USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 955 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 37 ASN : amide:sc= -0.0985 K(o=-1.3,f=-4.4) USER MOD Set 1.2: A 60 MET CE :methyl -171:sc= -1.21 (180deg=-1.52) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0512 (180deg=-0.233) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -50:sc= -0.31 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -130:sc= -0.0842 USER MOD Single : A 35 ASN : amide:sc= -2.03 K(o=-2,f=-2.8!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc=-0.00659 (180deg=-0.00659) USER MOD Single : A 47 THR OG1 : rot -2:sc= 0.533 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0441 USER MOD Single : A 57 MET CE :methyl -138:sc= -2.64 (180deg=-5.67!) USER MOD Single : A 67 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00656) USER MOD Single : A 68 GLN :FLIP amide:sc= -1.07 F(o=-3.7!,f=-1.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc=-0.00645 X(o=-0.0065,f=-0.15) USER MOD Single : A 73 HIS : no HD1:sc= -6.94! C(o=-6.9!,f=-7!) USER MOD Single : A 75 MET CE :methyl 156:sc= -0.0142 (180deg=-0.139) USER MOD Single : A 81 MET CE :methyl -140:sc= -3.62 (180deg=-7.29!) USER MOD Single : A 82 THR OG1 : rot 31:sc= 0.266 USER MOD Single : A 84 HIS : no HD1:sc= -0.464 X(o=-0.46,f=-0.0082) USER MOD Single : A 85 SER OG : rot -140:sc= -0.316 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.3) USER MOD Single : A 96 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.1!) USER MOD Single : A 101 TYR OH : rot -118:sc= 0.0108 USER MOD Single : A 104 LYS NZ :NH3+ -173:sc= -1.09 (180deg=-1.19) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.0129 X(o=-0.013,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.303 -3.176 -0.243 1.00 60.52 N ATOM 2 CA MET A 1 0.288 -2.208 -0.641 1.00 73.44 C ATOM 3 C MET A 1 0.805 -0.782 -0.484 1.00 30.12 C ATOM 4 O MET A 1 1.724 -0.529 0.295 1.00 53.22 O ATOM 5 CB MET A 1 -0.982 -2.398 0.190 1.00 12.45 C ATOM 6 CG MET A 1 -1.744 -3.670 -0.144 1.00 41.21 C ATOM 7 SD MET A 1 -3.018 -3.408 -1.393 1.00 33.45 S ATOM 8 CE MET A 1 -2.746 -4.824 -2.456 1.00 13.13 C ATOM 0 H1 MET A 1 1.653 -3.678 -1.084 1.00 60.52 H new ATOM 0 H2 MET A 1 2.093 -2.681 0.219 1.00 60.52 H new ATOM 0 H3 MET A 1 0.888 -3.861 0.421 1.00 60.52 H new ATOM 0 HA MET A 1 0.054 -2.376 -1.692 1.00 73.44 H new ATOM 0 HB2 MET A 1 -0.716 -2.411 1.247 1.00 12.45 H new ATOM 0 HB3 MET A 1 -1.638 -1.541 0.037 1.00 12.45 H new ATOM 0 HG2 MET A 1 -1.043 -4.426 -0.498 1.00 41.21 H new ATOM 0 HG3 MET A 1 -2.205 -4.062 0.763 1.00 41.21 H new ATOM 0 HE1 MET A 1 -3.460 -4.803 -3.279 1.00 13.13 H new ATOM 0 HE2 MET A 1 -1.732 -4.791 -2.854 1.00 13.13 H new ATOM 0 HE3 MET A 1 -2.880 -5.741 -1.882 1.00 13.13 H new ATOM 18 N GLN A 2 0.209 0.144 -1.228 1.00 3.44 N ATOM 19 CA GLN A 2 0.612 1.545 -1.170 1.00 73.30 C ATOM 20 C GLN A 2 -0.564 2.433 -0.776 1.00 4.11 C ATOM 21 O GLN A 2 -1.681 1.952 -0.585 1.00 3.54 O ATOM 22 CB GLN A 2 1.174 1.992 -2.521 1.00 31.44 C ATOM 23 CG GLN A 2 0.334 1.545 -3.707 1.00 5.32 C ATOM 24 CD GLN A 2 0.849 2.091 -5.024 1.00 40.02 C ATOM 25 OE1 GLN A 2 1.872 1.639 -5.539 1.00 42.23 O ATOM 26 NE2 GLN A 2 0.141 3.068 -5.578 1.00 14.34 N ATOM 0 H GLN A 2 -0.554 -0.050 -1.877 1.00 3.44 H new ATOM 0 HA GLN A 2 1.388 1.643 -0.411 1.00 73.30 H new ATOM 0 HB2 GLN A 2 1.252 3.079 -2.531 1.00 31.44 H new ATOM 0 HB3 GLN A 2 2.184 1.599 -2.633 1.00 31.44 H new ATOM 0 HG2 GLN A 2 0.322 0.456 -3.749 1.00 5.32 H new ATOM 0 HG3 GLN A 2 -0.696 1.870 -3.561 1.00 5.32 H new ATOM 0 HE21 GLN A 2 -0.701 3.413 -5.117 1.00 14.34 H new ATOM 0 HE22 GLN A 2 0.439 3.474 -6.465 1.00 14.34 H new ATOM 35 N ARG A 3 -0.304 3.731 -0.656 1.00 63.01 N ATOM 36 CA ARG A 3 -1.340 4.686 -0.283 1.00 41.31 C ATOM 37 C ARG A 3 -1.872 4.392 1.117 1.00 50.45 C ATOM 38 O ARG A 3 -1.676 3.301 1.650 1.00 50.32 O ATOM 39 CB ARG A 3 -2.487 4.648 -1.295 1.00 22.02 C ATOM 40 CG ARG A 3 -3.432 5.834 -1.189 1.00 63.25 C ATOM 41 CD ARG A 3 -4.707 5.466 -0.448 1.00 73.40 C ATOM 42 NE ARG A 3 -5.866 5.428 -1.337 1.00 4.02 N ATOM 43 CZ ARG A 3 -7.066 5.002 -0.961 1.00 73.55 C ATOM 44 NH1 ARG A 3 -7.265 4.579 0.279 1.00 15.14 N ATOM 45 NH2 ARG A 3 -8.071 4.998 -1.828 1.00 71.52 N ATOM 0 H ARG A 3 0.615 4.145 -0.812 1.00 63.01 H new ATOM 0 HA ARG A 3 -0.898 5.682 -0.283 1.00 41.31 H new ATOM 0 HB2 ARG A 3 -2.071 4.615 -2.302 1.00 22.02 H new ATOM 0 HB3 ARG A 3 -3.055 3.728 -1.154 1.00 22.02 H new ATOM 0 HG2 ARG A 3 -2.933 6.653 -0.672 1.00 63.25 H new ATOM 0 HG3 ARG A 3 -3.681 6.193 -2.188 1.00 63.25 H new ATOM 0 HD2 ARG A 3 -4.582 4.493 0.027 1.00 73.40 H new ATOM 0 HD3 ARG A 3 -4.885 6.189 0.348 1.00 73.40 H new ATOM 0 HE ARG A 3 -5.747 5.746 -2.299 1.00 4.02 H new ATOM 0 HH11 ARG A 3 -6.495 4.580 0.948 1.00 15.14 H new ATOM 0 HH12 ARG A 3 -8.188 4.252 0.564 1.00 15.14 H new ATOM 0 HH21 ARG A 3 -7.922 5.322 -2.783 1.00 71.52 H new ATOM 0 HH22 ARG A 3 -8.993 4.671 -1.539 1.00 71.52 H new ATOM 59 N GLY A 4 -2.546 5.375 1.706 1.00 12.13 N ATOM 60 CA GLY A 4 -3.095 5.203 3.039 1.00 74.55 C ATOM 61 C GLY A 4 -3.595 6.504 3.633 1.00 41.41 C ATOM 62 O GLY A 4 -3.417 7.571 3.045 1.00 41.44 O ATOM 0 H GLY A 4 -2.722 6.287 1.284 1.00 12.13 H new ATOM 0 HA2 GLY A 4 -3.915 4.486 3.001 1.00 74.55 H new ATOM 0 HA3 GLY A 4 -2.331 4.779 3.691 1.00 74.55 H new ATOM 66 N ILE A 5 -4.223 6.417 4.801 1.00 50.35 N ATOM 67 CA ILE A 5 -4.750 7.598 5.474 1.00 72.24 C ATOM 68 C ILE A 5 -3.630 8.415 6.108 1.00 40.32 C ATOM 69 O ILE A 5 -2.651 7.863 6.609 1.00 64.21 O ATOM 70 CB ILE A 5 -5.771 7.216 6.562 1.00 54.43 C ATOM 71 CG1 ILE A 5 -6.900 6.377 5.960 1.00 32.45 C ATOM 72 CG2 ILE A 5 -6.330 8.466 7.226 1.00 45.34 C ATOM 73 CD1 ILE A 5 -7.956 5.974 6.967 1.00 42.55 C ATOM 0 H ILE A 5 -4.379 5.542 5.301 1.00 50.35 H new ATOM 0 HA ILE A 5 -5.249 8.199 4.714 1.00 72.24 H new ATOM 0 HB ILE A 5 -5.265 6.620 7.321 1.00 54.43 H new ATOM 0 HG12 ILE A 5 -7.373 6.942 5.156 1.00 32.45 H new ATOM 0 HG13 ILE A 5 -6.475 5.479 5.512 1.00 32.45 H new ATOM 0 HG21 ILE A 5 -7.050 8.180 7.993 1.00 45.34 H new ATOM 0 HG22 ILE A 5 -5.517 9.029 7.684 1.00 45.34 H new ATOM 0 HG23 ILE A 5 -6.824 9.086 6.478 1.00 45.34 H new ATOM 0 HD11 ILE A 5 -8.725 5.382 6.471 1.00 42.55 H new ATOM 0 HD12 ILE A 5 -7.497 5.382 7.759 1.00 42.55 H new ATOM 0 HD13 ILE A 5 -8.408 6.868 7.398 1.00 42.55 H new ATOM 85 N VAL A 6 -3.782 9.736 6.084 1.00 62.31 N ATOM 86 CA VAL A 6 -2.785 10.630 6.659 1.00 4.41 C ATOM 87 C VAL A 6 -3.429 11.633 7.610 1.00 70.21 C ATOM 88 O VAL A 6 -4.044 12.608 7.177 1.00 63.50 O ATOM 89 CB VAL A 6 -2.020 11.397 5.564 1.00 60.04 C ATOM 90 CG1 VAL A 6 -1.047 12.388 6.185 1.00 72.31 C ATOM 91 CG2 VAL A 6 -1.292 10.427 4.645 1.00 52.43 C ATOM 0 H VAL A 6 -4.586 10.210 5.672 1.00 62.31 H new ATOM 0 HA VAL A 6 -2.084 10.006 7.213 1.00 4.41 H new ATOM 0 HB VAL A 6 -2.740 11.958 4.967 1.00 60.04 H new ATOM 0 HG11 VAL A 6 -0.516 12.920 5.396 1.00 72.31 H new ATOM 0 HG12 VAL A 6 -1.597 13.102 6.798 1.00 72.31 H new ATOM 0 HG13 VAL A 6 -0.330 11.853 6.807 1.00 72.31 H new ATOM 0 HG21 VAL A 6 -0.757 10.985 3.877 1.00 52.43 H new ATOM 0 HG22 VAL A 6 -0.583 9.838 5.226 1.00 52.43 H new ATOM 0 HG23 VAL A 6 -2.015 9.762 4.172 1.00 52.43 H new ATOM 101 N TRP A 7 -3.284 11.387 8.907 1.00 63.11 N ATOM 102 CA TRP A 7 -3.852 12.269 9.920 1.00 4.02 C ATOM 103 C TRP A 7 -2.781 13.179 10.512 1.00 63.21 C ATOM 104 O TRP A 7 -1.778 12.707 11.048 1.00 71.40 O ATOM 105 CB TRP A 7 -4.510 11.448 11.030 1.00 75.45 C ATOM 106 CG TRP A 7 -5.806 10.819 10.614 1.00 40.04 C ATOM 107 CD1 TRP A 7 -6.401 10.903 9.388 1.00 55.45 C ATOM 108 CD2 TRP A 7 -6.666 10.012 11.425 1.00 72.20 C ATOM 109 NE1 TRP A 7 -7.580 10.197 9.388 1.00 52.22 N ATOM 110 CE2 TRP A 7 -7.765 9.640 10.626 1.00 41.25 C ATOM 111 CE3 TRP A 7 -6.614 9.565 12.748 1.00 14.10 C ATOM 112 CZ2 TRP A 7 -8.801 8.845 11.108 1.00 62.11 C ATOM 113 CZ3 TRP A 7 -7.644 8.776 13.225 1.00 4.14 C ATOM 114 CH2 TRP A 7 -8.724 8.422 12.407 1.00 34.31 C ATOM 0 H TRP A 7 -2.778 10.584 9.282 1.00 63.11 H new ATOM 0 HA TRP A 7 -4.608 12.891 9.441 1.00 4.02 H new ATOM 0 HB2 TRP A 7 -3.821 10.666 11.351 1.00 75.45 H new ATOM 0 HB3 TRP A 7 -4.687 12.091 11.892 1.00 75.45 H new ATOM 0 HD1 TRP A 7 -6.003 11.445 8.542 1.00 55.45 H new ATOM 0 HE1 TRP A 7 -8.214 10.103 8.595 1.00 52.22 H new ATOM 0 HE3 TRP A 7 -5.784 9.831 13.386 1.00 14.10 H new ATOM 0 HZ2 TRP A 7 -9.636 8.572 10.479 1.00 62.11 H new ATOM 0 HZ3 TRP A 7 -7.615 8.426 14.246 1.00 4.14 H new ATOM 0 HH2 TRP A 7 -9.512 7.803 12.809 1.00 34.31 H new ATOM 125 N VAL A 8 -2.999 14.486 10.412 1.00 53.13 N ATOM 126 CA VAL A 8 -2.053 15.462 10.939 1.00 41.14 C ATOM 127 C VAL A 8 -2.750 16.470 11.845 1.00 34.23 C ATOM 128 O VAL A 8 -3.535 17.298 11.383 1.00 1.41 O ATOM 129 CB VAL A 8 -1.337 16.219 9.804 1.00 23.41 C ATOM 130 CG1 VAL A 8 -0.182 17.041 10.356 1.00 60.40 C ATOM 131 CG2 VAL A 8 -0.849 15.246 8.741 1.00 53.13 C ATOM 0 H VAL A 8 -3.823 14.894 9.970 1.00 53.13 H new ATOM 0 HA VAL A 8 -1.315 14.906 11.518 1.00 41.14 H new ATOM 0 HB VAL A 8 -2.049 16.902 9.340 1.00 23.41 H new ATOM 0 HG11 VAL A 8 0.312 17.569 9.540 1.00 60.40 H new ATOM 0 HG12 VAL A 8 -0.562 17.764 11.078 1.00 60.40 H new ATOM 0 HG13 VAL A 8 0.533 16.380 10.846 1.00 60.40 H new ATOM 0 HG21 VAL A 8 -0.346 15.797 7.947 1.00 53.13 H new ATOM 0 HG22 VAL A 8 -0.152 14.537 9.189 1.00 53.13 H new ATOM 0 HG23 VAL A 8 -1.699 14.705 8.325 1.00 53.13 H new ATOM 141 N VAL A 9 -2.459 16.394 13.140 1.00 21.30 N ATOM 142 CA VAL A 9 -3.057 17.300 14.113 1.00 44.31 C ATOM 143 C VAL A 9 -2.078 18.398 14.515 1.00 61.01 C ATOM 144 O VAL A 9 -1.044 18.129 15.127 1.00 70.55 O ATOM 145 CB VAL A 9 -3.513 16.547 15.376 1.00 22.53 C ATOM 146 CG1 VAL A 9 -2.342 15.813 16.012 1.00 20.05 C ATOM 147 CG2 VAL A 9 -4.153 17.507 16.367 1.00 22.02 C ATOM 0 H VAL A 9 -1.812 15.714 13.539 1.00 21.30 H new ATOM 0 HA VAL A 9 -3.927 17.749 13.634 1.00 44.31 H new ATOM 0 HB VAL A 9 -4.260 15.808 15.087 1.00 22.53 H new ATOM 0 HG11 VAL A 9 -2.683 15.287 16.903 1.00 20.05 H new ATOM 0 HG12 VAL A 9 -1.933 15.095 15.301 1.00 20.05 H new ATOM 0 HG13 VAL A 9 -1.569 16.531 16.288 1.00 20.05 H new ATOM 0 HG21 VAL A 9 -4.469 16.957 17.254 1.00 22.02 H new ATOM 0 HG22 VAL A 9 -3.430 18.271 16.652 1.00 22.02 H new ATOM 0 HG23 VAL A 9 -5.019 17.982 15.906 1.00 22.02 H new ATOM 157 N ASP A 10 -2.411 19.636 14.168 1.00 52.14 N ATOM 158 CA ASP A 10 -1.562 20.776 14.494 1.00 55.34 C ATOM 159 C ASP A 10 -2.356 22.078 14.436 1.00 45.22 C ATOM 160 O ASP A 10 -3.429 22.137 13.836 1.00 61.34 O ATOM 161 CB ASP A 10 -0.374 20.846 13.533 1.00 20.44 C ATOM 162 CG ASP A 10 -0.801 20.795 12.080 1.00 65.45 C ATOM 163 OD1 ASP A 10 -1.066 21.869 11.502 1.00 42.15 O ATOM 164 OD2 ASP A 10 -0.870 19.680 11.520 1.00 41.11 O ATOM 0 H ASP A 10 -3.263 19.876 13.661 1.00 52.14 H new ATOM 0 HA ASP A 10 -1.190 20.642 15.510 1.00 55.34 H new ATOM 0 HB2 ASP A 10 0.182 21.766 13.713 1.00 20.44 H new ATOM 0 HB3 ASP A 10 0.305 20.018 13.738 1.00 20.44 H new ATOM 169 N ASP A 11 -1.820 23.119 15.064 1.00 15.21 N ATOM 170 CA ASP A 11 -2.478 24.421 15.084 1.00 30.44 C ATOM 171 C ASP A 11 -1.742 25.415 14.192 1.00 2.44 C ATOM 172 O ASP A 11 -0.969 26.243 14.675 1.00 11.41 O ATOM 173 CB ASP A 11 -2.551 24.957 16.515 1.00 33.40 C ATOM 174 CG ASP A 11 -3.207 26.322 16.589 1.00 21.40 C ATOM 175 OD1 ASP A 11 -3.983 26.658 15.670 1.00 33.12 O ATOM 176 OD2 ASP A 11 -2.944 27.053 17.566 1.00 13.21 O ATOM 0 H ASP A 11 -0.932 23.087 15.566 1.00 15.21 H new ATOM 0 HA ASP A 11 -3.490 24.296 14.699 1.00 30.44 H new ATOM 0 HB2 ASP A 11 -3.109 24.255 17.135 1.00 33.40 H new ATOM 0 HB3 ASP A 11 -1.544 25.018 16.929 1.00 33.40 H new ATOM 181 N ASP A 12 -1.986 25.327 12.890 1.00 50.24 N ATOM 182 CA ASP A 12 -1.346 26.219 11.930 1.00 54.33 C ATOM 183 C ASP A 12 -1.802 25.905 10.508 1.00 22.41 C ATOM 184 O ASP A 12 -1.740 24.758 10.066 1.00 71.44 O ATOM 185 CB ASP A 12 0.175 26.103 12.028 1.00 25.15 C ATOM 186 CG ASP A 12 0.842 27.438 12.296 1.00 1.01 C ATOM 187 OD1 ASP A 12 0.872 27.862 13.471 1.00 72.14 O ATOM 188 OD2 ASP A 12 1.335 28.059 11.331 1.00 32.42 O ATOM 0 H ASP A 12 -2.623 24.647 12.474 1.00 50.24 H new ATOM 0 HA ASP A 12 -1.640 27.241 12.170 1.00 54.33 H new ATOM 0 HB2 ASP A 12 0.433 25.405 12.825 1.00 25.15 H new ATOM 0 HB3 ASP A 12 0.565 25.685 11.100 1.00 25.15 H new ATOM 193 N SER A 13 -2.260 26.931 9.798 1.00 20.41 N ATOM 194 CA SER A 13 -2.731 26.763 8.428 1.00 23.42 C ATOM 195 C SER A 13 -1.557 26.638 7.462 1.00 43.02 C ATOM 196 O SER A 13 -1.696 26.096 6.365 1.00 3.04 O ATOM 197 CB SER A 13 -3.617 27.942 8.023 1.00 43.13 C ATOM 198 OG SER A 13 -4.001 27.847 6.662 1.00 43.40 O ATOM 0 H SER A 13 -2.315 27.887 10.149 1.00 20.41 H new ATOM 0 HA SER A 13 -3.317 25.845 8.381 1.00 23.42 H new ATOM 0 HB2 SER A 13 -4.505 27.967 8.654 1.00 43.13 H new ATOM 0 HB3 SER A 13 -3.082 28.877 8.189 1.00 43.13 H new ATOM 0 HG SER A 13 -4.568 28.611 6.428 1.00 43.40 H new ATOM 204 N SER A 14 -0.400 27.144 7.877 1.00 10.24 N ATOM 205 CA SER A 14 0.798 27.094 7.048 1.00 24.22 C ATOM 206 C SER A 14 1.283 25.657 6.880 1.00 32.23 C ATOM 207 O SER A 14 1.849 25.298 5.848 1.00 42.15 O ATOM 208 CB SER A 14 1.907 27.949 7.665 1.00 41.04 C ATOM 209 OG SER A 14 2.668 28.599 6.661 1.00 72.41 O ATOM 0 H SER A 14 -0.267 27.593 8.783 1.00 10.24 H new ATOM 0 HA SER A 14 0.546 27.492 6.065 1.00 24.22 H new ATOM 0 HB2 SER A 14 1.469 28.692 8.332 1.00 41.04 H new ATOM 0 HB3 SER A 14 2.560 27.321 8.271 1.00 41.04 H new ATOM 0 HG SER A 14 3.369 29.140 7.081 1.00 72.41 H new ATOM 215 N ILE A 15 1.056 24.839 7.903 1.00 