USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 572 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 10 SER OG : rot 2:sc= -4.26! USER MOD Set 1.2: A 14 THR OG1 : rot -97:sc= -2.62! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 144:sc= -2.42! USER MOD Single : A 12 CYS SG : rot -142:sc= -5.95! USER MOD Single : A 13 LYS NZ :NH3+ -158:sc= -0.289 (180deg=-1.24!) USER MOD Single : A 15 TYR OH : rot 101:sc= -7.44! USER MOD Single : A 16 CYS SG : rot 160:sc= -1.09 USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -0.157 (180deg=-0.706) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -143:sc= -0.975 (180deg=-3.4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.724 X(o=-0.72,f=-0.27) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.115) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -85:sc= 1.25 USER MOD Single : A 43 SER OG : rot 150:sc= -1.55 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 148:sc= -11.4! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.62 K(o=-1.6,f=-3.3) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 102:sc= 0.14 USER MOD Single : A 82 LYS NZ :NH3+ -154:sc= -0.566 (180deg=-2.65!) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 2 9.975 -5.592 12.460 1.00 0.00 N ATOM 9 CA GLU A 2 8.947 -4.650 12.870 1.00 0.00 C ATOM 10 C GLU A 2 8.630 -3.681 11.729 1.00 0.00 C ATOM 11 O GLU A 2 7.677 -2.908 11.814 1.00 0.00 O ATOM 12 CB GLU A 2 9.369 -3.893 14.130 1.00 0.00 C ATOM 13 CG GLU A 2 8.433 -4.209 15.299 1.00 0.00 C ATOM 14 CD GLU A 2 8.639 -5.643 15.793 1.00 0.00 C ATOM 15 OE1 GLU A 2 9.769 -6.025 16.132 1.00 0.00 O ATOM 16 OE2 GLU A 2 7.573 -6.369 15.820 1.00 0.00 O ATOM 0 HA GLU A 2 8.042 -5.210 13.108 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.391 -4.162 14.395 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.362 -2.821 13.934 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.615 -3.510 16.115 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.397 -4.073 14.988 1.00 0.00 H new ATOM 24 N ALA A 3 9.445 -3.756 10.687 1.00 0.00 N ATOM 25 CA ALA A 3 9.263 -2.895 9.531 1.00 0.00 C ATOM 26 C ALA A 3 8.268 -3.546 8.568 1.00 0.00 C ATOM 27 O ALA A 3 7.429 -2.864 7.982 1.00 0.00 O ATOM 28 CB ALA A 3 10.619 -2.627 8.875 1.00 0.00 C ATOM 0 H ALA A 3 10.233 -4.400 10.619 1.00 0.00 H new ATOM 0 HA ALA A 3 8.850 -1.932 9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.482 -1.981 8.008 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.279 -2.138 9.591 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.063 -3.571 8.558 1.00 0.00 H new ATOM 34 N VAL A 4 8.396 -4.858 8.434 1.00 0.00 N ATOM 35 CA VAL A 4 7.518 -5.608 7.552 1.00 0.00 C ATOM 36 C VAL A 4 6.078 -5.128 7.742 1.00 0.00 C ATOM 37 O VAL A 4 5.276 -5.174 6.811 1.00 0.00 O ATOM 38 CB VAL A 4 7.686 -7.109 7.800 1.00 0.00 C ATOM 39 CG1 VAL A 4 6.477 -7.680 8.544 1.00 0.00 C ATOM 40 CG2 VAL A 4 7.926 -7.858 6.488 1.00 0.00 C ATOM 0 H VAL A 4 9.094 -5.420 8.921 1.00 0.00 H new ATOM 0 HA VAL A 4 7.783 -5.432 6.510 1.00 0.00 H new ATOM 0 HB VAL A 4 8.564 -7.248 8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.622 -8.748 8.708 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.370 -7.177 9.505 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.577 -7.523 7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.042 -8.922 6.693 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.076 -7.707 5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.831 -7.479 6.013 1.00 0.00 H new ATOM 50 N ILE A 5 5.794 -4.678 8.956 1.00 0.00 N ATOM 51 CA ILE A 5 4.465 -4.189 9.280 1.00 0.00 C ATOM 52 C ILE A 5 4.411 -2.678 9.049 1.00 0.00 C ATOM 53 O ILE A 5 3.712 -2.208 8.152 1.00 0.00 O ATOM 54 CB ILE A 5 4.071 -4.609 10.698 1.00 0.00 C ATOM 55 CG1 ILE A 5 4.899 -5.808 11.165 1.00 0.00 C ATOM 56 CG2 ILE A 5 2.568 -4.878 10.793 1.00 0.00 C ATOM 57 CD1 ILE A 5 6.388 -5.585 10.893 1.00 0.00 C ATOM 0 H ILE A 5 6.462 -4.642 9.726 1.00 0.00 H new ATOM 0 HA ILE A 5 3.723 -4.639 8.621 1.00 0.00 H new ATOM 0 HB ILE A 5 4.293 -3.782 11.373 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.741 -5.971 12.231 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.563 -6.709 10.652 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.315 -5.175 11.811 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.019 -3.973 10.532 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.297 -5.678 10.104 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.954 -6.452 11.234 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.546 -5.447 9.823 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.727 -4.697 11.427 1.00 0.00 H new ATOM 69 N LYS A 6 5.157 -1.958 9.874 1.00 0.00 N ATOM 70 CA LYS A 6 5.203 -0.510 9.770 1.00 0.00 C ATOM 71 C LYS A 6 5.461 -0.115 8.315 1.00 0.00 C ATOM 72 O LYS A 6 5.157 1.006 7.909 1.00 0.00 O ATOM 73 CB LYS A 6 6.224 0.066 10.754 1.00 0.00 C ATOM 74 CG LYS A 6 6.227 1.595 10.709 1.00 0.00 C ATOM 75 CD LYS A 6 7.341 2.167 11.588 1.00 0.00 C ATOM 76 CE LYS A 6 7.366 3.695 11.516 1.00 0.00 C ATOM 77 NZ LYS A 6 8.334 4.244 12.491 1.00 0.00 N ATOM 0 H LYS A 6 5.734 -2.351 10.617 1.00 0.00 H new ATOM 0 HA LYS A 6 4.243 -0.077 10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.991 -0.271 11.764 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.218 -0.310 10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.361 1.932 9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.262 1.974 11.046 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.193 1.850 12.620 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.303 1.768 11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.635 4.013 10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.371 4.091 11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.338 5.282 12.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.060 3.956 13.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.285 3.881 12.278 1.00 0.00 H new ATOM 90 N VAL A 7 6.020 -1.057 7.570 1.00 0.00 N ATOM 91 CA VAL A 7 6.323 -0.821 6.168 1.00 0.00 C ATOM 92 C VAL A 7 5.016 -0.681 5.385 1.00 0.00 C ATOM 93 O VAL A 7 4.669 0.412 4.940 1.00 0.00 O ATOM 94 CB VAL A 7 7.224 -1.936 5.633 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.520 -3.293 5.706 1.00 0.00 C ATOM 96 CG2 VAL A 7 7.683 -1.632 4.205 1.00 0.00 C ATOM 0 H VAL A 7 6.271 -1.985 7.910 1.00 0.00 H new ATOM 0 HA VAL A 7 6.875 0.111 6.048 1.00 0.00 H new ATOM 0 HB VAL A 7 8.110 -1.984 6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.182 -4.068 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.266 -3.516 6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.609 -3.263 5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.322 -2.440 3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.813 -1.543 3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.241 -0.696 4.194 1.00 0.00 H new ATOM 106 N ILE A 8 4.327 -1.803 5.241 1.00 0.00 N ATOM 107 CA ILE A 8 3.065 -1.819 4.520 1.00 0.00 C ATOM 108 C ILE A 8 2.204 -0.642 4.980 1.00 0.00 C ATOM 109 O ILE A 8 1.664 0.096 4.158 1.00 0.00 O ATOM 110 CB ILE A 8 2.380 -3.179 4.670 1.00 0.00 C ATOM 111 CG1 ILE A 8 1.213 -3.316 3.689 1.00 0.00 C ATOM 112 CG2 ILE A 8 1.943 -3.416 6.117 1.00 0.00 C ATOM 113 CD1 ILE A 8 1.646 -2.947 2.268 1.00 0.00 C ATOM 0 H ILE A 8 4.618 -2.708 5.611 1.00 0.00 H new ATOM 0 HA ILE A 8 3.235 -1.690 3.451 1.00 0.00 H new ATOM 0 HB ILE A 8 3.103 -3.955 4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.838 -4.339 3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.392 -2.671 4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.459 -4.389 6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.816 -3.391 6.769 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.242 -2.637 6.418 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.799 -3.053 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.998 -1.915 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.450 -3.610 1.949 1.00 0.00 H new ATOM 125 N SER A 9 2.102 -0.503 6.294 1.00 0.00 N ATOM 126 CA SER A 9 1.316 0.572 6.874 1.00 0.00 C ATOM 127 C SER A 9 1.880 1.927 6.440 1.00 0.00 C ATOM 128 O SER A 9 1.193 2.707 5.782 1.00 0.00 O ATOM 129 CB SER A 9 1.289 0.474 8.401 1.00 0.00 C ATOM 130 OG SER A 9 2.598 0.519 8.962 1.00 0.00 O ATOM 0 H SER A 9 2.551 -1.117 6.973 1.00 0.00 H new ATOM 0 HA SER A 9 0.292 0.479 6.512 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.693 1.291 