USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 809 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 69 CYS SG : rot 145:sc= 0.974 USER MOD Set 1.2: A 78 GLN : amide:sc= -3.79! C(o=-2.8!,f=-9.6!) USER MOD Set 2.1: A 1 MET N :NH3+ 180:sc= 0.207 (180deg=-0.266) USER MOD Set 2.2: A 46 SER OG : rot 39:sc= -1.66! USER MOD Set 3.1: A 30 THR OG1 : rot -34:sc= 0.108 USER MOD Set 3.2: A 39 LYS NZ :NH3+ -116:sc= -0.925 (180deg=-3.09!) USER MOD Set 4.1: A 32 CYS SG : rot 164:sc= -0.0753 USER MOD Set 4.2: A 35 CYS SG : rot 71:sc= -0.499 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -2.31 K(o=-2.3,f=-1.7) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0276 USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0475) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.93! K(o=-2.9!,f=-0.19) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 36 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.542) USER MOD Single : A 37 MET CE :methyl 164:sc= 0 (180deg=-0.069) USER MOD Single : A 43 HIS : no HE2:sc= 0.422 K(o=0.42,f=-4.2!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 160:sc=-0.00821 (180deg=-0.209) USER MOD Single : A 49 TYR OH : rot 179:sc= 0.375 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0488 USER MOD Single : A 51 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.72) USER MOD Single : A 62 CYS SG : rot 21:sc= -0.801 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -37:sc= 0.577 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.211 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0615 USER MOD Single : A 76 THR OG1 : rot 94:sc= -0.489! USER MOD Single : A 81 LYS NZ :NH3+ -144:sc= -0.145 (180deg=-0.887) USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0392) USER MOD Single : A 84 GLN : amide:sc= -0.0622 K(o=-0.062,f=-1.2!) USER MOD Single : A 85 LYS NZ :NH3+ -179:sc= 0.0151 (180deg=0.0149) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -5.55! K(o=-5.5!,f=-0.27) USER MOD Single : A 94 LYS NZ :NH3+ -148:sc= -0.0851 (180deg=-0.63) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 91:sc= 0.535 USER MOD Single : A 102 ASN : amide:sc= -0.125 K(o=-0.12,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.232 0.388 11.244 1.00 3.29 N ATOM 2 CA MET A 1 -5.316 -1.048 10.851 1.00 1.43 C ATOM 3 C MET A 1 -4.283 -1.337 9.759 1.00 0.97 C ATOM 4 O MET A 1 -3.984 -2.480 9.471 1.00 1.00 O ATOM 5 CB MET A 1 -6.711 -1.383 10.326 1.00 0.69 C ATOM 6 CG MET A 1 -7.748 -1.035 11.395 1.00 1.37 C ATOM 7 SD MET A 1 -9.315 -1.938 11.358 1.00 2.62 S ATOM 8 CE MET A 1 -10.054 -1.170 12.820 1.00 3.27 C ATOM 0 H1 MET A 1 -5.933 0.586 11.986 1.00 3.29 H new ATOM 0 H2 MET A 1 -4.279 0.594 11.605 1.00 3.29 H new ATOM 0 H3 MET A 1 -5.426 0.986 10.416 1.00 3.29 H new ATOM 0 HA MET A 1 -5.115 -1.662 11.729 1.00 1.43 H new ATOM 0 HB2 MET A 1 -6.912 -0.825 9.412 1.00 0.69 H new ATOM 0 HB3 MET A 1 -6.773 -2.441 10.073 1.00 0.69 H new ATOM 0 HG2 MET A 1 -7.291 -1.193 12.372 1.00 1.37 H new ATOM 0 HG3 MET A 1 -7.970 0.029 11.315 1.00 1.37 H new ATOM 0 HE1 MET A 1 -11.047 -1.588 12.988 1.00 3.27 H new ATOM 0 HE2 MET A 1 -9.427 -1.365 13.690 1.00 3.27 H new ATOM 0 HE3 MET A 1 -10.135 -0.094 12.664 1.00 3.27 H new ATOM 20 N VAL A 2 -3.760 -0.294 9.172 1.00 0.64 N ATOM 21 CA VAL A 2 -2.740 -0.492 8.101 1.00 0.41 C ATOM 22 C VAL A 2 -1.717 -1.535 8.554 1.00 0.54 C ATOM 23 O VAL A 2 -1.125 -1.414 9.607 1.00 1.02 O ATOM 24 CB VAL A 2 -2.040 0.834 7.832 1.00 0.68 C ATOM 25 CG1 VAL A 2 -1.041 0.656 6.689 1.00 0.92 C ATOM 26 CG2 VAL A 2 -3.086 1.866 7.423 1.00 0.57 C ATOM 0 H VAL A 2 -3.991 0.676 9.384 1.00 0.64 H new ATOM 0 HA VAL A 2 -3.224 -0.842 7.189 1.00 0.41 H new ATOM 0 HB VAL A 2 -1.515 1.165 8.728 1.00 0.68 H new ATOM 0 HG11 VAL A 2 -0.538 1.603 6.494 1.00 0.92 H new ATOM 0 HG12 VAL A 2 -0.302 -0.096 6.965 1.00 0.92 H new ATOM 0 HG13 VAL A 2 -1.569 0.334 5.791 1.00 0.92 H new ATOM 0 HG21 VAL A 2 -2.598 2.821 7.227 1.00 0.57 H new ATOM 0 HG22 VAL A 2 -3.597 1.528 6.522 1.00 0.57 H new ATOM 0 HG23 VAL A 2 -3.811 1.987 8.228 1.00 0.57 H new ATOM 36 N LYS A 3 -1.533 -2.537 7.747 1.00 0.69 N ATOM 37 CA LYS A 3 -0.564 -3.608 8.117 1.00 0.82 C ATOM 38 C LYS A 3 0.849 -3.244 7.650 1.00 0.65 C ATOM 39 O LYS A 3 1.108 -3.140 6.468 1.00 0.89 O ATOM 40 CB LYS A 3 -0.996 -4.915 7.455 1.00 0.94 C ATOM 41 CG LYS A 3 -0.202 -6.070 8.064 1.00 1.20 C ATOM 42 CD LYS A 3 -1.091 -6.820 9.056 1.00 0.67 C ATOM 43 CE LYS A 3 -0.251 -7.869 9.786 1.00 0.63 C ATOM 44 NZ LYS A 3 -1.047 -8.515 10.866 1.00 1.38 N ATOM 0 H LYS A 3 -2.006 -2.664 6.852 1.00 0.69 H new ATOM 0 HA LYS A 3 -0.553 -3.718 9.201 1.00 0.82 H new ATOM 0 HB2 LYS A 3 -2.064 -5.075 7.601 1.00 0.94 H new ATOM 0 HB3 LYS A 3 -0.825 -4.867 6.380 1.00 0.94 H new ATOM 0 HG2 LYS A 3 0.140 -6.746 7.280 1.00 1.20 H new ATOM 0 HG3 LYS A 3 0.687 -5.691 8.568 1.00 1.20 H new ATOM 0 HD2 LYS A 3 -1.527 -6.123 9.772 1.00 0.67 H new ATOM 0 HD3 LYS A 3 -1.918 -7.299 8.532 1.00 0.67 H new ATOM 0 HE2 LYS A 3 0.094 -8.624 9.079 1.00 0.63 H new ATOM 0 HE3 LYS A 3 0.637 -7.401 10.211 1.00 0.63 H new ATOM 0 HZ1 LYS A 3 -0.462 -9.225 11.352 1.00 1.38 H new ATOM 0 HZ2 LYS A 3 -1.355 -7.794 11.549 1.00 1.38 H new ATOM 0 HZ3 LYS A 3 -1.881 -8.979 10.453 1.00 1.38 H new ATOM 58 N GLN A 4 1.731 -3.057 8.592 1.00 0.34 N ATOM 59 CA GLN A 4 3.132 -2.705 8.225 1.00 0.26 C ATOM 60 C GLN A 4 3.937 -3.979 7.947 1.00 0.12 C ATOM 61 O GLN A 4 3.991 -4.873 8.769 1.00 0.19 O ATOM 62 CB GLN A 4 3.774 -1.937 9.379 1.00 0.42 C ATOM 63 CG GLN A 4 5.253 -1.701 9.067 1.00 0.41 C ATOM 64 CD GLN A 4 5.748 -0.484 9.848 1.00 0.57 C ATOM 65 OE1 GLN A 4 6.694 0.173 9.462 1.00 0.66 O ATOM 66 NE2 GLN A 4 5.138 -0.148 10.953 1.00 1.69 N ATOM 0 H GLN A 4 1.545 -3.132 9.592 1.00 0.34 H new ATOM 0 HA GLN A 4 3.126 -2.087 7.327 1.00 0.26 H new ATOM 0 HB2 GLN A 4 3.265 -0.984 9.525 1.00 0.42 H new ATOM 0 HB3 GLN A 4 3.671 -2.499 10.307 1.00 0.42 H new ATOM 0 HG2 GLN A 4 5.838 -2.581 9.335 1.00 0.41 H new ATOM 0 HG3 GLN A 4 5.389 -1.541 7.998 1.00 0.41 H new ATOM 0 HE21 GLN A 4 4.343 -0.695 11.283 1.00 1.69 H new ATOM 0 HE22 GLN A 4 5.457 0.661 11.486 1.00 1.69 H new ATOM 75 N ILE A 5 4.543 -4.035 6.794 1.00 0.21 N ATOM 76 CA ILE A 5 5.344 -5.247 6.445 1.00 0.13 C ATOM 77 C ILE A 5 6.804 -5.061 6.879 1.00 0.32 C ATOM 78 O ILE A 5 7.198 -3.992 7.300 1.00 0.49 O ATOM 79 CB ILE A 5 5.284 -5.461 4.925 1.00 0.13 C ATOM 80 CG1 ILE A 5 3.815 -5.406 4.456 1.00 0.28 C ATOM 81 CG2 ILE A 5 5.912 -6.823 4.558 1.00 0.09 C ATOM 82 CD1 ILE A 5 2.967 -6.397 5.265 1.00 0.35 C ATOM 0 H ILE A 5 4.521 -3.304 6.083 1.00 0.21 H new ATOM 0 HA ILE A 5 4.933 -6.114 6.962 1.00 0.13 H new ATOM 0 HB ILE A 5 5.848 -4.673 4.426 1.00 0.13 H new ATOM 0 HG12 ILE A 5 3.424 -4.396 4.578 1.00 0.28 H new ATOM 0 HG13 ILE A 5 3.755 -5.645 3.394 1.00 0.28 H new ATOM 0 HG21 ILE A 5 5.865 -6.966 3.478 1.00 0.09 H new ATOM 0 HG22 ILE A 5 6.953 -6.843 4.882 1.00 0.09 H new ATOM 0 HG23 ILE A 5 5.362 -7.623 5.054 1.00 0.09 H new ATOM 0 HD11 ILE A 5 1.932 -6.351 4.927 1.00 0.35 H new ATOM 0 HD12 ILE A 5 3.351 -7.407 5.121 1.00 0.35 H new ATOM 0 HD13 ILE A 5 3.015 -6.138 6.323 1.00 0.35 H new ATOM 94 N GLU A 6 7.574 -6.111 6.769 1.00 0.35 N ATOM 95 CA GLU A 6 9.011 -6.014 7.166 1.00 0.54 C ATOM 96 C GLU A 6 9.827 -7.113 6.473 1.00 0.31 C ATOM 97 O GLU A 6 10.932 -7.419 6.876 1.00 0.85 O ATOM 98 CB GLU A 6 9.120 -6.174 8.681 1.00 1.06 C ATOM 99 CG GLU A 6 7.929 -6.991 9.184 1.00 1.20 C ATOM 100 CD GLU A 6 8.222 -7.492 10.599 1.00 0.89 C ATOM 101 OE1 GLU A 6 8.258 -6.644 11.475 1.00 1.65 O ATOM 102 OE2 GLU A 6 8.393 -8.693 10.723 1.00 0.81 O ATOM 0 H GLU A 6 7.275 -7.024 6.425 1.00 0.35 H new ATOM 0 HA GLU A 6 9.404 -5.043 6.865 1.00 0.54 H new ATOM 0 HB2 GLU A 6 10.054 -6.672 8.940 1.00 1.06 H new ATOM 0 HB3 GLU A 6 9.136 -5.196 9.162 1.00 1.06 H new ATOM 0 HG2 GLU A 6 7.027 -6.379 9.182 1.00 1.20 H new ATOM 0 HG3 GLU A 6 7.744 -7.834 8.518 1.00 1.20 H new ATOM 109 N SER A 7 9.261 -7.680 5.442 1.00 0.66 N ATOM 110 CA SER A 7 9.984 -8.760 4.705 1.00 0.37 C ATOM 111 C SER A 7 9.127 -9.267 3.538 1.00 0.40 C ATOM 112 O SER A 7 7.983 -8.881 3.389 1.00 0.52 O ATOM 113 CB SER A 7 10.273 -9.913 5.662 1.00 0.59 C ATOM 114 OG SER A 7 9.098 -10.012 6.453 1.00 1.15 O ATOM 0 H SER A 7 8.337 -7.446 5.079 1.00 0.66 H new ATOM 0 HA SER A 7 10.919 -8.362 4.311 1.00 0.37 H new ATOM 0 HB2 SER A 7 10.469 -10.839 5.122 1.00 0.59 H new ATOM 0 HB3 SER A 7 11.151 -9.711 6.276 1.00 0.59 H new ATOM 0 HG SER A 7 9.201 -10.739 7.102 1.00 1.15 H new ATOM 120 N LYS A 8 9.700 -10.122 2.736 1.00 0.32 N ATOM 121 CA LYS A 8 8.935 -10.666 1.575 1.00 0.35 C ATOM 122 C LYS A 8 8.041 -11.815 2.045 1.00 0.30 C ATOM 123 O LYS A 8 6.870 -11.877 1.717 1.00 0.29 O ATOM 124 CB LYS A 8 9.931 -11.170 0.521 1.00 0.43 C ATOM 125 CG LYS A 8 9.182 -11.592 -0.754 1.00 0.58 C ATOM 126 CD LYS A 8 9.864 -12.827 -1.349 1.00 0.28 C ATOM 127 CE LYS A 8 9.277 -13.110 -2.734 1.00 0.85 C ATOM 128 NZ LYS A 8 7.866 -13.575 -2.619 1.00 2.04 N ATOM 0 H LYS A 8 10.656 -10.466 2.831 1.00 0.32 H new ATOM 0 HA LYS A 8 8.307 -9.888 1.141 1.00 0.35 H new ATOM 0 HB2 LYS A 8 10.652 -10.387 0.286 1.00 0.43 H new ATOM 0 HB3 LYS A 8 10.495 -12.014 0.917 1.00 0.43 H new ATOM 0 HG2 LYS A 8 8.140 -11.813 -0.523 1.00 0.58 H new ATOM 0 HG3 LYS A 8 9.182 -10.777 -1.478 1.00 0.58 H new ATOM 0 HD2 LYS A 8 10.939 -12.663 -1.423 1.00 0.28 H new ATOM 0 HD3 LYS A 8 9.718 -13.688 -0.696 1.00 0.28 H new ATOM 0 HE2 LYS A 8 9.320 -12.208 -3.345 1.00 0.85 H new ATOM 0 HE3 LYS A 8 9.875 -13.867 -3.241 1.00 0.85 H new ATOM 0 HZ1 LYS A 8 7.511 -13.843 -3.559 1.00 2.04 H new ATOM 0 HZ2 LYS A 8 7.822 -14.398 -1.985 1.00 2.04 H new ATOM 0 HZ3 LYS A 8 7.278 -12.809 -2.233 1.00 2.04 H new ATOM 142 N THR A 9 8.613 -12.693 2.805 1.00 0.29 N ATOM 143 CA THR A 9 7.829 -13.848 3.314 1.00 0.28 C ATOM 144 C THR A 9 6.538 -13.354 3.960 1.00 0.21 C ATOM 145 O THR A 9 5.509 -13.993 3.876 1.00 0.22 O ATOM 146 CB THR A 9 8.664 -14.603 4.352 1.00 0.27 C ATOM 147 OG1 THR A 9 9.729 -15.185 3.607 1.00 0.24 O ATOM 148 CG2 THR A 9 7.893 -15.780 4.942 1.00 0.25 C ATOM 0 H THR A 9 9.590 -12.665 3.098 1.00 0.29 H new ATOM 0 HA THR A 9 7.581 -14.512 2.486 1.00 0.28 H new ATOM 0 HB THR A 9 8.962 -13.927 5.153 1.00 0.27 H new ATOM 0 HG1 THR A 9 10.314 -15.689 4.211 1.00 0.24 H new ATOM 0 HG21 THR A 9 8.516 -16.293 5.675 1.00 0.25 H new ATOM 0 HG22 THR A 9 6.988 -15.415 5.427 1.00 0.25 H new ATOM 0 HG23 THR A 9 7.623 -16.474 4.146 1.00 0.25 H new ATOM 156 N ALA A 10 6.630 -12.227 4.590 1.00 0.15 N ATOM 157 CA ALA A 10 5.432 -11.654 5.255 1.00 0.08 C ATOM 158 C ALA A 10 4.488 -11.046 4.216 1.00 0.11 C ATOM 159 O ALA A 10 3.300 -11.285 4.242 1.00 0.15 O ATOM 160 CB ALA A 10 5.873 -10.575 6.235 1.00 0.07 C ATOM 0 H ALA A 10 7.483 -11.674 4.676 1.00 0.15 H new ATOM 0 HA ALA A 10 4.905 -12.446 5.787 1.00 0.08 H new ATOM 0 HB1 ALA A 10 4.998 -10.150 6.727 1.00 0.07 H new ATOM 0 HB2 ALA A 10 6.534 -11.012 6.984 1.00 0.07 H new ATOM 0 HB3 ALA A 10 6.404 -9.790 5.697 1.00 0.07 H new ATOM 166 N PHE A 11 5.033 -10.260 3.331 1.00 0.10 N ATOM 167 CA PHE A 11 4.172 -9.645 2.284 1.00 0.12 C ATOM 168 C PHE A 11 3.231 -10.711 1.716 1.00 0.13 C ATOM 169 O PHE A 11 2.148 -10.412 1.257 1.00 0.15 O ATOM 170 CB PHE A 11 5.063 -9.098 1.167 1.00 0.12 C ATOM 171 CG PHE A 11 4.193 -8.460 0.079 1.00 0.10 C ATOM 172 CD1 PHE A 11 3.418 -7.348 0.361 1.00 0.13 C ATOM 173 CD2 PHE A 11 4.171 -8.986 -1.202 1.00 0.09 C ATOM 174 CE1 PHE A 11 2.634 -6.774 -0.622 1.00 0.16 C ATOM 175 