USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 THR OG1 : rot 180:sc= 1.74 USER MOD Set 1.2: A 61 SER OG : rot 89:sc= 1.18 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.222 (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 10:sc= 0.804 USER MOD Single : A 6 SER OG : rot 39:sc= 0.0991 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -2:sc= 1.12 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.473 K(o=0.47,f=-4.1!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 48:sc= 0.549 USER MOD Single : A 29 THR OG1 : rot -100:sc= -0.373 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -2:sc= 1.09 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= 0.441 (180deg=0.277) USER MOD Single : A 41 THR OG1 : rot 84:sc= 0.108 USER MOD Single : A 43 ASN : amide:sc= 1.07 K(o=1.1,f=-0.054) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.443 X(o=-0.44,f=0) USER MOD Single : A 53 SER OG : rot -90:sc= -0.156 USER MOD Single : A 59 GLN : amide:sc=-0.00566 K(o=-0.0057,f=-2.2!) USER MOD Single : A 63 SER OG : rot 96:sc= 1.25 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.6) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0886 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -167:sc= -0.33 (180deg=-0.942) USER MOD Single : A 87 GLN : amide:sc= -0.747 K(o=-0.75,f=-2.3!) USER MOD Single : A 91 ASN : amide:sc= -0.0581 X(o=-0.058,f=-0.058) USER MOD Single : A 94 HIS : no HE2:sc= 0.319 K(o=0.32,f=-1.4) USER MOD Single : A 95 ASN : amide:sc= 0.183 K(o=0.18,f=-5.1!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -126:sc= 0 (180deg=-1.16) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 150:sc= 0.224 (180deg=0.0242) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -45.972 10.071 -2.076 1.00 0.00 N ATOM 2 CA GLY A 1 -45.371 9.776 -3.390 1.00 0.00 C ATOM 3 C GLY A 1 -45.174 8.276 -3.524 1.00 0.00 C ATOM 4 O GLY A 1 -45.635 7.542 -2.655 1.00 0.00 O ATOM 0 H1 GLY A 1 -46.816 10.664 -2.206 1.00 0.00 H new ATOM 0 H2 GLY A 1 -46.242 9.181 -1.610 1.00 0.00 H new ATOM 0 H3 GLY A 1 -45.282 10.576 -1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -46.016 10.143 -4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -44.415 10.291 -3.490 1.00 0.00 H new ATOM 8 N SER A 2 -44.499 7.826 -4.578 1.00 0.00 N ATOM 9 CA SER A 2 -43.991 6.468 -4.717 1.00 0.00 C ATOM 10 C SER A 2 -42.713 6.566 -5.558 1.00 0.00 C ATOM 11 O SER A 2 -42.449 7.623 -6.140 1.00 0.00 O ATOM 12 CB SER A 2 -45.059 5.573 -5.362 1.00 0.00 C ATOM 13 OG SER A 2 -44.695 4.215 -5.234 1.00 0.00 O ATOM 0 H SER A 2 -44.285 8.416 -5.382 1.00 0.00 H new ATOM 0 HA SER A 2 -43.759 6.012 -3.754 1.00 0.00 H new ATOM 0 HB2 SER A 2 -46.025 5.745 -4.887 1.00 0.00 H new ATOM 0 HB3 SER A 2 -45.172 5.830 -6.415 1.00 0.00 H new ATOM 0 HG SER A 2 -45.383 3.652 -5.647 1.00 0.00 H new ATOM 19 N SER A 3 -41.928 5.495 -5.611 1.00 0.00 N ATOM 20 CA SER A 3 -40.640 5.437 -6.289 1.00 0.00 C ATOM 21 C SER A 3 -40.226 3.968 -6.399 1.00 0.00 C ATOM 22 O SER A 3 -40.633 3.161 -5.563 1.00 0.00 O ATOM 23 CB SER A 3 -39.606 6.239 -5.477 1.00 0.00 C ATOM 24 OG SER A 3 -39.729 6.014 -4.080 1.00 0.00 O ATOM 0 H SER A 3 -42.181 4.612 -5.167 1.00 0.00 H new ATOM 0 HA SER A 3 -40.703 5.870 -7.287 1.00 0.00 H new ATOM 0 HB2 SER A 3 -38.602 5.966 -5.800 1.00 0.00 H new ATOM 0 HB3 SER A 3 -39.729 7.302 -5.684 1.00 0.00 H new ATOM 0 HG SER A 3 -39.054 6.540 -3.603 1.00 0.00 H new ATOM 30 N GLY A 4 -39.378 3.628 -7.369 1.00 0.00 N ATOM 31 CA GLY A 4 -38.844 2.287 -7.541 1.00 0.00 C ATOM 32 C GLY A 4 -37.622 2.385 -8.437 1.00 0.00 C ATOM 33 O GLY A 4 -37.741 2.824 -9.578 1.00 0.00 O ATOM 0 H GLY A 4 -39.040 4.291 -8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -38.577 1.856 -6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -39.593 1.632 -7.986 1.00 0.00 H new ATOM 37 N SER A 5 -36.437 2.077 -7.914 1.00 0.00 N ATOM 38 CA SER A 5 -35.173 2.078 -8.641 1.00 0.00 C ATOM 39 C SER A 5 -34.223 1.182 -7.848 1.00 0.00 C ATOM 40 O SER A 5 -33.563 1.638 -6.918 1.00 0.00 O ATOM 41 CB SER A 5 -34.632 3.510 -8.775 1.00 0.00 C ATOM 42 OG SER A 5 -35.461 4.287 -9.620 1.00 0.00 O ATOM 0 H SER A 5 -36.329 1.810 -6.935 1.00 0.00 H new ATOM 0 HA SER A 5 -35.290 1.701 -9.657 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.573 3.974 -7.791 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.619 3.484 -9.177 1.00 0.00 H new ATOM 0 HG SER A 5 -36.286 3.794 -9.813 1.00 0.00 H new ATOM 48 N SER A 6 -34.233 -0.117 -8.141 1.00 0.00 N ATOM 49 CA SER A 6 -33.603 -1.121 -7.298 1.00 0.00 C ATOM 50 C SER A 6 -33.301 -2.347 -8.152 1.00 0.00 C ATOM 51 O SER A 6 -34.224 -2.907 -8.743 1.00 0.00 O ATOM 52 CB SER A 6 -34.562 -1.467 -6.147 1.00 0.00 C ATOM 53 OG SER A 6 -35.891 -1.644 -6.614 1.00 0.00 O ATOM 0 H SER A 6 -34.681 -0.500 -8.974 1.00 0.00 H new ATOM 0 HA SER A 6 -32.670 -0.752 -6.873 1.00 0.00 H new ATOM 0 HB2 SER A 6 -34.225 -2.378 -5.652 1.00 0.00 H new ATOM 0 HB3 SER A 6 -34.540 -0.672 -5.402 1.00 0.00 H new ATOM 0 HG SER A 6 -35.876 -2.113 -7.474 1.00 0.00 H new ATOM 59 N GLY A 7 -32.039 -2.765 -8.223 1.00 0.00 N ATOM 60 CA GLY A 7 -31.633 -3.959 -8.944 1.00 0.00 C ATOM 61 C GLY A 7 -30.116 -4.009 -9.062 1.00 0.00 C ATOM 62 O GLY A 7 -29.416 -3.079 -8.653 1.00 0.00 O ATOM 0 H GLY A 7 -31.264 -2.275 -7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.995 -4.847 -8.425 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -32.083 -3.964 -9.937 1.00 0.00 H new ATOM 66 N TYR A 8 -29.615 -5.100 -9.627 1.00 0.00 N ATOM 67 CA TYR A 8 -28.214 -5.349 -9.940 1.00 0.00 C ATOM 68 C TYR A 8 -28.182 -6.184 -11.216 1.00 0.00 C ATOM 69 O TYR A 8 -29.127 -6.939 -11.479 1.00 0.00 O ATOM 70 CB TYR A 8 -27.537 -6.094 -8.777 1.00 0.00 C ATOM 71 CG TYR A 8 -28.289 -7.314 -8.263 1.00 0.00 C ATOM 72 CD1 TYR A 8 -28.135 -8.577 -8.873 1.00 0.00 C ATOM 73 CD2 TYR A 8 -29.167 -7.173 -7.172 1.00 0.00 C ATOM 74 CE1 TYR A 8 -28.843 -9.692 -8.386 1.00 0.00 C ATOM 75 CE2 TYR A 8 -29.888 -8.278 -6.691 1.00 0.00 C ATOM 76 CZ TYR A 8 -29.717 -9.547 -7.285 1.00 0.00 C ATOM 77 OH TYR A 8 -30.445 -10.594 -6.816 1.00 0.00 O ATOM 0 H TYR A 8 -30.212 -5.882 -9.895 1.00 0.00 H new ATOM 0 HA TYR A 8 -27.671 -4.415 -10.086 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -26.543 -6.408 -9.097 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -27.400 -5.397 -7.951 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -27.471 -8.689 -9.717 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -29.287 -6.208 -6.701 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -28.718 -10.658 -8.853 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -30.574 -8.157 -5.866 1.00 0.00 H new ATOM 0 HH TYR A 8 -30.987 -10.301 -6.054 1.00 0.00 H new ATOM 87 N SER A 9 -27.140 -6.055 -12.032 1.00 0.00 N ATOM 88 CA SER A 9 -26.919 -6.882 -13.212 1.00 0.00 C ATOM 89 C SER A 9 -25.437 -6.805 -13.573 1.00 0.00 C ATOM 90 O SER A 9 -25.065 -6.057 -14.478 1.00 0.00 O ATOM 91 CB SER A 9 -27.812 -6.408 -14.375 1.00 0.00 C ATOM 92 OG SER A 9 -29.178 -6.694 -14.117 1.00 0.00 O ATOM 0 H SER A 9 -26.410 -5.357 -11.887 1.00 0.00 H new ATOM 0 HA SER A 9 -27.187 -7.919 -13.008 1.00 0.00 H new ATOM 0 HB2 SER A 9 -27.683 -5.336 -14.524 1.00 0.00 H new ATOM 0 HB3 SER A 9 -27.503 -6.897 -15.299 1.00 0.00 H new ATOM 0 HG SER A 9 -29.258 -7.163 -13.260 1.00 0.00 H new ATOM 98 N GLY A 10 -24.587 -7.534 -12.850 1.00 0.00 N ATOM 99 CA GLY A 10 -23.171 -7.584 -13.164 1.00 0.00 C ATOM 100 C GLY A 10 -22.370 -8.019 -11.953 1.00 0.00 C ATOM 101 O GLY A 10 -22.080 -7.203 -11.078 1.00 0.00 O ATOM 0 H GLY A 10 -24.861 -8.096 -12.044 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -23.000 -8.277 -13.988 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -22.832 -6.603 -13.497 1.00 0.00 H new ATOM 105 N SER A 11 -22.012 -9.300 -11.908 1.00 0.00 N ATOM 106 CA SER A 11 -21.269 -9.929 -10.822 1.00 0.00 C ATOM 107 C SER A 11 -19.885 -10.396 -11.305 1.00 0.00 C ATOM 108 O SER A 11 -19.440 -11.480 -10.926 1.00 0.00 O ATOM 109 CB SER A 11 -22.118 -11.074 -10.249 1.00 0.00 C ATOM 110 OG SER A 11 -23.426 -10.627 -9.938 1.00 0.00 O ATOM 0 H SER A 11 -22.241 -9.953 -12.657 1.00 0.00 H new ATOM 0 HA SER A 11 -21.080 -9.211 -10.024 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.170 -11.890 -10.970 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.642 -11.471 -9.352 1.00 0.00 H new ATOM 0 HG SER A 11 -23.949 -11.373 -9.576 1.00 0.00 H new ATOM 116 N GLN A 12 -19.220 -9.610 -12.160 1.00 0.00 N ATOM 117 CA GLN A 12 -17.834 -9.760 -12.595 1.00 0.00 C ATOM 118 C GLN A 12 -16.913 -9.828 -11.367 1.00 0.00 C ATOM 119 O GLN A 12 -16.498 -8.791 -10.842 1.00 0.00 O ATOM 120 CB GLN A 12 -17.430 -8.584 -13.514 1.00 0.00 C ATOM 121 CG GLN A 12 -18.001 -8.610 -14.943 1.00 0.00 C ATOM 122 CD GLN A 12 -19.494 -8.312 -15.090 1.00 0.00 C ATOM 123 OE1 GLN A 12 -20.160 -7.770 -14.216 1.00 0.00 O ATOM 124 NE2 GLN A 12 -20.062 -8.711 -16.219 1.00 0.00 N ATOM 0 H GLN A 12 -19.668 -8.802 -12.592 1.00 0.00 H new ATOM 0 HA GLN A 12 -17.734 -10.685 -13.163 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -17.742 -7.654 -13.038 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.342 -8.559 -13.580 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.449 -7.887 -15.544 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.806 -9.594 -15.370 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -19.500 -9.161 -16.941 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -21.061 -8.568 -16.366 1.00 0.00 H new ATOM 133 N ALA A 13 -16.612 -11.041 -10.894 1.00 0.00 N ATOM 134 CA ALA A 13 -15.882 -11.263 -9.650 1.00 0.00 C ATOM 135 C ALA A 13 -14.454 -10.708 -9.736 1.00 0.00 C ATOM 136 O ALA A 13 -13.877 -10.698 -10.829 1.00 0.00 O ATOM 137 CB ALA A 13 -15.820 -12.765 -9.359 1.00 0.00 C ATOM 0 H ALA A 13 -16.873 -11.903 -11.372 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.407 -10.742 -8.849 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.275 -12.933 -8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.832 -13.159 -9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.309 -13.273 -10.177 1.00 0.00 H new ATOM 143 N PRO A 14 -13.828 -10.329 -8.608 1.00 0.00 N ATOM 144 CA PRO A 14 -12.429 -9.921 -8.591 1.00 0.00 C ATOM 145 C PRO A 14 -11.494 -11.106 -8.853 1.00 0.00 C ATOM 146 O PRO A 14 -10.434 -10.926 -9.459 1.00 0.00 O ATOM 147 CB PRO A 14 -12.202 -9.317 -7.203 1.00 0.00 C ATOM 148 CG PRO A 14 -13.230 -10.029 -6.321 1.00 0.00 C ATOM 149 CD PRO A 14 -14.400 -10.283 -7.270 1.00 0.00 C ATOM 0 HA PRO A 14 -12.209 -9.202 -9.381 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.185 -9.492 -6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -12.357 -8.238 -7.206 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.834 -10.959 -5.914 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.528 -9.412 -5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.903 -11.219 -7.028 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -15.145 -9.492 -7.191 1.00 0.00 H new ATOM 157 N GLY A 15 -11.891 -12.319 -8.456 1.00 0.00 N ATOM 158 CA GLY A 15 -11.002 -13.462 -8.339 1.00 0.00 C ATOM 159 C GLY A 15 -10.238 -13.385 -7.018 1.00 0.00 C ATOM 160 O GLY A 15 -10.358 -12.411 -6.265 1.00 0.00 O ATOM 0 H GLY A 15 -12.857 -12.530 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.576 -14.388 -8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.302 -13.478 -9.175 1.00 0.00 H new ATOM 164 N GLY A 16 -9.467 -14.423 -6.711 1.00 0.00 N ATOM 165 CA GLY A 16 -8.676 -14.530 -5.494 1.00 0.00 C ATOM 166 C GLY A 16 -7.359 -13.767 -5.611 1.00 0.00 C ATOM 167 O GLY A 16 -7.194 -12.923 -6.497 1.00 0.00 O ATOM 0 H GLY A 16 -9.374 -15.235 -7.321 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.249 -14.142 -4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.472 -15.580 -5.283 1.00 0.00 H new ATOM 171 N ILE A 17 -6.404 -14.075 -4.735 1.00 0.00 N ATOM 172 CA ILE A 17 -5.013 -13.646 -4.863 1.00 0.00 C ATOM 173 C ILE A 17 -4.172 -14.743 -5.534 1.00 0.00 C ATOM 174 O ILE A 17 -3.277 -14.456 -6.324 1.00 0.00 O ATOM 175 CB ILE A 17 -4.499 -13.221 -3.463 1.00 0.00 C ATOM 176 CG1 ILE A 17 -3.238 -12.331 -3.498 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.267 -14.386 -2.480 1.00 0.00 C ATOM 178 CD1 ILE A 17 -3.462 -10.988 -4.200 1.00 0.00 C ATOM 0 H ILE A 17 -6.578 -14.639 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.927 -12.779 -5.518 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.332 -12.627 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.903 -12.148 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.437 -12.869 -4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.908 -13.993 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.204 -14.921 -2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.525 -15.069 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.536 -10.413 -4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.768 -11.163 -5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.241 -10.431 -3.680 1.00 0.00 H new ATOM 190 N GLN A 18 -4.442 -16.011 -5.213 1.00 0.00 N ATOM 191 CA GLN