USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 796 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 84 HIS : no HD1:sc= 0.715 K(o=2,f=-4.2!) USER MOD Set 1.2: A 86 THR OG1 : rot -81:sc= 1.3 USER MOD Set 2.1: A 52 SER OG : rot -49:sc= 0.212 USER MOD Set 2.2: A 55 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 4 THR OG1 : rot 180:sc= 0.201 USER MOD Set 3.2: A 6 LYS NZ :NH3+ -177:sc= 0.186 (180deg=0) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -94:sc= 0.0235 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.026) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 37:sc= 0.0383 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.11) USER MOD Single : A 19 LYS NZ :NH3+ -145:sc= -0.0409 (180deg=-0.614) USER MOD Single : A 20 SER OG : rot 27:sc= 0.0238 USER MOD Single : A 21 ASN : amide:sc= 0.632 K(o=0.63,f=-0.8) USER MOD Single : A 24 ASN : amide:sc= -0.512 K(o=-0.51,f=-4!) USER MOD Single : A 26 TYR OH : rot 127:sc= 1.07 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0.313 K(o=0.31,f=-1.7) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -123:sc= 0.0848 (180deg=-0.0251) USER MOD Single : A 42 ASN : amide:sc= 1.21 K(o=1.2,f=-4.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -140:sc= 0.223 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 109:sc= 0.18 USER MOD Single : A 83 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.027) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.255) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00849) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -0.661 -1.176 -0.075 1.00 40.43 N ATOM 2 CA MET A 0 -0.328 -2.014 -1.241 1.00 13.54 C ATOM 3 C MET A 0 0.821 -2.967 -0.909 1.00 65.51 C ATOM 4 O MET A 0 1.718 -2.612 -0.145 1.00 3.22 O ATOM 5 CB MET A 0 -0.017 -1.134 -2.461 1.00 33.41 C ATOM 6 CG MET A 0 0.239 -1.951 -3.735 1.00 11.03 C ATOM 7 SD MET A 0 0.516 -0.963 -5.231 1.00 13.32 S ATOM 8 CE MET A 0 -1.191 -0.535 -5.669 1.00 62.24 C ATOM 0 H1 MET A 0 -1.433 -1.620 0.463 1.00 40.43 H new ATOM 0 H2 MET A 0 0.176 -1.081 0.535 1.00 40.43 H new ATOM 0 H3 MET A 0 -0.962 -0.235 -0.399 1.00 40.43 H new ATOM 0 HA MET A 0 -1.192 -2.629 -1.495 1.00 13.54 H new ATOM 0 HB2 MET A 0 -0.850 -0.453 -2.633 1.00 33.41 H new ATOM 0 HB3 MET A 0 0.858 -0.520 -2.247 1.00 33.41 H new ATOM 0 HG2 MET A 0 1.108 -2.589 -3.572 1.00 11.03 H new ATOM 0 HG3 MET A 0 -0.613 -2.610 -3.904 1.00 11.03 H new ATOM 0 HE1 MET A 0 -1.193 0.075 -6.572 1.00 62.24 H new ATOM 0 HE2 MET A 0 -1.761 -1.447 -5.846 1.00 62.24 H new ATOM 0 HE3 MET A 0 -1.647 0.025 -4.852 1.00 62.24 H new ATOM 20 N ILE A 1 0.774 -4.182 -1.469 1.00 43.21 N ATOM 21 CA ILE A 1 1.739 -5.243 -1.224 1.00 15.33 C ATOM 22 C ILE A 1 1.883 -6.072 -2.502 1.00 14.30 C ATOM 23 O ILE A 1 0.972 -6.810 -2.868 1.00 13.15 O ATOM 24 CB ILE A 1 1.322 -6.074 0.012 1.00 64.23 C ATOM 25 CG1 ILE A 1 2.144 -7.366 0.160 1.00 64.43 C ATOM 26 CG2 ILE A 1 -0.171 -6.441 0.041 1.00 12.05 C ATOM 27 CD1 ILE A 1 3.643 -7.099 0.317 1.00 11.45 C ATOM 0 H ILE A 1 0.040 -4.455 -2.123 1.00 43.21 H new ATOM 0 HA ILE A 1 2.720 -4.834 -0.985 1.00 15.33 H new ATOM 0 HB ILE A 1 1.527 -5.410 0.852 1.00 64.23 H new ATOM 0 HG12 ILE A 1 1.786 -7.922 1.026 1.00 64.43 H new ATOM 0 HG13 ILE A 1 1.981 -7.997 -0.714 1.00 64.43 H new ATOM 0 HG21 ILE A 1 -0.385 -7.023 0.937 1.00 12.05 H new ATOM 0 HG22 ILE A 1 -0.770 -5.530 0.048 1.00 12.05 H new ATOM 0 HG23 ILE A 1 -0.418 -7.030 -0.842 1.00 12.05 H new ATOM 0 HD11 ILE A 1 4.173 -8.046 0.417 1.00 11.45 H new ATOM 0 HD12 ILE A 1 4.012 -6.568 -0.561 1.00 11.45 H new ATOM 0 HD13 ILE A 1 3.813 -6.492 1.206 1.00 11.45 H new ATOM 39 N GLN A 2 3.027 -5.933 -3.186 1.00 13.04 N ATOM 40 CA GLN A 2 3.310 -6.618 -4.442 1.00 72.33 C ATOM 41 C GLN A 2 4.149 -7.873 -4.192 1.00 71.15 C ATOM 42 O GLN A 2 5.272 -7.994 -4.679 1.00 42.11 O ATOM 43 CB GLN A 2 3.986 -5.638 -5.412 1.00 40.14 C ATOM 44 CG GLN A 2 3.005 -4.535 -5.829 1.00 1.12 C ATOM 45 CD GLN A 2 3.595 -3.630 -6.907 1.00 40.41 C ATOM 46 OE1 GLN A 2 4.129 -2.566 -6.602 1.00 52.34 O ATOM 47 NE2 GLN A 2 3.490 -4.045 -8.172 1.00 31.42 N ATOM 0 H GLN A 2 3.789 -5.332 -2.873 1.00 13.04 H new ATOM 0 HA GLN A 2 2.381 -6.955 -4.902 1.00 72.33 H new ATOM 0 HB2 GLN A 2 4.862 -5.194 -4.939 1.00 40.14 H new ATOM 0 HB3 GLN A 2 4.337 -6.174 -6.294 1.00 40.14 H new ATOM 0 HG2 GLN A 2 2.085 -4.988 -6.198 1.00 1.12 H new ATOM 0 HG3 GLN A 2 2.739 -3.937 -4.958 1.00 1.12 H new ATOM 0 HE21 GLN A 2 3.039 -4.936 -8.381 1.00 31.42 H new ATOM 0 HE22 GLN A 2 3.861 -3.471 -8.929 1.00 31.42 H new ATOM 56 N ARG A 3 3.578 -8.813 -3.433 1.00 4.11 N ATOM 57 CA ARG A 3 4.194 -10.089 -3.099 1.00 34.22 C ATOM 58 C ARG A 3 4.268 -10.982 -4.344 1.00 13.12 C ATOM 59 O ARG A 3 3.336 -11.006 -5.145 1.00 54.14 O ATOM 60 CB ARG A 3 3.375 -10.755 -1.984 1.00 33.14 C ATOM 61 CG ARG A 3 4.234 -11.673 -1.106 1.00 71.55 C ATOM 62 CD ARG A 3 3.396 -12.381 -0.035 1.00 25.50 C ATOM 63 NE ARG A 3 2.672 -11.444 0.836 1.00 71.41 N ATOM 64 CZ ARG A 3 1.738 -11.826 1.723 1.00 15.24 C ATOM 65 NH1 ARG A 3 1.505 -13.127 1.945 1.00 51.23 N ATOM 66 NH2 ARG A 3 1.024 -10.905 2.385 1.00 41.22 N ATOM 0 H ARG A 3 2.650 -8.699 -3.026 1.00 4.11 H new ATOM 0 HA ARG A 3 5.213 -9.933 -2.746 1.00 34.22 H new ATOM 0 HB2 ARG A 3 2.916 -9.986 -1.363 1.00 33.14 H new ATOM 0 HB3 ARG A 3 2.564 -11.333 -2.427 1.00 33.14 H new ATOM 0 HG2 ARG A 3 4.728 -12.416 -1.731 1.00 71.55 H new ATOM 0 HG3 ARG A 3 5.018 -11.088 -0.626 1.00 71.55 H new ATOM 0 HD2 ARG A 3 2.681 -13.045 -0.521 1.00 25.50 H new ATOM 0 HD3 ARG A 3 4.048 -13.006 0.575 1.00 25.50 H new ATOM 0 HE ARG A 3 2.890 -10.450 0.763 1.00 71.41 H new ATOM 0 HH11 ARG A 3 2.038 -13.834 1.439 1.00 51.23 H new ATOM 0 HH12 ARG A 3 0.794 -13.410 2.620 1.00 51.23 H new ATOM 0 HH21 ARG A 3 1.189 -9.913 2.216 1.00 41.22 H new ATOM 0 HH22 ARG A 3 0.315 -11.196 3.058 1.00 41.22 H new ATOM 80 N THR A 4 5.387 -11.701 -4.503 1.00 24.42 N ATOM 81 CA THR A 4 5.658 -12.583 -5.633 1.00 52.34 C ATOM 82 C THR A 4 5.236 -14.020 -5.300 1.00 24.22 C ATOM 83 O THR A 4 5.191 -14.382 -4.125 1.00 3.40 O ATOM 84 CB THR A 4 7.159 -12.524 -5.970 1.00 31.33 C ATOM 85 OG1 THR A 4 7.945 -12.651 -4.801 1.00 3.02 O ATOM 86 CG2 THR A 4 7.503 -11.209 -6.674 1.00 35.42 C ATOM 0 H THR A 4 6.149 -11.680 -3.825 1.00 24.42 H new ATOM 0 HA THR A 4 5.082 -12.254 -6.498 1.00 52.34 H new ATOM 0 HB THR A 4 7.381 -13.357 -6.637 1.00 31.33 H new ATOM 0 HG1 THR A 4 8.895 -12.612 -5.040 1.00 3.02 H new ATOM 0 HG21 THR A 4 8.568 -11.187 -6.904 1.00 35.42 H new ATOM 0 HG22 THR A 4 6.931 -11.131 -7.598 1.00 35.42 H new ATOM 0 HG23 THR A 4 7.255 -10.371 -6.022 1.00 35.42 H new ATOM 94 N PRO A 5 4.955 -14.859 -6.314 1.00 0.33 N ATOM 95 CA PRO A 5 4.667 -16.273 -6.119 1.00 0.00 C ATOM 96 C PRO A 5 5.891 -16.988 -5.547 1.00 5.15 C ATOM 97 O PRO A 5 6.942 -17.023 -6.189 1.00 44.32 O ATOM 98 CB PRO A 5 4.306 -16.821 -7.504 1.00 13.34 C ATOM 99 CG PRO A 5 4.973 -15.848 -8.476 1.00 33.34 C ATOM 100 CD PRO A 5 4.914 -14.517 -7.729 1.00 54.55 C ATOM 0 HA PRO A 5 3.853 -16.429 -5.411 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.677 -17.837 -7.640 1.00 13.34 H new ATOM 0 HB3 PRO A 5 3.226 -16.854 -7.651 1.00 13.34 H new ATOM 0 HG2 PRO A 5 5.999 -16.140 -8.698 1.00 33.34 H new ATOM 0 HG3 PRO A 5 4.442 -15.801 -9.427 1.00 33.34 H new ATOM 0 HD2 PRO A 5 5.753 -13.877 -8.002 1.00 54.55 H new ATOM 0 HD3 PRO A 5 4.003 -13.970 -7.974 1.00 54.55 H new ATOM 108 N LYS A 6 5.750 -17.565 -4.346 1.00 20.43 N ATOM 109 CA LYS A 6 6.781 -18.393 -3.738 1.00 0.10 C ATOM 110 C LYS A 6 6.719 -19.779 -4.388 1.00 42.44 C ATOM 111 O LYS A 6 6.085 -20.695 -3.867 1.00 4.12 O ATOM 112 CB LYS A 6 6.599 -18.455 -2.214 1.00 60.51 C ATOM 113 CG LYS A 6 6.624 -17.094 -1.499 1.00 0.44 C ATOM 114 CD LYS A 6 7.973 -16.362 -1.588 1.00 22.55 C ATOM 115 CE LYS A 6 7.941 -15.238 -2.629 1.00 34.54 C ATOM 116 NZ LYS A 6 9.223 -14.516 -2.689 1.00 24.12 N ATOM 0 H LYS A 6 4.912 -17.466 -3.773 1.00 20.43 H new ATOM 0 HA LYS A 6 7.769 -17.965 -3.909 1.00 0.10 H new ATOM 0 HB2 LYS A 6 5.650 -18.945 -1.997 1.00 60.51 H new ATOM 0 HB3 LYS A 6 7.385 -19.083 -1.795 1.00 60.51 H new ATOM 0 HG2 LYS A 6 5.849 -16.457 -1.926 1.00 0.44 H new ATOM 0 HG3 LYS A 6 6.372 -17.243 -0.449 1.00 0.44 H new ATOM 0 HD2 LYS A 6 8.227 -15.947 -0.612 1.00 22.55 H new ATOM 0 HD3 LYS A 6 8.757 -17.074 -1.845 1.00 22.55 H new ATOM 0 HE2 LYS A 6 7.712 -15.656 -3.609 1.00 34.54 H new ATOM 0 HE3 LYS A 6 7.141 -14.539 -2.386 1.00 34.54 H new ATOM 0 HZ1 LYS A 6 9.148 -13.731 -3.367 1.00 24.12 H new ATOM 0 HZ2 LYS A 6 9.454 -14.139 -1.747 1.00 24.12 H new ATOM 0 HZ3 LYS A 6 9.974 -15.167 -2.995 1.00 24.12 H new ATOM 130 N ILE A 7 7.371 -19.903 -5.550 1.00 52.52 N ATOM 131 CA ILE A 7 7.407 -21.101 -6.378 1.00 21.54 C ATOM 132 C ILE A 7 7.954 -22.315 -5.616 1.00 72.25 C ATOM 133 O ILE A 7 9.034 -22.252 -5.033 1.00 11.31 O ATOM 134 CB ILE A 7 8.251 -20.841 -7.641 1.00 11.22 C ATOM 135 CG1 ILE A 7 9.601 -20.163 -7.329 1.00 22.10 C ATOM 136 CG2 ILE A 7 7.461 -20.001 -8.652 1.00 64.31 C ATOM 137 CD1 ILE A 7 10.677 -20.604 -8.321 1.00 0.22 C ATOM 0 H ILE A 7 7.909 -19.135 -5.951 1.00 52.52 H new ATOM 0 HA ILE A 7 6.381 -21.334 -6.664 1.00 21.54 H new ATOM 0 HB ILE A 7 8.475 -21.816 -8.073 1.00 11.22 H new ATOM 0 HG12 ILE A 7 9.486 -19.080 -7.369 1.00 22.10 H new ATOM 0 HG13 ILE A 7 9.912 -20.413 -6.315 1.00 22.10 H new ATOM 0 HG21 ILE A 7 8.073 -19.827 -9.537 1.00 64.31 H new ATOM 0 HG22 ILE A 7 6.553 -20.533 -8.937 1.00 64.31 H new ATOM 0 HG23 ILE A 7 7.195 -19.045 -8.202 1.00 64.31 H new ATOM 0 HD11 ILE A 7 11.619 -20.112 -8.079 1.00 0.22 H new ATOM 0 HD12 ILE A 7 10.806 -21.685 -8.261 1.00 0.22 H new ATOM 0 HD13 ILE A 7 10.374 -20.331 -9.332 1.00 0.22 H new ATOM 149 N GLN A 8 7.212 -23.428 -5.652 1.00 21.44 N ATOM 150 CA GLN A 8 7.649 -24.728 -5.160 1.00 41.13 C ATOM 151 C GLN A 8 7.188 -25.783 -6.167 1.00 1.51 C ATOM 152 O GLN A 8 6.087 -26.312 -6.036 1.00 64.11 O ATOM 153 CB GLN A 8 7.068 -24.989 -3.759 1.00 1.24 C ATOM 154 CG GLN A 8 7.721 -24.146 -2.655 1.00 62.54 C ATOM 155 CD GLN A 8 9.199 -24.482 -2.458 1.00 20.31 C ATOM 156 OE1 GLN A 8 10.067 -23.641 -2.685 1.00 31.21 O ATOM 157 NE2 GLN A 8 9.490 -25.712 -2.027 1.00 55.04 N ATOM 0 H GLN A 8 6.267 -23.444 -6.035 1.00 21.44 H new ATOM 0 HA GLN A 8 8.734 -24.764 -5.065 1.00 41.13 H new ATOM 0 HB2 GLN A 8 5.997 -24.785 -3.775 1.00 1.24 H new ATOM 0 HB3 GLN A 8 7.187 -26.045 -3.517 1.00 1.24 H new ATOM 0 HG2 GLN A 8 7.622 -23.089 -2.903 1.00 62.54 H new ATOM 0 HG3 GLN A 8 7.188 -24.305 -1.718 1.00 62.54 H new ATOM 0 HE21 GLN A 8 8.741 -26.381 -1.850 1.00 55.04 H new ATOM 0 HE22 GLN A 8 10.462 -25.982 -1.875 1.00 55.04 H new ATOM 166 N VAL A 9 8.019 -26.063 -7.181 1.00 14.21 N ATOM 167 CA VAL A 9 7.698 -26.971 -8.278 1.00 41.24 C ATOM 168 C VAL A 9 8.292 -28.352 -8.003 1.00 15.32 C ATOM 169 O VAL A 9 9.423 -28.638 -8.392 1.00 62.23 O ATOM 170 CB VAL A 9 8.219 -26.413 -9.611 1.00 61.43 C ATOM 171 CG1 VAL A 9 7.718 -27.255 -10.794 1.00 40.22 C ATOM 172 CG2 VAL A 9 7.788 -24.963 -9.845 1.00 0.02 C ATOM 0 H VAL A 9 8.950 -25.654 -7.258 1.00 14.21 H new ATOM 0 HA VAL A 9 6.614 -27.064 -8.351 1.00 41.24 H new ATOM 0 HB VAL A 9 9.306 -26.454 -9.548 1.00 61.43 H new ATOM 0 HG11 VAL A 9 8.101 -26.838 -11.725 1.00 40.22 H new ATOM 0 HG12 VAL A 9 8.068 -28.281 -10.684 1.00 40.22 H new ATOM 0 HG13 VAL A 9 6.628 -27.244 -10.813 1.00 40.22 H new ATOM 0 HG21 VAL A 9 8.182 -24.616 -10.800 1.00 0.02 H new ATOM 0 HG22 VAL A 9 6.700 -24.905 -9.858 1.00 0.02 H new ATOM 0 HG23 VAL A 9 8.175 -24.334 -9.043 1.00 0.02 H new ATOM 182 N TYR A 10 7.512 -29.201 -7.331 1.00 43.34 N ATOM 183 CA TYR A 10 7.901 -30.562 -6.975 1.00 53.42 C ATOM 184 C TYR A 10 7.093 -31.585 -7.772 1.00 33.22 C ATOM 185 O TYR A 10 5.963 -31.310 -8.170 1.00 25.20 O ATOM 186 CB TYR A 10 7.725 -30.782 -5.467 1.00 51.33 C ATOM 187 CG TYR A 10 6.304 -30.706 -4.934 1.00 52.44 C