USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HE2 : A 58 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.611 USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.00633 (180deg=0) USER MOD Single : A 2 SER OG : rot 21:sc= 1.15 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00785 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc=-0.00707 USER MOD Single : A 12 GLN : amide:sc=-0.00892 K(o=-0.0089,f=-2.2!) USER MOD Single : A 13 SER OG : rot 28:sc= 0.772 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.0457 (180deg=-0.449) USER MOD Single : A 24 LYS NZ :NH3+ -118:sc= -1.3 (180deg=-5.27!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -4.54! C(o=-4.5!,f=-8.9!) USER MOD Single : A 30 MET CE :methyl -174:sc= -0.553 (180deg=-0.613) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc=-0.00132 (180deg=-0.141) USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= -0.112 (180deg=-0.497) USER MOD Single : A 38 THR OG1 : rot 6:sc= 1.13 USER MOD Single : A 46 ASN : amide:sc= -6.11! C(o=-6.1!,f=-7!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0635) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.197 F(o=-1.4,f=-0.2) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.303 -11.487 -35.540 1.00 0.00 N ATOM 2 CA GLY A 1 17.112 -10.648 -34.675 1.00 0.00 C ATOM 3 C GLY A 1 17.630 -9.413 -35.386 1.00 0.00 C ATOM 4 O GLY A 1 17.983 -9.468 -36.564 1.00 0.00 O ATOM 0 H1 GLY A 1 16.432 -12.485 -35.276 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.301 -11.228 -35.437 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.596 -11.350 -36.529 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.521 -10.345 -33.811 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.955 -11.227 -34.297 1.00 0.00 H new ATOM 8 N SER A 2 17.674 -8.294 -34.668 1.00 0.00 N ATOM 9 CA SER A 2 18.147 -7.038 -35.239 1.00 0.00 C ATOM 10 C SER A 2 18.459 -6.026 -34.141 1.00 0.00 C ATOM 11 O SER A 2 18.148 -6.248 -32.971 1.00 0.00 O ATOM 12 CB SER A 2 17.101 -6.463 -36.196 1.00 0.00 C ATOM 13 OG SER A 2 17.165 -7.097 -37.462 1.00 0.00 O ATOM 0 H SER A 2 17.388 -8.232 -33.691 1.00 0.00 H new ATOM 0 HA SER A 2 19.063 -7.241 -35.793 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.105 -6.591 -35.771 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.261 -5.391 -36.314 1.00 0.00 H new ATOM 0 HG SER A 2 17.610 -7.965 -37.371 1.00 0.00 H new ATOM 19 N SER A 3 19.077 -4.915 -34.528 1.00 0.00 N ATOM 20 CA SER A 3 19.436 -3.869 -33.577 1.00 0.00 C ATOM 21 C SER A 3 19.511 -2.510 -34.266 1.00 0.00 C ATOM 22 O SER A 3 19.373 -2.411 -35.485 1.00 0.00 O ATOM 23 CB SER A 3 20.777 -4.192 -32.914 1.00 0.00 C ATOM 24 OG SER A 3 20.867 -3.599 -31.630 1.00 0.00 O ATOM 0 H SER A 3 19.340 -4.716 -35.493 1.00 0.00 H new ATOM 0 HA SER A 3 18.661 -3.826 -32.812 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.893 -5.272 -32.828 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.592 -3.833 -33.542 1.00 0.00 H new ATOM 0 HG SER A 3 21.732 -3.822 -31.227 1.00 0.00 H new ATOM 30 N GLY A 4 19.730 -1.464 -33.476 1.00 0.00 N ATOM 31 CA GLY A 4 19.819 -0.124 -34.026 1.00 0.00 C ATOM 32 C GLY A 4 20.697 0.788 -33.192 1.00 0.00 C ATOM 33 O GLY A 4 21.250 0.369 -32.176 1.00 0.00 O ATOM 0 H GLY A 4 19.847 -1.520 -32.464 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.215 -0.176 -35.040 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.819 0.304 -34.096 1.00 0.00 H new ATOM 37 N SER A 5 20.825 2.039 -33.623 1.00 0.00 N ATOM 38 CA SER A 5 21.646 3.012 -32.912 1.00 0.00 C ATOM 39 C SER A 5 21.498 4.401 -33.526 1.00 0.00 C ATOM 40 O SER A 5 21.080 4.542 -34.675 1.00 0.00 O ATOM 41 CB SER A 5 23.115 2.586 -32.936 1.00 0.00 C ATOM 42 OG SER A 5 23.899 3.408 -32.089 1.00 0.00 O ATOM 0 H SER A 5 20.371 2.402 -34.461 1.00 0.00 H new ATOM 0 HA SER A 5 21.303 3.052 -31.878 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.200 1.546 -32.620 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.496 2.641 -33.956 1.00 0.00 H new ATOM 0 HG SER A 5 24.833 3.114 -32.121 1.00 0.00 H new ATOM 48 N SER A 6 21.843 5.424 -32.751 1.00 0.00 N ATOM 49 CA SER A 6 21.745 6.802 -33.216 1.00 0.00 C ATOM 50 C SER A 6 22.377 7.761 -32.211 1.00 0.00 C ATOM 51 O SER A 6 22.236 7.591 -31.001 1.00 0.00 O ATOM 52 CB SER A 6 20.281 7.181 -33.448 1.00 0.00 C ATOM 53 OG SER A 6 19.577 7.272 -32.222 1.00 0.00 O ATOM 0 H SER A 6 22.193 5.324 -31.798 1.00 0.00 H new ATOM 0 HA SER A 6 22.287 6.881 -34.158 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.228 8.135 -33.973 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.807 6.438 -34.089 1.00 0.00 H new ATOM 0 HG SER A 6 18.645 7.517 -32.398 1.00 0.00 H new ATOM 59 N GLY A 7 23.075 8.770 -32.724 1.00 0.00 N ATOM 60 CA GLY A 7 23.719 9.741 -31.859 1.00 0.00 C ATOM 61 C GLY A 7 24.384 9.097 -30.658 1.00 0.00 C ATOM 62 O GLY A 7 24.633 7.892 -30.632 1.00 0.00 O ATOM 0 H GLY A 7 23.206 8.932 -33.723 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.465 10.294 -32.430 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.979 10.465 -31.516 1.00 0.00 H new ATOM 66 N PRO A 8 24.685 9.912 -29.636 1.00 0.00 N ATOM 67 CA PRO A 8 24.394 11.348 -29.657 1.00 0.00 C ATOM 68 C PRO A 8 25.275 12.104 -30.646 1.00 0.00 C ATOM 69 O PRO A 8 26.128 11.514 -31.308 1.00 0.00 O ATOM 70 CB PRO A 8 24.696 11.792 -28.223 1.00 0.00 C ATOM 71 CG PRO A 8 25.683 10.797 -27.719 1.00 0.00 C ATOM 72 CD PRO A 8 25.332 9.493 -28.381 1.00 0.00 C ATOM 0 HA PRO A 8 23.371 11.552 -29.975 1.00 0.00 H new ATOM 0 HB2 PRO A 8 25.105 12.802 -28.199 1.00 0.00 H new ATOM 0 HB3 PRO A 8 23.793 11.799 -27.612 1.00 0.00 H new ATOM 0 HG2 PRO A 8 26.701 11.098 -27.966 1.00 0.00 H new ATOM 0 HG3 PRO A 8 25.630 10.710 -26.634 1.00 0.00 H new ATOM 0 HD2 PRO A 8 26.218 8.886 -28.568 1.00 0.00 H new ATOM 0 HD3 PRO A 8 24.662 8.896 -27.763 1.00 0.00 H new ATOM 80 N SER A 9 25.063 13.413 -30.740 1.00 0.00 N ATOM 81 CA SER A 9 25.836 14.249 -31.651 1.00 0.00 C ATOM 82 C SER A 9 26.374 15.482 -30.932 1.00 0.00 C ATOM 83 O SER A 9 27.585 15.684 -30.843 1.00 0.00 O ATOM 84 CB SER A 9 24.974 14.674 -32.842 1.00 0.00 C ATOM 85 OG SER A 9 23.754 15.250 -32.409 1.00 0.00 O ATOM 0 H SER A 9 24.362 13.917 -30.197 1.00 0.00 H new ATOM 0 HA SER A 9 26.681 13.664 -32.014 1.00 0.00 H new ATOM 0 HB2 SER A 9 25.521 15.391 -33.454 1.00 0.00 H new ATOM 0 HB3 SER A 9 24.768 13.809 -33.473 1.00 0.00 H new ATOM 0 HG SER A 9 23.222 15.515 -33.189 1.00 0.00 H new ATOM 91 N SER A 10 25.464 16.305 -30.420 1.00 0.00 N ATOM 92 CA SER A 10 25.846 17.522 -29.712 1.00 0.00 C ATOM 93 C SER A 10 24.630 18.177 -29.064 1.00 0.00 C ATOM 94 O SER A 10 23.507 18.046 -29.551 1.00 0.00 O ATOM 95 CB SER A 10 26.519 18.505 -30.671 1.00 0.00 C ATOM 96 OG SER A 10 27.461 19.317 -29.991 1.00 0.00 O ATOM 0 H SER A 10 24.458 16.151 -30.482 1.00 0.00 H new ATOM 0 HA SER A 10 26.552 17.251 -28.927 1.00 0.00 H new ATOM 0 HB2 SER A 10 27.017 17.955 -31.470 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.763 19.135 -31.141 1.00 0.00 H new ATOM 0 HG SER A 10 27.879 19.936 -30.626 1.00 0.00 H new ATOM 102 N SER A 11 24.863 18.883 -27.962 1.00 0.00 N ATOM 103 CA SER A 11 23.787 19.557 -27.244 1.00 0.00 C ATOM 104 C SER A 11 24.343 20.408 -26.106 1.00 0.00 C ATOM 105 O SER A 11 25.153 19.940 -25.307 1.00 0.00 O ATOM 106 CB SER A 11 22.795 18.532 -26.692 1.00 0.00 C ATOM 107 OG SER A 11 23.310 17.895 -25.536 1.00 0.00 O ATOM 0 H SER A 11 25.787 19.003 -27.547 1.00 0.00 H new ATOM 0 HA SER A 11 23.270 20.212 -27.945 1.00 0.00 H new ATOM 0 HB2 SER A 11 21.854 19.026 -26.450 1.00 0.00 H new ATOM 0 HB3 SER A 11 22.576 17.785 -27.455 1.00 0.00 H new ATOM 0 HG SER A 11 22.656 17.246 -25.202 1.00 0.00 H new ATOM 113 N GLN A 12 23.902 21.660 -26.042 1.00 0.00 N ATOM 114 CA GLN A 12 24.356 22.577 -25.003 1.00 0.00 C ATOM 115 C GLN A 12 23.264 22.804 -23.963 1.00 0.00 C ATOM 116 O GLN A 12 22.482 23.749 -24.065 1.00 0.00 O ATOM 117 CB GLN A 12 24.775 23.912 -25.620 1.00 0.00 C ATOM 118 CG GLN A 12 26.017 23.818 -26.490 1.00 0.00 C ATOM 119 CD GLN A 12 27.300 23.945 -25.693 1.00 0.00 C ATOM 120 OE1 GLN A 12 27.473 23.289 -24.665 1.00 0.00 O ATOM 121 NE2 GLN A 12 28.208 24.792 -26.163 1.00 0.00 N ATOM 0 