CE2 PHE A 11 3.388 -8.410 -2.181 1.00 0.08 C ATOM 176 CZ PHE A 11 2.621 -7.305 -1.891 1.00 0.13 C ATOM 0 H PHE A 11 6.023 -10.019 3.286 1.00 0.10 H new ATOM 0 HA PHE A 11 3.583 -8.834 2.713 1.00 0.12 H new ATOM 0 HB2 PHE A 11 5.757 -8.361 1.570 1.00 0.12 H new ATOM 0 HB3 PHE A 11 5.664 -9.902 0.741 1.00 0.12 H new ATOM 0 HD1 PHE A 11 3.426 -6.926 1.355 1.00 0.13 H new ATOM 0 HD2 PHE A 11 4.771 -9.853 -1.436 1.00 0.09 H new ATOM 0 HE1 PHE A 11 2.031 -5.908 -0.394 1.00 0.16 H new ATOM 0 HE2 PHE A 11 3.377 -8.827 -3.177 1.00 0.08 H new ATOM 0 HZ PHE A 11 2.009 -6.855 -2.659 1.00 0.13 H new ATOM 186 N GLN A 12 3.676 -11.936 1.766 1.00 0.12 N ATOM 187 CA GLN A 12 2.835 -13.057 1.238 1.00 0.13 C ATOM 188 C GLN A 12 1.715 -13.423 2.217 1.00 0.13 C ATOM 189 O GLN A 12 0.549 -13.225 1.936 1.00 0.39 O ATOM 190 CB GLN A 12 3.724 -14.278 1.005 1.00 0.12 C ATOM 191 CG GLN A 12 4.254 -14.245 -0.429 1.00 0.42 C ATOM 192 CD GLN A 12 3.172 -14.761 -1.379 1.00 0.64 C ATOM 193 OE1 GLN A 12 3.437 -15.093 -2.517 1.00 1.30 O ATOM 194 NE2 GLN A 12 1.942 -14.843 -0.953 1.00 1.55 N ATOM 0 H GLN A 12 4.581 -12.213 2.147 1.00 0.12 H new ATOM 0 HA GLN A 12 2.376 -12.735 0.303 1.00 0.13 H new ATOM 0 HB2 GLN A 12 4.553 -14.280 1.712 1.00 0.12 H new ATOM 0 HB3 GLN A 12 3.158 -15.194 1.176 1.00 0.12 H new ATOM 0 HG2 GLN A 12 4.538 -13.228 -0.701 1.00 0.42 H new ATOM 0 HG3 GLN A 12 5.150 -14.860 -0.512 1.00 0.42 H new ATOM 0 HE21 GLN A 12 1.713 -14.566 0.002 1.00 1.55 H new ATOM 0 HE22 GLN A 12 1.209 -15.184 -1.574 1.00 1.55 H new ATOM 203 N GLU A 13 2.094 -13.955 3.342 1.00 0.21 N ATOM 204 CA GLU A 13 1.062 -14.370 4.345 1.00 0.26 C ATOM 205 C GLU A 13 0.124 -13.203 4.673 1.00 0.31 C ATOM 206 O GLU A 13 -0.945 -13.401 5.216 1.00 0.58 O ATOM 207 CB GLU A 13 1.756 -14.860 5.621 1.00 0.49 C ATOM 208 CG GLU A 13 2.316 -13.668 6.394 1.00 1.51 C ATOM 209 CD GLU A 13 1.324 -13.257 7.483 1.00 2.62 C ATOM 210 OE1 GLU A 13 1.313 -13.943 8.492 1.00 2.58 O ATOM 211 OE2 GLU A 13 0.633 -12.280 7.245 1.00 3.65 O ATOM 0 H GLU A 13 3.063 -14.122 3.615 1.00 0.21 H new ATOM 0 HA GLU A 13 0.466 -15.178 3.921 1.00 0.26 H new ATOM 0 HB2 GLU A 13 1.049 -15.409 6.243 1.00 0.49 H new ATOM 0 HB3 GLU A 13 2.560 -15.551 5.367 1.00 0.49 H new ATOM 0 HG2 GLU A 13 3.276 -13.928 6.840 1.00 1.51 H new ATOM 0 HG3 GLU A 13 2.496 -12.833 5.717 1.00 1.51 H new ATOM 218 N ALA A 14 0.539 -12.015 4.336 1.00 0.26 N ATOM 219 CA ALA A 14 -0.329 -10.834 4.617 1.00 0.29 C ATOM 220 C ALA A 14 -1.460 -10.768 3.587 1.00 0.21 C ATOM 221 O ALA A 14 -2.571 -10.390 3.902 1.00 0.30 O ATOM 222 CB ALA A 14 0.511 -9.561 4.539 1.00 0.38 C ATOM 0 H ALA A 14 1.430 -11.809 3.884 1.00 0.26 H new ATOM 0 HA ALA A 14 -0.759 -10.927 5.614 1.00 0.29 H new ATOM 0 HB1 ALA A 14 -0.120 -8.696 4.744 1.00 0.38 H new ATOM 0 HB2 ALA A 14 1.313 -9.608 5.276 1.00 0.38 H new ATOM 0 HB3 ALA A 14 0.940 -9.469 3.541 1.00 0.38 H new ATOM 228 N LEU A 15 -1.148 -11.137 2.375 1.00 0.17 N ATOM 229 CA LEU A 15 -2.192 -11.119 1.311 1.00 0.19 C ATOM 230 C LEU A 15 -3.086 -12.353 1.456 1.00 0.20 C ATOM 231 O LEU A 15 -4.114 -12.460 0.821 1.00 0.25 O ATOM 232 CB LEU A 15 -1.511 -11.132 -0.060 1.00 0.18 C ATOM 233 CG LEU A 15 -0.700 -9.838 -0.243 1.00 0.17 C ATOM 234 CD1 LEU A 15 0.028 -9.887 -1.586 1.00 0.23 C ATOM 235 CD2 LEU A 15 -1.635 -8.626 -0.228 1.00 0.25 C ATOM 0 H LEU A 15 -0.223 -11.448 2.077 1.00 0.17 H new ATOM 0 HA LEU A 15 -2.802 -10.221 1.406 1.00 0.19 H new ATOM 0 HB2 LEU A 15 -0.856 -11.999 -0.144 1.00 0.18 H new ATOM 0 HB3 LEU A 15 -2.259 -11.220 -0.848 1.00 0.18 H new ATOM 0 HG LEU A 15 0.019 -9.749 0.572 1.00 0.17 H new ATOM 0 HD11 LEU A 15 0.605 -8.972 -1.721 1.00 0.23 H new ATOM 0 HD12 LEU A 15 0.700 -10.745 -1.605 1.00 0.23 H new ATOM 0 HD13 LEU A 15 -0.700 -9.979 -2.392 1.00 0.23 H new ATOM 0 HD21 LEU A 15 -1.051 -7.715 -0.358 1.00 0.25 H new ATOM 0 HD22 LEU A 15 -2.357 -8.714 -1.040 1.00 0.25 H new ATOM 0 HD23 LEU A 15 -2.163 -8.586 0.725 1.00 0.25 H new ATOM 247 N ASP A 16 -2.665 -13.260 2.296 1.00 0.18 N ATOM 248 CA ASP A 16 -3.475 -14.493 2.514 1.00 0.22 C ATOM 249 C ASP A 16 -4.405 -14.293 3.710 1.00 0.22 C ATOM 250 O ASP A 16 -5.468 -14.877 3.782 1.00 0.35 O ATOM 251 CB ASP A 16 -2.541 -15.674 2.782 1.00 0.25 C ATOM 252 CG ASP A 16 -3.373 -16.941 2.998 1.00 0.68 C ATOM 253 OD1 ASP A 16 -3.973 -17.367 2.025 1.00 0.81 O ATOM 254 OD2 ASP A 16 -3.362 -17.411 4.124 1.00 1.50 O ATOM 0 H ASP A 16 -1.802 -13.202 2.837 1.00 0.18 H new ATOM 0 HA ASP A 16 -4.072 -14.696 1.625 1.00 0.22 H new ATOM 0 HB2 ASP A 16 -1.860 -15.811 1.942 1.00 0.25 H new ATOM 0 HB3 ASP A 16 -1.927 -15.474 3.660 1.00 0.25 H new ATOM 259 N ALA A 17 -3.980 -13.467 4.619 1.00 0.22 N ATOM 260 CA ALA A 17 -4.821 -13.200 5.821 1.00 0.23 C ATOM 261 C ALA A 17 -5.658 -11.938 5.591 1.00 0.31 C ATOM 262 O ALA A 17 -6.335 -11.464 6.482 1.00 0.53 O ATOM 263 CB ALA A 17 -3.910 -13.004 7.035 1.00 0.29 C ATOM 0 H ALA A 17 -3.092 -12.966 4.586 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.489 -14.043 5.999 1.00 0.23 H new ATOM 0 HB1 ALA A 17 -4.518 -12.808 7.918 1.00 0.29 H new ATOM 0 HB2 ALA A 17 -3.318 -13.905 7.195 1.00 0.29 H new ATOM 0 HB3 ALA A 17 -3.245 -12.159 6.858 1.00 0.29 H new ATOM 269 N ALA A 18 -5.587 -11.426 4.393 1.00 0.21 N ATOM 270 CA ALA A 18 -6.363 -10.196 4.066 1.00 0.27 C ATOM 271 C ALA A 18 -7.745 -10.572 3.516 1.00 0.41 C ATOM 272 O ALA A 18 -8.396 -9.776 2.868 1.00 0.32 O ATOM 273 CB ALA A 18 -5.595 -9.398 3.014 1.00 0.21 C ATOM 0 H ALA A 18 -5.027 -11.804 3.629 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.497 -9.599 4.968 1.00 0.27 H new ATOM 0 HB1 ALA A 18 -6.151 -8.494 2.765 1.00 0.21 H new ATOM 0 HB2 ALA A 18 -4.616 -9.124 3.408 1.00 0.21 H new ATOM 0 HB3 ALA A 18 -5.469 -10.005 2.118 1.00 0.21 H new ATOM 279 N GLY A 19 -8.164 -11.778 3.785 1.00 0.84 N ATOM 280 CA GLY A 19 -9.497 -12.215 3.283 1.00 1.06 C ATOM 281 C GLY A 19 -9.525 -12.186 1.754 1.00 0.98 C ATOM 282 O GLY A 19 -8.896 -12.997 1.103 1.00 1.12 O ATOM 0 H GLY A 19 -7.648 -12.473 4.325 1.00 0.84 H new ATOM 0 HA2 GLY A 19 -9.714 -13.222 3.638 1.00 1.06 H new ATOM 0 HA3 GLY A 19 -10.274 -11.562 3.680 1.00 1.06 H new ATOM 286 N ASP A 20 -10.254 -11.251 1.213 1.00 0.87 N ATOM 287 CA ASP A 20 -10.334 -11.157 -0.275 1.00 0.82 C ATOM 288 C ASP A 20 -10.581 -9.707 -0.717 1.00 0.56 C ATOM 289 O ASP A 20 -10.193 -9.318 -1.801 1.00 0.50 O ATOM 290 CB ASP A 20 -11.475 -12.041 -0.771 1.00 1.02 C ATOM 291 CG ASP A 20 -12.321 -12.487 0.424 1.00 2.17 C ATOM 292 OD1 ASP A 20 -13.121 -11.672 0.854 1.00 2.98 O ATOM 293 OD2 ASP A 20 -12.119 -13.617 0.837 1.00 2.54 O ATOM 0 H ASP A 20 -10.793 -10.554 1.727 1.00 0.87 H new ATOM 0 HA ASP A 20 -9.388 -11.491 -0.700 1.00 0.82 H new ATOM 0 HB2 ASP A 20 -12.091 -11.494 -1.484 1.00 1.02 H new ATOM 0 HB3 ASP A 20 -11.077 -12.910 -1.295 1.00 1.02 H new ATOM 298 N LYS A 21 -11.227 -8.941 0.125 1.00 0.52 N ATOM 299 CA LYS A 21 -11.499 -7.517 -0.240 1.00 0.32 C ATOM 300 C LYS A 21 -10.252 -6.885 -0.870 1.00 0.23 C ATOM 301 O LYS A 21 -9.147 -7.343 -0.657 1.00 0.38 O ATOM 302 CB LYS A 21 -11.882 -6.741 1.021 1.00 0.48 C ATOM 303 CG LYS A 21 -13.032 -7.464 1.725 1.00 0.55 C ATOM 304 CD LYS A 21 -12.570 -7.913 3.115 1.00 0.25 C ATOM 305 CE LYS A 21 -13.749 -8.549 3.855 1.00 0.45 C ATOM 306 NZ LYS A 21 -14.528 -7.510 4.586 1.00 1.64 N ATOM 0 H LYS A 21 -11.574 -9.234 1.038 1.00 0.52 H new ATOM 0 HA LYS A 21 -12.315 -7.481 -0.961 1.00 0.32 H new ATOM 0 HB2 LYS A 21 -11.024 -6.661 1.688 1.00 0.48 H new ATOM 0 HB3 LYS A 21 -12.180 -5.725 0.761 1.00 0.48 H new ATOM 0 HG2 LYS A 21 -13.894 -6.803 1.811 1.00 0.55 H new ATOM 0 HG3 LYS A 21 -13.349 -8.326 1.138 1.00 0.55 H new ATOM 0 HD2 LYS A 21 -11.752 -8.628 3.026 1.00 0.25 H new ATOM 0 HD3 LYS A 21 -12.189 -7.061 3.678 1.00 0.25 H new ATOM 0 HE2 LYS A 21 -14.396 -9.065 3.145 1.00 0.45 H new ATOM 0 HE3 LYS A 21 -13.384 -9.299 4.557 1.00 0.45 H new ATOM 0 HZ1 LYS A 21 -15.324 -7.958 5.083 1.00 1.64 H new ATOM 0 HZ2 LYS A 21 -13.912 -7.036 5.277 1.00 1.64 H new ATOM 0 HZ3 LYS A 21 -14.892 -6.809 3.909 1.00 1.64 H new ATOM 320 N LEU A 22 -10.457 -5.848 -1.633 1.00 0.29 N ATOM 321 CA LEU A 22 -9.295 -5.179 -2.288 1.00 0.40 C ATOM 322 C LEU A 22 -8.165 -4.964 -1.273 1.00 0.30 C ATOM 323 O LEU A 22 -8.412 -4.738 -0.105 1.00 0.32 O ATOM 324 CB LEU A 22 -9.751 -3.812 -2.834 1.00 0.60 C ATOM 325 CG LEU A 22 -9.733 -3.786 -4.378 1.00 1.08 C ATOM 326 CD1 LEU A 22 -8.319 -4.104 -4.894 1.00 2.13 C ATOM 327 CD2 LEU A 22 -10.755 -4.798 -4.938 1.00 2.43 C ATOM 0 H LEU A 22 -11.369 -5.437 -1.831 1.00 0.29 H new ATOM 0 HA LEU A 22 -8.928 -5.808 -3.099 1.00 0.40 H new ATOM 0 HB2 LEU A 22 -10.757 -3.594 -2.477 1.00 0.60 H new ATOM 0 HB3 LEU A 22 -9.099 -3.029 -2.448 1.00 0.60 H new ATOM 0 HG LEU A 22 -10.011 -2.789 -4.720 1.00 1.08 H new ATOM 0 HD11 LEU A 22 -8.316 -4.083 -5.984 1.00 2.13 H new ATOM 0 HD12 LEU A 22 -7.618 -3.361 -4.515 1.00 2.13 H new ATOM 0 HD13 LEU A 22 -8.020 -5.094 -4.549 1.00 2.13 H new ATOM 0 HD21 LEU A 22 -10.734 -4.771 -6.027 1.00 2.43 H new ATOM 0 HD22 LEU A 22 -10.500 -5.801 -4.595 1.00 2.43 H new ATOM 0 HD23 LEU A 22 -11.754 -4.538 -4.588 1.00 2.43 H new ATOM 339 N VAL A 23 -6.945 -5.042 -1.752 1.00 0.21 N ATOM 340 CA VAL A 23 -5.773 -4.837 -0.846 1.00 0.14 C ATOM 341 C VAL A 23 -4.839 -3.796 -1.475 1.00 0.16 C ATOM 342 O VAL A 23 -4.116 -4.094 -2.404 1.00 0.17 O ATOM 343 CB VAL A 23 -5.021 -6.178 -0.685 1.00 0.07 C ATOM 344 CG1 VAL A 23 -4.369 -6.288 0.707 1.00 0.37 C ATOM 345 CG2 VAL A 23 -6.008 -7.336 -0.850 1.00 0.24 C ATOM 0 H VAL A 23 -6.713 -5.238 -2.726 1.00 0.21 H new ATOM 0 HA VAL A 23 -6.107 -4.488 0.131 1.00 0.14 H new ATOM 0 HB VAL A 23 -4.242 -6.221 -1.446 1.00 0.07 H new ATOM 0 HG11 VAL A 23 -3.848 -7.242 0.790 1.00 0.37 H new ATOM 0 HG12 VAL A 23 -3.658 -5.473 0.841 1.00 0.37 H new ATOM 0 HG13 VAL A 23 -5.140 -6.228 1.476 1.00 0.37 H new ATOM 0 HG21 VAL A 23 -5.480 -8.283 -0.737 1.00 0.24 H new ATOM 0 HG22 VAL A 23 -6.786 -7.262 -0.091 1.00 0.24 H new ATOM 0 HG23 VAL A 23 -6.461 -7.289 -1.840 1.00 0.24 H new ATOM 355 N VAL A 24 -4.874 -2.595 -0.955 1.00 0.17 N ATOM 356 CA VAL A 24 -4.008 -1.519 -1.537 1.00 0.19 C ATOM 357 C VAL A 24 -2.733 -1.327 -0.708 1.00 0.19 C ATOM 358 O VAL A 24 -2.793 -1.118 0.487 1.00 0.26 O ATOM 359 CB VAL A 24 -4.796 -0.215 -1.561 1.00 0.22 C ATOM 360 CG1 VAL A 24 -3.918 0.883 -2.153 1.00 0.23 C ATOM 361 CG2 VAL A 24 -6.041 -0.393 -2.432 1.00 0.22 C ATOM 0 H VAL A 24 -5.454 -2.313 -0.165 1.00 0.17 H new ATOM 0 HA VAL A 24 -3.717 -1.810 -2.546 1.00 0.19 H new ATOM 0 HB VAL A 24 -5.096 0.056 -0.549 1.00 0.22 H new ATOM 0 HG11 VAL A 24 -4.473 1.821 -2.175 1.00 0.23 H new ATOM 0 HG12 VAL A 24 -3.025 1.004 -1.541 1.00 0.23 H new ATOM 0 HG13 VAL A 24 -3.628 0.610 -3.168 1.00 0.23 H new ATOM 0 HG21 VAL A 24 -6.607 0.538 -2.452 1.00 0.22 H new ATOM 0 HG22 VAL A 24 -5.741 -0.657 -3.446 1.00 0.22 H new ATOM 0 HG23 VAL A 24 -6.663 -1.187 -2.020 1.00 0.22 H new ATOM 371 N VAL A 25 -1.603 -1.378 -1.373 1.00 0.21 N ATOM 372 CA VAL A 25 -0.305 -1.206 -0.646 1.00 0.20 C ATOM 373 C VAL A 25 0.240 0.205 -0.841 1.00 0.22 C ATOM 374 O VAL A 25 -0.039 0.852 -1.831 1.00 0.29 O ATOM 375 CB VAL A 25 0.717 -2.206 -1.182 1.00 0.18 C ATOM 376 CG1 VAL A 25 2.044 -2.002 -0.447 1.00 0.16 C ATOM 377 CG2 VAL A 25 0.225 -3.626 -0.932 1.00 0.16 C ATOM 0 H VAL A 25 -1.523 -1.530 -2.378 1.00 0.21 H new ATOM 0 HA VAL A 25 -0.481 -1.377 0.416 1.00 0.20 H new ATOM 0 HB VAL A 25 0.852 -2.051 -2.253 1.00 0.18 H new ATOM 0 HG11 VAL A 25 2.781 -2.712 -0.823 1.00 0.16 H new ATOM 0 HG12 VAL A 25 2.400 -0.986 -0.615 1.00 0.16 H new ATOM 0 HG13 VAL A 25 1.897 -2.163 0.621 1.00 0.16 H new ATOM 0 HG21 VAL A 25 0.956 -4.337 -1.316 1.00 0.16 H new ATOM 0 HG22 VAL A 25 0.094 -3.782 0.139 1.00 0.16 H new ATOM 0 HG23 VAL A 25 -0.728 -3.776 -1.440 1.00 0.16 H new ATOM 387 N ASP A 26 1.013 0.644 0.118 1.00 0.19 N ATOM 388 CA ASP A 26 1.618 2.006 0.028 1.00 0.19 C ATOM 389 C ASP A 26 3.138 1.895 0.149 1.00 0.16 C ATOM 390 O ASP A 26 3.684 1.912 1.236 1.00 0.20 O ATOM 391 CB ASP A 26 1.082 2.866 1.166 1.00 0.23 C ATOM 392 CG ASP A 26 1.784 4.227 1.149 1.00 0.20 C ATOM 393 OD1 ASP A 26 1.772 4.828 0.087 1.00 1.24 O ATOM 394 OD2 ASP A 26 2.292 4.587 2.198 1.00 1.16 O ATOM 0 H ASP A 26 1.251 0.119 0.959 1.00 0.19 H new ATOM 0 HA ASP A 26 1.362 2.460 -0.929 1.00 0.19 H new ATOM 0 HB2 ASP A 26 0.005 2.998 1.060 1.00 0.23 H new ATOM 0 HB3 ASP A 26 1.250 2.370 2.122 1.00 0.23 H new ATOM 399 N PHE A 27 3.784 1.773 -0.969 1.00 0.11 N ATOM 400 CA PHE A 27 5.267 1.655 -0.952 1.00 0.10 C ATOM 401 C PHE A 27 5.903 3.031 -0.748 1.00 0.13 C ATOM 402 O PHE A 27 5.979 3.826 -1.664 1.00 0.20 O ATOM 403 CB PHE A 27 5.712 1.064 -2.278 1.00 0.07 C ATOM 404 CG PHE A 27 5.352 -0.422 -2.300 1.00 0.09 C ATOM 405 CD1 PHE A 27 6.223 -1.358 -1.771 1.00 0.10 C ATOM 406 CD2 PHE A 27 4.151 -0.855 -2.846 1.00 0.11 C ATOM 407 CE1 PHE A 27 5.906 -2.700 -1.793 1.00 0.12 C ATOM 408 CE2 PHE A 27 3.843 -2.199 -2.860 1.00 0.13 C ATOM 409 CZ PHE A 27 4.720 -3.117 -2.335 1.00 0.13 C ATOM 0 H PHE A 27 3.354 1.750 -1.894 1.00 0.11 H new ATOM 0 HA PHE A 27 5.582 1.011 -0.131 1.00 0.10 H new ATOM 0 HB2 PHE A 27 5.226 1.582 -3.104 1.00 0.07 H new ATOM 0 HB3 PHE A 27 6.786 1.194 -2.408 1.00 0.07 H new ATOM 0 HD1 PHE A 27 7.158 -1.035 -1.338 1.00 0.10 H new ATOM 0 HD2 PHE A 27 3.457 -0.138 -3.260 1.00 0.11 H new ATOM 0 HE1 PHE A 27 6.595 -3.423 -1.382 1.00 0.12 H new ATOM 0 HE2 PHE A 27 2.908 -2.532 -3.286 1.00 0.13 H new ATOM 0 HZ PHE A 27 4.474 -4.168 -2.350 1.00 0.13 H new ATOM 419 N SER A 28 6.346 3.283 0.455 1.00 0.11 N ATOM 420 CA SER A 28 6.972 4.608 0.738 1.00 0.13 C ATOM 421 C SER A 28 7.942 4.501 1.918 1.00 0.26 C ATOM 422 O SER A 28 8.214 3.421 2.405 1.00 0.28 O ATOM 423 CB SER A 28 5.876 5.616 1.075 1.00 0.12 C ATOM 424 OG SER A 28 5.662 5.443 2.468 1.00 0.93 O ATOM 0 H SER A 28 6.303 2.639 1.245 1.00 0.11 H new ATOM 0 HA SER A 28 7.525 4.935 -0.142 1.00 0.13 H new ATOM 0 HB2 SER A 28 6.187 6.635 0.843 1.00 0.12 H new ATOM 0 HB3 SER A 28 4.967 5.422 0.505 1.00 0.12 H new ATOM 0 HG SER A 28 4.965 6.062 2.771 1.00 0.93 H new ATOM 430 N ALA A 29 8.439 5.631 2.350 1.00 0.35 N ATOM 431 CA ALA A 29 9.395 5.628 3.499 1.00 0.49 C ATOM 432 C ALA A 29 8.686 6.083 4.779 1.00 0.58 C ATOM 433 O ALA A 29 8.010 7.092 4.791 1.00 0.56 O ATOM 434 CB ALA A 29 10.548 6.581 3.191 1.00 0.58 C ATOM 0 H ALA A 29 8.227 6.550 1.961 1.00 0.35 H new ATOM 0 HA ALA A 29 9.775 4.617 3.647 1.00 0.49 H new ATOM 0 HB1 ALA A 29 11.250 6.584 4.025 1.00 0.58 H new ATOM 0 HB2 ALA A 29 11.060 6.252 2.287 1.00 0.58 H new ATOM 0 HB3 ALA A 29 10.158 7.588 3.041 1.00 0.58 H new ATOM 440 N THR A 30 8.858 5.325 5.829 1.00 0.68 N ATOM 441 CA THR A 30 8.202 5.695 7.119 1.00 0.80 C ATOM 442 C THR A 30 9.197 6.420 8.029 1.00 0.94 C ATOM 443 O THR A 30 8.837 6.929 9.070 1.00 1.25 O ATOM 444 CB THR A 30 7.708 4.424 7.813 1.00 1.06 C ATOM 445 OG1 THR A 30 6.724 4.875 8.736 1.00 1.33 O ATOM 446 CG2 THR A 30 8.804 3.793 8.667 1.00 1.35 C ATOM 0 H THR A 30 9.419 4.473 5.851 1.00 0.68 H new ATOM 0 HA THR A 30 7.361 6.359 6.917 1.00 0.80 H new ATOM 0 HB THR A 30 7.365 3.703 7.071 1.00 1.06 H new ATOM 0 HG1 THR A 30 6.980 5.755 9.083 1.00 1.33 H new ATOM 0 HG21 THR A 30 8.419 2.892 9.146 1.00 1.35 H new ATOM 0 HG22 THR A 30 9.653 3.534 8.035 1.00 1.35 H new ATOM 0 HG23 THR A 30 9.123 4.502 9.431 1.00 1.35 H new ATOM 454 N TRP A 31 10.428 6.446 7.611 1.00 0.83 N ATOM 455 CA TRP A 31 11.472 7.128 8.428 1.00 0.97 C ATOM 456 C TRP A 31 11.727 8.536 7.881 1.00 0.78 C ATOM 457 O TRP A 31 11.813 9.491 8.626 1.00 0.79 O ATOM 458 CB TRP A 31 12.755 6.318 8.339 1.00 1.21 C ATOM 459 CG TRP A 31 13.085 6.102 6.863 1.00 1.10 C ATOM 460 CD1 TRP A 31 12.634 5.082 6.146 1.00 1.02 C ATOM 461 CD2 TRP A 31 13.824 6.911 6.123 1.00 1.11 C ATOM 462 NE1 TRP A 31 13.138 5.306 4.924 1.00 0.96 N ATOM 463 CE2 TRP A 31 13.902 6.443 4.825 1.00 1.05 C ATOM 464 CE3 TRP A 31 14.472 8.089 6.462 1.00 1.21 C ATOM 465 CZ2 TRP A 31 14.616 7.140 3.877 1.00 1.14 C ATOM 466 CZ3 TRP A 31 15.188 8.783 5.508 1.00 1.30 C ATOM 467 CH2 TRP A 31 15.261 8.309 4.218 1.00 1.29 C ATOM 0 H TRP A 31 10.759 6.027 6.742 1.00 0.83 H new ATOM 0 HA TRP A 31 11.139 7.205 9.463 1.00 0.97 H new ATOM 0 HB2 TRP A 31 13.570 6.842 8.837 1.00 1.21 H new ATOM 0 HB3 TRP A 31 12.635 5.360 8.845 1.00 1.21 H new ATOM 0 HD1 TRP A 31 12.008 4.264 6.470 1.00 1.02 H new ATOM 0 HE1 TRP A 31 12.968 4.684 4.134 1.00 0.96 H new ATOM 0 HE3 TRP A 31 14.416 8.464 7.473 1.00 1.21 H new ATOM 0 HZ2 TRP A 31 14.671 6.770 2.864 1.00 1.14 H new ATOM 0 HZ3 TRP A 31 15.692 9.700 5.774 1.00 1.30 H new ATOM 0 HH2 TRP A 31 15.823 8.853 3.473 1.00 1.29 H new ATOM 478 N CYS A 32 11.845 8.628 6.584 1.00 0.67 N ATOM 479 CA CYS A 32 12.101 9.958 5.960 1.00 0.67 C ATOM 480 C CYS A 32 11.087 10.985 6.474 1.00 0.55 C ATOM 481 O CYS A 32 10.195 10.653 7.231 1.00 0.59 O ATOM 482 CB CYS A 32 11.979 9.830 4.444 1.00 0.65 C ATOM 483 SG CYS A 32 12.495 11.246 3.444 1.00 1.13 S ATOM 0 H CYS A 32 11.776 7.846 5.933 1.00 0.67 H new ATOM 0 HA CYS A 32 13.104 10.293 6.223 1.00 0.67 H new ATOM 0 HB2 CYS A 32 12.565 8.966 4.131 1.00 0.65 H new ATOM 0 HB3 CYS A 32 10.938 9.612 4.207 1.00 0.65 H new ATOM 0 HG CYS A 32 12.653 10.871 2.209 1.00 1.13 H new ATOM 489 N GLY A 33 11.247 12.210 6.051 1.00 0.49 N ATOM 490 CA GLY A 33 10.303 13.278 6.507 1.00 0.47 C ATOM 491 C GLY A 33 9.222 13.562 5.445 1.00 0.50 C ATOM 492 O GLY A 33 8.067 13.230 5.629 1.00 0.48 O ATOM 0 H GLY A 33 11.983 12.518 5.415 1.00 0.49 H new ATOM 0 HA2 GLY A 33 9.828 12.973 7.439 1.00 0.47 H new ATOM 0 HA3 GLY A 33 10.859 14.192 6.717 1.00 0.47 H new ATOM 496 N PRO A 34 9.628 14.171 4.349 1.00 0.57 N ATOM 497 CA PRO A 34 8.700 14.513 3.258 1.00 0.63 C ATOM 498 C PRO A 34 7.837 13.309 2.852 1.00 0.54 C ATOM 499 O PRO A 34 6.706 13.469 2.437 1.00 0.55 O ATOM 500 CB PRO A 34 9.598 14.952 2.097 1.00 0.73 C ATOM 501 CG PRO A 34 11.052 15.059 2.651 1.00 0.76 C ATOM 502 CD PRO A 34 11.031 14.540 4.103 1.00 0.65 C ATOM 0 HA PRO A 34 8.000 15.293 3.559 1.00 0.63 H new ATOM 0 HB2 PRO A 34 9.550 14.232 1.280 1.00 0.73 H new ATOM 0 HB3 PRO A 34 9.268 15.910 1.697 1.00 0.73 H new ATOM 0 HG2 PRO A 34 11.739 14.470 2.043 1.00 0.76 H new ATOM 0 HG3 PRO A 34 11.401 16.091 2.617 1.00 0.76 H new ATOM 0 HD2 PRO A 34 11.693 13.683 4.227 1.00 0.65 H new ATOM 0 HD3 PRO A 34 11.367 15.306 4.802 1.00 0.65 H new ATOM 510 N CYS A 35 8.385 12.132 2.975 1.00 0.48 N ATOM 511 CA CYS A 35 7.595 10.920 2.598 1.00 0.42 C ATOM 512 C CYS A 35 6.501 10.661 3.637 1.00 0.42 C ATOM 513 O CYS A 35 5.411 10.245 3.301 1.00 0.41 O ATOM 514 CB CYS A 35 8.524 9.712 2.527 1.00 0.38 C ATOM 515 SG CYS A 35 10.108 9.931 1.678 1.00 0.78 S ATOM 0 H CYS A 35 9.330 11.955 3.314 1.00 0.48 H new ATOM 0 HA CYS A 35 7.130 11.085 1.626 1.00 0.42 H new ATOM 0 HB2 CYS A 35 8.730 9.385 3.546 1.00 0.38 H new ATOM 0 HB3 CYS A 35 7.987 8.902 2.034 1.00 0.38 H new ATOM 0 HG CYS A 35 10.884 10.687 2.396 1.00 0.78 H new ATOM 521 N LYS A 36 6.814 10.914 4.879 1.00 0.44 N ATOM 522 CA LYS A 36 5.801 10.690 5.943 1.00 0.48 C ATOM 523 C LYS A 36 4.952 11.953 6.133 1.00 0.57 C ATOM 524 O LYS A 36 4.229 12.078 7.100 1.00 0.88 O ATOM 525 CB LYS A 36 6.503 10.319 7.251 1.00 0.44 C ATOM 526 CG LYS A 36 5.438 10.043 8.333 1.00 0.64 C ATOM 527 CD LYS A 36 5.927 8.945 9.290 1.00 0.22 C ATOM 528 CE LYS A 36 5.376 9.223 10.691 1.00 1.36 C ATOM 529 NZ LYS A 36 3.914 9.500 10.632 1.00 2.68 N ATOM 0 H LYS A 36 7.718 11.262 5.198 1.00 0.44 H new ATOM 0 HA LYS A 36 5.144 9.871 5.649 1.00 0.48 H new ATOM 0 HB2 LYS A 36 7.129 9.438 7.106 1.00 0.44 H new ATOM 0 HB3 LYS A 36 7.161 11.128 7.568 1.00 0.44 H new ATOM 0 HG2 LYS A 36 5.231 10.956 8.891 1.00 0.64 H new ATOM 0 HG3 LYS A 36 4.503 9.737 7.864 1.00 0.64 H new ATOM 0 HD2 LYS A 36 5.595 7.967 8.942 1.00 0.22 H new ATOM 0 HD3 LYS A 36 7.017 8.922 9.312 1.00 0.22 H new ATOM 0 HE2 LYS A 36 5.564 8.366 11.338 1.00 1.36 H new ATOM 0 HE3 LYS A 36 5.896 10.074 11.130 1.00 1.36 H new ATOM 0 HZ1 LYS A 36 3.480 9.271 11.549 1.00 2.68 H new ATOM 0 HZ2 LYS A 36 3.760 10.506 10.417 1.00 2.68 H new ATOM 0 HZ3 LYS A 36 3.480 8.917 9.888 1.00 2.68 H new ATOM 543 N MET A 37 5.080 12.873 5.212 1.00 0.39 N ATOM 544 CA MET A 37 4.280 14.134 5.310 1.00 0.53 C ATOM 545 C MET A 37 2.897 13.928 4.671 1.00 0.58 C ATOM 546 O MET A 37 1.902 14.415 5.172 1.00 0.47 O ATOM 547 CB MET A 37 5.020 15.252 4.577 1.00 0.57 C ATOM 548 CG MET A 37 4.168 16.523 4.608 1.00 0.89 C ATOM 549 SD MET A 37 5.021 18.088 4.925 1.00 1.34 S ATOM 550 CE MET A 37 6.088 18.067 3.463 1.00 2.86 C ATOM 0 H MET A 37 5.697 12.809 4.403 1.00 0.39 H new ATOM 0 HA MET A 37 4.150 14.401 6.359 1.00 0.53 H new ATOM 0 HB2 MET A 37 5.986 15.435 5.048 1.00 0.57 H new ATOM 0 HB3 MET A 37 5.219 14.958 3.546 1.00 0.57 H new ATOM 0 HG2 MET A 37 3.653 16.607 3.651 1.00 0.89 H new ATOM 0 HG3 MET A 37 3.401 16.396 5.372 1.00 0.89 H new ATOM 0 HE1 MET A 37 6.499 19.063 3.298 1.00 2.86 H new ATOM 0 HE2 MET A 37 6.903 17.360 3.617 1.00 2.86 H new ATOM 0 HE3 MET A 37 5.506 17.766 2.592 1.00 2.86 H new ATOM 560 N ILE A 38 2.872 13.214 3.573 1.00 0.79 N ATOM 561 CA ILE A 38 1.569 12.946 2.878 1.00 0.87 C ATOM 562 C ILE A 38 1.114 11.512 3.196 1.00 1.02 C ATOM 563 O ILE A 38 0.135 11.023 2.683 1.00 1.08 O ATOM 564 CB ILE A 38 1.772 13.161 1.365 1.00 1.35 C ATOM 565 CG1 ILE A 38 1.658 14.671 1.085 1.00 1.61 C ATOM 566 CG2 ILE A 38 0.695 12.414 0.562 1.00 1.25 C ATOM 567 CD1 ILE A 38 2.025 14.971 -0.372 1.00 1.61 C ATOM 0 H ILE A 38 3.693 12.805 3.127 1.00 0.79 H new ATOM 0 HA ILE A 38 0.790 13.626 3.223 1.00 0.87 H new ATOM 0 HB ILE A 38 2.748 12.779 1.066 1.00 1.35 H new ATOM 0 HG12 ILE A 38 0.642 15.010 1.288 1.00 1.61 H new ATOM 0 HG13 ILE A 38 2.318 15.223 1.754 1.00 1.61 H new ATOM 0 HG21 ILE A 38 0.856 12.579 -0.503 1.00 1.25 H new ATOM 0 HG22 ILE A 38 0.755 11.347 0.778 1.00 1.25 H new ATOM 0 HG23 ILE A 38 -0.291 12.786 0.842 1.00 1.25 H new ATOM 0 HD11 ILE A 38 1.940 16.042 -0.556 1.00 1.61 H new ATOM 0 HD12 ILE A 38 3.049 14.650 -0.563 1.00 1.61 H new ATOM 0 HD13 ILE A 38 1.347 14.434 -1.036 1.00 1.61 H new ATOM 579 N LYS A 39 1.836 10.882 4.074 1.00 1.21 N ATOM 580 CA LYS A 39 1.461 9.504 4.468 1.00 1.57 C ATOM 581 C LYS A 39 0.280 9.496 5.489 1.00 1.39 C ATOM 582 O LYS A 39 -0.520 8.583 5.473 1.00 1.41 O ATOM 583 CB LYS A 39 2.684 8.802 5.058 1.00 2.16 C ATOM 584 CG LYS A 39 2.389 7.317 5.266 1.00 2.12 C ATOM 585 CD LYS A 39 3.486 6.734 6.160 1.00 2.45 C ATOM 586 CE LYS A 39 3.431 5.203 6.127 1.00 2.90 C ATOM 587 NZ LYS A 39 4.685 4.634 6.694 1.00 3.41 N ATOM 0 H LYS A 39 2.665 11.260 4.533 1.00 1.21 H new ATOM 0 HA LYS A 39 1.121 8.970 3.581 1.00 1.57 H new ATOM 0 HB2 LYS A 39 3.538 8.921 4.391 1.00 2.16 H new ATOM 0 HB3 LYS A 39 2.955 9.263 6.008 1.00 2.16 H new ATOM 0 HG2 LYS A 39 1.411 7.185 5.729 1.00 2.12 H new ATOM 0 HG3 LYS A 39 2.362 6.797 4.309 1.00 2.12 H new ATOM 0 HD2 LYS A 39 4.463 7.078 5.822 1.00 2.45 H new ATOM 0 HD3 LYS A 39 3.360 7.089 7.183 1.00 2.45 H new ATOM 