USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 837 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 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 88 TYR OH : rot -38:sc= -0.267 USER MOD Set 2.1: A 41 CYS SG : rot 17:sc= -0.189 USER MOD Set 2.2: A 90 CYS SG : rot 93:sc= 0.197 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0663 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -127:sc= -0.411 (180deg=-1.73!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0635 K(o=-0.064,f=-1.9!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 130:sc= 0.4 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 57 THR OG1 : rot -82:sc= 0.28 USER MOD Single : A 64 HIS : no HD1:sc= -0.441 K(o=-0.44,f=-1.3) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.137 X(o=0.14,f=-0.09) USER MOD Single : A 73 CYS SG : rot 120:sc= -0.436 USER MOD Single : A 76 GLN : amide:sc=-0.00732 K(o=-0.0073,f=-2.8!) USER MOD Single : A 91 MET CE :methyl 169:sc= -0.354 (180deg=-0.574) USER MOD Single : A 92 CYS SG : rot 49:sc= -0.66 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 140:sc= 0.104 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -169:sc= -0.264 (180deg=-0.395) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 39:sc= 0.74 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.136 42.986 -24.912 1.00 0.00 N ATOM 2 CA GLY A 1 10.364 43.144 -26.130 1.00 0.00 C ATOM 3 C GLY A 1 10.453 41.931 -27.034 1.00 0.00 C ATOM 4 O GLY A 1 9.654 41.001 -26.918 1.00 0.00 O ATOM 0 H1 GLY A 1 11.043 43.842 -24.328 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.783 42.164 -24.381 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.137 42.838 -25.152 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.320 43.327 -25.874 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.718 44.022 -26.670 1.00 0.00 H new ATOM 8 N SER A 2 11.426 41.940 -27.940 1.00 0.00 N ATOM 9 CA SER A 2 11.613 40.834 -28.872 1.00 0.00 C ATOM 10 C SER A 2 13.058 40.344 -28.851 1.00 0.00 C ATOM 11 O SER A 2 13.604 39.943 -29.878 1.00 0.00 O ATOM 12 CB SER A 2 11.229 41.263 -30.289 1.00 0.00 C ATOM 13 OG SER A 2 11.719 42.560 -30.580 1.00 0.00 O ATOM 0 H SER A 2 12.097 42.701 -28.048 1.00 0.00 H new ATOM 0 HA SER A 2 10.965 40.015 -28.560 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.629 40.550 -31.009 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.144 41.248 -30.395 1.00 0.00 H new ATOM 0 HG SER A 2 11.462 42.810 -31.492 1.00 0.00 H new ATOM 19 N SER A 3 13.671 40.380 -27.672 1.00 0.00 N ATOM 20 CA SER A 3 15.054 39.944 -27.516 1.00 0.00 C ATOM 21 C SER A 3 15.456 39.928 -26.045 1.00 0.00 C ATOM 22 O SER A 3 15.296 40.920 -25.335 1.00 0.00 O ATOM 23 CB SER A 3 15.992 40.862 -28.303 1.00 0.00 C ATOM 24 OG SER A 3 16.740 40.129 -29.257 1.00 0.00 O ATOM 0 H SER A 3 13.232 40.706 -26.811 1.00 0.00 H new ATOM 0 HA SER A 3 15.136 38.930 -27.908 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.411 41.635 -28.807 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.670 41.369 -27.617 1.00 0.00 H new ATOM 0 HG SER A 3 17.330 40.738 -29.748 1.00 0.00 H new ATOM 30 N GLY A 4 15.979 38.792 -25.593 1.00 0.00 N ATOM 31 CA GLY A 4 16.396 38.666 -24.208 1.00 0.00 C ATOM 32 C GLY A 4 16.654 37.227 -23.809 1.00 0.00 C ATOM 33 O GLY A 4 15.720 36.439 -23.663 1.00 0.00 O ATOM 0 H GLY A 4 16.121 37.957 -26.161 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.302 39.252 -24.050 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.627 39.087 -23.560 1.00 0.00 H new ATOM 37 N SER A 5 17.926 36.882 -23.634 1.00 0.00 N ATOM 38 CA SER A 5 18.305 35.526 -23.255 1.00 0.00 C ATOM 39 C SER A 5 19.512 35.541 -22.322 1.00 0.00 C ATOM 40 O SER A 5 20.564 36.084 -22.658 1.00 0.00 O ATOM 41 CB SER A 5 18.618 34.695 -24.500 1.00 0.00 C ATOM 42 OG SER A 5 17.652 34.911 -25.514 1.00 0.00 O ATOM 0 H SER A 5 18.711 37.523 -23.749 1.00 0.00 H new ATOM 0 HA SER A 5 17.465 35.074 -22.727 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.608 34.955 -24.875 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.644 33.637 -24.238 1.00 0.00 H new ATOM 0 HG SER A 5 17.876 34.370 -26.300 1.00 0.00 H new ATOM 48 N SER A 6 19.352 34.939 -21.147 1.00 0.00 N ATOM 49 CA SER A 6 20.426 34.885 -20.163 1.00 0.00 C ATOM 50 C SER A 6 20.354 33.596 -19.351 1.00 0.00 C ATOM 51 O SER A 6 19.275 33.049 -19.127 1.00 0.00 O ATOM 52 CB SER A 6 20.352 36.095 -19.229 1.00 0.00 C ATOM 53 OG SER A 6 21.638 36.449 -18.750 1.00 0.00 O ATOM 0 H SER A 6 18.488 34.482 -20.854 1.00 0.00 H new ATOM 0 HA SER A 6 21.376 34.905 -20.697 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.912 36.940 -19.758 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.697 35.869 -18.388 1.00 0.00 H new ATOM 0 HG SER A 6 21.564 37.226 -18.157 1.00 0.00 H new ATOM 59 N GLY A 7 21.514 33.115 -18.911 1.00 0.00 N ATOM 60 CA GLY A 7 21.562 31.894 -18.129 1.00 0.00 C ATOM 61 C GLY A 7 21.504 32.159 -16.637 1.00 0.00 C ATOM 62 O GLY A 7 22.486 32.600 -16.040 1.00 0.00 O ATOM 0 H GLY A 7 22.421 33.550 -19.083 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.729 31.251 -18.413 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.478 31.352 -18.363 1.00 0.00 H new ATOM 66 N ARG A 8 20.351 31.890 -16.035 1.00 0.00 N ATOM 67 CA ARG A 8 20.168 32.105 -14.604 1.00 0.00 C ATOM 68 C ARG A 8 19.325 30.991 -13.991 1.00 0.00 C ATOM 69 O ARG A 8 18.628 30.262 -14.698 1.00 0.00 O ATOM 70 CB ARG A 8 19.505 33.460 -14.350 1.00 0.00 C ATOM 71 CG ARG A 8 18.033 33.498 -14.729 1.00 0.00 C ATOM 72 CD ARG A 8 17.714 34.703 -15.600 1.00 0.00 C ATOM 73 NE ARG A 8 17.849 35.959 -14.868 1.00 0.00 N ATOM 74 CZ ARG A 8 17.982 37.142 -15.457 1.00 0.00 C ATOM 75 NH1 ARG A 8 17.998 37.230 -16.779 1.00 0.00 N ATOM 76 NH2 ARG A 8 18.100 38.241 -14.722 1.00 0.00 N ATOM 0 H ARG A 8 19.529 31.523 -16.515 1.00 0.00 H new ATOM 0 HA ARG A 8 21.151 32.096 -14.132 1.00 0.00 H new ATOM 0 HB2 ARG A 8 19.606 33.713 -13.295 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.037 34.227 -14.914 1.00 0.00 H new ATOM 0 HG2 ARG A 8 17.769 32.583 -15.260 1.00 0.00 H new ATOM 0 HG3 ARG A 8 17.424 33.529 -13.826 1.00 0.00 H new ATOM 0 HD2 ARG A 8 18.380 34.713 -16.463 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.697 34.614 -15.983 1.00 0.00 H new ATOM 0 HE ARG A 8 17.841 35.926 -13.849 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.908 36.388 -17.347 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.100 38.140 -17.228 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.089 38.177 -13.704 1.00 0.00 H new ATOM 0 HH22 ARG A 8 18.202 39.149 -15.175 1.00 0.00 H new ATOM 90 N THR A 9 19.393 30.863 -12.669 1.00 0.00 N ATOM 91 CA THR A 9 18.637 29.838 -11.960 1.00 0.00 C ATOM 92 C THR A 9 17.172 30.234 -11.818 1.00 0.00 C ATOM 93 O THR A 9 16.836 31.149 -11.066 1.00 0.00 O ATOM 94 CB THR A 9 19.224 29.575 -10.560 1.00 0.00 C ATOM 95 OG1 THR A 9 20.502 30.210 -10.438 1.00 0.00 O ATOM 96 CG2 THR A 9 19.367 28.082 -10.305 1.00 0.00 C ATOM 0 H THR A 9 19.964 31.457 -12.068 1.00 0.00 H new ATOM 0 HA THR A 9 18.708 28.926 -12.553 1.00 0.00 H new ATOM 0 HB THR A 9 18.540 29.990 -9.819 1.00 0.00 H new ATOM 0 HG1 THR A 9 20.868 30.040 -9.545 1.00 0.00 H new ATOM 0 HG21 THR A 9 19.783 27.921 -9.311 1.00 0.00 H new ATOM 0 HG22 THR A 9 18.388 27.606 -10.370 1.00 0.00 H new ATOM 0 HG23 THR A 9 20.032 27.647 -11.051 1.00 0.00 H new ATOM 104 N SER A 10 16.303 29.539 -12.545 1.00 0.00 N ATOM 105 CA SER A 10 14.873 29.821 -12.502 1.00 0.00 C ATOM 106 C SER A 10 14.128 28.733 -11.734 1.00 0.00 C ATOM 107 O SER A 10 14.174 27.559 -12.098 1.00 0.00 O ATOM 108 CB SER A 10 14.311 29.934 -13.921 1.00 0.00 C ATOM 109 OG SER A 10 13.144 30.738 -13.944 1.00 0.00 O ATOM 0 H SER A 10 16.564 28.777 -13.171 1.00 0.00 H new ATOM 0 HA SER A 10 14.730 30.770 -11.985 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.065 30.363 -14.581 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.080 28.940 -14.304 1.00 0.00 H new ATOM 0 HG SER A 10 12.805 30.796 -14.862 1.00 0.00 H new ATOM 115 N ALA A 11 13.442 29.135 -10.669 1.00 0.00 N ATOM 116 CA ALA A 11 12.686 28.196 -9.849 1.00 0.00 C ATOM 117 C ALA A 11 11.363 28.805 -9.396 1.00 0.00 C ATOM 118 O ALA A 11 11.025 29.927 -9.773 1.00 0.00 O ATOM 119 CB ALA A 11 13.509 27.763 -8.646 1.00 0.00 C ATOM 0 H ALA A 11 13.394 30.104 -10.354 1.00 0.00 H new ATOM 0 HA ALA A 11 12.464 27.319 -10.457 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.931 27.062 -8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.425 27.280 -8.987 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.762 28.636 -8.045 1.00 0.00 H new ATOM 125 N MET A 12 10.620 28.059 -8.586 1.00 0.00 N ATOM 126 CA MET A 12 9.334 28.527 -8.081 1.00 0.00 C ATOM 127 C MET A 12 9.516 29.736 -7.169 1.00 0.00 C ATOM 128 O MET A 12 10.522 29.852 -6.468 1.00 0.00 O ATOM 129 CB MET A 12 8.621 27.405 -7.324 1.00 0.00 C ATOM 130 CG MET A 12 7.930 26.402 -8.233 1.00 0.00 C ATOM 131 SD MET A 12 6.382 27.031 -8.912 1.00 0.00 S ATOM 132 CE MET A 12 6.920 27.579 -10.530 1.00 0.00 C ATOM 0 H MET A 12 10.886 27.128 -8.265 1.00 0.00 H new ATOM 0 HA MET A 12 8.723 28.826 -8.933 1.00 0.00 H new ATOM 0 HB2 MET A 12 9.346 26.880 -6.702 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.883 27.843 -6.652 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.600 26.137 -9.051 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.732 25.487 -7.674 1.00 0.00 H new ATOM 0 HE1 MET A 12 6.620 28.616 -10.681 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.005 27.501 -10.598 1.00 0.00 H new ATOM 0 HE3 MET A 12 6.463 26.954 -11.297 1.00 0.00 H new ATOM 142 N LEU A 13 8.538 30.635 -7.184 1.00 0.00 N ATOM 143 CA LEU A 13 8.590 31.836 -6.358 1.00 0.00 C ATOM 144 C LEU A 13 7.551 31.776 -5.243 1.00 0.00 C ATOM 145 O LEU A 13 6.450 31.257 -5.432 1.00 0.00 O ATOM 146 CB LEU A 13 8.360 33.080 -7.218 1.00 0.00 C ATOM 147 CG LEU A 13 9.443 34.157 -7.143 1.00 0.00 C ATOM 148 CD1 LEU A 13 10.444 33.987 -8.275 1.00 0.00 C ATOM 149 CD2 LEU A 13 8.820 35.544 -7.184 1.00 0.00 C ATOM 0 H LEU A 13 7.699 30.555 -7.759 1.00 0.00 H new ATOM 0 HA LEU A 13 9.580 31.893 -5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.260 32.766 -8.257 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.410 33.528 -6.927 1.00 0.00 H new ATOM 0 HG LEU A 13 9.973 34.047 -6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.207 34.762 -8.205 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.915 33.007 -8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.929 34.070 -9.232 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.606 36.298 -7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.264 35.666 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.143 35.664 -6.338 1.00 0.00 H new ATOM 161 N THR A 14 7.907 32.312 -4.079 1.00 0.00 N ATOM 162 CA THR A 14 7.006 32.320 -2.934 1.00 0.00 C ATOM 163 C THR A 14 6.528 30.911 -2.600 1.00 0.00 C ATOM 164 O THR A 14 6.969 29.935 -3.207 1.00 0.00 O ATOM 165 CB THR A 14 5.781 33.218 -3.190 1.00 0.00 C ATOM 166 OG1 THR A 14 5.942 33.927 -4.423 1.00 0.00 O ATOM 167 CG2 THR A 14 5.589 34.209 -2.051 1.00 0.00 C ATOM 0 H THR A 14 8.813 32.746 -3.905 1.00 0.00 H new ATOM 0 HA THR A 14 7.570 32.719 -2.091 1.00 0.00 H new ATOM 0 HB THR A 14 4.898 32.582 -3.250 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.158 34.494 -4.579 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.718 34.832 -2.254 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.437 33.666 -1.118 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.474 34.839 -1.964 1.00 0.00 H new ATOM 175 N VAL A 15 5.624 30.813 -1.631 1.00 0.00 N ATOM 176 CA VAL A 15 5.085 29.523 -1.217 1.00 0.00 C ATOM 177 C VAL A 15 3.560 29.529 -1.246 1.00 0.00 C ATOM 178 O VAL A 15 2.922 30.422 -0.688 1.00 0.00 O ATOM 179 CB VAL A 15 5.558 29.145 0.199 1.00 0.00 C ATOM 180 CG1 VAL A 15 5.134 30.204 1.205 1.00 0.00 C ATOM 181 CG2 VAL A 15 5.019 27.778 0.593 1.00 0.00 C ATOM 0 H VAL A 15 5.249 31.611 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 15 5.457 28.783 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 15 6.647 29.095 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.477 29.919 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.573 31.163 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.047 30.290 1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.363 27.527 1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.929 27.798 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.378 27.028 -0.112 1.00 0.00 H new ATOM 191 N ARG A 16 2.982 28.528 -1.901 1.00 0.00 N ATOM 192 CA ARG A 16 1.532 28.418 -2.004 1.00 0.00 C ATOM 193 C ARG A 16 1.069 27.001 -1.678 1.00 0.00 C ATOM 194 O ARG A 16 1.806 26.036 -1.875 1.00 0.00 O ATOM 195 CB ARG A 16 1.069 28.807 -3.409 1.00 0.00 C ATOM 196 CG ARG A 16 1.085 30.305 -3.663 1.00 0.00 C ATOM 197 CD ARG A 