H GLN A 12 23.231 22.063 -26.697 1.00 0.00 H new ATOM 0 HA GLN A 12 25.217 22.128 -24.507 1.00 0.00 H new ATOM 0 HB2 GLN A 12 23.951 24.300 -26.219 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.955 24.631 -24.821 1.00 0.00 H new ATOM 0 HG2 GLN A 12 26.015 22.864 -27.018 1.00 0.00 H new ATOM 0 HG3 GLN A 12 25.985 24.601 -27.247 1.00 0.00 H new ATOM 0 HE21 GLN A 12 28.023 25.315 -27.019 1.00 0.00 H new ATOM 0 HE22 GLN A 12 29.091 24.919 -25.668 1.00 0.00 H new ATOM 130 N SER A 13 23.216 21.930 -22.962 1.00 0.00 N ATOM 131 CA SER A 13 22.218 22.033 -21.904 1.00 0.00 C ATOM 132 C SER A 13 22.564 21.112 -20.738 1.00 0.00 C ATOM 133 O SER A 13 22.447 19.892 -20.841 1.00 0.00 O ATOM 134 CB SER A 13 20.831 21.685 -22.448 1.00 0.00 C ATOM 135 OG SER A 13 20.793 20.356 -22.938 1.00 0.00 O ATOM 0 H SER A 13 23.857 21.143 -22.862 1.00 0.00 H new ATOM 0 HA SER A 13 22.213 23.061 -21.543 1.00 0.00 H new ATOM 0 HB2 SER A 13 20.087 21.807 -21.661 1.00 0.00 H new ATOM 0 HB3 SER A 13 20.566 22.378 -23.247 1.00 0.00 H new ATOM 0 HG SER A 13 21.447 19.810 -22.453 1.00 0.00 H new ATOM 141 N GLU A 14 22.993 21.708 -19.629 1.00 0.00 N ATOM 142 CA GLU A 14 23.358 20.941 -18.444 1.00 0.00 C ATOM 143 C GLU A 14 22.127 20.631 -17.596 1.00 0.00 C ATOM 144 O GLU A 14 22.195 20.614 -16.368 1.00 0.00 O ATOM 145 CB GLU A 14 24.385 21.709 -17.609 1.00 0.00 C ATOM 146 CG GLU A 14 23.850 23.009 -17.031 1.00 0.00 C ATOM 147 CD GLU A 14 24.940 23.867 -16.418 1.00 0.00 C ATOM 148 OE1 GLU A 14 25.720 24.470 -17.184 1.00 0.00 O ATOM 149 OE2 GLU A 14 25.013 23.934 -15.174 1.00 0.00 O ATOM 0 H GLU A 14 23.096 22.718 -19.527 1.00 0.00 H new ATOM 0 HA GLU A 14 23.798 20.000 -18.773 1.00 0.00 H new ATOM 0 HB2 GLU A 14 24.727 21.072 -16.793 1.00 0.00 H new ATOM 0 HB3 GLU A 14 25.255 21.927 -18.229 1.00 0.00 H new ATOM 0 HG2 GLU A 14 23.348 23.573 -17.818 1.00 0.00 H new ATOM 0 HG3 GLU A 14 23.100 22.784 -16.272 1.00 0.00 H new ATOM 156 N GLU A 15 21.003 20.387 -18.263 1.00 0.00 N ATOM 157 CA GLU A 15 19.757 20.079 -17.571 1.00 0.00 C ATOM 158 C GLU A 15 19.824 18.702 -16.916 1.00 0.00 C ATOM 159 O GLU A 15 19.474 17.693 -17.528 1.00 0.00 O ATOM 160 CB GLU A 15 18.579 20.135 -18.546 1.00 0.00 C ATOM 161 CG GLU A 15 18.178 21.547 -18.936 1.00 0.00 C ATOM 162 CD GLU A 15 16.876 21.591 -19.712 1.00 0.00 C ATOM 163 OE1 GLU A 15 16.549 20.588 -20.380 1.00 0.00 O ATOM 164 OE2 GLU A 15 16.184 22.629 -19.651 1.00 0.00 O ATOM 0 H GLU A 15 20.930 20.397 -19.280 1.00 0.00 H new ATOM 0 HA GLU A 15 19.610 20.826 -16.791 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.837 19.578 -19.447 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.722 19.634 -18.096 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.081 22.155 -18.036 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.970 21.993 -19.538 1.00 0.00 H new ATOM 171 N LYS A 16 20.278 18.669 -15.667 1.00 0.00 N ATOM 172 CA LYS A 16 20.391 17.419 -14.927 1.00 0.00 C ATOM 173 C LYS A 16 19.385 17.371 -13.782 1.00 0.00 C ATOM 174 O LYS A 16 19.290 18.306 -12.987 1.00 0.00 O ATOM 175 CB LYS A 16 21.811 17.253 -14.380 1.00 0.00 C ATOM 176 CG LYS A 16 22.798 16.715 -15.401 1.00 0.00 C ATOM 177 CD LYS A 16 22.464 15.287 -15.800 1.00 0.00 C ATOM 178 CE LYS A 16 23.697 14.541 -16.286 1.00 0.00 C ATOM 179 NZ LYS A 16 24.000 14.840 -17.713 1.00 0.00 N ATOM 0 H LYS A 16 20.574 19.495 -15.147 1.00 0.00 H new ATOM 0 HA LYS A 16 20.174 16.600 -15.612 1.00 0.00 H new ATOM 0 HB2 LYS A 16 22.166 18.217 -14.017 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.785 16.580 -13.523 1.00 0.00 H new ATOM 0 HG2 LYS A 16 22.792 17.352 -16.285 1.00 0.00 H new ATOM 0 HG3 LYS A 16 23.806 16.752 -14.989 1.00 0.00 H new ATOM 0 HD2 LYS A 16 22.032 14.762 -14.948 1.00 0.00 H new ATOM 0 HD3 LYS A 16 21.709 15.295 -16.586 1.00 0.00 H new ATOM 0 HE2 LYS A 16 24.553 14.813 -15.668 1.00 0.00 H new ATOM 0 HE3 LYS A 16 23.544 13.469 -16.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 24.847 14.312 -18.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.194 14.557 -18.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.171 15.860 -17.825 1.00 0.00 H new ATOM 193 N ALA A 17 18.637 16.275 -13.703 1.00 0.00 N ATOM 194 CA ALA A 17 17.641 16.104 -12.652 1.00 0.00 C ATOM 195 C ALA A 17 17.231 14.642 -12.517 1.00 0.00 C ATOM 196 O ALA A 17 17.366 13.845 -13.446 1.00 0.00 O ATOM 197 CB ALA A 17 16.423 16.972 -12.934 1.00 0.00 C ATOM 0 H ALA A 17 18.702 15.493 -14.354 1.00 0.00 H new ATOM 0 HA ALA A 17 18.087 16.417 -11.708 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.687 16.835 -12.142 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.723 18.019 -12.973 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.985 16.685 -13.890 1.00 0.00 H new ATOM 203 N PRO A 18 16.718 14.277 -11.332 1.00 0.00 N ATOM 204 CA PRO A 18 16.279 12.908 -11.047 1.00 0.00 C ATOM 205 C PRO A 18 15.018 12.532 -11.819 1.00 0.00 C ATOM 206 O PRO A 18 14.140 13.366 -12.035 1.00 0.00 O ATOM 207 CB PRO A 18 15.997 12.932 -9.543 1.00 0.00 C ATOM 208 CG PRO A 18 15.688 14.357 -9.238 1.00 0.00 C ATOM 209 CD PRO A 18 16.528 15.174 -10.180 1.00 0.00 C ATOM 0 HA PRO A 18 17.025 12.170 -11.343 1.00 0.00 H new ATOM 0 HB2 PRO A 18 15.160 12.282 -9.287 1.00 0.00 H new ATOM 0 HB3 PRO A 18 16.858 12.583 -8.973 1.00 0.00 H new ATOM 0 HG2 PRO A 18 14.628 14.565 -9.380 1.00 0.00 H new ATOM 0 HG3 PRO A 18 15.923 14.594 -8.200 1.00 0.00 H new ATOM 0 HD2 PRO A 18 16.026 16.098 -10.468 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.479 15.456 -9.729 1.00 0.00 H new ATOM 217 N GLU A 19 14.937 11.271 -12.231 1.00 0.00 N ATOM 218 CA GLU A 19 13.783 10.785 -12.979 1.00 0.00 C ATOM 219 C GLU A 19 12.488 11.061 -12.221 1.00 0.00 C ATOM 220 O GLU A 19 12.509 11.425 -11.044 1.00 0.00 O ATOM 221 CB GLU A 19 13.918 9.286 -13.252 1.00 0.00 C ATOM 222 CG GLU A 19 15.110 8.931 -14.125 1.00 0.00 C ATOM 223 CD GLU A 19 16.425 8.997 -13.373 1.00 0.00 C ATOM 224 OE1 GLU A 19 16.422 8.740 -12.150 1.00 0.00 O ATOM 225 OE2 GLU A 19 17.456 9.305 -14.005 1.00 0.00 O ATOM 0 H GLU A 19 15.656 10.568 -12.060 1.00 0.00 H new ATOM 0 HA GLU A 19 13.748 11.318 -13.929 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.004 8.759 -12.302 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.007 8.929 -13.733 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.975 7.926 -14.526 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.148 9.611 -14.976 1.00 0.00 H new ATOM 232 N LEU A 20 11.361 10.885 -12.903 1.00 0.00 N ATOM 233 CA LEU A 20 10.055 11.115 -12.295 1.00 0.00 C ATOM 234 C LEU A 20 9.973 10.463 -10.918 1.00 0.00 C ATOM 235 O LEU A 20 10.698 9.517 -10.608 1.00 0.00 O ATOM 236 CB LEU A 20 8.948 10.568 -13.197 1.00 0.00 C ATOM 237 CG LEU A 20 8.577 11.432 -14.403 1.00 0.00 C ATOM 238 CD1 LEU A 20 7.934 12.734 -13.950 1.00 0.00 C ATOM 239 CD2 LEU A 20 9.806 11.712 -15.257 1.00 0.00 C ATOM 0 H LEU A 20 11.326 10.584 -13.877 1.00 0.00 H new ATOM 0 HA LEU A 20 9.921 12.190 -12.176 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.254 9.586 -13.559 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.053 10.421 -12.592 1.00 0.00 H new ATOM 0 HG LEU A 20 7.854 10.885 -15.009 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.677 13.335 -14.822 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.030 12.515 -13.381 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.633 13.286 -13.322 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.523 12.328 -16.111 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.551 12.238 -14.661 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.225 10.770 -15.612 1.00 0.00 H new ATOM 251 N PRO A 21 9.068 10.977 -10.073 1.00 0.00 N ATOM 252 CA PRO A 21 8.867 10.459 -8.716 1.00 0.00 C ATOM 253 C PRO A 21 8.228 9.074 -8.713 1.00 0.00 C ATOM 254 O PRO A 21 7.100 8.899 -9.175 1.00 0.00 O ATOM 255 CB PRO A 21 7.926 11.484 -8.080 1.00 0.00 C ATOM 256 CG PRO A 21 7.198 12.094 -9.228 1.00 0.00 C ATOM 257 CD PRO A 21 8.170 12.104 -10.376 1.00 0.00 C ATOM 0 HA PRO A 21 9.810 10.338 -8.182 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.237 11.009 -7.382 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.481 12.236 -7.519 