8.806 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.800 -0.454 8.696 1.00 0.00 H new ATOM 0 HG SER A 9 2.574 1.010 9.810 1.00 0.00 H new ATOM 136 N SER A 10 3.125 2.164 6.825 1.00 0.00 N ATOM 137 CA SER A 10 3.790 3.410 6.483 1.00 0.00 C ATOM 138 C SER A 10 4.050 3.469 4.977 1.00 0.00 C ATOM 139 O SER A 10 3.681 4.439 4.317 1.00 0.00 O ATOM 140 CB SER A 10 5.102 3.565 7.255 1.00 0.00 C ATOM 141 OG SER A 10 5.202 4.837 7.888 1.00 0.00 O ATOM 0 H SER A 10 3.691 1.514 7.371 1.00 0.00 H new ATOM 0 HA SER A 10 3.135 4.235 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.175 2.779 8.007 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.942 3.433 6.573 1.00 0.00 H new ATOM 0 HG SER A 10 4.384 5.350 7.722 1.00 0.00 H new ATOM 147 N ALA A 11 4.683 2.418 4.476 1.00 0.00 N ATOM 148 CA ALA A 11 4.997 2.338 3.060 1.00 0.00 C ATOM 149 C ALA A 11 3.735 2.628 2.245 1.00 0.00 C ATOM 150 O ALA A 11 3.818 2.988 1.072 1.00 0.00 O ATOM 151 CB ALA A 11 5.591 0.963 2.746 1.00 0.00 C ATOM 0 H ALA A 11 4.987 1.615 5.026 1.00 0.00 H new ATOM 0 HA ALA A 11 5.743 3.085 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.827 0.903 1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.501 0.818 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.869 0.188 3.002 1.00 0.00 H new ATOM 157 N CYS A 12 2.595 2.460 2.899 1.00 0.00 N ATOM 158 CA CYS A 12 1.317 2.699 2.250 1.00 0.00 C ATOM 159 C CYS A 12 1.134 4.210 2.093 1.00 0.00 C ATOM 160 O CYS A 12 1.069 4.717 0.974 1.00 0.00 O ATOM 161 CB CYS A 12 0.162 2.062 3.024 1.00 0.00 C ATOM 162 SG CYS A 12 -1.407 2.913 2.620 1.00 0.00 S ATOM 0 H CYS A 12 2.530 2.161 3.872 1.00 0.00 H new ATOM 0 HA CYS A 12 1.312 2.229 1.267 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.086 1.004 2.774 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.353 2.124 4.095 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.135 3.014 3.693 1.00 0.00 H new ATOM 168 N LYS A 13 1.056 4.886 3.229 1.00 0.00 N ATOM 169 CA LYS A 13 0.882 6.329 3.232 1.00 0.00 C ATOM 170 C LYS A 13 2.244 7.002 3.405 1.00 0.00 C ATOM 171 O LYS A 13 2.534 8.003 2.751 1.00 0.00 O ATOM 172 CB LYS A 13 -0.148 6.742 4.285 1.00 0.00 C ATOM 173 CG LYS A 13 -1.032 7.879 3.770 1.00 0.00 C ATOM 174 CD LYS A 13 -0.978 9.085 4.711 1.00 0.00 C ATOM 175 CE LYS A 13 0.395 9.758 4.661 1.00 0.00 C ATOM 176 NZ LYS A 13 1.259 9.255 5.752 1.00 0.00 N ATOM 0 H LYS A 13 1.110 4.461 4.155 1.00 0.00 H new ATOM 0 HA LYS A 13 0.479 6.667 2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.768 5.885 4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.363 7.057 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.705 8.176 2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.061 7.531 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.749 9.803 4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.193 8.765 5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.866 9.565 3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.280 10.838 4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.011 9.946 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.688 9.114 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.686 8.350 5.468 1.00 0.00 H new ATOM 189 N THR A 14 3.045 6.427 4.291 1.00 0.00 N ATOM 190 CA THR A 14 4.370 6.960 4.559 1.00 0.00 C ATOM 191 C THR A 14 5.250 6.851 3.313 1.00 0.00 C ATOM 192 O THR A 14 6.153 7.662 3.114 1.00 0.00 O ATOM 193 CB THR A 14 4.940 6.221 5.772 1.00 0.00 C ATOM 194 OG1 THR A 14 3.850 6.167 6.689 1.00 0.00 O ATOM 195 CG2 THR A 14 6.005 7.037 6.507 1.00 0.00 C ATOM 0 H THR A 14 2.802 5.597 4.832 1.00 0.00 H new ATOM 0 HA THR A 14 4.328 8.023 4.797 1.00 0.00 H new ATOM 0 HB THR A 14 5.368 5.271 5.451 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.931 6.898 7.337 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.376 6.467 7.359 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.830 7.254 5.828 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.569 7.972 6.858 1.00 0.00 H new ATOM 203 N TYR A 15 4.957 5.842 2.506 1.00 0.00 N ATOM 204 CA TYR A 15 5.711 5.617 1.284 1.00 0.00 C ATOM 205 C TYR A 15 5.602 6.818 0.344 1.00 0.00 C ATOM 206 O TYR A 15 6.571 7.551 0.152 1.00 0.00 O ATOM 207 CB TYR A 15 5.072 4.399 0.613 1.00 0.00 C ATOM 208 CG TYR A 15 6.013 3.642 -0.326 1.00 0.00 C ATOM 209 CD1 TYR A 15 7.033 4.313 -0.970 1.00 0.00 C ATOM 210 CD2 TYR A 15 5.842 2.288 -0.530 1.00 0.00 C ATOM 211 CE1 TYR A 15 7.918 3.600 -1.854 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.727 1.575 -1.414 1.00 0.00 C ATOM 213 CZ TYR A 15 7.722 2.266 -2.033 1.00 0.00 C ATOM 214 OH TYR A 15 8.558 1.593 -2.868 1.00 0.00 O ATOM 0 H TYR A 15 4.208 5.171 2.674 1.00 0.00 H new ATOM 0 HA TYR A 15 6.767 5.466 1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.718 3.716 1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.197 4.724 0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.167 5.373 -0.811 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.044 1.763 -0.026 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.720 4.113 -2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.604 0.515 -1.582 1.00 0.00 H new ATOM 0 HH TYR A 15 9.226 1.107 -2.340 1.00 0.00 H new ATOM 224 N CYS A 16 4.414 6.984 -0.218 1.00 0.00 N ATOM 225 CA CYS A 16 4.166 8.084 -1.134 1.00 0.00 C ATOM 226 C CYS A 16 3.516 9.226 -0.350 1.00 0.00 C ATOM 227 O CYS A 16 3.932 10.378 -0.464 1.00 0.00 O ATOM 228 CB CYS A 16 3.307 7.648 -2.323 1.00 0.00 C ATOM 229 SG CYS A 16 2.153 8.990 -2.788 1.00 0.00 S ATOM 0 H CYS A 16 3.612 6.375 -0.057 1.00 0.00 H new ATOM 0 HA CYS A 16 5.110 8.426 -1.558 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.945 7.396 -3.170 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.747 6.748 -2.067 1.00 0.00 H new ATOM 0 HG CYS A 16 1.744 8.807 -4.008 1.00 0.00 H new ATOM 235 N GLY A 17 2.507 8.866 0.430 1.00 0.00 N ATOM 236 CA GLY A 17 1.796 9.846 1.234 1.00 0.00 C ATOM 237 C GLY A 17 2.730 10.501 2.253 1.00 0.00 C ATOM 238 O GLY A 17 2.402 11.540 2.824 1.00 0.00 O ATOM 0 H GLY A 17 2.165 7.909 0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.366 10.610 0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.967 9.364 1.752 1.00 0.00 H new ATOM 242 N LYS A 18 3.877 9.866 2.451 1.00 0.00 N ATOM 243 CA LYS A 18 4.861 10.375 3.391 1.00 0.00 C ATOM 244 C LYS A 18 4.141 10.991 4.592 1.00 0.00 C ATOM 245 O LYS A 18 3.636 10.272 5.453 1.00 0.00 O ATOM 246 CB LYS A 18 5.823 11.336 2.692 1.00 0.00 C ATOM 247 CG LYS A 18 6.992 10.578 2.059 1.00 0.00 C ATOM 248 CD LYS A 18 6.791 10.421 0.550 1.00 0.00 C ATOM 249 CE LYS A 18 8.098 10.021 -0.138 1.00 0.00 C ATOM 250 NZ LYS A 18 9.108 11.093 0.006 1.00 0.00 N ATOM 0 H LYS A 18 4.146 9.004 1.976 1.00 0.00 H new ATOM 0 HA LYS A 18 5.480 9.563 3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.289 11.896 1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.202 12.063 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.923 11.111 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.086 9.595 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.029 9.666 0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.426 11.358 0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.476 9.096 0.297 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.915 9.825 -1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.786 11.039 -0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.635 12.019 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.614 10.975 0.907 1.00 0.00 H new ATOM 334 N LYS A 24 -7.419 6.714 4.931 1.00 0.00 N ATOM 335 CA LYS A 24 -7.255 5.490 4.165 1.00 0.00 C ATOM 336 C LYS A 24 -5.789 5.054 4.216 1.00 0.00 C ATOM 337 O LYS A 24 -5.422 4.031 3.642 1.00 0.00 O ATOM 338 CB LYS A 24 -7.794 5.671 2.745 1.00 0.00 C ATOM 339 CG LYS A 24 -9.118 6.438 2.754 1.00 0.00 C ATOM 340 CD LYS A 24 -10.307 5.480 2.841 1.00 0.00 C ATOM 341 CE LYS A 24 -11.017 5.608 4.190 1.00 0.00 C ATOM 342 NZ LYS A 24 -11.285 4.271 4.764 1.00 0.00 N ATOM 0 HA LYS A 24 -7.843 4.684 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.063 6.208 2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.938 4.696 2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.138 7.126 3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.199 7.042 1.850 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.009 5.692 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.963 4.455 