16 -0.032 31.010 -2.910 1.00 0.00 C ATOM 198 NE ARG A 16 -1.347 30.476 -3.255 1.00 0.00 N ATOM 199 CZ ARG A 16 -2.479 30.896 -2.703 1.00 0.00 C ATOM 200 NH1 ARG A 16 -2.457 31.852 -1.784 1.00 0.00 N ATOM 201 NH2 ARG A 16 -3.637 30.361 -3.070 1.00 0.00 N ATOM 0 H ARG A 16 3.496 27.781 -2.369 1.00 0.00 H new ATOM 0 HA ARG A 16 1.088 29.102 -1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.709 28.316 -4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.058 28.431 -3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.047 30.717 -3.358 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.981 30.495 -4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.132 30.905 -1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.004 32.076 -3.134 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.398 29.740 -3.959 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.569 32.266 -1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.328 32.173 -1.361 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.658 29.626 -3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.506 30.685 -2.645 1.00 0.00 H new ATOM 215 N ALA A 17 -0.156 26.885 -1.176 1.00 0.00 N ATOM 216 CA ALA A 17 -0.717 25.587 -0.824 1.00 0.00 C ATOM 217 C ALA A 17 -1.549 25.019 -1.969 1.00 0.00 C ATOM 218 O ALA A 17 -2.698 25.414 -2.171 1.00 0.00 O ATOM 219 CB ALA A 17 -1.562 25.702 0.437 1.00 0.00 C ATOM 0 H ALA A 17 -0.779 27.674 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 17 0.109 24.902 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.975 24.725 0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.941 26.056 1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.376 26.407 0.267 1.00 0.00 H new ATOM 225 N LEU A 18 -0.961 24.092 -2.717 1.00 0.00 N ATOM 226 CA LEU A 18 -1.647 23.469 -3.844 1.00 0.00 C ATOM 227 C LEU A 18 -2.106 22.058 -3.490 1.00 0.00 C ATOM 228 O LEU A 18 -1.613 21.436 -2.549 1.00 0.00 O ATOM 229 CB LEU A 18 -0.729 23.427 -5.066 1.00 0.00 C ATOM 230 CG LEU A 18 -0.820 24.622 -6.016 1.00 0.00 C ATOM 231 CD1 LEU A 18 0.327 25.589 -5.769 1.00 0.00 C ATOM 232 CD2 LEU A 18 -0.823 24.153 -7.463 1.00 0.00 C ATOM 0 H LEU A 18 -0.011 23.755 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.526 24.069 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.301 23.342 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.951 22.522 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.756 25.145 -5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.245 26.433 -6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.283 25.950 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.276 25.078 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.888 25.016 -8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.097 23.606 -7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.680 23.500 -7.632 1.00 0.00 H new ATOM 244 N PRO A 19 -3.073 21.539 -4.261 1.00 0.00 N ATOM 245 CA PRO A 19 -3.618 20.195 -4.050 1.00 0.00 C ATOM 246 C PRO A 19 -2.615 19.101 -4.401 1.00 0.00 C ATOM 247 O PRO A 19 -1.807 19.258 -5.317 1.00 0.00 O ATOM 248 CB PRO A 19 -4.817 20.145 -5.000 1.00 0.00 C ATOM 249 CG PRO A 19 -4.496 21.132 -6.069 1.00 0.00 C ATOM 250 CD PRO A 19 -3.708 22.225 -5.400 1.00 0.00 C ATOM 0 HA PRO A 19 -3.876 20.020 -3.006 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.954 19.145 -5.412 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.741 20.406 -4.485 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.918 20.668 -6.868 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.406 21.527 -6.521 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.967 22.656 -6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.352 23.040 -5.070 1.00 0.00 H new ATOM 258 N ILE A 20 -2.673 17.995 -3.668 1.00 0.00 N ATOM 259 CA ILE A 20 -1.770 16.875 -3.903 1.00 0.00 C ATOM 260 C ILE A 20 -2.407 15.840 -4.825 1.00 0.00 C ATOM 261 O ILE A 20 -3.502 15.345 -4.558 1.00 0.00 O ATOM 262 CB ILE A 20 -1.366 16.191 -2.584 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.715 17.203 -1.639 1.00 0.00 C ATOM 264 CG2 ILE A 20 -0.421 15.030 -2.857 1.00 0.00 C ATOM 265 CD1 ILE A 20 -0.329 16.616 -0.299 1.00 0.00 C ATOM 0 H ILE A 20 -3.336 17.850 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.878 17.283 -4.379 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.263 15.799 -2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.174 17.614 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.403 18.033 -1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.144 14.557 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.916 14.301 -3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.476 15.400 -3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.127 17.389 0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.219 16.230 0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.383 15.805 -0.449 1.00 0.00 H new ATOM 277 N LYS A 21 -1.713 15.516 -5.910 1.00 0.00 N ATOM 278 CA LYS A 21 -2.207 14.537 -6.871 1.00 0.00 C ATOM 279 C LYS A 21 -1.178 13.436 -7.105 1.00 0.00 C ATOM 280 O LYS A 21 -0.106 13.436 -6.500 1.00 0.00 O ATOM 281 CB LYS A 21 -2.548 15.221 -8.197 1.00 0.00 C ATOM 282 CG LYS A 21 -1.350 15.859 -8.878 1.00 0.00 C ATOM 283 CD LYS A 21 -1.632 16.154 -10.342 1.00 0.00 C ATOM 284 CE LYS A 21 -0.615 17.125 -10.921 1.00 0.00 C ATOM 285 NZ LYS A 21 -0.527 17.019 -12.403 1.00 0.00 N ATOM 0 H LYS A 21 -0.806 15.917 -6.146 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.109 14.085 -6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.991 14.488 -8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.303 15.986 -8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.088 16.784 -8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.489 15.195 -8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.614 15.225 -10.911 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.634 16.571 -10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.888 18.144 -10.646 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.364 16.928 -10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.177 17.697 -12.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.242 16.054 -12.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.455 17.232 -12.822 1.00 0.00 H new ATOM 299 N PHE A 22 -1.510 12.500 -7.988 1.00 0.00 N ATOM 300 CA PHE A 22 -0.614 11.393 -8.302 1.00 0.00 C ATOM 301 C PHE A 22 0.013 11.576 -9.681 1.00 0.00 C ATOM 302 O PHE A 22 -0.688 11.661 -10.689 1.00 0.00 O ATOM 303 CB PHE A 22 -1.371 10.064 -8.245 1.00 0.00 C ATOM 304 CG PHE A 22 -1.407 9.453 -6.874 1.00 0.00 C ATOM 305 CD1 PHE A 22 -2.317 9.897 -5.927 1.00 0.00 C ATOM 306 CD2 PHE A 22 -0.532 8.435 -6.531 1.00 0.00 C ATOM 307 CE1 PHE A 22 -2.352 9.336 -4.664 1.00 0.00 C ATOM 308 CE2 PHE A 22 -0.563 7.870 -5.270 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.475 8.321 -4.336 1.00 0.00 C ATOM 0 H PHE A 22 -2.393 12.486 -8.499 1.00 0.00 H new ATOM 0 HA PHE A 22 0.183 11.381 -7.559 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.393 10.222 -8.591 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.906 9.360 -8.936 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.006 10.690 -6.179 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.183 8.079 -7.258 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.065 9.691 -3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.125 7.077 -5.015 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.502 7.880 -3.350 1.00 0.00 H new ATOM 319 N THR A 23 1.341 11.636 -9.717 1.00 0.00 N ATOM 320 CA THR A 23 2.064 11.810 -10.971 1.00 0.00 C ATOM 321 C THR A 23 2.268 10.475 -11.678 1.00 0.00 C ATOM 322 O THR A 23 2.286 10.410 -12.906 1.00 0.00 O ATOM 323 CB THR A 23 3.436 12.471 -10.740 1.00 0.00 C ATOM 324 OG1 THR A 23 4.322 11.549 -10.095 1.00 0.00 O ATOM 325 CG2 THR A 23 3.296 13.726 -9.892 1.00 0.00 C ATOM 0 H THR A 23 1.937 11.567 -8.892 1.00 0.00 H new ATOM 0 HA THR A 23 1.456 12.461 -11.599 1.00 0.00 H new ATOM 0 HB THR A 23 3.848 12.751 -11.710 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.192 11.976 -9.953 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.278 14.175 -9.742 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.645 14.438 -10.400 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.865 13.466 -8.925 1.00 0.00 H new ATOM 333 N GLU A 24 2.422 9.413 -10.894 1.00 0.00 N ATOM 334 CA GLU A 24 2.625 8.079 -11.447 1.00 0.00 C ATOM 335 C GLU A 24 1.896 7.028 -10.615 1.00 0.00 C ATOM 336 O GLU A 24 2.498 6.357 -9.777 1.00 0.00 O ATOM 337 CB GLU A 24 4.118 7.750 -11.509 1.00 0.00 C ATOM 338 CG GLU A 24 4.761 8.090 -12.844 1.00 0.00 C ATOM 339 CD GLU A 24 6.174 7.554 -12.964 1.00 0.00 C ATOM 340 OE1 GLU A 24 6.523 6.626 -12.203 1.00 0.00 O ATOM 341 OE2 GLU A 24 6.931 8.061 -13.817 1.00 0.00 O ATOM 0 H GLU A 24 2.410 9.450 -9.875 1.00 0.00 H new ATOM 0 HA GLU A 24 2.215 8.066 -12.457 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.634 8.293 -10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.256 6.687 -11.309 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.152 7.682 -13.651 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.775 9.172 -12.971 1.00 0.00 H new ATOM 348 N GLY A 25 0.595 6.891 -10.852 1.00 0.00 N ATOM 349 CA GLY A 25 -0.196 5.921 -10.117 1.00 0.00 C ATOM 350 C GLY A 25 0.365 4.517 -10.223 1.00 0.00 C ATOM 351 O GLY A 25 1.255 4.255 -11.033 1.00 0.00 O ATOM 0 H GLY A 25 0.074 7.435 -11.540 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.241 6.213 -9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.219 5.930 -10.494 1.00 0.00 H new ATOM 355 N LEU A 26 -0.155 3.611 -9.402 1.00 0.00 N ATOM 356 CA LEU A 26 0.300 2.225 -9.406 1.00 0.00 C ATOM 357 C LEU A 26 0.005 1.558 -10.746 1.00 0.00 C ATOM 358 O LEU A 26 -0.844 2.022 -11.507 1.00 0.00 O ATOM 359 CB LEU A 26 -0.373 1.443 -8.276 1.00 0.00 C ATOM 360 CG LEU A 26 0.106 1.765 -6.860 1.00 0.00 C ATOM 361 CD1 LEU A 26 -0.826 1.149 -5.828 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.532 1.273 -6.655 1.00 0.00 C ATOM 0 H LEU A 26 -0.892 3.811 -8.725 1.00 0.00 H new ATOM 0 HA LEU A 26 1.379 2.223 -9.250 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.447 1.624 -8.325 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.221 0.379 -8.457 1.00 0.00 H new ATOM 0 HG LEU A 26 0.094 2.847 -6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.469 1.389 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.831 1.549 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.847 0.067 -5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.857 1.511 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.570 0.194 -6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.192 1.762 -7.372 1.00 0.00 H new ATOM 374 N ARG A 27 0.711 0.467 -11.026 1.00 0.00 N ATOM 375 CA ARG A 27 0.524 -0.264 -12.273 1.00 0.00 C ATOM 376 C ARG A 27 0.368 -1.759 -12.009 1.00 0.00 C ATOM 377 O ARG A 27 0.613 -2.232 -10.900 1.00 0.00 O ATOM 378 CB ARG A 27 1.707 -0.022 -13.213 1.00 0.00 C ATOM 379 CG ARG A 27 1.771 1.396 -13.757 1.00 0.00 C ATOM 380 CD ARG A 27 0.810 1.590 -14.920 1.00 0.00 C ATOM 381 NE ARG A 27 1.430 1.270 -16.202 1.00 0.00 N ATOM 382 CZ ARG A 27 2.313 2.056 -16.809 1.00 0.00 C ATOM 383 NH1 ARG A 27 2.677 3.203 -16.252 1.00 0.00 N ATOM 384 NH2 ARG A 27 2.833 1.695 -17.975 1.00 0.00 N ATOM 0 H ARG A 27 1.417 0.070 -10.406 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.388 0.101 -12.746 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.633 -0.241 -12.682 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.646 -0.720 -14.048 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.530 2.103 -12.963 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.788 1.616 -14.083 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.067 0.960 -14.774 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.462 2.623 -14.934 1.00 0.00 H new ATOM 0 HE ARG A 27 1.171 0.395 -16.657 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.279 3.484 -15.356 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.355 3.805 -16.720 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.555 0.813 -18.406 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.511 2.299 -18.440 1.00 0.00 H new ATOM 398 N ASN A 28 -0.042 -2.496 -13.036 1.00 0.00 N ATOM 399 CA ASN A 28 -0.232 -3.937 -12.915 1.00 0.00 C ATOM 400 C ASN A 28 1.107 -4.667 -12.953 1.00 0.00 C ATOM 401 O ASN A 28 1.865 -4.544 -13.914 1.00 0.00 O ATOM 402 CB ASN A 28 -1.137 -4.449 -14.037 1.00 0.00 C ATOM 403 CG ASN A 28 -0.547 -4.205 -15.413 1.00 0.00 C ATOM 404 OD1 ASN A 28 -0.498 -3.070 -15.887 1.00 0.00 O ATOM 405 ND2 ASN A 28 -0.096 -5.272 -16.061 1.00 0.00 N ATOM 0 H ASN A 28 -0.249 -2.119 -13.961 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.707 -4.137 -11.955 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.309 -5.517 -13.903 