52.50 N ATOM 216 CA ILE A 15 1.468 23.442 7.869 1.00 34.31 C ATOM 217 C ILE A 15 0.399 22.569 7.218 1.00 4.53 C ATOM 218 O ILE A 15 0.710 21.574 6.563 1.00 3.44 O ATOM 219 CB ILE A 15 1.760 22.906 9.283 1.00 11.43 C ATOM 220 CG1 ILE A 15 2.661 23.881 10.045 1.00 62.42 C ATOM 221 CG2 ILE A 15 2.404 21.530 9.206 1.00 1.31 C ATOM 222 CD1 ILE A 15 3.977 24.154 9.351 1.00 41.50 C ATOM 0 H ILE A 15 0.589 25.120 8.765 1.00 52.50 H new ATOM 0 HA ILE A 15 2.382 23.397 7.276 1.00 34.31 H new ATOM 0 HB ILE A 15 0.817 22.814 9.823 1.00 11.43 H new ATOM 0 HG12 ILE A 15 2.130 24.823 10.183 1.00 62.42 H new ATOM 0 HG13 ILE A 15 2.860 23.479 11.039 1.00 62.42 H new ATOM 0 HG21 ILE A 15 2.604 21.165 10.213 1.00 1.31 H new ATOM 0 HG22 ILE A 15 1.730 20.841 8.698 1.00 1.31 H new ATOM 0 HG23 ILE A 15 3.340 21.597 8.652 1.00 1.31 H new ATOM 0 HD11 ILE A 15 4.564 24.853 9.947 1.00 41.50 H new ATOM 0 HD12 ILE A 15 4.529 23.221 9.237 1.00 41.50 H new ATOM 0 HD13 ILE A 15 3.787 24.585 8.368 1.00 41.50 H new ATOM 234 N ARG A 16 -0.860 22.951 7.402 1.00 75.33 N ATOM 235 CA ARG A 16 -1.975 22.204 6.832 1.00 73.22 C ATOM 236 C ARG A 16 -2.014 22.358 5.314 1.00 0.02 C ATOM 237 O ARG A 16 -2.238 21.390 4.588 1.00 64.23 O ATOM 238 CB ARG A 16 -3.298 22.679 7.437 1.00 24.32 C ATOM 239 CG ARG A 16 -3.343 22.581 8.953 1.00 31.03 C ATOM 240 CD ARG A 16 -4.351 21.539 9.414 1.00 5.34 C ATOM 241 NE ARG A 16 -5.698 22.092 9.523 1.00 31.41 N ATOM 242 CZ ARG A 16 -6.055 22.984 10.440 1.00 42.21 C ATOM 243 NH1 ARG A 16 -5.168 23.423 11.322 1.00 12.45 N ATOM 244 NH2 ARG A 16 -7.301 23.440 10.475 1.00 65.32 N ATOM 0 H ARG A 16 -1.134 23.773 7.941 1.00 75.33 H new ATOM 0 HA ARG A 16 -1.832 21.150 7.070 1.00 73.22 H new ATOM 0 HB2 ARG A 16 -3.472 23.714 7.143 1.00 24.32 H new ATOM 0 HB3 ARG A 16 -4.112 22.088 7.019 1.00 24.32 H new ATOM 0 HG2 ARG A 16 -2.354 22.324 9.332 1.00 31.03 H new ATOM 0 HG3 ARG A 16 -3.603 23.552 9.374 1.00 31.03 H new ATOM 0 HD2 ARG A 16 -4.357 20.705 8.712 1.00 5.34 H new ATOM 0 HD3 ARG A 16 -4.044 21.140 10.381 1.00 5.34 H new ATOM 0 HE ARG A 16 -6.404 21.776 8.858 1.00 31.41 H new ATOM 0 HH11 ARG A 16 -4.209 23.076 11.297 1.00 12.45 H new ATOM 0 HH12 ARG A 16 -5.444 24.108 12.025 1.00 12.45 H new ATOM 0 HH21 ARG A 16 -7.986 23.105 9.797 1.00 65.32 H new ATOM 0 HH22 ARG A 16 -7.574 24.125 11.180 1.00 65.32 H new ATOM 258 N TRP A 17 -1.795 23.580 4.844 1.00 53.44 N ATOM 259 CA TRP A 17 -1.806 23.861 3.412 1.00 3.34 C ATOM 260 C TRP A 17 -0.786 22.996 2.680 1.00 5.44 C ATOM 261 O TRP A 17 -1.141 22.204 1.808 1.00 50.01 O ATOM 262 CB TRP A 17 -1.513 25.341 3.160 1.00 3.21 C ATOM 263 CG TRP A 17 -1.105 25.634 1.748 1.00 73.33 C ATOM 264 CD1 TRP A 17 -1.908 25.617 0.643 1.00 61.41 C ATOM 265 CD2 TRP A 17 0.205 25.985 1.289 1.00 73.10 C ATOM 266 NE1 TRP A 17 -1.176 25.936 -0.475 1.00 63.01 N ATOM 267 CE2 TRP A 17 0.123 26.167 -0.105 1.00 52.25 C ATOM 268 CE3 TRP A 17 1.438 26.165 1.920 1.00 3.23 C ATOM 269 CZ2 TRP A 17 1.228 26.519 -0.876 1.00 12.30 C ATOM 270 CZ3 TRP A 17 2.534 26.514 1.154 1.00 10.21 C ATOM 271 CH2 TRP A 17 2.423 26.689 -0.232 1.00 0.13 C ATOM 0 H TRP A 17 -1.608 24.392 5.432 1.00 53.44 H new ATOM 0 HA TRP A 17 -2.798 23.624 3.028 1.00 3.34 H new ATOM 0 HB2 TRP A 17 -2.400 25.926 3.403 1.00 3.21 H new ATOM 0 HB3 TRP A 17 -0.721 25.667 3.834 1.00 3.21 H new ATOM 0 HD1 TRP A 17 -2.963 25.387 0.648 1.00 61.41 H new ATOM 0 HE1 TRP A 17 -1.540 25.992 -1.426 1.00 63.01 H new ATOM 0 HE3 TRP A 17 1.533 26.034 2.988 1.00 3.23 H new ATOM 0 HZ2 TRP A 17 1.145 26.653 -1.944 1.00 12.30 H new ATOM 0 HZ3 TRP A 17 3.492 26.654 1.632 1.00 10.21 H new ATOM 0 HH2 TRP A 17 3.298 26.963 -0.803 1.00 0.13 H new ATOM 282 N VAL A 18 0.484 23.153 3.041 1.00 3.11 N ATOM 283 CA VAL A 18 1.556 22.385 2.419 1.00 60.20 C ATOM 284 C VAL A 18 1.225 20.897 2.397 1.00 33.15 C ATOM 285 O VAL A 18 1.512 20.199 1.424 1.00 43.52 O ATOM 286 CB VAL A 18 2.894 22.591 3.154 1.00 51.12 C ATOM 287 CG1 VAL A 18 3.491 23.946 2.807 1.00 54.45 C ATOM 288 CG2 VAL A 18 2.703 22.453 4.657 1.00 73.24 C ATOM 0 H VAL A 18 0.795 23.805 3.761 1.00 3.11 H new ATOM 0 HA VAL A 18 1.652 22.748 1.396 1.00 60.20 H new ATOM 0 HB VAL A 18 3.591 21.819 2.827 1.00 51.12 H new ATOM 0 HG11 VAL A 18 4.436 24.074 3.336 1.00 54.45 H new ATOM 0 HG12 VAL A 18 3.666 24.002 1.733 1.00 54.45 H new ATOM 0 HG13 VAL A 18 2.800 24.735 3.104 1.00 54.45 H new ATOM 0 HG21 VAL A 18 3.658 22.602 5.160 1.00 73.24 H new ATOM 0 HG22 VAL A 18 1.990 23.201 5.003 1.00 73.24 H new ATOM 0 HG23 VAL A 18 2.323 21.457 4.886 1.00 73.24 H new ATOM 298 N LEU A 19 0.618 20.416 3.477 1.00 53.21 N ATOM 299 CA LEU A 19 0.246 19.010 3.583 1.00 74.53 C ATOM 300 C LEU A 19 -0.865 18.664 2.596 1.00 12.40 C ATOM 301 O LEU A 19 -0.721 17.757 1.777 1.00 3.32 O ATOM 302 CB LEU A 19 -0.205 18.687 5.009 1.00 63.35 C ATOM 303 CG LEU A 19 0.855 18.074 5.924 1.00 21.45 C ATOM 304 CD1 LEU A 19 0.333 17.967 7.349 1.00 51.32 C ATOM 305 CD2 LEU A 19 1.281 16.707 5.407 1.00 1.24 C ATOM 0 H LEU A 19 0.373 20.979 4.291 1.00 53.21 H new ATOM 0 HA LEU A 19 1.123 18.409 3.340 1.00 74.53 H new ATOM 0 HB2 LEU A 19 -0.568 19.605 5.471 1.00 63.35 H new ATOM 0 HB3 LEU A 19 -1.051 18.001 4.955 1.00 63.35 H new ATOM 0 HG LEU A 19 1.727 18.728 5.926 1.00 21.45 H new ATOM 0 HD11 LEU A 19 1.101 17.528 7.986 1.00 51.32 H new ATOM 0 HD12 LEU A 19 0.079 18.960 7.719 1.00 51.32 H new ATOM 0 HD13 LEU A 19 -0.555 17.335 7.365 1.00 51.32 H new ATOM 0 HD21 LEU A 19 2.036 16.286 6.071 1.00 1.24 H new ATOM 0 HD22 LEU A 19 0.416 16.044 5.375 1.00 1.24 H new ATOM 0 HD23 LEU A 19 1.696 16.810 4.405 1.00 1.24 H new ATOM 317 N GLU A 20 -1.972 19.396 2.679 1.00 32.34 N ATOM 318 CA GLU A 20 -3.107 19.167 1.792 1.00 23.13 C ATOM 319 C GLU A 20 -2.661 19.147 0.333 1.00 41.20 C ATOM 320 O GLU A 20 -2.944 18.200 -0.401 1.00 21.02 O ATOM 321 CB GLU A 20 -4.169 20.248 1.998 1.00 55.43 C ATOM 322 CG GLU A 20 -5.300 20.191 0.984 1.00 42.40 C ATOM 323 CD GLU A 20 -6.556 20.886 1.471 1.00 13.35 C ATOM 324 OE1 GLU A 20 -6.680 22.110 1.256 1.00 61.10 O ATOM 325 OE2 GLU A 20 -7.416 20.205 2.069 1.00 54.44 O ATOM 0 H GLU A 20 -2.107 20.152 3.351 1.00 32.34 H new ATOM 0 HA GLU A 20 -3.537 18.195 2.036 1.00 23.13 H new ATOM 0 HB2 GLU A 20 -4.586 20.150 3.000 1.00 55.43 H new ATOM 0 HB3 GLU A 20 -3.694 21.227 1.945 1.00 55.43 H new ATOM 0 HG2 GLU A 20 -4.972 20.653 0.053 1.00 42.40 H new ATOM 0 HG3 GLU A 20 -5.530 19.149 0.760 1.00 42.40 H new ATOM 332 N ARG A 21 -1.963 20.200 -0.081 1.00 22.34 N ATOM 333 CA ARG A 21 -1.479 20.305 -1.452 1.00 33.11 C ATOM 334 C ARG A 21 -0.593 19.115 -1.808 1.00 45.44 C ATOM 335 O ARG A 21 -0.394 18.807 -2.983 1.00 65.10 O ATOM 336 CB ARG A 21 -0.703 21.609 -1.643 1.00 24.01 C ATOM 337 CG ARG A 21 0.616 21.648 -0.889 1.00 4.34 C ATOM 338 CD ARG A 21 1.499 22.790 -1.369 1.00 32.03 C ATOM 339 NE ARG A 21 2.396 22.374 -2.444 1.00 34.14 N ATOM 340 CZ ARG A 21 3.285 23.180 -3.012 1.00 4.13 C ATOM 341 NH1 ARG A 21 3.397 24.438 -2.609 1.00 50.41 N ATOM 342 NH2 ARG A 21 4.066 22.728 -3.984 1.00 64.25 N ATOM 0 H ARG A 21 -1.720 20.992 0.514 1.00 22.34 H new ATOM 0 HA ARG A 21 -2.343 20.304 -2.117 1.00 33.11 H new ATOM 0 HB2 ARG A 21 -0.509 21.754 -2.706 1.00 24.01 H new ATOM 0 HB3 ARG A 21 -1.324 22.443 -1.316 1.00 24.01 H new ATOM 0 HG2 ARG A 21 0.423 21.760 0.178 1.00 4.34 H new ATOM 0 HG3 ARG A 21 1.140 20.701 -1.021 1.00 4.34 H new ATOM 0 HD2 ARG A 21 0.872 23.611 -1.717 1.00 32.03 H new ATOM 0 HD3 ARG A 21 2.087 23.170 -0.533 1.00 32.03 H new ATOM 0 HE ARG A 21 2.336 21.412 -2.777 1.00 34.14 H new ATOM 0 HH11 ARG A 21 2.799 24.789 -1.861 1.00 50.41 H new ATOM 0 HH12 ARG A 21 4.081 25.055 -3.047 1.00 50.41 H new ATOM 0 HH21 ARG A 21 3.984 21.760 -4.296 1.00 64.25 H new ATOM 0 HH22 ARG A 21 4.749 23.348 -4.420 1.00 64.25 H new ATOM 356 N ALA A 22 -0.062 18.452 -0.786 1.00 72.13 N ATOM 357 CA ALA A 22 0.802 17.296 -0.992 1.00 33.05 C ATOM 358 C ALA A 22 -0.015 16.014 -1.107 1.00 33.43 C ATOM 359 O ALA A 22 0.062 15.304 -2.111 1.00 13.22 O ATOM 360 CB ALA A 22 1.809 17.182 0.143 1.00 43.12 C ATOM 0 H ALA A 22 -0.215 18.695 0.193 1.00 72.13 H new ATOM 0 HA ALA A 22 1.341 17.438 -1.929 1.00 33.05 H new ATOM 0 HB1 ALA A 22 2.448 16.315 -0.023 1.00 43.12 H new ATOM 0 HB2 ALA A 22 2.422 18.083 0.178 1.00 43.12 H new ATOM 0 HB3 ALA A 22 1.280 17.067 1.089 1.00 43.12 H new ATOM 366 N LEU A 23 -0.797 15.721 -0.073 1.00 62.22 N ATOM 367 CA LEU A 23 -1.628 14.522 -0.058 1.00 54.31 C ATOM 368 C LEU A 23 -2.679 14.575 -1.162 1.00 72.45 C ATOM 369 O LEU A 23 -2.747 13.686 -2.011 1.00 44.22 O ATOM 370 CB LEU A 23 -2.310 14.367 1.303 1.00 45.42 C ATOM 371 CG LEU A 23 -1.428 14.619 2.527 1.00 73.41 C ATOM 372 CD1 LEU A 23 -2.233 14.454 3.807 1.00 52.42 C ATOM 373 CD2 LEU A 23 -0.231 13.680 2.524 1.00 62.33 C ATOM 0 H LEU A 23 -0.873 16.297 0.765 1.00 62.22 H new ATOM 0 HA LEU A 23 -0.984 13.661 -0.235 1.00 54.31 H new ATOM 0 HB2 LEU A 23 -3.157 15.052 1.343 1.00 45.42 H new ATOM 0 HB3 LEU A 23 -2.713 13.357 1.372 1.00 45.42 H new ATOM 0 HG LEU A 23 -1.061 15.644 2.482 1.00 73.41 H new ATOM 0 HD11 LEU A 23 -1.590 14.637 4.668 1.00 52.42 H new ATOM 0 HD12 LEU A 23 -3.058 15.167 3.813 1.00 52.42 H new ATOM 0 HD13 LEU A 23 -2.629 13.440 3.859 1.00 52.42 H new ATOM 0 HD21 LEU A 23 0.385 13.873 3.402 1.00 62.33 H new ATOM 0 HD22 LEU A 23 -0.579 12.647 2.545 1.00 62.33 H new ATOM 0 HD23 LEU A 23 0.359 13.846 1.623 1.00 62.33 H new ATOM 385 N ALA A 24 -3.496 15.623 -1.146 1.00 20.13 N ATOM 386 CA ALA A 24 -4.540 15.793 -2.148 1.00 15.40 C ATOM 387 C ALA A 24 -3.970 15.693 -3.558 1.00 64.24 C ATOM 388 O ALA A 24 -4.674 15.331 -4.500 1.00 34.35 O ATOM 389 CB ALA A 24 -5.244 17.129 -1.955 1.00 61.22 C ATOM 0 H ALA A 24 -3.455 16.367 -0.450 1.00 20.13 H new ATOM 0 HA ALA A 24 -5.266 14.990 -2.020 1.00 15.40 H new ATOM 0 HB1 ALA A 24 -6.022 17.243 -2.710 1.00 61.22 H new ATOM 0 HB2 ALA A 24 -5.694 17.163 -0.963 1.00 61.22 H new ATOM 0 HB3 ALA A 24 -4.521 17.939 -2.053 1.00 61.22 H new ATOM 395 N GLY A 25 -2.688 16.017 -3.698 1.00 25.33 N ATOM 396 CA GLY A 25 -2.044 15.957 -4.997 1.00 72.12 C ATOM 397 C GLY A 25 -1.511 14.574 -5.317 1.00 50.51 C ATOM 398 O GLY A 25 -1.638 14.099 -6.445 1.00 24.21 O ATOM 0 H GLY A 25 -2.084 16.320 -2.934 1.00 25.33 H new ATOM 0 HA2 GLY A 25 -2.756 16.255 -5.766 1.00 72.12 H new ATOM 0 HA3 GLY A 25 -1.224 16.675 -5.026 1.00 72.12 H new ATOM 402 N ALA A 26 -0.911 13.928 -4.322 1.00 54.54 N ATOM 403 CA ALA A 26 -0.357 12.593 -4.503 1.00 73.55 C ATOM 404 C ALA A 26 -1.436 11.526 -4.353 1.00 33.40 C ATOM 405 O ALA A 26 -1.157 10.330 -4.433 1.00 5.20 O ATOM 406 CB ALA A 26 0.770 12.350 -3.511 1.00 31.32 C ATOM 0 H ALA A 26 -0.797 14.308 -3.383 1.00 54.54 H new ATOM 0 HA ALA A 26 0.044 12.527 -5.514 1.00 73.55 H new ATOM 0 HB1 ALA A 26 1.174 11.349 -3.658 1.00 31.32 H new ATOM 0 HB2 ALA A 26 1.558 13.086 -3.668 1.00 31.32 H new ATOM 0 HB3 ALA A 26 0.386 12.441 -2.495 1.00 31.32 H new ATOM 412 N GLY A 27 -2.672 11.966 -4.134 1.00 5.24 N ATOM 413 CA GLY A 27 -3.774 11.036 -3.974 1.00 63.35 C ATOM 414 C GLY A 27 -3.991 10.636 -2.528 1.00 52.54 C ATOM 415 O GLY A 27 -5.048 10.111 -2.174 1.00 5.55 O ATOM 0 H GLY A 27 -2.929 12.951 -4.065 1.00 5.24 H new ATOM 0 HA2 GLY A 27 -4.686 11.488 -4.363 1.00 63.35 H new ATOM 0 HA3 GLY A 27 -3.581 10.144 -4.569 1.00 63.35 H new ATOM 419 N LEU A 28 -2.990 10.883 -1.691 1.00 41.53 N ATOM 420 CA LEU A 28 -3.075 10.545 -0.275 1.00 35.31 C ATOM 421 C LEU A 28 -4.213 11.305 0.399 1.00 32.01 C ATOM 422 O LEU A 28 -4.423 12.490 0.138 1.00 14.12 O ATOM 423 CB LEU A 28 -1.752 10.858 0.426 1.00 52.15 C ATOM 424 CG LEU A 28 -0.491 10.317 -0.249 1.00 51.00 C ATOM 425 CD1 LEU A 28 0.748 11.002 0.307 1.00 34.24 C ATOM 426 CD2 LEU A 28 -0.395 8.809 -0.069 1.00 52.02 C ATOM 0 H LEU A 28 -2.109 11.316 -1.969 1.00 41.53 H new ATOM 0 HA LEU A 28 -3.277 9.477 -0.194 1.00 35.31 H new ATOM 0 HB2 LEU A 28 -1.657 11.940 0.514 1.00 52.15 H new ATOM 0 HB3 LEU A 28 -1.797 10.459 1.439 1.00 52.15 H new ATOM 0 HG LEU A 28 -0.552 10.532 -1.316 1.00 51.00 H new ATOM 0 HD11 LEU A 28 1.635 10.604 -0.185 1.00 34.24 H new ATOM 0 HD12 LEU A 28 0.683 12.075 0.126 1.00 34.24 H new ATOM 0 HD13 LEU A 28 0.815 10.819 1.379 1.00 34.24 H new ATOM 0 HD21 LEU A 28 0.508 8.441 -0.556 1.00 52.02 H new ATOM 0 HD22 LEU A 28 -0.357 8.571 0.994 1.00 52.02 H new ATOM 0 HD23 LEU A 28 -1.268 8.333 -0.516 1.00 52.02 H new ATOM 438 N THR A 29 -4.945 10.616 1.270 1.00 64.04 N ATOM 439 CA THR A 29 -6.060 11.226 1.982 1.00 31.32 C ATOM 440 C THR A 29 -5.570 12.263 2.986 1.00 31.44 C ATOM 441 O THR A 29 -4.691 11.983 3.803 1.00 40.25 O ATOM 442 CB THR A 29 -6.900 10.167 2.722 1.00 3.54 C ATOM 443 OG1 THR A 29 -7.443 9.230 1.786 1.00 51.41 O ATOM 444 CG2 THR A 29 -8.028 10.822 3.505 1.00 41.30 C ATOM 0 H THR A 29 -4.785 9.635 1.499 1.00 64.04 H new ATOM 0 HA THR A 29 -6.683 11.716 1.234 1.00 31.32 H new ATOM 0 HB THR A 29 -6.249 9.643 3.422 1.00 3.54 H new ATOM 0 HG1 THR A 29 -7.974 8.560 2.265 1.00 51.41 H new ATOM 0 HG21 THR A 29 -8.607 10.055 4.019 1.00 41.30 H new ATOM 0 HG22 THR A 29 -7.609 11.512 4.237 1.00 41.30 H new ATOM 0 HG23 THR A 29 -8.677 11.369 2.820 1.00 41.30 H new ATOM 452 N CYS A 30 -6.144 13.459 2.922 1.00 61.10 N ATOM 453 CA CYS A 30 -5.765 14.538 3.827 1.00 42.53 C ATOM 454 C CYS A 30 -6.850 14.779 4.871 1.00 21.33 C ATOM 455 O CYS A 30 -7.981 15.132 4.538 1.00 55.42 O ATOM 456 CB CYS A 30 -5.504 15.824 3.040 1.00 72.44 C ATOM 457 SG CYS A 30 -5.212 17.277 4.075 1.00 61.21 S ATOM 0 H CYS A 30 -6.873 13.706 2.253 1.00 61.10 H new ATOM 0 HA CYS A 30 -4.850 14.243 4.341 1.00 42.53 H