A 18 -3.519 -17.100 -5.468 1.00 0.00 C ATOM 192 C GLN A 18 -3.396 -17.430 -6.957 1.00 0.00 C ATOM 193 O GLN A 18 -2.315 -17.807 -7.402 1.00 0.00 O ATOM 194 CB GLN A 18 -3.981 -18.324 -4.664 1.00 0.00 C ATOM 195 CG GLN A 18 -2.802 -19.257 -4.395 1.00 0.00 C ATOM 196 CD GLN A 18 -3.199 -20.582 -3.747 1.00 0.00 C ATOM 197 OE1 GLN A 18 -2.735 -21.641 -4.173 1.00 0.00 O ATOM 198 NE2 GLN A 18 -4.013 -20.581 -2.705 1.00 0.00 N ATOM 0 H GLN A 18 -5.312 -16.303 -4.768 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.522 -16.795 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.422 -18.003 -3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.757 -18.857 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.291 -19.462 -5.336 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.087 -18.747 -3.749 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.394 -19.701 -2.356 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.260 -21.460 -2.250 1.00 0.00 H new ATOM 207 N GLU A 19 -4.469 -17.281 -7.729 1.00 0.00 N ATOM 208 CA GLU A 19 -4.480 -17.572 -9.153 1.00 0.00 C ATOM 209 C GLU A 19 -3.944 -16.382 -9.950 1.00 0.00 C ATOM 210 O GLU A 19 -3.293 -16.599 -10.967 1.00 0.00 O ATOM 211 CB GLU A 19 -5.884 -18.040 -9.543 1.00 0.00 C ATOM 212 CG GLU A 19 -6.247 -18.004 -11.025 1.00 0.00 C ATOM 213 CD GLU A 19 -7.620 -18.651 -11.173 1.00 0.00 C ATOM 214 OE1 GLU A 19 -8.622 -17.959 -10.880 1.00 0.00 O ATOM 215 OE2 GLU A 19 -7.679 -19.875 -11.449 1.00 0.00 O ATOM 0 H GLU A 19 -5.366 -16.950 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.801 -18.388 -9.400 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.009 -19.064 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.606 -17.427 -9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.265 -16.977 -11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.504 -18.540 -11.615 1.00 0.00 H new ATOM 222 N ILE A 20 -4.073 -15.142 -9.462 1.00 0.00 N ATOM 223 CA ILE A 20 -3.328 -14.021 -10.020 1.00 0.00 C ATOM 224 C ILE A 20 -1.839 -14.349 -9.923 1.00 0.00 C ATOM 225 O ILE A 20 -1.115 -14.250 -10.910 1.00 0.00 O ATOM 226 CB ILE A 20 -3.656 -12.704 -9.283 1.00 0.00 C ATOM 227 CG1 ILE A 20 -5.152 -12.343 -9.279 1.00 0.00 C ATOM 228 CG2 ILE A 20 -2.830 -11.553 -9.864 1.00 0.00 C ATOM 229 CD1 ILE A 20 -5.822 -12.237 -10.649 1.00 0.00 C ATOM 0 H ILE A 20 -4.686 -14.896 -8.684 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.611 -13.873 -11.062 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.387 -12.867 -8.239 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.684 -13.093 -8.694 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.274 -11.391 -8.763 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.070 -10.630 -9.336 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.769 -11.772 -9.748 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.062 -11.437 -10.923 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.873 -11.978 -10.521 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.327 -11.464 -11.237 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.744 -13.193 -11.167 1.00 0.00 H new ATOM 241 N VAL A 21 -1.396 -14.758 -8.735 1.00 0.00 N ATOM 242 CA VAL A 21 -0.010 -15.113 -8.476 1.00 0.00 C ATOM 243 C VAL A 21 0.398 -16.319 -9.317 1.00 0.00 C ATOM 244 O VAL A 21 1.541 -16.385 -9.768 1.00 0.00 O ATOM 245 CB VAL A 21 0.149 -15.381 -6.976 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.541 -15.901 -6.613 1.00 0.00 C ATOM 247 CG2 VAL A 21 -0.094 -14.101 -6.180 1.00 0.00 C ATOM 0 H VAL A 21 -2.000 -14.852 -7.919 1.00 0.00 H new ATOM 0 HA VAL A 21 0.651 -14.294 -8.760 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.586 -16.146 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.596 -16.073 -5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.729 -16.836 -7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.291 -15.165 -6.901 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.022 -14.307 -5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.626 -13.341 -6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.104 -13.740 -6.371 1.00 0.00 H new ATOM 257 N ALA A 22 -0.511 -17.267 -9.545 1.00 0.00 N ATOM 258 CA ALA A 22 -0.253 -18.420 -10.395 1.00 0.00 C ATOM 259 C ALA A 22 0.133 -17.936 -11.786 1.00 0.00 C ATOM 260 O ALA A 22 1.119 -18.395 -12.363 1.00 0.00 O ATOM 261 CB ALA A 22 -1.492 -19.315 -10.501 1.00 0.00 C ATOM 0 H ALA A 22 -1.448 -17.253 -9.142 1.00 0.00 H new ATOM 0 HA ALA A 22 0.557 -19.001 -9.954 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.271 -20.168 -11.142 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.771 -19.669 -9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.317 -18.745 -10.928 1.00 0.00 H new ATOM 267 N MET A 23 -0.674 -17.013 -12.301 1.00 0.00 N ATOM 268 CA MET A 23 -0.550 -16.415 -13.605 1.00 0.00 C ATOM 269 C MET A 23 0.630 -15.438 -13.684 1.00 0.00 C ATOM 270 O MET A 23 0.992 -15.044 -14.795 1.00 0.00 O ATOM 271 CB MET A 23 -1.872 -15.686 -13.879 1.00 0.00 C ATOM 272 CG MET A 23 -3.096 -16.609 -13.933 1.00 0.00 C ATOM 273 SD MET A 23 -3.629 -17.032 -15.608 1.00 0.00 S ATOM 274 CE MET A 23 -4.717 -15.608 -15.827 1.00 0.00 C ATOM 0 H MET A 23 -1.473 -16.649 -11.782 1.00 0.00 H new ATOM 0 HA MET A 23 -0.353 -17.185 -14.351 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.029 -14.937 -13.103 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.791 -15.152 -14.826 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.869 -17.528 -13.393 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.923 -16.128 -13.411 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.175 -15.649 -16.815 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.496 -15.625 -15.065 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.138 -14.690 -15.733 1.00 0.00 H new ATOM 284 N SER A 24 1.210 -14.992 -12.564 1.00 0.00 N ATOM 285 CA SER A 24 2.278 -14.001 -12.569 1.00 0.00 C ATOM 286 C SER A 24 3.554 -14.555 -13.225 1.00 0.00 C ATOM 287 O SER A 24 3.939 -15.692 -12.931 1.00 0.00 O ATOM 288 CB SER A 24 2.566 -13.507 -11.145 1.00 0.00 C ATOM 289 OG SER A 24 1.452 -12.815 -10.623 1.00 0.00 O ATOM 0 H SER A 24 0.948 -15.311 -11.631 1.00 0.00 H new ATOM 0 HA SER A 24 1.942 -13.153 -13.165 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.808 -14.354 -10.503 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.437 -12.852 -11.151 1.00 0.00 H new ATOM 0 HG SER A 24 0.640 -13.343 -10.771 1.00 0.00 H new ATOM 295 N PRO A 25 4.232 -13.765 -14.082 1.00 0.00 N ATOM 296 CA PRO A 25 5.591 -14.034 -14.543 1.00 0.00 C ATOM 297 C PRO A 25 6.580 -13.850 -13.383 1.00 0.00 C ATOM 298 O PRO A 25 6.166 -13.497 -12.281 1.00 0.00 O ATOM 299 CB PRO A 25 5.822 -13.029 -15.672 1.00 0.00 C ATOM 300 CG PRO A 25 5.024 -11.813 -15.226 1.00 0.00 C ATOM 301 CD PRO A 25 3.817 -12.440 -14.535 1.00 0.00 C ATOM 0 HA PRO A 25 5.735 -15.055 -14.897 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.880 -12.794 -15.792 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.470 -13.412 -16.630 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.596 -11.180 -14.547 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.729 -11.190 -16.070 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.492 -11.828 -13.694 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.973 -12.513 -15.221 1.00 0.00 H new ATOM 309 N GLU A 26 7.880 -14.086 -13.607 1.00 0.00 N ATOM 310 CA GLU A 26 8.898 -13.676 -12.639 1.00 0.00 C ATOM 311 C GLU A 26 8.786 -12.173 -12.382 1.00 0.00 C ATOM 312 O GLU A 26 9.176 -11.349 -13.212 1.00 0.00 O ATOM 313 CB GLU A 26 10.330 -14.046 -13.065 1.00 0.00 C ATOM 314 CG GLU A 26 10.913 -15.150 -12.180 1.00 0.00 C ATOM 315 CD GLU A 26 12.388 -15.437 -12.451 1.00 0.00 C ATOM 316 OE1 GLU A 26 12.791 -15.462 -13.635 1.00 0.00 O ATOM 317 OE2 GLU A 26 13.161 -15.649 -11.481 1.00 0.00 O ATOM 0 H GLU A 26 8.245 -14.552 -14.438 1.00 0.00 H new ATOM 0 HA GLU A 26 8.705 -14.228 -11.719 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.328 -14.375 -14.104 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.966 -13.162 -13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.793 -14.867 -11.134 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.340 -16.065 -12.330 1.00 0.00 H new ATOM 324 N LEU A 27 8.232 -11.849 -11.222 1.00 0.00 N ATOM 325 CA LEU A 27 8.195 -10.534 -10.627 1.00 0.00 C ATOM 326 C LEU A 27 9.456 -10.429 -9.795 1.00 0.00 C ATOM 327 O LEU A 27 9.650 -11.221 -8.871 1.00 0.00 O ATOM 328 CB LEU A 27 6.904 -10.396 -9.823 1.00 0.00 C ATOM 329 CG LEU A 27 5.904 -9.518 -10.585 1.00 0.00 C ATOM 330 CD1 LEU A 27 5.578 -10.049 -11.982 1.00 0.00 C ATOM 331 CD2 LEU A 27 4.617 -9.499 -9.784 1.00 0.00 C ATOM 0 H LEU A 27 7.769 -12.547 -10.640 1.00 0.00 H new ATOM 0 HA LEU A 27 8.181 -9.717 -11.349 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.472 -11.380 -9.641 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.118 -9.957 -8.849 1.00 0.00 H new ATOM 0 HG LEU A 27 6.350 -8.531 -10.707 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.865 -9.382 -12.467 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.491 -10.098 -12.575 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.145 -11.046 -11.900 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.879 -8.882 -10.296 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.235 -10.515 -9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.811 -9.086 -8.794 1.00 0.00 H new ATOM 343 N ASP A 28 10.349 -9.518 -10.180 1.00 0.00 N ATOM 344 CA ASP A 28 11.697 -9.450 -9.635 1.00 0.00 C ATOM 345 C ASP A 28 11.654 -9.040 -8.172 1.00 0.00 C ATOM 346 O ASP A 28 11.621 -7.851 -7.858 1.00 0.00 O ATOM 347 CB ASP A 28 12.600 -8.516 -10.442 1.00 0.00 C ATOM 348 CG ASP A 28 14.064 -8.821 -10.113 1.00 0.00 C ATOM 349 OD1 ASP A 28 14.557 -8.520 -8.999 1.00 0.00 O ATOM 350 OD2 ASP A 28 14.751 -9.443 -10.958 1.00 0.00 O ATOM 0 H ASP A 28 10.153 -8.805 -10.882 1.00 0.00 H new ATOM 0 HA ASP A 28 12.132 -10.447 -9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.420 -8.649 -11.509 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.371 -7.477 -10.207 1.00 0.00 H new ATOM 355 N THR A 29 11.608 -10.037 -7.290 1.00 0.00 N ATOM 356 CA THR A 29 11.403 -9.892 -5.856 1.00 0.00 C ATOM 357 C THR A 29 12.249 -8.749 -5.300 1.00 0.00 C ATOM 358 O THR A 29 11.708 -7.808 -4.724 1.00 0.00 O ATOM 359 CB THR A 29 11.675 -11.236 -5.157 1.00 0.00 C ATOM 360 OG1 THR A 29 12.863 -11.836 -5.647 1.00 0.00 O ATOM 361 CG2 THR A 29 10.529 -12.217 -5.394 1.00 0.00 C ATOM 0 H THR A 29 11.718 -11.011 -7.572 1.00 0.00 H new ATOM 0 HA THR A 29 10.365 -9.625 -5.657 1.00 0.00 H new ATOM 0 HB THR A 29 11.775 -11.022 -4.093 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.634 -12.530 -6.300 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.746 -13.159 -4.890 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.604 -11.798 -4.998 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.418 -12.395 -6.464 1.00 0.00 H new ATOM 369 N TYR A 30 13.562 -8.792 -5.524 1.00 0.00 N ATOM 370 CA TYR A 30 14.480 -7.769 -5.099 1.00 0.00 C ATOM 371 C TYR A 30 14.111 -6.395 -5.635 1.00 0.00 C ATOM 372 O TYR A 30 13.889 -5.486 -4.833 1.00 0.00 O ATOM 373 CB TYR A 30 15.892 -8.167 -5.527 1.00 0.00 C ATOM 374 CG TYR A 30 16.963 -7.478 -4.724 1.00 0.00 C ATOM 375 CD1 TYR A 30 16.908 -7.547 -3.322 1.00 0.00 C ATOM 376 CD2 TYR A 30 18.010 -6.797 -5.366 1.00 0.00 C ATOM 377 CE1 TYR A 30 17.925 -6.972 -2.545 1.00 0.00 C ATOM 378 CE2 TYR A 30 19.011 -6.181 -4.592 1.00 0.00 C ATOM 379 CZ TYR A 30 18.988 -6.300 -3.183 1.00 0.00 C ATOM 380 OH TYR A 30 20.012 -5.820 -2.433 1.00 0.00 O ATOM 0 H TYR A 30 14.014 -9.562 -6.018 1.00 0.00 H new ATOM 0 HA TYR A 30 14.429 -7.690 -4.013 1.00 0.00 H new ATOM 0 HB2 TYR A 30 16.006 -9.246 -5.426 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.027 -7.930 -6.582 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.079 -8.045 -2.840 1.00 0.00 H new ATOM 0 HD2 TYR A 30 18.047 -6.746 -6.444 1.00 0.00 H new ATOM 0 HE1 TYR A 30 17.894 -7.043 -1.468 1.00 0.00 H new ATOM 0 HE2 TYR A 30 19.796 -5.618 -5.074 1.00 0.00 H new ATOM 0 HH TYR A 30 20.668 -5.384 -3.016 1.00 0.00 H new ATOM 390 N SER A 31 14.046 -6.242 -6.958 1.00 0.00 N ATOM 391 CA SER A 31 13.810 -4.943 -7.563 1.00 0.00 C ATOM 392 C SER A 31 12.479 -4.362 -7.080 1.00 0.00 C ATOM 393 O SER A 31 12.452 -3.180 -6.744 1.00 0.00 O ATOM 394 CB SER A 31 13.917 -5.017 -9.094 1.00 0.00 C ATOM 395 OG SER A 31 14.695 -3.926 -9.567 1.00 0.00 O ATOM 0 H SER A 31 14.154 -7.005 -7.626 1.00 0.00 H new ATOM 0 HA SER A 31 14.590 -4.254 -7.240 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.375 -5.960 -9.392 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.923 -4.990 -9.541 1.00 0.00 H new ATOM 0 HG SER A 31 14.765 -3.973 -10.543 1.00 0.00 H new ATOM 401 N ILE A 32 11.424 -5.171 -6.947 1.00 0.00 N ATOM 402 CA ILE A 32 10.142 -4.767 -6.373 1.00 0.00 C ATOM 403 C ILE A 32 10.391 -4.273 -4.951 1.00 0.00 C ATOM 404 O ILE A 32 10.042 -3.136 -4.658 1.00 0.00 O ATOM 405 CB ILE A 32 9.126 -5.938 -6.456 