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.108 -3.959 -13.969 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.311 -5.170 -16.990 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.157 -6.194 -15.629 1.00 0.00 H new ATOM 412 N GLU A 29 1.390 -5.428 -11.900 1.00 0.00 N ATOM 413 CA GLU A 29 2.638 -6.178 -11.814 1.00 0.00 C ATOM 414 C GLU A 29 2.369 -7.680 -11.782 1.00 0.00 C ATOM 415 O GLU A 29 1.300 -8.120 -11.361 1.00 0.00 O ATOM 416 CB GLU A 29 3.423 -5.763 -10.568 1.00 0.00 C ATOM 417 CG GLU A 29 4.830 -5.274 -10.869 1.00 0.00 C ATOM 418 CD GLU A 29 5.748 -6.389 -11.330 1.00 0.00 C ATOM 419 OE1 GLU A 29 6.323 -7.080 -10.464 1.00 0.00 O ATOM 420 OE2 GLU A 29 5.892 -6.569 -12.557 1.00 0.00 O ATOM 0 H GLU A 29 0.773 -5.541 -11.096 1.00 0.00 H new ATOM 0 HA GLU A 29 3.230 -5.951 -12.700 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.876 -4.975 -10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.481 -6.611 -9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.786 -4.503 -11.638 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.248 -4.810 -9.976 1.00 0.00 H new ATOM 427 N GLU A 30 3.348 -8.460 -12.230 1.00 0.00 N ATOM 428 CA GLU A 30 3.216 -9.912 -12.255 1.00 0.00 C ATOM 429 C GLU A 30 4.492 -10.582 -11.753 1.00 0.00 C ATOM 430 O GLU A 30 5.587 -10.293 -12.234 1.00 0.00 O ATOM 431 CB GLU A 30 2.896 -10.393 -13.671 1.00 0.00 C ATOM 432 CG GLU A 30 2.896 -11.906 -13.814 1.00 0.00 C ATOM 433 CD GLU A 30 2.616 -12.358 -15.234 1.00 0.00 C ATOM 434 OE1 GLU A 30 2.665 -11.507 -16.147 1.00 0.00 O ATOM 435 OE2 GLU A 30 2.349 -13.561 -15.433 1.00 0.00 O ATOM 0 H GLU A 30 4.240 -8.111 -12.580 1.00 0.00 H new ATOM 0 HA GLU A 30 2.396 -10.189 -11.592 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.919 -10.009 -13.964 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.625 -9.971 -14.363 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.862 -12.297 -13.496 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.145 -12.330 -13.147 1.00 0.00 H new ATOM 442 N ALA A 31 4.341 -11.479 -10.784 1.00 0.00 N ATOM 443 CA ALA A 31 5.479 -12.192 -10.219 1.00 0.00 C ATOM 444 C ALA A 31 5.213 -13.692 -10.158 1.00 0.00 C ATOM 445 O ALA A 31 4.095 -14.145 -10.405 1.00 0.00 O ATOM 446 CB ALA A 31 5.802 -11.655 -8.832 1.00 0.00 C ATOM 0 H ALA A 31 3.441 -11.729 -10.374 1.00 0.00 H new ATOM 0 HA ALA A 31 6.338 -12.028 -10.870 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.654 -12.197 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.045 -10.594 -8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.939 -11.789 -8.180 1.00 0.00 H new ATOM 452 N THR A 32 6.247 -14.459 -9.829 1.00 0.00 N ATOM 453 CA THR A 32 6.125 -15.909 -9.738 1.00 0.00 C ATOM 454 C THR A 32 6.140 -16.372 -8.286 1.00 0.00 C ATOM 455 O THR A 32 6.663 -15.683 -7.411 1.00 0.00 O ATOM 456 CB THR A 32 7.260 -16.617 -10.502 1.00 0.00 C ATOM 457 OG1 THR A 32 7.553 -15.908 -11.711 1.00 0.00 O ATOM 458 CG2 THR A 32 6.878 -18.053 -10.829 1.00 0.00 C ATOM 0 H THR A 32 7.179 -14.100 -9.621 1.00 0.00 H new ATOM 0 HA THR A 32 5.170 -16.175 -10.192 1.00 0.00 H new ATOM 0 HB THR A 32 8.145 -16.629 -9.866 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.277 -16.363 -12.190 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.695 -18.533 -11.368 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.684 -18.597 -9.905 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.981 -18.059 -11.448 1.00 0.00 H new ATOM 466 N GLU A 33 5.562 -17.543 -8.037 1.00 0.00 N ATOM 467 CA GLU A 33 5.509 -18.097 -6.689 1.00 0.00 C ATOM 468 C GLU A 33 6.910 -18.221 -6.096 1.00 0.00 C ATOM 469 O GLU A 33 7.806 -18.799 -6.710 1.00 0.00 O ATOM 470 CB GLU A 33 4.826 -19.466 -6.703 1.00 0.00 C ATOM 471 CG GLU A 33 3.587 -19.537 -5.827 1.00 0.00 C ATOM 472 CD GLU A 33 3.178 -20.962 -5.507 1.00 0.00 C ATOM 473 OE1 GLU A 33 3.587 -21.877 -6.251 1.00 0.00 O ATOM 474 OE2 GLU A 33 2.449 -21.161 -4.513 1.00 0.00 O ATOM 0 H GLU A 33 5.124 -18.126 -8.750 1.00 0.00 H new ATOM 0 HA GLU A 33 4.929 -17.416 -6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.551 -19.715 -7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.539 -20.222 -6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.773 -18.999 -4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.763 -19.031 -6.329 1.00 0.00 H new ATOM 481 N GLY A 34 7.091 -17.673 -4.899 1.00 0.00 N ATOM 482 CA GLY A 34 8.384 -17.732 -4.243 1.00 0.00 C ATOM 483 C GLY A 34 9.217 -16.490 -4.490 1.00 0.00 C ATOM 484 O GLY A 34 10.091 -16.152 -3.693 1.00 0.00 O ATOM 0 H GLY A 34 6.365 -17.189 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.238 -17.860 -3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.928 -18.607 -4.598 1.00 0.00 H new ATOM 488 N ALA A 35 8.946 -15.809 -5.599 1.00 0.00 N ATOM 489 CA ALA A 35 9.677 -14.598 -5.949 1.00 0.00 C ATOM 490 C ALA A 35 9.328 -13.454 -5.003 1.00 0.00 C ATOM 491 O ALA A 35 8.598 -13.640 -4.029 1.00 0.00 O ATOM 492 CB ALA A 35 9.385 -14.202 -7.389 1.00 0.00 C ATOM 0 H ALA A 35 8.226 -16.076 -6.270 1.00 0.00 H new ATOM 0 HA ALA A 35 10.743 -14.805 -5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.938 -13.296 -7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.691 -15.007 -8.057 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.317 -14.019 -7.507 1.00 0.00 H new ATOM 498 N THR A 36 9.855 -12.268 -5.296 1.00 0.00 N ATOM 499 CA THR A 36 9.600 -11.094 -4.470 1.00 0.00 C ATOM 500 C THR A 36 8.915 -9.995 -5.274 1.00 0.00 C ATOM 501 O THR A 36 9.485 -9.460 -6.223 1.00 0.00 O ATOM 502 CB THR A 36 10.905 -10.537 -3.869 1.00 0.00 C ATOM 503 OG1 THR A 36 11.560 -11.550 -3.098 1.00 0.00 O ATOM 504 CG2 THR A 36 10.622 -9.328 -2.991 1.00 0.00 C ATOM 0 H THR A 36 10.460 -12.096 -6.099 1.00 0.00 H new ATOM 0 HA THR A 36 8.942 -11.412 -3.661 1.00 0.00 H new ATOM 0 HB THR A 36 11.554 -10.228 -4.688 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.389 -11.189 -2.721 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.558 -8.952 -2.577 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.149 -8.548 -3.587 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.956 -9.617 -2.178 1.00 0.00 H new ATOM 512 N ALA A 37 7.687 -9.664 -4.886 1.00 0.00 N ATOM 513 CA ALA A 37 6.925 -8.626 -5.569 1.00 0.00 C ATOM 514 C ALA A 37 7.058 -7.286 -4.853 1.00 0.00 C ATOM 515 O ALA A 37 6.950 -7.211 -3.629 1.00 0.00 O ATOM 516 CB ALA A 37 5.461 -9.028 -5.673 1.00 0.00 C ATOM 0 H ALA A 37 7.200 -10.100 -4.103 1.00 0.00 H new ATOM 0 HA ALA A 37 7.332 -8.513 -6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.904 -8.244 -6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.378 -9.958 -6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.051 -9.171 -4.673 1.00 0.00 H new ATOM 522 N VAL A 38 7.293 -6.229 -5.624 1.00 0.00 N ATOM 523 CA VAL A 38 7.440 -4.891 -5.064 1.00 0.00 C ATOM 524 C VAL A 38 6.857 -3.837 -5.997 1.00 0.00 C ATOM 525 O VAL A 38 7.261 -3.725 -7.155 1.00 0.00 O ATOM 526 CB VAL A 38 8.918 -4.557 -4.790 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.747 -4.726 -6.054 1.00 0.00 C ATOM 528 CG2 VAL A 38 9.052 -3.145 -4.240 1.00 0.00 C ATOM 0 H VAL A 38 7.386 -6.274 -6.639 1.00 0.00 H new ATOM 0 HA VAL A 38 6.892 -4.881 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 38 9.296 -5.252 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.789 -4.486 -5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.676 -5.757 -6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.371 -4.057 -6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.103 -2.926 -4.052 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.657 -2.433 -4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.492 -3.063 -3.308 1.00 0.00 H new ATOM 538 N LEU A 39 5.904 -3.065 -5.487 1.00 0.00 N ATOM 539 CA LEU A 39 5.264 -2.017 -6.275 1.00 0.00 C ATOM 540 C LEU A 39 5.872 -0.653 -5.964 1.00 0.00 C ATOM 541 O LEU A 39 6.284 -0.389 -4.834 1.00 0.00 O ATOM 542 CB LEU A 39 3.759 -1.992 -6.000 1.00 0.00 C ATOM 543 CG LEU A 39 3.007 -3.297 -6.262 1.00 0.00 C ATOM 544 CD1 LEU A 39 2.076 -3.619 -5.103 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.227 -3.210 -7.566 1.00 0.00 C ATOM 0 H LEU A 39 5.557 -3.145 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 39 5.431 -2.236 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.605 -1.710 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.311 -1.209 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 39 3.736 -4.103 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.549 -4.551 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.658 -3.724 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.353 -2.813 -4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.698 -4.148 -7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.508 -2.393 -7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.916 -3.027 -8.391 1.00 0.00 H new ATOM 557 N ARG A 40 5.923 0.210 -6.973 1.00 0.00 N ATOM 558 CA ARG A 40 6.480 1.547 -6.807 1.00 0.00 C ATOM 559 C ARG A 40 5.547 2.601 -7.397 1.00 0.00 C ATOM 560 O ARG A 40 4.925 2.382 -8.437 1.00 0.00 O ATOM 561 CB ARG A 40 7.854 1.637 -7.473 1.00 0.00 C ATOM 562 CG ARG A 40 8.796 0.511 -7.078 1.00 0.00 C ATOM 563 CD ARG A 40 8.982 -0.483 -8.214 1.00 0.00 C ATOM 564 NE ARG A 40 10.269 -1.170 -8.134 1.00 0.00 N ATOM 565 CZ ARG A 40 10.815 -1.827 -9.151 1.00 0.00 C ATOM 566 NH1 ARG A 40 10.191 -1.885 -10.319 1.00 0.00 N ATOM 567 NH2 ARG A 40 11.989 -2.427 -9.001 1.00 0.00 N ATOM 0 H ARG A 40 5.585 0.007 -7.914 1.00 0.00 H new ATOM 0 HA ARG A 40 6.588 1.738 -5.739 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.725 1.629 -8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.313 2.591 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.763 0.927 -6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.402 -0.005 -6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.177 -1.217 -8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.908 0.039 -9.168 1.00 0.00 H new ATOM 0 HE ARG A 40 10.776 -1.144 -7.249 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.289 -1.424 -10.439 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.613 -2.390 -11.098 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.473 -2.384 -8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.408 -2.931 -9.783 1.00 0.00 H new ATOM 581 N CYS A 41 5.456 3.744 -6.726 1.00 0.00 N ATOM 582 CA CYS A 41 4.599 4.832 -7.183 1.00 0.00 C ATOM 583 C CYS A 41 5.146 6.182 -6.731 1.00 0.00 C ATOM 584 O CYS A 41 5.774 6.287 -5.678 1.00 0.00 O ATOM 585 CB CYS A 41 3.175 4.643 -6.657 1.00 0.00 C ATOM 586 SG CYS A 41 3.003 4.924 -4.879 1.00 0.00 S ATOM 0 H CYS A 41 5.965 3.941 -5.864 1.00 0.00 H new ATOM 0 HA CYS A 41 4.581 4.814 -8.273 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.509 5.324 -7.188 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.845 3.630 -6.888 1.00 0.00 H new ATOM 0 HG CYS A 41 4.034 5.584 -4.442 1.00 0.00 H new ATOM 592 N GLU A 42 4.904 7.213 -7.536 1.00 0.00 N ATOM 593 CA GLU A 42 5.375 8.556 -7.219 1.00 0.00 C ATOM 594 C GLU A 42 4.205 9.482 -6.900 1.00 0.00 C ATOM 595 O GLU A 42 3.082 9.262 -7.356 1.00 0.00 O ATOM 596 CB GLU A 42 6.187 9.124 -8.385 1.00 0.00 C ATOM 597 CG GLU A 42 7.013 10.344 -8.014 1.00 0.00 C ATOM 598 CD GLU A 42 8.054 10.684 -9.063 1.00 0.00 C ATOM 599 OE1 GLU A 42 8.973 9.866 -9.276 1.00 0.00 O ATOM 600 OE2 GLU A 42 7.948 11.770 -9.672 1.00 0.00 O ATOM 0 H GLU A 42 4.385 7.143 -8.411 1.00 0.00 H new ATOM 0 HA GLU A 42 6.014 8.491 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.851 8.348 -8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.508 9.388 -9.195 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.350 11.198 -7.875 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.509 10.166 -7.060 1.00 0.00 H new ATOM 607 N LEU A 43 4.476 10.518 -6.114 1.00 0.00 N ATOM 608 CA LEU A 43 3.446 11.478 -5.732 1.00 0.00 C ATOM 609 C LEU A 43 3.824 12.887 -6.178 1.00 0.00 C ATOM 610 O LEU A 43 4.935 13.122 -6.654 1.00 0.00 O ATOM 611 CB LEU A 43 3.231 11.451 -4.218 1.00 0.00 C ATOM 612 CG LEU A 43 2.248 10.402 -3.698 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.546 10.064 -2.246 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.815 10.893 -3.850 1.00 0.00 C ATOM 0 H LEU A 43 5.400 10.715 -5.729 1.00 0.00 H new ATOM 0 HA LEU A 43 2.518 11.195 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.195 11.286 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.882 12.434 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 43 2.366 9.496 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.836 9.316 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.559 9.670 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.457 10.964 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.129 10.134 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.684 11.814 