new ATOM 0 HB2 CYS A 30 -4.640 15.672 2.393 1.00 72.44 H new ATOM 0 HB3 CYS A 30 -6.357 16.019 2.391 1.00 72.44 H new ATOM 0 HG CYS A 30 -6.157 17.375 4.963 1.00 61.21 H new ATOM 463 N THR A 31 -6.498 14.583 6.138 1.00 33.43 N ATOM 464 CA THR A 31 -7.442 14.775 7.232 1.00 72.20 C ATOM 465 C THR A 31 -6.751 15.359 8.458 1.00 0.45 C ATOM 466 O THR A 31 -5.777 14.799 8.962 1.00 64.03 O ATOM 467 CB THR A 31 -8.125 13.451 7.624 1.00 71.01 C ATOM 468 OG1 THR A 31 -8.895 12.952 6.524 1.00 4.31 O ATOM 469 CG2 THR A 31 -9.027 13.645 8.834 1.00 63.42 C ATOM 0 H THR A 31 -5.566 14.291 6.432 1.00 33.43 H new ATOM 0 HA THR A 31 -8.199 15.474 6.877 1.00 72.20 H new ATOM 0 HB THR A 31 -7.349 12.730 7.881 1.00 71.01 H new ATOM 0 HG1 THR A 31 -9.325 12.109 6.781 1.00 4.31 H new ATOM 0 HG21 THR A 31 -9.498 12.697 9.092 1.00 63.42 H new ATOM 0 HG22 THR A 31 -8.433 13.997 9.678 1.00 63.42 H new ATOM 0 HG23 THR A 31 -9.796 14.381 8.600 1.00 63.42 H new ATOM 477 N THR A 32 -7.261 16.490 8.937 1.00 32.01 N ATOM 478 CA THR A 32 -6.693 17.151 10.105 1.00 65.01 C ATOM 479 C THR A 32 -7.787 17.649 11.042 1.00 42.42 C ATOM 480 O THR A 32 -8.976 17.491 10.764 1.00 63.21 O ATOM 481 CB THR A 32 -5.800 18.339 9.699 1.00 63.20 C ATOM 482 OG1 THR A 32 -6.605 19.399 9.171 1.00 63.55 O ATOM 483 CG2 THR A 32 -4.770 17.913 8.664 1.00 60.45 C ATOM 0 H THR A 32 -8.067 16.967 8.533 1.00 32.01 H new ATOM 0 HA THR A 32 -6.085 16.409 10.623 1.00 65.01 H new ATOM 0 HB THR A 32 -5.275 18.690 10.587 1.00 63.20 H new ATOM 0 HG1 THR A 32 -6.233 19.697 8.315 1.00 63.55 H new ATOM 0 HG21 THR A 32 -4.151 18.768 8.393 1.00 60.45 H new ATOM 0 HG22 THR A 32 -4.140 17.127 9.080 1.00 60.45 H new ATOM 0 HG23 THR A 32 -5.280 17.538 7.776 1.00 60.45 H new ATOM 491 N PHE A 33 -7.378 18.253 12.153 1.00 53.31 N ATOM 492 CA PHE A 33 -8.325 18.775 13.132 1.00 41.23 C ATOM 493 C PHE A 33 -7.770 20.022 13.814 1.00 50.33 C ATOM 494 O PHE A 33 -8.122 21.146 13.456 1.00 64.23 O ATOM 495 CB PHE A 33 -8.648 17.708 14.180 1.00 41.14 C ATOM 496 CG PHE A 33 -9.180 16.432 13.592 1.00 40.42 C ATOM 497 CD1 PHE A 33 -10.541 16.257 13.402 1.00 72.44 C ATOM 498 CD2 PHE A 33 -8.319 15.409 13.229 1.00 50.30 C ATOM 499 CE1 PHE A 33 -11.033 15.083 12.862 1.00 53.43 C ATOM 500 CE2 PHE A 33 -8.805 14.234 12.688 1.00 34.22 C ATOM 501 CZ PHE A 33 -10.164 14.071 12.503 1.00 13.34 C ATOM 0 H PHE A 33 -6.398 18.393 12.398 1.00 53.31 H new ATOM 0 HA PHE A 33 -9.240 19.047 12.606 1.00 41.23 H new ATOM 0 HB2 PHE A 33 -7.747 17.487 14.752 1.00 41.14 H new ATOM 0 HB3 PHE A 33 -9.380 18.109 14.881 1.00 41.14 H new ATOM 0 HD1 PHE A 33 -11.225 17.046 13.679 1.00 72.44 H new ATOM 0 HD2 PHE A 33 -7.255 15.531 13.371 1.00 50.30 H new ATOM 0 HE1 PHE A 33 -12.096 14.957 12.721 1.00 53.43 H new ATOM 0 HE2 PHE A 33 -8.123 13.444 12.410 1.00 34.22 H new ATOM 0 HZ PHE A 33 -10.546 13.154 12.079 1.00 13.34 H new ATOM 511 N GLU A 34 -6.901 19.814 14.798 1.00 14.23 N ATOM 512 CA GLU A 34 -6.299 20.921 15.531 1.00 11.54 C ATOM 513 C GLU A 34 -5.500 20.412 16.728 1.00 74.44 C ATOM 514 O GLU A 34 -4.312 20.698 16.861 1.00 4.41 O ATOM 515 CB GLU A 34 -7.379 21.897 16.004 1.00 72.11 C ATOM 516 CG GLU A 34 -7.294 23.264 15.347 1.00 3.41 C ATOM 517 CD GLU A 34 -7.276 24.396 16.356 1.00 10.21 C ATOM 518 OE1 GLU A 34 -6.415 24.373 17.260 1.00 61.40 O ATOM 519 OE2 GLU A 34 -8.124 25.306 16.241 1.00 30.12 O ATOM 0 H GLU A 34 -6.598 18.890 15.106 1.00 14.23 H new ATOM 0 HA GLU A 34 -5.619 21.441 14.856 1.00 11.54 H new ATOM 0 HB2 GLU A 34 -8.360 21.466 15.802 1.00 72.11 H new ATOM 0 HB3 GLU A 34 -7.300 22.017 17.085 1.00 72.11 H new ATOM 0 HG2 GLU A 34 -6.393 23.313 14.735 1.00 3.41 H new ATOM 0 HG3 GLU A 34 -8.143 23.394 14.676 1.00 3.41 H new ATOM 526 N ASN A 35 -6.164 19.654 17.595 1.00 2.00 N ATOM 527 CA ASN A 35 -5.517 19.105 18.781 1.00 22.31 C ATOM 528 C ASN A 35 -5.816 17.615 18.923 1.00 0.43 C ATOM 529 O ASN A 35 -6.799 17.114 18.380 1.00 53.33 O ATOM 530 CB ASN A 35 -5.981 19.851 20.033 1.00 14.40 C ATOM 531 CG ASN A 35 -6.435 21.266 19.728 1.00 74.25 C ATOM 532 OD1 ASN A 35 -5.681 22.066 19.173 1.00 33.52 O ATOM 533 ND2 ASN A 35 -7.674 21.581 20.089 1.00 22.41 N ATOM 0 H ASN A 35 -7.149 19.406 17.499 1.00 2.00 H new ATOM 0 HA ASN A 35 -4.440 19.233 18.669 1.00 22.31 H new ATOM 0 HB2 ASN A 35 -6.800 19.302 20.497 1.00 14.40 H new ATOM 0 HB3 ASN A 35 -5.167 19.882 20.757 1.00 14.40 H new ATOM 0 HD21 ASN A 35 -8.035 22.518 19.909 1.00 22.41 H new ATOM 0 HD22 ASN A 35 -8.264 20.886 20.547 1.00 22.41 H new ATOM 540 N GLY A 36 -4.960 16.913 19.659 1.00 21.23 N ATOM 541 CA GLY A 36 -5.150 15.488 19.860 1.00 2.25 C ATOM 542 C GLY A 36 -6.563 15.147 20.290 1.00 23.34 C ATOM 543 O GLY A 36 -7.085 14.088 19.944 1.00 52.42 O ATOM 0 H GLY A 36 -4.139 17.305 20.120 1.00 21.23 H new ATOM 0 HA2 GLY A 36 -4.917 14.960 18.936 1.00 2.25 H new ATOM 0 HA3 GLY A 36 -4.448 15.134 20.615 1.00 2.25 H new ATOM 547 N ASN A 37 -7.182 16.045 21.050 1.00 60.15 N ATOM 548 CA ASN A 37 -8.543 15.832 21.530 1.00 64.04 C ATOM 549 C ASN A 37 -9.476 15.473 20.377 1.00 20.34 C ATOM 550 O ASN A 37 -10.193 14.474 20.435 1.00 3.22 O ATOM 551 CB ASN A 37 -9.055 17.084 22.245 1.00 71.24 C ATOM 552 CG ASN A 37 -9.953 16.751 23.420 1.00 12.14 C ATOM 553 OD1 ASN A 37 -9.665 15.841 24.198 1.00 1.31 O ATOM 554 ND2 ASN A 37 -11.049 17.489 23.555 1.00 20.01 N ATOM 0 H ASN A 37 -6.763 16.926 21.347 1.00 60.15 H new ATOM 0 HA ASN A 37 -8.528 15.000 22.234 1.00 64.04 H new ATOM 0 HB2 ASN A 37 -8.207 17.672 22.595 1.00 71.24 H new ATOM 0 HB3 ASN A 37 -9.603 17.705 21.537 1.00 71.24 H new ATOM 0 HD21 ASN A 37 -11.691 17.312 24.327 1.00 20.01 H new ATOM 0 HD22 ASN A 37 -11.248 18.233 22.887 1.00 20.01 H new ATOM 561 N GLU A 38 -9.460 16.294 19.332 1.00 13.02 N ATOM 562 CA GLU A 38 -10.306 16.062 18.167 1.00 43.42 C ATOM 563 C GLU A 38 -9.979 14.721 17.516 1.00 52.42 C ATOM 564 O GLU A 38 -10.861 13.887 17.310 1.00 51.42 O ATOM 565 CB GLU A 38 -10.131 17.192 17.149 1.00 24.35 C ATOM 566 CG GLU A 38 -10.973 18.420 17.452 1.00 22.32 C ATOM 567 CD GLU A 38 -10.132 19.658 17.697 1.00 31.30 C ATOM 568 OE1 GLU A 38 -9.326 19.650 18.651 1.00 75.51 O ATOM 569 OE2 GLU A 38 -10.280 20.635 16.934 1.00 53.14 O ATOM 0 H GLU A 38 -8.871 17.125 19.268 1.00 13.02 H new ATOM 0 HA GLU A 38 -11.343 16.041 18.501 1.00 43.42 H new ATOM 0 HB2 GLU A 38 -9.081 17.481 17.117 1.00 24.35 H new ATOM 0 HB3 GLU A 38 -10.390 16.820 16.158 1.00 24.35 H new ATOM 0 HG2 GLU A 38 -11.651 18.605 16.619 1.00 22.32 H new ATOM 0 HG3 GLU A 38 -11.590 18.225 18.329 1.00 22.32 H new ATOM 576 N VAL A 39 -8.705 14.521 17.193 1.00 12.33 N ATOM 577 CA VAL A 39 -8.261 13.282 16.566 1.00 2.41 C ATOM 578 C VAL A 39 -8.770 12.066 17.331 1.00 73.13 C ATOM 579 O VAL A 39 -9.018 11.010 16.746 1.00 54.50 O ATOM 580 CB VAL A 39 -6.724 13.216 16.482 1.00 73.30 C ATOM 581 CG1 VAL A 39 -6.263 11.784 16.258 1.00 74.52 C ATOM 582 CG2 VAL A 39 -6.211 14.128 15.378 1.00 14.44 C ATOM 0 H VAL A 39 -7.962 15.201 17.355 1.00 12.33 H new ATOM 0 HA VAL A 39 -8.674 13.271 15.557 1.00 2.41 H new ATOM 0 HB VAL A 39 -6.311 13.562 17.429 1.00 73.30 H new ATOM 0 HG11 VAL A 39 -5.175 11.757 16.201 1.00 74.52 H new ATOM 0 HG12 VAL A 39 -6.599 11.160 17.086 1.00 74.52 H new ATOM 0 HG13 VAL A 39 -6.684 11.408 15.326 1.00 74.52 H new ATOM 0 HG21 VAL A 39 -5.124 14.069 15.333 1.00 14.44 H new ATOM 0 HG22 VAL A 39 -6.631 13.814 14.422 1.00 14.44 H new ATOM 0 HG23 VAL A 39 -6.510 15.155 15.586 1.00 14.44 H new ATOM 592 N LEU A 40 -8.925 12.220 18.641 1.00 31.10 N ATOM 593 CA LEU A 40 -9.406 11.134 19.488 1.00 73.45 C ATOM 594 C LEU A 40 -10.697 10.540 18.931 1.00 45.20 C ATOM 595 O LEU A 40 -10.770 9.345 18.648 1.00 70.12 O ATOM 596 CB LEU A 40 -9.636 11.636 20.914 1.00 72.20 C ATOM 597 CG LEU A 40 -9.227 10.681 22.036 1.00 75.41 C ATOM 598 CD1 LEU A 40 -9.747 9.278 21.759 1.00 42.32 C ATOM 599 CD2 LEU A 40 -7.715 10.668 22.201 1.00 2.11 C ATOM 0 H LEU A 40 -8.725 13.087 19.140 1.00 31.10 H new ATOM 0 HA LEU A 40 -8.645 10.354 19.503 1.00 73.45 H new ATOM 0 HB2 LEU A 40 -9.089 12.570 21.042 1.00 72.20 H new ATOM 0 HB3 LEU A 40 -10.695 11.868 21.030 1.00 72.20 H new ATOM 0 HG LEU A 40 -9.671 11.034 22.967 1.00 75.41 H new ATOM 0 HD11 LEU A 40 -9.446 8.612 22.568 1.00 42.32 H new ATOM 0 HD12 LEU A 40 -10.835 9.300 21.692 1.00 42.32 H new ATOM 0 HD13 LEU A 40 -9.333 8.916 20.818 1.00 42.32 H new ATOM 0 HD21 LEU A 40 -7.442 9.983 23.004 1.00 2.11 H new ATOM 0 HD22 LEU A 40 -7.250 10.340 21.271 1.00 2.11 H new ATOM 0 HD23 LEU A 40 -7.367 11.671 22.447 1.00 2.11 H new ATOM 611 N ALA A 41 -11.711 11.384 18.775 1.00 40.41 N ATOM 612 CA ALA A 41 -12.997 10.944 18.248 1.00 1.51 C ATOM 613 C ALA A 41 -12.816 10.108 16.986 1.00 1.00 C ATOM 614 O ALA A 41 -13.585 9.183 16.727 1.00 15.33 O ATOM 615 CB ALA A 41 -13.890 12.144 17.965 1.00 24.33 C ATOM 0 H ALA A 41 -11.667 12.377 19.006 1.00 40.41 H new ATOM 0 HA ALA A 41 -13.476 10.318 19.001 1.00 1.51 H new ATOM 0 HB1 ALA A 41 -14.847 11.801 17.572 1.00 24.33 H new ATOM 0 HB2 ALA A 41 -14.055 12.700 18.888 1.00 24.33 H new ATOM 0 HB3 ALA A 41 -13.408 12.791 17.232 1.00 24.33 H new ATOM 621 N ALA A 42 -11.794 10.440 16.203 1.00 33.33 N ATOM 622 CA ALA A 42 -11.512 9.718 14.969 1.00 60.11 C ATOM 623 C ALA A 42 -10.697 8.458 15.243 1.00 12.54 C ATOM 624 O ALA A 42 -10.893 7.427 14.598 1.00 5.34 O ATOM 625 CB ALA A 42 -10.779 10.619 13.986 1.00 11.23 C ATOM 0 H ALA A 42 -11.148 11.204 16.402 1.00 33.33 H new ATOM 0 HA ALA A 42 -12.463 9.416 14.529 1.00 60.11 H new ATOM 0 HB1 ALA A 42 -10.575 10.067 13.069 1.00 11.23 H new ATOM 0 HB2 ALA A 42 -11.398 11.487 13.757 1.00 11.23 H new ATOM 0 HB3 ALA A 42 -9.839 10.950 14.427 1.00 11.23 H new ATOM 631 N LEU A 43 -9.783 8.548 16.203 1.00 11.51 N ATOM 632 CA LEU A 43 -8.937 7.416 16.563 1.00 73.42 C ATOM 633 C LEU A 43 -9.782 6.209 16.958 1.00 34.12 C ATOM 634 O LEU A 43 -9.626 5.121 16.405 1.00 53.14 O ATOM 635 CB LEU A 43 -8.002 7.796 17.712 1.00 54.50 C ATOM 636 CG LEU A 43 -6.714 8.519 17.318 1.00 65.44 C ATOM 637 CD1 LEU A 43 -6.041 9.118 18.543 1.00 54.52 C ATOM 638 CD2 LEU A 43 -5.767 7.567 16.600 1.00 13.10 C ATOM 0 H LEU A 43 -9.609 9.394 16.746 1.00 11.51 H new ATOM 0 HA LEU A 43 -8.340 7.149 15.691 1.00 73.42 H new ATOM 0 HB2 LEU A 43 -8.552 8.430 18.407 1.00 54.50 H new ATOM 0 HB3 LEU A 43 -7.735 6.888 18.252 1.00 54.50 H new ATOM 0 HG LEU A 43 -6.970 9.330 16.636 1.00 65.44 H new ATOM 0 HD11 LEU A 43 -5.126 9.628 18.242 1.00 54.52 H new ATOM 0 HD12 LEU A 43 -6.716 9.831 19.016 1.00 54.52 H new ATOM 0 HD13 LEU A 43 -5.798 8.324 19.249 1.00 54.52 H new ATOM 0 HD21 LEU A 43 -4.855 8.098 16.327 1.00 13.10 H new ATOM 0 HD22 LEU A 43 -5.519 6.735 17.259 1.00 13.10 H new ATOM 0 HD23 LEU A 43 -6.248 7.185 15.700 1.00 13.10 H new ATOM 650 N ALA A 44 -10.679 6.410 17.918 1.00 13.21 N ATOM 651 CA ALA A 44 -11.552 5.340 18.385 1.00 52.15 C ATOM 652 C ALA A 44 -12.351 4.741 17.232 1.00 40.53 C ATOM 653 O ALA A 44 -12.574 3.532 17.181 1.00 52.02 O ATOM 654 CB ALA A 44 -12.489 5.857 19.466 1.00 13.10 C ATOM 0 H ALA A 44 -10.820 7.304 18.388 1.00 13.21 H new ATOM 0 HA ALA A 44 -10.927 4.553 18.807 1.00 52.15 H new ATOM 0 HB1 ALA A 44 -13.135 5.047 19.805 1.00 13.10 H new ATOM 0 HB2 ALA A 44 -11.904 6.231 20.306 1.00 13.10 H new ATOM 0 HB3 ALA A 44 -13.100 6.664 19.062 1.00 13.10 H new ATOM 660 N SER A 45 -12.780 5.596 16.308 1.00 23.03 N ATOM 661 CA SER A 45 -13.558 5.152 15.158 1.00 60.50 C ATOM 662 C SER A 45 -12.696 4.333 14.202 1.00 24.32 C ATOM 663 O SER A 45 -13.102 3.267 13.738 1.00 40.31 O ATOM 664 CB SER A 45 -14.153 6.354 14.423 1.00 73.11 C ATOM 665 OG SER A 45 -15.569 6.303 14.425 1.00 14.11 O ATOM 0 H SER A 45 -12.602 6.600 16.334 1.00 23.03 H new ATOM 0 HA SER A 45 -14.368 4.520 15.521 1.00 60.50 H new ATOM 0 HB2 SER A 45 -13.819 7.276 14.898 1.00 73.11 H new ATOM 0 HB3 SER A 45 -13.788 6.373 13.396 1.00 73.11 H new ATOM 0 HG SER A 45 -15.925 7.083 13.951 1.00 14.11 H new ATOM 671 N LYS A 46 -11.502 4.838 13.912 1.00 4.41 N ATOM 672 CA LYS A 46 -10.579 4.156 13.013 1.00 61.40 C ATOM 673 C LYS A 46 -9.143 4.604 13.264 1.00 23.32 C ATOM 674 O LYS A 46 -8.903 5.615 13.925 1.00 21.10 O ATOM 675 CB LYS A 46 -10.961 4.425 11.556 1.00 50.22 C ATOM 676 CG LYS A 46 -10.667 3.262 10.625 1.00 74.33 C ATOM 677 CD LYS A 46 -10.066 3.736 9.312 1.00 31.33 C ATOM 678 CE LYS A 46 -8.547 3.672 9.340 1.00 63.40 C ATOM 679 NZ LYS A 46 -8.010 2.784 8.272 1.00 65.40 N ATOM 0 H LYS A 46 -11.150 5.719 14.287 1.00 4.41 H new ATOM 0 HA LYS A 46 -10.646 3.086 13.208 1.00 61.40 H new ATOM 0 HB2 LYS A 46 -12.024 4.660 11.505 1.00 50.22 H new ATOM 0 HB3 LYS A 46 -10.423 5.305 11.205 1.00 50.22 H new ATOM 0 HG2 LYS A 46 -9.980 2.570 11.112 1.00 74.33 H new ATOM 0 HG3 LYS A 46 -11.587 2.712 10.427 1.00 74.33 H new ATOM 0 HD2 LYS A 46 -10.442 3.120 8.495 1.00 31.33 H new ATOM 0 HD3 LYS A 46 -10.385 4.759 9.113 1.00 31.33 H new ATOM 0 HE2 LYS A 46 -8.139 4.675 9.218 1.00 63.40 H new ATOM 0 HE3 LYS A 46 -8.217 3.310 10.314 1.00 63.40 H new ATOM 0 HZ1 LYS A 46 -6.971 2.767 8.324 1.00 65.40 H new ATOM 0 HZ2 LYS A 46 -8.379 1.821 8.403 1.00 65.40 H new ATOM 0 HZ3 LYS A 46 -8.304 3.143 7.341 1.00 65.40 H new ATOM 693 N THR A 47 -8.189 3.846 12.732 1.00 71.34 N ATOM 694 CA THR A 47 -6.777 4.165 12.898 1.00 61.11 C ATOM 695 C THR A 47 -6.042 4.119 11.563 1.00 21.42 C ATOM 696 O THR A 47 -6.016 3.097 10.877 1.00 63.14 O ATOM 697 CB THR A 47 -6.094 3.196 13.881 1.00 22.30 C ATOM 698 OG1 THR A 47 -5.850 1.939 13.240 1.00 62.20 O ATOM 699 CG2 THR A 47 -6.955 2.982 15.117 1.00 71.15 C ATOM 0 H THR A 47 -8.369 3.006 12.182 1.00 71.34 