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.307 11.517 -9.476 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.867 13.104 -8.988 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.664 11.969 -11.332 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.714 13.047 -10.434 1.00 0.00 H new ATOM 265 N LYS A 22 8.955 8.093 -8.191 1.00 0.00 N ATOM 266 CA LYS A 22 8.459 6.723 -8.126 1.00 0.00 C ATOM 267 C LYS A 22 8.607 6.157 -6.717 1.00 0.00 C ATOM 268 O LYS A 22 9.637 5.586 -6.357 1.00 0.00 O ATOM 269 CB LYS A 22 9.210 5.839 -9.124 1.00 0.00 C ATOM 270 CG LYS A 22 10.713 6.057 -9.119 1.00 0.00 C ATOM 271 CD LYS A 22 11.434 4.988 -9.922 1.00 0.00 C ATOM 272 CE LYS A 22 11.501 3.671 -9.164 1.00 0.00 C ATOM 273 NZ LYS A 22 12.325 3.783 -7.929 1.00 0.00 N ATOM 0 H LYS A 22 9.891 8.221 -7.806 1.00 0.00 H new ATOM 0 HA LYS A 22 7.400 6.734 -8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.002 4.793 -8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.827 6.031 -10.126 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.940 7.039 -9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.079 6.051 -8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.921 4.837 -10.872 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.444 5.326 -10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.493 3.352 -8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.920 2.900 -9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.629 2.835 -7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.161 4.370 -8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.761 4.222 -7.174 1.00 0.00 H new ATOM 287 N PRO A 23 7.555 6.316 -5.901 1.00 0.00 N ATOM 288 CA PRO A 23 7.544 5.826 -4.519 1.00 0.00 C ATOM 289 C PRO A 23 7.495 4.303 -4.445 1.00 0.00 C ATOM 290 O PRO A 23 7.414 3.726 -3.361 1.00 0.00 O ATOM 291 CB PRO A 23 6.263 6.430 -3.939 1.00 0.00 C ATOM 292 CG PRO A 23 5.380 6.652 -5.118 1.00 0.00 C ATOM 293 CD PRO A 23 6.295 6.987 -6.263 1.00 0.00 C ATOM 0 HA PRO A 23 8.448 6.109 -3.979 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.799 5.757 -3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.467 7.364 -3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 23 4.790 5.762 -5.337 1.00 0.00 H new ATOM 0 HG3 PRO A 23 4.676 7.463 -4.931 1.00 0.00 H new ATOM 0 HD2 PRO A 23 5.903 6.620 -7.211 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.429 8.064 -6.368 1.00 0.00 H new ATOM 301 N LYS A 24 7.546 3.657 -5.605 1.00 0.00 N ATOM 302 CA LYS A 24 7.510 2.201 -5.673 1.00 0.00 C ATOM 303 C LYS A 24 8.634 1.669 -6.556 1.00 0.00 C ATOM 304 O LYS A 24 8.577 1.773 -7.781 1.00 0.00 O ATOM 305 CB LYS A 24 6.157 1.729 -6.211 1.00 0.00 C ATOM 306 CG LYS A 24 5.730 2.434 -7.486 1.00 0.00 C ATOM 307 CD LYS A 24 4.918 3.683 -7.187 1.00 0.00 C ATOM 308 CE LYS A 24 4.513 4.404 -8.464 1.00 0.00 C ATOM 309 NZ LYS A 24 5.668 5.095 -9.100 1.00 0.00 N ATOM 0 H LYS A 24 7.612 4.119 -6.512 1.00 0.00 H new ATOM 0 HA LYS A 24 7.650 1.811 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.204 0.656 -6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.396 1.887 -5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.612 2.703 -8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.140 1.753 -8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.026 3.412 -6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.501 4.355 -6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.087 3.687 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.733 5.132 -8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.488 6.119 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.530 4.910 -8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.794 4.740 -10.069 1.00 0.00 H new ATOM 323 N LYS A 25 9.655 1.098 -5.926 1.00 0.00 N ATOM 324 CA LYS A 25 10.792 0.547 -6.653 1.00 0.00 C ATOM 325 C LYS A 25 10.475 -0.848 -7.183 1.00 0.00 C ATOM 326 O LYS A 25 11.294 -1.760 -7.085 1.00 0.00 O ATOM 327 CB LYS A 25 12.025 0.493 -5.748 1.00 0.00 C ATOM 328 CG LYS A 25 11.844 -0.390 -4.526 1.00 0.00 C ATOM 329 CD LYS A 25 12.776 0.020 -3.398 1.00 0.00 C ATOM 330 CE LYS A 25 12.292 1.285 -2.707 1.00 0.00 C ATOM 331 NZ LYS A 25 13.367 1.920 -1.896 1.00 0.00 N ATOM 0 H LYS A 25 9.718 1.005 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 25 11.000 1.200 -7.501 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.874 0.129 -6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.271 1.504 -5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.811 -0.332 -4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.033 -1.429 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.846 -0.789 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.779 0.181 -3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.935 1.993 -3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.445 1.046 -2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.997 2.779 -1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.691 1.254 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.165 2.171 -2.514 1.00 0.00 H new ATOM 345 N ASN A 26 9.281 -1.005 -7.745 1.00 0.00 N ATOM 346 CA ASN A 26 8.856 -2.289 -8.291 1.00 0.00 C ATOM 347 C ASN A 26 8.771 -3.345 -7.193 1.00 0.00 C ATOM 348 O ASN A 26 9.099 -4.511 -7.413 1.00 0.00 O ATOM 349 CB ASN A 26 9.825 -2.748 -9.382 1.00 0.00 C ATOM 350 CG ASN A 26 9.140 -3.577 -10.452 1.00 0.00 C ATOM 351 OD1 ASN A 26 8.216 -4.338 -10.166 1.00 0.00 O ATOM 352 ND2 ASN A 26 9.592 -3.433 -11.692 1.00 0.00 N ATOM 0 H ASN A 26 8.591 -0.259 -7.834 1.00 0.00 H new ATOM 0 HA ASN A 26 7.864 -2.161 -8.725 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.288 -1.876 -9.843 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.626 -3.333 -8.930 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.171 -3.965 -12.453 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.361 -2.790 -11.883 1.00 0.00 H new ATOM 359 N ARG A 27 8.328 -2.928 -6.011 1.00 0.00 N ATOM 360 CA ARG A 27 8.200 -3.838 -4.879 1.00 0.00 C ATOM 361 C ARG A 27 6.763 -3.870 -4.367 1.00 0.00 C ATOM 362 O ARG A 27 6.091 -2.840 -4.305 1.00 0.00 O ATOM 363 CB ARG A 27 9.145 -3.419 -3.752 1.00 0.00 C ATOM 364 CG ARG A 27 10.544 -3.999 -3.883 1.00 0.00 C ATOM 365 CD ARG A 27 11.299 -3.936 -2.564 1.00 0.00 C ATOM 366 NE ARG A 27 12.739 -3.797 -2.763 1.00 0.00 N ATOM 367 CZ ARG A 27 13.644 -4.151 -1.858 1.00 0.00 C ATOM 368 NH1 ARG A 27 13.260 -4.664 -0.697 1.00 0.00 N ATOM 369 NH2 ARG A 27 14.936 -3.993 -2.113 1.00 0.00 N ATOM 0 H ARG A 27 8.052 -1.966 -5.813 1.00 0.00 H new ATOM 0 HA ARG A 27 8.469 -4.839 -5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.212 -2.331 -3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.720 -3.730 -2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.480 -5.034 -4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.096 -3.451 -4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.932 -3.095 -1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.098 -4.839 -1.988 1.00 0.00 H new ATOM 0 HE ARG A 27 13.068 -3.406 -3.646 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.267 -4.788 -0.497 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.957 -4.935 -0.004 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.235 -3.599 -3.005 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.630 -4.265 -1.417 1.00 0.00 H new ATOM 383 N CYS A 28 6.297 -5.060 -4.002 1.00 0.00 N ATOM 384 CA CYS A 28 4.940 -5.228 -3.496 1.00 0.00 C ATOM 385 C CYS A 28 4.581 -4.112 -2.520 1.00 0.00 C ATOM 386 O CYS A 28 5.453 -3.550 -1.855 1.00 0.00 O ATOM 387 CB CYS A 28 4.794 -6.588 -2.810 1.00 0.00 C ATOM 388 SG CYS A 28 3.070 -7.062 -2.460 1.00 0.00 S ATOM 0 H CYS A 28 6.840 -5.922 -4.047 1.00 0.00 H new ATOM 0 HA CYS A 28 4.255 -5.180 -4.342 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.249 -7.352 -3.441 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.353 -6.573 -1.874 1.00 0.00 H new ATOM 393 N PHE A 29 3.293 -3.796 -2.438 1.00 0.00 N ATOM 394 CA PHE A 29 2.819 -2.747 -1.543 1.00 0.00 C ATOM 395 C PHE A 29 2.212 -3.345 -0.277 1.00 0.00 C ATOM 396 O PHE A 29 1.716 -2.623 0.587 1.00 0.00 O ATOM 397 CB PHE A 29 1.785 -1.871 -2.253 1.00 0.00 C ATOM 398 CG PHE A 29 0.588 -1.549 -1.404 1.00 0.00 C ATOM 399 CD1 PHE A 29 -0.293 -2.546 -1.018 1.00 0.00 C ATOM 400 CD2 PHE A 29 0.343 -0.248 -0.994 1.00 0.00 C ATOM 401 CE1 PHE A 29 -1.395 -2.253 -0.236 1.00 0.00 C ATOM 402 CE2 PHE A 29 -0.756 0.051 -0.212 1.00 0.00 C ATOM 403 CZ PHE A 29 -1.627 -0.952 0.166 1.00 0.00 C ATOM 0 H PHE A 29 2.559 -4.251 -2.980 1.00 0.00 H new ATOM 0 HA PHE A 29 3.673 -2.132 -1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.261 -0.941 -2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.452 -2.377 -3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.117 -3.564 -1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.019 0.541 -1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.073 -3.040 0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.934 1.068 0.104 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.488 -0.719 0.775 1.00 0.00 H new ATOM 413 N MET A 30 2.255 -4.670 -0.176 1.00 0.00 N ATOM 414 CA MET A 30 1.710 -5.365 0.984 1.00 0.00 C ATOM 415 C MET A 30 2.804 -6.131 1.722 1.00 0.00 C ATOM 416 O MET A 30 2.814 -6.188 2.952 1.00 0.00 O ATOM 417 CB MET A 30 0.600 -6.326 0.554 1.00 0.00 C ATOM 418 CG MET A 30 0.492 -7.562 1.433 1.00 0.00 C ATOM 419 SD MET A 30 -1.215 -8.080 1.696 1.00 0.00 S ATOM 420 CE MET A 30 -1.505 -7.465 3.353 1.00 0.00 C ATOM 0 H MET A 30 2.661 -5.283 -0.883 1.00 0.00 H new ATOM 0 HA MET A 30 1.293 -4.619 1.661 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.353 -5.797 0.567 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.778 -6.637 -0.475 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.049 -8.379 0.974 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.959 -7.360 2.397 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.483 -7.800 3.700 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.733 -7.845 4.022 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.476 -6.375 3.347 1.00 0.00 H new ATOM 430 N CYS A 31 3.724 -6.718 0.964 1.00 0.00 N ATOM 431 CA CYS A 31 4.821 -7.481 1.545 1.00 0.00 C ATOM 432 C CYS A 31 6.159 -6.796 1.280 1.00 0.00 C ATOM 433 O CYS A 31 7.155 -7.079 1.946 1.00 0.00 O ATOM 434 CB CYS A 31 4.841 -8.901 0.976 1.00 0.00 C ATOM 435 SG CYS A 31 5.199 -8.981 -0.809 1.00 0.00 S ATOM 0 H CYS A 31 3.731 -6.679 -0.055 1.00 0.00 H new ATOM 0 HA CYS A 31 4.665 -7.532 2.623 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.589 -9.486 1.512 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.875 -9.370 1.164 1.00 0.00 H new ATOM 440 N ARG A 32 6.174 -5.895 0.304 1.00 0.00 N ATOM 441 CA ARG A 32 7.388 -5.170 -0.049 1.00 0.00 C ATOM 442 C ARG A 32 8.452 -6.123 -0.587 1.00 0.00 C ATOM 443 O ARG A 32 9.575 -6.165 -0.085 1.00 0.00 O ATOM 444 CB ARG A 32 7.931 -4.417 1.167 1.00 0.00 C ATOM 445 CG ARG A 32 6.897 -3.535 1.848 1.00 0.00 C ATOM 446 CD ARG A 32 6.587 -2.299 1.018 1.00 0.00 C ATOM 447 NE ARG A 32 6.263 -1.146 1.854 1.00 0.00 N ATOM 448 CZ ARG A 32 5.611 -0.077 1.411 1.00 0.00 C ATOM 449 NH1 ARG A 32 5.215 -0.015 0.147 1.00 0.00 N ATOM 450 NH2 ARG A 32 5.353 0.932 2.233 1.00 0.00 N ATOM 0 H ARG A 32 5.358 -5.649 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 32 7.138 -4.452 -0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.314 -5.138 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.774 -3.800 0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.982 -4.104 2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.264 -3.233 2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.444 -2.061 0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.751 -2.510 0.352 1.00 0.00 H new ATOM 0 HE ARG A 32 6.553 -1.163 2.832 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.411 -0.789 -0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.714 0.807 -0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.655 0.887 3.206 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.852 1.753 1.892 1.00 0.00 H new ATOM 464 N LYS A 33 8.091 -6.887 -1.612 1.00 0.00 N ATOM 465 CA LYS A 33 9.013 -7.839 -2.220 1.00 0.00 C ATOM 466 C LYS A 33 9.206 -7.539 -3.703 1.00 0.00 C ATOM 467 O LYS A 33 8.244 -7.269 -4.423 1.00 0.00 O ATOM 468 CB LYS A 33 8.494 -9.268 -2.042 1.00 0.00 C ATOM 469 CG LYS A 33 9.295 -10.306 -2.809 1.00 0.00 C ATOM 470 CD LYS A 33 8.735 -11.704 -2.606 1.00 0.00 C ATOM 471 CE LYS A 33 9.021 -12.598 -3.803 1.00 0.00 C ATOM 472 NZ LYS A 33 8.187 -12.231 -4.981 1.00 0.00 N ATOM 0 H LYS A 33 7.165 -6.865 -2.040 1.00 0.00 H new ATOM 0 HA LYS A 33 9.976 -7.743 -1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.508 -9.521 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.454 -9.311 -2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.288 -10.061 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.335 -10.279 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.170 -12.145 -1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.659 -11.646 -2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.076 -12.524 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.832 -13.637 -3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.176 -13.020 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.216 -12.029 -4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.586 -11.387 -5.440 1.00 0.00 H new ATOM 486 N LYS A 34 10.455 -7.588 -4.154 1.00 0.00 N ATOM 487 CA LYS A 34 10.775 -7.324 -5.552 1.00 0.00 C ATOM 488 C LYS A 34 9.896 -8.158 -6.479 1.00 0.00 C ATOM 489 O LYS A 34 9.991 -9.386 -6.503 1.00 0.00 O ATOM 490 CB LYS A 34 12.250 -7.625 -5.824 1.00 0.00 C ATOM 491 CG LYS A 34 12.621 -7.569 -7.296 1.00 0.00 C ATOM 492 CD LYS A 34 12.433 -6.173 -7.866 1.00 0.00 C ATOM 493 CE LYS A 34 13.697 -5.339 -7.726 1.00 0.00 C ATOM 494 NZ LYS A 34 14.812 -5.880 -8.552 1.00 0.00 N ATOM 0 H LYS A 34 11.263 -7.808 -3.571 1.00 0.00 H new ATOM 0 HA LYS A 34 10.583 -6.269 -5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.865 -6.911 -5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.488 -8.615 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.659 -7.878 -7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.007 -8.276 -7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.156 -6.243 -8.918 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.610 -5.677 -7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.489 -4.311 -8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.000 -5.312 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.497 -5.123 -8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.284 -6.650 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.434 -6.246 -9.449 1.00 0.00 H new ATOM 508 N VAL A 35 9.041 -7.484 -7.241 1.00 0.00 N ATOM 509 CA VAL A 35 8.147 -8.163 -8.172 1.00 0.00 C ATOM 510 C VAL A 35 8.637 -8.021 -9.608 1.00 0.00 C ATOM 511 O VAL A 35 8.498 -8.938 -10.416 1.00 0.00 O ATOM 512 CB VAL A 35 6.711 -7.613 -8.073 1.00 0.00 C ATOM 513 CG1 VAL A 35 6.249 -7.583 -6.625 1.00 0.00 C ATOM 514 CG2 VAL A 35 6.629 -6.228 -8.697 1.00 0.00 C ATOM 0 H VAL A 35 8.948 -6.468 -7.232 1.00 0.00 H new ATOM 0 HA VAL A 35 8.144 -9.217 -7.896 1.00 0.00 H new ATOM 0 HB VAL A 35 6.046 -8.277 -8.626 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.233 -7.192 -6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.269 -8.593 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.913 -6.943 -6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.608 -5.854 -8.619 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.305 -5.552 -8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.915 -6.285 -9.747 1.00 0.00 H new ATOM 524 N GLY A 36 9.212 -6.863 -9.919 1.00 0.00 N ATOM 525 CA GLY A 36 9.715 -6.621 -11.259 1.00 0.00 C ATOM 526 C GLY A 36 8.662 -6.852 -12.324 1.00 0.00 C ATOM 527 O GLY A 36 7.710 -6.080 -12.444 1.00 0.00 O ATOM 0 H GLY A 36 9.338 -6.089 -9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.078 -5.596 -11.328 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.567 -7.274 -11.447 1.00 0.00 H new ATOM 531 N LEU A 37 8.831 -7.916 -13.101 1.00 0.00 N ATOM 532 CA LEU A 37 7.888 -8.246 -14.163 1.00 0.00 C ATOM 533 C LEU A 37 6.648 -8.930 -13.597 1.00 0.00 C ATOM 534 O LEU A 37 5.554 -8.815 -14.152 1.00 0.00 O ATOM 535 CB LEU A 37 8.554 -9.152 -15.201 1.00 0.00 C ATOM 536 CG LEU A 37 