612 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.367 10.196 -17.767 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.801 11.092 -20.392 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.152 9.233 -17.860 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.798 8.284 -19.008 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.573 9.864 -21.876 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.559 8.642 -21.287 1.00 0.00 H new ATOM 581 N ARG A 38 -5.691 12.686 -14.525 1.00 0.00 N ATOM 582 CA ARG A 38 -5.951 12.793 -13.099 1.00 0.00 C ATOM 583 C ARG A 38 -4.875 12.049 -12.306 1.00 0.00 C ATOM 584 O ARG A 38 -4.163 11.209 -12.856 1.00 0.00 O ATOM 585 CB ARG A 38 -7.324 12.221 -12.745 1.00 0.00 C ATOM 586 CG ARG A 38 -8.354 13.338 -12.562 1.00 0.00 C ATOM 587 CD ARG A 38 -8.681 13.545 -11.082 1.00 0.00 C ATOM 588 NE ARG A 38 -9.943 12.852 -10.741 1.00 0.00 N ATOM 589 CZ ARG A 38 -10.692 13.140 -9.667 1.00 0.00 C ATOM 590 NH1 ARG A 38 -10.310 14.109 -8.824 1.00 0.00 N ATOM 591 NH2 ARG A 38 -11.823 12.459 -9.437 1.00 0.00 N ATOM 0 H ARG A 38 -6.470 12.322 -15.074 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.933 13.851 -12.837 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.653 11.543 -13.533 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.252 11.634 -11.829 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.969 14.265 -12.986 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.264 13.091 -13.108 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.868 13.163 -10.465 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.771 14.610 -10.866 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.263 12.109 -11.362 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.449 14.628 -8.999 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.880 14.328 -8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.114 11.722 -10.079 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.393 12.678 -8.620 1.00 0.00 H new ATOM 605 N GLU A 39 -4.791 12.382 -11.027 1.00 0.00 N ATOM 606 CA GLU A 39 -3.814 11.755 -10.153 1.00 0.00 C ATOM 607 C GLU A 39 -4.459 11.383 -8.817 1.00 0.00 C ATOM 608 O GLU A 39 -4.995 12.244 -8.121 1.00 0.00 O ATOM 609 CB GLU A 39 -2.603 12.666 -9.942 1.00 0.00 C ATOM 610 CG GLU A 39 -1.491 11.934 -9.188 1.00 0.00 C ATOM 611 CD GLU A 39 -0.124 12.552 -9.491 1.00 0.00 C ATOM 612 OE1 GLU A 39 0.208 12.632 -10.694 1.00 0.00 O ATOM 613 OE2 GLU A 39 0.558 12.929 -8.514 1.00 0.00 O ATOM 0 H GLU A 39 -5.384 13.078 -10.574 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.461 10.841 -10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.229 13.009 -10.907 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.903 13.553 -9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.684 11.977 -8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.488 10.881 -9.469 1.00 0.00 H new ATOM 620 N PHE A 40 -4.386 10.099 -8.499 1.00 0.00 N ATOM 621 CA PHE A 40 -4.956 9.601 -7.258 1.00 0.00 C ATOM 622 C PHE A 40 -3.873 9.005 -6.357 1.00 0.00 C ATOM 623 O PHE A 40 -3.157 8.091 -6.762 1.00 0.00 O ATOM 624 CB PHE A 40 -5.953 8.503 -7.633 1.00 0.00 C ATOM 625 CG PHE A 40 -7.320 9.027 -8.077 1.00 0.00 C ATOM 626 CD1 PHE A 40 -7.495 9.479 -9.348 1.00 0.00 C ATOM 627 CD2 PHE A 40 -8.360 9.043 -7.200 1.00 0.00 C ATOM 628 CE1 PHE A 40 -8.764 9.966 -9.760 1.00 0.00 C ATOM 629 CE2 PHE A 40 -9.629 9.530 -7.612 1.00 0.00 C ATOM 630 CZ PHE A 40 -9.804 9.981 -8.883 1.00 0.00 C ATOM 0 H PHE A 40 -3.941 9.388 -9.079 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.434 10.416 -6.715 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.528 7.900 -8.436 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.089 7.843 -6.777 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.669 9.468 -10.044 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.221 8.685 -6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.903 10.324 -10.769 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.455 9.542 -6.916 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.769 10.351 -9.196 1.00 0.00 H new ATOM 640 N VAL A 41 -3.788 9.547 -5.151 1.00 0.00 N ATOM 641 CA VAL A 41 -2.804 9.080 -4.189 1.00 0.00 C ATOM 642 C VAL A 41 -3.407 7.944 -3.360 1.00 0.00 C ATOM 643 O VAL A 41 -4.413 8.134 -2.678 1.00 0.00 O ATOM 644 CB VAL A 41 -2.314 10.250 -3.332 1.00 0.00 C ATOM 645 CG1 VAL A 41 -1.074 9.856 -2.526 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.038 11.483 -4.195 1.00 0.00 C ATOM 0 H VAL A 41 -4.384 10.305 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.929 8.680 -4.701 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.105 10.505 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.746 10.704 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.317 9.020 -1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.275 9.563 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.691 12.300 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.272 11.246 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.954 11.783 -4.705 1.00 0.00 H new ATOM 656 N MET A 42 -2.766 6.788 -3.447 1.00 0.00 N ATOM 657 CA MET A 42 -3.226 5.621 -2.713 1.00 0.00 C ATOM 658 C MET A 42 -2.185 5.173 -1.686 1.00 0.00 C ATOM 659 O MET A 42 -0.984 5.250 -1.940 1.00 0.00 O ATOM 660 CB MET A 42 -3.502 4.478 -3.693 1.00 0.00 C ATOM 661 CG MET A 42 -4.610 3.562 -3.169 1.00 0.00 C ATOM 662 SD MET A 42 -6.122 4.489 -2.965 1.00 0.00 S ATOM 663 CE MET A 42 -7.260 3.156 -2.629 1.00 0.00 C ATOM 0 H MET A 42 -1.932 6.634 -4.014 1.00 0.00 H new ATOM 0 HA MET A 42 -4.141 5.886 -2.183 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.791 4.886 -4.662 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.591 3.900 -3.849 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.770 