ATOM 188 CD1 TYR A 10 5.756 -29.470 -4.541 1.00 52.42 C ATOM 189 CD2 TYR A 10 5.568 -31.889 -4.733 1.00 3.13 C ATOM 190 CE1 TYR A 10 4.463 -29.415 -3.990 1.00 14.13 C ATOM 191 CE2 TYR A 10 4.277 -31.834 -4.180 1.00 0.51 C ATOM 192 CZ TYR A 10 3.716 -30.594 -3.828 1.00 14.02 C ATOM 193 OH TYR A 10 2.444 -30.535 -3.339 1.00 15.51 O ATOM 0 H TYR A 10 6.574 -28.954 -7.014 1.00 43.34 H new ATOM 0 HA TYR A 10 8.953 -30.700 -7.226 1.00 53.42 H new ATOM 0 HB2 TYR A 10 8.132 -31.761 -5.215 1.00 51.33 H new ATOM 0 HB3 TYR A 10 8.327 -30.041 -4.941 1.00 51.33 H new ATOM 0 HD1 TYR A 10 6.329 -28.563 -4.663 1.00 52.42 H new ATOM 0 HD2 TYR A 10 5.997 -32.842 -5.005 1.00 3.13 H new ATOM 0 HE1 TYR A 10 4.044 -28.466 -3.691 1.00 14.13 H new ATOM 0 HE2 TYR A 10 3.716 -32.744 -4.026 1.00 0.51 H new ATOM 0 HH TYR A 10 2.070 -31.439 -3.291 1.00 15.51 H new ATOM 203 N SER A 11 7.656 -32.783 -7.962 1.00 23.12 N ATOM 204 CA SER A 11 6.912 -33.948 -8.422 1.00 42.11 C ATOM 205 C SER A 11 6.342 -34.667 -7.201 1.00 3.21 C ATOM 206 O SER A 11 7.078 -34.950 -6.256 1.00 51.05 O ATOM 207 CB SER A 11 7.810 -34.883 -9.237 1.00 31.20 C ATOM 208 OG SER A 11 9.029 -35.132 -8.570 1.00 44.54 O ATOM 0 H SER A 11 8.646 -32.967 -7.799 1.00 23.12 H new ATOM 0 HA SER A 11 6.100 -33.632 -9.076 1.00 42.11 H new ATOM 0 HB2 SER A 11 7.291 -35.825 -9.415 1.00 31.20 H new ATOM 0 HB3 SER A 11 8.010 -34.440 -10.212 1.00 31.20 H new ATOM 0 HG SER A 11 8.867 -35.198 -7.606 1.00 44.54 H new ATOM 214 N ARG A 12 5.036 -34.957 -7.219 1.00 3.34 N ATOM 215 CA ARG A 12 4.355 -35.677 -6.151 1.00 43.21 C ATOM 216 C ARG A 12 5.024 -37.033 -5.933 1.00 71.13 C ATOM 217 O ARG A 12 5.449 -37.351 -4.823 1.00 22.33 O ATOM 218 CB ARG A 12 2.870 -35.862 -6.509 1.00 24.54 C ATOM 219 CG ARG A 12 2.068 -36.613 -5.438 1.00 2.25 C ATOM 220 CD ARG A 12 2.018 -35.842 -4.115 1.00 31.25 C ATOM 221 NE ARG A 12 1.151 -36.515 -3.142 1.00 3.32 N ATOM 222 CZ ARG A 12 0.835 -36.023 -1.933 1.00 44.11 C ATOM 223 NH1 ARG A 12 1.286 -34.823 -1.536 1.00 41.03 N ATOM 224 NH2 ARG A 12 0.059 -36.743 -1.111 1.00 62.33 N ATOM 0 H ARG A 12 4.420 -34.692 -7.988 1.00 3.34 H new ATOM 0 HA ARG A 12 4.422 -35.101 -5.228 1.00 43.21 H new ATOM 0 HB2 ARG A 12 2.419 -34.883 -6.668 1.00 24.54 H new ATOM 0 HB3 ARG A 12 2.797 -36.404 -7.452 1.00 24.54 H new ATOM 0 HG2 ARG A 12 1.053 -36.783 -5.797 1.00 2.25 H new ATOM 0 HG3 ARG A 12 2.515 -37.593 -5.270 1.00 2.25 H new ATOM 0 HD2 ARG A 12 3.024 -35.749 -3.707 1.00 31.25 H new ATOM 0 HD3 ARG A 12 1.652 -34.831 -4.294 1.00 31.25 H new ATOM 0 HE ARG A 12 0.760 -37.421 -3.402 1.00 3.32 H new ATOM 0 HH11 ARG A 12 1.878 -34.270 -2.156 1.00 41.03 H new ATOM 0 HH12 ARG A 12 1.037 -34.464 -0.614 1.00 41.03 H new ATOM 0 HH21 ARG A 12 -0.286 -37.656 -1.406 1.00 62.33 H new ATOM 0 HH22 ARG A 12 -0.186 -36.378 -0.191 1.00 62.33 H new ATOM 238 N HIS A 13 5.102 -37.820 -7.010 1.00 13.00 N ATOM 239 CA HIS A 13 5.678 -39.154 -7.029 1.00 20.21 C ATOM 240 C HIS A 13 7.161 -39.063 -7.416 1.00 42.52 C ATOM 241 O HIS A 13 7.545 -38.126 -8.115 1.00 14.25 O ATOM 242 CB HIS A 13 4.874 -39.994 -8.030 1.00 35.13 C ATOM 243 CG HIS A 13 3.414 -40.078 -7.670 1.00 14.42 C ATOM 244 ND1 HIS A 13 2.927 -40.964 -6.723 1.00 21.55 N ATOM 245 CD2 HIS A 13 2.322 -39.352 -8.084 1.00 32.55 C ATOM 246 CE1 HIS A 13 1.606 -40.741 -6.613 1.00 22.54 C ATOM 247 NE2 HIS A 13 1.174 -39.766 -7.416 1.00 22.30 N ATOM 0 H HIS A 13 4.751 -37.528 -7.922 1.00 13.00 H new ATOM 0 HA HIS A 13 5.628 -39.627 -6.048 1.00 20.21 H new ATOM 0 HB2 HIS A 13 4.975 -39.562 -9.026 1.00 35.13 H new ATOM 0 HB3 HIS A 13 5.292 -40.999 -8.075 1.00 35.13 H new ATOM 0 HD2 HIS A 13 2.351 -38.568 -8.826 1.00 32.55 H new ATOM 0 HE1 HIS A 13 0.962 -41.293 -5.945 1.00 22.54 H new ATOM 0 HE2 HIS A 13 0.224 -39.408 -7.516 1.00 22.30 H new ATOM 255 N PRO A 14 8.003 -40.019 -6.985 1.00 22.51 N ATOM 256 CA PRO A 14 9.414 -40.077 -7.350 1.00 31.31 C ATOM 257 C PRO A 14 9.548 -40.388 -8.843 1.00 5.20 C ATOM 258 O PRO A 14 8.786 -41.197 -9.364 1.00 12.33 O ATOM 259 CB PRO A 14 10.008 -41.189 -6.480 1.00 32.12 C ATOM 260 CG PRO A 14 8.819 -42.120 -6.247 1.00 31.40 C ATOM 261 CD PRO A 14 7.653 -41.141 -6.129 1.00 23.42 C ATOM 0 HA PRO A 14 9.935 -39.134 -7.184 1.00 31.31 H new ATOM 0 HB2 PRO A 14 10.828 -41.701 -6.984 1.00 32.12 H new ATOM 0 HB3 PRO A 14 10.404 -40.799 -5.542 1.00 32.12 H new ATOM 0 HG2 PRO A 14 8.681 -42.818 -7.073 1.00 31.40 H new ATOM 0 HG3 PRO A 14 8.941 -42.717 -5.343 1.00 31.40 H new ATOM 0 HD2 PRO A 14 6.719 -41.602 -6.449 1.00 23.42 H new ATOM 0 HD3 PRO A 14 7.513 -40.819 -5.097 1.00 23.42 H new ATOM 269 N ALA A 15 10.481 -39.714 -9.530 1.00 72.23 N ATOM 270 CA ALA A 15 10.596 -39.717 -10.985 1.00 23.50 C ATOM 271 C ALA A 15 10.990 -41.093 -11.530 1.00 43.44 C ATOM 272 O ALA A 15 12.177 -41.394 -11.652 1.00 43.25 O ATOM 273 CB ALA A 15 11.596 -38.638 -11.415 1.00 63.14 C ATOM 0 H ALA A 15 11.190 -39.140 -9.074 1.00 72.23 H new ATOM 0 HA ALA A 15 9.618 -39.491 -11.409 1.00 23.50 H new ATOM 0 HB1 ALA A 15 11.685 -38.637 -12.501 1.00 63.14 H new ATOM 0 HB2 ALA A 15 11.246 -37.662 -11.078 1.00 63.14 H new ATOM 0 HB3 ALA A 15 12.570 -38.847 -10.971 1.00 63.14 H new ATOM 279 N GLU A 16 9.990 -41.912 -11.885 1.00 51.54 N ATOM 280 CA GLU A 16 10.189 -43.233 -12.467 1.00 64.41 C ATOM 281 C GLU A 16 10.233 -43.124 -13.992 1.00 60.31 C ATOM 282 O GLU A 16 9.366 -42.494 -14.595 1.00 20.30 O ATOM 283 CB GLU A 16 9.061 -44.183 -12.043 1.00 73.22 C ATOM 284 CG GLU A 16 8.928 -44.396 -10.528 1.00 11.32 C ATOM 285 CD GLU A 16 10.265 -44.662 -9.843 1.00 1.11 C ATOM 286 OE1 GLU A 16 10.806 -45.768 -10.064 1.00 35.32 O ATOM 287 OE2 GLU A 16 10.720 -43.756 -9.111 1.00 43.42 O ATOM 0 H GLU A 16 9.007 -41.665 -11.771 1.00 51.54 H new ATOM 0 HA GLU A 16 11.135 -43.636 -12.106 1.00 64.41 H new ATOM 0 HB2 GLU A 16 8.117 -43.795 -12.425 1.00 73.22 H new ATOM 0 HB3 GLU A 16 9.223 -45.151 -12.518 1.00 73.22 H new ATOM 0 HG2 GLU A 16 8.467 -43.515 -10.082 1.00 11.32 H new ATOM 0 HG3 GLU A 16 8.258 -45.235 -10.342 1.00 11.32 H new ATOM 294 N ASN A 17 11.238 -43.756 -14.611 1.00 31.35 N ATOM 295 CA ASN A 17 11.443 -43.744 -16.053 1.00 0.20 C ATOM 296 C ASN A 17 10.296 -44.463 -16.767 1.00 32.34 C ATOM 297 O ASN A 17 9.955 -45.591 -16.412 1.00 43.44 O ATOM 298 CB ASN A 17 12.790 -44.405 -16.371 1.00 14.44 C ATOM 299 CG ASN A 17 13.123 -44.347 -17.861 1.00 22.32 C ATOM 300 OD1 ASN A 17 12.687 -45.200 -18.631 1.00 40.05 O ATOM 301 ND2 ASN A 17 13.907 -43.346 -18.267 1.00 35.22 N ATOM 0 H ASN A 17 11.941 -44.298 -14.109 1.00 31.35 H new ATOM 0 HA ASN A 17 11.457 -42.715 -16.411 1.00 0.20 H new ATOM 0 HB2 ASN A 17 13.579 -43.910 -15.805 1.00 14.44 H new ATOM 0 HB3 ASN A 17 12.768 -45.445 -16.045 1.00 14.44 H new ATOM 0 HD21 ASN A 17 14.166 -43.268 -19.250 1.00 35.22 H new ATOM 0 HD22 ASN A 17 14.247 -42.659 -17.594 1.00 35.22 H new ATOM 308 N GLY A 18 9.708 -43.801 -17.772 1.00 2.43 N ATOM 309 CA GLY A 18 8.619 -44.329 -18.580 1.00 3.41 C ATOM 310 C GLY A 18 7.393 -44.673 -17.734 1.00 35.24 C ATOM 311 O GLY A 18 6.814 -45.745 -17.899 1.00 44.11 O ATOM 0 H GLY A 18 9.989 -42.860 -18.047 1.00 2.43 H new ATOM 0 HA2 GLY A 18 8.342 -43.597 -19.338 1.00 3.41 H new ATOM 0 HA3 GLY A 18 8.958 -45.221 -19.107 1.00 3.41 H new ATOM 315 N LYS A 19 7.010 -43.768 -16.826 1.00 40.13 N ATOM 316 CA LYS A 19 5.922 -43.972 -15.880 1.00 34.50 C ATOM 317 C LYS A 19 5.528 -42.619 -15.294 1.00 2.14 C ATOM 318 O LYS A 19 6.393 -41.843 -14.897 1.00 42.24 O ATOM 319 CB LYS A 19 6.369 -44.949 -14.786 1.00 32.43 C ATOM 320 CG LYS A 19 5.400 -44.978 -13.599 1.00 24.14 C ATOM 321 CD LYS A 19 5.833 -46.040 -12.583 1.00 2.02 C ATOM 322 CE LYS A 19 5.054 -45.917 -11.268 1.00 52.52 C ATOM 323 NZ LYS A 19 5.329 -44.644 -10.577 1.00 62.12 N ATOM 0 H LYS A 19 7.460 -42.858 -16.731 1.00 40.13 H new ATOM 0 HA LYS A 19 5.054 -44.405 -16.378 1.00 34.50 H new ATOM 0 HB2 LYS A 19 6.452 -45.950 -15.208 1.00 32.43 H new ATOM 0 HB3 LYS A 19 7.362 -44.668 -14.435 1.00 32.43 H new ATOM 0 HG2 LYS A 19 5.371 -43.999 -13.121 1.00 24.14 H new ATOM 0 HG3 LYS A 19 4.391 -45.192 -13.950 1.00 24.14 H new ATOM 0 HD2 LYS A 19 5.679 -47.033 -13.006 1.00 2.02 H new ATOM 0 HD3 LYS A 19 6.900 -45.940 -12.385 1.00 2.02 H new ATOM 0 HE2 LYS A 19 3.986 -45.995 -11.471 1.00 52.52 H new ATOM 0 HE3 LYS A 19 5.316 -46.748 -10.613 1.00 52.52 H new ATOM 0 HZ1 LYS A 19 5.319 -44.798 -9.549 1.00 62.12 H new ATOM 0 HZ2 LYS A 19 6.263 -44.287 -10.865 1.00 62.12 H new ATOM 0 HZ3 LYS A 19 4.599 -43.947 -10.830 1.00 62.12 H new ATOM 337 N SER A 20 4.217 -42.359 -15.243 1.00 33.11 N ATOM 338 CA SER A 20 3.631 -41.054 -14.965 1.00 33.34 C ATOM 339 C SER A 20 3.991 -40.503 -13.581 1.00 33.13 C ATOM 340 O SER A 20 4.188 -41.254 -12.626 1.00 72.21 O ATOM 341 CB SER A 20 2.112 -41.127 -15.157 1.00 64.35 C ATOM 342 OG SER A 20 1.527 -39.842 -15.084 1.00 24.30 O ATOM 0 H SER A 20 3.514 -43.081 -15.401 1.00 33.11 H new ATOM 0 HA SER A 20 4.060 -40.347 -15.676 1.00 33.34 H new ATOM 0 HB2 SER A 20 1.886 -41.578 -16.123 1.00 64.35 H new ATOM 0 HB3 SER A 20 1.677 -41.772 -14.394 1.00 64.35 H new ATOM 0 HG SER A 20 2.186 -39.167 -15.350 1.00 24.30 H new ATOM 348 N ASN A 21 4.056 -39.169 -13.507 1.00 51.34 N ATOM 349 CA ASN A 21 4.341 -38.371 -12.327 1.00 3.15 C ATOM 350 C ASN A 21 3.513 -37.090 -12.413 1.00 71.21 C ATOM 351 O ASN A 21 3.338 -36.542 -13.498 1.00 62.43 O ATOM 352 CB ASN A 21 5.834 -38.024 -12.291 1.00 20.32 C ATOM 353 CG ASN A 21 6.687 -39.238 -11.944 1.00 24.22 C ATOM 354 OD1 ASN A 21 7.100 -39.990 -12.821 1.00 2.01 O ATOM 355 ND2 ASN A 21 6.956 -39.433 -10.656 1.00 3.02 N ATOM 0 H ASN A 21 3.899 -38.587 -14.330 1.00 51.34 H new ATOM 0 HA ASN A 21 4.089 -38.923 -11.422 1.00 3.15 H new ATOM 0 HB2 ASN A 21 6.139 -37.630 -13.260 1.00 20.32 H new ATOM 0 HB3 ASN A 21 6.007 -37.236 -11.558 1.00 20.32 H new ATOM 0 HD21 ASN A 21 7.524 -40.230 -10.369 1.00 3.02 H new ATOM 0 HD22 ASN A 21 6.594 -38.785 -9.956 1.00 3.02 H new ATOM 362 N PHE A 22 2.999 -36.615 -11.274 1.00 32.23 N ATOM 363 CA PHE A 22 2.185 -35.409 -11.196 1.00 32.30 C ATOM 364 C PHE A 22 3.070 -34.235 -10.789 1.00 3.10 C ATOM 365 O PHE A 22 3.672 -34.275 -9.720 1.00 1.42 O ATOM 366 CB PHE A 22 1.053 -35.606 -10.177 1.00 44.31 C ATOM 367 CG PHE A 22 -0.118 -36.436 -10.674 1.00 3.44 C ATOM 368 CD1 PHE A 22 -1.390 -35.845 -10.806 1.00 11.02 C ATOM 369 CD2 PHE A 22 0.052 -37.796 -11.000 1.00 52.32 C ATOM 370 CE1 PHE A 22 -2.469 -36.592 -11.308 1.00 31.12 C ATOM 371 CE2 PHE A 22 -1.024 -38.539 -11.514 1.00 41.33 C ATOM 372 CZ PHE A 22 -2.283 -37.936 -11.674 1.00 60.13 C ATOM 0 H PHE A 22 3.142 -37.067 -10.371 1.00 32.23 H new ATOM 0 HA PHE A 22 1.739 -35.202 -12.169 1.00 32.30 H new ATOM 0 HB2 PHE A 22 1.464 -36.081 -9.286 1.00 44.31 H new ATOM 0 HB3 PHE A 22 0.683 -34.627 -9.874 1.00 44.31 H new ATOM 0 HD1 PHE A 22 -1.536 -34.814 -10.520 1.00 11.02 H new ATOM 0 HD2 PHE A 22 1.012 -38.269 -10.854 1.00 52.32 H new ATOM 0 HE1 PHE A 22 -3.441 -36.133 -11.413 1.00 31.12 H new ATOM 0 HE2 PHE A 22 -0.883 -39.575 -11.786 1.00 41.33 H new ATOM 0 HZ PHE A 22 -3.107 -38.505 -12.078 1.00 60.13 H new ATOM 382 N LEU A 23 3.123 -33.180 -11.615 1.00 2.31 N ATOM 383 CA LEU A 23 3.809 -31.940 -11.263 1.00 52.55 C ATOM 384 C LEU A 23 2.989 -31.223 -10.191 1.00 3.11 C ATOM 385 O LEU A 23 1.803 -31.500 -10.044 1.00 11.44 O ATOM 386 CB LEU A 23 3.980 -31.060 -12.516 1.00 21.41 C ATOM 387 CG LEU A 23 5.085 -29.989 -12.424 1.00 72.34 C ATOM 388 CD1 LEU A 23 6.477 -30.616 -12.267 1.00 41.21 C ATOM 389 CD2 LEU A 23 5.078 -29.142 -13.701 1.00 32.13 C ATOM 0 H LEU A 23 2.692 -33.167 -12.540 1.00 2.31 H new ATOM 0 HA LEU A 23 4.804 -32.152 -10.871 1.00 52.55 H new ATOM 0 HB2 LEU A 23 4.194 -31.706 -13.367 1.00 21.41 H new ATOM 0 HB3 LEU A 23 3.032 -30.563 -12.723 1.00 21.41 H new ATOM 0 HG LEU A 23 4.879 -29.377 -11.546 1.00 72.34 H new ATOM 0 HD11 LEU A 23 7.227 -29.827 -12.206 1.00 41.21 