9.389 -8.446 -16.270 1.00 0.00 C ATOM 537 CD1 LEU A 37 8.506 -7.568 -17.144 1.00 0.00 C ATOM 538 CD2 LEU A 37 10.493 -7.620 -15.626 1.00 0.00 C ATOM 0 H LEU A 37 9.613 -8.565 -13.015 1.00 0.00 H new ATOM 0 HA LEU A 37 7.581 -7.317 -14.644 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.195 -9.861 -14.677 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.777 -9.732 -15.699 1.00 0.00 H new ATOM 0 HG LEU A 37 9.851 -9.205 -16.901 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.118 -7.074 -17.899 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.752 -8.184 -17.634 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.015 -6.816 -16.526 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.077 -7.125 -16.402 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.051 -6.870 -14.970 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.143 -8.273 -15.044 1.00 0.00 H new ATOM 550 N THR A 38 6.824 -9.641 -12.488 1.00 0.00 N ATOM 551 CA THR A 38 5.720 -10.343 -11.846 1.00 0.00 C ATOM 552 C THR A 38 4.926 -9.407 -10.942 1.00 0.00 C ATOM 553 O THR A 38 4.372 -9.829 -9.927 1.00 0.00 O ATOM 554 CB THR A 38 6.221 -11.538 -11.014 1.00 0.00 C ATOM 555 OG1 THR A 38 7.234 -11.107 -10.098 1.00 0.00 O ATOM 556 CG2 THR A 38 6.777 -12.629 -11.916 1.00 0.00 C ATOM 0 H THR A 38 7.722 -9.746 -12.015 1.00 0.00 H new ATOM 0 HA THR A 38 5.074 -10.711 -12.643 1.00 0.00 H new ATOM 0 HB THR A 38 5.377 -11.944 -10.456 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.319 -10.132 -10.139 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.125 -13.463 -11.306 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.996 -12.975 -12.592 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.610 -12.232 -12.497 1.00 0.00 H new ATOM 564 N GLY A 39 4.873 -8.132 -11.316 1.00 0.00 N ATOM 565 CA GLY A 39 4.144 -7.156 -10.528 1.00 0.00 C ATOM 566 C GLY A 39 2.662 -7.143 -10.848 1.00 0.00 C ATOM 567 O GLY A 39 2.251 -7.553 -11.934 1.00 0.00 O ATOM 0 H GLY A 39 5.323 -7.758 -12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.282 -7.373 -9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.560 -6.165 -10.707 1.00 0.00 H new ATOM 571 N PHE A 40 1.858 -6.672 -9.901 1.00 0.00 N ATOM 572 CA PHE A 40 0.413 -6.610 -10.087 1.00 0.00 C ATOM 573 C PHE A 40 -0.126 -5.234 -9.707 1.00 0.00 C ATOM 574 O PHE A 40 0.027 -4.788 -8.570 1.00 0.00 O ATOM 575 CB PHE A 40 -0.277 -7.689 -9.249 1.00 0.00 C ATOM 576 CG PHE A 40 -1.409 -8.370 -9.964 1.00 0.00 C ATOM 577 CD1 PHE A 40 -2.694 -7.854 -9.905 1.00 0.00 C ATOM 578 CD2 PHE A 40 -1.189 -9.526 -10.695 1.00 0.00 C ATOM 579 CE1 PHE A 40 -3.737 -8.479 -10.561 1.00 0.00 C ATOM 580 CE2 PHE A 40 -2.229 -10.155 -11.354 1.00 0.00 C ATOM 581 CZ PHE A 40 -3.504 -9.630 -11.287 1.00 0.00 C ATOM 0 H PHE A 40 2.182 -6.328 -8.997 1.00 0.00 H new ATOM 0 HA PHE A 40 0.200 -6.786 -11.141 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.460 -8.437 -8.956 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.656 -7.239 -8.332 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.882 -6.953 -9.340 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.193 -9.941 -10.751 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.734 -8.067 -10.506 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.044 -11.056 -11.920 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.318 -10.119 -11.802 1.00 0.00 H new ATOM 591 N ASP A 41 -0.756 -4.566 -10.667 1.00 0.00 N ATOM 592 CA ASP A 41 -1.318 -3.241 -10.435 1.00 0.00 C ATOM 593 C ASP A 41 -2.801 -3.332 -10.093 1.00 0.00 C ATOM 594 O ASP A 41 -3.622 -3.698 -10.935 1.00 0.00 O ATOM 595 CB ASP A 41 -1.119 -2.356 -11.666 1.00 0.00 C ATOM 596 CG ASP A 41 -1.417 -3.088 -12.960 1.00 0.00 C ATOM 597 OD1 ASP A 41 -0.720 -4.083 -13.253 1.00 0.00 O ATOM 598 OD2 ASP A 41 -2.347 -2.668 -13.678 1.00 0.00 O ATOM 0 H ASP A 41 -0.890 -4.921 -11.614 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.795 -2.795 -9.589 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.765 -1.482 -11.590 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.092 -1.992 -11.686 1.00 0.00 H new ATOM 603 N CYS A 42 -3.139 -2.998 -8.852 1.00 0.00 N ATOM 604 CA CYS A 42 -4.523 -3.044 -8.397 1.00 0.00 C ATOM 605 C CYS A 42 -5.261 -1.760 -8.769 1.00 0.00 C ATOM 606 O CYS A 42 -4.644 -0.769 -9.160 1.00 0.00 O ATOM 607 CB CYS A 42 -4.578 -3.255 -6.883 1.00 0.00 C ATOM 608 SG CYS A 42 -6.244 -3.619 -6.242 1.00 0.00 S ATOM 0 H CYS A 42 -2.472 -2.692 -8.143 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.014 -3.882 -8.892 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.911 -4.075 -6.617 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.197 -2.361 -6.388 1.00 0.00 H new ATOM 613 N ARG A 43 -6.584 -1.787 -8.645 1.00 0.00 N ATOM 614 CA ARG A 43 -7.405 -0.627 -8.968 1.00 0.00 C ATOM 615 C ARG A 43 -7.180 0.497 -7.961 1.00 0.00 C ATOM 616 O ARG A 43 -7.285 1.677 -8.298 1.00 0.00 O ATOM 617 CB ARG A 43 -8.885 -1.015 -8.994 1.00 0.00 C ATOM 618 CG ARG A 43 -9.228 -2.041 -10.061 1.00 0.00 C ATOM 619 CD ARG A 43 -9.522 -1.377 -11.397 1.00 0.00 C ATOM 620 NE ARG A 43 -10.949 -1.123 -11.579 1.00 0.00 N ATOM 621 CZ ARG A 43 -11.787 -1.997 -12.125 1.00 0.00 C ATOM 622 NH1 ARG A 43 -11.345 -3.176 -12.538 1.00 0.00 N ATOM 623 NH2 ARG A 43 -13.072 -1.692 -12.256 1.00 0.00 N ATOM 0 H ARG A 43 -7.110 -2.600 -8.323 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.112 -0.270 -9.955 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.165 -1.411 -8.018 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.484 -0.119 -9.158 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.399 -2.740 -10.175 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.094 -2.622 -9.744 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.975 -0.436 -11.463 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.161 -2.013 -12.205 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.322 -0.225 -11.270 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.358 -3.415 -12.437 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.991 -3.845 -12.957 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.416 -0.786 -11.937 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.715 -2.363 -12.675 1.00 0.00 H new ATOM 637 N CYS A 44 -6.870 0.123 -6.725 1.00 0.00 N ATOM 638 CA CYS A 44 -6.631 1.098 -5.668 1.00 0.00 C ATOM 639 C CYS A 44 -5.347 1.881 -5.930 1.00 0.00 C ATOM 640 O CYS A 44 -4.973 2.759 -5.154 1.00 0.00 O ATOM 641 CB CYS A 44 -6.546 0.399 -4.309 1.00 0.00 C ATOM 642 SG CYS A 44 -5.088 -0.676 -4.116 1.00 0.00 S ATOM 0 H CYS A 44 -6.778 -0.849 -6.430 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.467 1.797 -5.658 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.533 1.155 -3.524 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.446 -0.198 -4.162 1.00 0.00 H new ATOM 647 N GLY A 45 -4.676 1.555 -7.031 1.00 0.00 N ATOM 648 CA GLY A 45 -3.442 2.236 -7.377 1.00 0.00 C ATOM 649 C GLY A 45 -2.264 1.756 -6.553 1.00 0.00 C ATOM 650 O GLY A 45 -1.500 2.561 -6.023 1.00 0.00 O ATOM 0 H GLY A 45 -4.965 0.831 -7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.229 2.080 -8.435 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.570 3.309 -7.232 1.00 0.00 H new ATOM 654 N ASN A 46 -2.118 0.439 -6.443 1.00 0.00 N ATOM 655 CA ASN A 46 -1.026 -0.148 -5.675 1.00 0.00 C ATOM 656 C ASN A 46 -0.367 -1.285 -6.449 1.00 0.00 C ATOM 657 O ASN A 46 -0.901 -1.759 -7.453 1.00 0.00 O ATOM 658 CB ASN A 46 -1.540 -0.662 -4.329 1.00 0.00 C ATOM 659 CG ASN A 46 -1.498 0.402 -3.249 1.00 0.00 C ATOM 660 OD1 ASN A 46 -0.565 1.203 -3.187 1.00 0.00 O ATOM 661 ND2 ASN A 46 -2.512 0.415 -2.392 1.00 0.00 N ATOM 0 H ASN A 46 -2.742 -0.242 -6.876 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.281 0.627 -5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.564 -1.017 -4.446 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.940 -1.517 -4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.539 1.108 -1.644 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.264 -0.268 -2.481 1.00 0.00 H new ATOM 668 N LEU A 47 0.796 -1.719 -5.976 1.00 0.00 N ATOM 669 CA LEU A 47 1.529 -2.803 -6.622 1.00 0.00 C ATOM 670 C LEU A 47 1.588 -4.033 -5.722 1.00 