2.737 -3.863 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.311 3.124 -2.217 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.260 3.561 -2.475 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.273 2.467 -3.474 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.943 2.624 -1.732 1.00 0.00 H new ATOM 673 N GLN A 43 -2.683 4.714 -0.547 1.00 0.00 N ATOM 674 CA GLN A 43 -1.811 4.254 0.520 1.00 0.00 C ATOM 675 C GLN A 43 -2.078 2.778 0.825 1.00 0.00 C ATOM 676 O GLN A 43 -3.181 2.284 0.597 1.00 0.00 O ATOM 677 CB GLN A 43 -1.979 5.112 1.775 1.00 0.00 C ATOM 678 CG GLN A 43 -0.729 5.048 2.655 1.00 0.00 C ATOM 679 CD GLN A 43 -0.805 6.072 3.789 1.00 0.00 C ATOM 680 OE1 GLN A 43 -0.044 7.024 3.853 1.00 0.00 O ATOM 681 NE2 GLN A 43 -1.762 5.825 4.679 1.00 0.00 N ATOM 0 H GLN A 43 -3.680 4.651 -0.340 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.778 4.355 0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.174 6.146 1.490 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.845 4.769 2.341 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.624 4.046 3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.157 5.236 2.049 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.365 5.010 4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.893 6.450 5.474 1.00 0.00 H new ATOM 690 N VAL A 44 -1.050 2.117 1.335 1.00 0.00 N ATOM 691 CA VAL A 44 -1.160 0.708 1.674 1.00 0.00 C ATOM 692 C VAL A 44 -0.449 0.451 3.004 1.00 0.00 C ATOM 693 O VAL A 44 0.680 0.895 3.205 1.00 0.00 O ATOM 694 CB VAL A 44 -0.614 -0.149 0.529 1.00 0.00 C ATOM 695 CG1 VAL A 44 0.879 0.107 0.316 1.00 0.00 C ATOM 696 CG2 VAL A 44 -0.886 -1.634 0.779 1.00 0.00 C ATOM 0 H VAL A 44 -0.137 2.531 1.522 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.205 0.427 1.804 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.136 0.139 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.241 -0.514 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.037 1.158 0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.424 -0.140 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.488 -2.221 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.403 -1.941 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.961 -1.799 0.857 1.00 0.00 H new ATOM 706 N LYS A 45 -1.141 -0.266 3.878 1.00 0.00 N ATOM 707 CA LYS A 45 -0.590 -0.587 5.184 1.00 0.00 C ATOM 708 C LYS A 45 -0.562 -2.107 5.360 1.00 0.00 C ATOM 709 O LYS A 45 -1.603 -2.760 5.312 1.00 0.00 O ATOM 710 CB LYS A 45 -1.360 0.145 6.285 1.00 0.00 C ATOM 711 CG LYS A 45 -0.447 0.468 7.470 1.00 0.00 C ATOM 712 CD LYS A 45 -1.266 0.838 8.708 1.00 0.00 C ATOM 713 CE LYS A 45 -1.149 2.332 9.017 1.00 0.00 C ATOM 714 NZ LYS A 45 -2.306 3.068 8.461 1.00 0.00 N ATOM 0 H LYS A 45 -2.077 -0.633 3.708 1.00 0.00 H new ATOM 0 HA LYS A 45 0.439 -0.237 5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.784 1.067 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.194 -0.471 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.185 -0.392 7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.216 1.293 7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.312 0.577 8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.920 0.258 9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.098 2.484 10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.224 2.725 8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.211 4.080 8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.337 2.938 7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.184 2.704 8.883 1.00 0.00 H new ATOM 728 N VAL A 46 0.640 -2.625 5.561 1.00 0.00 N ATOM 729 CA VAL A 46 0.818 -4.056 5.745 1.00 0.00 C ATOM 730 C VAL A 46 1.649 -4.304 7.006 1.00 0.00 C ATOM 731 O VAL A 46 2.843 -4.013 7.033 1.00 0.00 O ATOM 732 CB VAL A 46 1.437 -4.672 4.489 1.00 0.00 C ATOM 733 CG1 VAL A 46 2.264 -5.911 4.837 1.00 0.00 C ATOM 734 CG2 VAL A 46 0.362 -5.003 3.453 1.00 0.00 C ATOM 0 H VAL A 46 1.501 -2.080 5.601 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.145 -4.546 5.889 1.00 0.00 H new ATOM 0 HB VAL A 46 2.108 -3.934 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.693 -6.330 3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.066 -5.633 5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.624 -6.654 5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.829 -5.439 2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.346 -5.714 3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.165 -4.091 3.171 1.00 0.00 H new ATOM 744 N GLY A 47 0.983 -4.841 8.018 1.00 0.00 N ATOM 745 CA GLY A 47 1.646 -5.132 9.278 1.00 0.00 C ATOM 746 C GLY A 47 2.251 -3.864 9.885 1.00 0.00 C ATOM 747 O GLY A 47 1.527 -2.998 10.373 1.00 0.00 O ATOM 0 H GLY A 47 -0.008 -5.082 7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.932 -5.569 9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.430 -5.873 9.118 1.00 0.00 H new ATOM 751 N ASN A 48 3.573 -3.796 9.835 1.00 0.00 N ATOM 752 CA ASN A 48 4.284 -2.649 10.374 1.00 0.00 C ATOM 753 C ASN A 48 4.959 -1.889 9.230 1.00 0.00 C ATOM 754 O ASN A 48 5.951 -1.194 9.442 1.00 0.00 O ATOM 755 CB ASN A 48 5.372 -3.087 11.357 1.00 0.00 C ATOM 756 CG ASN A 48 5.238 -2.347 12.689 1.00 0.00 C ATOM 757 OD1 ASN A 48 4.428 -2.684 13.537 1.00 0.00 O ATOM 758 ND2 ASN A 48 6.074 -1.322 12.825 1.00 0.00 N ATOM 0 H ASN A 48 4.171 -4.516 9.430 1.00 0.00 H new ATOM 0 HA ASN A 48 3.562 -2.018 10.893 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.303 -4.162 11.526 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.355 -2.894 10.927 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.062 -0.764 13.679 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.727 -1.094 12.076 1.00 0.00 H new ATOM 765 N GLU