0 HE2 LYS A 39 2.572 4.850 6.697 1.00 2.90 H new ATOM 0 HE3 LYS A 39 3.297 4.858 5.102 1.00 2.90 H new ATOM 0 HZ1 LYS A 39 5.193 4.108 5.954 1.00 3.41 H new ATOM 0 HZ2 LYS A 39 5.287 5.405 7.047 1.00 3.41 H new ATOM 0 HZ3 LYS A 39 4.451 3.991 7.477 1.00 3.41 H new ATOM 601 N PRO A 40 0.180 10.509 6.370 1.00 1.33 N ATOM 602 CA PRO A 40 -0.918 10.542 7.340 1.00 1.48 C ATOM 603 C PRO A 40 -2.250 10.636 6.598 1.00 1.18 C ATOM 604 O PRO A 40 -3.308 10.545 7.186 1.00 1.43 O ATOM 605 CB PRO A 40 -0.672 11.788 8.200 1.00 1.61 C ATOM 606 CG PRO A 40 0.691 12.384 7.755 1.00 1.43 C ATOM 607 CD PRO A 40 1.109 11.651 6.471 1.00 1.26 C ATOM 0 HA PRO A 40 -0.958 9.645 7.958 1.00 1.48 H new ATOM 0 HB2 PRO A 40 -1.473 12.514 8.065 1.00 1.61 H new ATOM 0 HB3 PRO A 40 -0.652 11.528 9.258 1.00 1.61 H new ATOM 0 HG2 PRO A 40 0.602 13.455 7.575 1.00 1.43 H new ATOM 0 HG3 PRO A 40 1.441 12.253 8.535 1.00 1.43 H new ATOM 0 HD2 PRO A 40 1.031 12.302 5.600 1.00 1.26 H new ATOM 0 HD3 PRO A 40 2.144 11.315 6.526 1.00 1.26 H new ATOM 615 N PHE A 41 -2.155 10.817 5.308 1.00 0.79 N ATOM 616 CA PHE A 41 -3.386 10.902 4.478 1.00 0.58 C ATOM 617 C PHE A 41 -3.824 9.484 4.092 1.00 0.43 C ATOM 618 O PHE A 41 -4.999 9.175 4.072 1.00 0.45 O ATOM 619 CB PHE A 41 -3.075 11.725 3.223 1.00 0.39 C ATOM 620 CG PHE A 41 -3.000 13.203 3.600 1.00 0.54 C ATOM 621 CD1 PHE A 41 -1.891 13.705 4.261 1.00 0.60 C ATOM 622 CD2 PHE A 41 -4.039 14.060 3.287 1.00 0.67 C ATOM 623 CE1 PHE A 41 -1.826 15.041 4.600 1.00 0.75 C ATOM 624 CE2 PHE A 41 -3.972 15.396 3.627 1.00 0.82 C ATOM 625 CZ PHE A 41 -2.865 15.885 4.284 1.00 0.85 C ATOM 0 H PHE A 41 -1.278 10.909 4.796 1.00 0.79 H new ATOM 0 HA PHE A 41 -4.192 11.383 5.032 1.00 0.58 H new ATOM 0 HB2 PHE A 41 -2.131 11.400 2.785 1.00 0.39 H new ATOM 0 HB3 PHE A 41 -3.847 11.568 2.470 1.00 0.39 H new ATOM 0 HD1 PHE A 41 -1.072 13.047 4.512 1.00 0.60 H new ATOM 0 HD2 PHE A 41 -4.910 13.681 2.773 1.00 0.67 H new ATOM 0 HE1 PHE A 41 -0.957 15.425 5.115 1.00 0.75 H new ATOM 0 HE2 PHE A 41 -4.788 16.058 3.378 1.00 0.82 H new ATOM 0 HZ PHE A 41 -2.813 16.930 4.551 1.00 0.85 H new ATOM 635 N PHE A 42 -2.858 8.654 3.794 1.00 0.33 N ATOM 636 CA PHE A 42 -3.176 7.241 3.429 1.00 0.20 C ATOM 637 C PHE A 42 -3.292 6.398 4.703 1.00 0.26 C ATOM 638 O PHE A 42 -3.870 5.330 4.701 1.00 0.32 O ATOM 639 CB PHE A 42 -2.047 6.684 2.557 1.00 0.18 C ATOM 640 CG PHE A 42 -2.212 5.165 2.400 1.00 0.09 C ATOM 641 CD1 PHE A 42 -3.098 4.652 1.467 1.00 0.07 C ATOM 642 CD2 PHE A 42 -1.477 4.281 3.184 1.00 0.04 C ATOM 643 CE1 PHE A 42 -3.246 3.288 1.322 1.00 0.05 C ATOM 644 CE2 PHE A 42 -1.632 2.920 3.035 1.00 0.05 C ATOM 645 CZ PHE A 42 -2.513 2.425 2.105 1.00 0.08 C ATOM 0 H PHE A 42 -1.866 8.892 3.787 1.00 0.33 H new ATOM 0 HA PHE A 42 -4.119 7.206 2.883 1.00 0.20 H new ATOM 0 HB2 PHE A 42 -2.061 7.164 1.578 1.00 0.18 H new ATOM 0 HB3 PHE A 42 -1.081 6.909 3.009 1.00 0.18 H new ATOM 0 HD1 PHE A 42 -3.676 5.324 0.850 1.00 0.07 H new ATOM 0 HD2 PHE A 42 -0.780 4.664 3.915 1.00 0.04 H new ATOM 0 HE1 PHE A 42 -3.939 2.896 0.592 1.00 0.05 H new ATOM 0 HE2 PHE A 42 -1.060 2.242 3.650 1.00 0.05 H new ATOM 0 HZ PHE A 42 -2.631 1.358 1.988 1.00 0.08 H new ATOM 655 N HIS A 43 -2.733 6.911 5.765 1.00 0.24 N ATOM 656 CA HIS A 43 -2.769 6.167 7.057 1.00 0.30 C ATOM 657 C HIS A 43 -4.080 6.461 7.809 1.00 0.32 C ATOM 658 O HIS A 43 -4.395 5.810 8.786 1.00 0.42 O ATOM 659 CB HIS A 43 -1.582 6.625 7.903 1.00 0.34 C ATOM 660 CG HIS A 43 -1.323 5.626 9.025 1.00 0.42 C ATOM 661 ND1 HIS A 43 -2.136 4.756 9.411 1.00 0.44 N ATOM 662 CD2 HIS A 43 -0.197 5.457 9.812 1.00 0.50 C ATOM 663 CE1 HIS A 43 -1.651 4.058 10.354 1.00 0.52 C ATOM 664 NE2 HIS A 43 -0.413 4.433 10.679 1.00 0.56 N ATOM 0 H HIS A 43 -2.254 7.811 5.794 1.00 0.24 H new ATOM 0 HA HIS A 43 -2.714 5.095 6.867 1.00 0.30 H new ATOM 0 HB2 HIS A 43 -0.694 6.720 7.277 1.00 0.34 H new ATOM 0 HB3 HIS A 43 -1.783 7.611 8.322 1.00 0.34 H new ATOM 0 HD1 HIS A 43 -3.068 4.625 9.018 1.00 0.44 H new ATOM 0 HD2 HIS A 43 0.707 6.044 9.747 1.00 0.50 H new ATOM 0 HE1 HIS A 43 -2.181 3.251 10.838 1.00 0.52 H new ATOM 672 N SER A 44 -4.813 7.435 7.335 1.00 0.25 N ATOM 673 CA SER A 44 -6.098 7.787 8.019 1.00 0.29 C ATOM 674 C SER A 44 -7.239 6.902 7.511 1.00 0.32 C ATOM 675 O SER A 44 -8.217 6.690 8.199 1.00 0.55 O ATOM 676 CB SER A 44 -6.428 9.253 7.739 1.00 0.26 C ATOM 677 OG SER A 44 -7.308 9.207 6.626 1.00 1.25 O ATOM 0 H SER A 44 -4.584 7.997 6.515 1.00 0.25 H new ATOM 0 HA SER A 44 -5.984 7.626 9.091 1.00 0.29 H new ATOM 0 HB2 SER A 44 -6.900 9.726 8.600 1.00 0.26 H new ATOM 0 HB3 SER A 44 -5.529 9.827 7.512 1.00 0.26 H new ATOM 0 HG SER A 44 -7.572 10.118 6.380 1.00 1.25 H new ATOM 683 N LEU A 45 -7.087 6.408 6.322 1.00 0.14 N ATOM 684 CA LEU A 45 -8.150 5.530 5.751 1.00 0.14 C ATOM 685 C LEU A 45 -8.223 4.222 6.540 1.00 0.24 C ATOM 686 O LEU A 45 -9.092 3.401 6.319 1.00 0.30 O ATOM 687 CB LEU A 45 -7.812 5.223 4.296 1.00 0.12 C ATOM 688 CG LEU A 45 -7.456 6.525 3.577 1.00 0.19 C ATOM 689 CD1 LEU A 45 -7.173 6.225 2.104 1.00 0.30 C ATOM 690 CD2 LEU A 45 -8.638 7.492 3.674 1.00 0.44 C ATOM 0 H LEU A 45 -6.280 6.569 5.719 1.00 0.14 H new ATOM 0 HA LEU A 45 -9.112 6.038 5.811 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -6.977 4.525 4.244 1.00 0.12 H new ATOM 0 HB3 LEU A 45 -8.660 4.743 3.807 1.00 0.12 H new ATOM 0 HG LEU A 45 -6.575 6.971 4.038 1.00 0.19 H new ATOM 0 HD11 LEU A 45 -6.919 7.150 1.587 1.00 0.30 H new ATOM 0 HD12 LEU A 45 -6.340 5.526 2.029 1.00 0.30 H new ATOM 0 HD13 LEU A 45 -8.059 5.785 1.646 1.00 0.30 H new ATOM 0 HD21 LEU A 45 -8.390 8.422 3.163 1.00 0.44 H new ATOM 0 HD22 LEU A 45 -9.514 7.044 3.206 1.00 0.44 H new ATOM 0 HD23 LEU A 45 -8.853 7.700 4.722 1.00 0.44 H new ATOM 702 N SER A 46 -7.301 4.061 7.443 1.00 0.30 N ATOM 703 CA SER A 46 -7.274 2.817 8.263 1.00 0.45 C ATOM 704 C SER A 46 -8.556 2.675 9.098 1.00 0.54 C ATOM 705 O SER A 46 -8.984 1.574 9.387 1.00 0.66 O ATOM 706 CB SER A 46 -6.072 2.874 9.197 1.00 0.58 C ATOM 707 OG SER A 46 -5.547 1.558 9.161 1.00 1.54 O ATOM 0 H SER A 46 -6.564 4.735 7.651 1.00 0.30 H new ATOM 0 HA SER A 46 -7.204 1.958 7.595 1.00 0.45 H new ATOM 0 HB2 SER A 46 -5.338 3.606 8.859 1.00 0.58 H new ATOM 0 HB3 SER A 46 -6.365 3.159 10.207 1.00 0.58 H new ATOM 0 HG SER A 46 -5.604 1.208 8.248 1.00 1.54 H new ATOM 713 N GLU A 47 -9.141 3.790 9.463 1.00 0.51 N ATOM 714 CA GLU A 47 -10.388 3.733 10.297 1.00 0.67 C ATOM 715 C GLU A 47 -11.623 4.120 9.472 1.00 0.65 C ATOM 716 O GLU A 47 -12.741 3.866 9.877 1.00 0.87 O ATOM 717 CB GLU A 47 -10.244 4.704 11.468 1.00 0.92 C ATOM 718 CG GLU A 47 -8.997 4.338 12.273 1.00 1.10 C ATOM 719 CD GLU A 47 -9.241 4.651 13.751 1.00 1.27 C ATOM 720 OE1 GLU A 47 -9.559 5.799 14.014 1.00 1.32 O ATOM 721 OE2 GLU A 47 -9.098 3.725 14.531 1.00 1.94 O ATOM 0 H GLU A 47 -8.816 4.727 9.225 1.00 0.51 H new ATOM 0 HA GLU A 47 -10.520 2.713 10.657 1.00 0.67 H new ATOM 0 HB2 GLU A 47 -10.167 5.727 11.100 1.00 0.92 H new ATOM 0 HB3 GLU A 47 -11.128 4.660 12.104 1.00 0.92 H new ATOM 0 HG2 GLU A 47 -8.766 3.280 12.147 1.00 1.10 H new ATOM 0 HG3 GLU A 47 -8.136 4.898 11.908 1.00 1.10 H new ATOM 728 N LYS A 48 -11.402 4.723 8.339 1.00 0.62 N ATOM 729 CA LYS A 48 -12.564 5.137 7.496 1.00 0.59 C ATOM 730 C LYS A 48 -13.051 3.969 6.628 1.00 0.41 C ATOM 731 O LYS A 48 -14.160 3.498 6.788 1.00 0.46 O ATOM 732 CB LYS A 48 -12.144 6.298 6.601 1.00 0.58 C ATOM 733 CG LYS A 48 -13.321 7.268 6.443 1.00 0.86 C ATOM 734 CD LYS A 48 -13.326 8.258 7.612 1.00 1.83 C ATOM 735 CE LYS A 48 -14.707 8.912 7.712 1.00 2.39 C ATOM 736 NZ LYS A 48 -15.697 7.958 8.286 1.00 3.58 N ATOM 0 H LYS A 48 -10.481 4.946 7.961 1.00 0.62 H new ATOM 0 HA LYS A 48 -13.381 5.444 8.149 1.00 0.59 H new ATOM 0 HB2 LYS A 48 -11.288 6.815 7.034 1.00 0.58 H new ATOM 0 HB3 LYS A 48 -11.831 5.926 5.625 1.00 0.58 H new ATOM 0 HG2 LYS A 48 -13.239 7.805 5.498 1.00 0.86 H new ATOM 0 HG3 LYS A 48 -14.260 6.716 6.416 1.00 0.86 H new ATOM 0 HD2 LYS A 48 -13.086 7.742 8.542 1.00 1.83 H new ATOM 0 HD3 LYS A 48 -12.560 9.019 7.463 1.00 1.83 H new ATOM 0 HE2 LYS A 48 -14.649 9.804 8.336 1.00 2.39 H new ATOM 0 HE3 LYS A 48 -15.035 9.235 6.724 1.00 2.39 H new ATOM 0 HZ1 LYS A 48 -16.512 8.486 8.659 1.00 3.58 H new ATOM 0 HZ2 LYS A 48 -16.019 7.304 7.544 1.00 3.58 H new ATOM 0 HZ3 LYS A 48 -15.253 7.418 9.055 1.00 3.58 H new ATOM 750 N TYR A 49 -12.215 3.527 5.730 1.00 0.22 N ATOM 751 CA TYR A 49 -12.625 2.395 4.844 1.00 0.08 C ATOM 752 C TYR A 49 -12.484 1.058 5.579 1.00 0.16 C ATOM 753 O TYR A 49 -11.391 0.562 5.767 1.00 0.14 O ATOM 754 CB TYR A 49 -11.739 2.388 3.599 1.00 0.14 C ATOM 755 CG TYR A 49 -12.353 3.305 2.539 1.00 0.18 C ATOM 756 CD1 TYR A 49 -13.293 2.822 1.652 1.00 0.28 C ATOM 757 CD2 TYR A 49 -11.971 4.629 2.454 1.00 0.26 C ATOM 758 CE1 TYR A 49 -13.845 3.649 0.696 1.00 0.31 C ATOM 759 CE2 TYR A 49 -12.523 5.456 1.496 1.00 0.29 C ATOM 760 CZ TYR A 49 -13.465 4.973 0.610 1.00 0.26 C ATOM 761 OH TYR A 49 -14.017 5.801 -0.346 1.00 0.30 O ATOM 0 H TYR A 49 -11.277 3.893 5.570 1.00 0.22 H new ATOM 0 HA TYR A 49 -13.669 2.527 4.560 1.00 0.08 H new ATOM 0 HB2 TYR A 49 -10.734 2.726 3.851 1.00 0.14 H new ATOM 0 HB3 TYR A 49 -11.646 1.374 3.210 1.00 0.14 H new ATOM 0 HD1 TYR A 49 -13.599 1.788 1.707 1.00 0.28 H new ATOM 0 HD2 TYR A 49 -11.236 5.020 3.141 1.00 0.26 H new ATOM 0 HE1 TYR A 49 -14.581 3.257 0.009 1.00 0.31 H new ATOM 0 HE2 TYR A 49 -12.215 6.490 1.439 1.00 0.29 H new ATOM 0 HH TYR A 49 -13.647 6.703 -0.250 1.00 0.30 H new ATOM 771 N SER A 50 -13.596 0.504 5.977 1.00 0.44 N ATOM 772 CA SER A 50 -13.549 -0.802 6.696 1.00 0.67 C ATOM 773 C SER A 50 -13.770 -1.954 5.711 1.00 0.79 C ATOM 774 O SER A 50 -13.607 -3.109 6.054 1.00 0.95 O ATOM 775 CB SER A 50 -14.644 -0.827 7.760 1.00 0.82 C ATOM 776 OG SER A 50 -15.811 -0.413 7.065 1.00 0.84 O ATOM 0 H SER A 50 -14.528 0.894 5.838 1.00 0.44 H new ATOM 0 HA SER A 50 -12.572 -0.919 7.165 1.00 0.67 H new ATOM 0 HB2 SER A 50 -14.765 -1.824 8.184 1.00 0.82 H new ATOM 0 HB3 SER A 50 -14.412 -0.155 8.586 1.00 0.82 H new ATOM 0 HG SER A 50 -16.573 -0.403 7.682 1.00 0.84 H new ATOM 782 N ASN A 51 -14.134 -1.614 4.506 1.00 0.74 N ATOM 783 CA ASN A 51 -14.374 -2.674 3.482 1.00 0.91 C ATOM 784 C ASN A 51 -13.133 -2.850 2.603 1.00 0.86 C ATOM 785 O ASN A 51 -13.186 -3.485 1.567 1.00 1.14 O ATOM 786 CB ASN A 51 -15.563 -2.267 2.612 1.00 0.98 C ATOM 787 CG ASN A 51 -16.024 -3.471 1.787 1.00 1.19 C ATOM 788 OD1 ASN A 51 -15.738 -3.577 0.610 1.00 2.24 O ATOM 789 ND2 ASN A 51 -16.738 -4.398 2.364 1.00 0.71 N ATOM 0 H ASN A 51 -14.275 -0.656 4.186 1.00 0.74 H new ATOM 0 HA ASN A 51 -14.586 -3.618 3.984 1.00 0.91 H new ATOM 0 HB2 ASN A 51 -16.379 -1.907 3.238 1.00 0.98 H new ATOM 0 HB3 ASN A 51 -15.281 -1.446 1.952 1.00 0.98 H new ATOM 0 HD21 ASN A 51 -17.053 -5.207 1.828 1.00 0.71 H new ATOM 0 HD22 ASN A 51 -16.981 -4.314 3.351 1.00 0.71 H new ATOM 796 N VAL A 52 -12.041 -2.280 3.034 1.00 0.54 N ATOM 797 CA VAL A 52 -10.784 -2.400 2.239 1.00 0.46 C ATOM 798 C VAL A 52 -9.581 -2.533 3.178 1.00 0.42 C ATOM 799 O VAL A 52 -9.493 -1.845 4.176 1.00 0.59 O ATOM 800 CB VAL A 52 -10.620 -1.153 1.373 1.00 0.46 C ATOM 801 CG1 VAL A 52 -9.772 -1.502 0.148 1.00 0.74 C ATOM 802 CG2 VAL A 52 -11.998 -0.674 0.911 1.00 0.41 C ATOM 0 H VAL A 52 -11.964 -1.740 3.896 1.00 0.54 H new ATOM 0 HA VAL A 52 -10.839 -3.286 1.606 1.00 0.46 H new ATOM 0 HB VAL A 52 -10.132 -0.366 1.949 1.00 0.46 H new ATOM 0 HG11 VAL A 52 -9.651 -0.616 -0.475 1.00 0.74 H new ATOM 0 HG12 