0.00 C ATOM 671 O LEU A 47 1.829 -3.924 -4.520 1.00 0.00 O ATOM 672 CB LEU A 47 2.945 -2.346 -6.976 1.00 0.00 C ATOM 673 CG LEU A 47 3.911 -3.443 -7.425 1.00 0.00 C ATOM 674 CD1 LEU A 47 3.438 -4.073 -8.725 1.00 0.00 C ATOM 675 CD2 LEU A 47 5.318 -2.884 -7.582 1.00 0.00 C ATOM 0 H LEU A 47 1.252 -1.337 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 47 1.001 -3.072 -7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.877 -1.602 -7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.372 -1.847 -6.106 1.00 0.00 H new ATOM 0 HG LEU A 47 3.932 -4.217 -6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.138 -4.851 -9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.450 -4.511 -8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.386 -3.310 -9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.992 -3.679 -7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.313 -2.090 -8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.658 -2.482 -6.628 1.00 0.00 H new ATOM 687 N PHE A 48 1.370 -5.203 -6.313 1.00 0.00 N ATOM 688 CA PHE A 48 1.400 -6.454 -5.565 1.00 0.00 C ATOM 689 C PHE A 48 2.157 -7.531 -6.337 1.00 0.00 C ATOM 690 O PHE A 48 2.195 -7.518 -7.568 1.00 0.00 O ATOM 691 CB PHE A 48 -0.024 -6.930 -5.268 1.00 0.00 C ATOM 692 CG PHE A 48 -0.864 -5.903 -4.565 1.00 0.00 C ATOM 693 CD1 PHE A 48 -1.542 -4.931 -5.284 1.00 0.00 C ATOM 694 CD2 PHE A 48 -0.978 -5.909 -3.184 1.00 0.00 C ATOM 695 CE1 PHE A 48 -2.315 -3.985 -4.639 1.00 0.00 C ATOM 696 CE2 PHE A 48 -1.750 -4.965 -2.533 1.00 0.00 C ATOM 697 CZ PHE A 48 -2.420 -4.002 -3.262 1.00 0.00 C ATOM 0 H PHE A 48 1.171 -5.311 -7.308 1.00 0.00 H new ATOM 0 HA PHE A 48 1.919 -6.273 -4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.509 -7.206 -6.204 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.023 -7.831 -4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.465 -4.913 -6.361 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.457 -6.661 -2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.837 -3.232 -5.211 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.829 -4.980 -1.456 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.025 -3.264 -2.756 1.00 0.00 H new ATOM 707 N CYS A 49 2.758 -8.463 -5.605 1.00 0.00 N ATOM 708 CA CYS A 49 3.516 -9.547 -6.218 1.00 0.00 C ATOM 709 C CYS A 49 2.585 -10.654 -6.704 1.00 0.00 C ATOM 710 O CYS A 49 3.012 -11.786 -6.925 1.00 0.00 O ATOM 711 CB CYS A 49 4.528 -10.117 -5.223 1.00 0.00 C ATOM 712 SG CYS A 49 3.777 -10.816 -3.717 1.00 0.00 S ATOM 0 H CYS A 49 2.735 -8.489 -4.586 1.00 0.00 H new ATOM 0 HA CYS A 49 4.051 -9.142 -7.077 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.112 -10.893 -5.719 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.224 -9.328 -4.937 1.00 0.00 H new ATOM 717 N GLY A 50 1.309 -10.317 -6.868 1.00 0.00 N ATOM 718 CA GLY A 50 0.337 -11.293 -7.327 1.00 0.00 C ATOM 719 C GLY A 50 -0.214 -12.138 -6.195 1.00 0.00 C ATOM 720 O GLY A 50 -1.352 -12.606 -6.257 1.00 0.00 O ATOM 0 H GLY A 50 0.931 -9.386 -6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.484 -10.777 -7.825 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.801 -11.943 -8.069 1.00 0.00 H new ATOM 724 N LEU A 51 0.594 -12.336 -5.160 1.00 0.00 N ATOM 725 CA LEU A 51 0.181 -13.132 -4.009 1.00 0.00 C ATOM 726 C LEU A 51 -0.781 -12.349 -3.122 1.00 0.00 C ATOM 727 O LEU A 51 -1.559 -12.932 -2.366 1.00 0.00 O ATOM 728 CB LEU A 51 1.404 -13.565 -3.198 1.00 0.00 C ATOM 729 CG LEU A 51 2.260 -14.672 -3.814 1.00 0.00 C ATOM 730 CD1 LEU A 51 3.201 -14.099 -4.862 1.00 0.00 C ATOM 731 CD2 LEU A 51 3.044 -15.403 -2.733 1.00 0.00 C ATOM 0 H LEU A 51 1.539 -11.957 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.335 -14.019 -4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.036 -12.692 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.065 -13.899 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 51 1.598 -15.387 -4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.802 -14.902 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.620 -13.622 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.857 -13.362 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.648 -16.188 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.695 -14.698 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.351 -15.847 -2.019 1.00 0.00 H new ATOM 743 N HIS A 52 -0.724 -11.025 -3.220 1.00 0.00 N ATOM 744 CA HIS A 52 -1.592 -10.161 -2.428 1.00 0.00 C ATOM 745 C HIS A 52 -2.501 -9.331 -3.329 1.00 0.00 C ATOM 746 O HIS A 52 -3.393 -8.630 -2.851 1.00 0.00 O ATOM 747 CB HIS A 52 -0.757 -9.240 -1.538 1.00 0.00 C ATOM 748 CG HIS A 52 0.097 -9.974 -0.551 1.00 0.00 C ATOM 749 ND1 HIS A 52 1.467 -10.076 -0.670 1.00 0.00 N ATOM 750 CD2 HIS A 52 -0.231 -10.642 0.580 1.00 0.00 C ATOM 751 CE1 HIS A 52 1.944 -10.777 0.343 1.00 0.00 C ATOM 752 NE2 HIS A 52 0.934 -11.132 1.116 1.00 0.00 N ATOM 0 H HIS A 52 -0.086 -10.527 -3.840 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.216 -10.795 -1.797 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.119 -8.620 -2.168 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.424 -8.567 -0.999 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.224 -10.766 0.985 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.983 -11.019 0.510 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.007 -11.681 1.972 1.00 0.00 H new ATOM 760 N ARG A 53 -2.268 -9.414 -4.635 1.00 0.00 N ATOM 761 CA ARG A 53 -3.064 -8.669 -5.602 1.00 0.00 C ATOM 762 C ARG A 53 -4.536 -8.661 -5.203 1.00 0.00 C ATOM 763 O ARG A 53 -5.165 -7.604 -5.132 1.00 0.00 O ATOM 764 CB ARG A 53 -2.906 -9.274 -6.999 1.00 0.00 C ATOM 765 CG ARG A 53 -3.475 -10.678 -7.121 1.00 0.00 C ATOM 766 CD ARG A 53 -3.081 -11.326 -8.440 1.00 0.00 C ATOM 767 NE ARG A 53 -4.024 -12.366 -8.842 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.265 -12.118 -9.243 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.712 -10.871 -9.295 1.00 0.00 N ATOM 770 NH2 ARG A 53 -6.063 -13.119 -9.593 1.00 0.00 N ATOM 0 H ARG A 53 -1.534 -9.990 -5.047 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.704 -7.640 -5.616 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.399 -8.627 -7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.848 -9.296 -7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.118 -11.290 -6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.562 -10.640 -7.043 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.029 -10.564 -9.217 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.084 -11.756 -8.349 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.712 -13.337 -8.813 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.102 -10.099 -9.027 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.666 -10.684 -9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.723 -14.080 -9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.016 -12.927 -9.901 1.00 0.00 H new ATOM 784 N TYR A 54 -5.081 -9.844 -4.944 1.00 0.00 N ATOM 785 CA TYR A 54 -6.480 -9.974 -4.555 1.00 0.00 C ATOM 786 C TYR A 54 -6.895 -8.835 -3.628 1.00 0.00 C ATOM 787 O TYR A 54 -6.061 -8.237 -2.949 1.00 0.00 O ATOM 788 CB TYR A 54 -6.717 -11.319 -3.867 1.00 0.00 C ATOM 789 CG TYR A 54 -6.216 -12.503 -4.663 1.00 0.00 C ATOM 790 CD1 TYR A 54 -4.875 -12.864 -4.638 1.00 0.00 C ATOM 791 CD2 TYR A 54 -7.084 -13.261 -5.439 1.00 0.00 C ATOM 792 CE1 TYR A 54 -4.412 -13.945 -5.364 1.00 0.00 C ATOM 793 CE2 TYR A 54 -6.631 -14.344 -6.167 1.00 0.00 C ATOM 794 CZ TYR A 54 -5.294 -14.682 -6.127 1.00 0.00 C ATOM 795 OH TYR A 54 -4.838 -15.759 -6.850 1.00 0.00 O ATOM 0 H TYR A 54 -4.575 -10.728 -4.996 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.088 -9.924 -5.458 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.225 -11.312 -2.894 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.785 -11.441 -3.684 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.182 -12.290 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.131 -12.999 -5.474 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.366 -14.211 -5.334 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.320 -14.923 -6.764 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.586 -16.170 -7.332 1.00 