1.00 0.00 C ATOM 406 CG1 ILE A 32 8.769 -6.187 -7.939 1.00 0.00 C ATOM 407 CG2 ILE A 32 7.836 -5.705 -5.633 1.00 0.00 C ATOM 408 CD1 ILE A 32 8.158 -7.565 -8.190 1.00 0.00 C ATOM 0 H ILE A 32 11.440 -6.147 -7.243 1.00 0.00 H new ATOM 0 HA ILE A 32 9.695 -3.948 -6.936 1.00 0.00 H new ATOM 0 HB ILE A 32 9.608 -6.811 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.068 -5.421 -8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.669 -6.080 -8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.175 -6.565 -5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.094 -5.574 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.329 -4.811 -5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.931 -7.675 -9.250 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.866 -8.337 -7.889 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.241 -7.667 -7.610 1.00 0.00 H new ATOM 420 N THR A 33 11.013 -5.058 -4.062 1.00 0.00 N ATOM 421 CA THR A 33 11.166 -4.636 -2.669 1.00 0.00 C ATOM 422 C THR A 33 11.924 -3.328 -2.544 1.00 0.00 C ATOM 423 O THR A 33 11.563 -2.488 -1.727 1.00 0.00 O ATOM 424 CB THR A 33 11.860 -5.692 -1.808 1.00 0.00 C ATOM 425 OG1 THR A 33 13.080 -6.168 -2.341 1.00 0.00 O ATOM 426 CG2 THR A 33 10.936 -6.879 -1.606 1.00 0.00 C ATOM 0 H THR A 33 11.411 -5.972 -4.279 1.00 0.00 H new ATOM 0 HA THR A 33 10.149 -4.496 -2.302 1.00 0.00 H new ATOM 0 HB THR A 33 12.093 -5.193 -0.867 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.246 -5.743 -3.208 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.435 -7.628 -0.992 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.024 -6.550 -1.107 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.684 -7.312 -2.574 1.00 0.00 H new ATOM 434 N LYS A 34 12.969 -3.166 -3.347 1.00 0.00 N ATOM 435 CA LYS A 34 13.757 -1.962 -3.370 1.00 0.00 C ATOM 436 C LYS A 34 12.883 -0.816 -3.871 1.00 0.00 C ATOM 437 O LYS A 34 12.690 0.120 -3.115 1.00 0.00 O ATOM 438 CB LYS A 34 15.054 -2.211 -4.150 1.00 0.00 C ATOM 439 CG LYS A 34 15.961 -0.985 -4.012 1.00 0.00 C ATOM 440 CD LYS A 34 17.450 -1.219 -4.323 1.00 0.00 C ATOM 441 CE LYS A 34 18.196 0.064 -3.926 1.00 0.00 C ATOM 442 NZ LYS A 34 19.669 -0.057 -3.917 1.00 0.00 N ATOM 0 H LYS A 34 13.288 -3.879 -4.003 1.00 0.00 H new ATOM 0 HA LYS A 34 14.090 -1.662 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.559 -3.098 -3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.832 -2.399 -5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.589 -0.204 -4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.877 -0.606 -2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.831 -2.075 -3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.594 -1.438 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.914 0.860 -4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.864 0.369 -2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.090 0.852 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.953 -0.792 -3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.002 -0.316 -4.868 1.00 0.00 H new ATOM 456 N ARG A 35 12.271 -0.905 -5.054 1.00 0.00 N ATOM 457 CA ARG A 35 11.400 0.140 -5.604 1.00 0.00 C ATOM 458 C ARG A 35 10.302 0.529 -4.612 1.00 0.00 C ATOM 459 O ARG A 35 10.003 1.704 -4.453 1.00 0.00 O ATOM 460 CB ARG A 35 10.814 -0.357 -6.940 1.00 0.00 C ATOM 461 CG ARG A 35 10.483 0.736 -7.970 1.00 0.00 C ATOM 462 CD ARG A 35 9.116 1.354 -7.683 1.00 0.00 C ATOM 463 NE ARG A 35 8.559 2.078 -8.839 1.00 0.00 N ATOM 464 CZ ARG A 35 8.872 3.320 -9.228 1.00 0.00 C ATOM 465 NH1 ARG A 35 9.763 4.050 -8.576 1.00 0.00 N ATOM 466 NH2 ARG A 35 8.301 3.846 -10.302 1.00 0.00 N ATOM 0 H ARG A 35 12.367 -1.715 -5.666 1.00 0.00 H new ATOM 0 HA ARG A 35 11.983 1.043 -5.785 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.522 -1.052 -7.390 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.905 -0.920 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.250 1.510 -7.945 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.492 0.311 -8.974 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.423 0.567 -7.385 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.203 2.039 -6.839 1.00 0.00 H new ATOM 0 HE ARG A 35 7.865 1.583 -9.399 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.231 3.669 -7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.981 4.994 -8.896 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.621 3.304 -10.835 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.542 4.793 -10.596 1.00 0.00 H new ATOM 480 N VAL A 36 9.709 -0.445 -3.926 1.00 0.00 N ATOM 481 CA VAL A 36 8.722 -0.218 -2.887 1.00 0.00 C ATOM 482 C VAL A 36 9.366 0.590 -1.761 1.00 0.00 C ATOM 483 O VAL A 36 8.869 1.661 -1.428 1.00 0.00 O ATOM 484 CB VAL A 36 8.159 -1.577 -2.424 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.400 -1.477 -1.098 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.183 -2.164 -3.460 1.00 0.00 C ATOM 0 H VAL A 36 9.909 -1.433 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 36 7.878 0.365 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 36 9.030 -2.221 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.025 -2.461 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.071 -1.110 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.563 -0.788 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.805 -3.122 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.350 -1.476 -3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.702 -2.310 -4.407 1.00 0.00 H new ATOM 496 N LYS A 37 10.448 0.082 -1.160 1.00 0.00 N ATOM 497 CA LYS A 37 11.139 0.743 -0.056 1.00 0.00 C ATOM 498 C LYS A 37 11.472 2.174 -0.405 1.00 0.00 C ATOM 499 O LYS A 37 11.227 3.034 0.428 1.00 0.00 O ATOM 500 CB LYS A 37 12.455 0.033 0.263 1.00 0.00 C ATOM 501 CG LYS A 37 12.254 -1.135 1.222 1.00 0.00 C ATOM 502 CD LYS A 37 13.603 -1.641 1.742 1.00 0.00 C ATOM 503 CE LYS A 37 14.520 -2.111 0.608 1.00 0.00 C ATOM 504 NZ LYS A 37 15.716 -2.808 1.121 1.00 0.00 N ATOM 0 H LYS A 37 10.869 -0.807 -1.431 1.00 0.00 H new ATOM 0 HA LYS A 37 10.468 0.709 0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.905 -0.330 -0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.155 0.745 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.629 -0.823 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.727 -1.943 0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.097 -0.846 2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.437 -2.464 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.967 -2.778 -0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.828 -1.253 0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.438 -2.855 0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.096 -2.289 1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.457 -3.772 1.413 1.00 0.00 H new ATOM 518 N GLU A 38 12.030 2.385 -1.592 1.00 0.00 N ATOM 519 CA GLU A 38 12.415 3.673 -2.137 1.00 0.00 C ATOM 520 C GLU A 38 11.197 4.590 -2.065 1.00 0.00 C ATOM 521 O GLU A 38 11.215 5.508 -1.258 1.00 0.00 O ATOM 522 CB GLU A 38 12.976 3.510 -3.559 1.00 0.00 C ATOM 523 CG GLU A 38 14.211 2.594 -3.653 1.00 0.00 C ATOM 524 CD GLU A 38 15.541 3.320 -3.759 1.00 0.00 C ATOM 525 OE1 GLU A 38 16.114 3.654 -2.695 1.00 0.00 O ATOM 526 OE2 GLU A 38 16.068 3.427 -4.894 1.00 0.00 O ATOM 0 H GLU A 38 12.235 1.617 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 38 13.220 4.126 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.192 3.110 -4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.238 4.494 -3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.235 1.950 -2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.098 1.945 -4.521 1.00 0.00 H new ATOM 533 N VAL A 39 10.104 4.289 -2.779 1.00 0.00 N ATOM 534 CA VAL A 39 8.875 5.088 -2.754 1.00 0.00 C ATOM 535 C VAL A 39 8.412 5.358 -1.308 1.00 0.00 C ATOM 536 O VAL A 39 8.042 6.489 -0.979 1.00 0.00 O ATOM 537 CB VAL A 39 7.790 4.391 -3.614 1.00 0.00 C ATOM 538 CG1 VAL A 39 6.413 5.066 -3.517 1.00 0.00 C ATOM 539 CG2 VAL A 39 8.172 4.368 -5.103 1.00 0.00 C ATOM 0 H VAL A 39 10.049 3.477 -3.394 1.00 0.00 H new ATOM 0 HA VAL A 39 9.069 6.068 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 39 7.730 3.381 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.700 4.529 -4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.072 5.050 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.489 6.099 -3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.386 3.871 -5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.291 5.390 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.110 3.827 -5.230 1.00 0.00 H new ATOM 549 N LEU A 40 8.417 4.355 -0.425 1.00 0.00 N ATOM 550 CA LEU A 40 7.954 4.522 0.951 1.00 0.00 C ATOM 551 C LEU A 40 8.894 5.416 1.769 1.00 0.00 C ATOM 552 O LEU A 40 8.423 6.214 2.575 1.00 0.00 O ATOM 553 CB LEU A 40 7.821 3.158 1.651 1.00 0.00 C ATOM 554 CG LEU A 40 6.794 2.177 1.066 1.00 0.00 C ATOM 555 CD1 LEU A 40 6.913 0.844 1.810 1.00 0.00 C ATOM 556 CD2 LEU A 40 5.367 2.710 1.143 1.00 0.00 C ATOM 0 H LEU A 40 8.740 3.412 -0.644 1.00 0.00 H new ATOM 0 HA LEU A 40 6.978 5.005 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.798 2.674 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.565 3.336 2.695 1.00 0.00 H new ATOM 0 HG LEU A 40 7.013 2.041 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.190 0.136 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.920 0.446 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.714 1.000 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.682 1.978 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.102 2.891 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.296 3.643 0.583 1.00 0.00 H new ATOM 568 N THR A 41 10.208 5.278 1.619 1.00 0.00 N ATOM 569 CA THR A 41 11.220 6.131 2.221 1.00 0.00 C ATOM 570 C THR A 41 11.006 7.552 1.698 1.00 0.00 C ATOM 571 O THR A 41 10.839 8.491 2.477 1.00 0.00 O ATOM 572 CB THR A 41 12.605 5.530 1.888 1.00 0.00 C ATOM 573 OG1 THR A 41 12.812 4.361 2.671 1.00 0.00 O ATOM 574 CG2 THR A 41 13.784 6.479 2.089 1.00 0.00 C ATOM 0 H THR A 41 10.611 4.535 1.049 1.00 0.00 H new ATOM 0 HA THR A 41 11.153 6.183 3.308 1.00 0.00 H new ATOM 0 HB THR A 41 12.579 5.306 0.822 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.391 3.593 2.230 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.711 5.968 1.830 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.661 7.353 1.449 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.823 6.795 3.131 1.00 0.00 H new ATOM 582 N ASP A 42 10.964 7.710 0.383 1.00 0.00 N ATOM 583 CA ASP A 42 10.966 8.976 -0.323 1.00 0.00 C ATOM 584 C ASP A 42 9.727 9.787 0.044 1.00 0.00 C ATOM 585 O ASP A 42 9.829 11.007 0.142 1.00 0.00 O ATOM 586 CB ASP A 42 11.066 8.724 -1.838 1.00 0.00 C ATOM 587 CG ASP A 42 12.378 8.051 -2.277 1.00 0.00 C ATOM 588 OD1 ASP A 42 13.358 8.043 -1.488 1.00 0.00 O ATOM 589 OD2 ASP A 42 12.392 7.486 -3.396 1.00 0.00 O ATOM 0 H ASP A 42 10.926 6.912 -0.252 1.00 0.00 H new ATOM 0 HA ASP A 42 11.835 9.563 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.228 8.099 -2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.965 9.675 -2.361 1.00 0.00 H new ATOM 594 N ASN A 43 8.585 9.141 0.320 1.00 0.00 N ATOM 595 CA ASN A 43 7.335 9.783 0.736 1.00 0.00 C ATOM 596 C ASN A 43 7.121 9.739 2.259 1.00 0.00 C ATOM 597 O ASN A 43 6.007 9.980 2.723 1.00 0.00 O ATOM 598 CB ASN A 43 6.159 9.148 -0.030 1.00 0.00 C ATOM 599 CG ASN A 43 6.236 9.474 -1.516 1.00 0.00 C ATOM 600 OD1 ASN A 43 5.849 10.553 -1.953 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.803 8.598 -2.326 1.00 0.00 N ATOM 0 H ASN A 43 8.506 8.126 0.257 1.00 0.00 H new ATOM 0 HA ASN A 43 7.395 10.842 0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.171 8.067 0.110 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.216 9.512 0.377 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.919 8.819 -3.315 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.125 7.701 -1.962 1.00 0.00 H new ATOM 608 N ASN A 44 8.147 9.402 3.056 1.00 0.00 N ATOM 609 CA ASN A 44 8.107 9.251 4.524 1.00 0.00 C ATOM 610 C ASN A 44 6.906 8.415 4.996 1.00 0.00 C ATOM 611 O ASN A 44 6.296 8.684 6.037 1.00 0.00 O ATOM 612 CB ASN A 44 8.177 10.616 5.245 1.00 0.00 C ATOM 613 CG ASN A 44 9.559 11.243 5.237 1.00 0.00 C ATOM 614 OD1 ASN A 44 10.055 11.650 4.195 1.00 0.00 O ATOM 615 ND2 ASN A 44 10.210 11.374 6.381 1.00 0.00 N ATOM 0 H ASN A 44 9.076 9.217 2.677 1.00 0.00 H new ATOM 0 HA ASN A 44 9.001 8.693 4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.474 11.302 4.773 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.852 10.488 6.278 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.129 11.816 6.397 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.793 11.033 7.247 1.00 0.00 H new ATOM 622 N LEU A 45 6.520 7.394 4.236 1.00 0.00 N ATOM 623 CA LEU A 45 5.433 6.488 4.575 1.00 0.00 C ATOM 624 C LEU A 45 5.958 5.399 5.495 1.00 0.00 C ATOM 625 O LEU A 45 7.036 4.847 5.263 1.00 0.00 O ATOM 626 CB LEU A 45 4.896 5.836 3.302 1.00 0.00 C ATOM 627 CG LEU A 45 4.011 