H new ATOM 0 HD12 LEU A 23 6.506 -31.215 -11.357 1.00 41.21 H new ATOM 0 HD13 LEU A 23 6.689 -31.252 -13.127 1.00 41.21 H new ATOM 0 HD21 LEU A 23 5.858 -28.384 -13.639 1.00 32.13 H new ATOM 0 HD22 LEU A 23 5.262 -29.783 -14.563 1.00 32.13 H new ATOM 0 HD23 LEU A 23 4.108 -28.656 -13.810 1.00 32.13 H new ATOM 401 N ASN A 24 3.608 -30.318 -9.430 1.00 41.34 N ATOM 402 CA ASN A 24 2.926 -29.529 -8.417 1.00 33.13 C ATOM 403 C ASN A 24 3.561 -28.148 -8.389 1.00 41.24 C ATOM 404 O ASN A 24 4.330 -27.846 -7.481 1.00 13.43 O ATOM 405 CB ASN A 24 3.041 -30.211 -7.050 1.00 14.31 C ATOM 406 CG ASN A 24 2.442 -31.612 -7.042 1.00 35.50 C ATOM 407 OD1 ASN A 24 3.180 -32.592 -7.103 1.00 54.05 O ATOM 408 ND2 ASN A 24 1.113 -31.712 -6.971 1.00 51.13 N ATOM 0 H ASN A 24 4.605 -30.115 -9.505 1.00 41.34 H new ATOM 0 HA ASN A 24 1.865 -29.441 -8.653 1.00 33.13 H new ATOM 0 HB2 ASN A 24 4.091 -30.267 -6.763 1.00 14.31 H new ATOM 0 HB3 ASN A 24 2.538 -29.601 -6.300 1.00 14.31 H new ATOM 0 HD21 ASN A 24 0.670 -32.631 -6.966 1.00 51.13 H new ATOM 0 HD22 ASN A 24 0.540 -30.870 -6.922 1.00 51.13 H new ATOM 415 N CYS A 25 3.234 -27.312 -9.382 1.00 0.25 N ATOM 416 CA CYS A 25 3.722 -25.942 -9.449 1.00 13.00 C ATOM 417 C CYS A 25 2.952 -25.091 -8.440 1.00 51.12 C ATOM 418 O CYS A 25 1.935 -24.484 -8.770 1.00 23.50 O ATOM 419 CB CYS A 25 3.642 -25.413 -10.885 1.00 4.42 C ATOM 420 SG CYS A 25 4.326 -23.749 -11.099 1.00 4.12 S ATOM 0 H CYS A 25 2.624 -27.572 -10.157 1.00 0.25 H new ATOM 0 HA CYS A 25 4.776 -25.896 -9.176 1.00 13.00 H new ATOM 0 HB2 CYS A 25 4.173 -26.100 -11.544 1.00 4.42 H new ATOM 0 HB3 CYS A 25 2.599 -25.409 -11.202 1.00 4.42 H new ATOM 425 N TYR A 26 3.436 -25.100 -7.192 1.00 2.22 N ATOM 426 CA TYR A 26 2.746 -24.560 -6.034 1.00 3.22 C ATOM 427 C TYR A 26 3.216 -23.129 -5.772 1.00 14.41 C ATOM 428 O TYR A 26 4.255 -22.910 -5.150 1.00 24.24 O ATOM 429 CB TYR A 26 2.984 -25.494 -4.843 1.00 63.24 C ATOM 430 CG TYR A 26 2.242 -25.107 -3.581 1.00 74.41 C ATOM 431 CD1 TYR A 26 2.900 -24.395 -2.561 1.00 72.42 C ATOM 432 CD2 TYR A 26 0.912 -25.524 -3.395 1.00 43.44 C ATOM 433 CE1 TYR A 26 2.240 -24.128 -1.350 1.00 55.12 C ATOM 434 CE2 TYR A 26 0.248 -25.248 -2.188 1.00 33.54 C ATOM 435 CZ TYR A 26 0.912 -24.552 -1.164 1.00 34.30 C ATOM 436 OH TYR A 26 0.269 -24.289 0.009 1.00 72.13 O ATOM 0 H TYR A 26 4.347 -25.497 -6.963 1.00 2.22 H new ATOM 0 HA TYR A 26 1.671 -24.508 -6.207 1.00 3.22 H new ATOM 0 HB2 TYR A 26 2.690 -26.505 -5.126 1.00 63.24 H new ATOM 0 HB3 TYR A 26 4.052 -25.521 -4.627 1.00 63.24 H new ATOM 0 HD1 TYR A 26 3.914 -24.053 -2.709 1.00 72.42 H new ATOM 0 HD2 TYR A 26 0.400 -26.058 -4.182 1.00 43.44 H new ATOM 0 HE1 TYR A 26 2.753 -23.597 -0.562 1.00 55.12 H new ATOM 0 HE2 TYR A 26 -0.773 -25.571 -2.047 1.00 33.54 H new ATOM 0 HH TYR A 26 -0.585 -23.846 -0.178 1.00 72.13 H new ATOM 446 N VAL A 27 2.442 -22.161 -6.274 1.00 61.52 N ATOM 447 CA VAL A 27 2.775 -20.745 -6.253 1.00 43.04 C ATOM 448 C VAL A 27 2.038 -20.057 -5.100 1.00 33.14 C ATOM 449 O VAL A 27 0.956 -19.509 -5.290 1.00 63.23 O ATOM 450 CB VAL A 27 2.432 -20.119 -7.617 1.00 73.23 C ATOM 451 CG1 VAL A 27 3.460 -20.536 -8.676 1.00 20.30 C ATOM 452 CG2 VAL A 27 1.034 -20.482 -8.140 1.00 24.21 C ATOM 0 H VAL A 27 1.543 -22.353 -6.717 1.00 61.52 H new ATOM 0 HA VAL A 27 3.843 -20.610 -6.084 1.00 43.04 H new ATOM 0 HB VAL A 27 2.452 -19.043 -7.446 1.00 73.23 H new ATOM 0 HG11 VAL A 27 3.200 -20.084 -9.633 1.00 20.30 H new ATOM 0 HG12 VAL A 27 4.452 -20.200 -8.373 1.00 20.30 H new ATOM 0 HG13 VAL A 27 3.460 -21.621 -8.776 1.00 20.30 H new ATOM 0 HG21 VAL A 27 0.870 -20.002 -9.105 1.00 24.21 H new ATOM 0 HG22 VAL A 27 0.958 -21.563 -8.255 1.00 24.21 H new ATOM 0 HG23 VAL A 27 0.280 -20.139 -7.431 1.00 24.21 H new ATOM 462 N SER A 28 2.610 -20.077 -3.893 1.00 21.10 N ATOM 463 CA SER A 28 1.932 -19.538 -2.722 1.00 52.31 C ATOM 464 C SER A 28 2.233 -18.049 -2.533 1.00 13.40 C ATOM 465 O SER A 28 3.391 -17.650 -2.429 1.00 22.54 O ATOM 466 CB SER A 28 2.280 -20.380 -1.489 1.00 51.41 C ATOM 467 OG SER A 28 3.670 -20.400 -1.249 1.00 51.04 O ATOM 0 H SER A 28 3.537 -20.460 -3.706 1.00 21.10 H new ATOM 0 HA SER A 28 0.854 -19.603 -2.872 1.00 52.31 H new ATOM 0 HB2 SER A 28 1.765 -19.978 -0.616 1.00 51.41 H new ATOM 0 HB3 SER A 28 1.920 -21.399 -1.630 1.00 51.41 H new ATOM 0 HG SER A 28 3.857 -20.944 -0.455 1.00 51.04 H new ATOM 473 N GLY A 29 1.173 -17.232 -2.465 1.00 13.33 N ATOM 474 CA GLY A 29 1.248 -15.856 -2.000 1.00 34.35 C ATOM 475 C GLY A 29 1.699 -14.860 -3.067 1.00 13.04 C ATOM 476 O GLY A 29 2.601 -14.067 -2.810 1.00 22.20 O ATOM 0 H GLY A 29 0.233 -17.519 -2.736 1.00 13.33 H new ATOM 0 HA2 GLY A 29 0.268 -15.555 -1.629 1.00 34.35 H new ATOM 0 HA3 GLY A 29 1.937 -15.806 -1.157 1.00 34.35 H new ATOM 480 N PHE A 30 1.044 -14.856 -4.235 1.00 22.21 N ATOM 481 CA PHE A 30 1.199 -13.809 -5.239 1.00 52.44 C ATOM 482 C PHE A 30 0.072 -12.786 -5.079 1.00 45.02 C ATOM 483 O PHE A 30 -1.101 -13.147 -5.134 1.00 2.13 O ATOM 484 CB PHE A 30 1.224 -14.414 -6.647 1.00 32.31 C ATOM 485 CG PHE A 30 0.060 -15.320 -6.982 1.00 21.13 C ATOM 486 CD1 PHE A 30 -1.145 -14.778 -7.468 1.00 32.32 C ATOM 487 CD2 PHE A 30 0.151 -16.698 -6.721 1.00 42.14 C ATOM 488 CE1 PHE A 30 -2.299 -15.575 -7.502 1.00 34.25 C ATOM 489 CE2 PHE A 30 -0.985 -17.509 -6.853 1.00 5.02 C ATOM 490 CZ PHE A 30 -2.225 -16.925 -7.140 1.00 0.00 C ATOM 0 H PHE A 30 0.387 -15.588 -4.507 1.00 22.21 H new ATOM 0 HA PHE A 30 2.151 -13.298 -5.094 1.00 52.44 H new ATOM 0 HB2 PHE A 30 1.251 -13.602 -7.373 1.00 32.31 H new ATOM 0 HB3 PHE A 30 2.149 -14.979 -6.766 1.00 32.31 H new ATOM 0 HD1 PHE A 30 -1.181 -13.755 -7.812 1.00 32.32 H new ATOM 0 HD2 PHE A 30 1.093 -17.131 -6.420 1.00 42.14 H new ATOM 0 HE1 PHE A 30 -3.243 -15.148 -7.807 1.00 34.25 H new ATOM 0 HE2 PHE A 30 -0.904 -18.579 -6.734 1.00 5.02 H new ATOM 0 HZ PHE A 30 -3.126 -17.518 -7.082 1.00 0.00 H new ATOM 500 N HIS A 31 0.424 -11.519 -4.841 1.00 72.21 N ATOM 501 CA HIS A 31 -0.549 -10.462 -4.574 1.00 31.11 C ATOM 502 C HIS A 31 -0.626 -9.510 -5.771 1.00 43.02 C ATOM 503 O HIS A 31 0.419 -9.083 -6.258 1.00 2.43 O ATOM 504 CB HIS A 31 -0.171 -9.695 -3.305 1.00 1.20 C ATOM 505 CG HIS A 31 -0.438 -10.457 -2.034 1.00 41.03 C ATOM 506 ND1 HIS A 31 -1.133 -9.900 -0.973 1.00 54.01 N ATOM 507 CD2 HIS A 31 -0.162 -11.747 -1.648 1.00 34.43 C ATOM 508 CE1 HIS A 31 -1.257 -10.852 -0.033 1.00 35.53 C ATOM 509 NE2 HIS A 31 -0.683 -12.003 -0.387 1.00 32.23 N ATOM 0 H HIS A 31 1.393 -11.200 -4.829 1.00 72.21 H new ATOM 0 HA HIS A 31 -1.528 -10.916 -4.421 1.00 31.11 H new ATOM 0 HB2 HIS A 31 0.887 -9.438 -3.348 1.00 1.20 H new ATOM 0 HB3 HIS A 31 -0.726 -8.757 -3.279 1.00 1.20 H new ATOM 0 HD2 HIS A 31 0.385 -12.463 -2.244 1.00 34.43 H new ATOM 0 HE1 HIS A 31 -1.766 -10.702 0.907 1.00 35.53 H new ATOM 0 HE2 HIS A 31 -0.637 -12.871 0.146 1.00 32.23 H new ATOM 517 N PRO A 32 -1.828 -9.132 -6.241 1.00 61.45 N ATOM 518 CA PRO A 32 -3.122 -9.424 -5.643 1.00 73.45 C ATOM 519 C PRO A 32 -3.622 -10.824 -6.018 1.00 31.34 C ATOM 520 O PRO A 32 -3.862 -11.635 -5.127 1.00 42.23 O ATOM 521 CB PRO A 32 -4.050 -8.309 -6.128 1.00 51.54 C ATOM 522 CG PRO A 32 -3.461 -7.889 -7.476 1.00 1.01 C ATOM 523 CD PRO A 32 -1.964 -8.175 -7.327 1.00 53.54 C ATOM 0 HA PRO A 32 -3.073 -9.442 -4.554 1.00 73.45 H new ATOM 0 HB2 PRO A 32 -5.075 -8.663 -6.235 1.00 51.54 H new ATOM 0 HB3 PRO A 32 -4.072 -7.475 -5.426 1.00 51.54 H new ATOM 0 HG2 PRO A 32 -3.897 -8.458 -8.297 1.00 1.01 H new ATOM 0 HG3 PRO A 32 -3.648 -6.835 -7.683 1.00 1.01 H new ATOM 0 HD2 PRO A 32 -1.553 -8.579 -8.252 1.00 53.54 H new ATOM 0 HD3 PRO A 32 -1.415 -7.259 -7.107 1.00 53.54 H new ATOM 531 N SER A 33 -3.792 -11.111 -7.317 1.00 32.32 N ATOM 532 CA SER A 33 -4.327 -12.389 -7.783 1.00 63.52 C ATOM 533 C SER A 33 -4.053 -12.707 -9.266 1.00 0.41 C ATOM 534 O SER A 33 -4.376 -13.809 -9.705 1.00 3.34 O ATOM 535 CB SER A 33 -5.837 -12.456 -7.502 1.00 3.13 C ATOM 536 OG SER A 33 -6.521 -11.433 -8.194 1.00 72.31 O ATOM 0 H SER A 33 -3.561 -10.462 -8.069 1.00 32.32 H new ATOM 0 HA SER A 33 -3.791 -13.153 -7.220 1.00 63.52 H new ATOM 0 HB2 SER A 33 -6.225 -13.429 -7.805 1.00 3.13 H new ATOM 0 HB3 SER A 33 -6.017 -12.360 -6.431 1.00 3.13 H new ATOM 0 HG SER A 33 -7.480 -11.494 -8.003 1.00 72.31 H new ATOM 542 N ASP A 34 -3.505 -11.769 -10.052 1.00 43.13 N ATOM 543 CA ASP A 34 -3.512 -11.833 -11.511 1.00 72.21 C ATOM 544 C ASP A 34 -2.305 -12.606 -12.064 1.00 14.21 C ATOM 545 O ASP A 34 -1.461 -12.026 -12.748 1.00 31.23 O ATOM 546 CB ASP A 34 -3.562 -10.398 -12.055 1.00 3.24 C ATOM 547 CG ASP A 34 -4.854 -9.676 -11.673 1.00 72.34 C ATOM 548 OD1 ASP A 34 -5.768 -9.647 -12.525 1.00 63.32 O ATOM 549 OD2 ASP A 34 -4.906 -9.161 -10.534 1.00 1.33 O ATOM 0 H ASP A 34 -3.041 -10.939 -9.684 1.00 43.13 H new ATOM 0 HA ASP A 34 -4.392 -12.385 -11.842 1.00 72.21 H new ATOM 0 HB2 ASP A 34 -2.709 -9.837 -11.673 1.00 3.24 H new ATOM 0 HB3 ASP A 34 -3.469 -10.420 -13.141 1.00 3.24 H new ATOM 554 N ILE A 35 -2.230 -13.915 -11.777 1.00 65.21 N ATOM 555 CA ILE A 35 -1.112 -14.775 -12.166 1.00 12.14 C ATOM 556 C ILE A 35 -1.452 -15.633 -13.395 1.00 42.04 C ATOM 557 O ILE A 35 -2.618 -15.954 -13.621 1.00 3.44 O ATOM 558 CB ILE A 35 -0.657 -15.624 -10.962 1.00 71.25 C ATOM 559 CG1 ILE A 35 0.751 -16.186 -11.217 1.00 2.21 C ATOM 560 CG2 ILE A 35 -1.680 -16.720 -10.618 1.00 53.11 C ATOM 561 CD1 ILE A 35 1.431 -16.695 -9.948 1.00 4.31 C ATOM 0 H ILE A 35 -2.958 -14.409 -11.260 1.00 65.21 H new ATOM 0 HA ILE A 35 -0.276 -14.143 -12.465 1.00 12.14 H new ATOM 0 HB ILE A 35 -0.603 -14.982 -10.082 1.00 71.25 H new ATOM 0 HG12 ILE A 35 0.686 -17.000 -11.939 1.00 2.21 H new ATOM 0 HG13 ILE A 35 1.370 -15.410 -11.667 1.00 2.21 H new ATOM 0 HG21 ILE A 35 -1.323 -17.296 -9.764 1.00 53.11 H new ATOM 0 HG22 ILE A 35 -2.637 -16.260 -10.370 1.00 53.11 H new ATOM 0 HG23 ILE A 35 -1.806 -17.382 -11.475 1.00 53.11 H new ATOM 0 HD11 ILE A 35 2.421 -17.079 -10.195 1.00 4.31 H new ATOM 0 HD12 ILE A 35 1.526 -15.878 -9.233 1.00 4.31 H new ATOM 0 HD13 ILE A 35 0.832 -17.493 -9.509 1.00 4.31 H new ATOM 573 N GLU A 36 -0.422 -16.012 -14.170 1.00 21.13 N ATOM 574 CA GLU A 36 -0.526 -16.832 -15.372 1.00 3.31 C ATOM 575 C GLU A 36 0.430 -18.026 -15.261 1.00 51.01 C ATOM 576 O GLU A 36 1.563 -17.971 -15.740 1.00 45.02 O ATOM 577 CB GLU A 36 -0.190 -15.985 -16.606 1.00 22.23 C ATOM 578 CG GLU A 36 -1.039 -14.714 -16.749 1.00 35.12 C ATOM 579 CD GLU A 36 -2.533 -15.006 -16.856 1.00 45.32 C ATOM 580 OE1 GLU A 36 -2.887 -15.892 -17.663 1.00 43.13 O ATOM 581 OE2 GLU A 36 -3.297 -14.331 -16.133 1.00 63.31 O ATOM 0 H GLU A 36 0.539 -15.741 -13.962 1.00 21.13 H new ATOM 0 HA GLU A 36 -1.545 -17.206 -15.474 1.00 3.31 H new ATOM 0 HB2 GLU A 36 0.862 -15.702 -16.563 1.00 22.23 H new ATOM 0 HB3 GLU A 36 -0.320 -16.597 -17.499 1.00 22.23 H new ATOM 0 HG2 GLU A 36 -0.861 -14.066 -15.891 1.00 35.12 H new ATOM 0 HG3 GLU A 36 -0.717 -14.166 -17.634 1.00 35.12 H new ATOM 588 N VAL A 37 -0.044 -19.100 -14.619 1.00 12.10 N ATOM 589 CA VAL A 37 0.699 -20.338 -14.390 1.00 63.32 C ATOM 590 C VAL A 37 0.326 -21.365 -15.462 1.00 44.02 C ATOM 591 O VAL A 37 -0.396 -22.325 -15.194 1.00 64.12 O ATOM 592 CB VAL A 37 0.410 -20.885 -12.984 1.00 15.40 C ATOM 593 CG1 VAL A 37 1.361 -22.037 -12.634 1.00 21.53 C ATOM 594 CG2 VAL A 37 0.578 -19.802 -11.919 1.00 23.34 C ATOM 0 H VAL A 37 -0.988 -19.129 -14.233 1.00 12.10 H new ATOM 0 HA VAL A 37 1.768 -20.133 -14.456 1.00 63.32 H new ATOM 0 HB VAL A 37 -0.621 -21.238 -12.995 1.00 15.40 H new ATOM 0 HG11 VAL A 37 1.134 -22.405 -11.633 1.00 21.53 H new ATOM 0 HG12 VAL A 37 1.235 -22.845 -13.355 1.00 21.53 H new ATOM 0 HG13 VAL A 37 2.391 -21.681 -12.665 1.00 21.53 H new ATOM 0 HG21 VAL A 37 0.366 -20.222 -10.936 1.00 23.34 H new ATOM 0 HG22 VAL A 37 1.601 -19.426 -11.940 1.00 23.34 H new ATOM 0 HG23 VAL A 37 -0.113 -18.984 -12.120 1.00 23.34 H new ATOM 604 