0.00 H new ATOM 805 N SER A 55 -8.191 -8.542 -3.606 1.00 0.00 N ATOM 806 CA SER A 55 -8.719 -7.474 -2.765 1.00 0.00 C ATOM 807 C SER A 55 -8.862 -7.940 -1.320 1.00 0.00 C ATOM 808 O SER A 55 -8.717 -7.153 -0.385 1.00 0.00 O ATOM 809 CB SER A 55 -10.073 -7.000 -3.296 1.00 0.00 C ATOM 810 OG SER A 55 -10.995 -8.074 -3.374 1.00 0.00 O ATOM 0 H SER A 55 -8.895 -9.029 -4.161 1.00 0.00 H new ATOM 0 HA SER A 55 -8.015 -6.643 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.471 -6.222 -2.644 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.945 -6.555 -4.282 1.00 0.00 H new ATOM 0 HG SER A 55 -11.853 -7.745 -3.714 1.00 0.00 H new ATOM 816 N ASP A 56 -9.146 -9.226 -1.145 1.00 0.00 N ATOM 817 CA ASP A 56 -9.308 -9.799 0.186 1.00 0.00 C ATOM 818 C ASP A 56 -7.985 -10.358 0.701 1.00 0.00 C ATOM 819 O ASP A 56 -7.960 -11.175 1.622 1.00 0.00 O ATOM 820 CB ASP A 56 -10.368 -10.902 0.164 1.00 0.00 C ATOM 821 CG ASP A 56 -11.604 -10.501 -0.616 1.00 0.00 C ATOM 822 OD1 ASP A 56 -12.380 -9.663 -0.110 1.00 0.00 O ATOM 823 OD2 ASP A 56 -11.796 -11.025 -1.733 1.00 0.00 O ATOM 0 H ASP A 56 -9.269 -9.891 -1.908 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.634 -9.006 0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.941 -11.803 -0.276 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.652 -11.150 1.187 1.00 0.00 H new ATOM 828 N LYS A 57 -6.887 -9.914 0.100 1.00 0.00 N ATOM 829 CA LYS A 57 -5.560 -10.368 0.497 1.00 0.00 C ATOM 830 C LYS A 57 -4.742 -9.218 1.077 1.00 0.00 C ATOM 831 O LYS A 57 -3.955 -9.409 2.005 1.00 0.00 O ATOM 832 CB LYS A 57 -4.826 -10.976 -0.701 1.00 0.00 C ATOM 833 CG LYS A 57 -5.259 -12.396 -1.022 1.00 0.00 C ATOM 834 CD LYS A 57 -4.878 -13.360 0.089 1.00 0.00 C ATOM 835 CE LYS A 57 -5.244 -14.793 -0.266 1.00 0.00 C ATOM 836 NZ LYS A 57 -6.719 -14.984 -0.349 1.00 0.00 N ATOM 0 H LYS A 57 -6.890 -9.239 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.680 -11.130 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.993 -10.348 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.754 -10.968 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.338 -12.423 -1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.798 -12.716 -1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.807 -13.293 0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.383 -13.072 1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.789 -15.058 -1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.832 -15.469 0.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.932 -15.996 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.165 -14.628 0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.091 -14.462 -1.168 1.00 0.00 H new ATOM 850 N HIS A 58 -4.934 -8.024 0.526 1.00 0.00 N ATOM 851 CA HIS A 58 -4.215 -6.843 0.990 1.00 0.00 C ATOM 852 C HIS A 58 -5.185 -5.786 1.509 1.00 0.00 C ATOM 853 O HIS A 58 -4.827 -4.618 1.651 1.00 0.00 O ATOM 854 CB HIS A 58 -3.364 -6.261 -0.139 1.00 0.00 C ATOM 855 CG HIS A 58 -4.168 -5.599 -1.215 1.00 0.00 C ATOM 856 ND1 HIS A 58 -4.245 -6.084 -2.503 1.00 0.00 N ATOM 857 CD2 HIS A 58 -4.934 -4.483 -1.188 1.00 0.00 C ATOM 858 CE1 HIS A 58 -5.022 -5.294 -3.223 1.00 0.00 C ATOM 859 NE2 HIS A 58 -5.454 -4.316 -2.447 1.00 0.00 N ATOM 0 H HIS A 58 -5.581 -7.849 -0.242 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.561 -7.144 1.808 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.666 -5.536 0.280 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -2.767 -7.059 -0.581 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -3.776 -6.922 -2.847 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.104 -3.843 -0.335 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.263 -5.425 -4.268 1.00 0.00 H new ATOM 867 N ASN A 59 -6.415 -6.204 1.788 1.00 0.00 N ATOM 868 CA ASN A 59 -7.437 -5.293 2.289 1.00 0.00 C ATOM 869 C ASN A 59 -7.627 -4.114 1.340 1.00 0.00 C ATOM 870 O ASN A 59 -7.540 -2.955 1.747 1.00 0.00 O ATOM 871 CB ASN A 59 -7.059 -4.785 3.682 1.00 0.00 C ATOM 872 CG ASN A 59 -6.464 -5.875 4.553 1.00 0.00 C ATOM 873 OD1 ASN A 59 -5.151 -6.051 4.466 1.00 0.00 O flip ATOM 874 ND2 ASN A 59 -7.178 -6.550 5.295 1.00 0.00 N flip ATOM 0 H ASN A 59 -6.728 -7.168 1.676 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.377 -5.841 2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.343 -3.969 3.586 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.944 -4.377 4.170 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.183 -6.379 5.329 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.764 -7.280 5.875 1.00 0.00 H new ATOM 881 N CYS A 60 -7.888 -4.417 0.073 1.00 0.00 N ATOM 882 CA CYS A 60 -8.091 -3.384 -0.935 1.00 0.00 C ATOM 883 C CYS A 60 -9.211 -2.434 -0.523 1.00 0.00 C ATOM 884 O CYS A 60 -10.368 -2.827 -0.369 1.00 0.00 O ATOM 885 CB CYS A 60 -8.418 -4.019 -2.288 1.00 0.00 C ATOM 886 SG CYS A 60 -8.421 -2.844 -3.680 1.00 0.00 S ATOM 0 H CYS A 60 -7.964 -5.371 -0.280 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.167 -2.812 -1.023 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.692 -4.806 -2.493 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.396 -4.495 -2.227 1.00 0.00 H new ATOM 891 N PRO A 61 -8.862 -1.152 -0.339 1.00 0.00 N ATOM 892 CA PRO A 61 -9.824 -0.119 0.058 1.00 0.00 C ATOM 893 C PRO A 61 -10.814 0.209 -1.055 1.00 0.00 C ATOM 894 O PRO A 61 -11.973 0.532 -0.792 1.00 0.00 O ATOM 895 CB PRO A 61 -8.938 1.093 0.359 1.00 0.00 C ATOM 896 CG PRO A 61 -7.710 0.876 -0.456 1.00 0.00 C ATOM 897 CD PRO A 61 -7.502 -0.612 -0.504 1.00 0.00 C ATOM 0 HA PRO A 61 -10.438 -0.436 0.901 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.435 2.024 0.086 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.702 1.157 1.421 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.830 1.286 -1.459 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.851 1.376 -0.008 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.057 -0.925 -1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.836 -0.951 0.290 1.00 0.00 H new ATOM 905 N TYR A 62 -10.351 0.122 -2.297 1.00 0.00 N ATOM 906 CA TYR A 62 -11.197 0.411 -3.449 1.00 0.00 C ATOM 907 C TYR A 62 -12.559 -0.262 -3.308 1.00 0.00 C ATOM 908 O TYR A 62 -12.784 -1.046 -2.386 1.00 0.00 O ATOM 909 CB TYR A 62 -10.516 -0.055 -4.737 1.00 0.00 C ATOM 910 CG TYR A 62 -10.521 0.984 -5.835 1.00 0.00 C ATOM 911 CD1 TYR A 62 -10.152 2.299 -5.576 1.00 0.00 C ATOM 912 CD2 TYR A 62 -10.897 0.653 -7.131 1.00 0.00 C ATOM 913 CE1 TYR A 62 -10.157 3.252 -6.576 1.00 0.00 C ATOM 914 CE2 TYR A 62 -10.902 1.599 -8.137 1.00 0.00 C ATOM 915 CZ TYR A 62 -10.532 2.897 -7.855 1.00 0.00 C ATOM 916 OH TYR A 62 -10.538 3.843 -8.855 1.00 0.00 O ATOM 0 H TYR A 62 -9.395 -0.146 -2.532 1.00 0.00 H new ATOM 0 HA TYR A 62 -11.349 1.489 -3.495 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.485 -0.330 -4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.015 -0.954 -5.097 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.856 2.580 -4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -11.190 -0.362 -7.356 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.869 4.270 -6.358 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -11.194 1.324 -9.140 1.00 0.00 H new ATOM 0 HH TYR A 62 -10.826 3.429 -9.695 1.00 0.00 H new ATOM 926 N ASP A 63 -13.463 0.051 -4.229 1.00 0.00 N ATOM 927 CA ASP A 63 -14.803 -0.524 -4.210 1.00 0.00 C ATOM 928 C ASP A 63 -15.219 -0.980 -5.606 1.00 0.00 C ATOM 929 O ASP A 63 -16.376 -1.331 -5.836 1.00 0.00 O ATOM 930 CB ASP A 63 -15.810 0.493 -3.672 1.00 0.00 C ATOM 931 CG ASP A 63 -16.000 0.382 -2.172 1.00 0.00 C ATOM 932 OD1 ASP A 63 -16.181 -0.751 -1.679 1.00 0.00 O ATOM 933 OD2 ASP A 63 -15.967 1.429 -1.490 1.00 0.00 O ATOM 0 H ASP A 63 -13.293 0.699 -4.998 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.789 -1.393 -3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.473 1.500 -3.919 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -16.769 0.348 -4.169 1.00 0.00 H new ATOM 938 N TYR A 64 -14.268 -0.970 -6.533 1.00 0.00 N ATOM 939 CA TYR A 64 -14.536 -1.379 -7.907 1.00 0.00 C ATOM 940 C TYR A 64 -15.528 -2.537 -7.947 1.00 0.00 C ATOM 941 O TYR A 64 -16.297 -2.679 -8.898 1.00 0.00 O ATOM 942 CB