VAL A 52 -8.793 -1.855 0.472 1.00 0.74 H new ATOM 0 HG13 VAL A 52 -10.268 -2.285 -0.427 1.00 0.74 H new ATOM 0 HG21 VAL A 52 -11.885 0.216 0.292 1.00 0.41 H new ATOM 0 HG22 VAL A 52 -12.481 -1.460 0.331 1.00 0.41 H new ATOM 0 HG23 VAL A 52 -12.611 -0.436 1.780 1.00 0.41 H new ATOM 812 N ILE A 53 -8.679 -3.411 2.837 1.00 0.28 N ATOM 813 CA ILE A 53 -7.480 -3.598 3.704 1.00 0.29 C ATOM 814 C ILE A 53 -6.342 -2.698 3.220 1.00 0.24 C ATOM 815 O ILE A 53 -6.251 -2.384 2.046 1.00 0.27 O ATOM 816 CB ILE A 53 -7.046 -5.062 3.653 1.00 0.28 C ATOM 817 CG1 ILE A 53 -8.055 -5.908 4.439 1.00 0.32 C ATOM 818 CG2 ILE A 53 -5.661 -5.207 4.287 1.00 0.24 C ATOM 819 CD1 ILE A 53 -8.401 -7.154 3.626 1.00 0.78 C ATOM 0 H ILE A 53 -8.718 -4.001 2.006 1.00 0.28 H new ATOM 0 HA ILE A 53 -7.727 -3.328 4.731 1.00 0.29 H new ATOM 0 HB ILE A 53 -7.006 -5.398 2.617 1.00 0.28 H new ATOM 0 HG12 ILE A 53 -7.636 -6.193 5.404 1.00 0.32 H new ATOM 0 HG13 ILE A 53 -8.956 -5.328 4.641 1.00 0.32 H new ATOM 0 HG21 ILE A 53 -5.352 -6.252 4.250 1.00 0.24 H new ATOM 0 HG22 ILE A 53 -4.944 -4.597 3.738 1.00 0.24 H new ATOM 0 HG23 ILE A 53 -5.699 -4.876 5.325 1.00 0.24 H new ATOM 0 HD11 ILE A 53 -9.118 -7.761 4.178 1.00 0.78 H new ATOM 0 HD12 ILE A 53 -8.836 -6.857 2.672 1.00 0.78 H new ATOM 0 HD13 ILE A 53 -7.496 -7.735 3.447 1.00 0.78 H new ATOM 831 N PHE A 54 -5.496 -2.306 4.138 1.00 0.21 N ATOM 832 CA PHE A 54 -4.362 -1.409 3.768 1.00 0.19 C ATOM 833 C PHE A 54 -3.049 -1.921 4.357 1.00 0.25 C ATOM 834 O PHE A 54 -3.018 -2.421 5.461 1.00 0.39 O ATOM 835 CB PHE A 54 -4.646 -0.016 4.325 1.00 0.16 C ATOM 836 CG PHE A 54 -5.923 0.529 3.681 1.00 0.10 C ATOM 837 CD1 PHE A 54 -5.879 1.167 2.455 1.00 0.12 C ATOM 838 CD2 PHE A 54 -7.141 0.386 4.319 1.00 0.08 C ATOM 839 CE1 PHE A 54 -7.034 1.655 1.878 1.00 0.11 C ATOM 840 CE2 PHE A 54 -8.295 0.874 3.740 1.00 0.11 C ATOM 841 CZ PHE A 54 -8.239 1.508 2.520 1.00 0.11 C ATOM 0 H PHE A 54 -5.541 -2.567 5.123 1.00 0.21 H new ATOM 0 HA PHE A 54 -4.268 -1.383 2.682 1.00 0.19 H new ATOM 0 HB2 PHE A 54 -4.760 -0.060 5.408 1.00 0.16 H new ATOM 0 HB3 PHE A 54 -3.808 0.649 4.120 1.00 0.16 H new ATOM 0 HD1 PHE A 54 -4.934 1.284 1.945 1.00 0.12 H new ATOM 0 HD2 PHE A 54 -7.190 -0.111 5.277 1.00 0.08 H new ATOM 0 HE1 PHE A 54 -6.990 2.153 0.921 1.00 0.11 H new ATOM 0 HE2 PHE A 54 -9.243 0.758 4.245 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.142 1.890 2.068 1.00 0.11 H new ATOM 851 N LEU A 55 -1.995 -1.789 3.594 1.00 0.16 N ATOM 852 CA LEU A 55 -0.657 -2.229 4.086 1.00 0.20 C ATOM 853 C LEU A 55 0.363 -1.113 3.842 1.00 0.20 C ATOM 854 O LEU A 55 0.177 -0.278 2.978 1.00 0.29 O ATOM 855 CB LEU A 55 -0.206 -3.493 3.346 1.00 0.30 C ATOM 856 CG LEU A 55 -1.424 -4.382 3.030 1.00 0.40 C ATOM 857 CD1 LEU A 55 -2.221 -3.799 1.860 1.00 0.48 C ATOM 858 CD2 LEU A 55 -0.934 -5.773 2.635 1.00 0.44 C ATOM 0 H LEU A 55 -2.004 -1.396 2.653 1.00 0.16 H new ATOM 0 HA LEU A 55 -0.727 -2.447 5.152 1.00 0.20 H new ATOM 0 HB2 LEU A 55 0.305 -3.221 2.423 1.00 0.30 H new ATOM 0 HB3 LEU A 55 0.509 -4.045 3.955 1.00 0.30 H new ATOM 0 HG LEU A 55 -2.062 -4.432 3.913 1.00 0.40 H new ATOM 0 HD11 LEU A 55 -3.078 -4.439 1.649 1.00 0.48 H new ATOM 0 HD12 LEU A 55 -2.569 -2.799 2.119 1.00 0.48 H new ATOM 0 HD13 LEU A 55 -1.584 -3.744 0.977 1.00 0.48 H new ATOM 0 HD21 LEU A 55 -1.789 -6.410 2.409 1.00 0.44 H new ATOM 0 HD22 LEU A 55 -0.296 -5.698 1.755 1.00 0.44 H new ATOM 0 HD23 LEU A 55 -0.366 -6.206 3.459 1.00 0.44 H new ATOM 870 N GLU A 56 1.418 -1.133 4.605 1.00 0.22 N ATOM 871 CA GLU A 56 2.471 -0.082 4.454 1.00 0.20 C ATOM 872 C GLU A 56 3.849 -0.746 4.345 1.00 0.23 C ATOM 873 O GLU A 56 4.301 -1.385 5.275 1.00 0.30 O ATOM 874 CB GLU A 56 2.437 0.824 5.685 1.00 0.18 C ATOM 875 CG GLU A 56 3.735 1.630 5.760 1.00 0.84 C ATOM 876 CD GLU A 56 4.775 0.846 6.562 1.00 2.36 C ATOM 877 OE1 GLU A 56 4.556 0.723 7.755 1.00 2.72 O ATOM 878 OE2 GLU A 56 5.729 0.415 5.936 1.00 3.40 O ATOM 0 H GLU A 56 1.600 -1.829 5.327 1.00 0.22 H new ATOM 0 HA GLU A 56 2.285 0.504 3.554 1.00 0.20 H new ATOM 0 HB2 GLU A 56 1.581 1.497 5.631 1.00 0.18 H new ATOM 0 HB3 GLU A 56 2.315 0.225 6.588 1.00 0.18 H new ATOM 0 HG2 GLU A 56 4.110 1.831 4.756 1.00 0.84 H new ATOM 0 HG3 GLU A 56 3.550 2.596 6.230 1.00 0.84 H new ATOM 885 N VAL A 57 4.487 -0.583 3.214 1.00 0.19 N ATOM 886 CA VAL A 57 5.835 -1.209 3.039 1.00 0.21 C ATOM 887 C VAL A 57 6.939 -0.169 3.253 1.00 0.23 C ATOM 888 O VAL A 57 6.934 0.886 2.645 1.00 0.21 O ATOM 889 CB VAL A 57 5.950 -1.784 1.629 1.00 0.16 C ATOM 890 CG1 VAL A 57 7.417 -2.143 1.355 1.00 0.18 C ATOM 891 CG2 VAL A 57 5.090 -3.046 1.525 1.00 0.18 C ATOM 0 H VAL A 57 4.141 -0.052 2.415 1.00 0.19 H new ATOM 0 HA VAL A 57 5.951 -2.005 3.775 1.00 0.21 H new ATOM 0 HB VAL A 57 5.607 -1.050 0.900 1.00 0.16 H new ATOM 0 HG11 VAL A 57 7.509 -2.555 0.350 1.00 0.18 H new ATOM 0 HG12 VAL A 57 8.032 -1.247 1.438 1.00 0.18 H new ATOM 0 HG13 VAL A 57 7.753 -2.882 2.082 1.00 0.18 H new ATOM 0 HG21 VAL A 57 5.170 -3.459 0.519 1.00 0.18 H new ATOM 0 HG22 VAL A 57 5.437 -3.783 2.249 1.00 0.18 H new ATOM 0 HG23 VAL A 57 4.050 -2.796 1.733 1.00 0.18 H new ATOM 901 N ASP A 58 7.862 -0.494 4.117 1.00 0.37 N ATOM 902 CA ASP A 58 8.987 0.448 4.384 1.00 0.44 C ATOM 903 C ASP A 58 10.165 0.123 3.457 1.00 0.44 C ATOM 904 O ASP A 58 10.850 -0.862 3.641 1.00 0.46 O ATOM 905 CB ASP A 58 9.426 0.304 5.842 1.00 0.51 C ATOM 906 CG ASP A 58 10.460 1.382 6.171 1.00 0.55 C ATOM 907 OD1 ASP A 58 10.556 2.301 5.375 1.00 0.66 O ATOM 908 OD2 ASP A 58 11.095 1.226 7.201 1.00 1.48 O ATOM 0 H ASP A 58 7.887 -1.365 4.647 1.00 0.37 H new ATOM 0 HA ASP A 58 8.659 1.471 4.199 1.00 0.44 H new ATOM 0 HB2 ASP A 58 8.565 0.397 6.503 1.00 0.51 H new ATOM 0 HB3 ASP A 58 9.851 -0.686 6.009 1.00 0.51 H new ATOM 913 N VAL A 59 10.376 0.962 2.482 1.00 0.44 N ATOM 914 CA VAL A 59 11.495 0.712 1.525 1.00 0.44 C ATOM 915 C VAL A 59 12.850 0.773 2.241 1.00 0.52 C ATOM 916 O VAL A 59 13.888 0.688 1.615 1.00 0.71 O ATOM 917 CB VAL A 59 11.453 1.770 0.428 1.00 0.44 C ATOM 918 CG1 VAL A 59 10.160 1.609 -0.371 1.00 0.36 C ATOM 919 CG2 VAL A 59 11.480 3.161 1.067 1.00 0.52 C ATOM 0 H VAL A 59 9.828 1.804 2.305 1.00 0.44 H new ATOM 0 HA VAL A 59 11.377 -0.283 1.096 1.00 0.44 H new ATOM 0 HB VAL A 59 12.313 1.653 -0.231 1.00 0.44 H new ATOM 0 HG11 VAL A 59 10.122 2.362 -1.158 1.00 0.36 H new ATOM 0 HG12 VAL A 59 10.130 0.615 -0.818 1.00 0.36 H new ATOM 0 HG13 VAL A 59 9.304 1.734 0.292 1.00 0.36 H new ATOM 0 HG21 VAL A 59 11.450 3.921 0.286 1.00 0.52 H new ATOM 0 HG22 VAL A 59 10.615 3.278 1.720 1.00 0.52 H new ATOM 0 HG23 VAL A 59 12.394 3.276 1.650 1.00 0.52 H new ATOM 929 N ASP A 60 12.813 0.917 3.535 1.00 0.53 N ATOM 930 CA ASP A 60 14.091 0.985 4.297 1.00 0.58 C ATOM 931 C ASP A 60 14.473 -0.400 4.822 1.00 0.54 C ATOM 932 O ASP A 60 15.595 -0.838 4.663 1.00 0.55 O ATOM 933 CB ASP A 60 13.919 1.943 5.470 1.00 0.65 C ATOM 934 CG ASP A 60 15.292 2.436 5.927 1.00 0.56 C ATOM 935 OD1 ASP A 60 16.152 1.584 6.069 1.00 1.23 O ATOM 936 OD2 ASP A 60 15.403 3.638 6.109 1.00 1.69 O ATOM 0 H ASP A 60 11.963 0.990 4.094 1.00 0.53 H new ATOM 0 HA ASP A 60 14.883 1.339 3.637 1.00 0.58 H new ATOM 0 HB2 ASP A 60 13.296 2.788 5.176 1.00 0.65 H new ATOM 0 HB3 ASP A 60 13.408 1.441 6.292 1.00 0.65 H new ATOM 941 N ASP A 61 13.529 -1.060 5.436 1.00 0.51 N ATOM 942 CA ASP A 61 13.821 -2.419 5.981 1.00 0.48 C ATOM 943 C ASP A 61 13.346 -3.495 5.002 1.00 0.25 C ATOM 944 O ASP A 61 13.907 -4.572 4.944 1.00 0.14 O ATOM 945 CB ASP A 61 13.095 -2.590 7.312 1.00 0.64 C ATOM 946 CG ASP A 61 13.416 -3.970 7.886 1.00 0.51 C ATOM 947 OD1 ASP A 61 14.594 -4.289 7.901 1.00 0.52 O ATOM 948 OD2 ASP A 61 12.467 -4.629 8.277 1.00 1.25 O ATOM 0 H ASP A 61 12.578 -0.723 5.584 1.00 0.51 H new ATOM 0 HA ASP A 61 14.896 -2.523 6.126 1.00 0.48 H new ATOM 0 HB2 ASP A 61 13.403 -1.812 8.010 1.00 0.64 H new ATOM 0 HB3 ASP A 61 12.020 -2.483 7.170 1.00 0.64 H new ATOM 953 N CYS A 62 12.318 -3.174 4.254 1.00 0.48 N ATOM 954 CA CYS A 62 11.779 -4.161 3.268 1.00 0.28 C ATOM 955 C CYS A 62 12.069 -3.683 1.838 1.00 0.40 C ATOM 956 O CYS A 62 11.212 -3.141 1.168 1.00 1.06 O ATOM 957 CB CYS A 62 10.266 -4.310 3.485 1.00 0.42 C ATOM 958 SG CYS A 62 9.423 -3.012 4.424 1.00 0.94 S ATOM 0 H CYS A 62 11.832 -2.278 4.283 1.00 0.48 H new ATOM 0 HA CYS A 62 12.261 -5.128 3.413 1.00 0.28 H new ATOM 0 HB2 CYS A 62 9.791 -4.379 2.506 1.00 0.42 H new ATOM 0 HB3 CYS A 62 10.091 -5.259 3.992 1.00 0.42 H new ATOM 0 HG CYS A 62 10.136 -1.925 4.399 1.00 0.94 H new ATOM 964 N GLN A 63 13.285 -3.889 1.405 1.00 0.47 N ATOM 965 CA GLN A 63 13.653 -3.464 0.034 1.00 0.37 C ATOM 966 C GLN A 63 13.437 -4.615 -0.946 1.00 0.34 C ATOM 967 O GLN A 63 13.303 -4.407 -2.133 1.00 0.45 O ATOM 968 CB GLN A 63 15.120 -3.035 0.008 1.00 0.36 C ATOM 969 CG GLN A 63 15.903 -3.847 1.041 1.00 1.60 C ATOM 970 CD GLN A 63 17.402 -3.628 0.827 1.00 1.51 C ATOM 971 OE1 GLN A 63 17.907 -2.531 0.964 1.00 0.79 O ATOM 972 NE2 GLN A 63 18.149 -4.644 0.489 1.00 2.66 N ATOM 0 H GLN A 63 14.031 -4.331 1.942 1.00 0.47 H new ATOM 0 HA GLN A 63 13.023 -2.624 -0.260 1.00 0.37 H new ATOM 0 HB2 GLN A 63 15.539 -3.190 -0.986 1.00 0.36 H new ATOM 0 HB3 GLN A 63 15.203 -1.970 0.226 1.00 0.36 H new ATOM 0 HG2 GLN A 63 15.620 -3.544 2.049 1.00 1.60 H new ATOM 0 HG3 GLN A 63 15.662 -4.906 0.947 1.00 1.60 H new ATOM 0 HE21 GLN A 63 17.732 -5.567 0.372 1.00 2.66 H new ATOM 0 HE22 GLN A 63 19.150 -4.514 0.342 1.00 2.66 H new ATOM 981 N ASP A 64 13.414 -5.807 -0.425 1.00 0.35 N ATOM 982 CA ASP A 64 13.202 -6.983 -1.306 1.00 0.43 C ATOM 983 C ASP A 64 11.820 -6.903 -1.946 1.00 0.40 C ATOM 984 O ASP A 64 11.622 -7.313 -3.073 1.00 0.43 O ATOM 985 CB ASP A 64 13.308 -8.259 -0.473 1.00 0.59 C ATOM 986 CG ASP A 64 12.738 -8.000 0.923 1.00 0.49 C ATOM 987 OD1 ASP A 64 13.520 -7.575 1.757 1.00 0.86 O ATOM 988 OD2 ASP A 64 11.552 -8.241 1.076 1.00 0.92 O ATOM 0 H ASP A 64 13.532 -6.017 0.566 1.00 0.35 H new ATOM 0 HA ASP A 64 13.959 -6.993 -2.090 1.00 0.43 H new ATOM 0 HB2 ASP A 64 12.762 -9.069 -0.957 1.00 0.59 H new ATOM 0 HB3 ASP A 64 14.349 -8.574 -0.401 1.00 0.59 H new ATOM 993 N VAL A 65 10.898 -6.373 -1.206 1.00 0.38 N ATOM 994 CA VAL A 65 9.519 -6.238 -1.727 1.00 0.38 C ATOM 995 C VAL A 65 9.425 -5.041 -2.668 1.00 0.35 C ATOM 996 O VAL A 65 8.672 -5.048 -3.621 1.00 0.48 O ATOM 997 CB VAL A 65 8.570 -6.043 -0.561 1.00 0.31 C ATOM 998 CG1 VAL A 65 7.131 -6.223 -1.047 1.00 0.35 C ATOM 999 CG2 VAL A 65 8.874 -7.084 0.518 1.00 0.40 C ATOM 0 H VAL A 65 11.040 -6.025 -0.258 1.00 0.38 H new ATOM 0 HA VAL A 65 9.252 -7.139 -2.280 1.00 0.38 H new ATOM 0 HB VAL A 65 8.695 -5.042 -0.149 1.00 0.31 H new ATOM 0 HG11 VAL A 65 6.445 -6.084 -0.212 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.914 -5.487 -1.822 1.00 0.35 H new ATOM 0 HG13 VAL A 65 7.007 -7.226 -1.455 1.00 0.35 H new ATOM 0 HG21 VAL A 65 8.193 -6.947 1.358 1.00 0.40 H new ATOM 0 HG22 VAL A 65 8.744 -8.084 0.105 1.00 0.40 H new ATOM 0 HG23 VAL A 65 9.902 -6.964 0.860 1.00 0.40 H new ATOM 1009 N ALA A 66 10.189 -4.033 -2.375 1.00 0.27 N ATOM 1010 CA ALA A 66 10.174 -2.830 -3.243 1.00 0.27 C ATOM 1011 C ALA A 66 10.874 -3.148 -4.559 1.00 0.38 C ATOM 1012 O ALA A 66 10.423 -2.772 -5.621 1.00 0.52 O ATOM 1013 CB ALA A 66 10.900 -1.687 -2.535 1.00 0.20 C ATOM 0 H ALA A 66 10.821 -3.989 -1.576 1.00 0.27 H new ATOM 0 HA ALA A 66 9.145 -2.534 -3.445 1.00 0.27 H new ATOM 0 HB1 ALA A 66 10.891 -0.801 -3.170 1.00 0.20 H new ATOM 0 HB2 ALA A 66 10.397 -1.464 -1.594 