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.605 11.083 -4.903 1.00 0.00 H new ATOM 626 N SER A 44 2.893 13.822 -6.020 1.00 0.00 N ATOM 627 CA SER A 44 3.127 15.208 -6.408 1.00 0.00 C ATOM 628 C SER A 44 3.817 15.978 -5.285 1.00 0.00 C ATOM 629 O SER A 44 4.610 16.886 -5.534 1.00 0.00 O ATOM 630 CB SER A 44 1.806 15.889 -6.771 1.00 0.00 C ATOM 631 OG SER A 44 1.099 16.285 -5.608 1.00 0.00 O ATOM 0 H SER A 44 1.969 13.645 -5.626 1.00 0.00 H new ATOM 0 HA SER A 44 3.780 15.209 -7.281 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.002 16.761 -7.395 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.192 15.207 -7.359 1.00 0.00 H new ATOM 0 HG SER A 44 0.829 17.223 -5.693 1.00 0.00 H new ATOM 637 N LYS A 45 3.508 15.608 -4.047 1.00 0.00 N ATOM 638 CA LYS A 45 4.098 16.260 -2.884 1.00 0.00 C ATOM 639 C LYS A 45 4.180 15.297 -1.703 1.00 0.00 C ATOM 640 O LYS A 45 3.307 14.450 -1.519 1.00 0.00 O ATOM 641 CB LYS A 45 3.277 17.492 -2.494 1.00 0.00 C ATOM 642 CG LYS A 45 3.839 18.243 -1.299 1.00 0.00 C ATOM 643 CD LYS A 45 3.194 19.611 -1.148 1.00 0.00 C ATOM 644 CE LYS A 45 2.401 19.713 0.146 1.00 0.00 C ATOM 645 NZ LYS A 45 1.952 21.108 0.413 1.00 0.00 N ATOM 0 H LYS A 45 2.852 14.860 -3.823 1.00 0.00 H new ATOM 0 HA LYS A 45 5.109 16.572 -3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.226 18.169 -3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.256 17.182 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.676 17.661 -0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.917 18.358 -1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.965 20.382 -1.166 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.535 19.799 -1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.533 19.056 0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.015 19.364 0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.415 21.136 1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.781 21.731 0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.346 21.433 -0.367 1.00 0.00 H new ATOM 659 N MET A 46 5.235 15.434 -0.906 1.00 0.00 N ATOM 660 CA MET A 46 5.429 14.578 0.258 1.00 0.00 C ATOM 661 C MET A 46 4.188 14.576 1.145 1.00 0.00 C ATOM 662 O MET A 46 3.711 15.631 1.562 1.00 0.00 O ATOM 663 CB MET A 46 6.645 15.042 1.062 1.00 0.00 C ATOM 664 CG MET A 46 6.808 14.318 2.389 1.00 0.00 C ATOM 665 SD MET A 46 8.418 14.611 3.146 1.00 0.00 S ATOM 666 CE MET A 46 8.208 16.283 3.752 1.00 0.00 C ATOM 0 H MET A 46 5.968 16.129 -1.045 1.00 0.00 H new ATOM 0 HA MET A 46 5.603 13.561 -0.095 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.544 14.894 0.464 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.560 16.112 1.249 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.024 14.642 3.074 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.673 13.248 2.234 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.123 16.608 4.247 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.992 16.948 2.916 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.381 16.312 4.462 1.00 0.00 H new ATOM 676 N ALA A 47 3.671 13.385 1.429 1.00 0.00 N ATOM 677 CA ALA A 47 2.487 13.247 2.268 1.00 0.00 C ATOM 678 C ALA A 47 2.290 11.800 2.705 1.00 0.00 C ATOM 679 O ALA A 47 2.822 10.866 2.104 1.00 0.00 O ATOM 680 CB ALA A 47 1.255 13.750 1.529 1.00 0.00 C ATOM 0 H ALA A 47 4.053 12.502 1.090 1.00 0.00 H new ATOM 0 HA ALA A 47 2.633 13.852 3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.378 13.641 2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.389 14.801 1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.115 13.169 0.618 1.00 0.00 H new ATOM 686 N PRO A 48 1.507 11.606 3.777 1.00 0.00 N ATOM 687 CA PRO A 48 1.222 10.274 4.318 1.00 0.00 C ATOM 688 C PRO A 48 0.329 9.452 3.395 1.00 0.00 C ATOM 689 O PRO A 48 -0.681 9.944 2.892 1.00 0.00 O ATOM 690 CB PRO A 48 0.499 10.574 5.634 1.00 0.00 C ATOM 691 CG PRO A 48 -0.107 11.920 5.436 1.00 0.00 C ATOM 692 CD PRO A 48 0.839 12.673 4.542 1.00 0.00 C ATOM 0 HA PRO A 48 2.128 9.680 4.439 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.263 9.824 5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.192 10.572 6.476 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.094 11.840 4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.236 12.434 6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.309 13.365 3.888 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.553 13.262 5.118 1.00 0.00 H new ATOM 700 N VAL A 49 0.707 8.196 3.178 1.00 0.00 N ATOM 701 CA VAL A 49 -0.061 7.305 2.317 1.00 0.00 C ATOM 702 C VAL A 49 -0.563 6.091 3.090 1.00 0.00 C ATOM 703 O VAL A 49 -0.158 5.857 4.228 1.00 0.00 O ATOM 704 CB VAL A 49 0.777 6.825 1.117 1.00 0.00 C ATOM 705 CG1 VAL A 49 1.239 8.008 0.280 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.964 6.001 1.592 1.00 0.00 C ATOM 0 H VAL A 49 1.540 7.773 3.587 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.914 7.876 1.950 1.00 0.00 H new ATOM 0 HB VAL A 49 0.151 6.190 0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.829 7.649 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.371 8.552 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.848 8.672 0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.545 5.670 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.593 6.610 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.606 5.132 2.144 1.00 0.00 H new ATOM 716 N GLU A 50 -1.447 5.321 2.464 1.00 0.00 N ATOM 717 CA GLU A 50 -2.005 4.130 3.094 1.00 0.00 C ATOM 718 C GLU A 50 -2.276 3.043 2.059 1.00 0.00 C ATOM 719 O GLU A 50 -2.955 3.278 1.060 1.00 0.00 O ATOM 720 CB GLU A 50 -3.297 4.477 3.836 1.00 0.00 C ATOM 721 CG GLU A 50 -3.073 5.270 5.113 1.00 0.00 C ATOM 722 CD GLU A 50 -4.347 5.901 5.640 1.00 0.00 C ATOM 723 OE1 GLU A 50 -5.439 5.495 5.193 1.00 0.00 O ATOM 724 OE2 GLU A 50 -4.250 6.802 6.499 1.00 0.00 O ATOM 0 H GLU A 50 -1.792 5.500 1.521 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.274 3.752 3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.945 5.050 3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.825 3.555 4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.655 4.613 5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.336 6.051 4.927 1.00 0.00 H new ATOM 731 N TRP A 51 -1.740 1.853 2.306 1.00 0.00 N ATOM 732 CA TRP A 51 -1.923 0.729 1.395 1.00 0.00 C ATOM 733 C TRP A 51 -3.100 -0.138 1.829 1.00 0.00 C ATOM 734 O TRP A 51 -3.139 -0.626 2.958 1.00 0.00 O ATOM 735 CB TRP A 51 -0.649 -0.115 1.331 1.00 0.00 C ATOM 736 CG TRP A 51 0.507 0.600 0.700 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.349 1.490 1.304 1.00 0.00 C ATOM 738 CD2 TRP A 51 0.946 0.488 -0.658 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.285 1.937 0.403 1.00 0.00 N ATOM 740 CE2 TRP A 51 2.060 1.337 -0.808 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.508 -0.249 -1.762 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.738 1.469 -2.016 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.182 -0.117 -2.961 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.288 0.736 -3.080 1.00 0.00 C ATOM 0 H TRP A 51 -1.176 1.642 3.129 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.136 1.129 0.404 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.372 -0.418 2.341 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -0.854 -1.026 0.769 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.288 1.797 2.338 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.027 2.607 0.603 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.342 -0.910 -1.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.589 2.127 -2.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.851 -0.680 -3.821 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.795 0.816 -4.030 1.00 0.00 H new ATOM 755 N TRP A 52 -4.056 -0.324 0.927 1.00 0.00 N ATOM 756 CA TRP A 52 -5.235 -1.132 1.218 1.00 0.00 C ATOM 757 C TRP A 52 -5.346 -2.302 0.247 1.00 0.00 C ATOM 758 O TRP A 52 -4.791 -2.266 -0.851 1.00 0.00 O ATOM 759 CB TRP A 52 -6.498 -0.273 1.147 1.00 0.00 C ATOM 760 CG TRP A 52 -6.576 0.760 2.231 1.00 0.00 C ATOM 761 CD1 TRP A 52 -5.779 1.860 2.373 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.500 0.787 3.324 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.152 2.569 3.489 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.206 1.933 4.089 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.548 -0.043 3.729 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -7.923 2.266 5.236 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.258 0.289 4.868 1.00 0.00 C ATOM 768 CH2 TRP A 52 -8.944 1.435 5.610 1.00 0.00 C ATOM 0 H TRP A 52 -4.038 0.073 -0.012 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.132 -1.530 2.227 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.537 0.224 0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.373 -0.920 1.208 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -4.974 2.132 1.706 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -5.715 3.430 3.818 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.799 -0.928 3.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.682 3.149 5.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.069 -0.346 5.191 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.519 1.667 6.494 1.00 0.00 H new ATOM 779 N LYS A 53 -6.066 -3.340 0.658 1.00 0.00 N ATOM 780 CA LYS A 53 -6.252 -4.522 -0.176 1.00 0.00 C ATOM 781 C LYS A 53 -7.714 -4.958 -0.184 1.00 0.00 C ATOM 782 O LYS A 53 -8.153 -5.704 0.690 1.00 0.00 O ATOM 783 CB LYS A 53 -5.369 -5.668 0.324 1.00 0.00 C ATOM 784 CG LYS A 53 -5.306 -6.847 -0.631 1.00 0.00 C ATOM 785 CD LYS A 53 -4.529 -8.008 -0.033 1.00 0.00 C ATOM 786 CE LYS A 53 -3.199 -8.213 -0.741 1.00 0.00 C ATOM 787 NZ LYS A 53 -2.083 -8.416 0.224 1.00 0.00 N ATOM 0 H LYS A 53 -6.531 -3.387 1.565 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.962 -4.266 -1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.360 -5.292 0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.745 -6.011 1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.317 -7.172 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.836 -6.536 -1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.353 -7.822 1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.123 -8.919 -0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.269 -9.077 -1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.984 -7.348 -1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.194 -8.552 -0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.000 -7.581 0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.275 -9.256 0.806 1.00 0.00 H new ATOM 801 N GLY A 54 -8.462 -4.489 -1.177 1.00 0.00 N ATOM 802 CA GLY A 54 -9.865 -4.842 -1.281 1.00 0.00 C ATOM 803 C GLY A 54 -10.731 -4.069 -0.306 1.00 0.00 C ATOM 804 O GLY A 54 -11.418 -3.122 -0.690 1.00 0.00 O ATOM 0 H GLY A 54 -8.121 -3.870 -1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.210 -4.653 -2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.982 -5.910 -1.098 1.00 0.00 H new ATOM 808 N HIS A 55 -10.701 -4.474 0.960 1.00 0.00 N ATOM 809 CA HIS A 55 -11.491 -3.813 1.993 1.00 0.00 C ATOM 810 C HIS A 55 -10.804 -3.917 3.351 1.00 0.00 C ATOM 811 O HIS A 55 -11.464 -3.958 4.389 1.00 0.00 O ATOM 812 CB HIS A 55 -12.889 -4.427 2.067 1.00 0.00 C ATOM 813 CG HIS A 55 -13.990 -3.412 2.067 1.00 0.00 C ATOM 814 ND1 HIS A 55 -13.973 -2.283 2.860 1.00 0.00 N ATOM 815 CD2 HIS A 55 -15.145 -3.358 1.364 1.00 0.00 C ATOM 816 CE1 HIS A 55 -15.071 -1.581 2.645 1.00 0.00 C ATOM 817 NE2 HIS A 55 -15.799 -2.211 1.742 1.00 0.00 N ATOM 0 H HIS A 55 -10.139 -5.256 1.295 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.579 -2.759 1.730 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -13.026 -5.100 1.221 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.964 -5.032 2.971 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -15.489 -4.082 0.640 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -15.329 -0.649 3.126 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -16.701 -1.897 1.383 1.00 0.00 H new ATOM 825 N GLU A 56 -9.475 -3.959 3.336 1.00 0.00 N ATOM 826 CA GLU A 56 -8.701 -4.059 4.567 1.00 0.00 C ATOM 827 C GLU A 56 -7.318 -3.437 4.392 1.00 0.00 C ATOM 828 O GLU A 56 -6.694 -3.568 3.339 1.00 0.00 O ATOM 829 CB GLU A 56 -8.563 -5.523 4.991 1.00 0.00 C ATOM 830 CG GLU A 56 -7.813 -5.710 6.299 1.00 0.00 C ATOM 831 CD GLU A 56 -7.937 -7.118 6.847 1.00 0.00 C ATOM 832 OE1 GLU A 56 -7.137 -7.986 6.438 1.00 0.00 O ATOM 833 OE2 GLU A 56 -8.834 -7.353 7.683 1.00 0.00 O ATOM 0 H GLU A 56 -8.913 -3.925 2.485 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.232 -3.511 5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.557 -5.960 5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.047 -6.073 4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.760 -5.475 