N ASP A 38 0.816 -21.155 -16.685 1.00 72.31 N ATOM 605 CA ASP A 38 0.500 -21.990 -17.838 1.00 41.21 C ATOM 606 C ASP A 38 1.628 -22.997 -18.067 1.00 41.24 C ATOM 607 O ASP A 38 2.349 -22.921 -19.059 1.00 24.53 O ATOM 608 CB ASP A 38 0.174 -21.116 -19.060 1.00 24.11 C ATOM 609 CG ASP A 38 1.186 -20.004 -19.321 1.00 14.43 C ATOM 610 OD1 ASP A 38 1.027 -18.943 -18.679 1.00 2.22 O ATOM 611 OD2 ASP A 38 2.085 -20.220 -20.161 1.00 71.42 O ATOM 0 H ASP A 38 1.452 -20.388 -16.902 1.00 72.31 H new ATOM 0 HA ASP A 38 -0.400 -22.575 -17.651 1.00 41.21 H new ATOM 0 HB2 ASP A 38 0.115 -21.753 -19.943 1.00 24.11 H new ATOM 0 HB3 ASP A 38 -0.811 -20.670 -18.922 1.00 24.11 H new ATOM 616 N LEU A 39 1.775 -23.943 -17.129 1.00 31.54 N ATOM 617 CA LEU A 39 2.826 -24.954 -17.136 1.00 23.24 C ATOM 618 C LEU A 39 2.826 -25.814 -18.398 1.00 25.22 C ATOM 619 O LEU A 39 1.798 -25.981 -19.056 1.00 14.21 O ATOM 620 CB LEU A 39 2.753 -25.838 -15.885 1.00 62.44 C ATOM 621 CG LEU A 39 1.404 -26.566 -15.765 1.00 14.02 C ATOM 622 CD1 LEU A 39 1.601 -28.032 -15.372 1.00 42.03 C ATOM 623 CD2 LEU A 39 0.527 -25.909 -14.696 1.00 34.35 C ATOM 0 H LEU A 39 1.148 -24.023 -16.328 1.00 31.54 H new ATOM 0 HA LEU A 39 3.768 -24.406 -17.129 1.00 23.24 H new ATOM 0 HB2 LEU A 39 3.558 -26.572 -15.913 1.00 62.44 H new ATOM 0 HB3 LEU A 39 2.912 -25.224 -14.999 1.00 62.44 H new ATOM 0 HG LEU A 39 0.922 -26.505 -16.741 1.00 14.02 H new ATOM 0 HD11 LEU A 39 0.630 -28.522 -15.295 1.00 42.03 H new ATOM 0 HD12 LEU A 39 2.201 -28.534 -16.130 1.00 42.03 H new ATOM 0 HD13 LEU A 39 2.112 -28.085 -14.411 1.00 42.03 H new ATOM 0 HD21 LEU A 39 -0.423 -26.440 -14.628 1.00 34.35 H new ATOM 0 HD22 LEU A 39 1.036 -25.950 -13.733 1.00 34.35 H new ATOM 0 HD23 LEU A 39 0.343 -24.869 -14.965 1.00 34.35 H new ATOM 635 N LEU A 40 4.016 -26.331 -18.725 1.00 12.34 N ATOM 636 CA LEU A 40 4.331 -26.920 -20.017 1.00 13.42 C ATOM 637 C LEU A 40 4.951 -28.308 -19.843 1.00 45.52 C ATOM 638 O LEU A 40 5.509 -28.608 -18.787 1.00 74.14 O ATOM 639 CB LEU A 40 5.319 -26.004 -20.757 1.00 22.30 C ATOM 640 CG LEU A 40 4.909 -24.520 -20.785 1.00 20.54 C ATOM 641 CD1 LEU A 40 6.022 -23.696 -21.439 1.00 11.01 C ATOM 642 CD2 LEU A 40 3.596 -24.309 -21.546 1.00 21.25 C ATOM 0 H LEU A 40 4.803 -26.348 -18.076 1.00 12.34 H new ATOM 0 HA LEU A 40 3.411 -27.024 -20.593 1.00 13.42 H new ATOM 0 HB2 LEU A 40 6.298 -26.089 -20.286 1.00 22.30 H new ATOM 0 HB3 LEU A 40 5.427 -26.358 -21.782 1.00 22.30 H new ATOM 0 HG LEU A 40 4.754 -24.193 -19.757 1.00 20.54 H new ATOM 0 HD11 LEU A 40 5.733 -22.645 -21.459 1.00 11.01 H new ATOM 0 HD12 LEU A 40 6.942 -23.808 -20.866 1.00 11.01 H new ATOM 0 HD13 LEU A 40 6.184 -24.047 -22.458 1.00 11.01 H new ATOM 0 HD21 LEU A 40 3.340 -23.249 -21.544 1.00 21.25 H new ATOM 0 HD22 LEU A 40 3.712 -24.652 -22.574 1.00 21.25 H new ATOM 0 HD23 LEU A 40 2.800 -24.875 -21.062 1.00 21.25 H new ATOM 654 N LYS A 41 4.885 -29.128 -20.903 1.00 3.30 N ATOM 655 CA LYS A 41 5.654 -30.359 -21.025 1.00 42.45 C ATOM 656 C LYS A 41 6.609 -30.220 -22.203 1.00 62.31 C ATOM 657 O LYS A 41 6.209 -30.351 -23.357 1.00 42.24 O ATOM 658 CB LYS A 41 4.767 -31.612 -21.105 1.00 22.12 C ATOM 659 CG LYS A 41 3.721 -31.644 -22.224 1.00 31.23 C ATOM 660 CD LYS A 41 2.723 -32.797 -22.040 1.00 32.13 C ATOM 661 CE LYS A 41 3.354 -34.195 -22.129 1.00 53.51 C ATOM 662 NZ LYS A 41 3.967 -34.454 -23.444 1.00 1.23 N ATOM 0 H LYS A 41 4.285 -28.945 -21.707 1.00 3.30 H new ATOM 0 HA LYS A 41 6.239 -30.507 -20.117 1.00 42.45 H new ATOM 0 HB2 LYS A 41 5.415 -32.481 -21.220 1.00 22.12 H new ATOM 0 HB3 LYS A 41 4.250 -31.724 -20.152 1.00 22.12 H new ATOM 0 HG2 LYS A 41 3.182 -30.697 -22.245 1.00 31.23 H new ATOM 0 HG3 LYS A 41 4.222 -31.747 -23.187 1.00 31.23 H new ATOM 0 HD2 LYS A 41 2.237 -32.691 -21.070 1.00 32.13 H new ATOM 0 HD3 LYS A 41 1.944 -32.713 -22.798 1.00 32.13 H new ATOM 0 HE2 LYS A 41 4.111 -34.299 -21.352 1.00 53.51 H new ATOM 0 HE3 LYS A 41 2.591 -34.948 -21.933 1.00 53.51 H new ATOM 0 HZ1 LYS A 41 3.543 -35.307 -23.863 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 3.800 -33.641 -24.071 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 4.990 -34.597 -23.328 1.00 1.23 H new ATOM 676 N ASN A 42 7.878 -29.931 -21.896 1.00 23.10 N ATOM 677 CA ASN A 42 8.949 -29.773 -22.869 1.00 23.45 C ATOM 678 C ASN A 42 8.602 -28.681 -23.892 1.00 74.12 C ATOM 679 O ASN A 42 8.931 -28.810 -25.070 1.00 23.13 O ATOM 680 CB ASN A 42 9.266 -31.127 -23.533 1.00 54.12 C ATOM 681 CG ASN A 42 9.533 -32.255 -22.530 1.00 23.11 C ATOM 682 OD1 ASN A 42 9.717 -32.022 -21.337 1.00 12.35 O ATOM 683 ND2 ASN A 42 9.546 -33.496 -23.020 1.00 53.14 N ATOM 0 H ASN A 42 8.191 -29.798 -20.934 1.00 23.10 H new ATOM 0 HA ASN A 42 9.853 -29.443 -22.357 1.00 23.45 H new ATOM 0 HB2 ASN A 42 8.432 -31.412 -24.174 1.00 54.12 H new ATOM 0 HB3 ASN A 42 10.138 -31.011 -24.177 1.00 54.12 H new ATOM 0 HD21 ASN A 42 9.712 -34.288 -22.399 1.00 53.14 H new ATOM 0 HD22 ASN A 42 9.390 -33.653 -24.016 1.00 53.14 H new ATOM 690 N GLY A 43 7.925 -27.614 -23.438 1.00 13.03 N ATOM 691 CA GLY A 43 7.501 -26.496 -24.269 1.00 42.53 C ATOM 692 C GLY A 43 6.027 -26.579 -24.688 1.00 31.21 C ATOM 693 O GLY A 43 5.433 -25.540 -24.971 1.00 11.01 O ATOM 0 H GLY A 43 7.655 -27.511 -22.460 1.00 13.03 H new ATOM 0 HA2 GLY A 43 7.666 -25.565 -23.726 1.00 42.53 H new ATOM 0 HA3 GLY A 43 8.124 -26.459 -25.162 1.00 42.53 H new ATOM 697 N GLU A 44 5.431 -27.781 -24.746 1.00 53.24 N ATOM 698 CA GLU A 44 4.063 -27.961 -25.226 1.00 43.15 C ATOM 699 C GLU A 44 3.068 -27.373 -24.226 1.00 4.24 C ATOM 700 O GLU A 44 3.194 -27.620 -23.028 1.00 71.22 O ATOM 701 CB GLU A 44 3.747 -29.448 -25.408 1.00 60.14 C ATOM 702 CG GLU A 44 4.692 -30.166 -26.375 1.00 34.40 C ATOM 703 CD GLU A 44 4.301 -31.636 -26.497 1.00 73.44 C ATOM 704 OE1 GLU A 44 3.501 -31.939 -27.409 1.00 74.25 O ATOM 705 OE2 GLU A 44 4.791 -32.430 -25.665 1.00 41.55 O ATOM 0 H GLU A 44 5.887 -28.648 -24.461 1.00 53.24 H new ATOM 0 HA GLU A 44 3.975 -27.448 -26.184 1.00 43.15 H new ATOM 0 HB2 GLU A 44 3.792 -29.941 -24.437 1.00 60.14 H new ATOM 0 HB3 GLU A 44 2.724 -29.551 -25.770 1.00 60.14 H new ATOM 0 HG2 GLU A 44 4.654 -29.689 -27.354 1.00 34.40 H new ATOM 0 HG3 GLU A 44 5.719 -30.083 -26.020 1.00 34.40 H new ATOM 712 N ARG A 45 2.070 -26.628 -24.720 1.00 31.32 N ATOM 713 CA ARG A 45 1.020 -26.064 -23.883 1.00 31.33 C ATOM 714 C ARG A 45 0.036 -27.172 -23.501 1.00 72.11 C ATOM 715 O ARG A 45 -0.681 -27.692 -24.356 1.00 22.12 O ATOM 716 CB ARG A 45 0.319 -24.892 -24.596 1.00 40.51 C ATOM 717 CG ARG A 45 0.257 -23.630 -23.722 1.00 3.53 C ATOM 718 CD ARG A 45 -0.493 -23.811 -22.396 1.00 3.42 C ATOM 719 NE ARG A 45 -1.906 -24.144 -22.596 1.00 1.03 N ATOM 720 CZ ARG A 45 -2.813 -24.203 -21.607 1.00 13.10 C ATOM 721 NH1 ARG A 45 -2.459 -24.029 -20.324 1.00 12.31 N ATOM 722 NH2 ARG A 45 -4.095 -24.437 -21.910 1.00 52.14 N ATOM 0 H ARG A 45 1.974 -26.404 -25.710 1.00 31.32 H new ATOM 0 HA ARG A 45 1.457 -25.658 -22.971 1.00 31.33 H new ATOM 0 HB2 ARG A 45 0.848 -24.664 -25.522 1.00 40.51 H new ATOM 0 HB3 ARG A 45 -0.693 -25.190 -24.872 1.00 40.51 H new ATOM 0 HG2 ARG A 45 1.274 -23.301 -23.508 1.00 3.53 H new ATOM 0 HG3 ARG A 45 -0.222 -22.833 -24.290 1.00 3.53 H new ATOM 0 HD2 ARG A 45 -0.015 -24.600 -21.816 1.00 3.42 H new ATOM 0 HD3 ARG A 45 -0.418 -22.895 -21.811 1.00 3.42 H new ATOM 0 HE ARG A 45 -2.220 -24.343 -23.546 1.00 1.03 H new ATOM 0 HH11 ARG A 45 -1.484 -23.848 -20.084 1.00 12.31 H new ATOM 0 HH12 ARG A 45 -3.165 -24.078 -19.589 1.00 12.31 H new ATOM 0 HH21 ARG A 45 -4.373 -24.568 -22.882 1.00 52.14 H new ATOM 0 HH22 ARG A 45 -4.794 -24.484 -21.169 1.00 52.14 H new ATOM 736 N ILE A 46 0.024 -27.541 -22.216 1.00 1.50 N ATOM 737 CA ILE A 46 -0.827 -28.590 -21.678 1.00 14.31 C ATOM 738 C ILE A 46 -2.253 -28.048 -21.579 1.00 43.51 C ATOM 739 O ILE A 46 -2.522 -27.188 -20.744 1.00 22.25 O ATOM 740 CB ILE A 46 -0.292 -29.042 -20.304 1.00 54.32 C ATOM 741 CG1 ILE A 46 1.171 -29.503 -20.422 1.00 31.15 C ATOM 742 CG2 ILE A 46 -1.151 -30.181 -19.732 1.00 1.24 C ATOM 743 CD1 ILE A 46 1.749 -30.009 -19.099 1.00 74.25 C ATOM 0 H ILE A 46 0.620 -27.106 -21.512 1.00 1.50 H new ATOM 0 HA ILE A 46 -0.826 -29.463 -22.331 1.00 14.31 H new ATOM 0 HB ILE A 46 -0.343 -28.190 -19.626 1.00 54.32 H new ATOM 0 HG12 ILE A 46 1.237 -30.296 -21.167 1.00 31.15 H new ATOM 0 HG13 ILE A 46 1.779 -28.674 -20.784 1.00 31.15 H new ATOM 0 HG21 ILE A 46 -0.755 -30.484 -18.763 1.00 1.24 H new ATOM 0 HG22 ILE A 46 -2.179 -29.837 -19.613 1.00 1.24 H new ATOM 0 HG23 ILE A 46 -1.129 -31.031 -20.414 1.00 1.24 H new ATOM 0 HD11 ILE A 46 2.783 -30.319 -19.249 1.00 74.25 H new ATOM 0 HD12 ILE A 46 1.713 -29.211 -18.357 1.00 74.25 H new ATOM 0 HD13 ILE A 46 1.163 -30.858 -18.747 1.00 74.25 H new ATOM 755 N GLU A 47 -3.169 -28.563 -22.411 1.00 73.13 N ATOM 756 CA GLU A 47 -4.579 -28.187 -22.385 1.00 34.53 C ATOM 757 C GLU A 47 -5.338 -29.057 -21.369 1.00 35.30 C ATOM 758 O GLU A 47 -6.371 -29.642 -21.691 1.00 34.53 O ATOM 759 CB GLU A 47 -5.151 -28.275 -23.812 1.00 12.34 C ATOM 760 CG GLU A 47 -6.434 -27.450 -24.000 1.00 12.04 C ATOM 761 CD GLU A 47 -6.171 -25.948 -23.902 1.00 62.14 C ATOM 762 OE1 GLU A 47 -5.324 -25.459 -24.682 1.00 53.03 O ATOM 763 OE2 GLU A 47 -6.811 -25.310 -23.038 1.00 34.20 O ATOM 0 H GLU A 47 -2.945 -29.257 -23.124 1.00 73.13 H new ATOM 0 HA GLU A 47 -4.697 -27.156 -22.052 1.00 34.53 H new ATOM 0 HB2 GLU A 47 -4.398 -27.931 -24.521 1.00 12.34 H new ATOM 0 HB3 GLU A 47 -5.359 -29.318 -24.050 1.00 12.34 H new ATOM 0 HG2 GLU A 47 -6.872 -27.678 -24.972 1.00 12.04 H new ATOM 0 HG3 GLU A 47 -7.165 -27.740 -23.245 1.00 12.04 H new ATOM 770 N LYS A 48 -4.814 -29.124 -20.135 1.00 12.40 N ATOM 771 CA LYS A 48 -5.401 -29.818 -18.993 1.00 32.42 C ATOM 772 C LYS A 48 -4.610 -29.435 -17.736 1.00 11.53 C ATOM 773 O LYS A 48 -3.935 -30.266 -17.132 1.00 74.41 O ATOM 774 CB LYS A 48 -5.445 -31.343 -19.218 1.00 43.52 C ATOM 775 CG LYS A 48 -6.241 -32.045 -18.108 1.00 20.23 C ATOM 776 CD LYS A 48 -6.358 -33.546 -18.368 1.00 21.41 C ATOM 777 CE LYS A 48 -7.080 -34.205 -17.190 1.00 52.34 C ATOM 778 NZ LYS A 48 -7.232 -35.654 -17.398 1.00 74.21 N ATOM 0 H LYS A 48 -3.929 -28.673 -19.902 1.00 12.40 H new ATOM 0 HA LYS A 48 -6.439 -29.510 -18.866 1.00 32.42 H new ATOM 0 HB2 LYS A 48 -5.898 -31.558 -20.186 1.00 43.52 H new ATOM 0 HB3 LYS A 48 -4.430 -31.739 -19.247 1.00 43.52 H new ATOM 0 HG2 LYS A 48 -5.754 -31.878 -17.148 1.00 20.23 H new ATOM 0 HG3 LYS A 48 -7.237 -31.607 -18.040 1.00 20.23 H new ATOM 0 HD2 LYS A 48 -6.906 -33.726 -19.293 1.00 21.41 H new ATOM 0 HD3 LYS A 48 -5.368 -33.984 -18.494 1.00 21.41 H new ATOM 0 HE2 LYS A 48 -6.522 -34.024 -16.271 1.00 52.34 H new ATOM 0 HE3 LYS A 48 -8.062 -33.749 -17.061 1.00 52.34 H new ATOM 0 HZ1 LYS A 48 -7.725 -36.072 -16.583 1.00 74.21 H new ATOM 0 HZ2 LYS A 48 -7.785 -35.825 -18.262 1.00 74.21 H new ATOM 0 HZ3 LYS A 48 -6.293 -36.091 -17.496 1.00 74.21 H new ATOM 792 N VAL A 49 -4.689 -28.156 -17.355 1.00 62.55 N ATOM 793 CA VAL A 49 -4.108 -27.632 -16.127 1.00 13.03 C ATOM 794 C VAL A 49 -5.193 -27.598 -15.051 1.00 25.52 C ATOM 795 O VAL A 49 -6.257 -27.016 -15.258 1.00 52.44 O ATOM 796 CB VAL A 49 -3.528 -26.235 -16.392 1.00 34.33 C ATOM 797 CG1 VAL A 49 -3.201 -25.493 -15.093 1.00 64.32 C ATOM 798 CG2 VAL A 49 -2.256 -26.346 -17.241 1.00 11.24 C ATOM 0 H VAL A 49 -5.170 -27.446 -17.907 1.00 62.55 H new ATOM 0 HA VAL A 49 -3.294 -28.269 -15.780 1.00 13.03 H new ATOM 0 HB VAL A 49 -4.289 -25.666 -16.926 1.00 34.33 H new ATOM 0 HG11 VAL A 49 -2.793 -24.510 -15.328 1.00 64.32 H new ATOM 0 HG12 VAL A 49 -4.109 -25.377 -14.502 1.00 64.32 H new ATOM 0 HG13 VAL A 49 -2.467 -26.063 -14.523 1.00 64.32 H new ATOM 0 HG21 VAL A 49 -1.852 -25.350 -17.423 1.00 11.24 H new ATOM 0 HG22 VAL A 49 -1.516 -26.946 -16.711 1.00 11.24 H new ATOM 0 HG23 VAL A 49 -2.494 -26.821 -18.193 1.00 11.24 H new