A 49 4.393 -2.048 8.042 1.00 0.00 N ATOM 766 CA GLU A 49 4.928 -1.385 6.865 1.00 0.00 C ATOM 767 C GLU A 49 3.823 -0.608 6.145 1.00 0.00 C ATOM 768 O GLU A 49 2.643 -0.925 6.288 1.00 0.00 O ATOM 769 CB GLU A 49 5.592 -2.392 5.923 1.00 0.00 C ATOM 770 CG GLU A 49 7.040 -2.659 6.340 1.00 0.00 C ATOM 771 CD GLU A 49 7.116 -3.798 7.358 1.00 0.00 C ATOM 772 OE1 GLU A 49 6.913 -3.504 8.556 1.00 0.00 O ATOM 773 OE2 GLU A 49 7.376 -4.938 6.916 1.00 0.00 O ATOM 0 H GLU A 49 3.570 -2.626 7.870 1.00 0.00 H new ATOM 0 HA GLU A 49 5.693 -0.678 7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.030 -3.326 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.568 -2.011 4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.635 -2.911 5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.472 -1.754 6.768 1.00 0.00 H new ATOM 780 N VAL A 50 4.245 0.393 5.388 1.00 0.00 N ATOM 781 CA VAL A 50 3.306 1.218 4.646 1.00 0.00 C ATOM 782 C VAL A 50 3.916 1.584 3.291 1.00 0.00 C ATOM 783 O VAL A 50 5.136 1.620 3.145 1.00 0.00 O ATOM 784 CB VAL A 50 2.916 2.442 5.476 1.00 0.00 C ATOM 785 CG1 VAL A 50 3.687 3.683 5.020 1.00 0.00 C ATOM 786 CG2 VAL A 50 1.406 2.684 5.420 1.00 0.00 C ATOM 0 H VAL A 50 5.225 0.652 5.272 1.00 0.00 H new ATOM 0 HA VAL A 50 2.386 0.668 4.450 1.00 0.00 H new ATOM 0 HB VAL A 50 3.186 2.243 6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.391 4.539 5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.757 3.509 5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.463 3.886 3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.155 3.560 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.102 2.852 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.883 1.813 5.815 1.00 0.00 H new ATOM 796 N ALA A 51 3.037 1.845 2.334 1.00 0.00 N ATOM 797 CA ALA A 51 3.473 2.207 0.997 1.00 0.00 C ATOM 798 C ALA A 51 2.426 3.117 0.352 1.00 0.00 C ATOM 799 O ALA A 51 1.340 3.303 0.898 1.00 0.00 O ATOM 800 CB ALA A 51 3.724 0.937 0.180 1.00 0.00 C ATOM 0 H ALA A 51 2.025 1.813 2.459 1.00 0.00 H new ATOM 0 HA ALA A 51 4.411 2.760 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.051 1.209 -0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.496 0.340 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.803 0.357 0.117 1.00 0.00 H new ATOM 806 N THR A 52 2.789 3.659 -0.801 1.00 0.00 N ATOM 807 CA THR A 52 1.894 4.545 -1.526 1.00 0.00 C ATOM 808 C THR A 52 2.014 4.308 -3.033 1.00 0.00 C ATOM 809 O THR A 52 3.038 3.821 -3.508 1.00 0.00 O ATOM 810 CB THR A 52 2.212 5.982 -1.110 1.00 0.00 C ATOM 811 OG1 THR A 52 3.630 5.999 -0.976 1.00 0.00 O ATOM 812 CG2 THR A 52 1.701 6.312 0.294 1.00 0.00 C ATOM 0 H THR A 52 3.691 3.502 -1.251 1.00 0.00 H new ATOM 0 HA THR A 52 0.852 4.343 -1.279 1.00 0.00 H new ATOM 0 HB THR A 52 1.771 6.673 -1.828 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.923 6.896 -0.710 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.953 7.344 0.540 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.619 6.185 0.327 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.167 5.643 1.017 1.00 0.00 H new ATOM 820 N GLY A 53 0.953 4.664 -3.742 1.00 0.00 N ATOM 821 CA GLY A 53 0.926 4.496 -5.185 1.00 0.00 C ATOM 822 C GLY A 53 0.031 5.548 -5.843 1.00 0.00 C ATOM 823 O GLY A 53 -1.038 5.870 -5.326 1.00 0.00 O ATOM 0 H GLY A 53 0.105 5.068 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.938 4.574 -5.583 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.563 3.498 -5.432 1.00 0.00 H new ATOM 827 N THR A 54 0.500 6.055 -6.974 1.00 0.00 N ATOM 828 CA THR A 54 -0.245 7.063 -7.708 1.00 0.00 C ATOM 829 C THR A 54 -0.400 6.651 -9.173 1.00 0.00 C ATOM 830 O THR A 54 0.448 5.945 -9.716 1.00 0.00 O ATOM 831 CB THR A 54 0.469 8.404 -7.526 1.00 0.00 C ATOM 832 OG1 THR A 54 1.838 8.107 -7.787 1.00 0.00 O ATOM 833 CG2 THR A 54 0.462 8.879 -6.071 1.00 0.00 C ATOM 0 H THR A 54 1.387 5.786 -7.400 1.00 0.00 H new ATOM 0 HA THR A 54 -1.260 7.163 -7.323 1.00 0.00 H new ATOM 0 HB THR A 54 -0.006 9.156 -8.156 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.373 8.922 -7.693 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.981 9.835 -5.998 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.567 8.998 -5.732 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.967 8.143 -5.445 1.00 0.00 H new ATOM 841 N GLY A 55 -1.489 7.111 -9.772 1.00 0.00 N ATOM 842 CA GLY A 55 -1.765 6.798 -11.164 1.00 0.00 C ATOM 843 C GLY A 55 -2.851 7.718 -11.726 1.00 0.00 C ATOM 844 O GLY A 55 -3.186 8.734 -11.119 1.00 0.00 O ATOM 0 H GLY A 55 -2.190 7.698 -9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.853 6.903 -11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.082 5.759 -11.251 1.00 0.00 H new ATOM 848 N PRO A 56 -3.385 7.318 -12.912 1.00 0.00 N ATOM 849 CA PRO A 56 -4.426 8.094 -13.563 1.00 0.00 C ATOM 850 C PRO A 56 -5.771 7.911 -12.856 1.00 0.00 C ATOM 851 O PRO A 56 -6.667 8.743 -12.993 1.00 0.00 O ATOM 852 CB PRO A 56 -4.441 7.604 -15.002 1.00 0.00 C ATOM 853 CG PRO A 56 -3.736 6.258 -14.990 1.00 0.00 C ATOM 854 CD PRO A 56 -3.014 6.121 -13.660 1.00 0.00 C ATOM 0 HA PRO A 56 -4.237 9.167 -13.523 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.462 7.507 -15.371 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.930 8.307 -15.660 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.455 5.449 -15.119 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.029 6.190 -15.817 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.319 5.216 -13.135 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.935 6.060 -13.800 1.00 0.00 H new ATOM 862 N ASN A 57 -5.869 6.818 -12.115 1.00 0.00 N ATOM 863 CA ASN A 57 -7.089 6.515 -11.386 1.00 0.00 C ATOM 864 C ASN A 57 -6.738 5.751 -10.107 1.00 0.00 C ATOM 865 O ASN A 57 -5.701 