6.774 2.468 1.00 0.00 C ATOM 628 CD1 LEU A 45 3.862 6.164 1.077 1.00 0.00 C ATOM 629 CD2 LEU A 45 2.629 6.940 3.106 1.00 0.00 C ATOM 0 H LEU A 45 6.967 7.171 3.347 1.00 0.00 H new ATOM 0 HA LEU A 45 4.638 7.047 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.735 5.501 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.322 4.949 3.570 1.00 0.00 H new ATOM 0 HG LEU A 45 4.474 7.759 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.237 6.810 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.845 6.064 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.398 5.181 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.024 7.609 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.140 5.968 3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.738 7.361 4.105 1.00 0.00 H new ATOM 641 N GLY A 46 5.175 5.035 6.506 1.00 0.00 N ATOM 642 CA GLY A 46 5.520 3.936 7.388 1.00 0.00 C ATOM 643 C GLY A 46 5.426 2.617 6.632 1.00 0.00 C ATOM 644 O GLY A 46 4.368 2.306 6.079 1.00 0.00 O ATOM 0 H GLY A 46 4.292 5.492 6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.530 4.072 7.776 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.848 3.922 8.246 1.00 0.00 H new ATOM 648 N GLN A 47 6.488 1.806 6.671 1.00 0.00 N ATOM 649 CA GLN A 47 6.456 0.428 6.176 1.00 0.00 C ATOM 650 C GLN A 47 5.312 -0.360 6.813 1.00 0.00 C ATOM 651 O GLN A 47 4.730 -1.208 6.144 1.00 0.00 O ATOM 652 CB GLN A 47 7.782 -0.284 6.478 1.00 0.00 C ATOM 653 CG GLN A 47 8.845 -0.045 5.404 1.00 0.00 C ATOM 654 CD GLN A 47 10.231 -0.298 5.972 1.00 0.00 C ATOM 655 OE1 GLN A 47 10.778 0.568 6.649 1.00 0.00 O ATOM 656 NE2 GLN A 47 10.796 -1.479 5.795 1.00 0.00 N ATOM 0 H GLN A 47 7.394 2.087 7.047 1.00 0.00 H new ATOM 0 HA GLN A 47 6.301 0.472 5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.162 0.059 7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.601 -1.355 6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.667 -0.703 4.553 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.776 0.979 5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.329 -2.188 5.230 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.699 -1.682 6.224 1.00 0.00 H new ATOM 665 N ARG A 48 4.980 -0.093 8.084 1.00 0.00 N ATOM 666 CA ARG A 48 3.857 -0.747 8.745 1.00 0.00 C ATOM 667 C ARG A 48 2.561 -0.464 7.992 1.00 0.00 C ATOM 668 O ARG A 48 1.877 -1.418 7.666 1.00 0.00 O ATOM 669 CB ARG A 48 3.787 -0.347 10.227 1.00 0.00 C ATOM 670 CG ARG A 48 2.636 -1.068 10.949 1.00 0.00 C ATOM 671 CD ARG A 48 2.679 -0.817 12.460 1.00 0.00 C ATOM 672 NE ARG A 48 1.406 -1.178 13.095 1.00 0.00 N ATOM 673 CZ ARG A 48 0.993 -2.357 13.567 1.00 0.00 C ATOM 674 NH1 ARG A 48 1.785 -3.423 13.645 1.00 0.00 N ATOM 675 NH2 ARG A 48 -0.262 -2.458 13.966 1.00 0.00 N ATOM 0 H ARG A 48 5.479 0.575 8.671 1.00 0.00 H new ATOM 0 HA ARG A 48 4.008 -1.826 8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.732 -0.587 10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.651 0.731 10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.682 -0.725 10.549 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.697 -2.139 10.755 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.488 -1.397 12.905 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.898 0.234 12.651 1.00 0.00 H new ATOM 0 HE ARG A 48 0.737 -0.414 13.190 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.755 -3.361 13.336 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.422 -4.302 14.013 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.882 -1.650 13.908 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.611 -3.344 14.332 1.00 0.00 H new ATOM 689 N LEU A 49 2.242 0.797 7.685 1.00 0.00 N ATOM 690 CA LEU A 49 1.056 1.202 6.930 1.00 0.00 C ATOM 691 C LEU A 49 0.991 0.408 5.633 1.00 0.00 C ATOM 692 O LEU A 49 0.005 -0.272 5.374 1.00 0.00 O ATOM 693 CB LEU A 49 1.139 2.726 6.655 1.00 0.00 C ATOM 694 CG LEU A 49 -0.178 3.519 6.554 1.00 0.00 C ATOM 695 CD1 LEU A 49 0.118 4.924 6.004 1.00 0.00 C ATOM 696 CD2 LEU A 49 -1.300 2.863 5.768 1.00 0.00 C ATOM 0 H LEU A 49 2.822 1.588 7.965 1.00 0.00 H new ATOM 0 HA LEU A 49 0.148 0.998 7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.739 3.175 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.685 2.867 5.722 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.566 3.560 7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.811 5.489 5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.805 5.440 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.571 4.840 5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.173 3.515 5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.974 2.692 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.559 1.910 6.230 1.00 0.00 H new ATOM 708 N PHE A 50 2.057 0.454 4.832 1.00 0.00 N ATOM 709 CA PHE A 50 2.123 -0.283 3.578 1.00 0.00 C ATOM 710 C PHE A 50 1.829 -1.767 3.816 1.00 0.00 C ATOM 711 O PHE A 50 0.965 -2.356 3.167 1.00 0.00 O ATOM 712 CB PHE A 50 3.503 -0.064 2.957 1.00 0.00 C ATOM 713 CG PHE A 50 3.779 -0.946 1.760 1.00 0.00 C ATOM 714 CD1 PHE A 50 3.305 -0.576 0.489 1.00 0.00 C ATOM 715 CD2 PHE A 50 4.524 -2.132 1.919 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.602 -1.372 -0.627 1.00 0.00 C ATOM 717 CE2 PHE A 50 4.819 -2.931 0.802 1.00 0.00 C ATOM 718 CZ PHE A 50 4.371 -2.533 -0.469 1.00 0.00 C ATOM 0 H PHE A 50 2.893 1.002 5.037 1.00 0.00 H new ATOM 0 HA PHE A 50 1.366 0.081 2.883 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.595 0.980 2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.265 -0.246 3.715 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.713 0.320 0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.868 -2.426 2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.239 -1.091 -1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.385 -3.843 0.919 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.622 -3.129 -1.334 1.00 0.00 H new ATOM 728 N GLY A 51 2.522 -2.378 4.774 1.00 0.00 N ATOM 729 CA GLY A 51 2.350 -3.781 5.077 1.00 0.00 C ATOM 730 C GLY A 51 1.038 -4.106 5.769 1.00 0.00 C ATOM 731 O GLY A 51 0.771 -5.284 5.929 1.00 0.00 O ATOM 0 H GLY A 51 3.215 -1.908 5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.412 -4.353 4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.174 -4.109 5.710 1.00 0.00 H new ATOM 735 N GLU A 52 0.234 -3.135 6.188 1.00 0.00 N ATOM 736 CA GLU A 52 -1.091 -3.328 6.747 1.00 0.00 C ATOM 737 C GLU A 52 -2.105 -3.240 5.613 1.00 0.00 C ATOM 738 O GLU A 52 -2.785 -4.221 5.312 1.00 0.00 O ATOM 739 CB GLU A 52 -1.359 -2.269 7.832 1.00 0.00 C ATOM 740 CG GLU A 52 -0.796 -2.681 9.197 1.00 0.00 C ATOM 741 CD GLU A 52 -1.730 -2.239 10.321 1.00 0.00 C ATOM 742 OE1 GLU A 52 -1.725 -1.036 10.672 1.00 0.00 O ATOM 743 OE2 GLU A 52 -2.468 -3.080 10.873 1.00 0.00 O ATOM 0 H GLU A 52 0.503 -2.152 6.144 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.173 -4.307 7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.915 -1.321 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.433 -2.104 7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.665 -3.763 9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.189 -2.236 9.339 1.00 0.00 H new ATOM 750 N SER A 53 -2.193 -2.072 4.980 1.00 0.00 N ATOM 751 CA SER A 53 -3.203 -1.749 3.994 1.00 0.00 C ATOM 752 C SER A 53 -3.044 -2.588 2.732 1.00 0.00 C ATOM 753 O SER A 53 -4.038 -3.061 2.175 1.00 0.00 O ATOM 754 CB SER A 53 -3.056 -0.272 3.634 1.00 0.00 C ATOM 755 OG SER A 53 -2.998 0.540 4.787 1.00 0.00 O ATOM 0 H SER A 53 -1.541 -1.306 5.149 1.00 0.00 H new ATOM 0 HA SER A 53 -4.187 -1.961 4.413 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.152 -0.129 3.042 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.896 0.037 3.012 1.00 0.00 H new ATOM 0 HG SER A 53 -3.904 0.817 5.038 1.00 0.00 H new ATOM 761 N ILE A 54 -1.813 -2.709 2.231 1.00 0.00 N ATOM 762 CA ILE A 54 -1.524 -3.447 1.009 1.00 0.00 C ATOM 763 C ILE A 54 -1.488 -4.916 1.393 1.00 0.00 C ATOM 764 O ILE A 54 -2.274 -5.699 0.859 1.00 0.00 O ATOM 765 CB ILE A 54 -0.229 -2.952 0.314 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.221 -1.410 0.184 1.00 0.00 C ATOM 767 CG2 ILE A 54 0.020 -3.593 -1.071 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.539 -0.765 -0.278 1.00 0.00 C ATOM 0 H ILE A 54 -0.989 -2.295 2.666 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.296 -3.282 0.257 1.00 0.00 H new ATOM 0 HB ILE A 54 0.587 -3.272 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.049 -0.985 1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.564 -1.129 -0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.943 -3.198 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.105 -4.674 -0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.812 -3.360 -1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.415 0.317 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.807 -1.150 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.330 -1.004 0.433 1.00 0.00 H new ATOM 780 N LEU A 55 -0.562 -5.278 2.293 1.00 0.00 N ATOM 781 CA LEU A 55 -0.224 -6.681 2.507 1.00 0.00 C ATOM 782 C LEU A 55 -1.153 -7.340 3.532 1.00 0.00 C ATOM 783 O LEU A 55 -1.962 -8.185 3.147 1.00 0.00 O ATOM 784 CB LEU A 55 1.285 -6.838 2.765 1.00 0.00 C ATOM 785 CG LEU A 55 2.151 -6.236 1.628 1.00 0.00 C ATOM 786 CD1 LEU A 55 3.638 -6.503 1.856 1.00 0.00 C ATOM 787 CD2 LEU A 55 1.777 -6.783 0.247 1.00 0.00 C ATOM 0 H LEU A 55 -0.042 -4.622 2.876 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.412 -7.248 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.541 -6.353 3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.523 -7.896 2.876 1.00 0.00 H new ATOM 0 HG LEU A 55 1.952 -5.165 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.215 -6.067 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.948 -6.054 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.813 -7.578 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.415 -6.327 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.915 -7.864 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.735 -6.548 0.033 1.00 0.00 H new ATOM 799 N GLY A 56 -1.047 -6.991 4.811 1.00 0.00 N ATOM 800 CA GLY A 56 -1.700 -7.654 5.936 1.00 0.00 C ATOM 801 C GLY A 56 -0.693 -8.387 6.831 1.00 0.00 C ATOM 802 O GLY A 56 -1.005 -9.454 7.360 1.00 0.00 O ATOM 0 H GLY A 56 -0.475 -6.199 5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.242 -6.916 6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.437 -8.364 5.561 1.00 0.00 H new ATOM 806 N LEU A 57 0.531 -7.871 6.973 1.00 0.00 N ATOM 807 CA LEU A 57 1.641 -8.490 7.690 1.00 0.00 C ATOM 808 C LEU A 57 1.907 -7.745 9.005 1.00 0.00 C ATOM 809 O LEU A 57 1.284 -6.715 9.276 1.00 0.00 O ATOM 810 CB LEU A 57 2.857 -8.499 6.752 1.00 0.00 C ATOM 811 CG LEU A 57 2.677 -9.487 5.580 1.00 0.00 C ATOM 812 CD1 LEU A 57 3.741 -9.223 4.515 1.00 0.00 C ATOM 813 CD2 LEU A 57 2.744 -10.947 6.052 1.00 0.00 C ATOM 0 H LEU A 57 0.783 -6.968 6.571 1.00 0.00 H new ATOM 0 HA LEU A 57 1.409 -9.518 7.969 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.018 -7.495 6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.749 -8.767 7.318 1.00 0.00 H new ATOM 0 HG LEU A 57 1.687 -9.328 5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.611 -9.922 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.641 -8.202 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.732 -9.356 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.613 -11.612 5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.713 -11.136 6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.953 -11.131 6.780 1.00 0.00 H new ATOM 825 N THR A 58 2.825 -8.246 9.838 1.00 0.00 N ATOM 826 CA THR A 58 3.365 -7.439 10.930 1.00 0.00 C ATOM 827 C THR A 58 4.422 -6.488 10.351 1.00 0.00 C ATOM 828 O THR A 58 4.947 -6.725 9.257 1.00 0.00 O ATOM 829 CB THR A 58 3.958 -8.308 12.055 1.00 0.00 C ATOM 830 OG1 THR A 58 5.189 -8.872 11.672 1.00 0.00 O ATOM 831 CG2 THR A 58 3.018 -9.403 12.550 1.00 0.00 C ATOM 0 H THR A 58 3.203 -9.191 9.777 1.00 0.00 H new ATOM 0 HA THR A 58 2.555 -6.867 11.383 1.00 0.00 H new ATOM 0 HB THR A 58 4.114 -7.625 12.890 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.542 -9.417 12.406 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.507 -9.972 13.341 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.105 -8.951 12.939 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.769 -10.070 11.724 1.00 0.00 H new ATOM 839 N GLN A 59 4.817 -5.458 11.108 1.00 0.00 N ATOM 840 CA GLN A 59 5.964 -4.644 10.723 1.00 0.00 C ATOM 841 C GLN A 59 7.244 -5.485 10.715 1.00 0.00 C ATOM 842 O GLN A 59 8.099 -5.236 9.866 1.00 0.00 O ATOM 843 CB GLN A 59 6.100 -3.434 11.656 1.00 0.00 C ATOM 844 CG GLN A 59 7.297 -2.529 11.306 1.00 0.00 C ATOM 845 CD GLN A 59 7.429 -1.401 12.317 1.00 0.00 C ATOM 846 OE1 GLN A 59 6.473 -0.681 12.572 1.00 0.00 O ATOM 847 NE2 GLN A 59 8.572 -1.251 12.961 1.00 0.00 N ATOM 0 H GLN A 59 4.364 -5.175 11.977 1.00 0.00 H new ATOM 0 HA GLN A 59 5.803 -4.272 9.711 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.183 -2.846 