2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.402 6.189 4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.954 6.151 4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.767 4.377 5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.890 3.729 4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.386 3.766 4.902 1.00 0.00 H new ATOM 355 N GLU A 25 -4.991 5.853 4.910 1.00 0.00 N ATOM 356 CA GLU A 25 -3.574 5.563 5.043 1.00 0.00 C ATOM 357 C GLU A 25 -3.366 4.095 5.420 1.00 0.00 C ATOM 358 O GLU A 25 -3.285 3.231 4.548 1.00 0.00 O ATOM 359 CB GLU A 25 -2.918 6.490 6.068 1.00 0.00 C ATOM 360 CG GLU A 25 -3.902 6.862 7.180 1.00 0.00 C ATOM 361 CD GLU A 25 -3.174 7.068 8.509 1.00 0.00 C ATOM 362 OE1 GLU A 25 -2.088 6.506 8.715 1.00 0.00 O ATOM 363 OE2 GLU A 25 -3.776 7.844 9.346 1.00 0.00 O ATOM 0 H GLU A 25 -5.299 6.701 5.386 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.095 5.743 4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.044 6.001 6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.565 7.394 5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.436 7.773 6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.649 6.075 7.288 1.00 0.00 H new ATOM 371 N ILE A 26 -3.287 3.856 6.721 1.00 0.00 N ATOM 372 CA ILE A 26 -3.090 2.508 7.224 1.00 0.00 C ATOM 373 C ILE A 26 -4.128 1.577 6.595 1.00 0.00 C ATOM 374 O ILE A 26 -3.849 0.403 6.353 1.00 0.00 O ATOM 375 CB ILE A 26 -3.104 2.499 8.754 1.00 0.00 C ATOM 376 CG1 ILE A 26 -2.102 3.509 9.317 1.00 0.00 C ATOM 377 CG2 ILE A 26 -2.864 1.089 9.297 1.00 0.00 C ATOM 378 CD1 ILE A 26 -2.768 4.429 10.343 1.00 0.00 C ATOM 0 H ILE A 26 -3.356 4.574 7.442 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.108 2.134 6.935 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.095 2.807 9.088 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.270 2.980 9.783 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.686 4.105 8.505 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.879 1.111 10.387 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.647 0.422 8.937 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.894 0.727 8.955 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.034 5.137 10.727 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.584 4.974 9.868 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.162 3.832 11.166 1.00 0.00 H new ATOM 390 N GLY A 27 -5.304 2.135 6.347 1.00 0.00 N ATOM 391 CA GLY A 27 -6.385 1.369 5.750 1.00 0.00 C ATOM 392 C GLY A 27 -5.898 0.600 4.520 1.00 0.00 C ATOM 393 O GLY A 27 -5.959 -0.628 4.487 1.00 0.00 O ATOM 0 H GLY A 27 -5.532 3.109 6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.789 0.671 6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.197 2.039 5.467 1.00 0.00 H new ATOM 397 N ALA A 28 -5.426 1.355 3.538 1.00 0.00 N ATOM 398 CA ALA A 28 -4.929 0.759 2.310 1.00 0.00 C ATOM 399 C ALA A 28 -3.934 -0.352 2.652 1.00 0.00 C ATOM 400 O ALA A 28 -4.082 -1.484 2.195 1.00 0.00 O ATOM 401 CB ALA A 28 -4.308 1.847 1.430 1.00 0.00 C ATOM 0 H ALA A 28 -5.378 2.373 3.568 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.745 0.308 1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.935 1.400 0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.063 2.596 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.484 2.320 1.964 1.00 0.00 H new ATOM 407 N MET A 29 -2.944 0.011 3.454 1.00 0.00 N ATOM 408 CA MET A 29 -1.925 -0.941 3.863 1.00 0.00 C ATOM 409 C MET A 29 -2.532 -2.326 4.097 1.00 0.00 C ATOM 410 O MET A 29 -1.964 -3.335 3.680 1.00 0.00 O ATOM 411 CB MET A 29 -1.257 -0.453 5.150 1.00 0.00 C ATOM 412 CG MET A 29 -0.961 -1.622 6.092 1.00 0.00 C ATOM 413 SD MET A 29 -2.275 -1.790 7.288 1.00 0.00 S ATOM 414 CE MET A 29 -1.325 -2.228 8.733 1.00 0.00 C ATOM 0 H MET A 29 -2.826 0.951 3.832 1.00 0.00 H new ATOM 0 HA MET A 29 -1.185 -1.018 3.066 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.330 0.067 4.908 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.905 0.266 5.650 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.859 -2.544 5.520 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.012 -1.457 6.603 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.877 -2.959 9.324 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.371 -2.656 8.425 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.145 -1.337 9.334 1.00 0.00 H new ATOM 424 N LEU A 30 -3.678 -2.331 4.763 1.00 0.00 N ATOM 425 CA LEU A 30 -4.367 -3.575 5.057 1.00 0.00 C ATOM 426 C LEU A 30 -5.423 -3.835 3.981 1.00 0.00 C ATOM 427 O LEU A 30 -5.303 -4.780 3.203 1.00 0.00 O ATOM 428 CB LEU A 30 -4.931 -3.552 6.479 1.00 0.00 C ATOM 429 CG LEU A 30 -4.494 -4.699 7.393 1.00 0.00 C ATOM 430 CD1 LEU A 30 -3.002 -4.993 7.226 1.00 0.00 C ATOM 431 CD2 LEU A 30 -4.862 -4.409 8.850 1.00 0.00 C ATOM 0 H LEU A 30 -4.146 -1.493 5.107 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.670 -4.412 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.643 -2.611 6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.019 -3.558 6.417 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.035 -5.598 7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.716 -5.812 7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.800 -5.273 6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.425 -4.104 7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.541 -5.239 9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.366 -3.494 9.175 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.942 -4.286 8.935 1.00 0.00 H new ATOM 443 N SER A 31 -6.435 -2.979 3.970 1.00 0.00 N ATOM 444 CA SER A 31 -7.511 -3.104 3.003 1.00 0.00 C ATOM 445 C SER A 31 -6.936 -3.180 1.587 1.00 0.00 C ATOM 446 O SER A 31 -7.477 -3.878 0.730 1.00 0.00 O ATOM 447 CB SER A 31 -8.491 -1.934 3.115 1.00 0.00 C ATOM 448 OG SER A 31 -9.205 -1.952 4.348 1.00 0.00 O ATOM 0 H SER A 31 -6.532 -2.196 4.616 1.00 0.00 H new ATOM 0 HA SER A 31 -8.057 -4.023 3.217 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.946 -0.994 3.026 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.198 -1.972 2.286 1.00 0.00 H new ATOM 0 HG SER A 31 -9.819 -1.189 4.382 1.00 0.00 H new ATOM 454 N LEU A 32 -5.846 -2.454 1.385 1.00 0.00 N ATOM 455 CA LEU A 32 -5.192 -2.431 0.088 1.00 0.00 C ATOM 456 C LEU A 32 -4.573 -3.802 -0.190 1.00 0.00 C ATOM 457 O LEU A 32 -4.988 -4.498 -1.115 1.00 0.00 O ATOM 458 CB LEU A 32 -4.189 -1.277 0.015 1.00 0.00 C ATOM 459 CG LEU A 32 -4.017 -0.625 -1.359 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.603 -1.508 -2.462 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.613 0.784 -1.375 1.00 0.00 C ATOM 0 H LEU A 32 -5.399 -1.877 2.098 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.918 -2.243 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.497 -0.509 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.217 -1.645 0.345 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.950 -0.526 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.468 -1.021 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.093 -2.471 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.667 -1.661 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.478 1.225 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.677 0.732 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.110 1.400 -0.630 1.00 0.00 H new ATOM 473 N LEU A 33 -3.589 -4.149 0.627 1.00 0.00 N ATOM 474 CA LEU A 33 -2.909 -5.425 0.480 1.00 0.00 C ATOM 475 C LEU A 33 -3.845 -6.551 0.924 1.00 0.00 C ATOM 476 O LEU A 33 -3.956 -7.573 0.248 1.00 0.00 O ATOM 477 CB LEU A 33 -1.572 -5.408 1.223 1.00 0.00 C ATOM 478 CG LEU A 33 -0.496 -4.484 0.648 1.00 0.00 C ATOM 479 CD1 LEU A 33 0.333 -5.206 -0.417 1.00 0.00 C ATOM 480 CD2 LEU A 33 -1.113 -3.190 0.114 1.00 0.00 C ATOM 0 H LEU A 33 -3.246 -3.569 1.393 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.664 -5.608 -0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.757 -5.117 2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.177 -6.424 1.243 1.00 0.00 H new ATOM 0 HG LEU A 33 0.184 -4.208 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.091 -4.528 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.819 -6.075 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.319 -5.530 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.327 -2.551 -0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.828 -3.426 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.624 -2.669 