5.093 -10.038 1.00 0.00 O ATOM 866 CB ASN A 57 -8.025 5.637 -12.219 1.00 0.00 C ATOM 867 CG ASN A 57 -7.264 4.946 -13.352 1.00 0.00 C ATOM 868 OD1 ASN A 57 -6.586 5.571 -14.150 1.00 0.00 O ATOM 869 ND2 ASN A 57 -7.415 3.625 -13.378 1.00 0.00 N ATOM 0 H ASN A 57 -5.124 6.131 -12.003 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.587 7.457 -11.157 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.492 4.888 -11.580 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.828 6.246 -12.634 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.948 3.072 -14.097 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.998 3.164 -12.679 1.00 0.00 H new ATOM 876 N LYS A 58 -7.621 5.865 -9.126 1.00 0.00 N ATOM 877 CA LYS A 58 -7.418 5.193 -7.854 1.00 0.00 C ATOM 878 C LYS A 58 -6.989 3.747 -8.109 1.00 0.00 C ATOM 879 O LYS A 58 -5.974 3.295 -7.581 1.00 0.00 O ATOM 880 CB LYS A 58 -8.664 5.320 -6.976 1.00 0.00 C ATOM 881 CG LYS A 58 -8.477 4.581 -5.649 1.00 0.00 C ATOM 882 CD LYS A 58 -9.689 3.701 -5.336 1.00 0.00 C ATOM 883 CE LYS A 58 -10.709 4.457 -4.482 1.00 0.00 C ATOM 884 NZ LYS A 58 -12.082 4.219 -4.982 1.00 0.00 N ATOM 0 H LYS A 58 -8.479 6.413 -9.186 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.613 5.670 -7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.872 6.373 -6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.528 4.915 -7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.578 3.966 -5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.329 5.302 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.157 3.376 -6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.365 2.802 -4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.633 4.135 -3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.489 5.524 -4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.762 4.739 -4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.155 4.548 -5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.295 3.202 -4.941 1.00 0.00 H new ATOM 898 N LYS A 59 -7.784 3.061 -8.917 1.00 0.00 N ATOM 899 CA LYS A 59 -7.499 1.675 -9.248 1.00 0.00 C ATOM 900 C LYS A 59 -5.992 1.501 -9.443 1.00 0.00 C ATOM 901 O LYS A 59 -5.331 0.838 -8.645 1.00 0.00 O ATOM 902 CB LYS A 59 -8.331 1.230 -10.452 1.00 0.00 C ATOM 903 CG LYS A 59 -9.721 0.762 -10.016 1.00 0.00 C ATOM 904 CD LYS A 59 -10.762 1.863 -10.228 1.00 0.00 C ATOM 905 CE LYS A 59 -11.865 1.786 -9.172 1.00 0.00 C ATOM 906 NZ LYS A 59 -11.354 2.229 -7.855 1.00 0.00 N ATOM 0 H LYS A 59 -8.625 3.439 -9.352 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.792 1.019 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.426 2.055 -11.158 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.818 0.422 -10.974 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.004 -0.125 -10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.699 0.475 -8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.278 2.839 -10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.199 1.769 -11.222 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.707 2.411 -9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.236 0.764 -9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.569 1.507 -7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.324 2.366 -7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.809 3.126 -7.590 1.00 0.00 H new ATOM 920 N ILE A 60 -5.492 2.108 -10.510 1.00 0.00 N ATOM 921 CA ILE A 60 -4.074 2.029 -10.820 1.00 0.00 C ATOM 922 C ILE A 60 -3.264 2.495 -9.609 1.00 0.00 C ATOM 923 O ILE A 60 -2.218 1.925 -9.301 1.00 0.00 O ATOM 924 CB ILE A 60 -3.763 2.803 -12.103 1.00 0.00 C ATOM 925 CG1 ILE A 60 -4.471 2.178 -13.306 1.00 0.00 C ATOM 926 CG2 ILE A 60 -2.253 2.917 -12.321 1.00 0.00 C ATOM 927 CD1 ILE A 60 -4.186 2.972 -14.583 1.00 0.00 C ATOM 0 H ILE A 60 -6.043 2.656 -11.170 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.784 0.997 -11.019 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.150 3.816 -11.994 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.139 1.147 -13.433 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.545 2.147 -13.125 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.059 3.471 -13.239 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.802 3.441 -11.478 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.821 1.920 -12.401 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.701 2.507 -15.423 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.541 3.996 -14.462 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.113 2.980 -14.775 1.00 0.00 H new ATOM 939 N ALA A 61 -3.779 3.525 -8.954 1.00 0.00 N ATOM 940 CA ALA A 61 -3.116 4.073 -7.783 1.00 0.00 C ATOM 941 C ALA A 61 -2.818 2.944 -6.795 1.00 0.00 C ATOM 942 O ALA A 61 -1.675 2.764 -6.379 1.00 0.00 O ATOM 943 CB ALA A 61 -3.989 5.170 -7.169 1.00 0.00 C ATOM 0 H ALA A 61 -4.647 3.994 -9.212 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.165 4.529 -8.059 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.492 5.581 -6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.146 5.962 -7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.951 4.749 -6.878 1.00 0.00 H new ATOM 949 N LYS A 62 -3.867 2.212 -6.448 1.00 0.00 N ATOM 950 CA LYS A 62 -3.732 1.105 -5.517 1.00 0.00 C ATOM 951 C LYS A 62 -2.696 0.115 -6.054 1.00 0.00 C ATOM 952 O LYS A 62 -1.817 -0.330 -5.318 1.00 0.00 O ATOM 953 CB LYS A 62 -5.096 0.474 -5.233 1.00 0.00 C ATOM 954 CG LYS A 62 -4.969 -0.688 -4.246 1.00 0.00 C ATOM 955 CD LYS A 62 -5.687 -1.934 -4.769 1.00 0.00 C ATOM 956 CE LYS A 62 -7.204 -1.785 -4.643 1.00 0.00 C ATOM 957 NZ LYS A 62 -7.654 -2.185 -3.291 1.00 0.00 N ATOM 0 H LYS A 62 -4.814 2.364 -6.795 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.364 1.460 -4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.772 1.227 -4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.537 0.118 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.916 -0.914 -4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.390 -0.399 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.420 -2.101 -5.812 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.356 -2.810 -4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.491 -0.752 -4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.699 -2.400 -5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.370 -1.512 -2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.066 -3.139 -3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.842 -2.185 -2.641 1.00 0.00 H new ATOM 971 N LYS A 63 -2.834 -0.200 -7.334 1.00 0.00 N ATOM 972 CA LYS A 63 -1.922 -1.128 -7.978 1.00 0.00 C ATOM 973 C LYS A 63 -0.483 -0.653 -7.766 1.00 0.00 C ATOM 974 O LYS A 63 0.409 -1.460 -7.508 1.00 0.00 O ATOM 975 CB LYS A 63 -2.297 -1.314 -9.450 1.00 0.00 C ATOM 976 CG LYS A 63 -3.329 -2.431 -9.616 1.00 0.00 C ATOM 977 CD LYS A 63 -4.269 -2.140 -10.787 1.00 0.00 C ATOM 978 CE LYS A 63 -5.616 -1.611 -10.291 1.00 0.00 C ATOM 979 NZ LYS A 63 -6.725 -2.435 -10.822 1.00 0.00 N ATOM 0 H LYS A 63 -3.564 0.172 -7.942 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.002 -2.116 -7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.698 -0.382 -9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.404 -1.550 -10.029 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.819 -3.380 -9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.907 -2.536 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.810 -1.409 -11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.423 -3.049 -11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.638 -1.620 -9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.744 -0.575 -10.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.632 -2.062 -10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.713 -2.405 -11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.611 -3.418 -10.503 1.00 0.00 H new ATOM 993 N ASN A 64 -0.302 0.654 -7.883 1.00 0.00 N ATOM 994 CA ASN A 64 1.013 1.247 -7.707 1.00 0.00 C ATOM 995 C ASN A 64 1.369 1.256 -6.219 1.00 0.00 C ATOM 996 O ASN A 64 2.544 1.288 -5.858 1.00 0.00 O ATOM 997 CB ASN A 64 1.037 2.692 -8.208 1.00 0.00 C ATOM 998 CG ASN A 64 1.525 2.762 -9.656 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.709 2.857 -9.936 1.00 0.00 O ATOM 1000 ND2 ASN A 64 0.549 2.711 -10.558 1.00 0.00 N ATOM 0 H ASN A 64 -1.044 1.320 -8.098 1.00 0.00 H new ATOM 0 HA ASN A 64 1.729 0.656 -8.278 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.038 3.122 -8.136 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.689 3.291 -7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.771 2.752 -11.553 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.422 2.631 -10.255 1.00 0.00 H new ATOM 1007 N ALA A 65 0.331 1.227 -5.395 1.00 0.00 N ATOM 1008 CA ALA A 65 0.519 1.231 -3.954 1.00 0.00 C ATOM 1009 C ALA A 65 1.206 -0.069 -3.530 1.00 0.00 C ATOM 1010 O ALA A 65 2.217 -0.041 -2.830 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.831 1.430 -3.263 1.00 0.00 C ATOM 0 H ALA A 65 -0.643 1.201 -5.698 1.00 0.00 H new ATOM 0 HA ALA A 65 1.163 2.057 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.690 1.433 -2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.263 2.381 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.504 0.618 -3.539 1.00 0.00 H new ATOM 1017 N ALA A 66 0.628 -1.177 -3.971 1.00 0.00 N ATOM 1018 CA ALA A 66 1.172 -2.485 -3.646 1.00 0.00 C ATOM 1019 C ALA A 66 2.592 -2.595 -4.204 1.00 0.00 C ATOM 1020 O ALA A 66 3.480 -3.138 -3.549 1.00 0.00 O ATOM 1021 CB ALA A 66 0.244 -3.573 -4.191 1.00 0.00 C ATOM 0 H ALA A 66 -0.211 -1.196 -4.550 1.00 0.00 H new ATOM 0 HA ALA A 66 1.232 -2.619 -2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.651 -4.554 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.743 -3.468 -3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.162 -3.473 -5.273 1.00 0.00 H new ATOM 1027 N GLU A 67 2.762 -2.072 -5.410 1.00 0.00 N ATOM 1028 CA GLU A 67 4.059 -2.106 -6.064 1.00 0.00 C ATOM 1029 C GLU A 67 5.150 -1.629 -5.103 1.00 0.00 C ATOM 1030 O GLU A 67 6.133 -2.332 -4.876 1.00 0.00 O ATOM 1031 CB GLU A 67 4.050 -1.266 -7.343 1.00 0.00 C ATOM 1032 CG GLU A 67 5.143 -1.727 -8.309 1.00 0.00 C ATOM 1033 CD GLU A 67 4.994 -1.046 -9.671 1.00 0.00 C ATOM 1034 OE1 GLU A 67 4.608 0.143 -9.672 1.00 0.00 O ATOM 1035 OE2 GLU A 67 5.271 -1.729 -10.680 1.00 0.00 O ATOM 0 H GLU A 67 2.023 -1.623 -5.951 1.00 0.00 H new ATOM 0 HA GLU A 67 4.275 -3.136 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.076 -1.343 -7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.199 -0.216 -7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.123 -1.500 -7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.092 -2.809 -8.432 1.00 0.00 H new ATOM 1042 N ALA A 68 4.940 -0.437 -4.564 1.00 0.00 N ATOM 1043 CA ALA A 68 5.894 0.142 -3.633 1.00 0.00 C ATOM 1044 C ALA A 68 6.032 -0.774 -2.416 1.00 0.00 C ATOM 1045 O ALA A 68 7.136 -0.988 -1.917 1.00 0.00 O ATOM 1046 CB ALA A 68 5.443 1.554 -3.252 1.00 0.00 C ATOM 0 H ALA A 68 4.123 0.144 -4.754 1.00 0.00 H new ATOM 0 HA ALA A 68 6.878 0.227 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.158 1.988 -2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.389 2.173 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.460 1.508 -2.783 1.00 0.00 H new ATOM 1052 N MET A 69 4.895 -1.291 -1.972 1.00 0.00 N ATOM 1053 CA MET A 69 4.875 -2.179 -0.822 1.00 0.00 C ATOM 1054 C MET A 69 5.714 -3.432 -1.082 1.00 0.00 C ATOM 1055 O MET A 69 6.448 -3.885 -0.205 1.00 0.00 O ATOM 1056 CB MET