1.00 0.20 H new ATOM 0 HB3 ALA A 66 11.931 -1.979 -2.335 1.00 0.20 H new ATOM 1019 N SER A 67 11.963 -3.837 -4.449 1.00 0.32 N ATOM 1020 CA SER A 67 12.723 -4.213 -5.664 1.00 0.40 C ATOM 1021 C SER A 67 11.978 -5.320 -6.409 1.00 0.40 C ATOM 1022 O SER A 67 12.352 -5.705 -7.498 1.00 0.42 O ATOM 1023 CB SER A 67 14.105 -4.713 -5.252 1.00 0.50 C ATOM 1024 OG SER A 67 14.775 -4.937 -6.483 1.00 0.90 O ATOM 0 H SER A 67 12.363 -4.159 -3.568 1.00 0.32 H new ATOM 0 HA SER A 67 12.826 -3.347 -6.318 1.00 0.40 H new ATOM 0 HB2 SER A 67 14.629 -3.978 -4.641 1.00 0.50 H new ATOM 0 HB3 SER A 67 14.038 -5.627 -4.663 1.00 0.50 H new ATOM 0 HG SER A 67 14.140 -5.287 -7.142 1.00 0.90 H new ATOM 1030 N GLU A 68 10.934 -5.806 -5.796 1.00 0.42 N ATOM 1031 CA GLU A 68 10.145 -6.884 -6.435 1.00 0.43 C ATOM 1032 C GLU A 68 9.060 -6.274 -7.319 1.00 0.31 C ATOM 1033 O GLU A 68 8.608 -6.882 -8.269 1.00 0.21 O ATOM 1034 CB GLU A 68 9.507 -7.749 -5.349 1.00 0.45 C ATOM 1035 CG GLU A 68 8.544 -8.736 -6.002 1.00 0.65 C ATOM 1036 CD GLU A 68 8.196 -9.842 -5.005 1.00 0.64 C ATOM 1037 OE1 GLU A 68 7.802 -9.478 -3.910 1.00 1.59 O ATOM 1038 OE2 GLU A 68 8.344 -10.988 -5.395 1.00 1.11 O ATOM 0 H GLU A 68 10.598 -5.501 -4.883 1.00 0.42 H new ATOM 0 HA GLU A 68 10.798 -7.500 -7.053 1.00 0.43 H new ATOM 0 HB2 GLU A 68 10.277 -8.285 -4.794 1.00 0.45 H new ATOM 0 HB3 GLU A 68 8.976 -7.123 -4.633 1.00 0.45 H new ATOM 0 HG2 GLU A 68 7.638 -8.220 -6.321 1.00 0.65 H new ATOM 0 HG3 GLU A 68 8.997 -9.166 -6.895 1.00 0.65 H new ATOM 1045 N CYS A 69 8.669 -5.082 -6.981 1.00 0.34 N ATOM 1046 CA CYS A 69 7.621 -4.393 -7.788 1.00 0.24 C ATOM 1047 C CYS A 69 8.292 -3.516 -8.841 1.00 0.31 C ATOM 1048 O CYS A 69 7.653 -3.020 -9.747 1.00 0.35 O ATOM 1049 CB CYS A 69 6.763 -3.527 -6.868 1.00 0.19 C ATOM 1050 SG CYS A 69 5.529 -4.367 -5.847 1.00 0.15 S ATOM 0 H CYS A 69 9.025 -4.553 -6.185 1.00 0.34 H new ATOM 0 HA CYS A 69 6.990 -5.132 -8.281 1.00 0.24 H new ATOM 0 HB2 CYS A 69 7.430 -2.976 -6.205 1.00 0.19 H new ATOM 0 HB3 CYS A 69 6.246 -2.791 -7.484 1.00 0.19 H new ATOM 0 HG CYS A 69 5.431 -3.763 -4.700 1.00 0.15 H new ATOM 1056 N GLU A 70 9.574 -3.346 -8.689 1.00 0.46 N ATOM 1057 CA GLU A 70 10.333 -2.515 -9.662 1.00 0.55 C ATOM 1058 C GLU A 70 9.955 -1.040 -9.530 1.00 0.53 C ATOM 1059 O GLU A 70 9.755 -0.360 -10.516 1.00 0.57 O ATOM 1060 CB GLU A 70 10.027 -2.993 -11.080 1.00 0.60 C ATOM 1061 CG GLU A 70 11.235 -2.712 -11.975 1.00 1.36 C ATOM 1062 CD GLU A 70 10.762 -2.525 -13.418 1.00 1.97 C ATOM 1063 OE1 GLU A 70 10.361 -1.412 -13.715 1.00 3.42 O ATOM 1064 OE2 GLU A 70 10.828 -3.506 -14.140 1.00 1.34 O ATOM 0 H GLU A 70 10.129 -3.747 -7.933 1.00 0.46 H new ATOM 0 HA GLU A 70 11.398 -2.619 -9.453 1.00 0.55 H new ATOM 0 HB2 GLU A 70 9.802 -4.059 -11.077 1.00 0.60 H new ATOM 0 HB3 GLU A 70 9.145 -2.482 -11.467 1.00 0.60 H new ATOM 0 HG2 GLU A 70 11.756 -1.818 -11.632 1.00 1.36 H new ATOM 0 HG3 GLU A 70 11.945 -3.537 -11.917 1.00 1.36 H new ATOM 1071 N VAL A 71 9.860 -0.571 -8.316 1.00 0.48 N ATOM 1072 CA VAL A 71 9.514 0.868 -8.126 1.00 0.47 C ATOM 1073 C VAL A 71 10.746 1.731 -8.404 1.00 0.55 C ATOM 1074 O VAL A 71 11.863 1.252 -8.362 1.00 0.63 O ATOM 1075 CB VAL A 71 9.044 1.108 -6.693 1.00 0.39 C ATOM 1076 CG1 VAL A 71 8.025 2.247 -6.685 1.00 0.48 C ATOM 1077 CG2 VAL A 71 8.380 -0.162 -6.154 1.00 0.42 C ATOM 0 H VAL A 71 10.004 -1.109 -7.461 1.00 0.48 H new ATOM 0 HA VAL A 71 8.714 1.135 -8.816 1.00 0.47 H new ATOM 0 HB VAL A 71 9.898 1.368 -6.067 1.00 0.39 H new ATOM 0 HG11 VAL A 71 7.685 2.424 -5.665 1.00 0.48 H new ATOM 0 HG12 VAL A 71 8.489 3.153 -7.075 1.00 0.48 H new ATOM 0 HG13 VAL A 71 7.173 1.978 -7.310 1.00 0.48 H new ATOM 0 HG21 VAL A 71 8.044 0.009 -5.131 1.00 0.42 H new ATOM 0 HG22 VAL A 71 7.524 -0.418 -6.779 1.00 0.42 H new ATOM 0 HG23 VAL A 71 9.098 -0.982 -6.168 1.00 0.42 H new ATOM 1087 N LYS A 72 10.521 2.983 -8.683 1.00 0.57 N ATOM 1088 CA LYS A 72 11.672 3.888 -8.963 1.00 0.64 C ATOM 1089 C LYS A 72 11.384 5.285 -8.415 1.00 0.59 C ATOM 1090 O LYS A 72 12.002 6.252 -8.816 1.00 0.69 O ATOM 1091 CB LYS A 72 11.895 3.964 -10.474 1.00 0.79 C ATOM 1092 CG LYS A 72 13.368 4.293 -10.749 1.00 1.21 C ATOM 1093 CD LYS A 72 13.497 4.977 -12.120 1.00 2.17 C ATOM 1094 CE LYS A 72 13.040 4.013 -13.222 1.00 2.93 C ATOM 1095 NZ LYS A 72 13.997 4.036 -14.365 1.00 3.00 N ATOM 0 H LYS A 72 9.599 3.417 -8.730 1.00 0.57 H new ATOM 0 HA LYS A 72 12.566 3.496 -8.478 1.00 0.64 H new ATOM 0 HB2 LYS A 72 11.628 3.016 -10.941 1.00 0.79 H new ATOM 0 HB3 LYS A 72 11.251 4.727 -10.911 1.00 0.79 H new ATOM 0 HG2 LYS A 72 13.757 4.946 -9.968 1.00 1.21 H new ATOM 0 HG3 LYS A 72 13.965 3.381 -10.729 1.00 1.21 H new ATOM 0 HD2 LYS A 72 12.893 5.884 -12.143 1.00 2.17 H new ATOM 0 HD3 LYS A 72 14.531 5.278 -12.292 1.00 2.17 H new ATOM 0 HE2 LYS A 72 12.967 3.002 -12.822 1.00 2.93 H new ATOM 0 HE3 LYS A 72 12.045 4.292 -13.568 1.00 2.93 H new ATOM 0 HZ1 LYS A 72 13.673 3.378 -15.102 1.00 3.00 H new ATOM 0 HZ2 LYS A 72 14.047 4.998 -14.757 1.00 3.00 H new ATOM 0 HZ3 LYS A 72 14.940 3.748 -14.034 1.00 3.00 H new ATOM 1109 N CYS A 73 10.449 5.364 -7.507 1.00 0.46 N ATOM 1110 CA CYS A 73 10.112 6.696 -6.924 1.00 0.44 C ATOM 1111 C CYS A 73 8.997 6.560 -5.887 1.00 0.39 C ATOM 1112 O CYS A 73 7.930 6.063 -6.180 1.00 0.57 O ATOM 1113 CB CYS A 73 9.656 7.633 -8.044 1.00 0.54 C ATOM 1114 SG CYS A 73 8.665 6.916 -9.378 1.00 0.59 S ATOM 0 H CYS A 73 9.910 4.576 -7.147 1.00 0.46 H new ATOM 0 HA CYS A 73 10.996 7.103 -6.434 1.00 0.44 H new ATOM 0 HB2 CYS A 73 9.080 8.441 -7.593 1.00 0.54 H new ATOM 0 HB3 CYS A 73 10.543 8.084 -8.488 1.00 0.54 H new ATOM 0 HG CYS A 73 8.362 7.842 -10.239 1.00 0.59 H new ATOM 1120 N THR A 74 9.276 7.013 -4.696 1.00 0.22 N ATOM 1121 CA THR A 74 8.254 6.927 -3.612 1.00 0.20 C ATOM 1122 C THR A 74 7.583 8.310 -3.429 1.00 0.28 C ATOM 1123 O THR A 74 8.183 9.323 -3.726 1.00 0.34 O ATOM 1124 CB THR A 74 8.969 6.521 -2.315 1.00 0.16 C ATOM 1125 OG1 THR A 74 10.131 7.345 -2.272 1.00 0.24 O ATOM 1126 CG2 THR A 74 9.498 5.092 -2.394 1.00 0.08 C ATOM 0 H THR A 74 10.163 7.438 -4.426 1.00 0.22 H new ATOM 0 HA THR A 74 7.488 6.194 -3.864 1.00 0.20 H new ATOM 0 HB THR A 74 8.288 6.613 -1.469 1.00 0.16 H new ATOM 0 HG1 THR A 74 10.645 7.144 -1.462 1.00 0.24 H new ATOM 0 HG21 THR A 74 9.998 4.837 -1.460 1.00 0.08 H new ATOM 0 HG22 THR A 74 8.668 4.405 -2.560 1.00 0.08 H new ATOM 0 HG23 THR A 74 10.206 5.011 -3.219 1.00 0.08 H new ATOM 1134 N PRO A 75 6.346 8.335 -2.940 1.00 0.29 N ATOM 1135 CA PRO A 75 5.562 7.132 -2.578 1.00 0.22 C ATOM 1136 C PRO A 75 4.954 6.469 -3.828 1.00 0.20 C ATOM 1137 O PRO A 75 4.674 7.134 -4.812 1.00 0.25 O ATOM 1138 CB PRO A 75 4.432 7.665 -1.688 1.00 0.28 C ATOM 1139 CG PRO A 75 4.445 9.220 -1.809 1.00 0.37 C ATOM 1140 CD PRO A 75 5.668 9.603 -2.662 1.00 0.36 C ATOM 0 HA PRO A 75 6.182 6.381 -2.088 1.00 0.22 H new ATOM 0 HB2 PRO A 75 3.470 7.262 -2.005 1.00 0.28 H new ATOM 0 HB3 PRO A 75 4.580 7.358 -0.653 1.00 0.28 H new ATOM 0 HG2 PRO A 75 3.526 9.577 -2.273 1.00 0.37 H new ATOM 0 HG3 PRO A 75 4.504 9.682 -0.823 1.00 0.37 H new ATOM 0 HD2 PRO A 75 5.366 10.100 -3.584 1.00 0.36 H new ATOM 0 HD3 PRO A 75 6.322 10.292 -2.128 1.00 0.36 H new ATOM 1148 N THR A 76 4.767 5.172 -3.757 1.00 0.13 N ATOM 1149 CA THR A 76 4.162 4.444 -4.913 1.00 0.13 C ATOM 1150 C THR A 76 3.014 3.560 -4.412 1.00 0.09 C ATOM 1151 O THR A 76 3.132 2.916 -3.388 1.00 0.28 O ATOM 1152 CB THR A 76 5.230 3.582 -5.592 1.00 0.15 C ATOM 1153 OG1 THR A 76 6.149 4.517 -6.148 1.00 0.33 O ATOM 1154 CG2 THR A 76 4.656 2.826 -6.787 1.00 0.42 C ATOM 0 H THR A 76 5.006 4.591 -2.953 1.00 0.13 H new ATOM 0 HA THR A 76 3.773 5.161 -5.636 1.00 0.13 H new ATOM 0 HB THR A 76 5.649 2.873 -4.878 1.00 0.15 H new ATOM 0 HG1 THR A 76 6.882 4.670 -5.516 1.00 0.33 H new ATOM 0 HG21 THR A 76 5.439 2.224 -7.247 1.00 0.42 H new ATOM 0 HG22 THR A 76 3.848 2.176 -6.452 1.00 0.42 H new ATOM 0 HG23 THR A 76 4.270 3.538 -7.517 1.00 0.42 H new ATOM 1162 N PHE A 77 1.930 3.548 -5.149 1.00 0.18 N ATOM 1163 CA PHE A 77 0.750 2.732 -4.718 1.00 0.23 C ATOM 1164 C PHE A 77 0.511 1.548 -5.649 1.00 0.23 C ATOM 1165 O PHE A 77 0.673 1.652 -6.849 1.00 0.28 O ATOM 1166 CB PHE A 77 -0.487 3.617 -4.748 1.00 0.24 C ATOM 1167 CG PHE A 77 -0.464 4.547 -3.547 1.00 0.26 C ATOM 1168 CD1 PHE A 77 -0.841 4.084 -2.306 1.00 0.33 C ATOM 1169 CD2 PHE A 77 -0.066 5.865 -3.686 1.00 0.31 C ATOM 1170 CE1 PHE A 77 -0.824 4.926 -1.213 1.00 0.36 C ATOM 1171 CE2 PHE A 77 -0.047 6.706 -2.593 1.00 0.31 C ATOM 1172 CZ PHE A 77 -0.427 6.236 -1.357 1.00 0.30 C ATOM 0 H PHE A 77 1.810 4.062 -6.022 1.00 0.18 H new ATOM 0 HA PHE A 77 0.949 2.350 -3.717 1.00 0.23 H new ATOM 0 HB2 PHE A 77 -0.512 4.196 -5.671 1.00 0.24 H new ATOM 0 HB3 PHE A 77 -1.388 3.004 -4.731 1.00 0.24 H new ATOM 0 HD1 PHE A 77 -1.152 3.056 -2.188 1.00 0.33 H new ATOM 0 HD2 PHE A 77 0.231 6.237 -4.655 1.00 0.31 H new ATOM 0 HE1 PHE A 77 -1.123 4.557 -0.243 1.00 0.36 H new ATOM 0 HE2 PHE A 77 0.266 7.733 -2.707 1.00 0.31 H new ATOM 0 HZ PHE A 77 -0.414 6.894 -0.501 1.00 0.30 H new ATOM 1182 N GLN A 78 0.129 0.444 -5.068 1.00 0.25 N ATOM 1183 CA GLN A 78 -0.168 -0.765 -5.900 1.00 0.28 C ATOM 1184 C GLN A 78 -1.466 -1.425 -5.422 1.00 0.24 C ATOM 1185 O GLN A 78 -1.819 -1.350 -4.262 1.00 0.25 O ATOM 1186 CB GLN A 78 0.988 -1.767 -5.790 1.00 0.38 C ATOM 1187 CG GLN A 78 2.144 -1.384 -6.746 1.00 0.39 C ATOM 1188 CD GLN A 78 3.273 -0.743 -5.943 1.00 1.17 C ATOM 1189 OE1 GLN A 78 3.187 0.395 -5.528 1.00 2.75 O ATOM 1190 NE2 GLN A 78 4.352 -1.438 -5.707 1.00 0.98 N ATOM 0 H GLN A 78 0.009 0.323 -4.062 1.00 0.25 H new ATOM 0 HA GLN A 78 -0.284 -0.459 -6.940 1.00 0.28 H new ATOM 0 HB2 GLN A 78 1.354 -1.795 -4.764 1.00 0.38 H new ATOM 0 HB3 GLN A 78 0.630 -2.769 -6.028 1.00 0.38 H new ATOM 0 HG2 GLN A 78 2.510 -2.270 -7.266 1.00 0.39 H new ATOM 0 HG3 GLN A 78 1.786 -0.692 -7.508 1.00 0.39 H new ATOM 0 HE21 GLN A 78 4.429 -2.394 -6.054 1.00 0.98 H new ATOM 0 HE22 GLN A 78 5.119 -1.025 -5.176 1.00 0.98 H new ATOM 1199 N PHE A 79 -2.144 -2.059 -6.344 1.00 0.23 N ATOM 1200 CA PHE A 79 -3.436 -2.729 -6.004 1.00 0.20 C ATOM 1201 C PHE A 79 -3.275 -4.248 -6.127 1.00 0.17 C ATOM 1202 O PHE A 79 -2.912 -4.740 -7.176 1.00 0.18 O ATOM 1203 CB PHE A 79 -4.509 -2.257 -6.996 1.00 0.24 C ATOM 1204 CG PHE A 79 -4.952 -0.823 -6.657 1.00 0.29 C ATOM 1205 CD1 PHE A 79 -4.041 0.226 -6.671 1.00 0.27 C ATOM 1206 CD2 PHE A 79 -6.274 -0.557 -6.333 1.00 0.36 C ATOM 1207 CE1 PHE A 79 -4.449 1.509 -6.364 1.00 0.32 C ATOM 1208 CE2 PHE A 79 -6.674 0.728 -6.028 1.00 0.40 C ATOM 1209 CZ PHE A 79 -5.763 1.759 -6.043 1.00 0.38 C ATOM 0 H PHE A 79 -1.858 -2.142 -7.320 1.00 0.23 H new ATOM 0 HA PHE A 79 -3.726 -2.477 -4.984 1.00 0.20 H new ATOM 0 HB2 PHE A 79 -4.116 -2.293 -8.012 1.00 0.24 H new ATOM 0 HB3 PHE A 79 -5.367 -2.928 -6.961 1.00 0.24 H new ATOM 0 HD1 PHE A 79 -3.008 0.037 -6.923 1.00 0.27 H new ATOM 0 HD2 PHE A 79 -6.995 -1.361 -6.319 1.00 0.36 H new ATOM 0 HE1 PHE A 79 -3.734 2.319 -6.376 1.00 0.32 H new ATOM 0 HE2 PHE A 79 -7.706 0.925 -5.777 1.00 0.40 H new ATOM 0 HZ PHE A 79 -6.079 2.763 -5.803 1.00 0.38 H new ATOM 1219 N PHE A 80 -3.554 -4.958 -5.057 1.00 0.13 N ATOM 1220 CA PHE A 80 -3.411 -6.450 -5.102 1.00 0.13 C ATOM 1221 C PHE A 80 -4.753 -7.131 -4.824 1.00 0.20 C ATOM 1222 O PHE A 80 -5.542 -6.655 -4.030 1.00 0.22 O ATOM 1223 CB PHE A 80 -2.397 -6.883 -4.046 1.00 0.06 C ATOM 1224 CG PHE A 80 -0.996 -6.471 -4.494 1.00 0.05 C ATOM 1225 CD1 PHE A 80 -0.312 -7.216 -5.440 1.00 0.11 