6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.194 -5.003 7.036 1.00 0.00 H new ATOM 840 N THR A 57 -6.846 -2.757 5.433 1.00 0.00 N ATOM 841 CA THR A 57 -5.539 -2.113 5.395 1.00 0.00 C ATOM 842 C THR A 57 -4.420 -3.125 5.610 1.00 0.00 C ATOM 843 O THR A 57 -4.622 -4.165 6.239 1.00 0.00 O ATOM 844 CB THR A 57 -5.428 -1.007 6.462 1.00 0.00 C ATOM 845 OG1 THR A 57 -6.698 -0.802 7.091 1.00 0.00 O ATOM 846 CG2 THR A 57 -4.947 0.297 5.842 1.00 0.00 C ATOM 0 H THR A 57 -7.349 -2.638 6.312 1.00 0.00 H new ATOM 0 HA THR A 57 -5.435 -1.667 4.406 1.00 0.00 H new ATOM 0 HB THR A 57 -4.701 -1.326 7.209 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.250 -0.217 6.531 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.876 1.063 6.614 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.966 0.145 5.391 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.653 0.618 5.076 1.00 0.00 H new ATOM 854 N LEU A 58 -3.240 -2.815 5.085 1.00 0.00 N ATOM 855 CA LEU A 58 -2.087 -3.699 5.220 1.00 0.00 C ATOM 856 C LEU A 58 -1.156 -3.214 6.327 1.00 0.00 C ATOM 857 O LEU A 58 -1.268 -2.080 6.794 1.00 0.00 O ATOM 858 CB LEU A 58 -1.324 -3.781 3.897 1.00 0.00 C ATOM 859 CG LEU A 58 -2.144 -4.197 2.675 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.357 -3.953 1.396 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.554 -5.658 2.780 1.00 0.00 C ATOM 0 H LEU A 58 -3.056 -1.959 4.562 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.451 -4.692 5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.879 -2.807 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.503 -4.488 4.017 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.048 -3.588 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.956 -4.255 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.114 -2.894 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.436 -4.536 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.137 -5.936 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.663 -6.283 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.157 -5.803 3.676 1.00 0.00 H new ATOM 873 N ARG A 59 -0.236 -4.079 6.741 1.00 0.00 N ATOM 874 CA ARG A 59 0.715 -3.739 7.793 1.00 0.00 C ATOM 875 C ARG A 59 2.150 -3.888 7.297 1.00 0.00 C ATOM 876 O ARG A 59 2.393 -4.457 6.233 1.00 0.00 O ATOM 877 CB ARG A 59 0.492 -4.627 9.018 1.00 0.00 C ATOM 878 CG ARG A 59 -0.581 -4.106 9.961 1.00 0.00 C ATOM 879 CD ARG A 59 -0.013 -3.102 10.951 1.00 0.00 C ATOM 880 NE ARG A 59 -0.214 -3.524 12.335 1.00 0.00 N ATOM 881 CZ ARG A 59 -1.365 -3.389 12.984 1.00 0.00 C ATOM 882 NH1 ARG A 59 -2.412 -2.846 12.378 1.00 0.00 N ATOM 883 NH2 ARG A 59 -1.470 -3.797 14.242 1.00 0.00 N ATOM 0 H ARG A 59 -0.129 -5.021 6.364 1.00 0.00 H new ATOM 0 HA ARG A 59 0.552 -2.698 8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.217 -5.628 8.685 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.430 -4.720 9.565 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.378 -3.638 9.384 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.027 -4.940 10.503 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.053 -2.971 10.763 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.486 -2.132 10.795 1.00 0.00 H new ATOM 0 HE ARG A 59 0.572 -3.945 12.830 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.335 -2.531 11.411 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.295 -2.744 12.879 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.667 -4.215 14.711 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.354 -3.693 14.740 1.00 0.00 H new ATOM 897 N ASP A 60 3.096 -3.372 8.074 1.00 0.00 N ATOM 898 CA ASP A 60 4.507 -3.449 7.715 1.00 0.00 C ATOM 899 C ASP A 60 5.271 -4.332 8.696 1.00 0.00 C ATOM 900 O ASP A 60 5.057 -4.262 9.906 1.00 0.00 O ATOM 901 CB ASP A 60 5.123 -2.049 7.682 1.00 0.00 C ATOM 902 CG ASP A 60 5.450 -1.528 9.068 1.00 0.00 C ATOM 903 OD1 ASP A 60 6.527 -1.880 9.595 1.00 0.00 O ATOM 904 OD2 ASP A 60 4.630 -0.769 9.625 1.00 0.00 O ATOM 0 H ASP A 60 2.911 -2.896 8.957 1.00 0.00 H new ATOM 0 HA ASP A 60 4.580 -3.894 6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.032 -2.069 7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.432 -1.363 7.193 1.00 0.00 H new ATOM 909 N GLY A 61 6.162 -5.164 8.166 1.00 0.00 N ATOM 910 CA GLY A 61 6.943 -6.050 9.009 1.00 0.00 C ATOM 911 C GLY A 61 6.513 -7.498 8.885 1.00 0.00 C ATOM 912 O GLY A 61 5.578 -7.813 8.149 1.00 0.00 O ATOM 0 H GLY A 61 6.357 -5.240 7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.997 -5.963 8.744 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.849 -5.734 10.048 1.00 0.00 H new ATOM 916 N ASP A 62 7.196 -8.380 9.605 1.00 0.00 N ATOM 917 CA ASP A 62 6.879 -9.803 9.572 1.00 0.00 C ATOM 918 C ASP A 62 7.240 -10.409 8.219 1.00 0.00 C ATOM 919 O ASP A 62 8.244 -11.108 8.089 1.00 0.00 O ATOM 920 CB ASP A 62 5.394 -10.024 9.864 1.00 0.00 C ATOM 921 CG ASP A 62 5.164 -10.767 11.165 1.00 0.00 C ATOM 922 OD1 ASP A 62 5.739 -10.354 12.193 1.00 0.00 O ATOM 923 OD2 ASP A 62 4.408 -11.762 11.155 1.00 0.00 O ATOM 0 H ASP A 62 7.973 -8.135 10.219 1.00 0.00 H new ATOM 0 HA ASP A 62 7.470 -10.299 10.342 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.887 -9.060 9.905 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.945 -10.585 9.044 1.00 0.00 H new ATOM 928 N ARG A 63 6.412 -10.137 7.215 1.00 0.00 N ATOM 929 CA ARG A 63 6.643 -10.657 5.873 1.00 0.00 C ATOM 930 C ARG A 63 6.473 -9.558 4.827 1.00 0.00 C ATOM 931 O ARG A 63 6.496 -9.822 3.625 1.00 0.00 O ATOM 932 CB ARG A 63 5.682 -11.809 5.577 1.00 0.00 C ATOM 933 CG ARG A 63 5.716 -12.914 6.621 1.00 0.00 C ATOM 934 CD ARG A 63 5.387 -14.267 6.010 1.00 0.00 C ATOM 935 NE ARG A 63 5.244 -15.306 7.027 1.00 0.00 N ATOM 936 CZ ARG A 63 4.180 -15.424 7.813 1.00 0.00 C ATOM 937 NH1 ARG A 63 3.170 -14.572 7.699 1.00 0.00 N ATOM 938 NH2 ARG A 63 4.123 -16.396 8.714 1.00 0.00 N ATOM 0 H ARG A 63 5.576 -9.560 7.306 1.00 0.00 H new ATOM 0 HA ARG A 63 7.668 -11.026 5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.667 -11.416 5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.926 -12.233 4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.704 -12.952 7.081 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.003 -12.689 7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.463 -14.191 5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.174 -14.550 5.311 1.00 0.00 H new ATOM 0 HE ARG A 63 6.003 -15.978 7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.209 -13.824 7.007 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.354 -14.665 8.304 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.897 -17.054 8.804 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.305 -16.485 9.317 1.00 0.00 H new ATOM 952 N HIS A 64 6.304 -8.325 5.295 1.00 0.00 N ATOM 953 CA HIS A 64 6.130 -7.186 4.400 1.00 0.00 C ATOM 954 C HIS A 64 7.149 -6.093 4.709 1.00 0.00 C ATOM 955 O HIS A 64 7.581 -5.938 5.851 1.00 0.00 O ATOM 956 CB HIS A 64 4.712 -6.627 4.521 1.00 0.00 C ATOM 957 CG HIS A 64 3.652 -7.577 4.057 1.00 0.00 C ATOM 958 ND1 HIS A 64 3.427 -8.802 4.650 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.751 -7.476 3.052 1.00 0.00 C ATOM 960 CE1 HIS A 64 2.435 -9.414 4.028 1.00 0.00 C ATOM 961 NE2 HIS A 64 2.007 -8.630 3.055 1.00 0.00 N ATOM 0 H HIS A 64 6.284 -8.089 6.287 1.00 0.00 H new ATOM 0 HA HIS A 64 6.290 -7.530 3.378 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.522 -6.363 5.561 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.642 -5.707 3.941 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.638 -6.643 2.374 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.041 -10.389 4.273 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.247 -8.847 2.410 1.00 0.00 H new ATOM 969 N SER A 65 7.529 -5.338 3.683 1.00 0.00 N ATOM 970 CA SER A 65 8.500 -4.262 3.845 1.00 0.00 C ATOM 971 C SER A 65 7.986 -2.968 3.221 1.00 0.00 C ATOM 972 O SER A 65 7.993 -2.808 1.999 1.00 0.00 O ATOM 973 CB SER A 65 9.836 -4.653 3.209 1.00 0.00 C ATOM 974 OG SER A 65 10.776 -5.042 4.195 1.00 0.00 O ATOM 0 H SER A 65 7.180 -5.451 2.731 1.00 0.00 H new ATOM 0 HA SER A 65 8.648 -4.096 4.912 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.682 -5.472 2.506 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.230 -3.812 2.638 1.00 0.00 H new ATOM 0 HG SER A 65 11.620 -5.289 3.763 1.00 0.00 H new ATOM 980 N LEU A 66 7.540 -2.047 4.068 1.00 0.00 N ATOM 981 CA LEU A 66 7.022 -0.765 3.601 1.00 0.00 C ATOM 982 C LEU A 66 8.104 0.309 3.648 1.00 0.00 C ATOM 983 O LEU A 66 8.678 0.580 4.703 1.00 0.00 O ATOM 984 CB LEU A 66 5.825 -0.337 4.451 1.00 0.00 C ATOM 985 CG LEU A 66 4.483 -0.975 4.090 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.430 -2.416 4.574 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.334 -0.170 4.680 1.00 0.00 C ATOM 0 H LEU A 66 7.526 -2.164 5.081 1.00 0.00 H new ATOM 0 HA LEU A 66 6.701 -0.886 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.045 -0.566 5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.721 0.746 4.378 1.00 0.00 H new ATOM 0 HG LEU A 66 4.382 -0.974 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.468 -2.854 4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.231 -2.987 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.553 -2.441 5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.387 -0.639 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.431 -0.140 5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.361 0.845 4.285 1.00 0.00 H new ATOM 999 N ARG A 67 8.375 0.919 2.499 1.00 0.00 N ATOM 1000 CA ARG A 67 9.387 1.965 2.409 1.00 0.00 C ATOM 1001 C ARG A 67 8.826 3.206 1.722 1.00 0.00 C ATOM 1002 O ARG A 67 8.125 3.106 0.716 1.00 0.00 O ATOM 1003 CB ARG A 67 10.611 1.456 1.647 1.00 0.00 C ATOM 1004 CG ARG A 67 11.121 0.112 2.142 1.00 0.00 C ATOM 1005 CD ARG A 67 12.457 -0.244 1.508 1.00 0.00 C ATOM 1006 NE ARG A 67 13.116 -1.347 2.203 1.00 0.00 N ATOM 1007 CZ ARG A 67 13.817 -1.197 3.321 1.00 0.00 C ATOM 1008 NH1 ARG A 67 13.950 0.003 3.868 1.00 0.00 N ATOM 1009 NH2 ARG A 67 14.387 -2.249 3.894 1.00 0.00 N ATOM 0 H ARG A 67 7.908 0.707 1.617 1.00 0.00 H new ATOM 0 HA ARG A 67 9.685 2.235 3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.361 1.373 0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.411 2.191 1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.227 0.139 3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.390 -0.663 1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.302 -0.515 0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.107 0.631 1.518 1.00 0.00 H new ATOM 0 HE ARG A 67 13.033 -2.284 1.808 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.513 0.814 3.430 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.489 0.115 4.727 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.287 -3.174 3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.925 -2.133 4.753 1.00 0.00 H new ATOM 1023 N GLN A 68 9.140 4.374 2.273 1.00 0.00 N ATOM 1024 CA GLN A 68 8.666 5.635 1.713 1.00 0.00 C ATOM 1025 C GLN A 68 9.783 6.672 1.686 1.00 0.00 C ATOM 1026 O GLN A 68 10.494 6.860 2.674 1.00 0.00 O ATOM 1027 CB GLN A 68 7.482 6.164 2.524 1.00 0.00 C ATOM 1028 CG GLN A 68 6.399 6.806 1.671 1.00 0.00 C ATOM 1029 CD GLN A 68 5.535 7.773 2.456 1.00 0.00 C ATOM 1030 OE1 GLN A 68 5.196 7.522 3.612 1.00 0.00 O ATOM 1031 NE2 GLN A 68 5.174 8.887 1.830 1.00 0.00 N ATOM 0 H GLN A 68 9.720 4.474 3.106 1.00 0.00 H new ATOM 0 HA GLN A 68 8.342 5.450 0.689 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.046 5.343 3.093 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.845 6.895 3.247 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.863 7.334 0.838 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.769 6.026 1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.478 9.054 0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.593 9.575 2.308 1.00 0.00 H new ATOM 1040 N ASP A 69 9.933 7.344 0.550 1.00 0.00 N ATOM 1041 CA ASP A 69 10.963 8.364 0.394 1.00 0.00 C ATOM 1042 C ASP A 69 10.360 9.675 -0.102 1.00 0.00 C ATOM 1043 O ASP A 69 10.352 9.952 -1.300 1.00 0.00 O ATOM 1044 CB ASP A 69 12.042 7.885 -0.579 1.00 0.00 C ATOM 1045 CG ASP A 69 13.166 7.146 0.121 1.00 0.00 C ATOM 1046 OD1 ASP A 69 12.917 6.577 1.206 1.00 0.00 O ATOM 1047 OD2 ASP A 69 14.293 7.135 -0.415 1.00 0.00 O ATOM 0 H ASP A 69 9.354 7.200 -0.277 1.00 0.00 H new ATOM 0 HA ASP A 69 11.416 8.539 1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.590 7.231 -1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.452 8.742 -1.113 1.00 0.00 H new ATOM 1052 N GLY A 70 9.855 10.478 0.830 1.00 0.00 N ATOM 1053 CA GLY A 70 9.255 11.749 0.469 1.00 0.00 C ATOM 1054 C GLY A 70 7.932 11.582 -0.252 1.00 0.00 C ATOM 1055 O GLY A 70 6.880 11.493 0.381 1.00 0.00 O ATOM 0 H GLY A 70 9.851 10.271 1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.102 12.344 