ATOM 808 N GLU A 50 -4.895 -28.202 -13.896 1.00 42.23 N ATOM 809 CA GLU A 50 -5.754 -28.200 -12.716 1.00 74.22 C ATOM 810 C GLU A 50 -5.283 -27.105 -11.753 1.00 20.12 C ATOM 811 O GLU A 50 -4.380 -26.336 -12.077 1.00 3.33 O ATOM 812 CB GLU A 50 -5.782 -29.595 -12.068 1.00 41.52 C ATOM 813 CG GLU A 50 -6.629 -30.606 -12.854 1.00 54.31 C ATOM 814 CD GLU A 50 -6.033 -30.957 -14.214 1.00 43.24 C ATOM 815 OE1 GLU A 50 -5.032 -31.706 -14.222 1.00 71.41 O ATOM 816 OE2 GLU A 50 -6.595 -30.471 -15.219 1.00 40.43 O ATOM 0 H GLU A 50 -4.026 -28.718 -13.756 1.00 42.23 H new ATOM 0 HA GLU A 50 -6.782 -27.973 -12.998 1.00 74.22 H new ATOM 0 HB2 GLU A 50 -4.762 -29.971 -11.985 1.00 41.52 H new ATOM 0 HB3 GLU A 50 -6.175 -29.511 -11.055 1.00 41.52 H new ATOM 0 HG2 GLU A 50 -6.736 -31.517 -12.265 1.00 54.31 H new ATOM 0 HG3 GLU A 50 -7.630 -30.199 -12.997 1.00 54.31 H new ATOM 823 N HIS A 51 -5.945 -26.990 -10.596 1.00 4.11 N ATOM 824 CA HIS A 51 -5.834 -25.849 -9.695 1.00 25.12 C ATOM 825 C HIS A 51 -6.558 -26.179 -8.387 1.00 3.34 C ATOM 826 O HIS A 51 -7.468 -27.007 -8.385 1.00 11.30 O ATOM 827 CB HIS A 51 -6.448 -24.610 -10.368 1.00 3.22 C ATOM 828 CG HIS A 51 -7.785 -24.875 -11.014 1.00 71.21 C ATOM 829 ND1 HIS A 51 -7.902 -25.274 -12.338 1.00 23.24 N ATOM 830 CD2 HIS A 51 -9.071 -24.853 -10.528 1.00 12.03 C ATOM 831 CE1 HIS A 51 -9.206 -25.494 -12.575 1.00 62.15 C ATOM 832 NE2 HIS A 51 -9.973 -25.248 -11.511 1.00 4.34 N ATOM 0 H HIS A 51 -6.586 -27.707 -10.257 1.00 4.11 H new ATOM 0 HA HIS A 51 -4.788 -25.637 -9.473 1.00 25.12 H new ATOM 0 HB2 HIS A 51 -6.563 -23.822 -9.624 1.00 3.22 H new ATOM 0 HB3 HIS A 51 -5.756 -24.237 -11.123 1.00 3.22 H new ATOM 0 HD2 HIS A 51 -9.343 -24.568 -9.522 1.00 12.03 H new ATOM 0 HE1 HIS A 51 -9.592 -25.834 -13.525 1.00 62.15 H new ATOM 0 HE2 HIS A 51 -10.987 -25.331 -11.436 1.00 4.34 H new ATOM 840 N SER A 52 -6.164 -25.528 -7.280 1.00 34.24 N ATOM 841 CA SER A 52 -6.795 -25.709 -5.971 1.00 65.41 C ATOM 842 C SER A 52 -7.837 -24.614 -5.694 1.00 21.34 C ATOM 843 O SER A 52 -8.087 -24.280 -4.537 1.00 24.43 O ATOM 844 CB SER A 52 -5.713 -25.767 -4.883 1.00 71.22 C ATOM 845 OG SER A 52 -6.228 -26.284 -3.675 1.00 31.31 O ATOM 0 H SER A 52 -5.394 -24.859 -7.273 1.00 34.24 H new ATOM 0 HA SER A 52 -7.337 -26.655 -5.965 1.00 65.41 H new ATOM 0 HB2 SER A 52 -4.885 -26.389 -5.223 1.00 71.22 H new ATOM 0 HB3 SER A 52 -5.312 -24.768 -4.712 1.00 71.22 H new ATOM 0 HG SER A 52 -7.059 -25.817 -3.447 1.00 31.31 H new ATOM 851 N ASP A 53 -8.456 -24.075 -6.755 1.00 33.24 N ATOM 852 CA ASP A 53 -9.559 -23.122 -6.706 1.00 63.24 C ATOM 853 C ASP A 53 -9.268 -21.916 -5.800 1.00 31.15 C ATOM 854 O ASP A 53 -10.098 -21.547 -4.973 1.00 31.14 O ATOM 855 CB ASP A 53 -10.854 -23.864 -6.333 1.00 31.13 C ATOM 856 CG ASP A 53 -12.104 -23.008 -6.537 1.00 4.02 C ATOM 857 OD1 ASP A 53 -12.299 -22.546 -7.683 1.00 14.44 O ATOM 858 OD2 ASP A 53 -12.846 -22.834 -5.546 1.00 64.54 O ATOM 0 H ASP A 53 -8.184 -24.306 -7.710 1.00 33.24 H new ATOM 0 HA ASP A 53 -9.688 -22.687 -7.697 1.00 63.24 H new ATOM 0 HB2 ASP A 53 -10.936 -24.769 -6.935 1.00 31.13 H new ATOM 0 HB3 ASP A 53 -10.800 -24.179 -5.291 1.00 31.13 H new ATOM 863 N LEU A 54 -8.090 -21.302 -5.982 1.00 0.14 N ATOM 864 CA LEU A 54 -7.660 -20.069 -5.327 1.00 32.42 C ATOM 865 C LEU A 54 -7.896 -20.111 -3.812 1.00 64.23 C ATOM 866 O LEU A 54 -8.886 -19.582 -3.309 1.00 73.53 O ATOM 867 CB LEU A 54 -8.335 -18.868 -6.004 1.00 21.53 C ATOM 868 CG LEU A 54 -7.785 -17.520 -5.509 1.00 21.20 C ATOM 869 CD1 LEU A 54 -6.346 -17.277 -5.974 1.00 51.02 C ATOM 870 CD2 LEU A 54 -8.671 -16.392 -6.049 1.00 14.42 C ATOM 0 H LEU A 54 -7.384 -21.671 -6.619 1.00 0.14 H new ATOM 0 HA LEU A 54 -6.582 -19.961 -5.446 1.00 32.42 H new ATOM 0 HB2 LEU A 54 -8.195 -18.939 -7.083 1.00 21.53 H new ATOM 0 HB3 LEU A 54 -9.408 -18.908 -5.818 1.00 21.53 H new ATOM 0 HG LEU A 54 -7.789 -17.540 -4.419 1.00 21.20 H new ATOM 0 HD11 LEU A 54 -6.001 -16.313 -5.600 1.00 51.02 H new ATOM 0 HD12 LEU A 54 -5.701 -18.067 -5.590 1.00 51.02 H new ATOM 0 HD13 LEU A 54 -6.311 -17.277 -7.063 1.00 51.02 H new ATOM 0 HD21 LEU A 54 -8.289 -15.432 -5.703 1.00 14.42 H new ATOM 0 HD22 LEU A 54 -8.664 -16.414 -7.139 1.00 14.42 H new ATOM 0 HD23 LEU A 54 -9.691 -16.527 -5.690 1.00 14.42 H new ATOM 882 N SER A 55 -6.974 -20.751 -3.088 1.00 13.44 N ATOM 883 CA SER A 55 -7.114 -20.999 -1.661 1.00 14.40 C ATOM 884 C SER A 55 -6.673 -19.764 -0.877 1.00 51.51 C ATOM 885 O SER A 55 -5.534 -19.318 -1.014 1.00 51.25 O ATOM 886 CB SER A 55 -6.298 -22.227 -1.253 1.00 3.34 C ATOM 887 OG SER A 55 -6.591 -23.329 -2.087 1.00 45.03 O ATOM 0 H SER A 55 -6.106 -21.112 -3.483 1.00 13.44 H new ATOM 0 HA SER A 55 -8.161 -21.200 -1.432 1.00 14.40 H new ATOM 0 HB2 SER A 55 -5.234 -21.996 -1.309 1.00 3.34 H new ATOM 0 HB3 SER A 55 -6.514 -22.484 -0.216 1.00 3.34 H new ATOM 0 HG SER A 55 -6.056 -24.102 -1.808 1.00 45.03 H new ATOM 893 N PHE A 56 -7.584 -19.216 -0.065 1.00 13.03 N ATOM 894 CA PHE A 56 -7.375 -17.994 0.695 1.00 63.35 C ATOM 895 C PHE A 56 -6.840 -18.331 2.087 1.00 14.44 C ATOM 896 O PHE A 56 -7.600 -18.743 2.963 1.00 64.43 O ATOM 897 CB PHE A 56 -8.694 -17.216 0.787 1.00 43.53 C ATOM 898 CG PHE A 56 -9.330 -16.905 -0.555 1.00 20.31 C ATOM 899 CD1 PHE A 56 -8.810 -15.875 -1.362 1.00 44.43 C ATOM 900 CD2 PHE A 56 -10.446 -17.641 -0.995 1.00 31.44 C ATOM 901 CE1 PHE A 56 -9.430 -15.558 -2.583 1.00 2.13 C ATOM 902 CE2 PHE A 56 -11.062 -17.326 -2.217 1.00 13.15 C ATOM 903 CZ PHE A 56 -10.565 -16.273 -3.003 1.00 22.22 C ATOM 0 H PHE A 56 -8.507 -19.625 0.080 1.00 13.03 H new ATOM 0 HA PHE A 56 -6.638 -17.370 0.190 1.00 63.35 H new ATOM 0 HB2 PHE A 56 -9.400 -17.791 1.386 1.00 43.53 H new ATOM 0 HB3 PHE A 56 -8.514 -16.280 1.316 1.00 43.53 H new ATOM 0 HD1 PHE A 56 -7.935 -15.329 -1.043 1.00 44.43 H new ATOM 0 HD2 PHE A 56 -10.830 -18.450 -0.391 1.00 31.44 H new ATOM 0 HE1 PHE A 56 -9.034 -14.764 -3.199 1.00 2.13 H new ATOM 0 HE2 PHE A 56 -11.918 -17.893 -2.553 1.00 13.15 H new ATOM 0 HZ PHE A 56 -11.055 -16.013 -3.930 1.00 22.22 H new ATOM 913 N SER A 57 -5.533 -18.137 2.298 1.00 41.52 N ATOM 914 CA SER A 57 -4.906 -18.293 3.605 1.00 52.11 C ATOM 915 C SER A 57 -5.419 -17.227 4.576 1.00 74.31 C ATOM 916 O SER A 57 -5.709 -16.102 4.170 1.00 63.12 O ATOM 917 CB SER A 57 -3.385 -18.194 3.460 1.00 71.23 C ATOM 918 OG SER A 57 -2.741 -18.497 4.678 1.00 4.01 O ATOM 0 H SER A 57 -4.882 -17.866 1.561 1.00 41.52 H new ATOM 0 HA SER A 57 -5.163 -19.273 4.008 1.00 52.11 H new ATOM 0 HB2 SER A 57 -3.045 -18.880 2.684 1.00 71.23 H new ATOM 0 HB3 SER A 57 -3.111 -17.189 3.140 1.00 71.23 H new ATOM 0 HG SER A 57 -1.770 -18.429 4.561 1.00 4.01 H new ATOM 924 N LYS A 58 -5.505 -17.587 5.864 1.00 33.14 N ATOM 925 CA LYS A 58 -5.897 -16.688 6.945 1.00 11.20 C ATOM 926 C LYS A 58 -4.949 -15.487 7.053 1.00 63.34 C ATOM 927 O LYS A 58 -5.387 -14.386 7.380 1.00 35.20 O ATOM 928 CB LYS A 58 -6.019 -17.475 8.262 1.00 31.55 C ATOM 929 CG LYS A 58 -4.698 -18.053 8.797 1.00 13.40 C ATOM 930 CD LYS A 58 -4.019 -17.117 9.809 1.00 32.33 C ATOM 931 CE LYS A 58 -2.609 -17.600 10.165 1.00 35.12 C ATOM 932 NZ LYS A 58 -2.627 -18.888 10.879 1.00 52.33 N ATOM 0 H LYS A 58 -5.298 -18.533 6.185 1.00 33.14 H new ATOM 0 HA LYS A 58 -6.878 -16.270 6.720 1.00 11.20 H new ATOM 0 HB2 LYS A 58 -6.446 -16.820 9.021 1.00 31.55 H new ATOM 0 HB3 LYS A 58 -6.724 -18.294 8.115 1.00 31.55 H new ATOM 0 HG2 LYS A 58 -4.890 -19.016 9.269 1.00 13.40 H new ATOM 0 HG3 LYS A 58 -4.020 -18.236 7.963 1.00 13.40 H new ATOM 0 HD2 LYS A 58 -3.966 -16.110 9.395 1.00 32.33 H new ATOM 0 HD3 LYS A 58 -4.624 -17.058 10.714 1.00 32.33 H new ATOM 0 HE2 LYS A 58 -2.020 -17.700 9.253 1.00 35.12 H new ATOM 0 HE3 LYS A 58 -2.115 -16.850 10.783 1.00 35.12 H new ATOM 0 HZ1 LYS A 58 -1.652 -19.176 11.100 1.00 52.33 H new ATOM 0 HZ2 LYS A 58 -3.167 -18.788 11.762 1.00 52.33 H new ATOM 0 HZ3 LYS A 58 -3.074 -19.611 10.280 1.00 52.33 H new ATOM 946 N ASP A 59 -3.659 -15.702 6.758 1.00 11.34 N ATOM 947 CA ASP A 59 -2.644 -14.662 6.679 1.00 15.34 C ATOM 948 C ASP A 59 -2.980 -13.666 5.568 1.00 20.20 C ATOM 949 O ASP A 59 -2.901 -12.457 5.780 1.00 2.53 O ATOM 950 CB ASP A 59 -1.284 -15.322 6.414 1.00 42.52 C ATOM 951 CG ASP A 59 -0.180 -14.293 6.175 1.00 31.51 C ATOM 952 OD1 ASP A 59 0.380 -13.817 7.185 1.00 52.53 O ATOM 953 OD2 ASP A 59 0.083 -14.001 4.987 1.00 31.40 O ATOM 0 H ASP A 59 -3.291 -16.633 6.564 1.00 11.34 H new ATOM 0 HA ASP A 59 -2.610 -14.113 7.620 1.00 15.34 H new ATOM 0 HB2 ASP A 59 -1.015 -15.950 7.263 1.00 42.52 H new ATOM 0 HB3 ASP A 59 -1.363 -15.976 5.546 1.00 42.52 H new ATOM 958 N GLY A 60 -3.313 -14.190 4.383 1.00 2.23 N ATOM 959 CA GLY A 60 -3.421 -13.436 3.149 1.00 20.52 C ATOM 960 C GLY A 60 -2.375 -13.989 2.190 1.00 63.13 C ATOM 961 O GLY A 60 -1.310 -13.397 2.045 1.00 13.53 O ATOM 0 H GLY A 60 -3.519 -15.182 4.263 1.00 2.23 H new ATOM 0 HA2 GLY A 60 -4.421 -13.533 2.725 1.00 20.52 H new ATOM 0 HA3 GLY A 60 -3.253 -12.374 3.331 1.00 20.52 H new ATOM 965 N SER A 61 -2.674 -15.136 1.568 1.00 34.30 N ATOM 966 CA SER A 61 -1.826 -15.802 0.589 1.00 33.42 C ATOM 967 C SER A 61 -2.707 -16.632 -0.344 1.00 0.20 C ATOM 968 O SER A 61 -3.649 -17.284 0.104 1.00 60.31 O ATOM 969 CB SER A 61 -0.780 -16.705 1.260 1.00 73.13 C ATOM 970 OG SER A 61 -0.005 -15.997 2.201 1.00 1.44 O ATOM 0 H SER A 61 -3.544 -15.638 1.743 1.00 34.30 H new ATOM 0 HA SER A 61 -1.286 -15.041 0.026 1.00 33.42 H new ATOM 0 HB2 SER A 61 -1.281 -17.537 1.754 1.00 73.13 H new ATOM 0 HB3 SER A 61 -0.127 -17.133 0.499 1.00 73.13 H new ATOM 0 HG SER A 61 0.648 -16.603 2.609 1.00 1.44 H new ATOM 976 N PHE A 62 -2.397 -16.578 -1.642 1.00 13.12 N ATOM 977 CA PHE A 62 -3.193 -17.130 -2.724 1.00 20.44 C ATOM 978 C PHE A 62 -2.514 -18.398 -3.243 1.00 53.12 C ATOM 979 O PHE A 62 -1.736 -18.326 -4.189 1.00 33.12 O ATOM 980 CB PHE A 62 -3.298 -16.043 -3.803 1.00 13.14 C ATOM 981 CG PHE A 62 -3.947 -14.771 -3.288 1.00 43.13 C ATOM 982 CD1 PHE A 62 -5.347 -14.696 -3.175 1.00 12.51 C ATOM 983 CD2 PHE A 62 -3.150 -13.737 -2.760 1.00 1.12 C ATOM 984 CE1 PHE A 62 -5.948 -13.569 -2.590 1.00 0.44 C ATOM 985 CE2 PHE A 62 -3.754 -12.604 -2.189 1.00 53.43 C ATOM 986 CZ PHE A 62 -5.152 -12.522 -2.098 1.00 62.24 C ATOM 0 H PHE A 62 -1.545 -16.127 -1.975 1.00 13.12 H new ATOM 0 HA PHE A 62 -4.196 -17.411 -2.401 1.00 20.44 H new ATOM 0 HB2 PHE A 62 -2.301 -15.812 -4.179 1.00 13.14 H new ATOM 0 HB3 PHE A 62 -3.875 -16.426 -4.645 1.00 13.14 H new ATOM 0 HD1 PHE A 62 -5.961 -15.506 -3.539 1.00 12.51 H new ATOM 0 HD2 PHE A 62 -2.073 -13.815 -2.794 1.00 1.12 H new ATOM 0 HE1 PHE A 62 -7.024 -13.508 -2.519 1.00 0.44 H new ATOM 0 HE2 PHE A 62 -3.141 -11.795 -1.820 1.00 53.43 H new ATOM 0 HZ PHE A 62 -5.615 -11.655 -1.650 1.00 62.24 H new ATOM 996 N TYR A 63 -2.760 -19.544 -2.594 1.00 51.12 N ATOM 997 CA TYR A 63 -1.969 -20.752 -2.812 1.00 74.54 C ATOM 998 C TYR A 63 -2.710 -21.815 -3.623 1.00 5.22 C ATOM 999 O TYR A 63 -3.584 -22.507 -3.109 1.00 33.12 O ATOM 1000 CB TYR A 63 -1.430 -21.271 -1.474 1.00 40.41 C ATOM 1001 CG TYR A 63 -2.444 -21.790 -0.470 1.00 1.02 C ATOM 1002 CD1 TYR A 63 -3.082 -20.905 0.420 1.00 52.23 C ATOM 1003 CD2 TYR A 63 -2.686 -23.174 -0.367 1.00 40.43 C ATOM 1004 CE1 TYR A 63 -3.971 -21.400 1.388 1.00 43.22 C ATOM 1005 CE2 TYR A 63 -3.551 -23.670 0.623 1.00 22.21 C ATOM 1006 CZ TYR A 63 -4.195 -22.784 1.500 1.00 60.54 C ATOM 1007 OH TYR A 63 -5.038 -23.264 2.459 1.00 14.03 O ATOM 0 H TYR A 63 -3.508 -19.655 -1.909 1.00 51.12 H new ATOM 0 HA TYR A 63 -1.114 -20.490 -3.435 1.00 74.54 H new ATOM 0 HB2 TYR A 63 -0.722 -22.073 -1.684 1.00 40.41 H new ATOM 0 HB3 TYR A 63 -0.869 -20.465 -1.001 1.00 40.41 H new ATOM 0 HD1 TYR A 63 -2.888 -19.844 0.358 1.00 52.23 H new ATOM 0 HD2 TYR A 63 -2.205 -23.857 -1.052 1.00 40.43 H new ATOM 0 HE1 TYR A 63 -4.484 -20.716 2.048 1.00 43.22 H new ATOM 0 HE2 TYR A 63 -3.720 -24.733 0.709 1.00 22.21 