0.924 1.00 0.00 H new ATOM 492 N GLN A 34 -4.494 -6.326 2.057 1.00 0.00 N ATOM 493 CA GLN A 34 -5.417 -7.309 2.598 1.00 0.00 C ATOM 494 C GLN A 34 -6.677 -7.388 1.734 1.00 0.00 C ATOM 495 O GLN A 34 -7.592 -8.153 2.032 1.00 0.00 O ATOM 496 CB GLN A 34 -5.769 -6.987 4.052 1.00 0.00 C ATOM 497 CG GLN A 34 -5.988 -8.269 4.860 1.00 0.00 C ATOM 498 CD GLN A 34 -6.264 -7.949 6.330 1.00 0.00 C ATOM 499 OE1 GLN A 34 -7.373 -7.633 6.726 1.00 0.00 O ATOM 500 NE2 GLN A 34 -5.195 -8.050 7.115 1.00 0.00 N ATOM 0 H GLN A 34 -4.399 -5.478 2.615 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.929 -8.284 2.583 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.968 -6.401 4.503 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.670 -6.374 4.085 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.825 -8.828 4.442 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.108 -8.907 4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.295 -8.320 6.718 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.276 -7.858 8.113 1.00 0.00 H new ATOM 509 N LYS A 35 -6.683 -6.586 0.679 1.00 0.00 N ATOM 510 CA LYS A 35 -7.815 -6.556 -0.232 1.00 0.00 C ATOM 511 C LYS A 35 -7.304 -6.462 -1.671 1.00 0.00 C ATOM 512 O LYS A 35 -8.002 -5.959 -2.549 1.00 0.00 O ATOM 513 CB LYS A 35 -8.781 -5.433 0.152 1.00 0.00 C ATOM 514 CG LYS A 35 -10.234 -5.902 0.054 1.00 0.00 C ATOM 515 CD LYS A 35 -11.201 -4.729 0.225 1.00 0.00 C ATOM 516 CE LYS A 35 -11.006 -4.051 1.582 1.00 0.00 C ATOM 517 NZ LYS A 35 -11.408 -4.960 2.679 1.00 0.00 N ATOM 0 H LYS A 35 -5.922 -5.952 0.435 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.389 -7.479 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.571 -5.099 1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.627 -4.576 -0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.402 -6.379 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.430 -6.654 0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.044 -4.004 -0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.228 -5.084 0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.962 -3.763 1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.596 -3.136 1.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.432 -4.433 3.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.352 -5.348 2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.723 -5.739 2.753 1.00 0.00 H new ATOM 530 N GLU A 36 -6.091 -6.956 -1.867 1.00 0.00 N ATOM 531 CA GLU A 36 -5.479 -6.935 -3.185 1.00 0.00 C ATOM 532 C GLU A 36 -4.723 -8.241 -3.441 1.00 0.00 C ATOM 533 O GLU A 36 -4.018 -8.368 -4.440 1.00 0.00 O ATOM 534 CB GLU A 36 -4.553 -5.726 -3.340 1.00 0.00 C ATOM 535 CG GLU A 36 -5.335 -4.491 -3.791 1.00 0.00 C ATOM 536 CD GLU A 36 -6.564 -4.889 -4.610 1.00 0.00 C ATOM 537 OE1 GLU A 36 -6.429 -5.553 -5.649 1.00 0.00 O ATOM 538 OE2 GLU A 36 -7.692 -4.484 -4.133 1.00 0.00 O ATOM 0 H GLU A 36 -5.515 -7.373 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.270 -6.844 -3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.056 -5.520 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.772 -5.952 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.645 -3.915 -2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.690 -3.845 -4.387 1.00 0.00 H new ATOM 546 N GLY A 37 -4.897 -9.177 -2.520 1.00 0.00 N ATOM 547 CA GLY A 37 -4.241 -10.469 -2.633 1.00 0.00 C ATOM 548 C GLY A 37 -2.937 -10.493 -1.833 1.00 0.00 C ATOM 549 O GLY A 37 -2.014 -11.235 -2.165 1.00 0.00 O ATOM 0 H GLY A 37 -5.483 -9.067 -1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.908 -11.252 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.033 -10.685 -3.681 1.00 0.00 H new ATOM 553 N LEU A 38 -2.902 -9.672 -0.793 1.00 0.00 N ATOM 554 CA LEU A 38 -1.727 -9.590 0.057 1.00 0.00 C ATOM 555 C LEU A 38 -2.127 -9.890 1.503 1.00 0.00 C ATOM 556 O LEU A 38 -1.786 -9.137 2.414 1.00 0.00 O ATOM 557 CB LEU A 38 -1.031 -8.239 -0.121 1.00 0.00 C ATOM 558 CG LEU A 38 -0.268 -8.045 -1.433 1.00 0.00 C ATOM 559 CD1 LEU A 38 0.281 -9.376 -1.951 1.00 0.00 C ATOM 560 CD2 LEU A 38 -1.141 -7.342 -2.475 1.00 0.00 C ATOM 0 H LEU A 38 -3.669 -9.058 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.993 -10.342 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.782 -7.453 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.334 -8.100 0.705 1.00 0.00 H new ATOM 0 HG LEU A 38 0.587 -7.398 -1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.819 -9.209 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.960 -9.802 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.544 -10.066 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.575 -7.216 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.028 -7.944 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.442 -6.365 -2.098 1.00 0.00 H new ATOM 572 N LEU A 39 -2.844 -10.992 1.668 1.00 0.00 N ATOM 573 CA LEU A 39 -3.294 -11.401 2.988 1.00 0.00 C ATOM 574 C LEU A 39 -2.290 -12.394 3.579 1.00 0.00 C ATOM 575 O LEU A 39 -2.643 -13.202 4.436 1.00 0.00 O ATOM 576 CB LEU A 39 -4.725 -11.938 2.924 1.00 0.00 C ATOM 577 CG LEU A 39 -5.747 -11.232 3.818 1.00 0.00 C ATOM 578 CD1 LEU A 39 -7.130 -11.869 3.677 1.00 0.00 C ATOM 579 CD2 LEU A 39 -5.274 -11.202 5.272 1.00 0.00 C ATOM 0 H LEU A 39 -3.124 -11.614 0.910 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.330 -10.544 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.070 -11.875 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.708 -12.995 3.190 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.835 -10.197 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.838 -11.349 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.461 -11.794 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.078 -12.919 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.018 -10.695 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.140 -12.222 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.326 -10.668 5.335 1.00 0.00 H new ATOM 591 N MET A 40 -1.060 -12.300 3.097 1.00 0.00 N ATOM 592 CA MET A 40 -0.003 -13.180 3.567 1.00 0.00 C ATOM 593 C MET A 40 0.726 -12.569 4.766 1.00 0.00 C ATOM 594 O MET A 40 1.703 -13.134 5.255 1.00 0.00 O ATOM 595 CB MET A 40 0.995 -13.429 2.435 1.00 0.00 C ATOM 596 CG MET A 40 1.036 -14.911 2.057 1.00 0.00 C ATOM 597 SD MET A 40 -0.583 -15.453 1.534 1.00 0.00 S ATOM 598 CE MET A 40 -0.638 -17.059 2.311 1.00 0.00 C ATOM 0 H MET A 40 -0.771 -11.628 2.386 1.00 0.00 H new ATOM 0 HA MET A 40 -0.452 -14.122 3.880 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.718 -12.835 1.564 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.988 -13.101 2.742 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.758 -15.071 1.256 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.369 -15.503 2.909 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.590 -17.540 2.085 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.179 -17.674 1.933 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.537 -16.945 3.390 1.00 0.00 H new ATOM 608 N SER A 41 0.223 -11.425 5.204 1.00 0.00 N ATOM 609 CA SER A 41 0.815 -10.731 6.335 1.00 0.00 C ATOM 610 C SER A 41 1.710 -9.593 5.842 1.00 0.00 C ATOM 611 O SER A 41 1.920 -9.440 4.640 1.00 0.00 O ATOM 612 CB SER A 41 1.615 -11.695 7.214 1.00 0.00 C ATOM 613 OG SER A 41 2.980 -11.776 6.810 1.00 0.00 O ATOM 0 H SER A 41 -0.588 -10.961 4.796 1.00 0.00 H new ATOM 0 HA SER A 41 0.010 -10.313 6.940 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.563 -11.368 8.252 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.164 -12.686 7.169 1.00 0.00 H new ATOM 0 HG SER A 41 3.070 -12.437 6.092 1.00 0.00 H new ATOM 619 N PRO A 42 2.228 -8.804 6.821 1.00 0.00 N ATOM 620 CA PRO A 42 3.097 -7.684 6.499 1.00 0.00 C ATOM 621 C PRO A 42 4.493 -8.170 6.103 1.00 0.00 C ATOM 622 O PRO A 42 5.448 -7.394 6.107 1.00 0.00 O ATOM 623 CB PRO A 42 3.101 -6.817 7.747 1.00 0.00 C ATOM 624 CG PRO A 42 2.614 -7.711 8.876 1.00 0.00 C ATOM 625 CD PRO A 42 2.002 -8.956 8.255 1.00 0.00 C ATOM 0 HA PRO A 42 2.748 -7.115 5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.101 -6.435 7.954 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.449 -5.952 7.624 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.441 -7.980 9.534 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.878 -7.188 9.487 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.474 -9.862 8.636 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.939 -9.030 8.483 1.00 0.00 H new ATOM 633 N SER A 43 4.567 -9.450 5.772 1.00 0.00 N ATOM 634 CA SER A 43 5.831 -10.048 5.375 1.00 0.00 C ATOM 635 C SER A 43 6.283 -9.472 4.031 1.00 0.00 C ATOM 636 O SER A 43 7.475 -9.458 3.728 1.00 0.00 O ATOM 637 CB SER A 43 5.716 -11.571 5.287 1.00 0.00 C ATOM 638 OG SER A 43 6.746 -12.139 4.482 1.00 0.00 O ATOM 0 H SER A 43 3.773 -10.090 5.770 1.00 0.00 H new ATOM 0 HA SER A 43 6.576 -9.810 6.135 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.763 -11.997 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.744 -11.838 4.873 1.00 0.00 H new ATOM 0 HG SER A 43 6.954 -13.041 4.805 1.00 0.00 H new ATOM 644 N ASP A 44 5.308 -9.010 3.263 1.00 0.00 N ATOM 645 CA ASP A 44 5.591 -8.434 1.959 1.00 0.00 C ATOM 646 C ASP A 44 6.941 -7.717 2.006 1.00 0.00 C ATOM 647 O ASP A 44 7.690 -7.732 1.030 1.00 0.00 O ATOM 648 CB ASP A 44 4.524 -7.410 1.566 1.00 0.00 C ATOM 649 CG ASP A 44 4.779 -6.686 0.243 1.00 0.00 C ATOM 650 OD1 ASP A 44 4.013 -6.831 -0.722 1.00 0.00 O ATOM 651 OD2 ASP A 44 5.829 -5.938 0.224 1.00 0.00 O ATOM 0 H ASP A 44 4.321 -9.023 3.518 1.00 0.00 H new ATOM 0 HA ASP A 44 5.601 -9.242 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.561 -7.916 1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.445 -6.667 2.360 1.00 0.00 H new ATOM 657 N LEU A 45 7.211 -7.105 3.150 1.00 0.00 N ATOM 658 CA LEU A 45 8.458 -6.383 3.336 1.00 0.00 C ATOM 659 C LEU A 45 9.610 -7.384 3.448 1.00 0.00 C ATOM 660 O LEU A 45 10.713 -7.122 2.971 1.00 0.00 O ATOM 661 CB LEU A 45 8.353 -5.431 4.529 1.00 0.00 C ATOM 662 CG LEU A 45 9.677 -5.012 5.172 1.00 0.00 C ATOM 663 CD1 LEU A 45 9.548 -3.650 5.856 1.00 0.00 C ATOM 664 CD2 LEU A 45 10.185 -6.089 6.132 1.00 0.00 C ATOM 0 H LEU A 45 6.587 -7.094 3.957 1.00 0.00 H new ATOM 0 HA LEU A 45 8.666 -5.752 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.828 -4.532 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.735 -5.904 5.292 1.00 0.00 H new ATOM 0 HG LEU A 45 10.421 -4.907 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.503 -3.376 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.264 -2.898 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.785 -3.703 6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.127 -5.766 6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.449 -6.250 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.341 -7.019 5.586 1.00 0.00 H new ATOM 676 N TYR A 46 9.314 -8.510 4.080 1.00 0.00 N ATOM 677 CA TYR A 46 10.311 -9.551 4.261 1.00 0.00 C ATOM 678 C TYR A 46 10.922 -9.964 2.920 1.00 0.00 C ATOM 679 O TYR A 46 11.910 -10.695 2.883 1.00 0.00 O ATOM 680 CB TYR A 46 9.568 -10.747 4.859 1.00 0.00 C ATOM 681 CG TYR A 46 9.186 -10.571 6.330 1.00 0.00 C ATOM 682 CD1 TYR A 46 9.821 -9.616 7.097 1.00 0.00 C ATOM 683 CD2 TYR A 46 8.206 -11.367 6.888 1.00 0.00 C ATOM 684 CE1 TYR A 46 9.461 -9.450 8.482 1.00 0.00 C ATOM 685 CE2 TYR A 46 7.847 -11.200 8.273 1.00 0.00 C ATOM 686 CZ TYR A 46 8.492 -10.250 9.001 1.00 0.00 C ATOM 687 OH TYR A 46 8.152 -10.093 10.309 1.00 0.00 O ATOM 0 H TYR A 46 8.398 -8.724 4.473 1.00 0.00 H new ATOM 0 HA TYR A 46 11.121 -9.200 4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.663 -10.927 4.278 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.192 -11.635 4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.587 -8.993 6.659 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.709 -12.114 6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.950 -8.707 9.094 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.082 -11.816 8.723 1.00 0.00 H new ATOM 0 HH TYR A 46 7.446 -10.731 10.542 1.00 0.00 H new ATOM 697 N SER A 47 10.308 -9.477 1.851 1.00 0.00 N ATOM 698 CA SER A 47 10.779 -9.786 0.512 1.00 0.00 C ATOM 699 C SER A 47 10.732 -8.530 -0.361 1.00 0.00 C ATOM 700 O SER A 47 9.711 -7.847 -0.418 1.00 0.00 O ATOM 701 CB SER A 47 9.947 -10.903 -0.120 1.00 0.00 C ATOM 702 OG SER A 47 10.512 -11.362 -1.345 1.00 0.00 O ATOM 0 H SER A 47 9.488 -8.871 1.886 1.00 0.00 H new ATOM 0 HA SER A 47 11.810 -10.134 0.583 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.869 -11.736 0.578 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.934 -10.543 -0.300 1.00 0.00 H new ATOM 0 HG SER A 47 9.953 -12.076 -1.716 1.00 0.00 H new ATOM 708 N PRO A 48 11.880 -8.258 -1.039 1.00 0.00 N ATOM 709 CA PRO A 48 11.979 -7.097 -1.907 1.00 0.00 C ATOM 710 C PRO A 48 11.220 -7.325 -3.215 1.00 0.00 C ATOM 711 O PRO A 48 11.346 -8.380 -3.835 1.00 0.00 O ATOM 712 CB PRO A 48 13.470 -6.887 -2.114 1.00 0.00 C ATOM 713 CG PRO A 48 14.132 -8.203 -1.739 1.00 0.00 C ATOM 714 CD PRO A 48 13.108 -9.046 -0.996 1.00 0.00 C ATOM 0 HA PRO A 48 11.521 -6.207 -1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.687 -6.621 -3.149 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.840 -6.072 -1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.479 -8.723 -2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 48 15.007 -8.025 -1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.973 -10.017 -1.473 1.00 0.00 H new ATOM 0 HD3 PRO A 48 13.421 -9.236 0.031 1.00 0.00 H new ATOM 722 N GLY A 49 10.449 -6.317 -3.598 1.00 0.00 N ATOM 723 CA GLY A 49 9.669 -6.394 -4.822 1.00 0.00 C ATOM 724 C GLY A 49 8.446 -7.294 -4.637 1.00 0.00 C ATOM 725 O GLY A 49 8.267 -8.263 -5.373 1.00 0.00 O ATOM 0 H GLY A 49 10.348 -5.443 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.348 -5.395 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.290 -6.780 -5.630 1.00 0.00 H new ATOM 729 N SER A 50 7.635 -6.942 -3.650 1.00 0.00 N ATOM 730 CA SER A 50 6.434 -7.706 -3.359 1.00 0.00 C ATOM 731 C SER A 50 5.206 -6.795 -3.424 1.00 0.00 C ATOM 732 O SER A 50 4.119 -7.183 -3.000 1.00 0.00 O ATOM 733 CB SER A 50 6.526 -8.376 -1.987 1.00 0.00 C ATOM 734 OG SER A 50 6.546 -9.798 -2.088 1.00 0.00 O ATOM 0 H SER A 50 7.786 -6.137 -3.042 1.00 0.00 H new ATOM 0 HA SER A 50 6.337 -8.490 -4.110 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.427 -8.036 -1.477 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.678 -8.068 -1.375 1.00 0.00 H new ATOM 0 HG SER A 50 6.607 -10.189 -1.191 1.00 0.00 H new ATOM 740 N TRP A 51 5.422 -5.602 -3.958 1.00 0.00 N ATOM 741 CA TRP A 51 4.346 -4.633 -4.083 1.00 0.00 C ATOM 742 C TRP A 51 3.760 -4.757 -5.491 1.00 0.00 C ATOM 743 O TRP A 51 2.803 -4.063 -5.832 1.00 0.00 O ATOM 744 CB TRP A 51 4.841 -3.221 -3.764 1.00 0.00 C ATOM 745 CG TRP A 51 4.837 -2.883 -2.271 1.00 0.00 C ATOM 746 CD1 TRP A 51 5.554 -3.453 -1.294 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.044 -1.866 -1.622 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.284 -2.881 -0.068 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.336 -1.885 -0.274 1.00 0.00 C ATOM 750 CE3 TRP A 51 3.111 -0.960 -2.157 1.00 0.00 C ATOM 751 CZ2 TRP A 51 3.739 -1.022 0.652 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.523 -0.104 -1.218 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.806 -0.110 0.142 1.00 0.00 C ATOM 0 H TRP A 51 6.325 -5.284 -4.309 1.00 0.00 H new ATOM 0 HA TRP A 51 3.557 -4.836 -3.358 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.854 -3.106 -4.149 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.216 -2.500 -4.291 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.256 -4.260 -1.447 1.00 0.00 H new ATOM 0 HE1 TRP A 51 5.703 -3.141 0.825 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.867 -0.927 -3.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.984 -1.057 1.