1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.944 12.305 -0.167 1.00 0.00 H new ATOM 1059 N ALA A 71 7.984 11.540 -1.579 1.00 0.00 N ATOM 1060 CA ALA A 71 6.780 11.382 -2.386 1.00 0.00 C ATOM 1061 C ALA A 71 6.720 9.995 -3.017 1.00 0.00 C ATOM 1062 O ALA A 71 5.639 9.467 -3.275 1.00 0.00 O ATOM 1063 CB ALA A 71 6.721 12.457 -3.461 1.00 0.00 C ATOM 0 H ALA A 71 8.847 11.613 -2.118 1.00 0.00 H new ATOM 0 HA ALA A 71 5.916 11.491 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.817 12.327 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.708 13.441 -2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.595 12.374 -4.107 1.00 0.00 H new ATOM 1069 N ARG A 72 7.888 9.412 -3.264 1.00 0.00 N ATOM 1070 CA ARG A 72 7.968 8.087 -3.868 1.00 0.00 C ATOM 1071 C ARG A 72 7.810 6.998 -2.810 1.00 0.00 C ATOM 1072 O ARG A 72 8.576 6.938 -1.847 1.00 0.00 O ATOM 1073 CB ARG A 72 9.301 7.915 -4.598 1.00 0.00 C ATOM 1074 CG ARG A 72 9.194 8.067 -6.106 1.00 0.00 C ATOM 1075 CD ARG A 72 10.423 7.515 -6.811 1.00 0.00 C ATOM 1076 NE ARG A 72 11.362 8.570 -7.180 1.00 0.00 N ATOM 1077 CZ ARG A 72 12.458 8.359 -7.901 1.00 0.00 C ATOM 1078 NH1 ARG A 72 12.750 7.138 -8.327 1.00 0.00 N ATOM 1079 NH2 ARG A 72 13.264 9.371 -8.197 1.00 0.00 N ATOM 0 H ARG A 72 8.792 9.836 -3.055 1.00 0.00 H new ATOM 0 HA ARG A 72 7.154 7.993 -4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.011 8.649 -4.217 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.707 6.930 -4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.305 7.547 -6.463 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.071 9.120 -6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.922 6.797 -6.160 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.115 6.974 -7.706 1.00 0.00 H new ATOM 0 HE ARG A 72 11.166 9.521 -6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.133 6.358 -8.101 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.592 6.979 -8.880 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.042 10.312 -7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.105 9.208 -8.751 1.00 0.00 H new ATOM 1093 N CYS A 73 6.814 6.140 -2.997 1.00 0.00 N ATOM 1094 CA CYS A 73 6.554 5.053 -2.058 1.00 0.00 C ATOM 1095 C CYS A 73 6.967 3.711 -2.653 1.00 0.00 C ATOM 1096 O CYS A 73 7.211 3.603 -3.855 1.00 0.00 O ATOM 1097 CB CYS A 73 5.073 5.023 -1.678 1.00 0.00 C ATOM 1098 SG CYS A 73 4.400 6.632 -1.201 1.00 0.00 S ATOM 0 H CYS A 73 6.173 6.175 -3.790 1.00 0.00 H new ATOM 0 HA CYS A 73 7.148 5.230 -1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.500 4.637 -2.521 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.935 4.324 -0.853 1.00 0.00 H new ATOM 0 HG CYS A 73 3.429 6.951 -2.004 1.00 0.00 H new ATOM 1104 N GLU A 74 7.045 2.692 -1.804 1.00 0.00 N ATOM 1105 CA GLU A 74 7.431 1.357 -2.246 1.00 0.00 C ATOM 1106 C GLU A 74 6.997 0.301 -1.233 1.00 0.00 C ATOM 1107 O GLU A 74 7.241 0.439 -0.033 1.00 0.00 O ATOM 1108 CB GLU A 74 8.944 1.284 -2.459 1.00 0.00 C ATOM 1109 CG GLU A 74 9.342 0.889 -3.872 1.00 0.00 C ATOM 1110 CD GLU A 74 10.833 0.655 -4.014 1.00 0.00 C ATOM 1111 OE1 GLU A 74 11.613 1.425 -3.415 1.00 0.00 O ATOM 1112 OE2 GLU A 74 11.220 -0.296 -4.724 1.00 0.00 O ATOM 0 H GLU A 74 6.846 2.765 -0.806 1.00 0.00 H new ATOM 0 HA GLU A 74 6.928 1.156 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.383 2.254 -2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.367 0.565 -1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.807 -0.017 -4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.033 1.672 -4.565 1.00 0.00 H new ATOM 1119 N LEU A 75 6.353 -0.752 -1.724 1.00 0.00 N ATOM 1120 CA LEU A 75 5.884 -1.832 -0.862 1.00 0.00 C ATOM 1121 C LEU A 75 6.432 -3.177 -1.328 1.00 0.00 C ATOM 1122 O LEU A 75 6.002 -3.712 -2.349 1.00 0.00 O ATOM 1123 CB LEU A 75 4.355 -1.869 -0.845 1.00 0.00 C ATOM 1124 CG LEU A 75 3.721 -3.151 -0.302 1.00 0.00 C ATOM 1125 CD1 LEU A 75 4.241 -3.453 1.094 1.00 0.00 C ATOM 1126 CD2 LEU A 75 2.204 -3.034 -0.295 1.00 0.00 C ATOM 0 H LEU A 75 6.144 -0.881 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 75 6.248 -1.643 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.998 -1.030 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.996 -1.713 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 75 3.998 -3.977 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.779 -4.368 1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.323 -3.581 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.994 -2.627 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.770 -3.955 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.907 -2.197 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.847 -2.866 -1.311 1.00 0.00 H new ATOM 1138 N GLN A 76 7.382 -3.717 -0.572 1.00 0.00 N ATOM 1139 CA GLN A 76 7.988 -5.000 -0.907 1.00 0.00 C ATOM 1140 C GLN A 76 7.333 -6.132 -0.123 1.00 0.00 C ATOM 1141 O GLN A 76 6.895 -5.942 1.012 1.00 0.00 O ATOM 1142 CB GLN A 76 9.490 -4.969 -0.623 1.00 0.00 C ATOM 1143 CG GLN A 76 10.199 -6.273 -0.952 1.00 0.00 C ATOM 1144 CD GLN A 76 11.501 -6.057 -1.698 1.00 0.00 C ATOM 1145 OE1 GLN A 76 11.505 -5.806 -2.904 1.00 0.00 O ATOM 1146 NE2 GLN A 76 12.616 -6.153 -0.983 1.00 0.00 N ATOM 0 H GLN A 76 7.749 -3.286 0.277 1.00 0.00 H new ATOM 0 HA GLN A 76 7.831 -5.181 -1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.944 -4.163 -1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.647 -4.735 0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.400 -6.816 -0.028 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.540 -6.899 -1.553 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.566 -6.363 0.014 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.522 -6.017 -1.431 1.00 0.00 H new ATOM 1155 N ILE A 77 7.269 -7.310 -0.735 1.00 0.00 N ATOM 1156 CA ILE A 77 6.668 -8.472 -0.093 1.00 0.00 C ATOM 1157 C ILE A 77 7.520 -9.719 -0.306 1.00 0.00 C ATOM 1158 O ILE A 77 7.652 -10.210 -1.427 1.00 0.00 O ATOM 1159 CB ILE A 77 5.248 -8.738 -0.626 1.00 0.00 C ATOM 1160 CG1 ILE A 77 4.356 -7.517 -0.394 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.653 -9.969 0.042 1.00 0.00 C ATOM 1162 CD1 ILE A 77 3.112 -7.505 -1.254 1.00 0.00 C ATOM 0 H ILE A 77 7.626 -7.484 -1.674 1.00 0.00 H new ATOM 0 HA ILE A 77 6.612 -8.250 0.973 1.00 0.00 H new ATOM 0 HB ILE A 77 5.307 -8.923 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.063 -7.486 0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.933 -6.613 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.649 -10.144 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.279 -10.836 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.604 -9.810 1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.528 -6.611 -1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.397 -7.505 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.513 -8.391 -1.040 1.00 0.00 H new ATOM 1174 N ARG A 78 8.096 -10.228 0.779 1.00 0.00 N ATOM 1175 CA ARG A 78 8.934 -11.418 0.712 1.00 0.00 C ATOM 1176 C ARG A 78 8.145 -12.663 1.106 1.00 0.00 C ATOM 1177 O ARG A 78 7.398 -12.653 2.084 1.00 0.00 O ATOM 1178 CB ARG A 78 10.151 -11.263 1.625 1.00 0.00 C ATOM 1179 CG ARG A 78 11.374 -10.699 0.921 1.00 0.00 C ATOM 1180 CD ARG A 78 12.657 -11.064 1.652 1.00 0.00 C ATOM 1181 NE ARG A 78 13.846 -10.721 0.876 1.00 0.00 N ATOM 1182 CZ ARG A 78 14.345 -9.492 0.801 1.00 0.00 C ATOM 1183 NH1 ARG A 78 13.761 -8.495 1.452 1.00 0.00 N ATOM 1184 NH2 ARG A 78 15.430 -9.259 0.075 1.00 0.00 N ATOM 0 H ARG A 78 7.997 -9.834 1.715 1.00 0.00 H new ATOM 0 HA ARG A 78 9.273 -11.535 -0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.889 -10.610 2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.403 -12.235 2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.415 -11.079 -0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.288 -9.614 0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.688 -10.546 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.660 -12.133 1.867 1.00 0.00 H new ATOM 0 HE ARG A 78 14.319 -11.466 0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.927 -8.671 2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.146 -7.552 1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.882 -10.024 -0.426 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.812 -8.315 0.018 1.00 0.00 H new ATOM 1198 N GLY A 79 8.315 -13.734 0.337 1.00 0.00 N ATOM 1199 CA GLY A 79 7.611 -14.971 0.621 1.00 0.00 C ATOM 1200 C GLY A 79 6.286 -15.065 -0.108 1.00 0.00 C ATOM 1201 O GLY A 79 5.234 -15.212 0.517 1.00 0.00 O ATOM 0 H GLY A 79 8.928 -13.767 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.239 -15.816 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.438 -15.049 1.694 1.00 0.00 H new ATOM 1205 N LEU A 80 6.334 -14.979 -1.433 1.00 0.00 N ATOM 1206 CA LEU A 80 5.126 -15.053 -2.248 1.00 0.00 C ATOM 1207 C LEU A 80 4.435 -16.401 -2.075 1.00 0.00 C ATOM 1208 O LEU A 80 5.000 -17.332 -1.501 1.00 0.00 O ATOM 1209 CB LEU A 80 5.468 -14.828 -3.722 1.00 0.00 C ATOM 1210 CG LEU A 80 5.503 -13.372 -4.188 1.00 0.00 C ATOM 1211 CD1 LEU A 80 5.914 -13.289 -5.650 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.148 -12.712 -3.976 1.00 0.00 C ATOM 0 H LEU A 80 7.196 -14.858 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 80 4.444 -14.270 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.442 -15.276 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.740 -15.366 -4.329 1.00 0.00 H new ATOM 0 HG LEU A 80 6.243 -12.838 -3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.933 -12.245 -5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.906 -13.724 -5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.198 -13.838 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.191 -11.676 -4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.389 -13.248 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.892 -12.738 -2.917 1.00 0.00 H new ATOM 1224 N VAL A 81 3.208 -16.500 -2.577 1.00 0.00 N ATOM 1225 CA VAL A 81 2.439 -17.736 -2.481 1.00 0.00 C ATOM 1226 C VAL A 81 1.238 -17.710 -3.419 1.00 0.00 C ATOM 1227 O VAL A 81 1.250 -18.335 -4.479 1.00 0.00 O ATOM 1228 CB VAL A 81 1.949 -17.981 -1.042 1.00 0.00 C ATOM 1229 CG1 VAL A 81 2.825 -19.012 -0.347 1.00 0.00 C ATOM 1230 CG2 VAL A 81 1.922 -16.677 -0.259 1.00 0.00 C ATOM 0 H VAL A 81 2.725 -15.739 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 81 3.106 -18.548 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 81 0.933 -18.373 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.463 -19.172 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.787 -19.952 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.853 -18.652 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.573 -16.869 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.926 -16.253 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.248 -15.973 -0.747 1.00 0.00 H new ATOM 1240 N ALA A 82 0.200 -16.981 -3.021 1.00 0.00 N ATOM 1241 CA ALA A 82 -1.010 -16.871 -3.827 1.00 0.00 C ATOM 1242 C ALA A 82 -2.044 -15.980 -3.147 1.00 0.00 C ATOM 1243 O ALA A 82 -2.794 -15.266 -3.812 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.594 -18.251 -4.094 1.00 0.00 C ATOM 0 H ALA A 82 0.173 -16.458 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.742 -16.411 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.497 -18.154 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.864 -18.858 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.840 -18.731 -3.147 1.00 0.00 H new ATOM 1250 N GLU A 83 -2.078 -16.028 -1.819 1.00 0.00 N ATOM 1251 CA GLU A 83 -3.021 -15.225 -1.050 1.00 0.00 C ATOM 1252 C GLU A 83 -2.686 -13.740 -1.157 1.00 0.00 C ATOM 1253 O GLU A 83 -3.559 -12.884 -1.013 1.00 0.00 O ATOM 1254 CB GLU A 83 -3.014 -15.656 0.418 1.00 0.00 C ATOM 1255 CG GLU A 83 -3.915 -16.845 0.708 1.00 0.00 C ATOM 1256 CD GLU A 83 -5.328 -16.431 1.071 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -5.585 -16.182 2.267 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -6.176 -16.356 0.157 1.00 0.00 O ATOM 0 H GLU A 83 -1.464 -16.614 -1.254 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.017 -15.386 -1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.994 -15.904 0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.327 -14.815 1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.944 -17.496 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.490 -17.428 1.525 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.416 -13.443 -1.411 1.00 0.00 N ATOM 1266 CA ASP A 84 -0.965 -12.062 -1.538 1.00 0.00 C ATOM 1267 C ASP A 84 -1.505 -11.429 -2.816 1.00 0.00 C ATOM 1268 O ASP A 84 -1.742 -10.223 -2.871 1.00 0.00 O ATOM 1269 CB ASP A 84 0.563 -12.000 -1.530 1.00 0.00 C ATOM 1270 CG ASP A 84 1.127 -11.775 -0.141 1.00 0.00 C ATOM 1271 OD1 ASP A 84 1.265 -10.600 0.260 1.00 0.00 O ATOM 1272 OD2 ASP A 84 1.428 -12.773 0.546 1.00 