C ATOM 1226 CD2 PHE A 80 -0.394 -5.347 -3.961 1.00 0.08 C ATOM 1227 CE1 PHE A 80 0.953 -6.840 -5.842 1.00 0.14 C ATOM 1228 CE2 PHE A 80 0.870 -4.974 -4.364 1.00 0.13 C ATOM 1229 CZ PHE A 80 1.543 -5.721 -5.303 1.00 0.14 C ATOM 0 H PHE A 80 -3.870 -4.575 -4.166 1.00 0.13 H new ATOM 0 HA PHE A 80 -3.072 -6.743 -6.096 1.00 0.13 H new ATOM 0 HB2 PHE A 80 -2.635 -6.423 -3.087 1.00 0.06 H new ATOM 0 HB3 PHE A 80 -2.443 -7.962 -3.902 1.00 0.06 H new ATOM 0 HD1 PHE A 80 -0.771 -8.096 -5.865 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -0.918 -4.757 -3.224 1.00 0.08 H new ATOM 0 HE1 PHE A 80 1.480 -7.425 -6.581 1.00 0.14 H new ATOM 0 HE2 PHE A 80 1.333 -4.094 -3.942 1.00 0.13 H new ATOM 0 HZ PHE A 80 2.534 -5.429 -5.617 1.00 0.14 H new ATOM 1239 N LYS A 81 -4.978 -8.234 -5.492 1.00 0.28 N ATOM 1240 CA LYS A 81 -6.257 -8.980 -5.290 1.00 0.37 C ATOM 1241 C LYS A 81 -5.964 -10.466 -5.090 1.00 0.42 C ATOM 1242 O LYS A 81 -5.389 -11.110 -5.945 1.00 0.51 O ATOM 1243 CB LYS A 81 -7.144 -8.795 -6.518 1.00 0.62 C ATOM 1244 CG LYS A 81 -8.506 -9.437 -6.257 1.00 0.90 C ATOM 1245 CD LYS A 81 -9.438 -9.119 -7.427 1.00 1.40 C ATOM 1246 CE LYS A 81 -10.402 -8.010 -7.007 1.00 0.80 C ATOM 1247 NZ LYS A 81 -11.270 -8.473 -5.888 1.00 0.92 N ATOM 0 H LYS A 81 -4.334 -8.649 -6.166 1.00 0.28 H new ATOM 0 HA LYS A 81 -6.766 -8.595 -4.407 1.00 0.37 H new ATOM 0 HB2 LYS A 81 -7.265 -7.734 -6.737 1.00 0.62 H new ATOM 0 HB3 LYS A 81 -6.676 -9.250 -7.391 1.00 0.62 H new ATOM 0 HG2 LYS A 81 -8.398 -10.516 -6.144 1.00 0.90 H new ATOM 0 HG3 LYS A 81 -8.928 -9.059 -5.326 1.00 0.90 H new ATOM 0 HD2 LYS A 81 -8.859 -8.806 -8.295 1.00 1.40 H new ATOM 0 HD3 LYS A 81 -9.993 -10.010 -7.719 1.00 1.40 H new ATOM 0 HE2 LYS A 81 -9.840 -7.128 -6.699 1.00 0.80 H new ATOM 0 HE3 LYS A 81 -11.019 -7.715 -7.856 1.00 0.80 H new ATOM 0 HZ1 LYS A 81 -12.222 -8.068 -5.997 1.00 0.92 H new ATOM 0 HZ2 LYS A 81 -11.332 -9.511 -5.903 1.00 0.92 H new ATOM 0 HZ3 LYS A 81 -10.863 -8.163 -4.982 1.00 0.92 H new ATOM 1261 N LYS A 82 -6.367 -10.980 -3.962 1.00 0.46 N ATOM 1262 CA LYS A 82 -6.109 -12.421 -3.681 1.00 0.66 C ATOM 1263 C LYS A 82 -4.633 -12.740 -3.926 1.00 0.59 C ATOM 1264 O LYS A 82 -4.246 -13.890 -3.993 1.00 0.67 O ATOM 1265 CB LYS A 82 -6.977 -13.279 -4.603 1.00 0.82 C ATOM 1266 CG LYS A 82 -8.311 -13.578 -3.910 1.00 0.90 C ATOM 1267 CD LYS A 82 -9.170 -14.450 -4.829 1.00 0.73 C ATOM 1268 CE LYS A 82 -10.602 -13.911 -4.840 1.00 1.13 C ATOM 1269 NZ LYS A 82 -10.683 -12.662 -5.647 1.00 2.61 N ATOM 0 H LYS A 82 -6.859 -10.471 -3.228 1.00 0.46 H new ATOM 0 HA LYS A 82 -6.354 -12.637 -2.641 1.00 0.66 H new ATOM 0 HB2 LYS A 82 -7.152 -12.759 -5.545 1.00 0.82 H new ATOM 0 HB3 LYS A 82 -6.463 -14.209 -4.844 1.00 0.82 H new ATOM 0 HG2 LYS A 82 -8.136 -14.089 -2.963 1.00 0.90 H new ATOM 0 HG3 LYS A 82 -8.831 -12.648 -3.680 1.00 0.90 H new ATOM 0 HD2 LYS A 82 -8.760 -14.448 -5.839 1.00 0.73 H new ATOM 0 HD3 LYS A 82 -9.160 -15.484 -4.483 1.00 0.73 H new ATOM 0 HE2 LYS A 82 -11.276 -14.662 -5.252 1.00 1.13 H new ATOM 0 HE3 LYS A 82 -10.930 -13.714 -3.820 1.00 1.13 H new ATOM 0 HZ1 LYS A 82 -11.679 -12.449 -5.858 1.00 2.61 H new ATOM 0 HZ2 LYS A 82 -10.267 -11.874 -5.110 1.00 2.61 H new ATOM 0 HZ3 LYS A 82 -10.160 -12.789 -6.537 1.00 2.61 H new ATOM 1283 N GLY A 83 -3.841 -11.708 -4.055 1.00 0.47 N ATOM 1284 CA GLY A 83 -2.384 -11.922 -4.296 1.00 0.46 C ATOM 1285 C GLY A 83 -2.058 -11.732 -5.777 1.00 0.29 C ATOM 1286 O GLY A 83 -1.107 -12.298 -6.282 1.00 0.33 O ATOM 0 H GLY A 83 -4.137 -10.733 -4.004 1.00 0.47 H new ATOM 0 HA2 GLY A 83 -1.803 -11.222 -3.696 1.00 0.46 H new ATOM 0 HA3 GLY A 83 -2.100 -12.926 -3.980 1.00 0.46 H new ATOM 1290 N GLN A 84 -2.858 -10.939 -6.442 1.00 0.22 N ATOM 1291 CA GLN A 84 -2.620 -10.689 -7.897 1.00 0.04 C ATOM 1292 C GLN A 84 -2.702 -9.188 -8.193 1.00 0.09 C ATOM 1293 O GLN A 84 -3.724 -8.565 -7.979 1.00 0.21 O ATOM 1294 CB GLN A 84 -3.680 -11.430 -8.710 1.00 0.18 C ATOM 1295 CG GLN A 84 -3.605 -12.924 -8.385 1.00 1.17 C ATOM 1296 CD GLN A 84 -4.351 -13.716 -9.459 1.00 1.09 C ATOM 1297 OE1 GLN A 84 -4.323 -13.378 -10.626 1.00 0.33 O ATOM 1298 NE2 GLN A 84 -5.029 -14.775 -9.109 1.00 2.15 N ATOM 0 H GLN A 84 -3.663 -10.455 -6.043 1.00 0.22 H new ATOM 0 HA GLN A 84 -1.627 -11.048 -8.168 1.00 0.04 H new ATOM 0 HB2 GLN A 84 -4.672 -11.043 -8.476 1.00 0.18 H new ATOM 0 HB3 GLN A 84 -3.518 -11.268 -9.776 1.00 0.18 H new ATOM 0 HG2 GLN A 84 -2.564 -13.245 -8.338 1.00 1.17 H new ATOM 0 HG3 GLN A 84 -4.043 -13.117 -7.406 1.00 1.17 H new ATOM 0 HE21 GLN A 84 -5.056 -15.063 -8.131 1.00 2.15 H new ATOM 0 HE22 GLN A 84 -5.532 -15.314 -9.814 1.00 2.15 H new ATOM 1307 N LYS A 85 -1.622 -8.639 -8.679 1.00 0.09 N ATOM 1308 CA LYS A 85 -1.616 -7.183 -8.989 1.00 0.08 C ATOM 1309 C LYS A 85 -2.608 -6.882 -10.121 1.00 0.14 C ATOM 1310 O LYS A 85 -2.619 -7.559 -11.130 1.00 0.23 O ATOM 1311 CB LYS A 85 -0.199 -6.775 -9.414 1.00 0.11 C ATOM 1312 CG LYS A 85 -0.074 -5.245 -9.422 1.00 0.09 C ATOM 1313 CD LYS A 85 1.410 -4.861 -9.403 1.00 0.14 C ATOM 1314 CE LYS A 85 2.082 -5.375 -10.680 1.00 0.23 C ATOM 1315 NZ LYS A 85 3.371 -4.664 -10.913 1.00 0.79 N ATOM 0 H LYS A 85 -0.750 -9.132 -8.873 1.00 0.09 H new ATOM 0 HA LYS A 85 -1.915 -6.618 -8.106 1.00 0.08 H new ATOM 0 HB2 LYS A 85 0.533 -7.204 -8.730 1.00 0.11 H new ATOM 0 HB3 LYS A 85 0.021 -7.171 -10.405 1.00 0.11 H new ATOM 0 HG2 LYS A 85 -0.557 -4.833 -10.308 1.00 0.09 H new ATOM 0 HG3 LYS A 85 -0.583 -4.822 -8.556 1.00 0.09 H new ATOM 0 HD2 LYS A 85 1.517 -3.779 -9.333 1.00 0.14 H new ATOM 0 HD3 LYS A 85 1.897 -5.287 -8.526 1.00 0.14 H new ATOM 0 HE2 LYS A 85 2.261 -6.447 -10.598 1.00 0.23 H new ATOM 0 HE3 LYS A 85 1.419 -5.227 -11.532 1.00 0.23 H new ATOM 0 HZ1 LYS A 85 3.806 -5.012 -11.791 1.00 0.79 H new ATOM 0 HZ2 LYS A 85 3.194 -3.642 -10.995 1.00 0.79 H new ATOM 0 HZ3 LYS A 85 4.014 -4.841 -10.115 1.00 0.79 H new ATOM 1329 N VAL A 86 -3.422 -5.872 -9.920 1.00 0.11 N ATOM 1330 CA VAL A 86 -4.429 -5.507 -10.971 1.00 0.18 C ATOM 1331 C VAL A 86 -4.353 -4.007 -11.293 1.00 0.16 C ATOM 1332 O VAL A 86 -4.782 -3.577 -12.345 1.00 0.18 O ATOM 1333 CB VAL A 86 -5.829 -5.847 -10.460 1.00 0.26 C ATOM 1334 CG1 VAL A 86 -6.029 -7.362 -10.515 1.00 0.27 C ATOM 1335 CG2 VAL A 86 -5.968 -5.375 -9.012 1.00 0.25 C ATOM 0 H VAL A 86 -3.434 -5.289 -9.083 1.00 0.11 H new ATOM 0 HA VAL A 86 -4.214 -6.070 -11.879 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.576 -5.352 -11.081 1.00 0.26 H new ATOM 0 HG11 VAL A 86 -7.026 -7.611 -10.152 1.00 0.27 H new ATOM 0 HG12 VAL A 86 -5.921 -7.706 -11.544 1.00 0.27 H new ATOM 0 HG13 VAL A 86 -5.282 -7.851 -9.889 1.00 0.27 H new ATOM 0 HG21 VAL A 86 -6.966 -5.616 -8.645 1.00 0.25 H new ATOM 0 HG22 VAL A 86 -5.223 -5.875 -8.393 1.00 0.25 H new ATOM 0 HG23 VAL A 86 -5.815 -4.297 -8.964 1.00 0.25 H new ATOM 1345 N GLY A 87 -3.812 -3.244 -10.383 1.00 0.13 N ATOM 1346 CA GLY A 87 -3.705 -1.776 -10.628 1.00 0.14 C ATOM 1347 C GLY A 87 -2.419 -1.228 -10.014 1.00 0.16 C ATOM 1348 O GLY A 87 -1.948 -1.727 -9.015 1.00 0.13 O ATOM 0 H GLY A 87 -3.443 -3.568 -9.489 1.00 0.13 H new ATOM 0 HA2 GLY A 87 -3.718 -1.578 -11.700 1.00 0.14 H new ATOM 0 HA3 GLY A 87 -4.567 -1.265 -10.199 1.00 0.14 H new ATOM 1352 N GLU A 88 -1.869 -0.211 -10.627 1.00 0.23 N ATOM 1353 CA GLU A 88 -0.611 0.368 -10.072 1.00 0.26 C ATOM 1354 C GLU A 88 -0.364 1.775 -10.620 1.00 0.24 C ATOM 1355 O GLU A 88 -0.298 1.984 -11.815 1.00 0.24 O ATOM 1356 CB GLU A 88 0.560 -0.541 -10.448 1.00 0.32 C ATOM 1357 CG GLU A 88 1.865 0.258 -10.388 1.00 0.96 C ATOM 1358 CD GLU A 88 3.044 -0.709 -10.254 1.00 1.35 C ATOM 1359 OE1 GLU A 88 3.353 -1.328 -11.258 1.00 0.99 O ATOM 1360 OE2 GLU A 88 3.568 -0.773 -9.154 1.00 2.37 O ATOM 0 H GLU A 88 -2.228 0.235 -11.471 1.00 0.23 H new ATOM 0 HA GLU A 88 -0.704 0.438 -8.988 1.00 0.26 H new ATOM 0 HB2 GLU A 88 0.609 -1.390 -9.766 1.00 0.32 H new ATOM 0 HB3 GLU A 88 0.414 -0.945 -11.450 1.00 0.32 H new ATOM 0 HG2 GLU A 88 1.976 0.863 -11.288 1.00 0.96 H new ATOM 0 HG3 GLU A 88 1.846 0.945 -9.542 1.00 0.96 H new ATOM 1367 N PHE A 89 -0.232 2.707 -9.719 1.00 0.22 N ATOM 1368 CA PHE A 89 0.033 4.106 -10.127 1.00 0.19 C ATOM 1369 C PHE A 89 0.894 4.795 -9.064 1.00 0.22 C ATOM 1370 O PHE A 89 0.615 4.702 -7.882 1.00 0.23 O ATOM 1371 CB PHE A 89 -1.305 4.818 -10.289 1.00 0.11 C ATOM 1372 CG PHE A 89 -1.767 5.423 -8.956 1.00 0.14 C ATOM 1373 CD1 PHE A 89 -1.222 6.609 -8.488 1.00 0.19 C ATOM 1374 CD2 PHE A 89 -2.742 4.790 -8.205 1.00 0.16 C ATOM 1375 CE1 PHE A 89 -1.647 7.147 -7.289 1.00 0.27 C ATOM 1376 CE2 PHE A 89 -3.167 5.330 -7.007 1.00 0.21 C ATOM 1377 CZ PHE A 89 -2.620 6.509 -6.550 1.00 0.27 C ATOM 0 H PHE A 89 -0.297 2.555 -8.713 1.00 0.22 H new ATOM 0 HA PHE A 89 0.575 4.136 -11.072 1.00 0.19 H new ATOM 0 HB2 PHE A 89 -1.215 5.604 -11.038 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -2.054 4.115 -10.653 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.461 7.115 -9.064 1.00 0.19 H new ATOM 0 HD2 PHE A 89 -3.174 3.866 -8.559 1.00 0.16 H new ATOM 0 HE1 PHE A 89 -1.216 8.070 -6.930 1.00 0.27 H new ATOM 0 HE2 PHE A 89 -3.928 4.828 -6.428 1.00 0.21 H new ATOM 0 HZ PHE A 89 -2.953 6.933 -5.614 1.00 0.27 H new ATOM 1387 N SER A 90 1.926 5.467 -9.505 1.00 0.25 N ATOM 1388 CA SER A 90 2.827 6.155 -8.531 1.00 0.30 C ATOM 1389 C SER A 90 2.552 7.659 -8.503 1.00 0.22 C ATOM 1390 O SER A 90 1.888 8.187 -9.372 1.00 0.16 O ATOM 1391 CB SER A 90 4.279 5.912 -8.938 1.00 0.37 C ATOM 1392 OG SER A 90 4.510 6.851 -9.978 1.00 0.22 O ATOM 0 H SER A 90 2.183 5.569 -10.487 1.00 0.25 H new ATOM 0 HA SER A 90 2.641 5.752 -7.535 1.00 0.30 H new ATOM 0 HB2 SER A 90 4.959 6.069 -8.101 1.00 0.37 H new ATOM 0 HB3 SER A 90 4.430 4.889 -9.284 1.00 0.37 H new ATOM 0 HG SER A 90 5.431 6.763 -10.300 1.00 0.22 H new ATOM 1398 N GLY A 91 3.078 8.312 -7.493 1.00 0.26 N ATOM 1399 CA GLY A 91 2.874 9.786 -7.370 1.00 0.26 C ATOM 1400 C GLY A 91 2.224 10.123 -6.029 1.00 0.37 C ATOM 1401 O GLY A 91 1.379 9.397 -5.544 1.00 0.44 O ATOM 0 H GLY A 91 3.637 7.888 -6.753 1.00 0.26 H new ATOM 0 HA2 GLY A 91 3.831 10.301 -7.457 1.00 0.26 H new ATOM 0 HA3 GLY A 91 2.245 10.142 -8.186 1.00 0.26 H new ATOM 1405 N ALA A 92 2.635 11.218 -5.455 1.00 0.40 N ATOM 1406 CA ALA A 92 2.052 11.620 -4.146 1.00 0.51 C ATOM 1407 C ALA A 92 0.670 12.254 -4.347 1.00 0.38 C ATOM 1408 O ALA A 92 0.430 13.371 -3.935 1.00 0.52 O ATOM 1409 CB ALA A 92 2.989 12.623 -3.476 1.00 0.71 C ATOM 0 H ALA A 92 3.344 11.848 -5.832 1.00 0.40 H new ATOM 0 HA ALA A 92 1.937 10.738 -3.516 1.00 0.51 H new ATOM 0 HB1 ALA A 92 2.572 12.925 -2.515 1.00 0.71 H new ATOM 0 HB2 ALA A 92 3.964 12.162 -3.319 1.00 0.71 H new ATOM 0 HB3 ALA A 92 3.101 13.499 -4.115 1.00 0.71 H new ATOM 1415 N ASN A 93 -0.209 11.520 -4.978 1.00 0.30 N ATOM 1416 CA ASN A 93 -1.585 12.055 -5.216 1.00 0.17 C ATOM 1417 C ASN A 93 -2.563 11.451 -4.202 1.00 0.06 C ATOM 1418 O ASN A 93 -2.499 10.275 -3.904 1.00 0.27 O ATOM 1419 CB ASN A 93 -2.025 11.688 -6.633 1.00 0.23 C ATOM 1420 CG ASN A 93 -3.047 12.715 -7.131 1.00 0.18 C ATOM 1421 OD1 ASN A 93 -3.043 13.102 -8.283 1.00 0.21 O ATOM 1422 ND2 ASN A 93 -3.938 13.178 -6.298 1.00 0.16 N ATOM 0 H ASN A 93 -0.037 10.581 -5.337 1.00 0.30 H new ATOM 0 HA ASN A 93 -1.579 13.139 -5.100 1.00 0.17 H new ATOM 0 HB2 ASN A 93 -1.162 11.665 -7.299 1.00 0.23 H new ATOM 0 HB3 ASN A 93 -2.462 10.690 -6.643 1.00 0.23 H new ATOM 0 HD21 ASN A 93 -4.626 13.861 -6.615 1.00 0.16 H new ATOM 0 HD22 ASN A 93 -3.946 12.857 -5.330 1.00 0.16 H new ATOM 1429 