11.613 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.206 -3.785 12.682 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.213 -3.119 11.290 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.167 -2.115 10.306 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.364 -1.856 12.742 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.663 -0.531 13.677 1.00 0.00 H new ATOM 856 N GLY A 60 7.400 -6.444 11.633 1.00 0.00 N ATOM 857 CA GLY A 60 8.586 -7.281 11.709 1.00 0.00 C ATOM 858 C GLY A 60 8.718 -8.111 10.438 1.00 0.00 C ATOM 859 O GLY A 60 9.775 -8.085 9.802 1.00 0.00 O ATOM 0 H GLY A 60 6.700 -6.657 12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.472 -6.660 11.842 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.524 -7.937 12.577 1.00 0.00 H new ATOM 863 N SER A 61 7.627 -8.769 10.038 1.00 0.00 N ATOM 864 CA SER A 61 7.530 -9.571 8.831 1.00 0.00 C ATOM 865 C SER A 61 7.858 -8.705 7.619 1.00 0.00 C ATOM 866 O SER A 61 8.741 -9.064 6.842 1.00 0.00 O ATOM 867 CB SER A 61 6.115 -10.149 8.695 1.00 0.00 C ATOM 868 OG SER A 61 5.681 -10.809 9.867 1.00 0.00 O ATOM 0 H SER A 61 6.758 -8.753 10.571 1.00 0.00 H new ATOM 0 HA SER A 61 8.240 -10.396 8.889 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.419 -9.344 8.457 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.091 -10.848 7.859 1.00 0.00 H new ATOM 0 HG SER A 61 5.236 -10.167 10.459 1.00 0.00 H new ATOM 874 N VAL A 62 7.171 -7.568 7.452 1.00 0.00 N ATOM 875 CA VAL A 62 7.335 -6.724 6.275 1.00 0.00 C ATOM 876 C VAL A 62 8.744 -6.131 6.222 1.00 0.00 C ATOM 877 O VAL A 62 9.300 -5.974 5.136 1.00 0.00 O ATOM 878 CB VAL A 62 6.202 -5.670 6.218 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.609 -4.215 6.510 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.533 -5.733 4.846 1.00 0.00 C ATOM 0 H VAL A 62 6.492 -7.214 8.126 1.00 0.00 H new ATOM 0 HA VAL A 62 7.240 -7.325 5.371 1.00 0.00 H new ATOM 0 HB VAL A 62 5.527 -5.940 7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.732 -3.571 6.440 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.029 -4.149 7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.354 -3.893 5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.733 -4.994 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.270 -5.522 4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.117 -6.728 4.689 1.00 0.00 H new ATOM 890 N SER A 63 9.342 -5.828 7.376 1.00 0.00 N ATOM 891 CA SER A 63 10.715 -5.372 7.449 1.00 0.00 C ATOM 892 C SER A 63 11.625 -6.455 6.897 1.00 0.00 C ATOM 893 O SER A 63 12.375 -6.174 5.969 1.00 0.00 O ATOM 894 CB SER A 63 11.078 -4.999 8.884 1.00 0.00 C ATOM 895 OG SER A 63 10.299 -3.881 9.268 1.00 0.00 O ATOM 0 H SER A 63 8.880 -5.895 8.283 1.00 0.00 H new ATOM 0 HA SER A 63 10.842 -4.473 6.846 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.890 -5.839 9.553 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.140 -4.764 8.957 1.00 0.00 H new ATOM 0 HG SER A 63 9.506 -4.187 9.755 1.00 0.00 H new ATOM 901 N ASP A 64 11.525 -7.690 7.395 1.00 0.00 N ATOM 902 CA ASP A 64 12.350 -8.784 6.894 1.00 0.00 C ATOM 903 C ASP A 64 12.080 -9.059 5.419 1.00 0.00 C ATOM 904 O ASP A 64 13.011 -9.407 4.700 1.00 0.00 O ATOM 905 CB ASP A 64 12.155 -10.057 7.723 1.00 0.00 C ATOM 906 CG ASP A 64 13.161 -10.089 8.871 1.00 0.00 C ATOM 907 OD1 ASP A 64 14.370 -10.302 8.617 1.00 0.00 O ATOM 908 OD2 ASP A 64 12.760 -9.886 10.034 1.00 0.00 O ATOM 0 H ASP A 64 10.882 -7.954 8.142 1.00 0.00 H new ATOM 0 HA ASP A 64 13.389 -8.471 6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.139 -10.093 8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.283 -10.936 7.091 1.00 0.00 H new ATOM 913 N LEU A 65 10.839 -8.884 4.952 1.00 0.00 N ATOM 914 CA LEU A 65 10.470 -9.071 3.559 1.00 0.00 C ATOM 915 C LEU A 65 11.186 -8.066 2.664 1.00 0.00 C ATOM 916 O LEU A 65 11.709 -8.443 1.621 1.00 0.00 O ATOM 917 CB LEU A 65 8.943 -8.944 3.399 1.00 0.00 C ATOM 918 CG LEU A 65 8.427 -9.833 2.260 1.00 0.00 C ATOM 919 CD1 LEU A 65 8.415 -11.295 2.721 1.00 0.00 C ATOM 920 CD2 LEU A 65 7.010 -9.430 1.849 1.00 0.00 C ATOM 0 H LEU A 65 10.058 -8.605 5.545 1.00 0.00 H new ATOM 0 HA LEU A 65 10.777 -10.071 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.453 -9.223 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.681 -7.905 3.200 1.00 0.00 H new ATOM 0 HG LEU A 65 9.089 -9.710 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.049 -11.928 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.426 -11.600 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.762 -11.398 3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.668 -10.076 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.340 -9.533 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.010 -8.394 1.511 1.00 0.00 H new ATOM 932 N LEU A 66 11.184 -6.788 3.046 1.00 0.00 N ATOM 933 CA LEU A 66 11.756 -5.709 2.248 1.00 0.00 C ATOM 934 C LEU A 66 13.276 -5.616 2.405 1.00 0.00 C ATOM 935 O LEU A 66 13.981 -5.175 1.498 1.00 0.00 O ATOM 936 CB LEU A 66 11.086 -4.390 2.664 1.00 0.00 C ATOM 937 CG LEU A 66 9.593 -4.270 2.300 1.00 0.00 C ATOM 938 CD1 LEU A 66 9.058 -2.904 2.735 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.381 -4.453 0.801 1.00 0.00 C ATOM 0 H LEU A 66 10.780 -6.472 3.928 1.00 0.00 H new ATOM 0 HA LEU A 66 11.567 -5.914 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.191 -4.272 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.625 -3.565 2.199 1.00 0.00 H new ATOM 0 HG LEU A 66 9.050 -5.057 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.002 -2.827 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.175 -2.794 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.615 -2.117 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.319 -4.364 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.936 -3.687 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.736 -5.439 0.501 1.00 0.00 H new ATOM 951 N SER A 67 13.782 -6.020 3.562 1.00 0.00 N ATOM 952 CA SER A 67 15.190 -6.132 3.899 1.00 0.00 C ATOM 953 C SER A 67 15.790 -7.293 3.111 1.00 0.00 C ATOM 954 O SER A 67 16.624 -7.088 2.228 1.00 0.00 O ATOM 955 CB SER A 67 15.310 -6.341 5.414 1.00 0.00 C ATOM 956 OG SER A 67 16.644 -6.436 5.871 1.00 0.00 O ATOM 0 H SER A 67 13.180 -6.295 4.338 1.00 0.00 H new ATOM 0 HA SER A 67 15.739 -5.228 3.635 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.818 -5.514 5.926 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.775 -7.250 5.690 1.00 0.00 H new ATOM 0 HG SER A 67 16.649 -6.566 6.842 1.00 0.00 H new ATOM 962 N ARG A 68 15.366 -8.521 3.403 1.00 0.00 N ATOM 963 CA ARG A 68 15.959 -9.746 2.891 1.00 0.00 C ATOM 964 C ARG A 68 14.843 -10.553 2.224 1.00 0.00 C ATOM 965 O ARG A 68 14.430 -11.582 2.766 1.00 0.00 O ATOM 966 CB ARG A 68 16.693 -10.476 4.035 1.00 0.00 C ATOM 967 CG ARG A 68 17.948 -9.705 4.489 1.00 0.00 C ATOM 968 CD ARG A 68 18.762 -10.433 5.568 1.00 0.00 C ATOM 969 NE ARG A 68 18.245 -10.254 6.942 1.00 0.00 N ATOM 970 CZ ARG A 68 18.681 -9.348 7.832 1.00 0.00 C ATOM 971 NH1 ARG A 68 19.411 -8.313 7.442 1.00 0.00 N ATOM 972 NH2 ARG A 68 18.441 -9.494 9.128 1.00 0.00 N ATOM 0 H ARG A 68 14.574 -8.692 4.023 1.00 0.00 H new ATOM 0 HA ARG A 68 16.721 -9.564 2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.017 -10.601 4.881 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.979 -11.475 3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.586 -9.526 3.624 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.646 -8.729 4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 68 18.782 -11.498 5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 68 19.792 -10.079 5.531 1.00 0.00 H new ATOM 0 HE ARG A 68 17.491 -10.873 7.240 1.00 0.00 H new ATOM 0 HH11 ARG A 68 19.647 -8.198 6.456 1.00 0.00 H new ATOM 0 HH12 ARG A 68 19.736 -7.631 8.127 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.918 -10.304 9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.779 -8.797 9.791 1.00 0.00 H new ATOM 986 N PRO A 69 14.353 -10.126 1.043 1.00 0.00 N ATOM 987 CA PRO A 69 13.366 -10.884 0.287 1.00 0.00 C ATOM 988 C PRO A 69 13.968 -12.224 -0.094 1.00 0.00 C ATOM 989 O PRO A 69 15.138 -12.285 -0.480 1.00 0.00 O ATOM 990 CB PRO A 69 13.064 -10.060 -0.961 1.00 0.00 C ATOM 991 CG PRO A 69 14.326 -9.233 -1.156 1.00 0.00 C ATOM 992 CD PRO A 69 14.785 -8.968 0.274 1.00 0.00 C ATOM 0 HA PRO A 69 12.456 -11.068 0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.864 -10.696 -1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.187 -9.427 -0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.079 -9.775 -1.728 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.123 -8.307 -1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.867 -8.846 0.322 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.343 -8.051 0.664 1.00 0.00 H new ATOM 1000 N LYS A 70 13.166 -13.285 -0.040 1.00 0.00 N ATOM 1001 CA LYS A 70 13.549 -14.495 -0.747 1.00 0.00 C ATOM 1002 C LYS A 70 13.260 -14.290 -2.241 1.00 0.00 C ATOM 1003 O LYS A 70 12.335 -13.548 -2.572 1.00 0.00 O ATOM 1004 CB LYS A 70 12.804 -15.717 -0.207 1.00 0.00 C ATOM 1005 CG LYS A 70 13.507 -16.341 1.010 1.00 0.00 C ATOM 1006 CD LYS A 70 12.573 -16.583 2.196 1.00 0.00 C ATOM 1007 CE LYS A 70 12.223 -15.252 2.871 1.00 0.00 C ATOM 1008 NZ LYS A 70 11.336 -15.452 4.027 1.00 0.00 N ATOM 0 H LYS A 70 12.281 -13.330 0.466 1.00 0.00 H new ATOM 0 HA LYS A 70 14.612 -14.685 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.790 -15.428 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.717 -16.464 -0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.957 -17.288 0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.320 -15.687 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.663 -17.078 1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.050 -17.250 2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.138 -14.755 3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.740 -14.593 2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.118 -14.532 4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.454 -15.904 3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.808 -16.061 4.725 1.00 0.00 H new ATOM 1022 N PRO A 71 14.008 -14.972 -3.118 1.00 0.00 N ATOM 1023 CA PRO A 71 13.853 -14.912 -4.561 1.00 0.00 C ATOM 1024 C PRO A 71 12.546 -15.559 -5.013 1.00 0.00 C ATOM 1025 O PRO A 71 11.966 -16.395 -4.314 1.00 0.00 O ATOM 1026 CB PRO A 71 15.074 -15.639 -5.132 1.00 0.00 C ATOM 1027 CG PRO A 71 15.536 -16.553 -4.013 1.00 0.00 C ATOM 1028 CD PRO A 71 15.125 -15.812 -2.753 1.00 0.00 C ATOM 0 HA PRO A 71 13.800 -13.883 -4.916 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.815 -16.207 -6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.856 -14.936 -5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.062 -17.533 -4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.613 -16.717 -4.048 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.844 -16.511 -1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.951 -15.214 -2.368 1.00 0.00 H new ATOM 1036 N TRP A 72 12.125 -15.254 -6.241 1.00 0.00 N ATOM 1037 CA TRP A 72 10.889 -15.774 -6.810 1.00 0.00 C ATOM 1038 C TRP A 72 10.907 -17.310 -6.868 1.00 0.00 C ATOM 1039 O TRP A 72 9.865 -17.928 -6.650 1.00 0.00 O ATOM 1040 CB TRP A 72 10.665 -15.131 -8.184 1.00 0.00 C ATOM 1041 CG TRP A 72 9.352 -15.409 -8.845 1.00 0.00 C ATOM 1042 CD1 TRP A 72 9.163 -16.312 -9.830 1.00 0.00 C ATOM 1043 CD2 TRP A 72 8.062 -14.745 -8.671 1.00 0.00 C ATOM 1044 NE1 TRP A 72 7.857 -16.274 -10.262 1.00 0.00 N ATOM 1045 CE2 TRP A 72 7.128 -15.337 -9.573 1.00 0.00 C ATOM 1046 CE3 TRP A 72 7.590 -13.680 -7.875 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 5.792 -14.931 -9.651 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 6.249 -13.258 -7.948 1.00 0.00 C ATOM 1049 CH2 TRP A 72 5.351 -13.887 -8.829 1.00 0.00 C ATOM 0 H TRP A 72 12.638 -14.635 -6.869 1.00 0.00 H new ATOM 0 HA TRP A 72 10.047 -15.511 -6.170 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.771 -14.051 -8.077 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.460 -15.465 -8.851 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.926 -16.969 -10.222 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.479 -16.867 -11.001 1.00 0.00 H new ATOM 0 HE3 TRP A 72 8.268 -13.181 -7.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 5.111 -15.415 -10.