0.00 O ATOM 0 H ASP A 84 -0.681 -14.140 -1.533 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.349 -11.501 -0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.963 -12.929 -1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.894 -11.197 -2.188 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.698 -12.252 -3.842 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.211 -11.772 -5.119 1.00 0.00 C ATOM 1279 C ALA A 85 -3.629 -11.232 -4.973 1.00 0.00 C ATOM 1280 O ALA A 85 -4.436 -11.773 -4.218 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.173 -12.887 -6.155 1.00 0.00 C ATOM 0 H ALA A 85 -1.507 -13.254 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.572 -10.955 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.559 -12.515 -7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.145 -13.225 -6.288 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.788 -13.721 -5.815 1.00 0.00 H new ATOM 1287 N GLY A 86 -3.927 -10.159 -5.700 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.248 -9.562 -5.636 1.00 0.00 C ATOM 1289 C GLY A 86 -5.272 -8.145 -6.173 1.00 0.00 C ATOM 1290 O GLY A 86 -4.697 -7.865 -7.225 1.00 0.00 O ATOM 0 H GLY A 86 -3.277 -9.693 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.948 -10.174 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.593 -9.561 -4.602 1.00 0.00 H new ATOM 1294 N GLU A 87 -5.939 -7.251 -5.451 1.00 0.00 N ATOM 1295 CA GLU A 87 -6.036 -5.856 -5.864 1.00 0.00 C ATOM 1296 C GLU A 87 -5.510 -4.927 -4.773 1.00 0.00 C ATOM 1297 O GLU A 87 -6.107 -4.808 -3.702 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.486 -5.499 -6.196 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.660 -4.084 -6.721 1.00 0.00 C ATOM 1300 CD GLU A 87 -9.034 -3.848 -7.317 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -9.516 -4.727 -8.062 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.627 -2.784 -7.039 1.00 0.00 O ATOM 0 H GLU A 87 -6.420 -7.467 -4.578 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.423 -5.725 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.863 -6.202 -6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.096 -5.623 -5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.494 -3.376 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.901 -3.885 -7.477 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.388 -4.273 -5.051 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.779 -3.357 -4.094 1.00 0.00 C ATOM 1311 C TYR A 88 -4.347 -1.950 -4.249 1.00 0.00 C ATOM 1312 O TYR A 88 -5.010 -1.640 -5.240 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.261 -3.330 -4.277 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.562 -4.550 -3.721 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.651 -5.779 -4.362 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -0.812 -4.473 -2.554 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.015 -6.896 -3.856 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.170 -5.584 -2.042 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.275 -6.794 -2.696 1.00 0.00 C ATOM 1320 OH TYR A 88 0.361 -7.904 -2.191 1.00 0.00 O ATOM 0 H TYR A 88 -3.881 -4.360 -5.932 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.011 -3.714 -3.090 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.033 -3.244 -5.339 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.861 -2.440 -3.792 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.227 -5.863 -5.272 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.729 -3.528 -2.038 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.097 -7.845 -4.366 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.411 -5.506 -1.135 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.210 -8.691 -2.312 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.081 -1.100 -3.263 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.564 0.276 -3.288 1.00 0.00 C ATOM 1332 C LEU A 89 -3.544 1.223 -2.663 1.00 0.00 C ATOM 1333 O LEU A 89 -2.595 0.785 -2.011 1.00 0.00 O ATOM 1334 CB LEU A 89 -5.897 0.384 -2.546 1.00 0.00 C ATOM 1335 CG LEU A 89 -7.041 1.046 -3.315 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.327 0.252 -3.148 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.235 2.482 -2.849 1.00 0.00 C ATOM 0 H LEU A 89 -3.534 -1.340 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.710 0.564 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.212 -0.619 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.733 0.944 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.782 1.059 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.130 0.739 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.183 -0.759 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.592 0.206 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.053 2.938 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.472 2.490 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.319 3.047 -3.021 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.747 2.520 -2.864 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.845 3.529 -2.319 1.00 0.00 C ATOM 1351 C CYS A 90 -3.531 4.889 -2.249 1.00 0.00 C ATOM 1352 O CYS A 90 -3.493 5.664 -3.204 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.579 3.625 -3.171 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.103 4.111 -2.247 1.00 0.00 S ATOM 0 H CYS A 90 -4.528 2.898 -3.400 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.571 3.228 -1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.398 2.659 -3.643 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.747 4.345 -3.972 1.00 0.00 H new ATOM 0 HG CYS A 90 0.527 3.047 -1.844 1.00 0.00 H new ATOM 1360 N MET A 91 -4.158 5.172 -1.112 1.00 0.00 N ATOM 1361 CA MET A 91 -4.853 6.440 -0.918 1.00 0.00 C ATOM 1362 C MET A 91 -3.951 7.452 -0.218 1.00 0.00 C ATOM 1363 O MET A 91 -3.480 7.213 0.894 1.00 0.00 O ATOM 1364 CB MET A 91 -6.129 6.226 -0.102 1.00 0.00 C ATOM 1365 CG MET A 91 -6.980 5.068 -0.597 1.00 0.00 C ATOM 1366 SD MET A 91 -8.615 5.034 0.163 1.00 0.00 S ATOM 1367 CE MET A 91 -8.312 3.969 1.571 1.00 0.00 C ATOM 0 H MET A 91 -4.199 4.541 -0.311 1.00 0.00 H new ATOM 0 HA MET A 91 -5.119 6.835 -1.899 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.859 6.049 0.939 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.723 7.139 -0.126 1.00 0.00 H new ATOM 0 HG2 MET A 91 -7.088 5.138 -1.679 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.467 4.129 -0.388 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.168 4.005 2.245 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.164 2.945 1.228 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.420 4.308 2.098 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.716 8.582 -0.877 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.870 9.630 -0.318 1.00 0.00 C ATOM 1379 C CYS A 92 -3.608 10.964 -0.284 1.00 0.00 C ATOM 1380 O CYS A 92 -3.629 11.699 -1.271 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.583 9.765 -1.134 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.477 11.073 -0.557 1.00 0.00 S ATOM 0 H CYS A 92 -4.099 8.795 -1.798 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.615 9.351 0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.049 8.815 -1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.844 9.957 -2.175 1.00 0.00 H new ATOM 0 HG CYS A 92 -0.315 10.968 0.729 1.00 0.00 H new ATOM 1388 N GLY A 93 -4.214 11.271 0.859 1.00 0.00 N ATOM 1389 CA GLY A 93 -4.947 12.515 0.999 1.00 0.00 C ATOM 1390 C GLY A 93 -6.354 12.426 0.442 1.00 0.00 C ATOM 1391 O GLY A 93 -7.324 12.341 1.194 1.00 0.00 O ATOM 0 H GLY A 93 -4.210 10.680 1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.994 12.789 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.407 13.311 0.487 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.466 12.447 -0.882 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.763 12.369 -1.542 1.00 0.00 C ATOM 1397 C LYS A 94 -7.735 11.353 -2.680 1.00 0.00 C ATOM 1398 O LYS A 94 -8.554 10.436 -2.725 1.00 0.00 O ATOM 1399 CB LYS A 94 -8.169 13.742 -2.081 1.00 0.00 C ATOM 1400 CG LYS A 94 -9.408 14.316 -1.416 1.00 0.00 C ATOM 1401 CD LYS A 94 -10.630 14.190 -2.310 1.00 0.00 C ATOM 1402 CE LYS A 94 -11.261 12.811 -2.201 1.00 0.00 C ATOM 1403 NZ LYS A 94 -12.635 12.874 -1.630 1.00 0.00 N ATOM 0 H LYS A 94 -5.673 12.517 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.497 12.043 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.340 14.436 -1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.346 13.664 -3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.590 13.798 -0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.239 15.365 -1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.363 14.949 -2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.346 14.380 -3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.299 12.350 -3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.636 12.174 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.031 11.914 -1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.597 13.291 -0.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.238 13.461 -2.241 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.786 11.523 -3.595 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.652 10.619 -4.732 1.00 0.00 C ATOM 1419 C GLU A 95 -6.374 9.193 -4.263 1.00 0.00 C ATOM 1420 O GLU A 95 -6.097 8.958 -3.087 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.529 11.091 -5.657 1.00 0.00 C ATOM 1422 CG GLU A 95 -5.990 12.071 -6.724 1.00 0.00 C ATOM 1423 CD GLU A 95 -6.639 11.380 -7.908 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -7.595 10.607 -7.694 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -6.189 11.614 -9.049 1.00 0.00 O ATOM 0 H GLU A 95 -6.099 12.277 -3.572 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.593 10.626 -5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.749 11.560 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.080 10.224 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.698 12.774 -6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.136 12.653 -7.071 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.451 8.246 -5.193 1.00 0.00 N ATOM 1433 CA ARG A 96 -6.210 6.844 -4.876 1.00 0.00 C ATOM 1434 C ARG A 96 -6.005 6.026 -6.148 1.00 0.00 C ATOM 1435 O ARG A 96 -6.673 6.251 -7.158 1.00 0.00 O ATOM 1436 CB ARG A 96 -7.379 6.272 -4.072 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.675 6.182 -4.861 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.808 5.632 -4.010 1.00 0.00 C ATOM 1439 NE ARG A 96 -11.079 6.294 -4.297 1.00 0.00 N ATOM 1440 CZ ARG A 96 -11.820 6.028 -5.367 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -11.421 5.120 -6.246 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -12.964 6.672 -5.558 1.00 0.00 N ATOM 0 H ARG A 96 -6.678 8.425 -6.171 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.302 6.785 -4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.111 5.278 -3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.542 6.894 -3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.945 7.170 -5.233 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.529 5.542 -5.731 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.908 4.561 -4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.563 5.758 -2.955 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.415 6.998 -3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.542 4.623 -6.102 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.993 4.919 -7.066 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.274 7.371 -4.883 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.533 6.468 -6.380 1.00 0.00 H new ATOM 1456 N THR A 97 -5.076 5.077 -6.092 1.00 0.00 N ATOM 1457 CA THR A 97 -4.782 4.227 -7.239 1.00 0.00 C ATOM 1458 C THR A 97 -4.722 2.759 -6.834 1.00 0.00 C ATOM 1459 O THR A 97 -4.152 2.413 -5.799 1.00 0.00 O ATOM 1460 CB THR A 97 -3.448 4.620 -7.902 1.00 0.00 C ATOM 1461 OG1 THR A 97 -3.100 3.662 -8.908 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.335 4.706 -6.869 1.00 0.00 C ATOM 0 H THR A 97 -4.514 4.878 -5.264 1.00 0.00 H new ATOM 0 HA THR A 97 -5.591 4.371 -7.955 1.00 0.00 H new ATOM 0 HB THR A 97 -3.571 5.600 -8.362 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.728 4.126 -9.687 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.403 4.985 -7.361 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.590 5.457 -6.121 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.213 3.738 -6.384 1.00 0.00 H new ATOM 1470 N SER A 98 -5.313 1.898 -7.657 1.00 0.00 N ATOM 1471 CA SER A 98 -5.329 0.466 -7.383 1.00 0.00 C ATOM 1472 C SER A 98 -4.713 -0.316 -8.540 1.00 0.00 C ATOM 1473 O SER A 98 -4.862 0.056 -9.703 1.00 0.00 O ATOM 1474 CB SER A 98 -6.761 -0.011 -7.135 1.00 0.00 C ATOM 1475 OG SER A 98 -7.695 0.798 -7.828 1.00 0.00 