N LYS A 94 -3.448 12.271 -3.695 1.00 0.35 N ATOM 1430 CA LYS A 94 -4.432 11.766 -2.691 1.00 0.45 C ATOM 1431 C LYS A 94 -5.802 11.553 -3.342 1.00 0.38 C ATOM 1432 O LYS A 94 -6.343 10.465 -3.314 1.00 0.30 O ATOM 1433 CB LYS A 94 -4.569 12.787 -1.556 1.00 0.83 C ATOM 1434 CG LYS A 94 -3.173 13.149 -1.011 1.00 0.34 C ATOM 1435 CD LYS A 94 -2.421 14.055 -2.004 1.00 1.17 C ATOM 1436 CE LYS A 94 -1.773 15.207 -1.233 1.00 1.13 C ATOM 1437 NZ LYS A 94 -2.817 16.088 -0.638 1.00 0.60 N ATOM 0 H LYS A 94 -3.532 13.260 -3.930 1.00 0.35 H new ATOM 0 HA LYS A 94 -4.074 10.814 -2.299 1.00 0.45 H new ATOM 0 HB2 LYS A 94 -5.072 13.683 -1.919 1.00 0.83 H new ATOM 0 HB3 LYS A 94 -5.187 12.376 -0.757 1.00 0.83 H new ATOM 0 HG2 LYS A 94 -3.272 13.656 -0.051 1.00 0.34 H new ATOM 0 HG3 LYS A 94 -2.599 12.240 -0.834 1.00 0.34 H new ATOM 0 HD2 LYS A 94 -1.661 13.482 -2.535 1.00 1.17 H new ATOM 0 HD3 LYS A 94 -3.109 14.444 -2.755 1.00 1.17 H new ATOM 0 HE2 LYS A 94 -1.131 14.810 -0.446 1.00 1.13 H new ATOM 0 HE3 LYS A 94 -1.136 15.787 -1.901 1.00 1.13 H new ATOM 0 HZ1 LYS A 94 -2.469 17.067 -0.608 1.00 0.60 H new ATOM 0 HZ2 LYS A 94 -3.679 16.045 -1.218 1.00 0.60 H new ATOM 0 HZ3 LYS A 94 -3.033 15.767 0.327 1.00 0.60 H new ATOM 1451 N GLU A 95 -6.331 12.596 -3.914 1.00 0.49 N ATOM 1452 CA GLU A 95 -7.665 12.477 -4.568 1.00 0.58 C ATOM 1453 C GLU A 95 -7.671 11.307 -5.557 1.00 0.51 C ATOM 1454 O GLU A 95 -8.703 10.942 -6.083 1.00 0.67 O ATOM 1455 CB GLU A 95 -7.969 13.776 -5.313 1.00 0.75 C ATOM 1456 CG GLU A 95 -8.523 14.805 -4.325 1.00 0.43 C ATOM 1457 CD GLU A 95 -8.373 16.207 -4.917 1.00 0.84 C ATOM 1458 OE1 GLU A 95 -9.273 16.584 -5.650 1.00 1.65 O ATOM 1459 OE2 GLU A 95 -7.367 16.824 -4.604 1.00 1.62 O ATOM 0 H GLU A 95 -5.902 13.521 -3.958 1.00 0.49 H new ATOM 0 HA GLU A 95 -8.424 12.295 -3.807 1.00 0.58 H new ATOM 0 HB2 GLU A 95 -7.064 14.158 -5.786 1.00 0.75 H new ATOM 0 HB3 GLU A 95 -8.691 13.593 -6.109 1.00 0.75 H new ATOM 0 HG2 GLU A 95 -9.572 14.597 -4.116 1.00 0.43 H new ATOM 0 HG3 GLU A 95 -7.990 14.739 -3.377 1.00 0.43 H new ATOM 1466 N LYS A 96 -6.517 10.746 -5.789 1.00 0.34 N ATOM 1467 CA LYS A 96 -6.438 9.603 -6.749 1.00 0.42 C ATOM 1468 C LYS A 96 -6.761 8.277 -6.043 1.00 0.38 C ATOM 1469 O LYS A 96 -7.535 7.484 -6.541 1.00 0.46 O ATOM 1470 CB LYS A 96 -5.028 9.544 -7.331 1.00 0.44 C ATOM 1471 CG LYS A 96 -4.976 8.472 -8.437 1.00 0.59 C ATOM 1472 CD LYS A 96 -4.677 9.128 -9.798 1.00 0.46 C ATOM 1473 CE LYS A 96 -3.190 9.505 -9.874 1.00 1.73 C ATOM 1474 NZ LYS A 96 -2.850 10.005 -11.235 1.00 1.61 N ATOM 0 H LYS A 96 -5.633 11.023 -5.362 1.00 0.34 H new ATOM 0 HA LYS A 96 -7.168 9.754 -7.545 1.00 0.42 H new ATOM 0 HB2 LYS A 96 -4.750 10.516 -7.738 1.00 0.44 H new ATOM 0 HB3 LYS A 96 -4.308 9.309 -6.547 1.00 0.44 H new ATOM 0 HG2 LYS A 96 -4.208 7.735 -8.204 1.00 0.59 H new ATOM 0 HG3 LYS A 96 -5.926 7.939 -8.482 1.00 0.59 H new ATOM 0 HD2 LYS A 96 -4.930 8.442 -10.607 1.00 0.46 H new ATOM 0 HD3 LYS A 96 -5.295 10.017 -9.928 1.00 0.46 H new ATOM 0 HE2 LYS A 96 -2.964 10.270 -9.132 1.00 1.73 H new ATOM 0 HE3 LYS A 96 -2.576 8.637 -9.634 1.00 1.73 H new ATOM 0 HZ1 LYS A 96 -1.841 10.256 -11.271 1.00 1.61 H new ATOM 0 HZ2 LYS A 96 -3.047 9.263 -11.937 1.00 1.61 H new ATOM 0 HZ3 LYS A 96 -3.424 10.846 -11.449 1.00 1.61 H new ATOM 1488 N LEU A 97 -6.163 8.060 -4.899 1.00 0.28 N ATOM 1489 CA LEU A 97 -6.434 6.784 -4.166 1.00 0.25 C ATOM 1490 C LEU A 97 -7.944 6.547 -4.065 1.00 0.22 C ATOM 1491 O LEU A 97 -8.453 5.570 -4.566 1.00 0.20 O ATOM 1492 CB LEU A 97 -5.848 6.863 -2.748 1.00 0.22 C ATOM 1493 CG LEU A 97 -4.336 7.107 -2.818 1.00 0.11 C ATOM 1494 CD1 LEU A 97 -3.879 7.784 -1.521 1.00 0.28 C ATOM 1495 CD2 LEU A 97 -3.605 5.763 -2.963 1.00 0.39 C ATOM 0 H LEU A 97 -5.509 8.699 -4.446 1.00 0.28 H new ATOM 0 HA LEU A 97 -5.970 5.963 -4.713 1.00 0.25 H new ATOM 0 HB2 LEU A 97 -6.329 7.667 -2.191 1.00 0.22 H new ATOM 0 HB3 LEU A 97 -6.051 5.937 -2.210 1.00 0.22 H new ATOM 0 HG LEU A 97 -4.108 7.742 -3.674 1.00 0.11 H new ATOM 0 HD11 LEU A 97 -2.804 7.961 -1.562 1.00 0.28 H new ATOM 0 HD12 LEU A 97 -4.399 8.735 -1.404 1.00 0.28 H new ATOM 0 HD13 LEU A 97 -4.108 7.138 -0.673 1.00 0.28 H new ATOM 0 HD21 LEU A 97 -2.530 5.937 -3.013 1.00 0.39 H new ATOM 0 HD22 LEU A 97 -3.831 5.131 -2.104 1.00 0.39 H new ATOM 0 HD23 LEU A 97 -3.935 5.266 -3.875 1.00 0.39 H new ATOM 1507 N GLU A 98 -8.624 7.452 -3.414 1.00 0.26 N ATOM 1508 CA GLU A 98 -10.104 7.296 -3.258 1.00 0.24 C ATOM 1509 C GLU A 98 -10.749 6.832 -4.563 1.00 0.17 C ATOM 1510 O GLU A 98 -11.125 5.687 -4.703 1.00 0.21 O ATOM 1511 CB GLU A 98 -10.707 8.640 -2.853 1.00 0.26 C ATOM 1512 CG GLU A 98 -12.227 8.488 -2.730 1.00 0.20 C ATOM 1513 CD GLU A 98 -12.726 9.315 -1.545 1.00 0.67 C ATOM 1514 OE1 GLU A 98 -12.536 10.518 -1.606 1.00 1.17 O ATOM 1515 OE2 GLU A 98 -13.270 8.697 -0.644 1.00 1.71 O ATOM 0 H GLU A 98 -8.225 8.287 -2.986 1.00 0.26 H new ATOM 0 HA GLU A 98 -10.294 6.544 -2.492 1.00 0.24 H new ATOM 0 HB2 GLU A 98 -10.284 8.972 -1.905 1.00 0.26 H new ATOM 0 HB3 GLU A 98 -10.463 9.401 -3.595 1.00 0.26 H new ATOM 0 HG2 GLU A 98 -12.712 8.819 -3.648 1.00 0.20 H new ATOM 0 HG3 GLU A 98 -12.489 7.439 -2.591 1.00 0.20 H new ATOM 1522 N ALA A 99 -10.863 7.732 -5.483 1.00 0.12 N ATOM 1523 CA ALA A 99 -11.499 7.376 -6.787 1.00 0.08 C ATOM 1524 C ALA A 99 -10.956 6.039 -7.306 1.00 0.08 C ATOM 1525 O ALA A 99 -11.713 5.181 -7.715 1.00 0.17 O ATOM 1526 CB ALA A 99 -11.208 8.476 -7.806 1.00 0.13 C ATOM 0 H ALA A 99 -10.548 8.698 -5.399 1.00 0.12 H new ATOM 0 HA ALA A 99 -12.575 7.280 -6.640 1.00 0.08 H new ATOM 0 HB1 ALA A 99 -11.670 8.220 -8.759 1.00 0.13 H new ATOM 0 HB2 ALA A 99 -11.615 9.421 -7.447 1.00 0.13 H new ATOM 0 HB3 ALA A 99 -10.131 8.572 -7.940 1.00 0.13 H new ATOM 1532 N THR A 100 -9.661 5.889 -7.283 1.00 0.11 N ATOM 1533 CA THR A 100 -9.069 4.610 -7.777 1.00 0.20 C ATOM 1534 C THR A 100 -9.700 3.420 -7.044 1.00 0.22 C ATOM 1535 O THR A 100 -10.070 2.440 -7.659 1.00 0.28 O ATOM 1536 CB THR A 100 -7.558 4.624 -7.541 1.00 0.27 C ATOM 1537 OG1 THR A 100 -7.105 5.819 -8.170 1.00 0.41 O ATOM 1538 CG2 THR A 100 -6.866 3.489 -8.288 1.00 0.38 C ATOM 0 H THR A 100 -8.993 6.584 -6.949 1.00 0.11 H new ATOM 0 HA THR A 100 -9.269 4.511 -8.844 1.00 0.20 H new ATOM 0 HB THR A 100 -7.346 4.540 -6.475 1.00 0.27 H new ATOM 0 HG1 THR A 100 -7.109 6.553 -7.520 1.00 0.41 H new ATOM 0 HG21 THR A 100 -5.793 3.529 -8.098 1.00 0.38 H new ATOM 0 HG22 THR A 100 -7.260 2.533 -7.943 1.00 0.38 H new ATOM 0 HG23 THR A 100 -7.049 3.592 -9.358 1.00 0.38 H new ATOM 1546 N ILE A 101 -9.805 3.525 -5.745 1.00 0.17 N ATOM 1547 CA ILE A 101 -10.427 2.409 -4.978 1.00 0.18 C ATOM 1548 C ILE A 101 -11.839 2.193 -5.489 1.00 0.15 C ATOM 1549 O ILE A 101 -12.304 1.077 -5.604 1.00 0.21 O ATOM 1550 CB ILE A 101 -10.462 2.764 -3.489 1.00 0.17 C ATOM 1551 CG1 ILE A 101 -9.080 2.511 -2.880 1.00 0.23 C ATOM 1552 CG2 ILE A 101 -11.492 1.883 -2.783 1.00 0.19 C ATOM 1553 CD1 ILE A 101 -8.800 3.571 -1.814 1.00 0.34 C ATOM 0 H ILE A 101 -9.492 4.322 -5.191 1.00 0.17 H new ATOM 0 HA ILE A 101 -9.844 1.497 -5.110 1.00 0.18 H new ATOM 0 HB ILE A 101 -10.733 3.813 -3.367 1.00 0.17 H new ATOM 0 HG12 ILE A 101 -9.040 1.515 -2.439 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -8.315 2.547 -3.656 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -11.519 2.133 -1.723 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -12.476 2.051 -3.221 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -11.217 0.835 -2.901 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -7.817 3.396 -1.376 1.00 0.34 H new ATOM 0 HD12 ILE A 101 -8.823 4.561 -2.270 1.00 0.34 H new ATOM 0 HD13 ILE A 101 -9.560 3.513 -1.035 1.00 0.34 H new ATOM 1565 N ASN A 102 -12.486 3.272 -5.790 1.00 0.10 N ATOM 1566 CA ASN A 102 -13.869 3.175 -6.319 1.00 0.15 C ATOM 1567 C ASN A 102 -13.827 2.475 -7.673 1.00 0.24 C ATOM 1568 O ASN A 102 -14.840 2.058 -8.198 1.00 0.30 O ATOM 1569 CB ASN A 102 -14.433 4.583 -6.488 1.00 0.15 C ATOM 1570 CG ASN A 102 -15.893 4.607 -6.044 1.00 0.71 C ATOM 1571 OD1 ASN A 102 -16.579 3.603 -6.063 1.00 0.69 O ATOM 1572 ND2 ASN A 102 -16.407 5.734 -5.637 1.00 1.30 N ATOM 0 H ASN A 102 -12.120 4.219 -5.694 1.00 0.10 H new ATOM 0 HA ASN A 102 -14.500 2.610 -5.633 1.00 0.15 H new ATOM 0 HB2 ASN A 102 -13.851 5.292 -5.898 1.00 0.15 H new ATOM 0 HB3 ASN A 102 -14.354 4.895 -7.530 1.00 0.15 H new ATOM 0 HD21 ASN A 102 -17.381 5.771 -5.336 1.00 1.30 H new ATOM 0 HD22 ASN A 102 -15.835 6.578 -5.619 1.00 1.30 H new ATOM 1579 N GLU A 103 -12.642 2.367 -8.206 1.00 0.25 N ATOM 1580 CA GLU A 103 -12.487 1.700 -9.526 1.00 0.33 C ATOM 1581 C GLU A 103 -12.555 0.178 -9.369 1.00 0.33 C ATOM 1582 O GLU A 103 -13.278 -0.487 -10.085 1.00 0.39 O ATOM 1583 CB GLU A 103 -11.133 2.087 -10.119 1.00 0.37 C ATOM 1584 CG GLU A 103 -11.223 2.035 -11.644 1.00 0.47 C ATOM 1585 CD GLU A 103 -9.811 2.021 -12.233 1.00 0.85 C ATOM 1586 OE1 GLU A 103 -9.181 3.063 -12.153 1.00 1.29 O ATOM 1587 OE2 GLU A 103 -9.441 0.969 -12.727 1.00 2.07 O ATOM 0 H GLU A 103 -11.778 2.710 -7.786 1.00 0.25 H new ATOM 0 HA GLU A 103 -13.294 2.020 -10.185 1.00 0.33 H new ATOM 0 HB2 GLU A 103 -10.852 3.088 -9.793 1.00 0.37 H new ATOM 0 HB3 GLU A 103 -10.359 1.407 -9.764 1.00 0.37 H new ATOM 0 HG2 GLU A 103 -11.769 1.145 -11.958 1.00 0.47 H new ATOM 0 HG3 GLU A 103 -11.777 2.897 -12.017 1.00 0.47 H new ATOM 1594 N LEU A 104 -11.798 -0.345 -8.433 1.00 0.29 N ATOM 1595 CA LEU A 104 -11.798 -1.828 -8.233 1.00 0.30 C ATOM 1596 C LEU A 104 -12.707 -2.229 -7.060 1.00 0.25 C ATOM 1597 O LEU A 104 -12.813 -3.395 -6.734 1.00 0.20 O ATOM 1598 CB LEU A 104 -10.369 -2.303 -7.942 1.00 0.31 C ATOM 1599 CG LEU A 104 -9.390 -1.668 -8.940 1.00 0.36 C ATOM 1600 CD1 LEU A 104 -8.030 -2.355 -8.811 1.00 0.44 C ATOM 1601 CD2 LEU A 104 -9.911 -1.863 -10.369 1.00 0.43 C ATOM 0 H LEU A 104 -11.189 0.183 -7.808 1.00 0.29 H new ATOM 0 HA LEU A 104 -12.176 -2.295 -9.143 1.00 0.30 H new ATOM 0 HB2 LEU A 104 -10.088 -2.034 -6.924 1.00 0.31 H new ATOM 0 HB3 LEU A 104 -10.317 -3.390 -8.011 1.00 0.31 H new ATOM 0 HG LEU A 104 -9.295 -0.603 -8.728 1.00 0.36 H new ATOM 0 HD11 LEU A 104 -7.329 -1.910 -9.517 1.00 0.44 H new ATOM 0 HD12 LEU A 104 -7.653 -2.228 -7.796 1.00 0.44 H new ATOM 0 HD13 LEU A 104 -8.137 -3.418 -9.028 1.00 0.44 H new ATOM 0 HD21 LEU A 104 -9.214 -1.411 -11.075 1.00 0.43 H new ATOM 0 HD22 LEU A 104 -10.003 -2.928 -10.581 1.00 0.43 H new ATOM 0 HD23 LEU A 104 -10.887 -1.388 -10.468 1.00 0.43 H new ATOM 1613 N VAL A 105 -13.341 -1.265 -6.444 1.00 0.27 N ATOM 1614 CA VAL A 105 -14.235 -1.611 -5.296 1.00 0.23 C ATOM 1615 C VAL A 105 -15.171 -2.760 -5.690 1.00 0.18 C ATOM 1616 O VAL A 105 -15.454 -3.553 -4.808 1.00 1.13 O ATOM 1617 CB VAL A 105 -15.065 -0.386 -4.913 1.00 0.29 C ATOM 1618 CG1 VAL A 105 -16.073 -0.094 -6.023 1.00 0.30 C ATOM 1619 CG2 VAL A 105 -15.819 -0.666 -3.609 1.00 0.34 C ATOM 1620 OXT VAL A 105 -15.549 -2.775 -6.850 1.00 1.28 O ATOM 0 H VAL A 105 -13.282 -0.274 -6.678 1.00 0.27 H new ATOM 0 HA VAL A 105 -13.626 -1.922 -4.447 1.00 0.23 H new ATOM 0 HB VAL A 105 -14.406 0.472 -4.777 1.00 0.29 H new ATOM 0 HG11 VAL A 105 -16.667 0.779 -5.754 1.00 0.30 H new ATOM 0 HG12 VAL A 105 -15.542 0.101 -6.955 1.00 0.30 H new ATOM 0 HG13 VAL A 105 -16.730 -0.954 -6.153 1.00 0.30 H new ATOM 0 HG21 VAL A 105 -16.411 0.208 -3.336 1.00 0.34 H new ATOM 0 HG22 VAL A 105 -16.479 -1.523 -3.747 1.00 0.34 H new ATOM 0 HG23 VAL A 105 -15.104 -0.883 -2.815 1.00 0.34 H new TER 1630 VAL A 105