A 69 3.433 -2.586 -0.515 1.00 0.00 C ATOM 1057 CG MET A 69 3.387 -3.684 0.549 1.00 0.00 C ATOM 1058 SD MET A 69 4.377 -3.212 1.956 1.00 0.00 S ATOM 1059 CE MET A 69 3.206 -2.186 2.829 1.00 0.00 C ATOM 0 H MET A 69 3.981 -1.112 -2.388 1.00 0.00 H new ATOM 0 HA MET A 69 5.301 -1.649 0.029 1.00 0.00 H new ATOM 0 HB2 MET A 69 2.872 -1.717 -0.170 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.949 -2.937 -1.426 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.357 -3.857 0.860 1.00 0.00 H new ATOM 0 HG3 MET A 69 3.756 -4.621 0.132 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.309 -2.348 3.902 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.399 -1.138 2.600 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.194 -2.445 2.519 1.00 0.00 H new ATOM 1069 N LEU A 70 5.578 -3.955 -2.292 1.00 0.00 N ATOM 1070 CA LEU A 70 6.315 -5.147 -2.679 1.00 0.00 C ATOM 1071 C LEU A 70 7.789 -4.787 -2.879 1.00 0.00 C ATOM 1072 O LEU A 70 8.669 -5.617 -2.656 1.00 0.00 O ATOM 1073 CB LEU A 70 5.670 -5.802 -3.902 1.00 0.00 C ATOM 1074 CG LEU A 70 4.172 -6.093 -3.794 1.00 0.00 C ATOM 1075 CD1 LEU A 70 3.478 -5.903 -5.145 1.00 0.00 C ATOM 1076 CD2 LEU A 70 3.924 -7.487 -3.214 1.00 0.00 C ATOM 0 H LEU A 70 4.969 -3.576 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 70 6.274 -5.895 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.833 -5.156 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.189 -6.739 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 70 3.734 -5.374 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.414 -6.116 -5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.611 -4.875 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.914 -6.583 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.851 -7.668 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.379 -8.237 -3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.365 -7.551 -2.219 1.00 0.00 H new ATOM 1088 N LEU A 71 8.011 -3.550 -3.298 1.00 0.00 N ATOM 1089 CA LEU A 71 9.363 -3.071 -3.531 1.00 0.00 C ATOM 1090 C LEU A 71 10.084 -2.920 -2.191 1.00 0.00 C ATOM 1091 O LEU A 71 11.257 -3.270 -2.070 1.00 0.00 O ATOM 1092 CB LEU A 71 9.340 -1.788 -4.365 1.00 0.00 C ATOM 1093 CG LEU A 71 9.484 -1.969 -5.878 1.00 0.00 C ATOM 1094 CD1 LEU A 71 8.422 -1.165 -6.629 1.00 0.00 C ATOM 1095 CD2 LEU A 71 10.901 -1.619 -6.339 1.00 0.00 C ATOM 0 H LEU A 71 7.278 -2.865 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 71 9.928 -3.795 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.403 -1.267 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.144 -1.138 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 71 9.319 -3.020 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.546 -1.311 -7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.430 -1.503 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.531 -0.107 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.977 -1.756 -7.418 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.119 -0.581 -6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.618 -2.271 -5.839 1.00 0.00 H new ATOM 1107 N GLN A 72 9.353 -2.399 -1.217 1.00 0.00 N ATOM 1108 CA GLN A 72 9.908 -2.198 0.111 1.00 0.00 C ATOM 1109 C GLN A 72 10.154 -3.545 0.793 1.00 0.00 C ATOM 1110 O GLN A 72 11.147 -3.716 1.499 1.00 0.00 O ATOM 1111 CB GLN A 72 8.994 -1.312 0.959 1.00 0.00 C ATOM 1112 CG GLN A 72 8.301 -2.127 2.053 1.00 0.00 C ATOM 1113 CD GLN A 72 7.436 -1.230 2.941 1.00 0.00 C ATOM 1114 OE1 GLN A 72 7.611 -1.152 4.146 1.00 0.00 O ATOM 1115 NE2 GLN A 72 6.496 -0.561 2.280 1.00 0.00 N ATOM 0 H GLN A 72 8.380 -2.110 -1.321 1.00 0.00 H new ATOM 0 HA GLN A 72 10.864 -1.685 0.010 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.577 -0.510 1.412 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.245 -0.841 0.322 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.682 -2.900 1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.049 -2.635 2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.405 -0.673 1.270 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.866 0.064 2.783 1.00 0.00 H new ATOM 1124 N LEU A 73 9.232 -4.467 0.560 1.00 0.00 N ATOM 1125 CA LEU A 73 9.335 -5.794 1.143 1.00 0.00 C ATOM 1126 C LEU A 73 10.578 -6.494 0.589 1.00 0.00 C ATOM 1127 O LEU A 73 11.216 -7.280 1.289 1.00 0.00 O ATOM 1128 CB LEU A 73 8.039 -6.578 0.926 1.00 0.00 C ATOM 1129 CG LEU A 73 7.133 -6.728 2.150 1.00 0.00 C ATOM 1130 CD1 LEU A 73 7.235 -5.504 3.061 1.00 0.00 C ATOM 1131 CD2 LEU A 73 5.689 -7.013 1.732 1.00 0.00 C ATOM 0 H LEU A 73 8.409 -4.321 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 73 9.461 -5.726 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.470 -6.089 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.296 -7.574 0.565 1.00 0.00 H new ATOM 0 HG LEU A 73 7.477 -7.587 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.581 -5.637 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.264 -5.388 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.932 -4.614 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.066 -7.115 2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.318 -6.190 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.653 -7.937 1.155 1.00 0.00 H new ATOM 1143 N GLY A 74 10.884 -6.185 -0.662 1.00 0.00 N ATOM 1144 CA GLY A 74 12.038 -6.775 -1.318 1.00 0.00 C ATOM 1145 C GLY A 74 11.613 -7.876 -2.292 1.00 0.00 C ATOM 1146 O GLY A 74 12.304 -8.883 -2.436 1.00 0.00 O ATOM 0 H GLY A 74 10.352 -5.533 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.590 -6.003 -1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.714 -7.188 -0.570 1.00 0.00 H new ATOM 1150 N TYR A 75 10.477 -7.646 -2.934 1.00 0.00 N ATOM 1151 CA TYR A 75 9.951 -8.606 -3.890 1.00 0.00 C ATOM 1152 C TYR