H new ATOM 0 HA THR A 47 -6.727 5.176 13.302 1.00 61.11 H new ATOM 0 HB THR A 47 -5.146 3.636 14.190 1.00 22.30 H new ATOM 0 HG1 THR A 47 -6.205 1.963 12.327 1.00 62.20 H new ATOM 0 HG21 THR A 47 -6.452 2.294 15.796 1.00 71.15 H new ATOM 0 HG22 THR A 47 -7.114 3.936 15.619 1.00 71.15 H new ATOM 0 HG23 THR A 47 -7.917 2.562 14.822 1.00 71.15 H new ATOM 707 N PRO A 48 -5.429 5.250 11.185 1.00 51.14 N ATOM 708 CA PRO A 48 -4.681 5.363 9.929 1.00 1.21 C ATOM 709 C PRO A 48 -3.388 4.554 9.950 1.00 54.33 C ATOM 710 O PRO A 48 -3.161 3.752 10.856 1.00 52.33 O ATOM 711 CB PRO A 48 -4.374 6.860 9.833 1.00 63.31 C ATOM 712 CG PRO A 48 -4.390 7.341 11.243 1.00 53.25 C ATOM 713 CD PRO A 48 -5.419 6.506 11.953 1.00 20.04 C ATOM 0 HA PRO A 48 -5.246 4.974 9.081 1.00 1.21 H new ATOM 0 HB2 PRO A 48 -3.405 7.036 9.366 1.00 63.31 H new ATOM 0 HB3 PRO A 48 -5.118 7.379 9.229 1.00 63.31 H new ATOM 0 HG2 PRO A 48 -3.409 7.228 11.705 1.00 53.25 H new ATOM 0 HG3 PRO A 48 -4.645 8.400 11.291 1.00 53.25 H new ATOM 0 HD2 PRO A 48 -5.150 6.337 12.996 1.00 20.04 H new ATOM 0 HD3 PRO A 48 -6.397 6.986 11.950 1.00 20.04 H new ATOM 721 N ASP A 49 -2.545 4.770 8.947 1.00 42.45 N ATOM 722 CA ASP A 49 -1.274 4.062 8.850 1.00 4.25 C ATOM 723 C ASP A 49 -0.152 4.868 9.499 1.00 34.12 C ATOM 724 O ASP A 49 0.935 4.348 9.749 1.00 45.33 O ATOM 725 CB ASP A 49 -0.933 3.778 7.387 1.00 72.23 C ATOM 726 CG ASP A 49 -0.659 2.309 7.131 1.00 71.11 C ATOM 727 OD1 ASP A 49 -0.056 1.657 8.008 1.00 30.33 O ATOM 728 OD2 ASP A 49 -1.047 1.812 6.053 1.00 61.43 O ATOM 0 H ASP A 49 -2.719 5.430 8.189 1.00 42.45 H new ATOM 0 HA ASP A 49 -1.373 3.116 9.382 1.00 4.25 H new ATOM 0 HB2 ASP A 49 -1.758 4.106 6.754 1.00 72.23 H new ATOM 0 HB3 ASP A 49 -0.059 4.363 7.101 1.00 72.23 H new ATOM 733 N VAL A 50 -0.425 6.141 9.769 1.00 63.30 N ATOM 734 CA VAL A 50 0.561 7.019 10.389 1.00 73.45 C ATOM 735 C VAL A 50 -0.036 8.389 10.690 1.00 33.52 C ATOM 736 O VAL A 50 -0.944 8.849 9.996 1.00 21.03 O ATOM 737 CB VAL A 50 1.798 7.197 9.489 1.00 61.13 C ATOM 738 CG1 VAL A 50 1.440 7.987 8.239 1.00 5.33 C ATOM 739 CG2 VAL A 50 2.921 7.877 10.257 1.00 42.13 C ATOM 0 H VAL A 50 -1.320 6.587 9.568 1.00 63.30 H new ATOM 0 HA VAL A 50 0.865 6.545 11.322 1.00 73.45 H new ATOM 0 HB VAL A 50 2.146 6.212 9.179 1.00 61.13 H new ATOM 0 HG11 VAL A 50 2.326 8.103 7.615 1.00 5.33 H new ATOM 0 HG12 VAL A 50 0.670 7.455 7.680 1.00 5.33 H new ATOM 0 HG13 VAL A 50 1.066 8.970 8.525 1.00 5.33 H new ATOM 0 HG21 VAL A 50 3.787 7.995 9.606 1.00 42.13 H new ATOM 0 HG22 VAL A 50 2.587 8.857 10.598 1.00 42.13 H new ATOM 0 HG23 VAL A 50 3.194 7.267 11.118 1.00 42.13 H new ATOM 749 N LEU A 51 0.479 9.036 11.729 1.00 12.42 N ATOM 750 CA LEU A 51 -0.003 10.356 12.124 1.00 62.34 C ATOM 751 C LEU A 51 1.124 11.189 12.726 1.00 32.13 C ATOM 752 O LEU A 51 2.021 10.658 13.382 1.00 62.42 O ATOM 753 CB LEU A 51 -1.148 10.223 13.129 1.00 71.22 C ATOM 754 CG LEU A 51 -1.547 11.502 13.865 1.00 51.21 C ATOM 755 CD1 LEU A 51 -3.048 11.533 14.108 1.00 71.45 C ATOM 756 CD2 LEU A 51 -0.790 11.619 15.180 1.00 40.12 C ATOM 0 H LEU A 51 1.230 8.669 12.314 1.00 12.42 H new ATOM 0 HA LEU A 51 -0.369 10.864 11.232 1.00 62.34 H new ATOM 0 HB2 LEU A 51 -2.024 9.842 12.603 1.00 71.22 H new ATOM 0 HB3 LEU A 51 -0.869 9.473 13.870 1.00 71.22 H new ATOM 0 HG LEU A 51 -1.283 12.355 13.239 1.00 51.21 H new ATOM 0 HD11 LEU A 51 -3.313 12.451 14.633 1.00 71.45 H new ATOM 0 HD12 LEU A 51 -3.572 11.497 13.153 1.00 71.45 H new ATOM 0 HD13 LEU A 51 -3.337 10.673 14.713 1.00 71.45 H new ATOM 0 HD21 LEU A 51 -1.087 12.535 15.690 1.00 40.12 H new ATOM 0 HD22 LEU A 51 -1.022 10.761 15.811 1.00 40.12 H new ATOM 0 HD23 LEU A 51 0.282 11.645 14.982 1.00 40.12 H new ATOM 768 N LEU A 52 1.070 12.497 12.502 1.00 11.23 N ATOM 769 CA LEU A 52 2.085 13.405 13.025 1.00 12.43 C ATOM 770 C LEU A 52 1.498 14.318 14.098 1.00 63.14 C ATOM 771 O LEU A 52 0.933 15.368 13.792 1.00 22.01 O ATOM 772 CB LEU A 52 2.678 14.246 11.893 1.00 73.41 C ATOM 773 CG LEU A 52 3.270 13.466 10.718 1.00 53.41 C ATOM 774 CD1 LEU A 52 2.255 13.347 9.591 1.00 21.24 C ATOM 775 CD2 LEU A 52 4.544 14.135 10.222 1.00 15.22 C ATOM 0 H LEU A 52 0.334 12.953 11.962 1.00 11.23 H new ATOM 0 HA LEU A 52 2.875 12.805 13.476 1.00 12.43 H new ATOM 0 HB2 LEU A 52 1.899 14.905 11.510 1.00 73.41 H new ATOM 0 HB3 LEU A 52 3.458 14.883 12.310 1.00 73.41 H new ATOM 0 HG LEU A 52 3.520 12.462 11.062 1.00 53.41 H new ATOM 0 HD11 LEU A 52 2.694 12.789 8.764 1.00 21.24 H new ATOM 0 HD12 LEU A 52 1.370 12.824 9.952 1.00 21.24 H new ATOM 0 HD13 LEU A 52 1.973 14.343 9.248 1.00 21.24 H new ATOM 0 HD21 LEU A 52 4.952 13.567 9.386 1.00 15.22 H new ATOM 0 HD22 LEU A 52 4.318 15.150 9.895 1.00 15.22 H new ATOM 0 HD23 LEU A 52 5.276 14.168 11.029 1.00 15.22 H new ATOM 787 N SER A 53 1.638 13.911 15.355 1.00 24.11 N ATOM 788 CA SER A 53 1.121 14.691 16.473 1.00 21.03 C ATOM 789 C SER A 53 2.022 15.887 16.764 1.00 5.03 C ATOM 790 O SER A 53 3.041 16.086 16.102 1.00 1.32 O ATOM 791 CB SER A 53 0.999 13.814 17.721 1.00 2.31 C ATOM 792 OG SER A 53 2.108 12.941 17.841 1.00 25.30 O ATOM 0 H SER A 53 2.105 13.045 15.625 1.00 24.11 H new ATOM 0 HA SER A 53 0.133 15.061 16.200 1.00 21.03 H new ATOM 0 HB2 SER A 53 0.931 14.445 18.607 1.00 2.31 H new ATOM 0 HB3 SER A 53 0.078 13.233 17.672 1.00 2.31 H new ATOM 0 HG SER A 53 2.007 12.393 18.647 1.00 25.30 H new ATOM 798 N ASP A 54 1.640 16.680 17.759 1.00 33.21 N ATOM 799 CA ASP A 54 2.413 17.856 18.140 1.00 53.31 C ATOM 800 C ASP A 54 2.312 18.111 19.641 1.00 75.53 C ATOM 801 O ASP A 54 1.226 18.051 20.218 1.00 33.33 O ATOM 802 CB ASP A 54 1.927 19.084 17.368 1.00 14.02 C ATOM 803 CG ASP A 54 0.528 19.507 17.774 1.00 62.52 C ATOM 804 OD1 ASP A 54 -0.273 18.625 18.150 1.00 5.04 O ATOM 805 OD2 ASP A 54 0.235 20.719 17.715 1.00 32.34 O ATOM 0 H ASP A 54 0.799 16.530 18.317 1.00 33.21 H new ATOM 0 HA ASP A 54 3.458 17.669 17.891 1.00 53.31 H new ATOM 0 HB2 ASP A 54 2.617 19.911 17.536 1.00 14.02 H new ATOM 0 HB3 ASP A 54 1.942 18.868 16.300 1.00 14.02 H new ATOM 810 N ILE A 55 3.449 18.393 20.266 1.00 45.03 N ATOM 811 CA ILE A 55 3.488 18.656 21.699 1.00 44.11 C ATOM 812 C ILE A 55 3.882 20.102 21.982 1.00 74.01 C ATOM 813 O ILE A 55 4.860 20.364 22.681 1.00 2.24 O ATOM 814 CB ILE A 55 4.476 17.717 22.417 1.00 52.30 C ATOM 815 CG1 ILE A 55 5.763 17.576 21.602 1.00 4.35 C ATOM 816 CG2 ILE A 55 3.838 16.356 22.650 1.00 62.21 C ATOM 817 CD1 ILE A 55 5.726 16.440 20.605 1.00 53.14 C ATOM 0 H ILE A 55 4.356 18.445 19.803 1.00 45.03 H new ATOM 0 HA ILE A 55 2.483 18.474 22.081 1.00 44.11 H new ATOM 0 HB ILE A 55 4.727 18.149 23.386 1.00 52.30 H new ATOM 0 HG12 ILE A 55 5.951 18.509 21.071 1.00 4.35 H new ATOM 0 HG13 ILE A 55 6.600 17.423 22.283 1.00 4.35 H new ATOM 0 HG21 ILE A 55 4.548 15.703 23.158 1.00 62.21 H new ATOM 0 HG22 ILE A 55 2.947 16.473 23.267 1.00 62.21 H new ATOM 0 HG23 ILE A 55 3.561 15.915 21.692 1.00 62.21 H new ATOM 0 HD11 ILE A 55 6.671 16.400 20.064 1.00 53.14 H new ATOM 0 HD12 ILE A 55 5.570 15.499 21.132 1.00 53.14 H new ATOM 0 HD13 ILE A 55 4.910 16.601 19.900 1.00 53.14 H new ATOM 829 N ARG A 56 3.111 21.037 21.435 1.00 23.21 N ATOM 830 CA ARG A 56 3.379 22.457 21.629 1.00 34.23 C ATOM 831 C ARG A 56 2.283 23.308 20.995 1.00 53.04 C ATOM 832 O ARG A 56 2.494 23.936 19.958 1.00 53.52 O ATOM 833 CB ARG A 56 4.737 22.828 21.033 1.00 64.14 C ATOM 834 CG ARG A 56 5.090 24.298 21.189 1.00 3.02 C ATOM 835 CD ARG A 56 5.517 24.913 19.865 1.00 32.42 C ATOM 836 NE ARG A 56 6.202 26.189 20.050 1.00 64.21 N ATOM 837 CZ ARG A 56 6.479 27.025 19.056 1.00 52.24 C ATOM 838 NH1 ARG A 56 6.129 26.722 17.813 1.00 23.21 N ATOM 839 NH2 ARG A 56 7.106 28.168 19.303 1.00 14.22 N ATOM 0 H ARG A 56 2.297 20.837 20.855 1.00 23.21 H new ATOM 0 HA ARG A 56 3.395 22.655 22.701 1.00 34.23 H new ATOM 0 HB2 ARG A 56 5.510 22.225 21.509 1.00 64.14 H new ATOM 0 HB3 ARG A 56 4.741 22.573 19.973 1.00 64.14 H new ATOM 0 HG2 ARG A 56 4.230 24.840 21.582 1.00 3.02 H new ATOM 0 HG3 ARG A 56 5.894 24.405 21.917 1.00 3.02 H new ATOM 0 HD2 ARG A 56 6.175 24.221 19.339 1.00 32.42 H new ATOM 0 HD3 ARG A 56 4.640 25.060 19.234 1.00 32.42 H new ATOM 0 HE ARG A 56 6.483 26.453 20.994 1.00 64.21 H new ATOM 0 HH11 ARG A 56 5.646 25.845 17.619 1.00 23.21 H new ATOM 0 HH12 ARG A 56 6.343 27.366 17.052 1.00 23.21 H new ATOM 0 HH21 ARG A 56 7.376 28.406 20.257 1.00 14.22 H new ATOM 0 HH22 ARG A 56 7.318 28.809 18.538 1.00 14.22 H new ATOM 853 N MET A 57 1.112 23.322 21.624 1.00 5.53 N ATOM 854 CA MET A 57 -0.016 24.097 21.121 1.00 31.02 C ATOM 855 C MET A 57 -0.970 24.466 22.253 1.00 71.41 C ATOM 856 O MET A 57 -1.022 23.808 23.293 1.00 45.14 O ATOM 857 CB MET A 57 -0.764 23.308 20.045 1.00 41.35 C ATOM 858 CG MET A 57 -0.987 21.849 20.405 1.00 33.34 C ATOM 859 SD MET A 57 -2.466 21.161 19.636 1.00 11.40 S ATOM 860 CE MET A 57 -2.502 19.528 20.370 1.00 24.01 C ATOM 0 H MET A 57 0.920 22.806 22.482 1.00 5.53 H new ATOM 0 HA MET A 57 0.373 25.016 20.683 1.00 31.02 H new ATOM 0 HB2 MET A 57 -1.729 23.781 19.865 1.00 41.35 H new ATOM 0 HB3 MET A 57 -0.204 23.362 19.112 1.00 41.35 H new ATOM 0 HG2 MET A 57 -0.118 21.266 20.098 1.00 33.34 H new ATOM 0 HG3 MET A 57 -1.068 21.754 21.488 1.00 33.34 H new ATOM 0 HE1 MET A 57 -2.762 18.793 19.609 1.00 24.01 H new ATOM 0 HE2 MET A 57 -1.521 19.292 20.782 1.00 24.01 H new ATOM 0 HE3 MET A 57 -3.245 19.504 21.167 1.00 24.01 H new ATOM 870 N PRO A 58 -1.744 25.542 22.049 1.00 72.21 N ATOM 871 CA PRO A 58 -2.711 26.021 23.041 1.00 4.52 C ATOM 872 C PRO A 58 -3.897 25.077 23.199 1.00 61.51 C ATOM 873 O PRO A 58 -4.562 25.067 24.234 1.00 53.13 O ATOM 874 CB PRO A 58 -3.169 27.365 22.469 1.00 75.00 C ATOM 875 CG PRO A 58 -2.948 27.247 21.000 1.00 34.45 C ATOM 876 CD PRO A 58 -1.736 26.373 20.833 1.00 1.04 C ATOM 0 HA PRO A 58 -2.272 26.093 24.036 1.00 4.52 H new ATOM 0 HB2 PRO A 58 -4.218 27.556 22.697 1.00 75.00 H new ATOM 0 HB3 PRO A 58 -2.596 28.191 22.891 1.00 75.00 H new ATOM 0 HG2 PRO A 58 -3.816 26.808 20.509 1.00 34.45 H new ATOM 0 HG3 PRO A 58 -2.788 28.227 20.549 1.00 34.45 H new ATOM 0 HD2 PRO A 58 -1.800 25.765 19.931 1.00 1.04 H new ATOM 0 HD3 PRO A 58 -0.823 26.963 20.756 1.00 1.04 H new ATOM 884 N GLY A 59 -4.156 24.282 22.165 1.00 33.30 N ATOM 885 CA GLY A 59 -5.263 23.344 22.210 1.00 63.43 C ATOM 886 C GLY A 59 -5.233 22.470 23.448 1.00 2.55 C ATOM 887 O GLY A 59 -5.911 22.757 24.434 1.00 10.44 O ATOM 0 H GLY A 59 -3.619 24.271 21.298 1.00 33.30 H new ATOM 0 HA2 GLY A 59 -6.203 23.895 22.181 1.00 63.43 H new ATOM 0 HA3 GLY A 59 -5.236 22.712 21.322 1.00 63.43 H new ATOM 891 N MET A 60 -4.446 21.401 23.398 1.00 62.23 N ATOM 892 CA MET A 60 -4.331 20.483 24.525 1.00 72.31 C ATOM 893 C MET A 60 -2.888 20.023 24.707 1.00 10.55 C ATOM 894 O MET A 60 -2.175 20.518 25.581 1.00 33.11 O ATOM 895 CB MET A 60 -5.242 19.271 24.318 1.00 61.00 C ATOM 896 CG MET A 60 -5.100 18.213 25.400 1.00 73.52 C ATOM 897 SD MET A 60 -6.521 17.105 25.478 1.00 11.01 S ATOM 898 CE MET A 60 -6.250 16.102 24.019 1.00 44.41 C ATOM 0 H MET A 60 -3.878 21.149 22.589 1.00 62.23 H new ATOM 0 HA MET A 60 -4.641 21.013 25.426 1.00 72.31 H new ATOM 0 HB2 MET A 60 -6.278 19.607 24.284 1.00 61.00 H new ATOM 0 HB3 MET A 60 -5.021 18.821 23.350 1.00 61.00 H new ATOM 0 HG2 MET A 60 -4.198 17.629 25.216 1.00 73.52 H new ATOM 0 HG3 MET A 60 -4.971 18.701 26.366 1.00 73.52 H new ATOM 0 HE1 MET A 60 -7.125 15.477 23.839 1.00 44.41 H new ATOM 0 HE2 MET A 60 -6.084 16.750 23.158 1.00 44.41 H new ATOM 0 HE3 MET A 60 -5.376 15.468 24.170 1.00 44.41 H new ATOM 908 N ASP A 61 -2.464 19.076 23.879 1.00 72.14 N ATOM 909 CA ASP A 61 -1.106 18.551 23.948 1.00 25.44 C ATOM 910 C ASP A 61 -0.883 17.476 22.889 1.00 35.41 C ATOM 911 O ASP A 61 -1.756 17.215 22.062 1.00 42.54 O ATOM 912 CB ASP A 61 -0.828 17.979 25.339 1.00 21.34 C ATOM 913 CG ASP A 61 -1.887 16.988 25.780 1.00 72.41 C ATOM 914 OD1 ASP A 61 -2.403 16.247 24.917 1.00 63.35 O ATOM 915 OD2 ASP A 61 -2.200 16.952 26.988 1.00 11.21 O ATOM 0 H ASP A 61 -3.042 18.656 23.151 1.00 72.14 H new ATOM 0 HA ASP A 61 -0.416 19.372 23.756 1.00 25.44 H new ATOM 0 HB2 ASP A 61 0.146 17.490 25.339 1.00 21.34 H new ATOM 0 HB3 ASP A 61 -0.775 18.795 26.060 1.00 21.34 H new ATOM 920 N GLY A 62 0.292 16.854 22.921 1.00 53.22 N ATOM 921 CA GLY A 62 0.608 15.816 21.958 1.00 72.51 C ATOM 922 C GLY A 62 0.861 14.473 22.615 1.00 14.20 C ATOM 923 O GLY A 62 0.682 13.425 21.993 1.00 51.33 O ATOM 0 H GLY A 62 1.030 17.051 23.597 1.00 53.22 H new ATOM 0 HA2 GLY A 62 -0.214 15.721 21.248 1.00 72.51 H new ATOM 0 HA3 GLY A 62 1.489 16.110 21.388 1.00 72.51 H new ATOM 927 N LEU A 63 1.279 14.503 23.875 1.00 22.14 N ATOM 928 CA LEU A 63 1.559 13.279 24.618 1.00 60.43 C ATOM 929 C LEU A 63 0.274 12.506 24.898 1.00 61.11 C ATOM 930 O LEU A 63 0.227 11.285 24.750 1.00 45.11 O ATOM 931 CB LEU A 63 2.267 13.607 25.933 1.00 3.02 C ATOM 932 CG LEU A 63 3.743 13.991 25.823 1.00 2.11 C ATOM 933 CD1 LEU A 63 4.245 14.564 27.139 1.00 2.23 C ATOM 934 CD2 LEU A 63 4.578 12.788 25.410 1.00 22.34 C ATOM 0 H LEU A 63 1.432 15.362 24.404 1.00 22.14 H new ATOM 0 HA LEU A 63 2.211 12.655 24.008 1.00 60.43 H new ATOM 0 HB2 LEU A 63 1.734 14.427 26.415 1.00 3.02 H new ATOM 0 HB3 LEU A 63 2.185 12.743 26.592 1.00 3.02 H new ATOM 0 HG LEU A 63 3.843 14.758 25.055 1.00 2.11 H new ATOM 0 HD11 LEU A 63 5.297 14.831 27.042 1.00 2.23 H new ATOM 0 HD12 LEU A 63 3.667 15.452 27.393 1.00 2.23 H new ATOM 0 HD13 LEU A 63 4.131 13.819 27.927 1.00 2.23 H new ATOM 0 HD21 LEU A 63 5.626 13.080 25.337 1.00 22.34 H new ATOM 0 HD22 LEU A 63 4.473 11.999 