TYR A 64 -13.235 -1.784 -8.603 1.00 0.00 C ATOM 943 CG TYR A 64 -12.595 -3.022 -8.018 1.00 0.00 C ATOM 944 CD1 TYR A 64 -12.134 -3.037 -6.708 1.00 0.00 C ATOM 945 CD2 TYR A 64 -12.452 -4.178 -8.776 1.00 0.00 C ATOM 946 CE1 TYR A 64 -11.547 -4.166 -6.170 1.00 0.00 C ATOM 947 CE2 TYR A 64 -11.868 -5.312 -8.246 1.00 0.00 C ATOM 948 CZ TYR A 64 -11.417 -5.301 -6.942 1.00 0.00 C ATOM 949 OH TYR A 64 -10.834 -6.428 -6.409 1.00 0.00 O ATOM 0 H TYR A 64 -13.305 -0.683 -6.358 1.00 0.00 H new ATOM 0 HA TYR A 64 -14.974 -0.531 -8.433 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -13.437 -1.955 -9.661 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -12.528 -0.957 -8.543 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -12.236 -2.151 -6.099 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -12.804 -4.190 -9.797 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -11.192 -4.160 -5.150 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.765 -6.202 -8.849 1.00 0.00 H new ATOM 0 HH TYR A 64 -10.820 -7.139 -7.083 1.00 0.00 H new ATOM 959 N LYS A 65 -15.507 -3.363 -6.906 1.00 0.00 N ATOM 960 CA LYS A 65 -16.405 -4.508 -6.818 1.00 0.00 C ATOM 961 C LYS A 65 -17.860 -4.054 -6.756 1.00 0.00 C ATOM 962 O LYS A 65 -18.713 -4.575 -7.474 1.00 0.00 O ATOM 963 CB LYS A 65 -16.070 -5.352 -5.587 1.00 0.00 C ATOM 964 CG LYS A 65 -16.111 -4.571 -4.284 1.00 0.00 C ATOM 965 CD LYS A 65 -15.544 -5.381 -3.130 1.00 0.00 C ATOM 966 CE LYS A 65 -15.494 -4.564 -1.848 1.00 0.00 C ATOM 967 NZ LYS A 65 -16.846 -4.387 -1.250 1.00 0.00 N ATOM 0 H LYS A 65 -14.877 -3.260 -6.111 1.00 0.00 H new ATOM 0 HA LYS A 65 -16.269 -5.114 -7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.772 -6.183 -5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -15.076 -5.783 -5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -15.543 -3.647 -4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -17.140 -4.288 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.155 -6.270 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.541 -5.725 -3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.840 -5.057 -1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.059 -3.587 -2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.769 -3.825 -0.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.463 -3.894 -1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.252 -5.318 -1.027 1.00 0.00 H new ATOM 981 N ALA A 66 -18.135 -3.080 -5.895 1.00 0.00 N ATOM 982 CA ALA A 66 -19.486 -2.555 -5.743 1.00 0.00 C ATOM 983 C ALA A 66 -19.528 -1.057 -6.026 1.00 0.00 C ATOM 984 O ALA A 66 -20.054 -0.280 -5.230 1.00 0.00 O ATOM 985 CB ALA A 66 -20.010 -2.843 -4.344 1.00 0.00 C ATOM 0 H ALA A 66 -17.440 -2.639 -5.292 1.00 0.00 H new ATOM 0 HA ALA A 66 -20.127 -3.054 -6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -21.020 -2.445 -4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -20.026 -3.920 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.360 -2.371 -3.608 1.00 0.00 H new ATOM 991 N GLU A 67 -18.970 -0.659 -7.166 1.00 0.00 N ATOM 992 CA GLU A 67 -18.943 0.746 -7.552 1.00 0.00 C ATOM 993 C GLU A 67 -19.940 1.021 -8.674 1.00 0.00 C ATOM 994 O GLU A 67 -20.270 2.173 -8.957 1.00 0.00 O ATOM 995 CB GLU A 67 -17.535 1.149 -7.997 1.00 0.00 C ATOM 996 CG GLU A 67 -17.090 0.481 -9.287 1.00 0.00 C ATOM 997 CD GLU A 67 -15.891 1.166 -9.915 1.00 0.00 C ATOM 998 OE1 GLU A 67 -14.989 1.591 -9.164 1.00 0.00 O ATOM 999 OE2 GLU A 67 -15.857 1.277 -11.158 1.00 0.00 O ATOM 0 H GLU A 67 -18.531 -1.290 -7.837 1.00 0.00 H new ATOM 0 HA GLU A 67 -19.226 1.340 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.500 2.231 -8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.828 0.900 -7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.844 -0.562 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.917 0.482 -9.997 1.00 0.00 H new ATOM 1006 N ALA A 68 -20.416 -0.045 -9.309 1.00 0.00 N ATOM 1007 CA ALA A 68 -21.377 0.081 -10.398 1.00 0.00 C ATOM 1008 C ALA A 68 -22.725 -0.517 -10.013 1.00 0.00 C ATOM 1009 O ALA A 68 -22.930 -1.727 -10.113 1.00 0.00 O ATOM 1010 CB ALA A 68 -20.840 -0.588 -11.655 1.00 0.00 C ATOM 0 H ALA A 68 -20.152 -1.005 -9.088 1.00 0.00 H new ATOM 0 HA ALA A 68 -21.524 1.142 -10.599 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -21.568 -0.487 -12.460 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.904 -0.112 -11.949 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.663 -1.645 -11.457 1.00 0.00 H new ATOM 1016 N SER A 69 -23.642 0.337 -9.570 1.00 0.00 N ATOM 1017 CA SER A 69 -24.970 -0.108 -9.165 1.00 0.00 C ATOM 1018 C SER A 69 -25.912 -0.167 -10.364 1.00 0.00 C ATOM 1019 O SER A 69 -26.481 -1.214 -10.670 1.00 0.00 O ATOM 1020 CB SER A 69 -25.542 0.828 -8.099 1.00 0.00 C ATOM 1021 OG SER A 69 -26.755 0.320 -7.572 1.00 0.00 O ATOM 0 H SER A 69 -23.489 1.342 -9.482 1.00 0.00 H new ATOM 0 HA SER A 69 -24.878 -1.110 -8.747 1.00 0.00 H new ATOM 0 HB2 SER A 69 -24.817 0.954 -7.295 1.00 0.00 H new ATOM 0 HB3 SER A 69 -25.714 1.814 -8.531 1.00 0.00 H new ATOM 0 HG SER A 69 -27.099 0.936 -6.892 1.00 0.00 H new ATOM 1027 N GLY A 70 -26.073 0.967 -11.039 1.00 0.00 N ATOM 1028 CA GLY A 70 -26.946 1.024 -12.197 1.00 0.00 C ATOM 1029 C GLY A 70 -27.378 2.439 -12.529 1.00 0.00 C ATOM 1030 O GLY A 70 -26.802 3.099 -13.394 1.00 0.00 O ATOM 0 H GLY A 70 -25.614 1.847 -10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -26.433 0.593 -13.057 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -27.829 0.412 -12.013 1.00 0.00 H new ATOM 1034 N PRO A 71 -28.415 2.924 -11.831 1.00 0.00 N ATOM 1035 CA PRO A 71 -28.947 4.274 -12.039 1.00 0.00 C ATOM 1036 C PRO A 71 -27.988 5.356 -11.554 1.00 0.00 C ATOM 1037 O PRO A 71 -26.888 5.061 -11.086 1.00 0.00 O ATOM 1038 CB PRO A 71 -30.229 4.283 -11.204 1.00 0.00 C ATOM 1039 CG PRO A 71 -30.002 3.256 -10.149 1.00 0.00 C ATOM 1040 CD PRO A 71 -29.148 2.193 -10.784 1.00 0.00 C ATOM 0 HA PRO A 71 -29.109 4.490 -13.095 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -30.410 5.265 -10.768 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -31.100 4.039 -11.813 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -29.504 3.690 -9.282 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -30.947 2.840 -9.799 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -28.470 1.738 -10.062 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -29.753 1.389 -11.204 1.00 0.00 H new ATOM 1048 N SER A 72 -28.411 6.611 -11.670 1.00 0.00 N ATOM 1049 CA SER A 72 -27.588 7.738 -11.246 1.00 0.00 C ATOM 1050 C SER A 72 -27.757 8.003 -9.753 1.00 0.00 C ATOM 1051 O SER A 72 -27.870 9.152 -9.325 1.00 0.00 O ATOM 1052 CB SER A 72 -27.953 8.991 -12.043 1.00 0.00 C ATOM 1053 OG SER A 72 -29.331 9.296 -11.912 1.00 0.00 O ATOM 0 H SER A 72 -29.319 6.873 -12.054 1.00 0.00 H new ATOM 0 HA SER A 72 -26.545 7.486 -11.436 1.00 0.00 H new ATOM 0 HB2 SER A 72 -27.356 9.834 -11.695 1.00 0.00 H new ATOM 0 HB3 SER A 72 -27.709 8.841 -13.095 1.00 0.00 H new ATOM 0 HG SER A 72 -29.538 10.102 -12.429 1.00 0.00 H new ATOM 1059 N SER A 73 -27.774 6.932 -8.966 1.00 0.00 N ATOM 1060 CA SER A 73 -27.934 7.048 -7.521 1.00 0.00 C ATOM 1061 C SER A 73 -26.800 6.334 -6.791 1.00 0.00 C ATOM 1062 O SER A 73 -26.891 5.144 -6.493 1.00 0.00 O ATOM 1063 CB SER A 73 -29.281 6.467 -7.088 1.00 0.00 C ATOM 1064 OG SER A 73 -29.368 6.380 -5.676 1.00 0.00 O ATOM 0 H SER A 73 -27.679 5.974 -9.304 1.00 0.00 H new ATOM 0 HA SER A 73 -27.902 8.106 -7.259 1.00 0.00 H new ATOM 0 HB2 SER A 73 -30.089 7.092 -7.468 1.00 0.00 H new ATOM 0 HB3 SER A 73 -29.411 5.477 -7.525 1.00 0.00 H new ATOM 0 HG SER A 73 -30.239 6.007 -5.424 1.00 0.00 H new ATOM 1070 N GLY A 74 -25.732 7.072 -6.505 1.00 0.00 N ATOM 1071 CA GLY A 74 -24.595 6.494 -5.812 1.00 0.00 C ATOM 1072 C GLY A 74 -23.419 7.447 -5.733 1.00 0.00 C ATOM 1073 O GLY A 74 -23.632 8.653 -5.619 1.00 0.00 O ATOM 0 H GLY A 74 -25.634 8.060 -6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -24.895 6.208 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -24.286 5.582 -6.324 1.00 0.00 H new TER 1077 GLY A 74 HETATM 1078 ZN ZN A 201 3.244 -9.335 -2.028 1.00 0.00 ZN HETATM 1079 ZN ZN A 401 -6.069 -2.781 -4.074 1.00 0.00 ZN