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.798 0.612 -1.576 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.309 0.585 0.803 1.00 0.00 H new ATOM 764 N ASP A 52 4.359 -5.645 -6.271 1.00 0.00 N ATOM 765 CA ASP A 52 3.908 -5.869 -7.634 1.00 0.00 C ATOM 766 C ASP A 52 2.597 -6.658 -7.610 1.00 0.00 C ATOM 767 O ASP A 52 1.839 -6.639 -8.578 1.00 0.00 O ATOM 768 CB ASP A 52 4.934 -6.680 -8.427 1.00 0.00 C ATOM 769 CG ASP A 52 5.305 -6.095 -9.791 1.00 0.00 C ATOM 770 OD1 ASP A 52 5.513 -6.832 -10.767 1.00 0.00 O ATOM 771 OD2 ASP A 52 5.379 -4.808 -9.831 1.00 0.00 O ATOM 0 H ASP A 52 5.153 -6.218 -5.985 1.00 0.00 H new ATOM 0 HA ASP A 52 3.772 -4.897 -8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.841 -6.774 -7.830 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.544 -7.687 -8.574 1.00 0.00 H new ATOM 777 N PRO A 53 2.365 -7.352 -6.463 1.00 0.00 N ATOM 778 CA PRO A 53 1.160 -8.146 -6.300 1.00 0.00 C ATOM 779 C PRO A 53 -0.056 -7.253 -6.046 1.00 0.00 C ATOM 780 O PRO A 53 -1.159 -7.555 -6.500 1.00 0.00 O ATOM 781 CB PRO A 53 1.460 -9.084 -5.142 1.00 0.00 C ATOM 782 CG PRO A 53 2.637 -8.469 -4.402 1.00 0.00 C ATOM 783 CD PRO A 53 3.241 -7.398 -5.296 1.00 0.00 C ATOM 0 HA PRO A 53 0.905 -8.711 -7.197 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.595 -9.184 -4.486 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.704 -10.083 -5.502 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.310 -8.037 -3.456 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.379 -9.231 -4.164 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.277 -6.433 -4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.264 -7.648 -5.578 1.00 0.00 H new ATOM 791 N ILE A 54 0.186 -6.170 -5.323 1.00 0.00 N ATOM 792 CA ILE A 54 -0.875 -5.230 -5.003 1.00 0.00 C ATOM 793 C ILE A 54 -1.192 -4.387 -6.239 1.00 0.00 C ATOM 794 O ILE A 54 -2.309 -3.892 -6.387 1.00 0.00 O ATOM 795 CB ILE A 54 -0.504 -4.402 -3.771 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.713 -4.211 -2.854 1.00 0.00 C ATOM 797 CG2 ILE A 54 0.124 -3.067 -4.178 1.00 0.00 C ATOM 798 CD1 ILE A 54 -1.994 -2.725 -2.618 1.00 0.00 C ATOM 0 H ILE A 54 1.102 -5.922 -4.949 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.788 -5.762 -4.737 1.00 0.00 H new ATOM 0 HB ILE A 54 0.246 -4.952 -3.203 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.589 -4.684 -3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.532 -4.706 -1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.379 -2.497 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.027 -3.252 -4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.586 -2.500 -4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.858 -2.618 -1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.125 -2.260 -2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.199 -2.238 -3.571 1.00 0.00 H new ATOM 810 N THR A 55 -0.190 -4.248 -7.095 1.00 0.00 N ATOM 811 CA THR A 55 -0.349 -3.473 -8.314 1.00 0.00 C ATOM 812 C THR A 55 -1.332 -4.163 -9.261 1.00 0.00 C ATOM 813 O THR A 55 -2.291 -3.547 -9.724 1.00 0.00 O ATOM 814 CB THR A 55 1.038 -3.263 -8.924 1.00 0.00 C ATOM 815 OG1 THR A 55 1.497 -2.049 -8.336 1.00 0.00 O ATOM 816 CG2 THR A 55 0.978 -2.953 -10.421 1.00 0.00 C ATOM 0 H THR A 55 0.735 -4.659 -6.968 1.00 0.00 H new ATOM 0 HA THR A 55 -0.781 -2.494 -8.107 1.00 0.00 H new ATOM 0 HB THR A 55 1.644 -4.154 -8.762 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.471 -2.082 -8.235 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.989 -2.813 -10.804 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.503 -3.782 -10.945 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.400 -2.043 -10.581 1.00 0.00 H new ATOM 824 N ALA A 56 -1.060 -5.433 -9.522 1.00 0.00 N ATOM 825 CA ALA A 56 -1.909 -6.214 -10.405 1.00 0.00 C ATOM 826 C ALA A 56 -3.222 -6.539 -9.690 1.00 0.00 C ATOM 827 O ALA A 56 -4.187 -6.966 -10.320 1.00 0.00 O ATOM 828 CB ALA A 56 -1.161 -7.473 -10.851 1.00 0.00 C ATOM 0 H ALA A 56 -0.263 -5.941 -9.137 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.155 -5.645 -11.302 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.798 -8.059 -11.514 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.252 -7.188 -11.380 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.900 -8.070 -9.977 1.00 0.00 H new ATOM 834 N ALA A 57 -3.215 -6.322 -8.382 1.00 0.00 N ATOM 835 CA ALA A 57 -4.393 -6.586 -7.574 1.00 0.00 C ATOM 836 C ALA A 57 -5.519 -5.641 -7.998 1.00 0.00 C ATOM 837 O ALA A 57 -6.455 -6.052 -8.682 1.00 0.00 O ATOM 838 CB ALA A 57 -4.039 -6.444 -6.093 1.00 0.00 C ATOM 0 H ALA A 57 -2.412 -5.967 -7.863 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.743 -7.607 -7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.923 -6.642 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.256 -7.157 -5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.686 -5.431 -5.899 1.00 0.00 H new ATOM 844 N LEU A 58 -5.391 -4.392 -7.574 1.00 0.00 N ATOM 845 CA LEU A 58 -6.387 -3.385 -7.901 1.00 0.00 C ATOM 846 C LEU A 58 -6.633 -3.390 -9.411 1.00 0.00 C ATOM 847 O LEU A 58 -7.758 -3.178 -9.860 1.00 0.00 O ATOM 848 CB LEU A 58 -5.969 -2.021 -7.349 1.00 0.00 C ATOM 849 CG LEU A 58 -4.774 -1.357 -8.037 1.00 0.00 C ATOM 850 CD1 LEU A 58 -3.508 -2.199 -7.870 1.00 0.00 C ATOM 851 CD2 LEU A 58 -5.079 -1.066 -9.508 1.00 0.00 C ATOM 0 H LEU A 58 -4.613 -4.054 -7.007 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.338 -3.618 -7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.823 -1.347 -7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.736 -2.135 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.590 -0.399 -7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.674 -1.705 -8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.283 -2.311 -6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.664 -3.182 -8.313 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.213 -0.594 -9.973 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.305 -1.999 -10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.937 -0.397 -9.576 1.00 0.00 H new ATOM 863 N SER A 59 -5.562 -3.633 -10.152 1.00 0.00 N ATOM 864 CA SER A 59 -5.648 -3.667 -11.602 1.00 0.00 C ATOM 865 C SER A 59 -6.573 -4.802 -12.045 1.00 0.00 C ATOM 866 O SER A 59 -7.328 -4.655 -13.005 1.00 0.00 O ATOM 867 CB SER A 59 -4.264 -3.834 -12.232 1.00 0.00 C ATOM 868 OG SER A 59 -4.227 -3.355 -13.574 1.00 0.00 O ATOM 0 H SER A 59 -4.630 -3.808 -9.776 1.00 0.00 H new ATOM 0 HA SER A 59 -6.060 -2.717 -11.942 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.527 -3.297 -11.635 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.983 -4.887 -12.215 1.00 0.00 H new ATOM 0 HG SER A 59 -3.326 -3.478 -13.940 1.00 0.00 H new ATOM 874 N GLN A 60 -6.485 -5.910 -11.324 1.00 0.00 N ATOM 875 CA GLN A 60 -7.304 -7.070 -11.630 1.00 0.00 C ATOM 876 C GLN A 60 -8.776 -6.772 -11.340 1.00 0.00 C ATOM 877 O GLN A 60 -9.666 -7.389 -11.924 1.00 0.00 O ATOM 878 CB GLN A 60 -6.830 -8.298 -10.850 1.00 0.00 C ATOM 879 CG GLN A 60 -7.966 -9.308 -10.673 1.00 0.00 C ATOM 880 CD GLN A 60 -8.459 -9.821 -12.028 1.00 0.00 C ATOM 881 OE1 GLN A 60 -7.817 -9.659 -13.053 1.00 0.00 O ATOM 882 NE2 GLN A 60 -9.631 -10.448 -11.975 1.00 0.00 N ATOM 0 H GLN A 60 -5.858 -6.029 -10.528 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.200 -7.293 -12.692 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.999 -8.768 -11.376 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.456 -7.991 -9.873 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.622 -10.146 -10.066 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.791 -8.842 -10.134 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.116 -10.549 -11.083 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.045 -10.828 -12.826 1.00 0.00 H new ATOM 891 N ARG A 61 -8.989 -5.824 -10.439 1.00 0.00 N ATOM 892 CA ARG A 61 -10.338 -5.436 -10.065 1.00 0.00 C ATOM 893 C ARG A 61 -10.334 -4.038 -9.442 1.00 0.00 C ATOM 894 O ARG A 61 -10.700 -3.872 -8.279 1.00 0.00 O ATOM 895 CB ARG A 61 -10.941 -6.429 -9.069 1.00 0.00 C ATOM 896 CG ARG A 61 -9.886 -6.914 -8.072 1.00 0.00 C ATOM 897 CD ARG A 61 -10.475 -7.030 -6.665 1.00 0.00 C ATOM 898 NE ARG A 61 -11.202 -8.311 -6.525 1.00 0.00 N ATOM 899 CZ ARG A 61 -11.983 -8.627 -5.469 1.00 0.00 C ATOM 900 NH1 ARG A 61 -12.144 -7.755 -4.451 1.00 0.00 N ATOM 901 NH2 ARG A 61 -12.586 -9.801 -5.448 1.00 0.00 N ATOM 0 H ARG A 61 -8.249 -5.313 -9.957 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.945 -5.433 -10.970 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.764 -5.957 -8.532 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.358 -7.281 -9.606 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.499 -7.882 -8.389 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.044 -6.222 -8.062 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.679 -6.971 -5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.151 -6.196 -6.475 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.108 -8.999 -7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.674 -6.850 -4.476 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.735 -8.001 -3.657 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.459 -10.454 -6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.179 -10.056 -4.658 1.00 0.00 H new ATOM 914 N ALA A 62 -9.918 -3.069 -10.244 1.00 0.00 N ATOM 915 