26.155 1.00 22.34 H new ATOM 0 HD23 LEU A 63 4.235 12.422 24.442 1.00 22.34 H new ATOM 946 N ALA A 64 -0.767 13.226 25.301 1.00 14.14 N ATOM 947 CA ALA A 64 -2.054 12.609 25.598 1.00 71.11 C ATOM 948 C ALA A 64 -2.591 11.850 24.389 1.00 44.11 C ATOM 949 O ALA A 64 -3.387 10.921 24.530 1.00 64.45 O ATOM 950 CB ALA A 64 -3.054 13.664 26.048 1.00 72.33 C ATOM 0 H ALA A 64 -0.745 14.238 25.429 1.00 14.14 H new ATOM 0 HA ALA A 64 -1.908 11.894 26.408 1.00 71.11 H new ATOM 0 HB1 ALA A 64 -4.010 13.189 26.266 1.00 72.33 H new ATOM 0 HB2 ALA A 64 -2.682 14.159 26.945 1.00 72.33 H new ATOM 0 HB3 ALA A 64 -3.187 14.401 25.256 1.00 72.33 H new ATOM 956 N LEU A 65 -2.151 12.252 23.201 1.00 21.35 N ATOM 957 CA LEU A 65 -2.588 11.610 21.967 1.00 64.54 C ATOM 958 C LEU A 65 -1.725 10.391 21.652 1.00 52.43 C ATOM 959 O LEU A 65 -2.240 9.305 21.384 1.00 53.14 O ATOM 960 CB LEU A 65 -2.531 12.603 20.805 1.00 73.35 C ATOM 961 CG LEU A 65 -3.307 12.209 19.547 1.00 12.10 C ATOM 962 CD1 LEU A 65 -4.805 12.319 19.788 1.00 62.52 C ATOM 963 CD2 LEU A 65 -2.890 13.077 18.369 1.00 4.42 C ATOM 0 H LEU A 65 -1.492 13.019 23.067 1.00 21.35 H new ATOM 0 HA LEU A 65 -3.617 11.278 22.104 1.00 64.54 H new ATOM 0 HB2 LEU A 65 -2.909 13.563 21.155 1.00 73.35 H new ATOM 0 HB3 LEU A 65 -1.486 12.752 20.532 1.00 73.35 H new ATOM 0 HG LEU A 65 -3.073 11.171 19.309 1.00 12.10 H new ATOM 0 HD11 LEU A 65 -5.341 12.035 18.882 1.00 62.52 H new ATOM 0 HD12 LEU A 65 -5.092 11.655 20.603 1.00 62.52 H new ATOM 0 HD13 LEU A 65 -5.057 13.346 20.051 1.00 62.52 H new ATOM 0 HD21 LEU A 65 -3.452 12.782 17.483 1.00 4.42 H new ATOM 0 HD22 LEU A 65 -3.094 14.123 18.597 1.00 4.42 H new ATOM 0 HD23 LEU A 65 -1.824 12.948 18.182 1.00 4.42 H new ATOM 975 N LEU A 66 -0.411 10.579 21.688 1.00 24.30 N ATOM 976 CA LEU A 66 0.525 9.494 21.409 1.00 53.52 C ATOM 977 C LEU A 66 0.419 8.399 22.465 1.00 5.00 C ATOM 978 O LEU A 66 0.717 7.234 22.199 1.00 1.32 O ATOM 979 CB LEU A 66 1.956 10.031 21.355 1.00 63.34 C ATOM 980 CG LEU A 66 3.022 9.051 20.862 1.00 72.04 C ATOM 981 CD1 LEU A 66 2.900 8.841 19.360 1.00 20.03 C ATOM 982 CD2 LEU A 66 4.413 9.551 21.221 1.00 43.21 C ATOM 0 H LEU A 66 0.031 11.472 21.907 1.00 24.30 H new ATOM 0 HA LEU A 66 0.268 9.064 20.441 1.00 53.52 H new ATOM 0 HB2 LEU A 66 1.970 10.908 20.708 1.00 63.34 H new ATOM 0 HB3 LEU A 66 2.234 10.368 22.354 1.00 63.34 H new ATOM 0 HG LEU A 66 2.864 8.093 21.356 1.00 72.04 H new ATOM 0 HD11 LEU A 66 3.666 8.141 19.027 1.00 20.03 H new ATOM 0 HD12 LEU A 66 1.914 8.437 19.128 1.00 20.03 H new ATOM 0 HD13 LEU A 66 3.032 9.794 18.847 1.00 20.03 H new ATOM 0 HD21 LEU A 66 5.159 8.841 20.863 1.00 43.21 H new ATOM 0 HD22 LEU A 66 4.582 10.522 20.755 1.00 43.21 H new ATOM 0 HD23 LEU A 66 4.496 9.649 22.303 1.00 43.21 H new ATOM 994 N LYS A 67 -0.008 8.780 23.664 1.00 20.31 N ATOM 995 CA LYS A 67 -0.157 7.830 24.761 1.00 43.42 C ATOM 996 C LYS A 67 -1.333 6.892 24.512 1.00 30.31 C ATOM 997 O LYS A 67 -1.417 5.817 25.106 1.00 2.22 O ATOM 998 CB LYS A 67 -0.355 8.574 26.083 1.00 11.53 C ATOM 999 CG LYS A 67 -0.535 7.654 27.278 1.00 10.00 C ATOM 1000 CD LYS A 67 0.392 8.035 28.420 1.00 14.43 C ATOM 1001 CE LYS A 67 -0.165 7.587 29.763 1.00 70.21 C ATOM 1002 NZ LYS A 67 -0.242 6.103 29.864 1.00 42.13 N ATOM 0 H LYS A 67 -0.257 9.740 23.901 1.00 20.31 H new ATOM 0 HA LYS A 67 0.754 7.234 24.819 1.00 43.42 H new ATOM 0 HB2 LYS A 67 0.505 9.220 26.259 1.00 11.53 H new ATOM 0 HB3 LYS A 67 -1.228 9.221 25.999 1.00 11.53 H new ATOM 0 HG2 LYS A 67 -1.570 7.697 27.618 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -0.340 6.624 26.978 1.00 10.00 H new ATOM 0 HD2 LYS A 67 1.371 7.583 28.262 1.00 14.43 H new ATOM 0 HD3 LYS A 67 0.537 9.115 28.427 1.00 14.43 H new ATOM 0 HE2 LYS A 67 0.465 7.973 30.564 1.00 70.21 H new ATOM 0 HE3 LYS A 67 -1.158 8.013 29.905 1.00 70.21 H new ATOM 0 HZ1 LYS A 67 -0.578 5.837 30.811 1.00 42.13 H new ATOM 0 HZ2 LYS A 67 -0.903 5.740 29.147 1.00 42.13 H new ATOM 0 HZ3 LYS A 67 0.701 5.695 29.704 1.00 42.13 H new ATOM 1016 N GLN A 68 -2.238 7.305 23.630 1.00 25.51 N ATOM 1017 CA GLN A 68 -3.408 6.499 23.303 1.00 11.02 C ATOM 1018 C GLN A 68 -3.019 5.291 22.457 1.00 1.31 C ATOM 1019 O GLN A 68 -3.277 4.148 22.835 1.00 63.13 O ATOM 1020 CB GLN A 68 -4.444 7.345 22.560 1.00 21.42 C ATOM 1021 CG GLN A 68 -5.773 7.457 23.289 1.00 12.31 C ATOM 1022 CD GLN A 68 -6.962 7.266 22.368 1.00 61.01 C ATOM 1023 OE1 GLN A 68 -6.917 7.903 21.204 1.00 32.30 O flip ATOM 1024 NE2 GLN A 68 -7.910 6.554 22.699 1.00 74.25 N flip ATOM 0 H GLN A 68 -2.183 8.192 23.130 1.00 25.51 H new ATOM 0 HA GLN A 68 -3.843 6.140 24.236 1.00 11.02 H new ATOM 0 HB2 GLN A 68 -4.040 8.345 22.403 1.00 21.42 H new ATOM 0 HB3 GLN A 68 -4.615 6.912 21.574 1.00 21.42 H new ATOM 0 HG2 GLN A 68 -5.811 6.712 24.084 1.00 12.31 H new ATOM 0 HG3 GLN A 68 -5.841 8.435 23.765 1.00 12.31 H new ATOM 0 HE21 GLN A 68 -7.903 6.083 23.604 1.00 74.25 H new ATOM 0 HE22 GLN A 68 -8.703 6.435 22.069 1.00 74.25 H new ATOM 1033 N ILE A 69 -2.398 5.553 21.312 1.00 23.10 N ATOM 1034 CA ILE A 69 -1.973 4.487 20.413 1.00 24.13 C ATOM 1035 C ILE A 69 -1.132 3.450 21.150 1.00 63.32 C ATOM 1036 O ILE A 69 -1.039 2.296 20.729 1.00 42.55 O ATOM 1037 CB ILE A 69 -1.161 5.041 19.227 1.00 32.32 C ATOM 1038 CG1 ILE A 69 -0.043 5.956 19.729 1.00 2.22 C ATOM 1039 CG2 ILE A 69 -2.073 5.788 18.265 1.00 64.42 C ATOM 1040 CD1 ILE A 69 1.117 6.077 18.766 1.00 41.41 C ATOM 0 H ILE A 69 -2.178 6.494 20.985 1.00 23.10 H new ATOM 0 HA ILE A 69 -2.879 4.014 20.033 1.00 24.13 H new ATOM 0 HB ILE A 69 -0.708 4.205 18.693 1.00 32.32 H new ATOM 0 HG12 ILE A 69 -0.453 6.948 19.917 1.00 2.22 H new ATOM 0 HG13 ILE A 69 0.325 5.577 20.683 1.00 2.22 H new ATOM 0 HG21 ILE A 69 -1.485 6.174 17.432 1.00 64.42 H new ATOM 0 HG22 ILE A 69 -2.837 5.109 17.886 1.00 64.42 H new ATOM 0 HG23 ILE A 69 -2.551 6.617 18.787 1.00 64.42 H new ATOM 0 HD11 ILE A 69 1.872 6.741 19.187 1.00 41.41 H new ATOM 0 HD12 ILE A 69 1.553 5.093 18.596 1.00 41.41 H new ATOM 0 HD13 ILE A 69 0.763 6.485 17.819 1.00 41.41 H new ATOM 1052 N LYS A 70 -0.521 3.867 22.254 1.00 73.32 N ATOM 1053 CA LYS A 70 0.310 2.974 23.053 1.00 41.23 C ATOM 1054 C LYS A 70 -0.495 1.776 23.545 1.00 70.34 C ATOM 1055 O LYS A 70 -0.122 0.627 23.307 1.00 11.22 O ATOM 1056 CB LYS A 70 0.903 3.728 24.245 1.00 24.32 C ATOM 1057 CG LYS A 70 2.421 3.799 24.226 1.00 75.20 C ATOM 1058 CD LYS A 70 3.046 2.428 24.424 1.00 54.14 C ATOM 1059 CE LYS A 70 4.259 2.234 23.527 1.00 51.20 C ATOM 1060 NZ LYS A 70 5.201 1.223 24.080 1.00 25.22 N ATOM 0 H LYS A 70 -0.586 4.818 22.616 1.00 73.32 H new ATOM 0 HA LYS A 70 1.120 2.610 22.421 1.00 41.23 H new ATOM 0 HB2 LYS A 70 0.500 4.741 24.260 1.00 24.32 H new ATOM 0 HB3 LYS A 70 0.582 3.243 25.167 1.00 24.32 H new ATOM 0 HG2 LYS A 70 2.755 4.218 23.277 1.00 75.20 H new ATOM 0 HG3 LYS A 70 2.764 4.473 25.011 1.00 75.20 H new ATOM 0 HD2 LYS A 70 3.340 2.308 25.467 1.00 54.14 H new ATOM 0 HD3 LYS A 70 2.307 1.656 24.211 1.00 54.14 H new ATOM 0 HE2 LYS A 70 3.931 1.921 22.536 1.00 51.20 H new ATOM 0 HE3 LYS A 70 4.777 3.185 23.406 1.00 51.20 H new ATOM 0 HZ1 LYS A 70 6.014 1.120 23.440 1.00 25.22 H new ATOM 0 HZ2 LYS A 70 5.534 1.533 25.015 1.00 25.22 H new ATOM 0 HZ3 LYS A 70 4.714 0.309 24.172 1.00 25.22 H new ATOM 1074 N GLN A 71 -1.600 2.052 24.229 1.00 33.22 N ATOM 1075 CA GLN A 71 -2.458 0.995 24.753 1.00 3.22 C ATOM 1076 C GLN A 71 -3.525 0.606 23.736 1.00 71.41 C ATOM 1077 O GLN A 71 -4.132 -0.461 23.836 1.00 13.43 O ATOM 1078 CB GLN A 71 -3.119 1.446 26.057 1.00 70.51 C ATOM 1079 CG GLN A 71 -2.420 0.928 27.304 1.00 51.51 C ATOM 1080 CD GLN A 71 -2.714 -0.534 27.574 1.00 61.14 C ATOM 1081 OE1 GLN A 71 -3.873 -0.948 27.621 1.00 3.11 O ATOM 1082 NE2 GLN A 71 -1.663 -1.326 27.752 1.00 32.20 N ATOM 0 H GLN A 71 -1.923 2.998 24.434 1.00 33.22 H new ATOM 0 HA GLN A 71 -1.837 0.122 24.952 1.00 3.22 H new ATOM 0 HB2 GLN A 71 -3.138 2.535 26.087 1.00 70.51 H new ATOM 0 HB3 GLN A 71 -4.155 1.109 26.065 1.00 70.51 H new ATOM 0 HG2 GLN A 71 -1.344 1.064 27.196 1.00 51.51 H new ATOM 0 HG3 GLN A 71 -2.731 1.522 28.163 1.00 51.51 H new ATOM 0 HE21 GLN A 71 -0.720 -0.940 27.705 1.00 32.20 H new ATOM 0 HE22 GLN A 71 -1.799 -2.320 27.936 1.00 32.20 H new ATOM 1091 N ARG A 72 -3.749 1.477 22.757 1.00 22.43 N ATOM 1092 CA ARG A 72 -4.744 1.224 21.723 1.00 53.05 C ATOM 1093 C ARG A 72 -4.178 0.320 20.632 1.00 25.41 C ATOM 1094 O ARG A 72 -4.669 -0.788 20.412 1.00 24.11 O ATOM 1095 CB ARG A 72 -5.220 2.543 21.110 1.00 31.30 C ATOM 1096 CG ARG A 72 -6.661 2.506 20.629 1.00 73.43 C ATOM 1097 CD ARG A 72 -7.637 2.470 21.794 1.00 32.44 C ATOM 1098 NE ARG A 72 -8.033 1.106 22.135 1.00 71.43 N ATOM 1099 CZ ARG A 72 -8.685 0.786 23.247 1.00 74.42 C ATOM 1100 NH1 ARG A 72 -9.014 1.727 24.121 1.00 62.21 N ATOM 1101 NH2 ARG A 72 -9.011 -0.478 23.486 1.00 71.31 N ATOM 0 H ARG A 72 -3.255 2.364 22.659 1.00 22.43 H new ATOM 0 HA ARG A 72 -5.591 0.719 22.186 1.00 53.05 H new ATOM 0 HB2 ARG A 72 -5.113 3.337 21.849 1.00 31.30 H new ATOM 0 HB3 ARG A 72 -4.572 2.799 20.271 1.00 31.30 H new ATOM 0 HG2 ARG A 72 -6.862 3.381 20.012 1.00 73.43 H new ATOM 0 HG3 ARG A 72 -6.813 1.630 19.999 1.00 73.43 H new ATOM 0 HD2 ARG A 72 -7.181 2.943 22.664 1.00 32.44 H new ATOM 0 HD3 ARG A 72 -8.523 3.053 21.542 1.00 32.44 H new ATOM 0 HE ARG A 72 -7.796 0.358 21.483 1.00 71.43 H new ATOM 0 HH11 ARG A 72 -8.766 2.700 23.940 1.00 62.21 H new ATOM 0 HH12 ARG A 72 -9.515 1.478 24.974 1.00 62.21 H new ATOM 0 HH21 ARG A 72 -8.761 -1.205 22.815 1.00 71.31 H new ATOM 0 HH22 ARG A 72 -9.512 -0.723 24.340 1.00 71.31 H new ATOM 1115 N HIS A 73 -3.141 0.799 19.952 1.00 53.44 N ATOM 1116 CA HIS A 73 -2.507 0.034 18.884 1.00 54.32 C ATOM 1117 C HIS A 73 -1.058 0.471 18.689 1.00 35.31 C ATOM 1118 O HIS A 73 -0.728 1.216 17.766 1.00 23.24 O ATOM 1119 CB HIS A 73 -3.283 0.203 17.577 1.00 11.01 C ATOM 1120 CG HIS A 73 -3.744 1.607 17.331 1.00 33.43 C ATOM 1121 ND1 HIS A 73 -3.029 2.513 16.578 1.00 64.01 N ATOM 1122 CD2 HIS A 73 -4.857 2.258 17.743 1.00 75.43 C ATOM 1123 CE1 HIS A 73 -3.681 3.661 16.538 1.00 4.20 C ATOM 1124 NE2 HIS A 73 -4.794 3.533 17.237 1.00 71.43 N ATOM 0 H HIS A 73 -2.722 1.713 20.122 1.00 53.44 H new ATOM 0 HA HIS A 73 -2.516 -1.018 19.170 1.00 54.32 H new ATOM 0 HB2 HIS A 73 -2.653 -0.114 16.746 1.00 11.01 H new ATOM 0 HB3 HIS A 73 -4.150 -0.458 17.590 1.00 11.01 H new ATOM 0 HD2 HIS A 73 -5.648 1.850 18.356 1.00 75.43 H new ATOM 0 HE1 HIS A 73 -3.359 4.553 16.021 1.00 4.20 H new ATOM 0 HE2 HIS A 73 -5.493 4.262 17.378 1.00 71.43 H new ATOM 1132 N PRO A 74 -0.173 -0.003 19.578 1.00 3.52 N ATOM 1133 CA PRO A 74 1.255 0.326 19.525 1.00 11.01 C ATOM 1134 C PRO A 74 1.955 -0.322 18.336 1.00 70.15 C ATOM 1135 O PRO A 74 3.128 -0.056 18.074 1.00 73.44 O ATOM 1136 CB PRO A 74 1.798 -0.241 20.839 1.00 5.41 C ATOM 1137 CG PRO A 74 0.853 -1.334 21.200 1.00 63.22 C ATOM 1138 CD PRO A 74 -0.497 -0.895 20.704 1.00 64.23 C ATOM 0 HA PRO A 74 1.423 1.396 19.405 1.00 11.01 H new ATOM 0 HB2 PRO A 74 2.813 -0.619 20.717 1.00 5.41 H new ATOM 0 HB3 PRO A 74 1.834 0.524 21.615 1.00 5.41 H new ATOM 0 HG2 PRO A 74 1.151 -2.276 20.739 1.00 63.22 H new ATOM 0 HG3 PRO A 74 0.839 -1.497 22.278 1.00 63.22 H new ATOM 0 HD2 PRO A 74 -1.103 -1.743 20.384 1.00 64.23 H new ATOM 0 HD3 PRO A 74 -1.060 -0.375 21.479 1.00 64.23 H new ATOM 1146 N MET A 75 1.228 -1.173 17.619 1.00 40.24 N ATOM 1147 CA MET A 75 1.780 -1.857 16.455 1.00 21.42 C ATOM 1148 C MET A 75 1.701 -0.973 15.215 1.00 14.53 C ATOM 1149 O MET A 75 2.069 -1.391 14.117 1.00 71.01 O ATOM 1150 CB MET A 75 1.034 -3.170 16.208 1.00 65.21 C ATOM 1151 CG MET A 75 1.873 -4.221 15.498 1.00 0.05 C ATOM 1152 SD MET A 75 3.154 -4.919 16.558 1.00 2.31 S ATOM 1153 CE MET A 75 4.627 -4.231 15.806 1.00 2.32 C ATOM 0 H MET A 75 0.256 -1.405 17.823 1.00 40.24 H new ATOM 0 HA MET A 75 2.829 -2.075 16.657 1.00 21.42 H new ATOM 0 HB2 MET A 75 0.696 -3.571 17.163 1.00 65.21 H new ATOM 0 HB3 MET A 75 0.143 -2.966 15.614 1.00 65.21 H new ATOM 0 HG2 MET A 75 1.223 -5.022 15.145 1.00 0.05 H new ATOM 0 HG3 MET A 75 2.338 -3.776 14.618 1.00 0.05 H new ATOM 0 HE1 MET A 75 5.430 -4.198 16.542 1.00 2.32 H new ATOM 0 HE2 MET A 75 4.931 -4.854 14.965 1.00 2.32 H new ATOM 0 HE3 MET A 75 4.417 -3.222 15.452 1.00 2.32 H new ATOM 1163 N LEU A 76 1.218 0.252 15.398 1.00 71.44 N ATOM 1164 CA LEU A 76 1.090 1.196 14.293 1.00 31.10 C ATOM 1165 C LEU A 76 2.234 2.204 14.303 1.00 4.23 C ATOM 1166 O LEU A 76 2.538 2.825 15.322 1.00 25.22 O ATOM 1167 CB LEU A 76 -0.251 1.928 14.375 1.00 43.02 C ATOM 1168 CG LEU A 76 -1.033 2.044 13.066 1.00 31.22 C ATOM 1169 CD1 LEU A 76 -2.520 2.200 13.345 1.00 20.43 C ATOM 1170 CD2 LEU A 76 -0.519 3.213 12.239 1.00 64.42 C ATOM 0 H LEU A 76 0.909 0.614 16.300 1.00 71.44 H new ATOM 0 HA LEU A 76 1.134 0.634 13.360 1.00 31.10 H new ATOM 0 HB2 LEU A 76 -0.878 1.416 15.105 1.00 43.02 H new ATOM 0 HB3 LEU A 76 -0.071 2.933 14.758 1.00 43.02 H new ATOM 0 HG LEU A 76 -0.885 1.128 12.495 1.00 31.22 H new ATOM 0 HD11 LEU A 76 -3.061 2.281 12.402 1.00 20.43 H new ATOM 0 HD12 LEU A 76 -2.880 1.331 13.896 1.00 20.43 H new ATOM 0 HD13 LEU A 76 -2.687 3.100 13.937 1.00 20.43 H new ATOM 0 HD21 LEU A 76 -1.087 3.280 11.311 1.00 64.42 H new ATOM 0 HD22 LEU A 76 -0.636 4.138 12.804 1.00 64.42 H new ATOM 0 HD23 LEU A 76 0.535 3.060 12.008 1.00 64.42 H new ATOM 1182 N PRO A 77 2.884 2.374 13.142 1.00 11.41 N ATOM 1183 CA PRO A 77 4.003 3.309 12.991 1.00 62.23 C ATOM 1184 C PRO A 77 3.557 4.765 13.067 1.00 22.13 C ATOM 1185 O PRO A 77 2.714 5.208 12.287 1.00 5.52 O ATOM 1186 CB PRO A 