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.907 -12.446 -7.323 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.321 -13.565 -8.871 1.00 0.00 H new ATOM 1060 N HIS A 73 12.070 -17.946 -7.085 1.00 0.00 N ATOM 1061 CA HIS A 73 12.189 -19.406 -7.051 1.00 0.00 C ATOM 1062 C HIS A 73 11.824 -19.957 -5.660 1.00 0.00 C ATOM 1063 O HIS A 73 10.931 -20.797 -5.544 1.00 0.00 O ATOM 1064 CB HIS A 73 13.561 -19.886 -7.576 1.00 0.00 C ATOM 1065 CG HIS A 73 14.748 -19.789 -6.643 1.00 0.00 C ATOM 1066 ND1 HIS A 73 15.716 -18.807 -6.647 1.00 0.00 N ATOM 1067 CD2 HIS A 73 15.112 -20.716 -5.701 1.00 0.00 C ATOM 1068 CE1 HIS A 73 16.610 -19.110 -5.690 1.00 0.00 C ATOM 1069 NE2 HIS A 73 16.294 -20.274 -5.101 1.00 0.00 N ATOM 0 H HIS A 73 12.946 -17.464 -7.287 1.00 0.00 H new ATOM 0 HA HIS A 73 11.459 -19.826 -7.743 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.458 -20.928 -7.879 1.00 0.00 H new ATOM 0 HB3 HIS A 73 13.794 -19.315 -8.475 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.580 -21.626 -5.465 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.464 -18.501 -5.431 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.815 -20.744 -4.360 1.00 0.00 H new ATOM 1077 N LYS A 74 12.456 -19.438 -4.598 1.00 0.00 N ATOM 1078 CA LYS A 74 12.248 -19.824 -3.193 1.00 0.00 C ATOM 1079 C LYS A 74 10.783 -19.726 -2.792 1.00 0.00 C ATOM 1080 O LYS A 74 10.270 -20.554 -2.030 1.00 0.00 O ATOM 1081 CB LYS A 74 13.075 -18.895 -2.293 1.00 0.00 C ATOM 1082 CG LYS A 74 14.536 -19.342 -2.228 1.00 0.00 C ATOM 1083 CD LYS A 74 14.813 -20.339 -1.101 1.00 0.00 C ATOM 1084 CE LYS A 74 15.874 -19.752 -0.170 1.00 0.00 C ATOM 1085 NZ LYS A 74 16.233 -20.679 0.924 1.00 0.00 N ATOM 0 H LYS A 74 13.158 -18.705 -4.698 1.00 0.00 H new ATOM 0 HA LYS A 74 12.562 -20.861 -3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.021 -17.875 -2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.650 -18.885 -1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.813 -19.794 -3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 74 15.171 -18.466 -2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.897 -20.545 -0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.156 -21.288 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.767 -19.510 -0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.506 -18.818 0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.955 -20.239 1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.387 -20.890 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.609 -21.561 0.522 1.00 0.00 H new ATOM 1099 N LEU A 75 10.135 -18.650 -3.225 1.00 0.00 N ATOM 1100 CA LEU A 75 8.791 -18.302 -2.820 1.00 0.00 C ATOM 1101 C LEU A 75 7.802 -19.178 -3.590 1.00 0.00 C ATOM 1102 O LEU A 75 7.765 -19.150 -4.816 1.00 0.00 O ATOM 1103 CB LEU A 75 8.563 -16.818 -3.131 1.00 0.00 C ATOM 1104 CG LEU A 75 9.371 -15.831 -2.269 1.00 0.00 C ATOM 1105 CD1 LEU A 75 9.062 -14.433 -2.794 1.00 0.00 C ATOM 1106 CD2 LEU A 75 9.038 -15.894 -0.772 1.00 0.00 C ATOM 0 H LEU A 75 10.544 -17.985 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 75 8.646 -18.469 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.806 -16.642 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.503 -16.597 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 75 10.426 -16.093 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.614 -13.695 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.357 -14.364 -3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.993 -14.239 -2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.648 -15.169 -0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.983 -15.662 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.246 -16.895 -0.395 1.00 0.00 H new ATOM 1118 N SER A 76 6.982 -19.949 -2.875 1.00 0.00 N ATOM 1119 CA SER A 76 5.802 -20.635 -3.429 1.00 0.00 C ATOM 1120 C SER A 76 4.729 -19.588 -3.802 1.00 0.00 C ATOM 1121 O SER A 76 4.980 -18.397 -3.645 1.00 0.00 O ATOM 1122 CB SER A 76 5.265 -21.663 -2.411 1.00 0.00 C ATOM 1123 OG SER A 76 6.200 -21.958 -1.383 1.00 0.00 O ATOM 0 H SER A 76 7.116 -20.121 -1.879 1.00 0.00 H new ATOM 0 HA SER A 76 6.077 -21.178 -4.333 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.348 -21.280 -1.963 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.004 -22.583 -2.934 1.00 0.00 H new ATOM 0 HG SER A 76 5.811 -22.611 -0.765 1.00 0.00 H new ATOM 1129 N LEU A 77 3.511 -19.966 -4.215 1.00 0.00 N ATOM 1130 CA LEU A 77 2.446 -18.986 -4.505 1.00 0.00 C ATOM 1131 C LEU A 77 2.181 -18.111 -3.273 1.00 0.00 C ATOM 1132 O LEU A 77 2.308 -16.895 -3.335 1.00 0.00 O ATOM 1133 CB LEU A 77 1.152 -19.648 -4.996 1.00 0.00 C ATOM 1134 CG LEU A 77 1.315 -20.502 -6.268 1.00 0.00 C ATOM 1135 CD1 LEU A 77 -0.012 -21.196 -6.555 1.00 0.00 C ATOM 1136 CD2 LEU A 77 1.737 -19.693 -7.496 1.00 0.00 C ATOM 0 H LEU A 77 3.236 -20.938 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 77 2.800 -18.356 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.756 -20.277 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.411 -18.872 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 77 2.114 -21.219 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.083 -21.806 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.280 -21.832 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.789 -20.447 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.833 -20.358 -8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.984 -18.933 -7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.695 -19.211 -7.302 1.00 0.00 H new ATOM 1148 N LYS A 78 1.934 -18.718 -2.110 1.00 0.00 N ATOM 1149 CA LYS A 78 1.893 -18.040 -0.812 1.00 0.00 C ATOM 1150 C LYS A 78 3.124 -17.178 -0.538 1.00 0.00 C ATOM 1151 O LYS A 78 3.033 -16.138 0.119 1.00 0.00 O ATOM 1152 CB LYS A 78 1.678 -19.027 0.342 1.00 0.00 C ATOM 1153 CG LYS A 78 2.497 -20.324 0.323 1.00 0.00 C ATOM 1154 CD LYS A 78 1.850 -21.399 -0.563 1.00 0.00 C ATOM 1155 CE LYS A 78 2.314 -22.822 -0.268 1.00 0.00 C ATOM 1156 NZ LYS A 78 1.633 -23.375 0.915 1.00 0.00 N ATOM 0 H LYS A 78 1.752 -19.719 -2.043 1.00 0.00 H new ATOM 0 HA LYS A 78 1.035 -17.370 -0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.893 -18.506 1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.622 -19.296 0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.503 -20.112 -0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.598 -20.704 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.768 -21.350 -0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.064 -21.169 -1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.118 -23.457 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.392 -22.829 -0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.970 -24.343 1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.840 -22.782 1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.606 -23.391 0.749 1.00 0.00 H new ATOM 1170 N GLY A 79 4.285 -17.600 -1.027 1.00 0.00 N ATOM 1171 CA GLY A 79 5.520 -16.846 -0.981 1.00 0.00 C ATOM 1172 C GLY A 79 5.388 -15.532 -1.738 1.00 0.00 C ATOM 1173 O GLY A 79 5.725 -14.474 -1.210 1.00 0.00 O ATOM 0 H GLY A 79 4.389 -18.508 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.789 -16.646 0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.327 -17.438 -1.412 1.00 0.00 H new ATOM 1177 N ARG A 80 4.928 -15.629 -2.979 1.00 0.00 N ATOM 1178 CA ARG A 80 4.880 -14.578 -3.985 1.00 0.00 C ATOM 1179 C ARG A 80 3.703 -13.633 -3.758 1.00 0.00 C ATOM 1180 O ARG A 80 3.825 -12.460 -4.087 1.00 0.00 O ATOM 1181 CB ARG A 80 4.767 -15.268 -5.353 1.00 0.00 C ATOM 1182 CG ARG A 80 6.002 -16.117 -5.695 1.00 0.00 C ATOM 1183 CD ARG A 80 5.694 -17.092 -6.841 1.00 0.00 C ATOM 1184 NE ARG A 80 6.889 -17.858 -7.225 1.00 0.00 N ATOM 1185 CZ ARG A 80 7.040 -18.626 -8.309 1.00 0.00 C ATOM 1186 NH1 ARG A 80 6.057 -18.817 -9.178 1.00 0.00 N ATOM 1187 NH2 ARG A 80 8.205 -19.229 -8.512 1.00 0.00 N ATOM 0 H ARG A 80 4.552 -16.508 -3.333 1.00 0.00 H new ATOM 0 HA ARG A 80 5.780 -13.966 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.881 -15.903 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.626 -14.512 -6.126 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.829 -15.466 -5.978 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.321 -16.674 -4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.903 -17.777 -6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.322 -16.538 -7.703 1.00 0.00 H new ATOM 0 HE ARG A 80 7.690 -17.797 -6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.151 -18.372 -9.030 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.206 -19.409 -9.995 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.967 -19.103 -7.846 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.338 -19.819 -9.334 1.00 0.00 H new ATOM 1201 N GLU A 81 2.627 -14.103 -3.122 1.00 0.00 N ATOM 1202 CA GLU A 81 1.378 -13.407 -2.797 1.00 0.00 C ATOM 1203 C GLU A 81 1.591 -11.917 -2.470 1.00 0.00 C ATOM 1204 O GLU A 81 1.046 -11.066 -3.181 1.00 0.00 O ATOM 1205 CB GLU A 81 0.645 -14.201 -1.680 1.00 0.00 C ATOM 1206 CG GLU A 81 -0.785 -14.638 -1.990 1.00 0.00 C ATOM 1207 CD GLU A 81 -1.197 -15.891 -1.178 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -1.136 -15.850 0.071 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -1.637 -16.917 -1.748 1.00 0.00 O ATOM 0 H GLU A 81 2.605 -15.068 -2.791 1.00 0.00 H new ATOM 0 HA GLU A 81 0.735 -13.384 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.232 -15.090 -1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.628 -13.588 -0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.470 -13.820 -1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.877 -14.850 -3.055 1.00 0.00 H new ATOM 1216 N PRO A 82 2.418 -11.558 -1.469 1.00 0.00 N ATOM 1217 CA PRO A 82 2.632 -10.165 -1.128 1.00 0.00 C ATOM 1218 C PRO A 82 3.428 -9.422 -2.208 1.00 0.00 C ATOM 1219 O PRO A 82 3.090 -8.289 -2.517 1.00 0.00 O ATOM 1220 CB PRO A 82 3.335 -10.171 0.234 1.00 0.00 C ATOM 1221 CG PRO A 82 4.039 -11.523 0.285 1.00 0.00 C ATOM 1222 CD PRO A 82 3.136 -12.429 -0.552 1.00 0.00 C ATOM 0 HA PRO A 82 1.690 -9.620 -1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.045 -9.349 0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.622 -10.062 1.051 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.046 -11.467 -0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.135 -11.887 1.308 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.724 -13.167 -1.097 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.443 -12.980 0.083 1.00 0.00 H new ATOM 1230 N PHE A 83 4.459 -10.019 -2.816 1.00 0.00 N ATOM 1231 CA PHE A 83 5.274 -9.359 -3.842 1.00 0.00 C ATOM 1232 C PHE A 83 4.448 -9.014 -5.070 1.00 0.00 C ATOM 1233 O PHE A 83 4.669 -7.969 -5.677 1.00 0.00 O ATOM 1234 CB PHE A 83 6.468 -10.218 -4.274 1.00 0.00 C ATOM 1235 CG PHE A 83 7.424 -10.539 -3.146 1.00 0.00 C ATOM 1236 CD1 PHE A 83 7.114 -11.540 -2.205 1.00 0.00 C ATOM 1237 CD2 PHE A 83 8.617 -9.807 -3.017 1.00 0.00 C ATOM 1238 CE1 PHE A 83 7.973 -11.782 -1.120 1.00 0.00 C ATOM 1239 CE2 PHE A 83 9.487 -10.075 -1.951 1.00 0.00 C ATOM 1240 CZ PHE A 83 9.165 -11.050 -0.992 1.00 0.00 C ATOM 0 H PHE A 83 4.752 -10.974 -2.610 1.00 0.00 H new ATOM 0 HA PHE A 83 5.649 -8.443 -3.385 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.098 -11.150 -4.702 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.012 -9.699 -5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.212 -12.124 -2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.863 -9.040 -3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.717 -12.530 -0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.414 -9.527 -1.866 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.830 -11.236 -0.161 1.00 0.00 H new ATOM 1250 N VAL A 84 3.491 -9.863 -5.425 1.00 0.00 N ATOM 1251 CA VAL A 84 2.567 -9.572 -6.499 1.00 0.00 C ATOM 1252 C VAL A 84 1.668 -8.397 -6.080 1.00 0.00 C ATOM 1253 O VAL A 84 1.546 -7.459 -6.866 1.00 0.00 O ATOM 1254 CB VAL A 84 1.854 -10.871 -6.908 1.00 0.00 C ATOM 1255 CG1 VAL A 84 0.808 -10.648 -8.008 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.844 -11.942 -7.384 1.00 0.00 C ATOM 0 H VAL A 84 3.339 -10.766 -4.975 1.00 0.00 H new ATOM 0 HA VAL A 84 3.064 -9.230 -7.407 1.00 0.00 H new ATOM 0 HB VAL A 84 1.348 -11.217 -6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.335 -11.598 -8.258 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.051 -9.948 -7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.293 -10.240 -8.894 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.298 -12.843 -7.663 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.396 -11.570 -8.247 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.542 -12.175 -6.580 1.00 0.00 H new ATOM 1266 N ARG A 85 1.141 -8.331 -4.837 1.00 0.00 N ATOM 1267 CA ARG A 85 0.395 -7.160 -4.389 1.00 0.00 C ATOM 1268 C ARG A 85 1.269 -5.900 -4.535 1.00 0.00 C ATOM 1269 O ARG A 85 0.794 -4.881 -5.025 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.071 -7.297 -2.934 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.187 -8.324 -2.718 1.00 0.00 C ATOM 1272 CD ARG A 85 -1.623 -8.301 -1.243 1.00 0.00 C ATOM 1273 NE ARG A 85 -3.054 -8.561 -1.010 1.00 0.00 N ATOM 1274 CZ ARG A 85 -4.080 -7.767 -1.358 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -3.943 -6.787 -2.240 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -5.270 -7.962 -0.813 1.00 0.00 N ATOM 0 H ARG A 85 1.223 -9.072 -4.141 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.493 -7.075 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.784 -7.573 -2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.417 -6.325 -2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.036 -8.097 -3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.838 -9.320 -2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.041 -9.043 -0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.373 -7.327 -0.822 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.290 -9.433 -0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.037 -6.617 -2.677 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.743 -6.203 -2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.403 -8.711 -0.134 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.054 -7.363 -1.072 1.00 0.00 H new ATOM 1290 N MET A 86 2.554 -5.949 -4.138 1.00 0.00 N ATOM 1291 CA MET A 86 3.500 -4.852 -4.252 1.00 0.00 C ATOM 1292 C MET A 86 3.672 -4.403 -5.693 1.00 0.00 C ATOM 1293 O MET A 86 3.598 -3.206 -5.949 1.00 0.00 O ATOM 1294 CB MET A 86 4.852 -5.268 -3.671 1.00 0.00 C ATOM 1295 CG MET A 86 4.783 -5.552 -2.171 1.00 0.00 C ATOM 1296 SD MET A 86 6.330 -5.323 -1.263 1.00 0.00 S ATOM 1297 CE MET A 86 7.001 -6.960 -1.536 1.00 0.00 C ATOM 0 H MET A 86 2.963 -6.784 -3.718 1.00 0.00 H new ATOM 0 HA MET A 86 3.101 -4.009 -3.687 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.208 -6.158 -4.190 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.581 -4.479 -3.855 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.025 -4.905 -1.731 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.447 -6.579 -2.028 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.850 -7.121 -0.871 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.234 -7.707 -1.332 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.329 -7.051 -2.572 1.00 0.00 H new ATOM 1307 N GLN A 87 3.919 -5.332 -6.619 1.00 0.00 N ATOM 1308 CA GLN A 87 4.067 -4.996 -8.024 1.00 0.00 C ATOM 1309 C GLN A 87 2.827 -4.241 -8.525 1.00 0.00 C ATOM 1310 O GLN A 87 2.967 -3.224 -9.204 1.00 0.00 O ATOM 1311 CB GLN A 87 4.344 -6.245 -8.867 1.00 0.00 C ATOM 1312 CG GLN A 87 4.693 -5.882 -10.322 1.00 0.00 C ATOM 1313 CD GLN A 87 6.040 -5.167 -10.459 1.00 0.00 C ATOM 1314 OE1 GLN A 87 6.233 -4.047 -9.997 1.00 0.00 O ATOM 1315 NE2 GLN A 87 7.005 -5.778 -11.113 1.00 0.00 N ATOM 0 H GLN A 87 4.020 -6.326 -6.413 1.00 0.00 H new ATOM 0 HA GLN A 87 4.930 -4.339 -8.132 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.166 -6.808 -8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.469 -6.895 -8.854 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.709 -6.791 -10.923 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.908 -5.245 -10.729 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.849 -6.709 -11.499 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.908 -5.320 -11.234 1.00 0.00 H new ATOM 1324 N LEU A 88 1.620 -4.722 -8.211 1.00 0.00 N ATOM 1325 CA LEU A 88 0.409 -4.064 -8.684 1.00 0.00 C ATOM 1326 C LEU A 88 0.140 -2.756 -7.935 1.00 0.00 C ATOM 1327 O LEU A 88 -0.393 -1.830 -8.544 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.810 -5.005 -8.648 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.912 -6.072 -9.764 1.00 0.00 C ATOM 1330 CD1 LEU A 88 -0.508 -5.563 -11.153 1.00 0.00 C ATOM 1331 CD2 LEU A 88 -0.111 -7.338 -9.466 1.00 0.00 C ATOM 0 H LEU A 88 1.461 -5.552 -7.640 1.00 0.00 H new ATOM 0 HA LEU A 88 0.579 -3.804 -9.729 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.811 -5.520 -7.687 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.711 -4.392 -8.683 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.975 -6.312 -9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.607 -6.370 -11.879 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.156 -4.735 -11.440 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.527 -5.222 -11.129 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.227 -8.044 -10.289 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.943 -7.083 -9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.477 -7.792 -8.545 1.00 0.00 H new ATOM 1343 N TRP A 89 0.527 -2.602 -6.664 1.00 0.00 N ATOM 1344 CA TRP A 89 0.439 -1.316 -5.977 1.00 0.00 C ATOM 1345 C TRP A 89 1.348 -0.321 -6.695 1.00 0.00 C ATOM 1346 O TRP A 89 0.926 0.780 -7.021 1.00 0.00 O ATOM 1347 CB TRP A 89 0.807 -1.491 -4.496 1.00 0.00 C ATOM 1348 CG TRP A 89 0.746 -0.248 -3.659 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.361 0.242 -3.062 1.00 0.00 C ATOM 1350 CD2 TRP A 89 1.822 0.667 -3.294 1.00 0.00 C ATOM 1351 NE1 TRP A 89 -0.049 1.393 -2.366 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.292 1.688 -2.449 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.198 0.727 -3.591 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 2.080 2.717 -1.916 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 4.008 1.748 -3.054 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.453 2.740 -2.221 1.00 0.00 C ATOM 0 H TRP A 89 0.905 -3.357 -6.092 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.579 -0.926 -6.004 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.139 -2.234 -4.060 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.817 -1.897 -4.437 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.345 -0.200 -3.120 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.729 1.955 -1.854 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.637 -0.018 -4.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.642 3.476 -1.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.063 1.770 -3.283 1.00 0.00 H new ATOM 0 HH2 TRP A 89 4.082 3.519 -1.816 1.00 0.00 H new ATOM 1367 N LEU A 90 2.569 -0.739 -7.033 1.00 0.00 N ATOM 1368 CA LEU A 90 3.538 0.044 -7.796 1.00 0.00 C ATOM 1369 C LEU A 90 3.097 0.352 -9.238 1.00 0.00 C ATOM 1370 O LEU A 90 3.798 1.073 -9.948 1.00 0.00 O ATOM 1371 CB LEU A 90 4.855 -0.735 -7.851 1.00 0.00 C ATOM 1372 CG LEU A 90 5.692 -0.674 -6.567 1.00 0.00 C ATOM 1373 CD1 LEU A 90 6.912 -1.573 -6.797 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.094 0.758 -6.189 1.00 0.00 C ATOM 0 H LEU A 90 2.920 -1.661 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 90 3.640 1.002 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.635 -1.779 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.454 -0.351 -8.677 1.00 0.00 H new ATOM 0 HG LEU A 90 5.105 -1.026 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.543 -1.564 -5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.581 -2.592 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.481 -1.203 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.684 0.740 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.686 1.194 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.198 1.358 -6.031 1.00 0.00 H new ATOM 1386 N ASN A 91 2.003 -0.248 -9.708 1.00 0.00 N ATOM 1387 CA ASN A 91 1.410 -0.026 -11.027 1.00 0.00 C ATOM 1388 C ASN A 91 0.301 1.033 -11.001 1.00 0.00 C ATOM 1389 O ASN A 91 -0.100 1.526 -12.061 1.00 0.00 O ATOM 1390 CB ASN A 91 0.828 -1.347 -11.555 1.00 0.00 C ATOM 1391 CG ASN A 91 0.380 -1.239 -13.004 1.00 0.00 C ATOM 1392 OD1 ASN A 91 1.195 -1.030 -13.889 1.00 0.00 O ATOM 1393 ND2 ASN A 91 -0.895 -1.399 -13.303 1.00 0.00 N ATOM 0 H ASN A 91 1.484 -0.931 -9.156 1.00 0.00 H new ATOM 0 HA ASN A 91 2.202 0.339 -11.681 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.577 -2.133 -11.466 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.019 -1.642 -10.936 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.201 -1.348 -14.275 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.574 -1.574 -12.563 1.00 0.00 H new ATOM 1400 N ASP A 92 -0.218 1.377 -9.820 1.00 0.00 N ATOM 1401 CA ASP A 92 -1.296 2.349 -9.636 1.00 0.00 C ATOM 1402 C ASP A 92 -0.660 3.726 -9.425 1.00 0.00 C ATOM 1403 O ASP A 92 0.292 3.822 -8.661 1.00 0.00 O ATOM 1404 CB ASP A 92 -2.148 1.965 -8.406 1.00 0.00 C ATOM 1405 CG ASP A 92 -3.596 1.592 -8.714 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -3.908 1.210 -9.861 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -4.425 1.575 -7.774 1.00 0.00 O ATOM 0 H ASP A 92 0.110 0.975 -8.942 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.946 2.364 -10.511 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.672 1.124 -7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.145 2.800 -7.706 1.00 0.00 H new ATOM 1412 N PRO A 93 -1.151 4.809 -10.046 1.00 0.00 N ATOM 1413 CA PRO A 93 -0.531 6.125 -9.925 1.00 0.00 C ATOM 1414 C PRO A 93 -0.920 6.810 -8.607 1.00 0.00 C ATOM 1415 O PRO A 93 -0.109 7.523 -8.008 1.00 0.00 O ATOM 1416 CB PRO A 93 -1.025 6.900 -11.147 1.00 0.00 C ATOM 1417 CG PRO A 93 -2.385 6.279 -11.457 1.00 0.00 C ATOM 1418 CD PRO A 93 -2.295 4.841 -10.936 1.00 0.00 C ATOM 0 HA PRO A 93 0.557 6.069 -9.899 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.112 7.966 -10.935 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.339 6.798 -11.988 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.190 6.827 -10.966 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.593 6.298 -12.527 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.207 4.559 -10.410 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.170 4.136 -11.757 1.00 0.00 H new ATOM 1426 N HIS A 94 -2.149 6.561 -8.142 1.00 0.00 N ATOM 1427 CA HIS A 94 -2.717 7.040 -6.886 1.00 0.00 C ATOM 1428 C HIS A 94 -2.257 6.204 -5.685 1.00 0.00 C ATOM 1429 O HIS A 94 -2.755 6.400 -4.578 1.00 0.00 O ATOM 1430 CB HIS A 94 -4.248 6.964 -6.973 1.00 0.00 C ATOM 1431 CG HIS A 94 -4.861 7.798 -8.064 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -5.126 9.145 -7.983 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.321 7.348 -9.271 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -5.759 9.494 -9.116 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -5.896 8.434 -9.933 1.00 0.00 N ATOM 0 H HIS A 94 -2.809 5.986 -8.666 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.375 8.064 -6.737 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -4.538 5.924 -7.124 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -4.668 7.277 -6.017 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.887 9.764 -7.208 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.252 6.337 -9.644 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -6.110 10.490 -9.340 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.370 5.229 -5.883 1.00 0.00 N ATOM 1444 CA ASN A 95 -0.979 4.249 -4.877 1.00 0.00 C ATOM 1445 C ASN A 95 -0.468 4.901 -3.593 1.00 0.00 C ATOM 1446 O ASN A 95 -0.912 4.522 -2.508 1.00 0.00 O ATOM 1447 CB ASN A 95 0.066 3.293 -5.472 1.00 0.00 C ATOM 1448 CG ASN A 95 1.408 3.946 -5.804 1.00 0.00 C ATOM 1449 OD1 ASN A 95 1.457 5.086 -6.256 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.515 3.281 -5.533 1.00 0.00 N ATOM 0 H ASN A 95 -0.892 5.098 -6.774 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.866 3.682 -4.595 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.237 2.479 -4.768 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.342 2.849 -6.380 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.424 3.714 -5.699 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.462 2.334 -5.158 1.00 0.00 H new ATOM 1457 N VAL A 96 0.428 5.884 -3.695 1.00 0.00 N ATOM 1458 CA VAL A 96 0.967 6.613 -2.570 1.00 0.00 C ATOM 1459 C VAL A 96 -0.134 7.453 -1.919 1.00 0.00 C ATOM 1460 O VAL A 96 -0.211 7.504 -0.694 1.00 0.00 O ATOM 1461 CB VAL A 96 2.151 7.462 -3.074 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.799 8.199 -1.914 1.00 0.00 C ATOM 1463 CG2 VAL A 96 3.249 6.591 -3.693 1.00 0.00 C ATOM 0 H VAL A 96 0.802 6.195 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 96 1.335 5.937 -1.798 1.00 0.00 H new ATOM 0 HB VAL A 96 1.745 8.148 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.634 8.795 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.065 8.854 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.163 7.478 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.066 7.225 -4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.622 5.891 -2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.841 6.036 -4.538 1.00 0.00 H new ATOM 1473 N GLU A 97 -0.981 8.099 -2.723 1.00 0.00 N ATOM 1474 CA GLU A 97 -2.051 8.979 -2.254 1.00 0.00 C ATOM 1475 C GLU A 97 -3.027 8.192 -1.377 1.00 0.00 C ATOM 1476 O GLU A 97 -3.241 8.530 -0.212 1.00 0.00 O ATOM 1477 CB GLU A 97 -2.794 9.630 -3.435 1.00 0.00 C ATOM 1478 CG GLU A 97 -1.854 10.364 -4.393 1.00 0.00 C ATOM 1479 CD GLU A 97 -2.598 11.228 -5.420 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -3.286 10.682 -6.317 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -2.436 12.472 -5.362 1.00 0.00 O ATOM 0 H GLU A 97 -0.941 8.023 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.603 9.777 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.338 8.862 -3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.534 10.332 -3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.178 10.996 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.238 9.634 -4.919 1.00 0.00 H new ATOM 1488 N LYS A 98 -3.590 7.118 -1.929 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.557 6.264 -1.252 1.00 0.00 C ATOM 1490 C LYS A 98 -3.937 5.599 -0.024 1.00 0.00 C ATOM 1491 O LYS A 98 -4.608 