H new ATOM 0 HH TYR A 63 -5.081 -24.241 2.398 1.00 14.03 H new ATOM 1017 N LEU A 64 -2.335 -21.959 -4.899 1.00 25.51 N ATOM 1018 CA LEU A 64 -2.893 -22.977 -5.782 1.00 11.04 C ATOM 1019 C LEU A 64 -1.930 -24.150 -5.934 1.00 34.52 C ATOM 1020 O LEU A 64 -0.758 -24.051 -5.575 1.00 42.03 O ATOM 1021 CB LEU A 64 -3.211 -22.378 -7.151 1.00 53.02 C ATOM 1022 CG LEU A 64 -4.351 -21.354 -7.065 1.00 1.30 C ATOM 1023 CD1 LEU A 64 -3.791 -19.939 -7.144 1.00 51.03 C ATOM 1024 CD2 LEU A 64 -5.368 -21.580 -8.186 1.00 24.45 C ATOM 0 H LEU A 64 -1.633 -21.368 -5.345 1.00 25.51 H new ATOM 0 HA LEU A 64 -3.816 -23.345 -5.335 1.00 11.04 H new ATOM 0 HB2 LEU A 64 -2.320 -21.899 -7.556 1.00 53.02 H new ATOM 0 HB3 LEU A 64 -3.487 -23.174 -7.843 1.00 53.02 H new ATOM 0 HG LEU A 64 -4.858 -21.483 -6.109 1.00 1.30 H new ATOM 0 HD11 LEU A 64 -4.608 -19.220 -7.082 1.00 51.03 H new ATOM 0 HD12 LEU A 64 -3.100 -19.775 -6.317 1.00 51.03 H new ATOM 0 HD13 LEU A 64 -3.264 -19.809 -8.089 1.00 51.03 H new ATOM 0 HD21 LEU A 64 -6.167 -20.843 -8.106 1.00 24.45 H new ATOM 0 HD22 LEU A 64 -4.874 -21.476 -9.152 1.00 24.45 H new ATOM 0 HD23 LEU A 64 -5.788 -22.582 -8.100 1.00 24.45 H new ATOM 1036 N LEU A 65 -2.444 -25.250 -6.495 1.00 41.42 N ATOM 1037 CA LEU A 65 -1.703 -26.460 -6.809 1.00 60.35 C ATOM 1038 C LEU A 65 -1.940 -26.764 -8.290 1.00 12.05 C ATOM 1039 O LEU A 65 -2.922 -27.418 -8.638 1.00 15.01 O ATOM 1040 CB LEU A 65 -2.207 -27.581 -5.886 1.00 60.23 C ATOM 1041 CG LEU A 65 -1.366 -28.864 -5.958 1.00 60.23 C ATOM 1042 CD1 LEU A 65 -0.046 -28.709 -5.196 1.00 54.33 C ATOM 1043 CD2 LEU A 65 -2.166 -30.024 -5.353 1.00 22.35 C ATOM 0 H LEU A 65 -3.429 -25.316 -6.750 1.00 41.42 H new ATOM 0 HA LEU A 65 -0.630 -26.357 -6.646 1.00 60.35 H new ATOM 0 HB2 LEU A 65 -2.213 -27.218 -4.858 1.00 60.23 H new ATOM 0 HB3 LEU A 65 -3.239 -27.818 -6.147 1.00 60.23 H new ATOM 0 HG LEU A 65 -1.135 -29.065 -7.004 1.00 60.23 H new ATOM 0 HD11 LEU A 65 0.526 -29.634 -5.266 1.00 54.33 H new ATOM 0 HD12 LEU A 65 0.531 -27.892 -5.630 1.00 54.33 H new ATOM 0 HD13 LEU A 65 -0.254 -28.490 -4.149 1.00 54.33 H new ATOM 0 HD21 LEU A 65 -1.574 -30.938 -5.401 1.00 22.35 H new ATOM 0 HD22 LEU A 65 -2.403 -29.799 -4.313 1.00 22.35 H new ATOM 0 HD23 LEU A 65 -3.090 -30.160 -5.914 1.00 22.35 H new ATOM 1055 N TYR A 66 -1.061 -26.259 -9.165 1.00 14.14 N ATOM 1056 CA TYR A 66 -1.219 -26.376 -10.609 1.00 42.31 C ATOM 1057 C TYR A 66 -0.539 -27.648 -11.122 1.00 43.05 C ATOM 1058 O TYR A 66 0.611 -27.603 -11.561 1.00 13.22 O ATOM 1059 CB TYR A 66 -0.682 -25.119 -11.304 1.00 33.12 C ATOM 1060 CG TYR A 66 -1.512 -23.863 -11.116 1.00 12.20 C ATOM 1061 CD1 TYR A 66 -1.161 -22.917 -10.137 1.00 44.04 C ATOM 1062 CD2 TYR A 66 -2.522 -23.555 -12.046 1.00 14.44 C ATOM 1063 CE1 TYR A 66 -1.762 -21.646 -10.143 1.00 53.13 C ATOM 1064 CE2 TYR A 66 -3.147 -22.297 -12.029 1.00 14.11 C ATOM 1065 CZ TYR A 66 -2.748 -21.330 -11.090 1.00 43.44 C ATOM 1066 OH TYR A 66 -3.305 -20.084 -11.102 1.00 31.33 O ATOM 0 H TYR A 66 -0.219 -25.757 -8.884 1.00 14.14 H new ATOM 0 HA TYR A 66 -2.280 -26.457 -10.847 1.00 42.31 H new ATOM 0 HB2 TYR A 66 0.326 -24.925 -10.938 1.00 33.12 H new ATOM 0 HB3 TYR A 66 -0.600 -25.323 -12.372 1.00 33.12 H new ATOM 0 HD1 TYR A 66 -0.431 -23.166 -9.381 1.00 44.04 H new ATOM 0 HD2 TYR A 66 -2.819 -24.291 -12.778 1.00 14.44 H new ATOM 0 HE1 TYR A 66 -1.463 -20.908 -9.414 1.00 53.13 H new ATOM 0 HE2 TYR A 66 -3.932 -22.073 -12.736 1.00 14.11 H new ATOM 0 HH TYR A 66 -3.970 -20.030 -11.820 1.00 31.33 H new ATOM 1076 N TYR A 67 -1.261 -28.776 -11.057 1.00 44.41 N ATOM 1077 CA TYR A 67 -0.747 -30.096 -11.406 1.00 13.11 C ATOM 1078 C TYR A 67 -1.268 -30.600 -12.753 1.00 62.24 C ATOM 1079 O TYR A 67 -2.459 -30.500 -13.040 1.00 61.34 O ATOM 1080 CB TYR A 67 -1.083 -31.102 -10.293 1.00 22.22 C ATOM 1081 CG TYR A 67 -2.558 -31.362 -10.044 1.00 11.24 C ATOM 1082 CD1 TYR A 67 -3.232 -30.660 -9.029 1.00 32.44 C ATOM 1083 CD2 TYR A 67 -3.242 -32.354 -10.772 1.00 60.14 C ATOM 1084 CE1 TYR A 67 -4.602 -30.872 -8.811 1.00 12.10 C ATOM 1085 CE2 TYR A 67 -4.610 -32.582 -10.542 1.00 3.00 C ATOM 1086 CZ TYR A 67 -5.297 -31.820 -9.580 1.00 74.11 C ATOM 1087 OH TYR A 67 -6.638 -31.987 -9.391 1.00 42.24 O ATOM 0 H TYR A 67 -2.235 -28.790 -10.754 1.00 44.41 H new ATOM 0 HA TYR A 67 0.335 -30.002 -11.504 1.00 13.11 H new ATOM 0 HB2 TYR A 67 -0.604 -32.051 -10.534 1.00 22.22 H new ATOM 0 HB3 TYR A 67 -0.637 -30.746 -9.364 1.00 22.22 H new ATOM 0 HD1 TYR A 67 -2.693 -29.954 -8.414 1.00 32.44 H new ATOM 0 HD2 TYR A 67 -2.714 -32.941 -11.509 1.00 60.14 H new ATOM 0 HE1 TYR A 67 -5.122 -30.306 -8.052 1.00 12.10 H new ATOM 0 HE2 TYR A 67 -5.133 -33.342 -11.104 1.00 3.00 H new ATOM 0 HH TYR A 67 -6.971 -32.679 -10.000 1.00 42.24 H new ATOM 1097 N THR A 68 -0.366 -31.195 -13.542 1.00 22.14 N ATOM 1098 CA THR A 68 -0.685 -32.075 -14.662 1.00 62.45 C ATOM 1099 C THR A 68 -0.509 -33.540 -14.213 1.00 22.51 C ATOM 1100 O THR A 68 -0.425 -33.812 -13.016 1.00 22.53 O ATOM 1101 CB THR A 68 0.195 -31.692 -15.868 1.00 24.22 C ATOM 1102 OG1 THR A 68 -0.179 -32.440 -17.006 1.00 51.34 O ATOM 1103 CG2 THR A 68 1.694 -31.867 -15.603 1.00 62.43 C ATOM 0 H THR A 68 0.638 -31.070 -13.411 1.00 22.14 H new ATOM 0 HA THR A 68 -1.722 -31.962 -14.979 1.00 62.45 H new ATOM 0 HB THR A 68 0.025 -30.630 -16.046 1.00 24.22 H new ATOM 0 HG1 THR A 68 0.624 -32.708 -17.500 1.00 51.34 H new ATOM 0 HG21 THR A 68 2.256 -31.580 -16.492 1.00 62.43 H new ATOM 0 HG22 THR A 68 1.992 -31.236 -14.766 1.00 62.43 H new ATOM 0 HG23 THR A 68 1.902 -32.910 -15.363 1.00 62.43 H new ATOM 1111 N GLU A 69 -0.416 -34.474 -15.169 1.00 14.42 N ATOM 1112 CA GLU A 69 -0.121 -35.886 -14.956 1.00 55.55 C ATOM 1113 C GLU A 69 0.920 -36.347 -15.986 1.00 5.23 C ATOM 1114 O GLU A 69 0.684 -37.275 -16.758 1.00 54.02 O ATOM 1115 CB GLU A 69 -1.420 -36.714 -14.977 1.00 44.04 C ATOM 1116 CG GLU A 69 -2.289 -36.587 -16.242 1.00 21.54 C ATOM 1117 CD GLU A 69 -3.147 -35.323 -16.255 1.00 60.31 C ATOM 1118 OE1 GLU A 69 -2.759 -34.372 -16.968 1.00 44.04 O ATOM 1119 OE2 GLU A 69 -4.190 -35.340 -15.564 1.00 60.53 O ATOM 0 H GLU A 69 -0.552 -34.249 -16.155 1.00 14.42 H new ATOM 0 HA GLU A 69 0.315 -36.041 -13.969 1.00 55.55 H new ATOM 0 HB2 GLU A 69 -1.159 -37.764 -14.845 1.00 44.04 H new ATOM 0 HB3 GLU A 69 -2.024 -36.425 -14.117 1.00 44.04 H new ATOM 0 HG2 GLU A 69 -1.644 -36.590 -17.121 1.00 21.54 H new ATOM 0 HG3 GLU A 69 -2.937 -37.460 -16.319 1.00 21.54 H new ATOM 1126 N PHE A 70 2.079 -35.675 -16.006 1.00 53.33 N ATOM 1127 CA PHE A 70 3.070 -35.794 -17.071 1.00 25.10 C ATOM 1128 C PHE A 70 3.756 -37.162 -17.110 1.00 14.34 C ATOM 1129 O PHE A 70 3.915 -37.806 -16.077 1.00 21.13 O ATOM 1130 CB PHE A 70 4.113 -34.678 -16.945 1.00 42.22 C ATOM 1131 CG PHE A 70 5.096 -34.809 -15.792 1.00 41.05 C ATOM 1132 CD1 PHE A 70 4.832 -34.194 -14.555 1.00 43.22 C ATOM 1133 CD2 PHE A 70 6.299 -35.519 -15.966 1.00 54.53 C ATOM 1134 CE1 PHE A 70 5.771 -34.275 -13.509 1.00 51.44 C ATOM 1135 CE2 PHE A 70 7.243 -35.584 -14.928 1.00 61.44 C ATOM 1136 CZ PHE A 70 6.979 -34.962 -13.697 1.00 55.31 C ATOM 0 H PHE A 70 2.353 -35.025 -15.269 1.00 53.33 H new ATOM 0 HA PHE A 70 2.531 -35.693 -18.013 1.00 25.10 H new ATOM 0 HB2 PHE A 70 4.679 -34.631 -17.875 1.00 42.22 H new ATOM 0 HB3 PHE A 70 3.589 -33.728 -16.843 1.00 42.22 H new ATOM 0 HD1 PHE A 70 3.906 -33.658 -14.407 1.00 43.22 H new ATOM 0 HD2 PHE A 70 6.497 -36.017 -16.904 1.00 54.53 H new ATOM 0 HE1 PHE A 70 5.560 -33.807 -12.559 1.00 51.44 H new ATOM 0 HE2 PHE A 70 8.173 -36.113 -15.077 1.00 61.44 H new ATOM 0 HZ PHE A 70 7.704 -35.013 -12.898 1.00 55.31 H new ATOM 1146 N THR A 71 4.177 -37.581 -18.311 1.00 4.12 N ATOM 1147 CA THR A 71 4.822 -38.863 -18.571 1.00 22.22 C ATOM 1148 C THR A 71 6.314 -38.654 -18.881 1.00 1.24 C ATOM 1149 O THR A 71 6.643 -38.389 -20.037 1.00 72.32 O ATOM 1150 CB THR A 71 4.108 -39.542 -19.754 1.00 32.30 C ATOM 1151 OG1 THR A 71 2.728 -39.657 -19.472 1.00 34.11 O ATOM 1152 CG2 THR A 71 4.670 -40.944 -20.020 1.00 52.22 C ATOM 0 H THR A 71 4.072 -37.014 -19.152 1.00 4.12 H new ATOM 0 HA THR A 71 4.751 -39.501 -17.690 1.00 22.22 H new ATOM 0 HB THR A 71 4.271 -38.925 -20.638 1.00 32.30 H new ATOM 0 HG1 THR A 71 2.275 -40.088 -20.227 1.00 34.11 H new ATOM 0 HG21 THR A 71 4.143 -41.394 -20.861 1.00 52.22 H new ATOM 0 HG22 THR A 71 5.732 -40.872 -20.254 1.00 52.22 H new ATOM 0 HG23 THR A 71 4.535 -41.564 -19.134 1.00 52.22 H new ATOM 1160 N PRO A 72 7.230 -38.785 -17.905 1.00 72.34 N ATOM 1161 CA PRO A 72 8.661 -38.689 -18.148 1.00 13.30 C ATOM 1162 C PRO A 72 9.145 -39.914 -18.925 1.00 1.54 C ATOM 1163 O PRO A 72 9.178 -41.019 -18.386 1.00 52.41 O ATOM 1164 CB PRO A 72 9.313 -38.605 -16.767 1.00 54.43 C ATOM 1165 CG PRO A 72 8.332 -39.350 -15.866 1.00 62.43 C ATOM 1166 CD PRO A 72 6.969 -39.088 -16.508 1.00 64.33 C ATOM 0 HA PRO A 72 8.919 -37.818 -18.750 1.00 13.30 H new ATOM 0 HB2 PRO A 72 10.299 -39.070 -16.759 1.00 54.43 H new ATOM 0 HB3 PRO A 72 9.446 -37.571 -16.448 1.00 54.43 H new ATOM 0 HG2 PRO A 72 8.557 -40.416 -15.827 1.00 62.43 H new ATOM 0 HG3 PRO A 72 8.369 -38.978 -14.842 1.00 62.43 H new ATOM 0 HD2 PRO A 72 6.320 -39.959 -16.413 1.00 64.33 H new ATOM 0 HD3 PRO A 72 6.461 -38.257 -16.018 1.00 64.33 H new ATOM 1174 N THR A 73 9.529 -39.708 -20.190 1.00 63.42 N ATOM 1175 CA THR A 73 10.130 -40.734 -21.028 1.00 4.53 C ATOM 1176 C THR A 73 11.526 -41.054 -20.491 1.00 44.13 C ATOM 1177 O THR A 73 11.756 -42.163 -20.013 1.00 20.20 O ATOM 1178 CB THR A 73 10.156 -40.257 -22.490 1.00 2.21 C ATOM 1179 OG1 THR A 73 8.836 -39.989 -22.919 1.00 4.13 O ATOM 1180 CG2 THR A 73 10.770 -41.310 -23.420 1.00 60.51 C ATOM 0 H THR A 73 9.427 -38.809 -20.660 1.00 63.42 H new ATOM 0 HA THR A 73 9.542 -41.652 -21.001 1.00 4.53 H new ATOM 0 HB THR A 73 10.769 -39.357 -22.535 1.00 2.21 H new ATOM 0 HG1 THR A 73 8.850 -39.683 -23.850 1.00 4.13 H new ATOM 0 HG21 THR A 73 10.770 -40.936 -24.444 1.00 60.51 H new ATOM 0 HG22 THR A 73 11.794 -41.517 -23.109 1.00 60.51 H new ATOM 0 HG23 THR A 73 10.183 -42.227 -23.369 1.00 60.51 H new ATOM 1188 N GLU A 74 12.438 -40.074 -20.554 1.00 24.21 N ATOM 1189 CA GLU A 74 13.782 -40.164 -20.006 1.00 53.54 C ATOM 1190 C GLU A 74 14.354 -38.756 -19.834 1.00 31.42 C ATOM 1191 O GLU A 74 14.327 -38.214 -18.729 1.00 64.34 O ATOM 1192 CB GLU A 74 14.671 -41.060 -20.890 1.00 64.23 C ATOM 1193 CG GLU A 74 16.084 -41.210 -20.310 1.00 0.52 C ATOM 1194 CD GLU A 74 16.981 -42.020 -21.240 1.00 53.03 C ATOM 1195 OE1 GLU A 74 17.727 -41.378 -22.013 1.00 61.54 O ATOM 1196 OE2 GLU A 74 16.906 -43.265 -21.164 1.00 53.21 O ATOM 0 H GLU A 74 12.248 -39.177 -21.001 1.00 24.21 H new ATOM 0 HA GLU A 74 13.751 -40.634 -19.023 1.00 53.54 H new ATOM 0 HB2 GLU A 74 14.212 -42.044 -20.988 1.00 64.23 H new ATOM 0 HB3 GLU A 74 14.733 -40.636 -21.892 1.00 64.23 H new ATOM 0 HG2 GLU A 74 16.520 -40.224 -20.148 1.00 0.52 H new ATOM 0 HG3 GLU A 74 16.030 -41.698 -19.337 1.00 0.52 H new ATOM 1203 N LYS A 75 14.896 -38.181 -20.915 1.00 45.43 N ATOM 1204 CA LYS A 75 15.655 -36.940 -20.887 1.00 73.11 C ATOM 1205 C LYS A 75 14.724 -35.777 -21.231 1.00 44.11 C ATOM 1206 O LYS A 75 14.962 -35.019 -22.170 1.00 21.41 O ATOM 1207 CB LYS A 75 16.859 -37.084 -21.828 1.00 31.30 C ATOM 1208 CG LYS A 75 17.913 -35.994 -21.588 1.00 33.44 C ATOM 1209 CD LYS A 75 19.104 -36.112 -22.548 1.00 44.12 C ATOM 1210 CE LYS A 75 19.917 -37.395 -22.335 1.00 73.23 C ATOM 1211 NZ LYS A 75 21.128 -37.403 -23.173 1.00 64.21 N ATOM 0 H LYS A 75 14.813 -38.580 -21.850 1.00 45.43 H new ATOM 0 HA LYS A 75 16.055 -36.725 -19.896 1.00 73.11 H new ATOM 0 HB2 LYS A 75 17.314 -38.065 -21.687 1.00 31.30 H new ATOM 0 HB3 LYS A 75 16.518 -37.037 -22.862 1.00 31.30 H new ATOM 0 HG2 LYS A 75 17.451 -35.014 -21.705 1.00 33.44 H new ATOM 0 HG3 LYS A 75 18.270 -36.058 -20.560 1.00 33.44 H new ATOM 0 HD2 LYS A 75 18.740 -36.085 -23.575 1.00 44.12 H