77 4.546 2.989 11.596 1.00 63.41 C ATOM 1187 CG PRO A 77 3.387 2.410 10.861 1.00 34.34 C ATOM 1188 CD PRO A 77 2.575 1.668 11.887 1.00 2.14 C ATOM 0 HA PRO A 77 4.739 3.196 13.787 1.00 62.23 H new ATOM 0 HB2 PRO A 77 4.920 3.886 11.102 1.00 63.41 H new ATOM 0 HB3 PRO A 77 5.375 2.283 11.646 1.00 63.41 H new ATOM 0 HG2 PRO A 77 2.795 3.193 10.387 1.00 34.34 H new ATOM 0 HG3 PRO A 77 3.722 1.740 10.069 1.00 34.34 H new ATOM 0 HD2 PRO A 77 1.510 1.703 11.658 1.00 2.14 H new ATOM 0 HD3 PRO A 77 2.856 0.616 11.938 1.00 2.14 H new ATOM 1196 N VAL A 78 4.128 5.505 14.012 1.00 2.04 N ATOM 1197 CA VAL A 78 3.790 6.912 14.190 1.00 43.22 C ATOM 1198 C VAL A 78 5.040 7.785 14.168 1.00 65.45 C ATOM 1199 O VAL A 78 6.127 7.339 14.539 1.00 52.32 O ATOM 1200 CB VAL A 78 3.038 7.146 15.513 1.00 11.32 C ATOM 1201 CG1 VAL A 78 2.504 8.569 15.580 1.00 41.13 C ATOM 1202 CG2 VAL A 78 1.910 6.137 15.670 1.00 4.22 C ATOM 0 H VAL A 78 4.827 5.153 14.666 1.00 2.04 H new ATOM 0 HA VAL A 78 3.142 7.189 13.358 1.00 43.22 H new ATOM 0 HB VAL A 78 3.737 7.007 16.337 1.00 11.32 H new ATOM 0 HG11 VAL A 78 1.976 8.715 16.522 1.00 41.13 H new ATOM 0 HG12 VAL A 78 3.334 9.273 15.516 1.00 41.13 H new ATOM 0 HG13 VAL A 78 1.819 8.740 14.750 1.00 41.13 H new ATOM 0 HG21 VAL A 78 1.389 6.317 16.610 1.00 4.22 H new ATOM 0 HG22 VAL A 78 1.210 6.242 14.841 1.00 4.22 H new ATOM 0 HG23 VAL A 78 2.322 5.128 15.671 1.00 4.22 H new ATOM 1212 N ILE A 79 4.879 9.029 13.730 1.00 21.14 N ATOM 1213 CA ILE A 79 5.995 9.964 13.661 1.00 13.44 C ATOM 1214 C ILE A 79 5.730 11.200 14.515 1.00 73.10 C ATOM 1215 O ILE A 79 4.631 11.755 14.497 1.00 34.11 O ATOM 1216 CB ILE A 79 6.271 10.405 12.212 1.00 52.42 C ATOM 1217 CG1 ILE A 79 6.340 9.187 11.289 1.00 24.44 C ATOM 1218 CG2 ILE A 79 7.562 11.206 12.139 1.00 43.33 C ATOM 1219 CD1 ILE A 79 6.495 9.543 9.828 1.00 51.35 C ATOM 0 H ILE A 79 3.987 9.413 13.418 1.00 21.14 H new ATOM 0 HA ILE A 79 6.870 9.440 14.046 1.00 13.44 H new ATOM 0 HB ILE A 79 5.452 11.043 11.880 1.00 52.42 H new ATOM 0 HG12 ILE A 79 7.178 8.559 11.592 1.00 24.44 H new ATOM 0 HG13 ILE A 79 5.434 8.594 11.416 1.00 24.44 H new ATOM 0 HG21 ILE A 79 7.743 11.511 11.108 1.00 43.33 H new ATOM 0 HG22 ILE A 79 7.477 12.091 12.769 1.00 43.33 H new ATOM 0 HG23 ILE A 79 8.392 10.591 12.487 1.00 43.33 H new ATOM 0 HD11 ILE A 79 6.537 8.630 9.234 1.00 51.35 H new ATOM 0 HD12 ILE A 79 5.645 10.146 9.508 1.00 51.35 H new ATOM 0 HD13 ILE A 79 7.415 10.110 9.687 1.00 51.35 H new ATOM 1231 N ILE A 80 6.744 11.626 15.260 1.00 50.21 N ATOM 1232 CA ILE A 80 6.621 12.798 16.118 1.00 43.10 C ATOM 1233 C ILE A 80 7.013 14.069 15.372 1.00 40.11 C ATOM 1234 O ILE A 80 8.068 14.130 14.741 1.00 10.43 O ATOM 1235 CB ILE A 80 7.495 12.666 17.379 1.00 5.51 C ATOM 1236 CG1 ILE A 80 7.349 11.269 17.984 1.00 31.21 C ATOM 1237 CG2 ILE A 80 7.120 13.732 18.398 1.00 52.45 C ATOM 1238 CD1 ILE A 80 5.921 10.904 18.325 1.00 51.52 C ATOM 0 H ILE A 80 7.660 11.177 15.287 1.00 50.21 H new ATOM 0 HA ILE A 80 5.575 12.863 16.416 1.00 43.10 H new ATOM 0 HB ILE A 80 8.538 12.812 17.097 1.00 5.51 H new ATOM 0 HG12 ILE A 80 7.745 10.535 17.282 1.00 31.21 H new ATOM 0 HG13 ILE A 80 7.957 11.208 18.887 1.00 31.21 H new ATOM 0 HG21 ILE A 80 7.747 13.625 19.283 1.00 52.45 H new ATOM 0 HG22 ILE A 80 7.271 14.720 17.963 1.00 52.45 H new ATOM 0 HG23 ILE A 80 6.073 13.615 18.678 1.00 52.45 H new ATOM 0 HD11 ILE A 80 5.893 9.900 18.749 1.00 51.52 H new ATOM 0 HD12 ILE A 80 5.527 11.616 19.050 1.00 51.52 H new ATOM 0 HD13 ILE A 80 5.312 10.933 17.421 1.00 51.52 H new ATOM 1250 N MET A 81 6.157 15.082 15.450 1.00 14.32 N ATOM 1251 CA MET A 81 6.415 16.354 14.785 1.00 71.15 C ATOM 1252 C MET A 81 6.175 17.523 15.734 1.00 14.21 C ATOM 1253 O MET A 81 5.082 17.679 16.280 1.00 12.30 O ATOM 1254 CB MET A 81 5.527 16.496 13.547 1.00 33.10 C ATOM 1255 CG MET A 81 5.402 17.927 13.050 1.00 75.12 C ATOM 1256 SD MET A 81 4.530 18.041 11.476 1.00 51.45 S ATOM 1257 CE MET A 81 2.904 17.453 11.945 1.00 45.31 C ATOM 0 H MET A 81 5.278 15.047 15.967 1.00 14.32 H new ATOM 0 HA MET A 81 7.461 16.369 14.477 1.00 71.15 H new ATOM 0 HB2 MET A 81 5.931 15.876 12.747 1.00 33.10 H new ATOM 0 HB3 MET A 81 4.533 16.112 13.777 1.00 33.10 H new ATOM 0 HG2 MET A 81 4.876 18.522 13.796 1.00 75.12 H new ATOM 0 HG3 MET A 81 6.397 18.358 12.942 1.00 75.12 H new ATOM 0 HE1 MET A 81 2.506 16.816 11.155 1.00 45.31 H new ATOM 0 HE2 MET A 81 2.977 16.881 12.870 1.00 45.31 H new ATOM 0 HE3 MET A 81 2.239 18.303 12.095 1.00 45.31 H new ATOM 1267 N THR A 82 7.203 18.344 15.928 1.00 72.41 N ATOM 1268 CA THR A 82 7.104 19.498 16.812 1.00 33.55 C ATOM 1269 C THR A 82 8.392 20.313 16.799 1.00 75.01 C ATOM 1270 O THR A 82 9.275 20.081 15.974 1.00 1.53 O ATOM 1271 CB THR A 82 6.795 19.071 18.260 1.00 71.10 C ATOM 1272 OG1 THR A 82 6.384 20.207 19.028 1.00 15.04 O ATOM 1273 CG2 THR A 82 8.013 18.429 18.907 1.00 42.14 C ATOM 0 H THR A 82 8.114 18.230 15.484 1.00 72.41 H new ATOM 0 HA THR A 82 6.285 20.113 16.439 1.00 33.55 H new ATOM 0 HB THR A 82 5.988 18.338 18.235 1.00 71.10 H new ATOM 0 HG1 THR A 82 5.925 20.847 18.445 1.00 15.04 H new ATOM 0 HG21 THR A 82 7.770 18.136 19.928 1.00 42.14 H new ATOM 0 HG22 THR A 82 8.306 17.548 18.337 1.00 42.14 H new ATOM 0 HG23 THR A 82 8.837 19.143 18.920 1.00 42.14 H new ATOM 1281 N ALA A 83 8.492 21.268 17.718 1.00 74.12 N ATOM 1282 CA ALA A 83 9.673 22.116 17.813 1.00 63.12 C ATOM 1283 C ALA A 83 10.532 21.728 19.011 1.00 5.04 C ATOM 1284 O ALA A 83 10.392 20.635 19.561 1.00 65.35 O ATOM 1285 CB ALA A 83 9.267 23.579 17.904 1.00 52.32 C ATOM 0 H ALA A 83 7.769 21.473 18.407 1.00 74.12 H new ATOM 0 HA ALA A 83 10.267 21.971 16.911 1.00 63.12 H new ATOM 0 HB1 ALA A 83 10.160 24.201 17.974 1.00 52.32 H new ATOM 0 HB2 ALA A 83 8.701 23.856 17.014 1.00 52.32 H new ATOM 0 HB3 ALA A 83 8.649 23.731 18.789 1.00 52.32 H new ATOM 1291 N HIS A 84 11.422 22.630 19.412 1.00 5.25 N ATOM 1292 CA HIS A 84 12.305 22.382 20.547 1.00 60.31 C ATOM 1293 C HIS A 84 11.516 22.349 21.852 1.00 11.12 C ATOM 1294 O HIS A 84 12.057 22.020 22.908 1.00 51.21 O ATOM 1295 CB HIS A 84 13.391 23.456 20.620 1.00 33.24 C ATOM 1296 CG HIS A 84 12.868 24.812 20.980 1.00 13.41 C ATOM 1297 ND1 HIS A 84 13.619 25.755 21.650 1.00 54.21 N ATOM 1298 CD2 HIS A 84 11.661 25.383 20.758 1.00 52.52 C ATOM 1299 CE1 HIS A 84 12.896 26.847 21.826 1.00 73.23 C ATOM 1300 NE2 HIS A 84 11.704 26.647 21.293 1.00 54.40 N ATOM 0 H HIS A 84 11.551 23.539 18.968 1.00 5.25 H new ATOM 0 HA HIS A 84 12.776 21.410 20.404 1.00 60.31 H new ATOM 0 HB2 HIS A 84 14.138 23.157 21.355 1.00 33.24 H new ATOM 0 HB3 HIS A 84 13.898 23.515 19.657 1.00 33.24 H new ATOM 0 HD2 HIS A 84 10.821 24.929 20.254 1.00 52.52 H new ATOM 0 HE1 HIS A 84 13.224 27.749 22.321 1.00 73.23 H new ATOM 0 HE2 HIS A 84 10.939 27.322 21.281 1.00 54.40 H new ATOM 1308 N SER A 85 10.234 22.693 21.772 1.00 5.12 N ATOM 1309 CA SER A 85 9.372 22.708 22.948 1.00 21.40 C ATOM 1310 C SER A 85 9.541 21.428 23.761 1.00 33.22 C ATOM 1311 O SER A 85 9.447 21.442 24.989 1.00 42.33 O ATOM 1312 CB SER A 85 7.909 22.872 22.532 1.00 61.34 C ATOM 1313 OG SER A 85 7.120 23.338 23.613 1.00 63.33 O ATOM 0 H SER A 85 9.770 22.965 20.905 1.00 5.12 H new ATOM 0 HA SER A 85 9.662 23.554 23.570 1.00 21.40 H new ATOM 0 HB2 SER A 85 7.841 23.572 21.700 1.00 61.34 H new ATOM 0 HB3 SER A 85 7.519 21.918 22.178 1.00 61.34 H new ATOM 0 HG SER A 85 6.255 22.877 23.609 1.00 63.33 H new ATOM 1319 N ASP A 86 9.789 20.322 23.068 1.00 45.43 N ATOM 1320 CA ASP A 86 9.972 19.033 23.724 1.00 45.00 C ATOM 1321 C ASP A 86 10.876 18.125 22.896 1.00 44.22 C ATOM 1322 O ASP A 86 10.439 17.091 22.390 1.00 64.34 O ATOM 1323 CB ASP A 86 8.620 18.356 23.952 1.00 50.21 C ATOM 1324 CG ASP A 86 8.626 17.443 25.162 1.00 63.31 C ATOM 1325 OD1 ASP A 86 9.414 17.701 26.095 1.00 22.24 O ATOM 1326 OD2 ASP A 86 7.844 16.469 25.175 1.00 52.22 O ATOM 0 H ASP A 86 9.868 20.293 22.051 1.00 45.43 H new ATOM 0 HA ASP A 86 10.449 19.209 24.688 1.00 45.00 H new ATOM 0 HB2 ASP A 86 7.852 19.119 24.080 1.00 50.21 H new ATOM 0 HB3 ASP A 86 8.352 17.779 23.067 1.00 50.21 H new ATOM 1331 N LEU A 87 12.138 18.519 22.761 1.00 52.14 N ATOM 1332 CA LEU A 87 13.104 17.742 21.993 1.00 61.54 C ATOM 1333 C LEU A 87 13.538 16.499 22.763 1.00 61.42 C ATOM 1334 O LEU A 87 13.985 15.515 22.172 1.00 35.35 O ATOM 1335 CB LEU A 87 14.325 18.599 21.655 1.00 23.31 C ATOM 1336 CG LEU A 87 15.540 17.850 21.106 1.00 71.24 C ATOM 1337 CD1 LEU A 87 15.212 17.213 19.764 1.00 44.53 C ATOM 1338 CD2 LEU A 87 16.731 18.788 20.977 1.00 63.33 C ATOM 0 H LEU A 87 12.516 19.372 23.174 1.00 52.14 H new ATOM 0 HA LEU A 87 12.624 17.424 21.067 1.00 61.54 H new ATOM 0 HB2 LEU A 87 14.026 19.350 20.924 1.00 23.31 H new ATOM 0 HB3 LEU A 87 14.629 19.134 22.555 1.00 23.31 H new ATOM 0 HG LEU A 87 15.802 17.057 21.807 1.00 71.24 H new ATOM 0 HD11 LEU A 87 16.088 16.684 19.388 1.00 44.53 H new ATOM 0 HD12 LEU A 87 14.389 16.509 19.887 1.00 44.53 H new ATOM 0 HD13 LEU A 87 14.924 17.988 19.054 1.00 44.53 H new ATOM 0 HD21 LEU A 87 17.587 18.238 20.585 1.00 63.33 H new ATOM 0 HD22 LEU A 87 16.481 19.602 20.297 1.00 63.33 H new ATOM 0 HD23 LEU A 87 16.980 19.196 21.956 1.00 63.33 H new ATOM 1350 N ASP A 88 13.402 16.550 24.083 1.00 21.32 N ATOM 1351 CA ASP A 88 13.777 15.427 24.935 1.00 60.34 C ATOM 1352 C ASP A 88 13.045 14.157 24.512 1.00 22.43 C ATOM 1353 O ASP A 88 13.556 13.050 24.680 1.00 73.52 O ATOM 1354 CB ASP A 88 13.470 15.744 26.399 1.00 52.32 C ATOM 1355 CG ASP A 88 13.913 14.639 27.336 1.00 23.35 C ATOM 1356 OD1 ASP A 88 13.139 13.678 27.529 1.00 22.44 O ATOM 1357 OD2 ASP A 88 15.035 14.734 27.877 1.00 71.12 O ATOM 0 H ASP A 88 13.035 17.357 24.587 1.00 21.32 H new ATOM 0 HA ASP A 88 14.849 15.262 24.825 1.00 60.34 H new ATOM 0 HB2 ASP A 88 13.966 16.674 26.678 1.00 52.32 H new ATOM 0 HB3 ASP A 88 12.399 15.907 26.515 1.00 52.32 H new ATOM 1362 N ALA A 89 11.846 14.325 23.965 1.00 51.01 N ATOM 1363 CA ALA A 89 11.044 13.193 23.518 1.00 63.40 C ATOM 1364 C ALA A 89 11.643 12.555 22.269 1.00 63.01 C ATOM 1365 O ALA A 89 11.363 11.398 21.956 1.00 42.31 O ATOM 1366 CB ALA A 89 9.612 13.632 23.254 1.00 73.34 C ATOM 0 H ALA A 89 11.408 15.235 23.821 1.00 51.01 H new ATOM 0 HA ALA A 89 11.042 12.445 24.311 1.00 63.40 H new ATOM 0 HB1 ALA A 89 9.025 12.776 22.921 1.00 73.34 H new ATOM 0 HB2 ALA A 89 9.180 14.034 24.170 1.00 73.34 H new ATOM 0 HB3 ALA A 89 9.604 14.401 22.481 1.00 73.34 H new ATOM 1372 N ALA A 90 12.468 13.317 21.559 1.00 43.23 N ATOM 1373 CA ALA A 90 13.108 12.826 20.344 1.00 34.34 C ATOM 1374 C ALA A 90 13.862 11.527 20.608 1.00 3.24 C ATOM 1375 O ALA A 90 13.932 10.651 19.746 1.00 15.31 O ATOM 1376 CB ALA A 90 14.048 13.880 19.780 1.00 63.35 C ATOM 0 H ALA A 90 12.709 14.277 21.804 1.00 43.23 H new ATOM 0 HA ALA A 90 12.329 12.620 19.610 1.00 34.34 H new ATOM 0 HB1 ALA A 90 14.519 13.500 18.873 1.00 63.35 H new ATOM 0 HB2 ALA A 90 13.484 14.782 19.545 1.00 63.35 H new ATOM 0 HB3 ALA A 90 14.816 14.114 20.517 1.00 63.35 H new ATOM 1382 N VAL A 91 14.428 11.410 21.806 1.00 73.43 N ATOM 1383 CA VAL A 91 15.177 10.217 22.183 1.00 4.53 C ATOM 1384 C VAL A 91 14.253 9.141 22.741 1.00 63.45 C ATOM 1385 O VAL A 91 14.199 8.026 22.222 1.00 21.50 O ATOM 1386 CB VAL A 91 16.259 10.543 23.231 1.00 73.11 C ATOM 1387 CG1 VAL A 91 17.208 9.366 23.402 1.00 15.43 C ATOM 1388 CG2 VAL A 91 17.020 11.800 22.837 1.00 21.43 C ATOM 0 H VAL A 91 14.382 12.126 22.531 1.00 73.43 H new ATOM 0 HA VAL A 91 15.657 9.845 21.278 1.00 4.53 H new ATOM 0 HB VAL A 91 15.771 10.727 24.188 1.00 73.11 H new ATOM 0 HG11 VAL A 91 17.965 9.614 24.146 1.00 15.43 H new ATOM 0 HG12 VAL A 91 16.647 8.492 23.733 1.00 15.43 H new ATOM 0 HG13 VAL A 91 17.692 9.148 22.450 1.00 15.43 H new ATOM 0 HG21 VAL A 91 17.780 12.016 23.588 1.00 21.43 H new ATOM 0 HG22 VAL A 91 17.499 11.647 21.870 1.00 21.43 H new ATOM 0 HG23 VAL A 91 16.327 12.639 22.771 1.00 21.43 H new ATOM 1398 N SER A 92 13.527 9.482 23.800 1.00 11.20 N ATOM 1399 CA SER A 92 12.606 8.543 24.431 1.00 43.35 C ATOM 1400 C SER A 92 11.666 7.928 23.398 1.00 4.03 C ATOM 1401 O SER A 92 11.220 6.791 23.549 1.00 14.43 O ATOM 1402 CB SER A 92 11.795 9.246 25.521 1.00 41.12 C ATOM 1403 OG SER A 92 10.802 8.386 26.051 1.00 15.34 O ATOM 0 H SER A 92 13.558 10.402 24.240 1.00 11.20 H new ATOM 0 HA SER A 92 13.193 7.744 24.884 1.00 43.35 H new ATOM 0 HB2 SER A 92 12.460 9.574 26.319 1.00 41.12 H new ATOM 0 HB3 SER A 92 11.325 10.140 25.110 1.00 41.12 H new ATOM 0 HG SER A 92 10.298 8.858 26.747 1.00 15.34 H new ATOM 1409 N ALA A 93 11.371 8.688 22.349 1.00 52.20 N ATOM 1410 CA ALA A 93 10.486 8.218 21.290 1.00 1.32 C ATOM 1411 C ALA A 93 11.037 6.957 20.633 1.00 3.35 C ATOM 1412 O ALA A 93 10.315 5.978 20.444 1.00 25.13 O ATOM 1413 CB ALA A 93 10.280 9.310 20.251 1.00 44.31 C ATOM 0 H ALA A 93 11.732 9.632 22.209 1.00 52.20 H new ATOM 0 HA ALA A 93 9.523 7.972 21.738 1.00 1.32 H new ATOM 0 HB1 ALA A 93 9.617 8.945 19.466 1.00 44.31 H new ATOM 0 HB2 ALA A 93 9.834 10.184 20.725 1.00 44.31 H new ATOM 0 HB3 ALA A 93 11.241 9.584 19.816 1.00 44.31 H new ATOM 1419 N TYR A 94 12.319 6.988 20.287 1.00 3.43 N ATOM 1420 CA TYR A 94 12.966 5.849 19.648 1.00 24.45 C ATOM 1421 C TYR A 94 12.986 4.640 20.580 1.00 55.40 C ATOM 1422 O TYR A 94 13.067 3.498 20.130 1.00 51.02 O ATOM 1423 CB TYR A 94 14.394 6.211 19.236 1.00 50.11 C ATOM 1424 CG TYR A 94 14.462 7.222 18.113 1.00 33.42 C ATOM 1425 CD1 TYR A 94 13.678 7.078 16.975 1.00 61.33 C ATOM 1426 CD2 TYR A 94 15.310 8.319 18.190 1.00 14.52 C ATOM 1427 CE1 TYR A 94 13.737 7.998 15.946 