CA ALA A 62 -9.862 -1.691 -9.786 1.00 0.00 C ATOM 916 C ALA A 62 -11.286 -1.163 -9.597 1.00 0.00 C ATOM 917 O ALA A 62 -11.483 -0.087 -9.034 1.00 0.00 O ATOM 918 CB ALA A 62 -9.057 -0.854 -10.782 1.00 0.00 C ATOM 0 H ALA A 62 -9.617 -3.211 -11.208 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.356 -1.627 -8.823 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.015 0.180 -10.438 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.045 -1.252 -10.858 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.536 -0.892 -11.760 1.00 0.00 H new ATOM 1041 N LEU A 71 -9.273 4.010 -6.592 1.00 0.00 N ATOM 1042 CA LEU A 71 -7.887 3.573 -6.613 1.00 0.00 C ATOM 1043 C LEU A 71 -7.000 4.673 -6.027 1.00 0.00 C ATOM 1044 O LEU A 71 -5.852 4.423 -5.665 1.00 0.00 O ATOM 1045 CB LEU A 71 -7.483 3.142 -8.024 1.00 0.00 C ATOM 1046 CG LEU A 71 -7.060 1.680 -8.185 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -8.209 0.836 -8.740 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -5.798 1.565 -9.041 1.00 0.00 C ATOM 0 HA LEU A 71 -7.756 2.691 -5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.321 3.333 -8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.660 3.776 -8.354 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.816 1.284 -7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.883 -0.199 -8.845 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.057 0.881 -8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.507 1.223 -9.714 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.519 0.516 -9.139 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.989 1.984 -10.029 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.985 2.113 -8.566 1.00 0.00 H new ATOM 1060 N LYS A 72 -7.567 5.869 -5.953 1.00 0.00 N ATOM 1061 CA LYS A 72 -6.842 7.008 -5.418 1.00 0.00 C ATOM 1062 C LYS A 72 -6.027 6.564 -4.202 1.00 0.00 C ATOM 1063 O LYS A 72 -4.879 6.975 -4.035 1.00 0.00 O ATOM 1064 CB LYS A 72 -7.800 8.164 -5.126 1.00 0.00 C ATOM 1065 CG LYS A 72 -7.078 9.511 -5.212 1.00 0.00 C ATOM 1066 CD LYS A 72 -7.340 10.189 -6.558 1.00 0.00 C ATOM 1067 CE LYS A 72 -7.169 11.705 -6.450 1.00 0.00 C ATOM 1068 NZ LYS A 72 -6.460 12.233 -7.638 1.00 0.00 N ATOM 0 H LYS A 72 -8.520 6.073 -6.255 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.135 7.388 -6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.626 8.144 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.231 8.041 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.413 10.160 -4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.007 9.362 -5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.654 9.794 -7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.350 9.956 -6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.145 12.181 -6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.610 11.950 -5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.352 13.264 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.521 11.791 -7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.008 12.015 -8.495 1.00 0.00 H new ATOM 1081 N THR A 73 -6.651 5.729 -3.384 1.00 0.00 N ATOM 1082 CA THR A 73 -5.998 5.224 -2.188 1.00 0.00 C ATOM 1083 C THR A 73 -4.797 4.355 -2.564 1.00 0.00 C ATOM 1084 O THR A 73 -3.706 4.530 -2.022 1.00 0.00 O ATOM 1085 CB THR A 73 -7.046 4.485 -1.354 1.00 0.00 C ATOM 1086 OG1 THR A 73 -8.287 5.033 -1.790 1.00 0.00 O ATOM 1087 CG2 THR A 73 -6.978 4.851 0.130 1.00 0.00 C ATOM 0 H THR A 73 -7.602 5.389 -3.526 1.00 0.00 H new ATOM 0 HA THR A 73 -5.595 6.037 -1.583 1.00 0.00 H new ATOM 0 HB THR A 73 -6.909 3.410 -1.469 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.722 4.408 -2.406 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.743 4.299 0.676 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.994 4.594 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.148 5.921 0.249 1.00 0.00 H new ATOM 1095 N TRP A 74 -5.037 3.436 -3.488 1.00 0.00 N ATOM 1096 CA TRP A 74 -3.988 2.539 -3.942 1.00 0.00 C ATOM 1097 C TRP A 74 -2.895 3.384 -4.600 1.00 0.00 C ATOM 1098 O TRP A 74 -1.715 3.049 -4.522 1.00 0.00 O ATOM 1099 CB TRP A 74 -4.552 1.462 -4.870 1.00 0.00 C ATOM 1100 CG TRP A 74 -3.527 0.886 -5.850 1.00 0.00 C ATOM 1101 CD1 TRP A 74 -2.818 -0.245 -5.731 1.00 0.00 C ATOM 1102 CD2 TRP A 74 -3.123 1.463 -7.109 1.00 0.00 C ATOM 1103 NE1 TRP A 74 -1.989 -0.438 -6.818 1.00 0.00 N ATOM 1104 CE2 TRP A 74 -2.181 0.633 -7.683 1.00 0.00 C ATOM 1105 CE3 TRP A 74 -3.539 2.647 -7.743 1.00 0.00 C ATOM 1106 CZ2 TRP A 74 -1.576 0.898 -8.917 1.00 0.00 C ATOM 1107 CZ3 TRP A 74 -2.925 2.897 -8.976 1.00 0.00 C ATOM 1108 CH2 TRP A 74 -1.976 2.072 -9.567 1.00 0.00 C ATOM 0 H TRP A 74 -5.943 3.293 -3.935 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.551 1.999 -3.102 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.957 0.651 -4.265 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.383 1.883 -5.435 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.886 -0.920 -4.891 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.353 -1.222 -6.960 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.274 3.311 -7.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.840 0.233 -9.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.209 3.795 -9.505 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.549 2.335 -10.523 1.00 0.00 H new ATOM 1119 N GLY A 75 -3.328 4.464 -5.234 1.00 0.00 N ATOM 1120 CA GLY A 75 -2.402 5.360 -5.905 1.00 0.00 C ATOM 1121 C GLY A 75 -1.248 5.750 -4.980 1.00 0.00 C ATOM 1122 O GLY A 75 -0.081 5.605 -5.341 1.00 0.00 O ATOM 0 H GLY A 75 -4.308 4.739 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.008 4.878 -6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.930 6.256 -6.231 1.00 0.00 H new ATOM 1126 N LEU A 76 -1.614 6.236 -3.803 1.00 0.00 N ATOM 1127 CA LEU A 76 -0.624 6.648 -2.823 1.00 0.00 C ATOM 1128 C LEU A 76 0.147 5.420 -2.335 1.00 0.00 C ATOM 1129 O LEU A 76 1.363 5.473 -2.164 1.00 0.00 O ATOM 1130 CB LEU A 76 -1.285 7.446 -1.697 1.00 0.00 C ATOM 1131 CG LEU A 76 -1.585 8.915 -2.003 1.00 0.00 C ATOM 1132 CD1 LEU A 76 -3.092 9.153 -2.120 1.00 0.00 C ATOM 1133 CD2 LEU A 76 -0.939 9.835 -0.964 1.00 0.00 C ATOM 0 H LEU A 76 -2.583 6.354 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 76 0.103 7.322 -3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.220 6.953 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.639 7.403 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.143 9.160 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.278 10.205 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.496 8.539 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.577 8.885 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.168 10.873 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.330 9.598 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.141 9.690 -0.972 1.00 0.00 H new ATOM 1145 N VAL A 77 -0.594 4.341 -2.126 1.00 0.00 N ATOM 1146 CA VAL A 77 0.005 3.101 -1.662 1.00 0.00 C ATOM 1147 C VAL A 77 0.944 2.558 -2.741 1.00 0.00 C ATOM 1148 O VAL A 77 2.129 2.348 -2.489 1.00 0.00 O ATOM 1149 CB VAL A 77 -1.089 2.107 -1.267 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -1.519 1.259 -2.466 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -0.633 1.223 -0.105 1.00 0.00 C ATOM 0 H VAL A 77 -1.603 4.300 -2.269 1.00 0.00 H new ATOM 0 HA VAL A 77 0.604 3.277 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.955 2.678 -0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.297 0.561 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.905 1.909 -3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.662 0.702 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.429 0.526 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.256 0.665 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.400 1.847 0.758 1.00 0.00 H new ATOM 1161 N LEU A 78 0.378 2.345 -3.920 1.00 0.00 N ATOM 1162 CA LEU A 78 1.150 1.830 -5.039 1.00 0.00 C ATOM 1163 C LEU A 78 2.113 2.913 -5.530 1.00 0.00 C ATOM 1164 O LEU A 78 3.325 2.707 -5.553 1.00 0.00 O ATOM 1165 CB LEU A 78 0.221 1.293 -6.129 1.00 0.00 C ATOM 1166 CG LEU A 78 0.744 0.097 -6.927 1.00 0.00 C ATOM 1167 CD1 LEU A 78 2.056 0.442 -7.634 1.00 0.00 C ATOM 1168 CD2 LEU A 78 0.881 -1.139 -6.036 1.00 0.00 C ATOM 0 H LEU A 78 -0.606 2.520 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 78 1.758 0.982 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.724 1.010 