5.468 0.997 1.00 0.00 O ATOM 1492 CB LYS A 98 -5.139 5.267 -2.261 1.00 0.00 C ATOM 1493 CG LYS A 98 -6.062 6.046 -3.217 1.00 0.00 C ATOM 1494 CD LYS A 98 -7.130 5.208 -3.913 1.00 0.00 C ATOM 1495 CE LYS A 98 -6.565 4.305 -5.012 1.00 0.00 C ATOM 1496 NZ LYS A 98 -7.621 3.503 -5.665 1.00 0.00 N ATOM 0 H LYS A 98 -3.380 6.813 -2.880 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.384 6.862 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.340 4.777 -2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.696 4.484 -1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.554 6.840 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.448 6.528 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.640 4.592 -3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.879 5.872 -4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.059 4.916 -5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.815 3.639 -4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.197 2.905 -6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.087 2.901 -4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.323 4.138 -6.095 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.648 5.245 -0.081 1.00 0.00 N ATOM 1511 CA LEU A 99 -1.927 4.750 1.086 1.00 0.00 C ATOM 1512 C LEU A 99 -1.875 5.816 2.187 1.00 0.00 C ATOM 1513 O LEU A 99 -2.177 5.518 3.340 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.523 4.273 0.677 1.00 0.00 C ATOM 1515 CG LEU A 99 0.324 3.789 1.867 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.282 2.568 2.534 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.713 3.359 1.405 1.00 0.00 C ATOM 0 H LEU A 99 -2.085 5.294 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.462 3.894 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.618 3.463 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.001 5.088 0.176 1.00 0.00 H new ATOM 0 HG LEU A 99 0.367 4.629 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.347 2.259 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.279 2.811 2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.350 1.755 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.293 3.021 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.621 2.545 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.218 4.203 0.935 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.499 7.059 1.864 1.00 0.00 N ATOM 1530 CA ARG A 100 -1.477 8.173 2.804 1.00 0.00 C ATOM 1531 C ARG A 100 -2.851 8.362 3.452 1.00 0.00 C ATOM 1532 O ARG A 100 -2.920 8.586 4.662 1.00 0.00 O ATOM 1533 CB ARG A 100 -1.060 9.453 2.049 1.00 0.00 C ATOM 1534 CG ARG A 100 0.137 10.191 2.644 1.00 0.00 C ATOM 1535 CD ARG A 100 0.304 11.531 1.906 1.00 0.00 C ATOM 1536 NE ARG A 100 1.394 12.376 2.434 1.00 0.00 N ATOM 1537 CZ ARG A 100 2.050 13.317 1.731 1.00 0.00 C ATOM 1538 NH1 ARG A 100 1.803 13.497 0.443 1.00 0.00 N ATOM 1539 NH2 ARG A 100 2.958 14.084 2.325 1.00 0.00 N ATOM 0 H ARG A 100 -1.197 7.318 0.925 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.760 7.962 3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -0.829 9.189 1.017 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.911 10.134 2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.016 10.362 3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.040 9.589 2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.491 11.332 0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.633 12.085 1.965 1.00 0.00 H new ATOM 0 HE ARG A 100 1.671 12.236 3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.108 12.919 -0.029 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.308 14.214 -0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.160 13.960 3.317 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.453 14.796 1.789 1.00 0.00 H new ATOM 1553 N ASP A 101 -3.926 8.264 2.662 1.00 0.00 N ATOM 1554 CA ASP A 101 -5.308 8.555 3.064 1.00 0.00 C ATOM 1555 C ASP A 101 -5.726 7.733 4.281 1.00 0.00 C ATOM 1556 O ASP A 101 -6.421 8.239 5.157 1.00 0.00 O ATOM 1557 CB ASP A 101 -6.266 8.326 1.884 1.00 0.00 C ATOM 1558 CG ASP A 101 -7.638 9.002 2.038 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -8.054 9.378 3.155 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -8.346 9.140 1.012 1.00 0.00 O ATOM 0 H ASP A 101 -3.855 7.969 1.688 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.360 9.604 3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.794 8.693 0.973 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.415 7.254 1.756 1.00 0.00 H new ATOM 1565 N MET A 102 -5.214 6.506 4.409 1.00 0.00 N ATOM 1566 CA MET A 102 -5.392 5.659 5.588 1.00 0.00 C ATOM 1567 C MET A 102 -5.198 6.465 6.873 1.00 0.00 C ATOM 1568 O MET A 102 -6.083 6.504 7.734 1.00 0.00 O ATOM 1569 CB MET A 102 -4.406 4.494 5.542 1.00 0.00 C ATOM 1570 CG MET A 102 -4.672 3.563 4.358 1.00 0.00 C ATOM 1571 SD MET A 102 -6.178 2.579 4.551 1.00 0.00 S ATOM 1572 CE MET A 102 -6.252 1.893 2.886 1.00 0.00 C ATOM 0 H MET A 102 -4.653 6.066 3.680 1.00 0.00 H new ATOM 0 HA MET A 102 -6.410 5.268 5.583 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.390 4.882 5.477 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.472 3.927 6.471 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.748 4.157 3.447 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.821 2.893 4.232 1.00 0.00 H new ATOM 0 HE1 MET A 102 -7.227 2.105 2.448 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.472 2.344 2.272 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.101 0.814 2.930 1.00 0.00 H new ATOM 1582 N LYS A 103 -4.049 7.130 7.000 1.00 0.00 N ATOM 1583 CA LYS A 103 -3.676 7.937 8.140 1.00 0.00 C ATOM 1584 C LYS A 103 -4.259 9.347 8.031 1.00 0.00 C ATOM 1585 O LYS A 103 -4.852 9.822 9.001 1.00 0.00 O ATOM 1586 CB LYS A 103 -2.147 7.948 8.193 1.00 0.00 C ATOM 1587 CG LYS A 103 -1.611 6.645 8.799 1.00 0.00 C ATOM 1588 CD LYS A 103 -0.111 6.761 9.077 1.00 0.00 C ATOM 1589 CE LYS A 103 0.392 5.446 9.674 1.00 0.00 C ATOM 1590 NZ LYS A 103 1.734 5.565 10.274 1.00 0.00 N ATOM 0 H LYS A 103 -3.330 7.114 6.276 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.079 7.522 9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.745 8.079 7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.806 8.797 8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.142 6.422 9.724 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.797 5.816 8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.426 6.985 8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.081 7.584 9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.311 5.105 10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.414 4.684 8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.023 4.645 10.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.414 5.863 9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.712 6.271 11.037 1.00 0.00 H new ATOM 1604 N LYS A 104 -4.146 9.979 6.858 1.00 0.00 N ATOM 1605 CA LYS A 104 -4.457 11.378 6.560 1.00 0.00 C ATOM 1606 C LYS A 104 -3.993 12.356 7.650 1.00 0.00 C ATOM 1607 O LYS A 104 -3.040 12.052 8.369 1.00 0.00 O ATOM 1608 CB LYS A 104 -5.898 11.547 6.066 1.00 0.00 C ATOM 1609 CG LYS A 104 -6.994 11.653 7.140 1.00 0.00 C ATOM 1610 CD LYS A 104 -8.036 10.551 7.018 1.00 0.00 C ATOM 1611 CE LYS A 104 -7.569 9.282 7.723 1.00 0.00 C ATOM 1612 NZ LYS A 104 -8.561 8.206 7.601 1.00 0.00 N ATOM 0 H LYS A 104 -3.809 9.487 6.031 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.845 11.678 5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.942 12.443 5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -6.137 10.702 5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -6.536 11.608 8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -7.484 12.623 7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.979 10.886 7.450 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.226 10.339 5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.621 8.955 7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -7.388 9.495 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -8.077 7.285 7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.225 8.254 8.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.084 8.316 6.709 1.00 0.00 H new ATOM 1626 N LEU A 105 -4.637 13.530 7.729 1.00 0.00 N ATOM 1627 CA LEU A 105 -4.456 14.572 8.742 1.00 0.00 C ATOM 1628 C LEU A 105 -2.972 14.862 8.926 1.00 0.00 C ATOM 1629 O LEU A 105 -2.415 14.635 10.002 1.00 0.00 O ATOM 1630 CB LEU A 105 -5.167 14.171 10.056 1.00 0.00 C ATOM 1631 CG LEU A 105 -6.702 14.236 9.962 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -7.357 13.304 10.978 1.00 0.00 C ATOM 1633 CD2 LEU A 105 -7.219 15.665 10.173 1.00 0.00 C ATOM 0 H LEU A 105 -5.343 13.790 7.041 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.921 15.500 8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.869 13.158 10.328 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.831 14.828 10.858 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.971 13.912 8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.441 13.372 10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.040 12.278 10.788 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.058 13.595 11.985 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.307 15.673 10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.919 16.018 11.160 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.799 16.320 9.410 1.00 0.00 H new ATOM 1645 N SER A 106 -2.319 15.329 7.861 1.00 0.00 N ATOM 1646 CA SER A 106 -0.876 15.473 7.832 1.00 0.00 C ATOM 1647 C SER A 106 -0.498 16.639 6.923 1.00 0.00 C ATOM 1648 O SER A 106 -1.130 16.853 5.886 1.00 0.00 O ATOM 1649 CB SER A 106 -0.301 14.135 7.355 1.00 0.00 C ATOM 1650 OG SER A 106 1.098 14.036 7.547 1.00 0.00 O ATOM 0 H SER A 106 -2.782 15.616 6.998 1.00 0.00 H new ATOM 0 HA SER A 106 -0.464 15.704 8.814 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.794 13.323 7.889 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.527 14.005 6.297 1.00 0.00 H new ATOM 0 HG SER A 106 1.411 13.164 7.228 1.00 0.00 H new ATOM 1656 N GLY A 107 0.542 17.384 7.302 1.00 0.00 N ATOM 1657 CA GLY A 107 0.961 18.628 6.662 1.00 0.00 C ATOM 1658 C GLY A 107 0.016 19.792 7.002 1.00 0.00 C ATOM 1659 O GLY A 107 -1.132 19.560 7.401 1.00 0.00 O ATOM 0 H GLY A 107 1.135 17.127 8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.973 18.877 6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.991 18.488 5.581 1.00 0.00 H new ATOM 1663 N PRO A 108 0.464 21.053 6.850 1.00 0.00 N ATOM 1664 CA PRO A 108 -0.355 22.224 7.152 1.00 0.00 C ATOM 1665 C PRO A 108 -1.471 22.398 6.115 1.00 0.00 C ATOM 1666 O PRO A 108 -2.623 22.678 6.465 1.00 0.00 O ATOM 1667 CB PRO A 108 0.620 23.408 7.174 1.00 0.00 C ATOM 1668 CG PRO A 108 1.763 22.965 6.258 1.00 0.00 C ATOM 1669 CD PRO A 108 1.808 21.448 6.447 1.00 0.00 C ATOM 0 HA PRO A 108 -0.871 22.132 8.108 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.148 24.320 6.810 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.975 23.614 8.184 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.572 23.234 5.219 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.707 23.432 6.540 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.101 20.948 5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.540 21.171 7.206 1.00 0.00 H new ATOM 1677 N SER A 109 -1.160 22.204 4.835 1.00 0.00 N ATOM 1678 CA SER A 109 -2.137 22.047 3.775 1.00 0.00 C ATOM 1679 C SER A 109 -1.524 21.200 2.670 1.00 0.00 C ATOM 1680 O SER A 109 -0.302 21.168 2.515 1.00 0.00 O ATOM 1681 CB SER A 109 -2.635 23.411 3.269 1.00 0.00 C ATOM 1682 OG SER A 109 -1.593 24.354 3.117 1.00 0.00 O ATOM 0 H SER A 109 -0.196 22.151 4.505 1.00 0.00 H new ATOM 0 HA SER A 109 -3.020 21.533 4.155 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.139 23.276 2.312 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.375 23.804 3.966 1.00 0.00 H new ATOM 0 HG SER A 109 -1.963 25.201 2.792 1.00 0.00 H new ATOM 1688 N SER A 110 -2.392 20.530 1.913 1.00 0.00 N ATOM 1689 CA SER A 110 -2.050 19.523 0.924 1.00 0.00 C ATOM 1690 C SER A 110 -1.094 18.459 1.502 1.00 0.00 C ATOM 1691 O SER A 110 -1.104 18.189 2.710 1.00 0.00 O ATOM 1692 CB SER A 110 -1.555 20.214 -0.360 1.00 0.00 C ATOM 1693 OG SER A 110 -1.747 19.370 -1.483 1.00 0.00 O ATOM 0 H SER A 110 -3.398 20.686 1.980 1.00 0.00 H new ATOM 0 HA SER A 110 -2.937 18.954 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.092 21.151 -0.506 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.499 20.464 -0.262 1.00 0.00 H new ATOM 0 HG SER A 110 -1.429 19.824 -2.291 1.00 0.00 H new ATOM 1699 N GLY A 111 -0.332 17.818 0.620 1.00 0.00 N ATOM 1700 CA GLY A 111 0.816 16.967 0.854 1.00 0.00 C ATOM 1701 C GLY A 111 1.568 16.942 -0.461 1.00 0.00 C ATOM 1702 O GLY A 111 1.661 18.011 -1.096 1.00 0.00 O ATOM 0 H GLY A 111 -0.530 17.894 -0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 111 1.440 17.360 1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 111 0.509 15.964 1.151 1.00 0.00 H new TER 1706 GLY A 111