new ATOM 0 HD3 LYS A 75 19.756 -35.249 -22.418 1.00 44.12 H new ATOM 0 HE2 LYS A 75 20.197 -37.481 -21.285 1.00 73.23 H new ATOM 0 HE3 LYS A 75 19.301 -38.263 -22.573 1.00 73.23 H new ATOM 0 HZ1 LYS A 75 21.658 -38.282 -23.008 1.00 64.21 H new ATOM 0 HZ2 LYS A 75 20.857 -37.345 -24.175 1.00 64.21 H new ATOM 0 HZ3 LYS A 75 21.725 -36.588 -22.928 1.00 64.21 H new ATOM 1225 N ASP A 76 13.650 -35.658 -20.445 1.00 43.35 N ATOM 1226 CA ASP A 76 12.643 -34.615 -20.570 1.00 54.02 C ATOM 1227 C ASP A 76 13.079 -33.353 -19.822 1.00 33.45 C ATOM 1228 O ASP A 76 14.096 -33.349 -19.127 1.00 4.42 O ATOM 1229 CB ASP A 76 11.315 -35.139 -20.019 1.00 34.44 C ATOM 1230 CG ASP A 76 10.797 -36.338 -20.807 1.00 64.14 C ATOM 1231 OD1 ASP A 76 9.937 -36.120 -21.687 1.00 13.11 O ATOM 1232 OD2 ASP A 76 11.273 -37.455 -20.514 1.00 21.33 O ATOM 0 H ASP A 76 13.457 -36.308 -19.683 1.00 43.35 H new ATOM 0 HA ASP A 76 12.520 -34.351 -21.621 1.00 54.02 H new ATOM 0 HB2 ASP A 76 11.443 -35.421 -18.974 1.00 34.44 H new ATOM 0 HB3 ASP A 76 10.573 -34.341 -20.045 1.00 34.44 H new ATOM 1237 N GLU A 77 12.296 -32.279 -19.973 1.00 41.12 N ATOM 1238 CA GLU A 77 12.560 -30.976 -19.385 1.00 54.41 C ATOM 1239 C GLU A 77 11.238 -30.241 -19.142 1.00 44.05 C ATOM 1240 O GLU A 77 10.918 -29.260 -19.812 1.00 14.00 O ATOM 1241 CB GLU A 77 13.569 -30.180 -20.236 1.00 2.43 C ATOM 1242 CG GLU A 77 13.261 -30.095 -21.742 1.00 61.34 C ATOM 1243 CD GLU A 77 13.562 -31.390 -22.497 1.00 4.11 C ATOM 1244 OE1 GLU A 77 12.610 -31.935 -23.096 1.00 21.30 O ATOM 1245 OE2 GLU A 77 14.739 -31.811 -22.465 1.00 0.42 O ATOM 0 H GLU A 77 11.438 -32.301 -20.525 1.00 41.12 H new ATOM 0 HA GLU A 77 13.036 -31.098 -18.412 1.00 54.41 H new ATOM 0 HB2 GLU A 77 13.629 -29.166 -19.840 1.00 2.43 H new ATOM 0 HB3 GLU A 77 14.554 -30.630 -20.111 1.00 2.43 H new ATOM 0 HG2 GLU A 77 12.210 -29.841 -21.877 1.00 61.34 H new ATOM 0 HG3 GLU A 77 13.844 -29.284 -22.179 1.00 61.34 H new ATOM 1252 N TYR A 78 10.482 -30.712 -18.142 1.00 63.31 N ATOM 1253 CA TYR A 78 9.248 -30.083 -17.690 1.00 52.54 C ATOM 1254 C TYR A 78 9.575 -28.746 -17.027 1.00 23.31 C ATOM 1255 O TYR A 78 10.583 -28.632 -16.330 1.00 4.44 O ATOM 1256 CB TYR A 78 8.518 -31.012 -16.712 1.00 20.11 C ATOM 1257 CG TYR A 78 8.158 -32.349 -17.324 1.00 42.01 C ATOM 1258 CD1 TYR A 78 7.019 -32.456 -18.141 1.00 11.51 C ATOM 1259 CD2 TYR A 78 9.049 -33.435 -17.228 1.00 51.24 C ATOM 1260 CE1 TYR A 78 6.825 -33.602 -18.928 1.00 24.24 C ATOM 1261 CE2 TYR A 78 8.818 -34.604 -17.969 1.00 73.24 C ATOM 1262 CZ TYR A 78 7.742 -34.661 -18.868 1.00 75.12 C ATOM 1263 OH TYR A 78 7.577 -35.750 -19.670 1.00 21.44 O ATOM 0 H TYR A 78 10.720 -31.555 -17.620 1.00 63.31 H new ATOM 0 HA TYR A 78 8.593 -29.901 -18.542 1.00 52.54 H new ATOM 0 HB2 TYR A 78 9.147 -31.177 -15.837 1.00 20.11 H new ATOM 0 HB3 TYR A 78 7.609 -30.522 -16.363 1.00 20.11 H new ATOM 0 HD1 TYR A 78 6.293 -31.656 -18.163 1.00 11.51 H new ATOM 0 HD2 TYR A 78 9.912 -33.368 -16.583 1.00 51.24 H new ATOM 0 HE1 TYR A 78 5.967 -33.668 -19.581 1.00 24.24 H new ATOM 0 HE2 TYR A 78 9.467 -35.458 -17.848 1.00 73.24 H new ATOM 0 HH TYR A 78 8.268 -35.752 -20.365 1.00 21.44 H new ATOM 1273 N ALA A 79 8.734 -27.729 -17.256 1.00 15.14 N ATOM 1274 CA ALA A 79 8.943 -26.404 -16.695 1.00 13.24 C ATOM 1275 C ALA A 79 7.622 -25.652 -16.553 1.00 74.34 C ATOM 1276 O ALA A 79 6.786 -25.676 -17.456 1.00 63.53 O ATOM 1277 CB ALA A 79 9.927 -25.611 -17.558 1.00 40.44 C ATOM 0 H ALA A 79 7.897 -27.809 -17.833 1.00 15.14 H new ATOM 0 HA ALA A 79 9.369 -26.520 -15.698 1.00 13.24 H new ATOM 0 HB1 ALA A 79 10.074 -24.621 -17.126 1.00 40.44 H new ATOM 0 HB2 ALA A 79 10.882 -26.135 -17.597 1.00 40.44 H new ATOM 0 HB3 ALA A 79 9.527 -25.511 -18.567 1.00 40.44 H new ATOM 1283 N CYS A 80 7.459 -24.977 -15.408 1.00 14.31 N ATOM 1284 CA CYS A 80 6.287 -24.178 -15.092 1.00 52.04 C ATOM 1285 C CYS A 80 6.517 -22.730 -15.534 1.00 23.14 C ATOM 1286 O CYS A 80 7.512 -22.121 -15.144 1.00 20.33 O ATOM 1287 CB CYS A 80 5.997 -24.272 -13.592 1.00 20.22 C ATOM 1288 SG CYS A 80 4.416 -23.532 -13.124 1.00 34.30 S ATOM 0 H CYS A 80 8.158 -24.977 -14.665 1.00 14.31 H new ATOM 0 HA CYS A 80 5.417 -24.557 -15.629 1.00 52.04 H new ATOM 0 HB2 CYS A 80 6.003 -25.320 -13.292 1.00 20.22 H new ATOM 0 HB3 CYS A 80 6.798 -23.779 -13.042 1.00 20.22 H new ATOM 1293 N ARG A 81 5.607 -22.188 -16.354 1.00 51.12 N ATOM 1294 CA ARG A 81 5.700 -20.856 -16.928 1.00 11.40 C ATOM 1295 C ARG A 81 4.931 -19.928 -15.999 1.00 74.54 C ATOM 1296 O ARG A 81 3.705 -19.892 -16.051 1.00 5.22 O ATOM 1297 CB ARG A 81 5.105 -20.891 -18.344 1.00 61.41 C ATOM 1298 CG ARG A 81 5.325 -19.613 -19.169 1.00 44.15 C ATOM 1299 CD ARG A 81 4.482 -18.420 -18.705 1.00 21.23 C ATOM 1300 NE ARG A 81 4.293 -17.454 -19.795 1.00 22.44 N ATOM 1301 CZ ARG A 81 3.336 -16.510 -19.843 1.00 4.44 C ATOM 1302 NH1 ARG A 81 2.420 -16.398 -18.872 1.00 5.44 N ATOM 1303 NH2 ARG A 81 3.297 -15.663 -20.880 1.00 23.42 N ATOM 0 H ARG A 81 4.764 -22.686 -16.639 1.00 51.12 H new ATOM 0 HA ARG A 81 6.727 -20.502 -17.018 1.00 11.40 H new ATOM 0 HB2 ARG A 81 5.538 -21.734 -18.884 1.00 61.41 H new ATOM 0 HB3 ARG A 81 4.034 -21.077 -18.268 1.00 61.41 H new ATOM 0 HG2 ARG A 81 6.379 -19.340 -19.123 1.00 44.15 H new ATOM 0 HG3 ARG A 81 5.095 -19.823 -20.214 1.00 44.15 H new ATOM 0 HD2 ARG A 81 3.512 -18.771 -18.353 1.00 21.23 H new ATOM 0 HD3 ARG A 81 4.970 -17.931 -17.862 1.00 21.23 H new ATOM 0 HE ARG A 81 4.941 -17.503 -20.581 1.00 22.44 H new ATOM 0 HH11 ARG A 81 2.440 -17.036 -18.076 1.00 5.44 H new ATOM 0 HH12 ARG A 81 1.703 -15.675 -18.928 1.00 5.44 H new ATOM 0 HH21 ARG A 81 3.990 -15.737 -21.625 1.00 23.42 H new ATOM 0 HH22 ARG A 81 2.575 -14.944 -20.924 1.00 23.42 H new ATOM 1317 N VAL A 82 5.652 -19.221 -15.124 1.00 4.00 N ATOM 1318 CA VAL A 82 5.063 -18.405 -14.077 1.00 15.51 C ATOM 1319 C VAL A 82 5.313 -16.932 -14.394 1.00 51.24 C ATOM 1320 O VAL A 82 6.329 -16.373 -13.984 1.00 32.42 O ATOM 1321 CB VAL A 82 5.628 -18.820 -12.705 1.00 21.21 C ATOM 1322 CG1 VAL A 82 4.886 -18.071 -11.594 1.00 40.53 C ATOM 1323 CG2 VAL A 82 5.441 -20.319 -12.456 1.00 33.45 C ATOM 0 H VAL A 82 6.672 -19.204 -15.129 1.00 4.00 H new ATOM 0 HA VAL A 82 3.985 -18.558 -14.033 1.00 15.51 H new ATOM 0 HB VAL A 82 6.691 -18.579 -12.702 1.00 21.21 H new ATOM 0 HG11 VAL A 82 5.288 -18.367 -10.625 1.00 40.53 H new ATOM 0 HG12 VAL A 82 5.017 -16.997 -11.729 1.00 40.53 H new ATOM 0 HG13 VAL A 82 3.825 -18.315 -11.637 1.00 40.53 H new ATOM 0 HG21 VAL A 82 5.850 -20.579 -11.480 1.00 33.45 H new ATOM 0 HG22 VAL A 82 4.379 -20.562 -12.481 1.00 33.45 H new ATOM 0 HG23 VAL A 82 5.961 -20.884 -13.230 1.00 33.45 H new ATOM 1333 N ASN A 83 4.365 -16.298 -15.095 1.00 33.52 N ATOM 1334 CA ASN A 83 4.315 -14.848 -15.233 1.00 25.20 C ATOM 1335 C ASN A 83 3.296 -14.300 -14.233 1.00 52.01 C ATOM 1336 O ASN A 83 2.333 -14.983 -13.891 1.00 31.10 O ATOM 1337 CB ASN A 83 3.950 -14.460 -16.669 1.00 52.01 C ATOM 1338 CG ASN A 83 4.060 -12.952 -16.890 1.00 42.45 C ATOM 1339 OD1 ASN A 83 3.050 -12.252 -16.910 1.00 71.23 O ATOM 1340 ND2 ASN A 83 5.286 -12.447 -17.047 1.00 62.23 N ATOM 0 H ASN A 83 3.611 -16.783 -15.582 1.00 33.52 H new ATOM 0 HA ASN A 83 5.293 -14.417 -15.021 1.00 25.20 H new ATOM 0 HB2 ASN A 83 4.609 -14.979 -17.365 1.00 52.01 H new ATOM 0 HB3 ASN A 83 2.933 -14.787 -16.888 1.00 52.01 H new ATOM 0 HD21 ASN A 83 5.410 -11.445 -17.190 1.00 62.23 H new ATOM 0 HD22 ASN A 83 6.098 -13.063 -17.024 1.00 62.23 H new ATOM 1347 N HIS A 84 3.523 -13.069 -13.765 1.00 0.00 N ATOM 1348 CA HIS A 84 2.680 -12.364 -12.810 1.00 0.00 C ATOM 1349 C HIS A 84 2.785 -10.867 -13.109 1.00 0.00 C ATOM 1350 O HIS A 84 3.682 -10.453 -13.841 1.00 0.00 O ATOM 1351 CB HIS A 84 3.149 -12.706 -11.386 1.00 0.00 C ATOM 1352 CG HIS A 84 2.324 -12.104 -10.275 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.922 -11.395 -9.235 1.00 0.00 N ATOM 1354 CD2 HIS A 84 0.970 -12.132 -10.062 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.909 -11.007 -8.456 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.715 -11.415 -8.912 1.00 0.00 N ATOM 0 H HIS A 84 4.332 -12.520 -14.056 1.00 0.00 H new ATOM 0 HA HIS A 84 1.635 -12.662 -12.892 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.148 -13.790 -11.271 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.181 -12.374 -11.271 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.236 -12.626 -10.682 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.037 -10.426 -7.554 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.197 -11.232 -8.493 1.00 0.00 H new ATOM 1364 N VAL A 85 1.880 -10.052 -12.552 1.00 61.24 N ATOM 1365 CA VAL A 85 1.888 -8.604 -12.748 1.00 4.04 C ATOM 1366 C VAL A 85 3.216 -7.981 -12.293 1.00 14.30 C ATOM 1367 O VAL A 85 3.647 -6.986 -12.873 1.00 34.42 O ATOM 1368 CB VAL A 85 0.655 -7.964 -12.083 1.00 41.51 C ATOM 1369 CG1 VAL A 85 0.721 -6.430 -12.098 1.00 35.33 C ATOM 1370 CG2 VAL A 85 -0.618 -8.388 -12.826 1.00 1.42 C ATOM 0 H VAL A 85 1.123 -10.382 -11.953 1.00 61.24 H new ATOM 0 HA VAL A 85 1.815 -8.394 -13.815 1.00 4.04 H new ATOM 0 HB VAL A 85 0.640 -8.307 -11.048 1.00 41.51 H new ATOM 0 HG11 VAL A 85 -0.169 -6.023 -11.619 1.00 35.33 H new ATOM 0 HG12 VAL A 85 1.608 -6.099 -11.558 1.00 35.33 H new ATOM 0 HG13 VAL A 85 0.771 -6.078 -13.128 1.00 35.33 H new ATOM 0 HG21 VAL A 85 -1.486 -7.932 -12.350 1.00 1.42 H new ATOM 0 HG22 VAL A 85 -0.559 -8.061 -13.864 1.00 1.42 H new ATOM 0 HG23 VAL A 85 -0.715 -9.473 -12.792 1.00 1.42 H new ATOM 1380 N THR A 86 3.885 -8.571 -11.292 1.00 2.21 N ATOM 1381 CA THR A 86 5.192 -8.121 -10.833 1.00 20.32 C ATOM 1382 C THR A 86 6.280 -8.410 -11.872 1.00 64.41 C ATOM 1383 O THR A 86 7.160 -7.576 -12.080 1.00 32.43 O ATOM 1384 CB THR A 86 5.538 -8.780 -9.489 1.00 23.13 C ATOM 1385 OG1 THR A 86 5.514 -10.186 -9.601 1.00 20.40 O ATOM 1386 CG2 THR A 86 4.576 -8.335 -8.385 1.00 11.23 C ATOM 0 H THR A 86 3.526 -9.377 -10.780 1.00 2.21 H new ATOM 0 HA THR A 86 5.148 -7.041 -10.695 1.00 20.32 H new ATOM 0 HB THR A 86 6.545 -8.460 -9.220 1.00 23.13 H new ATOM 0 HG1 THR A 86 4.589 -10.503 -9.541 1.00 20.40 H new ATOM 0 HG21 THR A 86 4.849 -8.820 -7.448 1.00 11.23 H new ATOM 0 HG22 THR A 86 4.635 -7.253 -8.265 1.00 11.23 H new ATOM 0 HG23 THR A 86 3.558 -8.615 -8.655 1.00 11.23 H new ATOM 1394 N LEU A 87 6.240 -9.596 -12.497 1.00 61.43 N ATOM 1395 CA LEU A 87 7.297 -10.080 -13.374 1.00 45.02 C ATOM 1396 C LEU A 87 7.006 -9.682 -14.821 1.00 51.34 C ATOM 1397 O LEU A 87 6.010 -10.117 -15.397 1.00 21.30 O ATOM 1398 CB LEU A 87 7.444 -11.604 -13.248 1.00 54.24 C ATOM 1399 CG LEU A 87 7.490 -12.113 -11.796 1.00 71.34 C ATOM 1400 CD1 LEU A 87 7.653 -13.636 -11.792 1.00 13.43 C ATOM 1401 CD2 LEU A 87 8.627 -11.468 -10.993 1.00 23.52 C ATOM 0 H LEU A 87 5.461 -10.247 -12.402 1.00 61.43 H new ATOM 0 HA LEU A 87 8.239 -9.622 -13.073 1.00 45.02 H new ATOM 0 HB2 LEU A 87 6.611 -12.082 -13.763 1.00 54.24 H new ATOM 0 HB3 LEU A 87 8.355 -11.914 -13.759 1.00 54.24 H new ATOM 0 HG LEU A 87 6.551 -11.834 -11.317 1.00 71.34 H new ATOM 0 HD11 LEU A 87 7.686 -13.996 -10.764 1.00 13.43 H new ATOM 0 HD12 LEU A 87 6.810 -14.093 -12.310 1.00 13.43 H new ATOM 0 HD13 LEU A 87 8.580 -13.904 -12.300 1.00 13.43 H new ATOM 0 HD21 LEU A 87 8.620 -11.858 -9.975 1.00 23.52 H new ATOM 0 HD22 LEU A 87 9.582 -11.700 -11.464 1.00 23.52 H new ATOM 0 HD23 LEU A 87 8.488 -10.387 -10.969 1.00 23.52 H new ATOM 1413 N SER A 88 7.891 -8.875 -15.418 1.00 4.10 N ATOM 1414 CA SER A 88 7.795 -8.493 -16.820 1.00 62.13 C ATOM 1415 C SER A 88 7.944 -9.730 -17.711 1.00 31.32 C ATOM 1416 O SER A 88 7.111 -9.965 -18.586 1.00 65.24 O ATOM 1417 CB SER A 88 8.856 -7.432 -17.135 1.00 51.42 C ATOM 1418 OG SER A 88 8.758 -7.029 -18.485 1.00 64.41 O ATOM 0 H SER A 88 8.694 -8.471 -14.936 1.00 4.10 H new ATOM 0 HA SER A 88 6.815 -8.060 -17.021 1.00 62.13 H new ATOM 0 HB2 SER A 88 8.725 -6.570 -16.480 