O ATOM 0 H SER A 98 -5.787 2.168 -8.519 1.00 0.00 H new ATOM 0 HA SER A 98 -4.733 0.286 -6.488 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.863 -1.047 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.976 0.014 -6.067 1.00 0.00 H new ATOM 0 HG SER A 98 -8.603 0.472 -7.655 1.00 0.00 H new ATOM 1481 N ALA A 99 -4.021 -1.401 -8.210 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.384 -2.237 -9.220 1.00 0.00 C ATOM 1483 C ALA A 99 -3.805 -3.695 -9.071 1.00 0.00 C ATOM 1484 O ALA A 99 -4.554 -4.044 -8.159 1.00 0.00 O ATOM 1485 CB ALA A 99 -1.870 -2.111 -9.131 1.00 0.00 C ATOM 0 H ALA A 99 -3.887 -1.722 -7.251 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.709 -1.891 -10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.407 -2.741 -9.891 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.581 -1.073 -9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.536 -2.429 -8.143 1.00 0.00 H new ATOM 1491 N MET A 100 -3.318 -4.542 -9.972 1.00 0.00 N ATOM 1492 CA MET A 100 -3.644 -5.963 -9.940 1.00 0.00 C ATOM 1493 C MET A 100 -2.377 -6.812 -9.951 1.00 0.00 C ATOM 1494 O MET A 100 -1.750 -6.996 -10.995 1.00 0.00 O ATOM 1495 CB MET A 100 -4.530 -6.332 -11.131 1.00 0.00 C ATOM 1496 CG MET A 100 -6.007 -6.055 -10.900 1.00 0.00 C ATOM 1497 SD MET A 100 -7.020 -7.541 -11.025 1.00 0.00 S ATOM 1498 CE MET A 100 -6.409 -8.487 -9.632 1.00 0.00 C ATOM 0 H MET A 100 -2.696 -4.269 -10.733 1.00 0.00 H new ATOM 0 HA MET A 100 -4.187 -6.165 -9.017 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.197 -5.775 -12.007 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.398 -7.390 -11.357 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.140 -5.612 -9.913 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.353 -5.322 -11.628 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.793 -9.506 -9.687 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.319 -8.508 -9.656 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.742 -8.024 -8.703 1.00 0.00 H new ATOM 1508 N LEU A 101 -2.005 -7.326 -8.784 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.811 -8.156 -8.660 1.00 0.00 C ATOM 1510 C LEU A 101 -1.134 -9.620 -8.942 1.00 0.00 C ATOM 1511 O LEU A 101 -2.020 -10.203 -8.317 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.212 -8.015 -7.260 1.00 0.00 C ATOM 1513 CG LEU A 101 1.075 -8.799 -6.998 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.221 -8.235 -7.823 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.421 -8.777 -5.516 1.00 0.00 C ATOM 0 H LEU A 101 -2.512 -7.183 -7.911 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.083 -7.815 -9.396 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.014 -6.959 -7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.960 -8.331 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 101 0.914 -9.835 -7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.128 -8.805 -7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.975 -8.304 -8.883 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.383 -7.191 -7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.339 -9.340 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.562 -7.746 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.609 -9.229 -4.946 1.00 0.00 H new ATOM 1527 N THR A 102 -0.407 -10.209 -9.886 1.00 0.00 N ATOM 1528 CA THR A 102 -0.615 -11.605 -10.251 1.00 0.00 C ATOM 1529 C THR A 102 0.553 -12.472 -9.794 1.00 0.00 C ATOM 1530 O THR A 102 1.712 -12.172 -10.083 1.00 0.00 O ATOM 1531 CB THR A 102 -0.797 -11.768 -11.772 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.928 -11.010 -12.213 1.00 0.00 O ATOM 1533 CG2 THR A 102 -0.984 -13.231 -12.141 1.00 0.00 C ATOM 0 H THR A 102 0.331 -9.741 -10.412 1.00 0.00 H new ATOM 0 HA THR A 102 -1.525 -11.931 -9.748 1.00 0.00 H new ATOM 0 HB THR A 102 0.102 -11.399 -12.265 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.036 -11.117 -13.181 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.111 -13.321 -13.220 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.108 -13.800 -11.830 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.868 -13.623 -11.638 1.00 0.00 H new ATOM 1541 N VAL A 103 0.241 -13.549 -9.081 1.00 0.00 N ATOM 1542 CA VAL A 103 1.265 -14.462 -8.586 1.00 0.00 C ATOM 1543 C VAL A 103 1.170 -15.820 -9.273 1.00 0.00 C ATOM 1544 O VAL A 103 0.259 -16.602 -9.000 1.00 0.00 O ATOM 1545 CB VAL A 103 1.151 -14.660 -7.063 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.208 -15.638 -6.571 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.272 -13.326 -6.342 1.00 0.00 C ATOM 0 H VAL A 103 -0.713 -13.811 -8.833 1.00 0.00 H new ATOM 0 HA VAL A 103 2.230 -14.010 -8.815 1.00 0.00 H new ATOM 0 HB VAL A 103 0.170 -15.080 -6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.112 -15.765 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.071 -16.600 -7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.200 -15.250 -6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.189 -13.485 -5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.239 -12.876 -6.569 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.475 -12.660 -6.673 1.00 0.00 H new ATOM 1557 N ARG A 104 2.115 -16.093 -10.166 1.00 0.00 N ATOM 1558 CA ARG A 104 2.138 -17.356 -10.892 1.00 0.00 C ATOM 1559 C ARG A 104 2.559 -18.502 -9.978 1.00 0.00 C ATOM 1560 O ARG A 104 2.739 -18.315 -8.775 1.00 0.00 O ATOM 1561 CB ARG A 104 3.091 -17.266 -12.086 1.00 0.00 C ATOM 1562 CG ARG A 104 2.760 -16.133 -13.045 1.00 0.00 C ATOM 1563 CD ARG A 104 2.310 -16.663 -14.397 1.00 0.00 C ATOM 1564 NE ARG A 104 1.031 -17.364 -14.313 1.00 0.00 N ATOM 1565 CZ ARG A 104 0.592 -18.205 -15.243 1.00 0.00 C ATOM 1566 NH1 ARG A 104 1.324 -18.448 -16.321 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -0.582 -18.805 -15.094 1.00 0.00 N ATOM 0 H ARG A 104 2.875 -15.456 -10.404 1.00 0.00 H new ATOM 0 HA ARG A 104 1.129 -17.555 -11.254 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.109 -17.134 -11.719 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.068 -18.210 -12.630 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.974 -15.510 -12.617 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.636 -15.497 -13.175 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.224 -15.835 -15.100 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.068 -17.339 -14.792 1.00 0.00 H new ATOM 0 HE ARG A 104 0.443 -17.199 -13.496 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.227 -17.989 -16.438 1.00 0.00 H new ATOM 0 HH12 ARG A 104 0.984 -19.094 -17.033 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -1.147 -18.621 -14.265 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.919 -19.451 -15.808 1.00 0.00 H new ATOM 1581 N ALA A 105 2.714 -19.689 -10.556 1.00 0.00 N ATOM 1582 CA ALA A 105 3.115 -20.864 -9.794 1.00 0.00 C ATOM 1583 C ALA A 105 4.571 -21.226 -10.068 1.00 0.00 C ATOM 1584 O ALA A 105 5.094 -20.956 -11.149 1.00 0.00 O ATOM 1585 CB ALA A 105 2.207 -22.041 -10.121 1.00 0.00 C ATOM 0 H ALA A 105 2.568 -19.862 -11.551 1.00 0.00 H new ATOM 0 HA ALA A 105 3.019 -20.628 -8.734 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.518 -22.912 -9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.177 -21.788 -9.868 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.274 -22.268 -11.185 1.00 0.00 H new ATOM 1591 N MET A 106 5.219 -21.837 -9.082 1.00 0.00 N ATOM 1592 CA MET A 106 6.616 -22.236 -9.218 1.00 0.00 C ATOM 1593 C MET A 106 6.826 -23.055 -10.488 1.00 0.00 C ATOM 1594 O MET A 106 5.887 -23.607 -11.061 1.00 0.00 O ATOM 1595 CB MET A 106 7.059 -23.043 -7.997 1.00 0.00 C ATOM 1596 CG MET A 106 7.865 -22.234 -6.993 1.00 0.00 C ATOM 1597 SD MET A 106 9.010 -23.250 -6.041 1.00 0.00 S ATOM 1598 CE MET A 106 8.123 -23.400 -4.493 1.00 0.00 C ATOM 0 H MET A 106 4.800 -22.067 -8.181 1.00 0.00 H new ATOM 0 HA MET A 106 7.222 -21.332 -9.286 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.177 -23.448 -7.500 1.00 0.00 H new ATOM 0 HB3 MET A 106 7.656 -23.892 -8.330 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.424 -21.461 -7.520 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.183 -21.726 -6.311 1.00 0.00 H new ATOM 0 HE1 MET A 106 8.705 -24.004 -3.797 1.00 0.00 H new ATOM 0 HE2 MET A 106 7.963 -22.409 -4.068 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.160 -23.879 -4.670 1.00 0.00 H new ATOM 1608 N PRO A 107 8.086 -23.137 -10.938 1.00 0.00 N ATOM 1609 CA PRO A 107 8.449 -23.887 -12.144 1.00 0.00 C ATOM 1610 C PRO A 107 8.316 -25.394 -11.952 1.00 0.00 C ATOM 1611 O PRO A 107 7.790 -25.856 -10.939 1.00 0.00 O ATOM 1612 CB PRO A 107 9.913 -23.505 -12.374 1.00 0.00 C ATOM 1613 CG PRO A 107 10.421 -23.124 -11.026 1.00 0.00 C ATOM 1614 CD PRO A 107 9.255 -22.504 -10.305 1.00 0.00 C ATOM 0 HA PRO A 107 7.795 -23.648 -12.983 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.479 -24.339 -12.789 1.00 0.00 H new ATOM 0 HB3 PRO A 107 10.000 -22.678 -13.078 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.794 -23.996 -10.488 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.250 -22.420 -11.106 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.291 -22.706 -9.235 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.239 -21.421 -10.424 1.00 0.00 H new ATOM 1622 N SER A 108 8.796 -26.156 -12.929 1.00 0.00 N ATOM 1623 CA SER A 108 8.727 -27.611 -12.868 1.00 0.00 C ATOM 1624 C SER A 108 9.842 -28.171 -11.990 1.00 0.00 C ATOM 1625 O SER A 108 10.607 -27.421 -11.386 1.00 0.00 O ATOM 1626 CB SER A 108 8.822 -28.207 -14.275 1.00 0.00 C ATOM 1627 OG SER A 108 7.742 -29.087 -14.529 1.00 0.00 O ATOM 0 H SER A 108 9.237 -25.790 -13.773 1.00 0.00 H new ATOM 0 HA SER A 108 7.768 -27.887 -12.428 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.824 -27.405 -15.014 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.765 -28.743 -14.384 1.00 0.00 H new ATOM 0 HG SER A 108 7.824 -29.453 -15.434 1.00 0.00 H new ATOM 1633 N GLY A 109 9.927 -29.496 -11.925 1.00 0.00 N ATOM 1634 CA GLY A 109 10.950 -30.136 -11.119 1.00 0.00 C ATOM 1635 C GLY A 109 10.402 -30.689 -9.819 1.00 0.00 C ATOM 1636 O GLY A 109 9.262 -30.423 -9.438 1.00 0.00 O ATOM 0 H GLY A 109 9.305 -30.138 -12.416 1.00 0.00 H new ATOM 0 HA2 GLY A 109 11.406 -30.944 -11.691 1.00 0.00 H new ATOM 0 HA3 GLY A 109 11.739 -29.416 -10.900 1.00 0.00 H new ATOM 1640 N PRO A 110 11.225 -31.480 -9.114 1.00 0.00 N ATOM 1641 CA PRO A 110 10.837 -32.090 -7.839 1.00 0.00 C ATOM 1642 C PRO A 110 10.709 -31.061 -6.720 1.00 0.00 C ATOM 1643 O PRO A 110 11.696 -30.454 -6.306 1.00 0.00 O ATOM 1644 CB PRO A 110 11.985 -33.058 -7.545 1.00 0.00 C ATOM 1645 CG PRO A 110 13.155 -32.492 -8.273 1.00 0.00 C ATOM 1646 CD PRO A 110 12.597 -31.840 -9.508 1.00 0.00 C ATOM 0 HA PRO A 110 9.860 -32.570 -7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 110 12.180 -33.127 -6.475 1.00 0.00 H new ATOM 0 HB3 PRO A 110 11.752 -34.065 -7.892 1.00 0.00 H new ATOM 0 HG2 PRO A 110 13.686 -31.768 -7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 110 13.869 -33.274 -8.533 1.00 0.00 H new ATOM 0 HD2 PRO A 110 13.176 -30.962 -9.795 1.00 0.00 H new ATOM 0 HD3 PRO A 110 12.605 -32.520 -10.360 1.00 0.00 H new ATOM 1654 N SER A 111 9.486 -30.871 -6.235 1.00 0.00 N ATOM 1655 CA SER A 111 9.228 -29.913 -5.166 1.00 0.00 C ATOM 1656 C SER A 111 8.423 -30.558 -4.041 1.00 0.00 C ATOM 1657 O SER A 111 7.508 -31.343 -4.290 1.00 0.00 O ATOM 1658 CB SER A 111 8.479 -28.696 -5.712 1.00 0.00 C ATOM 1659 OG SER A 111 8.014 -28.933 -7.030 1.00 0.00 O ATOM 0 H SER A 111 8.658 -31.368 -6.565 1.00 0.00 H new ATOM 0 HA SER A 111 10.187 -29.589 -4.763 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.636 -28.462 -5.062 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.137 -27.827 -5.706 1.00 0.00 H new ATOM 0 HG SER A 111 7.537 -28.141 -7.356 1.00 0.00 H new ATOM 1665 N SER A 112 8.771 -30.220 -2.804 1.00 0.00 N ATOM 1666 CA SER A 112 8.084 -30.768 -1.640 1.00 0.00 C ATOM 1667 C SER A 112 8.386 -29.943 -0.393 1.00 0.00 C ATOM 1668 O SER A 112 9.351 -30.209 0.322 1.00 0.00 O ATOM 1669 CB SER A 112 8.498 -32.223 -1.416 1.00 0.00 C ATOM 1670 OG SER A 112 7.629 -33.111 -2.097 1.00 0.00 O ATOM 0 H SER A 112 9.524 -29.569 -2.582 1.00 0.00 H new ATOM 0 HA SER A 112 7.011 -30.728 -1.829 1.00 0.00 H new ATOM 0 HB2 SER A 112 9.520 -32.371 -1.764 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.489 -32.447 -0.349 1.00 0.00 H new ATOM 0 HG SER A 112 7.391 -32.732 -2.969 1.00 0.00 H new ATOM 1676 N GLY A 113 7.552 -28.939 -0.138 1.00 0.00 N ATOM 1677 CA GLY A 113 7.747 -28.090 1.023 1.00 0.00 C ATOM 1678 C GLY A 113 6.974 -26.789 0.925 1.00 0.00 C ATOM 1679 O GLY A 113 6.762 -26.109 1.929 1.00 0.00 O ATOM 0 H GLY A 113 6.745 -28.699 -0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.436 -28.627 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 113 8.809 -27.871 1.135 1.00 0.00 H new TER 1683 GLY A 113