A 75 10.136 -8.109 -5.325 1.00 0.00 C ATOM 1153 O TYR A 75 9.990 -8.876 -6.275 1.00 0.00 O ATOM 1154 CB TYR A 75 8.455 -8.721 -3.592 1.00 0.00 C ATOM 1155 CG TYR A 75 8.130 -9.544 -2.343 1.00 0.00 C ATOM 1156 CD1 TYR A 75 8.639 -9.166 -1.117 1.00 0.00 C ATOM 1157 CD2 TYR A 75 7.329 -10.663 -2.443 1.00 0.00 C ATOM 1158 CE1 TYR A 75 8.334 -9.940 0.058 1.00 0.00 C ATOM 1159 CE2 TYR A 75 7.024 -11.437 -1.268 1.00 0.00 C ATOM 1160 CZ TYR A 75 7.541 -11.037 -0.075 1.00 0.00 C ATOM 1161 OH TYR A 75 7.253 -11.768 1.035 1.00 0.00 O ATOM 0 H TYR A 75 9.906 -6.809 -2.811 1.00 0.00 H new ATOM 0 HA TYR A 75 10.470 -9.560 -3.800 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.041 -7.720 -3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 75 7.958 -9.171 -4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.266 -8.290 -1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.931 -10.958 -3.403 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.726 -9.656 1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.399 -12.315 -1.332 1.00 0.00 H new ATOM 0 HH TYR A 75 6.676 -12.521 0.790 1.00 0.00 H new ATOM 1171 N LYS A 76 10.455 -6.827 -5.437 1.00 0.00 N ATOM 1172 CA LYS A 76 10.662 -6.218 -6.740 1.00 0.00 C ATOM 1173 C LYS A 76 11.849 -5.256 -6.665 1.00 0.00 C ATOM 1174 O LYS A 76 11.959 -4.337 -7.476 1.00 0.00 O ATOM 1175 CB LYS A 76 9.371 -5.565 -7.236 1.00 0.00 C ATOM 1176 CG LYS A 76 8.752 -6.372 -8.379 1.00 0.00 C ATOM 1177 CD LYS A 76 8.994 -5.690 -9.727 1.00 0.00 C ATOM 1178 CE LYS A 76 8.453 -6.540 -10.877 1.00 0.00 C ATOM 1179 NZ LYS A 76 9.383 -7.649 -11.185 1.00 0.00 N ATOM 0 H LYS A 76 10.575 -6.194 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 76 10.913 -6.977 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.659 -5.487 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.579 -4.550 -7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.179 -7.375 -8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.681 -6.484 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.513 -4.712 -9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.062 -5.521 -9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.475 -6.941 -10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.313 -5.919 -11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.000 -8.216 -11.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.308 -7.260 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.496 -8.251 -10.345 1.00 0.00 H new ATOM 1193 N ALA A 77 12.707 -5.500 -5.686 1.00 0.00 N ATOM 1194 CA ALA A 77 13.882 -4.667 -5.495 1.00 0.00 C ATOM 1195 C ALA A 77 14.948 -5.053 -6.523 1.00 0.00 C ATOM 1196 O ALA A 77 15.460 -4.197 -7.242 1.00 0.00 O ATOM 1197 CB ALA A 77 14.382 -4.810 -4.056 1.00 0.00 C ATOM 0 H ALA A 77 12.612 -6.263 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 77 13.637 -3.617 -5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.263 -4.185 -3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.599 -4.496 -3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.640 -5.851 -3.862 1.00 0.00 H new ATOM 1203 N SER A 78 15.249 -6.342 -6.560 1.00 0.00 N ATOM 1204 CA SER A 78 16.245 -6.852 -7.488 1.00 0.00 C ATOM 1205 C SER A 78 16.094 -6.165 -8.847 1.00 0.00 C ATOM 1206 O SER A 78 17.010 -5.486 -9.308 1.00 0.00 O ATOM 1207 CB SER A 78 16.126 -8.369 -7.645 1.00 0.00 C ATOM 1208 OG SER A 78 17.201 -9.057 -7.011 1.00 0.00 O ATOM 0 H SER A 78 14.821 -7.049 -5.963 1.00 0.00 H new ATOM 0 HA SER A 78 17.233 -6.632 -7.084 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.180 -8.704 -7.220 1.00 0.00 H new ATOM 0 HB3 SER A 78 16.107 -8.624 -8.705 1.00 0.00 H new ATOM 0 HG SER A 78 17.088 -10.023 -7.132 1.00 0.00 H new ATOM 1214 N THR A 79 14.931 -6.365 -9.450 1.00 0.00 N ATOM 1215 CA THR A 79 14.649 -5.773 -10.746 1.00 0.00 C ATOM 1216 C THR A 79 14.805 -4.252 -10.683 1.00 0.00 C ATOM 1217 O THR A 79 15.522 -3.664 -11.492 1.00 0.00 O ATOM 1218 CB THR A 79 13.251 -6.222 -11.177 1.00 0.00 C ATOM 1219 OG1 THR A 79 13.386 -7.626 -11.383 1.00 0.00 O ATOM 1220 CG2 THR A 79 12.859 -5.679 -12.552 1.00 0.00 C ATOM 0 H THR A 79 14.173 -6.929 -9.065 1.00 0.00 H new ATOM 0 HA THR A 79 15.362 -6.111 -11.498 1.00 0.00 H new ATOM 0 HB THR A 79 12.521 -5.895 -10.437 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.525 -8.000 -11.663 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.859 -6.028 -12.809 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.869 -4.589 -12.529 1.00 0.00 H new ATOM 0 HG23 THR A 79 13.570 -6.033 -13.299 1.00 0.00 H new ATOM 1228 N SER A 80 14.122 -3.658 -9.716 1.00 0.00 N ATOM 1229 CA SER A 80 14.177 -2.217 -9.537 1.00 0.00 C ATOM 1230 C SER A 80 15.611 -1.720 -9.729 1.00 0.00 C ATOM 1231 O SER A 80 15.890 -0.965 -10.659 1.00 0.00 O ATOM 1232 CB SER A 80 13.656 -1.814 -8.156 1.00 0.00 C ATOM 1233 OG SER A 80 13.561 -0.399 -8.014 1.00 0.00 O ATOM 0 H SER A 80 13.527 -4.148 -9.048 1.00 0.00 H new ATOM 0 HA SER A 80 13.536 -1.754 -10.287 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.675 -2.261 -7.994 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.319 -2.212 -7.388 1.00 0.00 H new ATOM 0 HG SER A 80 13.223 -0.182 -7.120 1.00 0.00 H new ATOM 1239 N LEU A 81 16.482 -2.163 -8.835 1.00 0.00 N ATOM 1240 CA LEU A 81 17.880 -1.772 -8.895 1.00 0.00 C ATOM 1241 C LEU A 81 18.396 -1.958 -10.323 1.00 0.00 C ATOM 1242 O LEU A 81 18.781 -0.991 -10.978 1.00 0.00 O ATOM 1243 CB LEU A 81 18.694 -2.530 -7.843 1.00 0.00 C ATOM 1244 CG LEU A 81 19.878 -1.773 -7.238 1.00 0.00 C ATOM 1245 CD1 LEU A 81 19.908 -1.929 -5.716 1.00 0.00 C ATOM 1246 CD2 LEU A 81 21.194 -2.207 -7.885 1.00 0.00 C ATOM 0 H LEU A 81 16.247 -2.789 -8.065 1.00 0.00 H new ATOM 0 HA LEU A 81 17.991 -0.716 -8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 