1.00 51.42 H new ATOM 0 HB3 SER A 88 9.851 -7.833 -16.939 1.00 51.42 H new ATOM 0 HG SER A 88 9.439 -6.350 -18.674 1.00 64.41 H new ATOM 1424 N GLN A 89 8.993 -10.526 -17.467 1.00 11.13 N ATOM 1425 CA GLN A 89 9.285 -11.748 -18.207 1.00 65.52 C ATOM 1426 C GLN A 89 8.598 -12.943 -17.535 1.00 61.44 C ATOM 1427 O GLN A 89 8.389 -12.918 -16.322 1.00 72.33 O ATOM 1428 CB GLN A 89 10.807 -11.948 -18.298 1.00 32.23 C ATOM 1429 CG GLN A 89 11.474 -12.254 -16.948 1.00 1.03 C ATOM 1430 CD GLN A 89 12.990 -12.396 -17.079 1.00 63.55 C ATOM 1431 OE1 GLN A 89 13.517 -12.597 -18.172 1.00 12.40 O ATOM 1432 NE2 GLN A 89 13.702 -12.293 -15.953 1.00 24.13 N ATOM 0 H GLN A 89 9.673 -10.329 -16.733 1.00 11.13 H new ATOM 0 HA GLN A 89 8.894 -11.666 -19.221 1.00 65.52 H new ATOM 0 HB2 GLN A 89 11.016 -12.764 -18.989 1.00 32.23 H new ATOM 0 HB3 GLN A 89 11.258 -11.050 -18.720 1.00 32.23 H new ATOM 0 HG2 GLN A 89 11.244 -11.457 -16.241 1.00 1.03 H new ATOM 0 HG3 GLN A 89 11.058 -13.174 -16.538 1.00 1.03 H new ATOM 0 HE21 GLN A 89 13.230 -12.126 -15.064 1.00 24.13 H new ATOM 0 HE22 GLN A 89 14.718 -12.381 -15.982 1.00 24.13 H new ATOM 1441 N PRO A 90 8.263 -14.004 -18.288 1.00 2.42 N ATOM 1442 CA PRO A 90 7.759 -15.242 -17.722 1.00 12.34 C ATOM 1443 C PRO A 90 8.905 -15.994 -17.050 1.00 14.43 C ATOM 1444 O PRO A 90 9.984 -16.131 -17.627 1.00 3.00 O ATOM 1445 CB PRO A 90 7.199 -16.022 -18.909 1.00 24.11 C ATOM 1446 CG PRO A 90 8.078 -15.571 -20.074 1.00 33.12 C ATOM 1447 CD PRO A 90 8.357 -14.105 -19.737 1.00 14.01 C ATOM 0 HA PRO A 90 6.994 -15.084 -16.961 1.00 12.34 H new ATOM 0 HB2 PRO A 90 7.264 -17.098 -18.749 1.00 24.11 H new ATOM 0 HB3 PRO A 90 6.149 -15.789 -19.084 1.00 24.11 H new ATOM 0 HG2 PRO A 90 8.997 -16.154 -20.137 1.00 33.12 H new ATOM 0 HG3 PRO A 90 7.567 -15.676 -21.031 1.00 33.12 H new ATOM 0 HD2 PRO A 90 9.345 -13.805 -20.086 1.00 14.01 H new ATOM 0 HD3 PRO A 90 7.635 -13.448 -20.222 1.00 14.01 H new ATOM 1455 N LYS A 91 8.672 -16.471 -15.823 1.00 14.42 N ATOM 1456 CA LYS A 91 9.669 -17.207 -15.067 1.00 24.12 C ATOM 1457 C LYS A 91 9.542 -18.685 -15.417 1.00 21.50 C ATOM 1458 O LYS A 91 8.607 -19.349 -14.976 1.00 65.41 O ATOM 1459 CB LYS A 91 9.489 -16.954 -13.567 1.00 4.52 C ATOM 1460 CG LYS A 91 10.692 -17.498 -12.793 1.00 5.14 C ATOM 1461 CD LYS A 91 10.480 -17.284 -11.295 1.00 21.13 C ATOM 1462 CE LYS A 91 11.709 -17.750 -10.514 1.00 11.55 C ATOM 1463 NZ LYS A 91 11.522 -17.543 -9.069 1.00 71.42 N ATOM 0 H LYS A 91 7.785 -16.354 -15.333 1.00 14.42 H new ATOM 0 HA LYS A 91 10.673 -16.870 -15.326 1.00 24.12 H new ATOM 0 HB2 LYS A 91 9.380 -15.885 -13.381 1.00 4.52 H new ATOM 0 HB3 LYS A 91 8.575 -17.433 -13.217 1.00 4.52 H new ATOM 0 HG2 LYS A 91 10.822 -18.559 -13.004 1.00 5.14 H new ATOM 0 HG3 LYS A 91 11.603 -16.995 -13.117 1.00 5.14 H new ATOM 0 HD2 LYS A 91 10.291 -16.229 -11.094 1.00 21.13 H new ATOM 0 HD3 LYS A 91 9.599 -17.834 -10.963 1.00 21.13 H new ATOM 0 HE2 LYS A 91 11.893 -18.806 -10.713 1.00 11.55 H new ATOM 0 HE3 LYS A 91 12.589 -17.203 -10.853 1.00 11.55 H new ATOM 0 HZ1 LYS A 91 12.238 -18.086 -8.545 1.00 71.42 H new ATOM 0 HZ2 LYS A 91 11.623 -16.532 -8.847 1.00 71.42 H new ATOM 0 HZ3 LYS A 91 10.572 -17.865 -8.792 1.00 71.42 H new ATOM 1477 N ILE A 92 10.485 -19.188 -16.219 1.00 72.33 N ATOM 1478 CA ILE A 92 10.529 -20.578 -16.638 1.00 13.31 C ATOM 1479 C ILE A 92 11.174 -21.381 -15.508 1.00 45.12 C ATOM 1480 O ILE A 92 12.387 -21.589 -15.502 1.00 65.42 O ATOM 1481 CB ILE A 92 11.286 -20.688 -17.976 1.00 71.23 C ATOM 1482 CG1 ILE A 92 10.748 -19.712 -19.043 1.00 52.22 C ATOM 1483 CG2 ILE A 92 11.250 -22.131 -18.501 1.00 0.11 C ATOM 1484 CD1 ILE A 92 9.239 -19.811 -19.293 1.00 4.00 C ATOM 0 H ILE A 92 11.248 -18.626 -16.597 1.00 72.33 H new ATOM 0 HA ILE A 92 9.534 -20.984 -16.818 1.00 13.31 H new ATOM 0 HB ILE A 92 12.320 -20.406 -17.778 1.00 71.23 H new ATOM 0 HG12 ILE A 92 10.987 -18.693 -18.738 1.00 52.22 H new ATOM 0 HG13 ILE A 92 11.272 -19.895 -19.981 1.00 52.22 H new ATOM 0 HG21 ILE A 92 11.790 -22.188 -19.446 1.00 0.11 H new ATOM 0 HG22 ILE A 92 11.720 -22.794 -17.775 1.00 0.11 H new ATOM 0 HG23 ILE A 92 10.215 -22.436 -18.655 1.00 0.11 H new ATOM 0 HD11 ILE A 92 8.949 -19.090 -20.057 1.00 4.00 H new ATOM 0 HD12 ILE A 92 8.991 -20.817 -19.631 1.00 4.00 H new ATOM 0 HD13 ILE A 92 8.702 -19.597 -18.369 1.00 4.00 H new ATOM 1496 N VAL A 93 10.358 -21.803 -14.533 1.00 43.04 N ATOM 1497 CA VAL A 93 10.832 -22.515 -13.357 1.00 53.15 C ATOM 1498 C VAL A 93 11.190 -23.937 -13.767 1.00 24.50 C ATOM 1499 O VAL A 93 10.349 -24.660 -14.297 1.00 4.34 O ATOM 1500 CB VAL A 93 9.788 -22.532 -12.230 1.00 41.43 C ATOM 1501 CG1 VAL A 93 10.441 -23.062 -10.945 1.00 11.02 C ATOM 1502 CG2 VAL A 93 9.204 -21.148 -11.951 1.00 73.25 C ATOM 0 H VAL A 93 9.349 -21.656 -14.545 1.00 43.04 H new ATOM 0 HA VAL A 93 11.708 -21.997 -12.965 1.00 53.15 H new ATOM 0 HB VAL A 93 8.972 -23.178 -12.553 1.00 41.43 H new ATOM 0 HG11 VAL A 93 9.704 -23.076 -10.142 1.00 11.02 H new ATOM 0 HG12 VAL A 93 10.812 -24.073 -11.115 1.00 11.02 H new ATOM 0 HG13 VAL A 93 11.271 -22.414 -10.665 1.00 11.02 H new ATOM 0 HG21 VAL A 93 8.472 -21.217 -11.146 1.00 73.25 H new ATOM 0 HG22 VAL A 93 10.004 -20.468 -11.657 1.00 73.25 H new ATOM 0 HG23 VAL A 93 8.719 -20.770 -12.851 1.00 73.25 H new ATOM 1512 N LYS A 94 12.444 -24.319 -13.520 1.00 4.31 N ATOM 1513 CA LYS A 94 12.987 -25.607 -13.903 1.00 64.12 C ATOM 1514 C LYS A 94 12.655 -26.614 -12.806 1.00 63.44 C ATOM 1515 O LYS A 94 13.278 -26.587 -11.745 1.00 54.04 O ATOM 1516 CB LYS A 94 14.501 -25.473 -14.118 1.00 43.02 C ATOM 1517 CG LYS A 94 14.807 -24.487 -15.254 1.00 20.24 C ATOM 1518 CD LYS A 94 16.320 -24.389 -15.483 1.00 22.33 C ATOM 1519 CE LYS A 94 16.682 -23.300 -16.500 1.00 41.11 C ATOM 1520 NZ LYS A 94 16.139 -23.585 -17.839 1.00 61.41 N ATOM 0 H LYS A 94 13.118 -23.724 -13.038 1.00 4.31 H new ATOM 0 HA LYS A 94 12.550 -25.957 -14.838 1.00 64.12 H new ATOM 0 HB2 LYS A 94 14.974 -25.132 -13.197 1.00 43.02 H new ATOM 0 HB3 LYS A 94 14.927 -26.448 -14.353 1.00 43.02 H new ATOM 0 HG2 LYS A 94 14.314 -24.813 -16.170 1.00 20.24 H new ATOM 0 HG3 LYS A 94 14.405 -23.504 -15.009 1.00 20.24 H new ATOM 0 HD2 LYS A 94 16.816 -24.179 -14.536 1.00 22.33 H new ATOM 0 HD3 LYS A 94 16.696 -25.350 -15.833 1.00 22.33 H new ATOM 0 HE2 LYS A 94 16.301 -22.340 -16.152 1.00 41.11 H new ATOM 0 HE3 LYS A 94 17.766 -23.209 -16.562 1.00 41.11 H new ATOM 0 HZ1 LYS A 94 16.437 -22.840 -18.500 1.00 61.41 H new ATOM 0 HZ2 LYS A 94 16.495 -24.504 -18.170 1.00 61.41 H new ATOM 0 HZ3 LYS A 94 15.100 -23.612 -17.794 1.00 61.41 H new ATOM 1534 N TRP A 95 11.674 -27.489 -13.068 1.00 41.21 N ATOM 1535 CA TRP A 95 11.331 -28.617 -12.213 1.00 64.33 C ATOM 1536 C TRP A 95 12.591 -29.394 -11.829 1.00 72.43 C ATOM 1537 O TRP A 95 13.201 -30.044 -12.677 1.00 33.11 O ATOM 1538 CB TRP A 95 10.368 -29.560 -12.945 1.00 61.11 C ATOM 1539 CG TRP A 95 10.144 -30.883 -12.272 1.00 24.34 C ATOM 1540 CD1 TRP A 95 9.684 -31.074 -11.015 1.00 64.34 C ATOM 1541 CD2 TRP A 95 10.447 -32.213 -12.783 1.00 20.14 C ATOM 1542 NE1 TRP A 95 9.693 -32.419 -10.708 1.00 42.14 N ATOM 1543 CE2 TRP A 95 10.146 -33.172 -11.773 1.00 64.13 C ATOM 1544 CE3 TRP A 95 10.958 -32.701 -14.002 1.00 35.43 C ATOM 1545 CZ2 TRP A 95 10.333 -34.549 -11.969 1.00 60.43 C ATOM 1546 CZ3 TRP A 95 11.144 -34.082 -14.212 1.00 41.21 C ATOM 1547 CH2 TRP A 95 10.818 -35.006 -13.204 1.00 32.40 C ATOM 0 H TRP A 95 11.088 -27.424 -13.901 1.00 41.21 H new ATOM 0 HA TRP A 95 10.853 -28.231 -11.312 1.00 64.33 H new ATOM 0 HB2 TRP A 95 9.407 -29.059 -13.057 1.00 61.11 H new ATOM 0 HB3 TRP A 95 10.752 -29.740 -13.949 1.00 61.11 H new ATOM 0 HD1 TRP A 95 9.357 -30.289 -10.349 1.00 64.34 H new ATOM 0 HE1 TRP A 95 9.403 -32.807 -9.810 1.00 42.14 H new ATOM 0 HE3 TRP A 95 11.211 -32.005 -14.788 1.00 35.43 H new ATOM 0 HZ2 TRP A 95 10.106 -35.249 -11.178 1.00 60.43 H new ATOM 0 HZ3 TRP A 95 11.540 -34.433 -15.154 1.00 41.21 H new ATOM 0 HH2 TRP A 95 10.940 -36.065 -13.380 1.00 32.40 H new ATOM 1558 N ASP A 96 12.955 -29.340 -10.544 1.00 32.21 N ATOM 1559 CA ASP A 96 14.023 -30.154 -9.994 1.00 41.33 C ATOM 1560 C ASP A 96 13.494 -31.575 -9.813 1.00 3.12 C ATOM 1561 O ASP A 96 12.658 -31.822 -8.946 1.00 54.13 O ATOM 1562 CB ASP A 96 14.508 -29.556 -8.667 1.00 55.33 C ATOM 1563 CG ASP A 96 15.610 -30.398 -8.022 1.00 35.53 C ATOM 1564 OD1 ASP A 96 15.614 -30.459 -6.774 1.00 61.44 O ATOM 1565 OD2 ASP A 96 16.434 -30.953 -8.782 1.00 71.15 O ATOM 0 H ASP A 96 12.511 -28.726 -9.861 1.00 32.21 H new ATOM 0 HA ASP A 96 14.879 -30.177 -10.669 1.00 41.33 H new ATOM 0 HB2 ASP A 96 14.879 -28.546 -8.840 1.00 55.33 H new ATOM 0 HB3 ASP A 96 13.667 -29.473 -7.979 1.00 55.33 H new ATOM 1570 N ARG A 97 13.983 -32.502 -10.642 1.00 25.15 N ATOM 1571 CA ARG A 97 13.657 -33.915 -10.537 1.00 60.22 C ATOM 1572 C ARG A 97 14.337 -34.570 -9.328 1.00 74.43 C ATOM 1573 O ARG A 97 13.815 -35.552 -8.803 1.00 53.13 O ATOM 1574 CB ARG A 97 13.945 -34.639 -11.862 1.00 11.42 C ATOM 1575 CG ARG A 97 15.408 -35.014 -12.136 1.00 72.54 C ATOM 1576 CD ARG A 97 16.345 -33.809 -12.257 1.00 44.35 C ATOM 1577 NE ARG A 97 17.680 -34.232 -12.693 1.00 75.41 N ATOM 1578 CZ ARG A 97 18.795 -33.490 -12.592 1.00 11.03 C ATOM 1579 NH1 ARG A 97 18.759 -32.255 -12.069 1.00 53.34 N ATOM 1580 NH2 ARG A 97 19.961 -33.997 -13.016 1.00 55.51 N ATOM 0 H ARG A 97 14.620 -32.285 -11.408 1.00 25.15 H new ATOM 0 HA ARG A 97 12.586 -34.007 -10.354 1.00 60.22 H new ATOM 0 HB2 ARG A 97 13.349 -35.551 -11.889 1.00 11.42 H new ATOM 0 HB3 ARG A 97 13.597 -34.007 -12.679 1.00 11.42 H new ATOM 0 HG2 ARG A 97 15.764 -35.659 -11.333 1.00 72.54 H new ATOM 0 HG3 ARG A 97 15.458 -35.594 -13.057 1.00 72.54 H new ATOM 0 HD2 ARG A 97 15.934 -33.093 -12.969 1.00 44.35 H new ATOM 0 HD3 ARG A 97 16.415 -33.299 -11.296 1.00 44.35 H new ATOM 0 HE ARG A 97 17.768 -35.161 -13.105 1.00 75.41 H new ATOM 0 HH11 ARG A 97 17.875 -31.866 -11.741 1.00 53.34 H new ATOM 0 HH12 ARG A 97 19.615 -31.705 -12.000 1.00 53.34 H new ATOM 0 HH21 ARG A 97 19.995 -34.937 -13.410 1.00 55.51 H new ATOM 0 HH22 ARG A 97 20.814 -33.443 -12.944 1.00 55.51 H new ATOM 1594 N ASP A 98 15.472 -34.016 -8.873 1.00 44.04 N ATOM 1595 CA ASP A 98 16.210 -34.483 -7.705 1.00 42.11 C ATOM 1596 C ASP A 98 15.756 -33.715 -6.458 1.00 4.30 C ATOM 1597 O ASP A 98 16.584 -33.268 -5.665 1.00 62.14 O ATOM 1598 CB ASP A 98 17.721 -34.310 -7.946 1.00 33.21 C ATOM 1599 CG ASP A 98 18.236 -35.039 -9.187 1.00 11.01 C ATOM 1600 OD1 ASP A 98 19.208 -34.522 -9.779 1.00 21.15 O ATOM 1601 OD2 ASP A 98 17.669 -36.102 -9.520 1.00 64.34 O ATOM 0 H ASP A 98 15.907 -33.211 -9.324 1.00 44.04 H new ATOM 0 HA ASP A 98 16.007 -35.541 -7.542 1.00 42.11 H new ATOM 0 HB2 ASP A 98 17.945 -33.247 -8.041 1.00 33.21 H new ATOM 0 HB3 ASP A 98 18.263 -34.673 -7.072 1.00 33.21 H new ATOM 1606 N MET A 99 14.436 -33.569 -6.284 1.00 15.00 N ATOM 1607 CA MET A 99 13.830 -32.896 -5.144 1.00 51.12 C ATOM 1608 C MET A 99 13.740 -33.863 -3.962 1.00 12.12 C ATOM 1609 O MET A 99 14.078 -33.424 -2.841 1.00 5.12 O ATOM 1610 CB MET A 99 12.450 -32.364 -5.556 1.00 12.25 C ATOM 1611 CG MET A 99 11.716 -31.643 -4.421 1.00 34.24 C ATOM 1612 SD MET A 99 12.538 -30.151 -3.796 1.00 20.21 S ATOM 1613 CE MET A 99 11.460 -29.791 -2.386 1.00 63.53 C ATOM 1614 OXT MET A 99 13.324 -35.020 -4.194 1.00 0.00 O ATOM 0 H MET A 99 13.751 -33.926 -6.950 1.00 15.00 H new ATOM 0 HA MET A 99 14.442 -32.051 -4.829 1.00 51.12 H new ATOM 0 HB2 MET A 99 12.568 -31.679 -6.396 1.00 12.25 H new ATOM 0 HB3 MET A 99 11.837 -33.195 -5.906 1.00 12.25 H new ATOM 0 HG2 MET A 99 10.720 -31.371 -4.769 1.00 34.24 H new ATOM 0 HG3 MET A 99 11.585 -32.340 -3.593 1.00 34.24 H new ATOM 0 HE1 MET A 99 11.816 -28.896 -1.875 1.00 63.53 H new ATOM 0 HE2 MET A 99 10.442 -29.627 -2.739 1.00 63.53 H new ATOM 0 HE3 MET A 99 11.473 -30.633 -1.694 1.00 63.53 H new TER 1624 MET A 99