1.00 31.00 C ATOM 1428 CE2 TYR A 94 15.374 9.245 17.167 1.00 11.51 C ATOM 1429 CZ TYR A 94 14.586 9.080 16.047 1.00 11.31 C ATOM 1430 OH TYR A 94 14.648 10.000 15.025 1.00 22.32 O ATOM 0 H TYR A 94 12.931 7.790 20.439 1.00 3.43 H new ATOM 0 HA TYR A 94 12.392 5.591 18.758 1.00 24.45 H new ATOM 0 HB2 TYR A 94 14.924 6.607 20.102 1.00 50.11 H new ATOM 0 HB3 TYR A 94 14.916 5.304 18.930 1.00 50.11 H new ATOM 0 HD1 TYR A 94 13.011 6.232 16.893 1.00 61.33 H new ATOM 0 HD2 TYR A 94 15.930 8.450 19.065 1.00 14.52 H new ATOM 0 HE1 TYR A 94 13.122 7.871 15.068 1.00 31.00 H new ATOM 0 HE2 TYR A 94 16.038 10.094 17.244 1.00 11.51 H new ATOM 0 HH TYR A 94 15.294 10.701 15.254 1.00 22.32 H new ATOM 1440 N GLN A 95 12.909 4.903 21.881 1.00 43.14 N ATOM 1441 CA GLN A 95 12.918 3.838 22.876 1.00 31.04 C ATOM 1442 C GLN A 95 11.643 3.005 22.793 1.00 21.14 C ATOM 1443 O GLN A 95 11.695 1.776 22.767 1.00 21.32 O ATOM 1444 CB GLN A 95 13.067 4.425 24.281 1.00 50.21 C ATOM 1445 CG GLN A 95 14.226 5.400 24.413 1.00 61.10 C ATOM 1446 CD GLN A 95 14.464 5.834 25.846 1.00 34.51 C ATOM 1447 OE1 GLN A 95 13.778 5.384 26.765 1.00 71.33 O ATOM 1448 NE2 GLN A 95 15.439 6.712 26.045 1.00 1.20 N ATOM 0 H GLN A 95 12.840 5.843 22.270 1.00 43.14 H new ATOM 0 HA GLN A 95 13.769 3.189 22.669 1.00 31.04 H new ATOM 0 HB2 GLN A 95 12.142 4.934 24.553 1.00 50.21 H new ATOM 0 HB3 GLN A 95 13.205 3.611 24.993 1.00 50.21 H new ATOM 0 HG2 GLN A 95 15.132 4.936 24.023 1.00 61.10 H new ATOM 0 HG3 GLN A 95 14.028 6.279 23.799 1.00 61.10 H new ATOM 0 HE21 GLN A 95 15.982 7.059 25.254 1.00 1.20 H new ATOM 0 HE22 GLN A 95 15.645 7.040 26.989 1.00 1.20 H new ATOM 1457 N GLN A 96 10.501 3.683 22.753 1.00 74.13 N ATOM 1458 CA GLN A 96 9.213 3.004 22.674 1.00 55.22 C ATOM 1459 C GLN A 96 9.023 2.354 21.307 1.00 34.14 C ATOM 1460 O GLN A 96 8.190 1.463 21.143 1.00 24.01 O ATOM 1461 CB GLN A 96 8.075 3.990 22.945 1.00 41.51 C ATOM 1462 CG GLN A 96 7.680 4.813 21.729 1.00 62.10 C ATOM 1463 CD GLN A 96 7.433 6.270 22.065 1.00 11.23 C ATOM 1464 OE1 GLN A 96 7.316 6.638 23.235 1.00 44.34 O ATOM 1465 NE2 GLN A 96 7.351 7.109 21.039 1.00 5.34 N ATOM 0 H GLN A 96 10.441 4.701 22.774 1.00 74.13 H new ATOM 0 HA GLN A 96 9.196 2.222 23.434 1.00 55.22 H new ATOM 0 HB2 GLN A 96 7.204 3.438 23.298 1.00 41.51 H new ATOM 0 HB3 GLN A 96 8.373 4.664 23.748 1.00 41.51 H new ATOM 0 HG2 GLN A 96 8.467 4.746 20.978 1.00 62.10 H new ATOM 0 HG3 GLN A 96 6.779 4.389 21.285 1.00 62.10 H new ATOM 0 HE21 GLN A 96 7.454 6.761 20.086 1.00 5.34 H new ATOM 0 HE22 GLN A 96 7.185 8.102 21.204 1.00 5.34 H new ATOM 1474 N GLY A 97 9.801 2.806 20.329 1.00 54.44 N ATOM 1475 CA GLY A 97 9.702 2.258 18.989 1.00 61.32 C ATOM 1476 C GLY A 97 9.266 3.291 17.970 1.00 52.35 C ATOM 1477 O GLY A 97 8.479 2.994 17.071 1.00 30.54 O ATOM 0 H GLY A 97 10.498 3.542 20.441 1.00 54.44 H new ATOM 0 HA2 GLY A 97 10.668 1.848 18.695 1.00 61.32 H new ATOM 0 HA3 GLY A 97 8.992 1.431 18.990 1.00 61.32 H new ATOM 1481 N ALA A 98 9.776 4.510 18.109 1.00 5.34 N ATOM 1482 CA ALA A 98 9.435 5.591 17.193 1.00 0.32 C ATOM 1483 C ALA A 98 10.015 5.339 15.806 1.00 74.54 C ATOM 1484 O ALA A 98 10.921 4.522 15.640 1.00 42.23 O ATOM 1485 CB ALA A 98 9.930 6.922 17.740 1.00 50.34 C ATOM 0 H ALA A 98 10.428 4.774 18.848 1.00 5.34 H new ATOM 0 HA ALA A 98 8.349 5.628 17.103 1.00 0.32 H new ATOM 0 HB1 ALA A 98 9.669 7.721 17.046 1.00 50.34 H new ATOM 0 HB2 ALA A 98 9.464 7.114 18.706 1.00 50.34 H new ATOM 0 HB3 ALA A 98 11.013 6.886 17.860 1.00 50.34 H new ATOM 1491 N PHE A 99 9.485 6.043 14.811 1.00 43.20 N ATOM 1492 CA PHE A 99 9.949 5.894 13.437 1.00 62.44 C ATOM 1493 C PHE A 99 10.967 6.974 13.086 1.00 45.54 C ATOM 1494 O PHE A 99 12.110 6.676 12.736 1.00 13.43 O ATOM 1495 CB PHE A 99 8.767 5.957 12.467 1.00 21.42 C ATOM 1496 CG PHE A 99 9.089 5.438 11.095 1.00 41.33 C ATOM 1497 CD1 PHE A 99 9.286 4.084 10.880 1.00 24.30 C ATOM 1498 CD2 PHE A 99 9.194 6.305 10.019 1.00 10.52 C ATOM 1499 CE1 PHE A 99 9.584 3.604 9.618 1.00 14.43 C ATOM 1500 CE2 PHE A 99 9.491 5.832 8.755 1.00 75.11 C ATOM 1501 CZ PHE A 99 9.685 4.479 8.554 1.00 14.32 C ATOM 0 H PHE A 99 8.734 6.722 14.931 1.00 43.20 H new ATOM 0 HA PHE A 99 10.432 4.921 13.347 1.00 62.44 H new ATOM 0 HB2 PHE A 99 7.938 5.381 12.879 1.00 21.42 H new ATOM 0 HB3 PHE A 99 8.429 6.990 12.386 1.00 21.42 H new ATOM 0 HD1 PHE A 99 9.206 3.395 11.708 1.00 24.30 H new ATOM 0 HD2 PHE A 99 9.042 7.363 10.170 1.00 10.52 H new ATOM 0 HE1 PHE A 99 9.738 2.546 9.464 1.00 14.43 H new ATOM 0 HE2 PHE A 99 9.571 6.519 7.926 1.00 75.11 H new ATOM 0 HZ PHE A 99 9.915 4.106 7.567 1.00 14.32 H new ATOM 1511 N ASP A 100 10.545 8.230 13.181 1.00 54.23 N ATOM 1512 CA ASP A 100 11.419 9.357 12.874 1.00 34.40 C ATOM 1513 C ASP A 100 10.852 10.654 13.442 1.00 42.20 C ATOM 1514 O ASP A 100 9.758 10.671 14.005 1.00 14.54 O ATOM 1515 CB ASP A 100 11.607 9.487 11.362 1.00 71.43 C ATOM 1516 CG ASP A 100 13.008 9.928 10.989 1.00 45.13 C ATOM 1517 OD1 ASP A 100 13.721 10.447 11.872 1.00 4.35 O ATOM 1518 OD2 ASP A 100 13.392 9.755 9.813 1.00 41.34 O ATOM 0 H ASP A 100 9.603 8.494 13.468 1.00 54.23 H new ATOM 0 HA ASP A 100 12.388 9.171 13.338 1.00 34.40 H new ATOM 0 HB2 ASP A 100 11.393 8.529 10.888 1.00 71.43 H new ATOM 0 HB3 ASP A 100 10.887 10.205 10.970 1.00 71.43 H new ATOM 1523 N TYR A 101 11.605 11.738 13.291 1.00 51.22 N ATOM 1524 CA TYR A 101 11.180 13.040 13.792 1.00 73.23 C ATOM 1525 C TYR A 101 11.049 14.046 12.652 1.00 22.12 C ATOM 1526 O TYR A 101 12.047 14.485 12.078 1.00 13.13 O ATOM 1527 CB TYR A 101 12.173 13.558 14.833 1.00 12.13 C ATOM 1528 CG TYR A 101 11.720 14.825 15.524 1.00 61.31 C ATOM 1529 CD1 TYR A 101 10.491 14.887 16.168 1.00 32.03 C ATOM 1530 CD2 TYR A 101 12.523 15.959 15.533 1.00 55.13 C ATOM 1531 CE1 TYR A 101 10.073 16.042 16.800 1.00 41.43 C ATOM 1532 CE2 TYR A 101 12.114 17.118 16.163 1.00 55.51 C ATOM 1533 CZ TYR A 101 10.888 17.155 16.795 1.00 51.35 C ATOM 1534 OH TYR A 101 10.476 18.308 17.424 1.00 71.33 O ATOM 0 H TYR A 101 12.513 11.741 12.826 1.00 51.22 H new ATOM 0 HA TYR A 101 10.203 12.920 14.260 1.00 73.23 H new ATOM 0 HB2 TYR A 101 12.337 12.784 15.583 1.00 12.13 H new ATOM 0 HB3 TYR A 101 13.132 13.741 14.348 1.00 12.13 H new ATOM 0 HD1 TYR A 101 9.851 14.017 16.175 1.00 32.03 H new ATOM 0 HD2 TYR A 101 13.483 15.934 15.039 1.00 55.13 H new ATOM 0 HE1 TYR A 101 9.114 16.073 17.295 1.00 41.43 H new ATOM 0 HE2 TYR A 101 12.750 17.991 16.161 1.00 55.51 H new ATOM 0 HH TYR A 101 10.398 19.030 16.766 1.00 71.33 H new ATOM 1544 N LEU A 102 9.812 14.408 12.330 1.00 22.51 N ATOM 1545 CA LEU A 102 9.549 15.363 11.260 1.00 74.14 C ATOM 1546 C LEU A 102 8.996 16.670 11.820 1.00 65.21 C ATOM 1547 O LEU A 102 7.795 16.935 11.774 1.00 20.11 O ATOM 1548 CB LEU A 102 8.563 14.770 10.252 1.00 74.04 C ATOM 1549 CG LEU A 102 8.465 15.489 8.905 1.00 24.34 C ATOM 1550 CD1 LEU A 102 9.829 15.554 8.236 1.00 41.15 C ATOM 1551 CD2 LEU A 102 7.458 14.794 8.001 1.00 33.23 C ATOM 0 H LEU A 102 8.976 14.054 12.795 1.00 22.51 H new ATOM 0 HA LEU A 102 10.492 15.575 10.756 1.00 74.14 H new ATOM 0 HB2 LEU A 102 8.843 13.733 10.068 1.00 74.04 H new ATOM 0 HB3 LEU A 102 7.573 14.757 10.707 1.00 74.04 H new ATOM 0 HG LEU A 102 8.120 16.508 9.082 1.00 24.34 H new ATOM 0 HD11 LEU A 102 9.741 16.069 7.279 1.00 41.15 H new ATOM 0 HD12 LEU A 102 10.523 16.097 8.877 1.00 41.15 H new ATOM 0 HD13 LEU A 102 10.202 14.543 8.071 1.00 41.15 H new ATOM 0 HD21 LEU A 102 7.402 15.319 7.048 1.00 33.23 H new ATOM 0 HD22 LEU A 102 7.772 13.764 7.830 1.00 33.23 H new ATOM 0 HD23 LEU A 102 6.477 14.800 8.477 1.00 33.23 H new ATOM 1563 N PRO A 103 9.893 17.508 12.360 1.00 44.21 N ATOM 1564 CA PRO A 103 9.520 18.803 12.937 1.00 74.13 C ATOM 1565 C PRO A 103 9.077 19.804 11.875 1.00 13.24 C ATOM 1566 O PRO A 103 9.597 19.814 10.760 1.00 65.42 O ATOM 1567 CB PRO A 103 10.809 19.276 13.613 1.00 61.42 C ATOM 1568 CG PRO A 103 11.901 18.588 12.868 1.00 1.14 C ATOM 1569 CD PRO A 103 11.342 17.257 12.448 1.00 33.04 C ATOM 0 HA PRO A 103 8.673 18.717 13.618 1.00 74.13 H new ATOM 0 HB2 PRO A 103 10.912 20.360 13.555 1.00 61.42 H new ATOM 0 HB3 PRO A 103 10.822 19.010 14.670 1.00 61.42 H new ATOM 0 HG2 PRO A 103 12.210 19.172 12.001 1.00 1.14 H new ATOM 0 HG3 PRO A 103 12.782 18.460 13.497 1.00 1.14 H new ATOM 0 HD2 PRO A 103 11.752 16.932 11.492 1.00 33.04 H new ATOM 0 HD3 PRO A 103 11.571 16.477 13.174 1.00 33.04 H new ATOM 1577 N LYS A 104 8.112 20.647 12.230 1.00 64.04 N ATOM 1578 CA LYS A 104 7.600 21.654 11.309 1.00 52.44 C ATOM 1579 C LYS A 104 8.235 23.014 11.581 1.00 42.11 C ATOM 1580 O LYS A 104 8.658 23.316 12.697 1.00 0.21 O ATOM 1581 CB LYS A 104 6.078 21.758 11.429 1.00 74.30 C ATOM 1582 CG LYS A 104 5.614 22.453 12.697 1.00 35.33 C ATOM 1583 CD LYS A 104 4.651 21.584 13.489 1.00 30.41 C ATOM 1584 CE LYS A 104 3.203 21.896 13.142 1.00 4.53 C ATOM 1585 NZ LYS A 104 2.833 23.290 13.513 1.00 41.53 N ATOM 0 H LYS A 104 7.669 20.652 13.149 1.00 64.04 H new ATOM 0 HA LYS A 104 7.859 21.348 10.296 1.00 52.44 H new ATOM 0 HB2 LYS A 104 5.690 22.299 10.566 1.00 74.30 H new ATOM 0 HB3 LYS A 104 5.650 20.756 11.396 1.00 74.30 H new ATOM 0 HG2 LYS A 104 6.477 22.698 13.316 1.00 35.33 H new ATOM 0 HG3 LYS A 104 5.129 23.395 12.440 1.00 35.33 H new ATOM 0 HD2 LYS A 104 4.856 20.533 13.286 1.00 30.41 H new ATOM 0 HD3 LYS A 104 4.812 21.740 14.556 1.00 30.41 H new ATOM 0 HE2 LYS A 104 3.046 21.751 12.073 1.00 4.53 H new ATOM 0 HE3 LYS A 104 2.547 21.196 13.659 1.00 4.53 H new ATOM 0 HZ1 LYS A 104 1.812 23.427 13.372 1.00 41.53 H new ATOM 0 HZ2 LYS A 104 3.070 23.458 14.512 1.00 41.53 H new ATOM 0 HZ3 LYS A 104 3.358 23.959 12.915 1.00 41.53 H new ATOM 1599 N PRO A 105 8.304 23.856 10.539 1.00 72.43 N ATOM 1600 CA PRO A 105 7.804 23.507 9.205 1.00 23.24 C ATOM 1601 C PRO A 105 8.658 22.441 8.527 1.00 44.31 C ATOM 1602 O PRO A 105 9.887 22.479 8.596 1.00 0.32 O ATOM 1603 CB PRO A 105 7.889 24.829 8.438 1.00 71.51 C ATOM 1604 CG PRO A 105 8.957 25.602 9.131 1.00 20.44 C ATOM 1605 CD PRO A 105 8.875 25.212 10.582 1.00 52.35 C ATOM 0 HA PRO A 105 6.800 23.084 9.243 1.00 23.24 H new ATOM 0 HB2 PRO A 105 8.137 24.663 7.390 1.00 71.51 H new ATOM 0 HB3 PRO A 105 6.938 25.361 8.460 1.00 71.51 H new ATOM 0 HG2 PRO A 105 9.938 25.368 8.719 1.00 20.44 H new ATOM 0 HG3 PRO A 105 8.806 26.674 9.006 1.00 20.44 H new ATOM 0 HD2 PRO A 105 9.856 25.220 11.056 1.00 52.35 H new ATOM 0 HD3 PRO A 105 8.242 25.897 11.147 1.00 52.35 H new ATOM 1613 N PHE A 106 8.000 21.491 7.871 1.00 42.43 N ATOM 1614 CA PHE A 106 8.700 20.415 7.180 1.00 73.44 C ATOM 1615 C PHE A 106 8.348 20.402 5.695 1.00 52.31 C ATOM 1616 O PHE A 106 7.415 21.079 5.261 1.00 32.55 O ATOM 1617 CB PHE A 106 8.351 19.064 7.809 1.00 15.42 C ATOM 1618 CG PHE A 106 6.946 18.616 7.525 1.00 73.45 C ATOM 1619 CD1 PHE A 106 6.662 17.855 6.402 1.00 74.21 C ATOM 1620 CD2 PHE A 106 5.909 18.954 8.380 1.00 65.03 C ATOM 1621 CE1 PHE A 106 5.370 17.441 6.137 1.00 13.23 C ATOM 1622 CE2 PHE A 106 4.615 18.543 8.120 1.00 25.14 C ATOM 1623 CZ PHE A 106 4.346 17.785 6.998 1.00 34.42 C ATOM 0 H PHE A 106 6.983 21.445 7.803 1.00 42.43 H new ATOM 0 HA PHE A 106 9.771 20.590 7.280 1.00 73.44 H new ATOM 0 HB2 PHE A 106 9.046 18.310 7.440 1.00 15.42 H new ATOM 0 HB3 PHE A 106 8.493 19.127 8.888 1.00 15.42 H new ATOM 0 HD1 PHE A 106 7.459 17.582 5.726 1.00 74.21 H new ATOM 0 HD2 PHE A 106 6.114 19.546 9.260 1.00 65.03 H new ATOM 0 HE1 PHE A 106 5.161 16.849 5.258 1.00 13.23 H new ATOM 0 HE2 PHE A 106 3.816 18.814 8.794 1.00 25.14 H new ATOM 0 HZ PHE A 106 3.336 17.461 6.794 1.00 34.42 H new ATOM 1633 N ASP A 107 9.101 19.629 4.921 1.00 45.21 N ATOM 1634 CA ASP A 107 8.870 19.528 3.485 1.00 60.43 C ATOM 1635 C ASP A 107 8.005 18.314 3.158 1.00 24.12 C ATOM 1636 O ASP A 107 8.453 17.172 3.270 1.00 5.43 O ATOM 1637 CB ASP A 107 10.201 19.437 2.737 1.00 23.12 C ATOM 1638 CG ASP A 107 10.507 20.692 1.944 1.00 14.41 C ATOM 1639 OD1 ASP A 107 9.755 20.990 0.992 1.00 20.15 O ATOM 1640 OD2 ASP A 107 11.498 21.377 2.275 1.00 54.14 O ATOM 0 H ASP A 107 9.877 19.063 5.264 1.00 45.21 H new ATOM 0 HA ASP A 107 8.342 20.426 3.163 1.00 60.43 H new ATOM 0 HB2 ASP A 107 11.004 19.257 3.452 1.00 23.12 H new ATOM 0 HB3 ASP A 107 10.177 18.581 2.062 1.00 23.12 H new ATOM 1645 N ILE A 108 6.765 18.569 2.755 1.00 22.54 N ATOM 1646 CA ILE A 108 5.838 17.497 2.413 1.00 65.21 C ATOM 1647 C ILE A 108 6.465 16.526 1.418 1.00 74.23 C ATOM 1648 O ILE A 108 6.092 15.354 1.360 1.00 74.04 O ATOM 1649 CB ILE A 108 4.531 18.052 1.818 1.00 32.11 C ATOM 1650 CG1 ILE A 108 4.779 18.607 0.414 1.00 11.01 C ATOM 1651 CG2 ILE A 108 3.952 19.128 2.724 1.00 34.13 C ATOM 1652 CD1 ILE A 108 5.629 19.858 0.400 1.00 0.14 C ATOM 0 H ILE A 108 6.379 19.508 2.657 1.00 22.54 H new ATOM 0 HA ILE A 108 5.610 16.969 3.339 1.00 65.21 H new ATOM 0 HB ILE A 108 3.809 17.239 1.744 1.00 32.11 H new ATOM 0 HG12 ILE A 108 5.265 17.841 -0.190 1.00 11.01 H new ATOM 0 HG13 ILE A 108 3.820 18.824 -0.057 1.00 11.01 H new ATOM 0 HG21 ILE A 108 3.028 19.511 2.290 1.00 34.13 H new ATOM 0 HG22 ILE A 108 3.743 18.703 3.706 1.00 34.13 H new ATOM 0 HG23 ILE A 108 4.669 19.942 2.826 1.00 34.13 H new ATOM 0 HD11 ILE A 108 5.763 20.195 -0.628 1.00 0.14 H new ATOM 0 HD12 ILE A 108 5.135 20.640 0.977 1.00 0.14 H new ATOM 0 HD13 ILE A 108 6.602 19.642 0.841 1.00 0.14 H new ATOM 1664 N ASP A 109 7.419 17.021 0.638 1.00 61.45 N ATOM 1665 CA ASP A 109 8.100 16.196 -0.354 1.00 41.21 C ATOM 1666 C ASP A 109 8.776 14.999 0.307 1.00 62.14 C ATOM 1667 O ASP A 109 8.784 13.898 -0.243 1.00 44.12 O ATOM 1668 CB ASP A 109 9.135 