81 18.024 -2.822 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 81 19.068 -3.449 -8.294 1.00 0.00 H new ATOM 0 HG LEU A 81 19.750 -0.712 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 81 20.759 -1.381 -5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 81 18.986 -1.532 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.001 -2.985 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.019 -1.654 -7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 81 21.343 -3.275 -7.725 1.00 0.00 H new ATOM 0 HD23 LEU A 81 21.158 -2.002 -8.955 1.00 0.00 H new ATOM 1258 N GLN A 82 18.389 -3.207 -10.763 1.00 0.00 N ATOM 1259 CA GLN A 82 18.852 -3.532 -12.102 1.00 0.00 C ATOM 1260 C GLN A 82 18.384 -2.469 -13.097 1.00 0.00 C ATOM 1261 O GLN A 82 19.203 -1.798 -13.725 1.00 0.00 O ATOM 1262 CB GLN A 82 18.377 -4.924 -12.523 1.00 0.00 C ATOM 1263 CG GLN A 82 19.480 -5.965 -12.319 1.00 0.00 C ATOM 1264 CD GLN A 82 18.901 -7.380 -12.293 1.00 0.00 C ATOM 1265 OE1 GLN A 82 17.699 -7.588 -12.331 1.00 0.00 O ATOM 1266 NE2 GLN A 82 19.820 -8.340 -12.225 1.00 0.00 N ATOM 0 H GLN A 82 18.070 -4.007 -10.216 1.00 0.00 H new ATOM 0 HA GLN A 82 19.942 -3.542 -12.097 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.497 -5.203 -11.943 1.00 0.00 H new ATOM 0 HB3 GLN A 82 18.076 -4.908 -13.571 1.00 0.00 H new ATOM 0 HG2 GLN A 82 20.214 -5.884 -13.120 1.00 0.00 H new ATOM 0 HG3 GLN A 82 20.005 -5.766 -11.385 1.00 0.00 H new ATOM 0 HE21 GLN A 82 20.810 -8.097 -12.196 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.534 -9.319 -12.202 1.00 0.00 H new ATOM 1275 N ASP A 83 17.070 -2.348 -13.211 1.00 0.00 N ATOM 1276 CA ASP A 83 16.484 -1.377 -14.120 1.00 0.00 C ATOM 1277 C ASP A 83 17.284 -0.075 -14.054 1.00 0.00 C ATOM 1278 O ASP A 83 17.780 0.405 -15.072 1.00 0.00 O ATOM 1279 CB ASP A 83 15.037 -1.064 -13.733 1.00 0.00 C ATOM 1280 CG ASP A 83 14.373 0.042 -14.556 1.00 0.00 C ATOM 1281 OD1 ASP A 83 14.518 1.216 -14.152 1.00 0.00 O ATOM 1282 OD2 ASP A 83 13.734 -0.312 -15.571 1.00 0.00 O ATOM 0 H ASP A 83 16.394 -2.906 -12.689 1.00 0.00 H new ATOM 0 HA ASP A 83 16.505 -1.800 -15.125 1.00 0.00 H new ATOM 0 HB2 ASP A 83 14.445 -1.974 -13.831 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.011 -0.779 -12.681 1.00 0.00 H new ATOM 1287 N SER A 84 17.384 0.460 -12.846 1.00 0.00 N ATOM 1288 CA SER A 84 18.115 1.697 -12.633 1.00 0.00 C ATOM 1289 C SER A 84 19.526 1.578 -13.214 1.00 0.00 C ATOM 1290 O SER A 84 19.968 2.448 -13.963 1.00 0.00 O ATOM 1291 CB SER A 84 18.181 2.050 -11.146 1.00 0.00 C ATOM 1292 OG SER A 84 17.614 3.328 -10.874 1.00 0.00 O ATOM 0 H SER A 84 16.971 0.059 -12.004 1.00 0.00 H new ATOM 0 HA SER A 84 17.584 2.500 -13.145 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.654 1.290 -10.569 1.00 0.00 H new ATOM 0 HB3 SER A 84 19.220 2.037 -10.816 1.00 0.00 H new ATOM 0 HG SER A 84 17.674 3.515 -9.914 1.00 0.00 H new ATOM 1298 N GLY A 85 20.192 0.494 -12.847 1.00 0.00 N ATOM 1299 CA GLY A 85 21.543 0.249 -13.322 1.00 0.00 C ATOM 1300 C GLY A 85 21.806 -1.250 -13.482 1.00 0.00 C ATOM 1301 O GLY A 85 22.126 -1.934 -12.511 1.00 0.00 O ATOM 0 H GLY A 85 19.821 -0.225 -12.226 1.00 0.00 H new ATOM 0 HA2 GLY A 85 21.693 0.752 -14.277 1.00 0.00 H new ATOM 0 HA3 GLY A 85 22.261 0.675 -12.621 1.00 0.00 H new ATOM 1305 N PRO A 86 21.657 -1.728 -14.746 1.00 0.00 N ATOM 1306 CA PRO A 86 21.874 -3.133 -15.045 1.00 0.00 C ATOM 1307 C PRO A 86 23.367 -3.466 -15.058 1.00 0.00 C ATOM 1308 O PRO A 86 23.817 -4.345 -14.325 1.00 0.00 O ATOM 1309 CB PRO A 86 21.203 -3.357 -16.391 1.00 0.00 C ATOM 1310 CG PRO A 86 21.041 -1.979 -17.010 1.00 0.00 C ATOM 1311 CD PRO A 86 21.278 -0.947 -15.920 1.00 0.00 C ATOM 0 HA PRO A 86 21.451 -3.795 -14.289 1.00 0.00 H new ATOM 0 HB2 PRO A 86 21.809 -4.002 -17.027 1.00 0.00 H new ATOM 0 HB3 PRO A 86 20.237 -3.846 -16.269 1.00 0.00 H new ATOM 0 HG2 PRO A 86 21.750 -1.842 -17.826 1.00 0.00 H new ATOM 0 HG3 PRO A 86 20.043 -1.865 -17.433 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.065 -0.248 -16.201 1.00 0.00 H new ATOM 0 HD3 PRO A 86 20.381 -0.358 -15.731 1.00 0.00 H new ATOM 1319 N SER A 87 24.094 -2.747 -15.900 1.00 0.00 N ATOM 1320 CA SER A 87 25.527 -2.955 -16.019 1.00 0.00 C ATOM 1321 C SER A 87 25.834 -4.452 -16.097 1.00 0.00 C ATOM 1322 O SER A 87 26.205 -5.066 -15.099 1.00 0.00 O ATOM 1323 CB SER A 87 26.275 -2.321 -14.844 1.00 0.00 C ATOM 1324 OG SER A 87 27.618 -2.789 -14.751 1.00 0.00 O ATOM 0 H SER A 87 23.717 -2.019 -16.507 1.00 0.00 H new ATOM 0 HA SER A 87 25.868 -2.472 -16.935 1.00 0.00 H new ATOM 0 HB2 SER A 87 26.276 -1.237 -14.957 1.00 0.00 H new ATOM 0 HB3 SER A 87 25.748 -2.544 -13.916 1.00 0.00 H new ATOM 0 HG SER A 87 28.062 -2.360 -13.990 1.00 0.00 H new ATOM 1330 N SER A 88 25.668 -4.995 -17.294 1.00 0.00 N ATOM 1331 CA SER A 88 25.922 -6.408 -17.516 1.00 0.00 C ATOM 1332 C SER A 88 27.151 -6.585 -18.410 1.00 0.00 C ATOM 1333 O SER A 88 27.273 -5.926 -19.441 1.00 0.00 O ATOM 1334 CB SER A 88 24.707 -7.095 -18.144 1.00 0.00 C ATOM 1335 OG SER A 88 23.783 -7.550 -17.159 1.00 0.00 O ATOM 0 H SER A 88 25.361 -4.482 -18.120 1.00 0.00 H new ATOM 0 HA SER A 88 26.112 -6.876 -16.550 1.00 0.00 H new ATOM 0 HB2 SER A 88 24.206 -6.400 -18.818 1.00 0.00 H new ATOM 0 HB3 SER A 88 25.040 -7.940 -18.747 1.00 0.00 H new ATOM 0 HG SER A 88 23.021 -7.981 -17.600 1.00 0.00 H new ATOM 1341 N GLY A 89 28.031 -7.478 -17.981 1.00 0.00 N ATOM 1342 CA GLY A 89 29.247 -7.749 -18.730 1.00 0.00 C ATOM 1343 C GLY A 89 30.288 -8.445 -17.851 1.00 0.00 C ATOM 1344 O GLY A 89 30.028 -9.516 -17.304 1.00 0.00 O ATOM 0 H GLY A 89 27.927 -8.023 -17.125 1.00 0.00 H new ATOM 0 HA2 GLY A 89 29.016 -8.375 -19.592 1.00 0.00 H new ATOM 0 HA3 GLY A 89 29.657 -6.815 -19.115 1.00 0.00 H new TER 1348 GLY A 89