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.005 2.103 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 78 0.015 -0.143 -7.700 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.406 -0.425 -8.194 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.892 1.274 -8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.805 0.723 -6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.254 -1.975 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.579 -0.928 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.093 -1.396 -5.619 1.00 0.00 H new ATOM 1180 N GLY A 79 1.536 4.044 -5.910 1.00 0.00 N ATOM 1181 CA GLY A 79 2.328 5.160 -6.400 1.00 0.00 C ATOM 1182 C GLY A 79 3.638 5.287 -5.619 1.00 0.00 C ATOM 1183 O GLY A 79 4.646 5.740 -6.160 1.00 0.00 O ATOM 0 H GLY A 79 0.530 4.212 -5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.544 5.020 -7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.756 6.084 -6.311 1.00 0.00 H new ATOM 1187 N ALA A 80 3.581 4.879 -4.360 1.00 0.00 N ATOM 1188 CA ALA A 80 4.750 4.942 -3.499 1.00 0.00 C ATOM 1189 C ALA A 80 5.779 3.911 -3.968 1.00 0.00 C ATOM 1190 O ALA A 80 6.958 4.227 -4.114 1.00 0.00 O ATOM 1191 CB ALA A 80 4.326 4.723 -2.046 1.00 0.00 C ATOM 0 H ALA A 80 2.743 4.503 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 80 5.218 5.925 -3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.203 4.770 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.617 5.498 -1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.855 3.745 -1.948 1.00 0.00 H new ATOM 1197 N LEU A 81 5.294 2.698 -4.191 1.00 0.00 N ATOM 1198 CA LEU A 81 6.157 1.618 -4.641 1.00 0.00 C ATOM 1199 C LEU A 81 6.934 2.073 -5.878 1.00 0.00 C ATOM 1200 O LEU A 81 8.138 1.843 -5.978 1.00 0.00 O ATOM 1201 CB LEU A 81 5.346 0.340 -4.860 1.00 0.00 C ATOM 1202 CG LEU A 81 6.141 -0.892 -5.297 1.00 0.00 C ATOM 1203 CD1 LEU A 81 6.852 -0.643 -6.628 1.00 0.00 C ATOM 1204 CD2 LEU A 81 7.113 -1.334 -4.201 1.00 0.00 C ATOM 0 H LEU A 81 4.315 2.439 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 81 6.892 1.374 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.824 0.101 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.584 0.542 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 81 5.440 -1.712 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.409 -1.535 -6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.115 -0.413 -7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.539 0.196 -6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.666 -2.211 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.812 -0.525 -3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.555 -1.581 -3.298 1.00 0.00 H new ATOM 1216 N LYS A 82 6.213 2.711 -6.788 1.00 0.00 N ATOM 1217 CA LYS A 82 6.819 3.200 -8.015 1.00 0.00 C ATOM 1218 C LYS A 82 7.757 4.363 -7.686 1.00 0.00 C ATOM 1219 O LYS A 82 8.680 4.655 -8.446 1.00 0.00 O ATOM 1220 CB LYS A 82 5.741 3.551 -9.042 1.00 0.00 C ATOM 1221 CG LYS A 82 5.432 2.354 -9.943 1.00 0.00 C ATOM 1222 CD LYS A 82 4.138 1.661 -9.509 1.00 0.00 C ATOM 1223 CE LYS A 82 4.392 0.192 -9.164 1.00 0.00 C ATOM 1224 NZ LYS A 82 5.457 -0.366 -10.026 1.00 0.00 N ATOM 0 H LYS A 82 5.215 2.901 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 82 7.425 2.421 -8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.833 3.868 -8.528 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.073 4.392 -9.650 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.342 2.686 -10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.259 1.644 -9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.719 2.174 -8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.400 1.728 -10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.680 0.103 -8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.474 -0.382 -9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.330 -1.395 -10.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.405 0.070 -10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.386 -0.166 -9.603 1.00 0.00 H new ATOM 1237 N ALA A 83 7.489 4.996 -6.553 1.00 0.00 N ATOM 1238 CA ALA A 83 8.298 6.120 -6.114 1.00 0.00 C ATOM 1239 C ALA A 83 9.680 5.616 -5.695 1.00 0.00 C ATOM 1240 O ALA A 83 10.684 6.293 -5.912 1.00 0.00 O ATOM 1241 CB ALA A 83 7.578 6.856 -4.983 1.00 0.00 C ATOM 0 H ALA A 83 6.723 4.752 -5.926 1.00 0.00 H new ATOM 0 HA ALA A 83 8.440 6.831 -6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.185 7.699 -4.653 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.615 7.220 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.420 6.174 -4.147 1.00 0.00 H new ATOM 1247 N ALA A 84 9.688 4.431 -5.103 1.00 0.00 N ATOM 1248 CA ALA A 84 10.931 3.828 -4.651 1.00 0.00 C ATOM 1249 C ALA A 84 11.820 3.535 -5.862 1.00 0.00 C ATOM 1250 O ALA A 84 12.998 3.887 -5.870 1.00 0.00 O ATOM 1251 CB ALA A 84 10.622 2.570 -3.837 1.00 0.00 C ATOM 0 H ALA A 84 8.854 3.872 -4.926 1.00 0.00 H new ATOM 0 HA ALA A 84 11.475 4.512 -4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.554 2.118 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.013 2.836 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.079 1.859 -4.459 1.00 0.00 H new ATOM 1257 N ARG A 85 11.221 2.894 -6.854 1.00 0.00 N ATOM 1258 CA ARG A 85 11.944 2.549 -8.067 1.00 0.00 C ATOM 1259 C ARG A 85 12.313 3.816 -8.842 1.00 0.00 C ATOM 1260 O ARG A 85 13.219 3.796 -9.674 1.00 0.00 O ATOM 1261 CB ARG A 85 11.108 1.636 -8.966 1.00 0.00 C ATOM 1262 CG ARG A 85 11.862 0.344 -9.286 1.00 0.00 C ATOM 1263 CD ARG A 85 10.918 -0.860 -9.272 1.00 0.00 C ATOM 1264 NE ARG A 85 11.695 -2.115 -9.384 1.00 0.00 N ATOM 1265 CZ ARG A 85 11.150 -3.349 -9.343 1.00 0.00 C ATOM 1266 NH1 ARG A 85 9.817 -3.505 -9.191 1.00 0.00 N ATOM 1267 NH2 ARG A 85 11.939 -4.401 -9.453 1.00 0.00 N ATOM 0 H ARG A 85 10.243 2.604 -6.843 1.00 0.00 H new ATOM 0 HA ARG A 85 12.851 2.020 -7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.165 1.399 -8.473 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.862 2.157 -9.891 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.336 0.428 -10.264 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.659 0.194 -8.558 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.335 -0.865 -8.351 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.210 -0.787 -10.097 1.00 0.00 H new ATOM 0 HE ARG A 85 12.706 -2.043 -9.499 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.214 -2.687 -9.106 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.413 -4.441 -9.161 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.945 -4.275 -9.567 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.543 -5.341 -9.424 1.00 0.00 H new ATOM 1280 N GLU A 86 11.594 4.887 -8.541 1.00 0.00 N ATOM 1281 CA GLU A 86 11.835 6.160 -9.198 1.00 0.00 C ATOM 1282 C GLU A 86 13.023 6.875 -8.551 1.00 0.00 C ATOM 1283 O GLU A 86 13.547 7.840 -9.105 1.00 0.00 O ATOM 1284 CB GLU A 86 10.583 7.039 -9.168 1.00 0.00 C ATOM 1285 CG GLU A 86 9.977 7.178 -10.566 1.00 0.00 C ATOM 1286 CD GLU A 86 8.450 7.116 -10.510 1.00 0.00 C ATOM 1287 OE1 GLU A 86 7.839 6.262 -11.171 1.00 0.00 O ATOM 1288 OE2 GLU A 86 7.896 7.995 -9.746 1.00 0.00 O ATOM 0 H GLU A 86 10.844 4.899 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 86 12.078 5.967 -10.243 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.847 6.607 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.836 8.025 -8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.290 8.123 -11.010 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.353 6.383 -11.210 1.00 0.00 H new ATOM 1296 N GLU A 87 13.412 6.374 -7.388 1.00 0.00 N ATOM 1297 CA GLU A 87 14.528 6.953 -6.660 1.00 0.00 C ATOM 1298 C GLU A 87 15.076 5.950 -5.643 1.00 0.00 C ATOM 1299 O GLU A 87 16.026 5.224 -5.931 1.00 0.00 O ATOM 1300 CB GLU A 87 14.118 8.259 -5.976 1.00 0.00 C ATOM 1301 CG GLU A 87 15.289 8.860 -5.196 1.00 0.00 C ATOM 1302 CD GLU A 87 16.361 9.399 -6.145 1.00 0.00 C ATOM 1303 OE1 GLU A 87 16.550 10.621 -6.237 1.00 0.00 O ATOM 1304 OE2 GLU A 87 17.011 8.498 -6.801 1.00 0.00 O ATOM 0 H GLU A 87 12.974 5.574 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 87 15.319 7.187 -7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.770 8.972 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 87 13.283 8.073 -5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.929 9.664 -4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.723 8.102 -4.544 1.00 0.00 H new