17.026 -1.115 1.00 2.52 C ATOM 1669 CG ASP A 109 8.703 17.329 -2.536 1.00 43.21 C ATOM 1670 OD1 ASP A 109 8.456 16.371 -3.298 1.00 41.03 O ATOM 1671 OD2 ASP A 109 8.612 18.524 -2.886 1.00 55.21 O ATOM 0 H ASP A 109 7.739 17.989 0.673 1.00 61.45 H new ATOM 0 HA ASP A 109 7.354 15.826 -1.057 1.00 41.21 H new ATOM 0 HB2 ASP A 109 9.308 17.962 -0.584 1.00 2.52 H new ATOM 0 HB3 ASP A 109 10.084 16.490 -1.133 1.00 2.52 H new ATOM 1676 N GLU A 110 9.343 15.223 1.488 1.00 12.01 N ATOM 1677 CA GLU A 110 10.023 14.162 2.222 1.00 51.21 C ATOM 1678 C GLU A 110 9.037 13.379 3.084 1.00 23.20 C ATOM 1679 O GLU A 110 9.289 12.229 3.444 1.00 55.03 O ATOM 1680 CB GLU A 110 11.131 14.748 3.099 1.00 1.23 C ATOM 1681 CG GLU A 110 12.531 14.381 2.638 1.00 63.14 C ATOM 1682 CD GLU A 110 12.820 12.898 2.773 1.00 40.44 C ATOM 1683 OE1 GLU A 110 12.364 12.292 3.764 1.00 14.44 O ATOM 1684 OE2 GLU A 110 13.503 12.344 1.886 1.00 53.45 O ATOM 0 H GLU A 110 9.345 16.129 1.957 1.00 12.01 H new ATOM 0 HA GLU A 110 10.466 13.480 1.497 1.00 51.21 H new ATOM 0 HB2 GLU A 110 11.035 15.834 3.113 1.00 1.23 H new ATOM 0 HB3 GLU A 110 10.993 14.402 4.123 1.00 1.23 H new ATOM 0 HG2 GLU A 110 12.656 14.678 1.597 1.00 63.14 H new ATOM 0 HG3 GLU A 110 13.260 14.944 3.220 1.00 63.14 H new ATOM 1691 N ALA A 111 7.915 14.011 3.412 1.00 20.41 N ATOM 1692 CA ALA A 111 6.891 13.373 4.230 1.00 12.33 C ATOM 1693 C ALA A 111 6.086 12.366 3.416 1.00 22.43 C ATOM 1694 O ALA A 111 5.827 11.251 3.870 1.00 23.03 O ATOM 1695 CB ALA A 111 5.969 14.423 4.834 1.00 24.33 C ATOM 0 H ALA A 111 7.692 14.964 3.124 1.00 20.41 H new ATOM 0 HA ALA A 111 7.389 12.834 5.036 1.00 12.33 H new ATOM 0 HB1 ALA A 111 5.209 13.933 5.442 1.00 24.33 H new ATOM 0 HB2 ALA A 111 6.550 15.102 5.457 1.00 24.33 H new ATOM 0 HB3 ALA A 111 5.487 14.986 4.035 1.00 24.33 H new ATOM 1701 N VAL A 112 5.692 12.765 2.211 1.00 24.11 N ATOM 1702 CA VAL A 112 4.917 11.896 1.333 1.00 2.34 C ATOM 1703 C VAL A 112 5.582 10.533 1.183 1.00 31.52 C ATOM 1704 O VAL A 112 4.911 9.501 1.173 1.00 55.32 O ATOM 1705 CB VAL A 112 4.737 12.524 -0.062 1.00 5.15 C ATOM 1706 CG1 VAL A 112 4.010 11.563 -0.990 1.00 2.51 C ATOM 1707 CG2 VAL A 112 3.992 13.846 0.042 1.00 51.03 C ATOM 0 H VAL A 112 5.897 13.685 1.820 1.00 24.11 H new ATOM 0 HA VAL A 112 3.938 11.770 1.795 1.00 2.34 H new ATOM 0 HB VAL A 112 5.723 12.721 -0.483 1.00 5.15 H new ATOM 0 HG11 VAL A 112 3.892 12.024 -1.971 1.00 2.51 H new ATOM 0 HG12 VAL A 112 4.588 10.644 -1.088 1.00 2.51 H new ATOM 0 HG13 VAL A 112 3.028 11.331 -0.577 1.00 2.51 H new ATOM 0 HG21 VAL A 112 3.873 14.276 -0.953 1.00 51.03 H new ATOM 0 HG22 VAL A 112 3.010 13.676 0.483 1.00 51.03 H new ATOM 0 HG23 VAL A 112 4.558 14.534 0.670 1.00 51.03 H new ATOM 1717 N ALA A 113 6.906 10.535 1.067 1.00 12.33 N ATOM 1718 CA ALA A 113 7.662 9.298 0.920 1.00 3.01 C ATOM 1719 C ALA A 113 7.943 8.661 2.277 1.00 12.41 C ATOM 1720 O ALA A 113 8.179 7.456 2.372 1.00 2.20 O ATOM 1721 CB ALA A 113 8.965 9.561 0.179 1.00 72.21 C ATOM 0 H ALA A 113 7.477 11.380 1.072 1.00 12.33 H new ATOM 0 HA ALA A 113 7.060 8.600 0.338 1.00 3.01 H new ATOM 0 HB1 ALA A 113 9.520 8.628 0.076 1.00 72.21 H new ATOM 0 HB2 ALA A 113 8.746 9.964 -0.810 1.00 72.21 H new ATOM 0 HB3 ALA A 113 9.564 10.279 0.739 1.00 72.21 H new ATOM 1727 N LEU A 114 7.916 9.477 3.325 1.00 51.40 N ATOM 1728 CA LEU A 114 8.168 8.994 4.678 1.00 21.30 C ATOM 1729 C LEU A 114 6.949 8.262 5.231 1.00 64.34 C ATOM 1730 O LEU A 114 7.077 7.349 6.047 1.00 5.31 O ATOM 1731 CB LEU A 114 8.537 10.160 5.597 1.00 21.40 C ATOM 1732 CG LEU A 114 8.565 9.851 7.094 1.00 1.04 C ATOM 1733 CD1 LEU A 114 9.815 9.062 7.454 1.00 52.34 C ATOM 1734 CD2 LEU A 114 8.492 11.137 7.905 1.00 22.43 C ATOM 0 H LEU A 114 7.722 10.477 3.264 1.00 51.40 H new ATOM 0 HA LEU A 114 9.002 8.293 4.637 1.00 21.30 H new ATOM 0 HB2 LEU A 114 9.519 10.530 5.304 1.00 21.40 H new ATOM 0 HB3 LEU A 114 7.827 10.970 5.427 1.00 21.40 H new ATOM 0 HG LEU A 114 7.694 9.242 7.336 1.00 1.04 H new ATOM 0 HD11 LEU A 114 9.817 8.852 8.524 1.00 52.34 H new ATOM 0 HD12 LEU A 114 9.825 8.124 6.900 1.00 52.34 H new ATOM 0 HD13 LEU A 114 10.700 9.645 7.197 1.00 52.34 H new ATOM 0 HD21 LEU A 114 8.513 10.898 8.968 1.00 22.43 H new ATOM 0 HD22 LEU A 114 9.343 11.771 7.659 1.00 22.43 H new ATOM 0 HD23 LEU A 114 7.567 11.664 7.670 1.00 22.43 H new ATOM 1746 N VAL A 115 5.767 8.667 4.778 1.00 32.42 N ATOM 1747 CA VAL A 115 4.525 8.047 5.225 1.00 53.24 C ATOM 1748 C VAL A 115 4.477 6.572 4.841 1.00 3.43 C ATOM 1749 O VAL A 115 4.105 5.723 5.650 1.00 72.01 O ATOM 1750 CB VAL A 115 3.296 8.761 4.629 1.00 22.34 C ATOM 1751 CG1 VAL A 115 2.014 8.059 5.052 1.00 64.05 C ATOM 1752 CG2 VAL A 115 3.276 10.223 5.048 1.00 53.24 C ATOM 0 H VAL A 115 5.643 9.421 4.102 1.00 32.42 H new ATOM 0 HA VAL A 115 4.499 8.138 6.311 1.00 53.24 H new ATOM 0 HB VAL A 115 3.363 8.719 3.542 1.00 22.34 H new ATOM 0 HG11 VAL A 115 1.157 8.577 4.622 1.00 64.05 H new ATOM 0 HG12 VAL A 115 2.030 7.028 4.698 1.00 64.05 H new ATOM 0 HG13 VAL A 115 1.936 8.068 6.139 1.00 64.05 H new ATOM 0 HG21 VAL A 115 2.402 10.713 4.619 1.00 53.24 H new ATOM 0 HG22 VAL A 115 3.232 10.289 6.135 1.00 53.24 H new ATOM 0 HG23 VAL A 115 4.180 10.716 4.691 1.00 53.24 H new ATOM 1762 N GLU A 116 4.858 6.276 3.602 1.00 33.04 N ATOM 1763 CA GLU A 116 4.858 4.903 3.112 1.00 21.31 C ATOM 1764 C GLU A 116 6.132 4.175 3.532 1.00 43.42 C ATOM 1765 O GLU A 116 6.184 2.945 3.539 1.00 51.41 O ATOM 1766 CB GLU A 116 4.724 4.882 1.588 1.00 22.20 C ATOM 1767 CG GLU A 116 5.747 5.750 0.875 1.00 3.12 C ATOM 1768 CD GLU A 116 6.315 5.085 -0.364 1.00 20.04 C ATOM 1769 OE1 GLU A 116 7.317 4.351 -0.237 1.00 61.21 O ATOM 1770 OE2 GLU A 116 5.756 5.299 -1.460 1.00 23.01 O ATOM 0 H GLU A 116 5.170 6.968 2.920 1.00 33.04 H new ATOM 0 HA GLU A 116 4.004 4.387 3.552 1.00 21.31 H new ATOM 0 HB2 GLU A 116 4.824 3.855 1.237 1.00 22.20 H new ATOM 0 HB3 GLU A 116 3.723 5.216 1.315 1.00 22.20 H new ATOM 0 HG2 GLU A 116 5.283 6.696 0.595 1.00 3.12 H new ATOM 0 HG3 GLU A 116 6.560 5.985 1.562 1.00 3.12 H new ATOM 1777 N ARG A 117 7.158 4.945 3.880 1.00 23.00 N ATOM 1778 CA ARG A 117 8.433 4.375 4.299 1.00 1.01 C ATOM 1779 C ARG A 117 8.220 3.252 5.310 1.00 65.44 C ATOM 1780 O ARG A 117 8.841 2.193 5.216 1.00 42.23 O ATOM 1781 CB ARG A 117 9.326 5.459 4.906 1.00 52.11 C ATOM 1782 CG ARG A 117 10.623 5.677 4.144 1.00 21.44 C ATOM 1783 CD ARG A 117 11.826 5.650 5.074 1.00 1.12 C ATOM 1784 NE ARG A 117 12.205 6.989 5.518 1.00 53.15 N ATOM 1785 CZ ARG A 117 13.072 7.221 6.497 1.00 51.33 C ATOM 1786 NH1 ARG A 117 13.647 6.209 7.131 1.00 43.11 N ATOM 1787 NH2 ARG A 117 13.365 8.468 6.843 1.00 44.11 N ATOM 0 H ARG A 117 7.131 5.965 3.880 1.00 23.00 H new ATOM 0 HA ARG A 117 8.924 3.960 3.419 1.00 1.01 H new ATOM 0 HB2 ARG A 117 8.772 6.397 4.940 1.00 52.11 H new ATOM 0 HB3 ARG A 117 9.560 5.190 5.936 1.00 52.11 H new ATOM 0 HG2 ARG A 117 10.733 4.905 3.382 1.00 21.44 H new ATOM 0 HG3 ARG A 117 10.585 6.634 3.624 1.00 21.44 H new ATOM 0 HD2 ARG A 117 11.599 5.031 5.942 1.00 1.12 H new ATOM 0 HD3 ARG A 117 12.669 5.185 4.563 1.00 1.12 H new ATOM 0 HE ARG A 117 11.780 7.790 5.050 1.00 53.15 H new ATOM 0 HH11 ARG A 117 13.424 5.249 6.867 1.00 43.11 H new ATOM 0 HH12 ARG A 117 14.313 6.390 7.882 1.00 43.11 H new ATOM 0 HH21 ARG A 117 12.924 9.249 6.357 1.00 44.11 H new ATOM 0 HH22 ARG A 117 14.031 8.646 7.595 1.00 44.11 H new ATOM 1801 N ALA A 118 7.340 3.491 6.276 1.00 75.44 N ATOM 1802 CA ALA A 118 7.044 2.499 7.302 1.00 0.03 C ATOM 1803 C ALA A 118 5.986 1.511 6.823 1.00 60.00 C ATOM 1804 O ALA A 118 6.092 0.308 7.065 1.00 14.33 O ATOM 1805 CB ALA A 118 6.588 3.184 8.582 1.00 51.21 C ATOM 0 H ALA A 118 6.819 4.363 6.370 1.00 75.44 H new ATOM 0 HA ALA A 118 7.958 1.941 7.506 1.00 0.03 H new ATOM 0 HB1 ALA A 118 6.370 2.431 9.340 1.00 51.21 H new ATOM 0 HB2 ALA A 118 7.377 3.844 8.942 1.00 51.21 H new ATOM 0 HB3 ALA A 118 5.690 3.768 8.382 1.00 51.21 H new ATOM 1811 N ILE A 119 4.967 2.026 6.143 1.00 22.10 N ATOM 1812 CA ILE A 119 3.891 1.188 5.630 1.00 74.11 C ATOM 1813 C ILE A 119 4.434 0.091 4.720 1.00 55.42 C ATOM 1814 O ILE A 119 3.802 -0.950 4.540 1.00 1.15 O ATOM 1815 CB ILE A 119 2.853 2.018 4.852 1.00 50.44 C ATOM 1816 CG1 ILE A 119 2.307 3.146 5.730 1.00 21.23 C ATOM 1817 CG2 ILE A 119 1.722 1.127 4.361 1.00 51.23 C ATOM 1818 CD1 ILE A 119 1.420 4.118 4.984 1.00 22.22 C ATOM 0 H ILE A 119 4.864 3.019 5.935 1.00 22.10 H new ATOM 0 HA ILE A 119 3.407 0.733 6.494 1.00 74.11 H new ATOM 0 HB ILE A 119 3.342 2.462 3.985 1.00 50.44 H new ATOM 0 HG12 ILE A 119 1.743 2.712 6.555 1.00 21.23 H new ATOM 0 HG13 ILE A 119 3.143 3.692 6.167 1.00 21.23 H new ATOM 0 HG21 ILE A 119 0.997 1.728 3.813 1.00 51.23 H new ATOM 0 HG22 ILE A 119 2.125 0.357 3.704 1.00 51.23 H new ATOM 0 HG23 ILE A 119 1.233 0.657 5.214 1.00 51.23 H new ATOM 0 HD11 ILE A 119 1.070 4.890 5.669 1.00 22.22 H new ATOM 0 HD12 ILE A 119 1.986 4.580 4.175 1.00 22.22 H new ATOM 0 HD13 ILE A 119 0.564 3.585 4.569 1.00 22.22 H new ATOM 1830 N SER A 120 5.609 0.332 4.149 1.00 44.33 N ATOM 1831 CA SER A 120 6.237 -0.634 3.255 1.00 4.02 C ATOM 1832 C SER A 120 6.895 -1.760 4.048 1.00 55.21 C ATOM 1833 O SER A 120 7.032 -2.881 3.558 1.00 31.44 O ATOM 1834 CB SER A 120 7.278 0.058 2.372 1.00 74.42 C ATOM 1835 OG SER A 120 7.059 -0.234 1.002 1.00 35.04 O ATOM 0 H SER A 120 6.146 1.188 4.289 1.00 44.33 H new ATOM 0 HA SER A 120 5.461 -1.064 2.622 1.00 4.02 H new ATOM 0 HB2 SER A 120 7.234 1.136 2.529 1.00 74.42 H new ATOM 0 HB3 SER A 120 8.278 -0.266 2.661 1.00 74.42 H new ATOM 0 HG SER A 120 7.736 0.221 0.458 1.00 35.04 H new ATOM 1841 N HIS A 121 7.299 -1.452 5.276 1.00 22.12 N ATOM 1842 CA HIS A 121 7.942 -2.437 6.139 1.00 71.44 C ATOM 1843 C HIS A 121 6.914 -3.401 6.722 1.00 35.54 C ATOM 1844 O HIS A 121 7.238 -4.540 7.061 1.00 13.15 O ATOM 1845 CB HIS A 121 8.702 -1.740 7.267 1.00 44.11 C ATOM 1846 CG HIS A 121 9.468 -2.682 8.145 1.00 53.42 C ATOM 1847 ND1 HIS A 121 10.549 -3.414 7.701 1.00 13.32 N ATOM 1848 CD2 HIS A 121 9.304 -3.007 9.448 1.00 31.43 C ATOM 1849 CE1 HIS A 121 11.016 -4.150 8.693 1.00 33.43 C ATOM 1850 NE2 HIS A 121 10.278 -3.922 9.765 1.00 41.10 N ATOM 0 H HIS A 121 7.193 -0.529 5.696 1.00 22.12 H new ATOM 0 HA HIS A 121 8.648 -3.007 5.535 1.00 71.44 H new ATOM 0 HB2 HIS A 121 9.393 -1.016 6.835 1.00 44.11 H new ATOM 0 HB3 HIS A 121 7.995 -1.180 7.879 1.00 44.11 H new ATOM 0 HD2 HIS A 121 8.548 -2.619 10.115 1.00 31.43 H new ATOM 0 HE1 HIS A 121 11.858 -4.824 8.637 1.00 33.43 H new ATOM 0 HE2 HIS A 121 10.410 -4.355 10.679 1.00 41.10 H new ATOM 1858 N TYR A 122 5.674 -2.938 6.837 1.00 30.13 N ATOM 1859 CA TYR A 122 4.599 -3.758 7.383 1.00 30.11 C ATOM 1860 C TYR A 122 3.724 -4.323 6.268 1.00 44.33 C ATOM 1861 O TYR A 122 2.548 -4.619 6.477 1.00 44.52 O ATOM 1862 CB TYR A 122 3.744 -2.938 8.351 1.00 43.44 C ATOM 1863 CG TYR A 122 4.543 -2.269 9.447 1.00 61.52 C ATOM 1864 CD1 TYR A 122 5.052 -3.006 10.510 1.00 43.24 C ATOM 1865 CD2 TYR A 122 4.788 -0.902 9.421 1.00 71.14 C ATOM 1866 CE1 TYR A 122 5.782 -2.400 11.514 1.00 41.41 C ATOM 1867 CE2 TYR A 122 5.518 -0.288 10.420 1.00 52.24 C ATOM 1868 CZ TYR A 122 6.013 -1.041 11.464 1.00 14.41 C ATOM 1869 OH TYR A 122 6.739 -0.432 12.462 1.00 30.20 O ATOM 0 H TYR A 122 5.389 -1.999 6.559 1.00 30.13 H new ATOM 0 HA TYR A 122 5.051 -4.590 7.923 1.00 30.11 H new ATOM 0 HB2 TYR A 122 3.204 -2.176 7.789 1.00 43.44 H new ATOM 0 HB3 TYR A 122 2.997 -3.589 8.804 1.00 43.44 H new ATOM 0 HD1 TYR A 122 4.874 -4.070 10.552 1.00 43.24 H new ATOM 0 HD2 TYR A 122 4.401 -0.309 8.606 1.00 71.14 H new ATOM 0 HE1 TYR A 122 6.170 -2.987 12.334 1.00 41.41 H new ATOM 0 HE2 TYR A 122 5.700 0.776 10.384 1.00 52.24 H new ATOM 0 HH TYR A 122 6.811 0.527 12.275 1.00 30.20 H new ATOM 1879 N GLN A 123 4.309 -4.469 5.083 1.00 21.31 N ATOM 1880 CA GLN A 123 3.584 -4.998 3.934 1.00 32.31 C ATOM 1881 C GLN A 123 2.931 -6.335 4.271 1.00 41.03 C ATOM 1882 O GLN A 123 3.295 -6.984 5.250 1.00 23.34 O ATOM 1883 CB GLN A 123 4.527 -5.164 2.741 1.00 12.31 C ATOM 1884 CG GLN A 123 5.826 -5.873 3.087 1.00 61.35 C ATOM 1885 CD GLN A 123 6.283 -6.820 1.994 1.00 54.54 C ATOM 1886 OE1 GLN A 123 5.510 -7.647 1.510 1.00 54.00 O ATOM 1887 NE2 GLN A 123 7.545 -6.702 1.598 1.00 73.22 N ATOM 0 H GLN A 123 5.282 -4.229 4.894 1.00 21.31 H new ATOM 0 HA GLN A 123 2.800 -4.287 3.672 1.00 32.31 H new ATOM 0 HB2 GLN A 123 4.015 -5.724 1.958 1.00 12.31 H new ATOM 0 HB3 GLN A 123 4.757 -4.181 2.331 1.00 12.31 H new ATOM 0 HG2 GLN A 123 6.604 -5.131 3.268 1.00 61.35 H new ATOM 0 HG3 GLN A 123 5.695 -6.431 4.014 1.00 61.35 H new ATOM 0 HE21 GLN A 123 8.151 -6.002 2.027 1.00 73.22 H new ATOM 0 HE22 GLN A 123 7.909 -7.311 0.865 1.00 73.22 H new ATOM 1896 N GLU A 124 1.965 -6.739 3.452 1.00 71.11 N ATOM 1897 CA GLU A 124 1.261 -7.998 3.665 1.00 61.32 C ATOM 1898 C GLU A 124 2.166 -9.187 3.352 1.00 11.22 C ATOM 1899 O GLU A 124 2.668 -9.851 4.258 1.00 64.54 O ATOM 1900 CB GLU A 124 0.003 -8.058 2.796 1.00 63.44 C ATOM 1901 CG GLU A 124 -1.230 -8.540 3.542 1.00 64.23 C ATOM 1902 CD GLU A 124 -1.842 -9.779 2.918 1.00 71.14 C ATOM 1903 OE1 GLU A 124 -2.209 -9.724 1.725 1.00 13.14 O ATOM 1904 OE2 GLU A 124 -1.954 -10.804 3.622 1.00 22.22 O ATOM 0 H GLU A 124 1.652 -6.213 2.636 1.00 71.11 H new ATOM 0 HA GLU A 124 0.972 -8.050 4.715 1.00 61.32 H new ATOM 0 HB2 GLU A 124 -0.194 -7.067 2.388 1.00 63.44 H new ATOM 0 HB3 GLU A 124 0.187 -8.720 1.950 1.00 63.44 H new ATOM 0 HG2 GLU A 124 -0.964 -8.753 4.577 1.00 64.23 H new ATOM 0 HG3 GLU A 124 -1.973 -7.743 3.562 1.00 64.23 H new TER 1911 GLU A 124