USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 827 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 43 LYS NZ :NH3+ 145:sc= -1.46! (180deg=-2.31) USER MOD Set 1.2: A 56 HIS : no HD1:sc= -0.53 X(o=-2,f=-2) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.227 X(o=0.23,f=-0.046) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00701 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= -0.0205 (180deg=-0.191) USER MOD Single : A 40 LYS NZ :NH3+ -153:sc= -0.0383 (180deg=-0.416) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= -0.0862 (180deg=-0.508) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 126:sc= 1.27 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.813 X(o=-0.81,f=-0.69) USER MOD Single : A 58 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.69) USER MOD Single : A 60 HIS : no HD1:sc= -0.572 K(o=-0.57,f=-1.2) USER MOD Single : A 62 SER OG : rot 152:sc= 0.00412 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 171:sc= 1.04 (180deg=0.9) USER MOD Single : A 70 TYR OH : rot 180:sc= 0.219 USER MOD Single : A 75 HIS : no HD1:sc= 0.418 K(o=0.42,f=-4.3!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -3.93! K(o=-3.9!,f=-0.72) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot -70:sc= -0.778 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -35:sc= -4.83! USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= -1.44 (180deg=-2.57!) USER MOD Single : A 96 LYS NZ :NH3+ 158:sc= 1.13 (180deg=0.69) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0782 USER MOD Single : A 101 ASN : amide:sc= 0.457 K(o=0.46,f=-0.51) USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -19.660 -8.629 -1.413 1.00 0.70 N ATOM 14 CA ASP A 2 -20.660 -8.104 -2.313 1.00 0.72 C ATOM 15 C ASP A 2 -20.024 -7.509 -3.557 1.00 0.70 C ATOM 16 O ASP A 2 -18.806 -7.375 -3.614 1.00 0.75 O ATOM 17 CB ASP A 2 -21.361 -7.001 -1.574 1.00 0.79 C ATOM 18 CG ASP A 2 -22.395 -7.492 -0.592 1.00 1.04 C ATOM 19 OD1 ASP A 2 -22.038 -7.785 0.564 1.00 1.65 O ATOM 20 OD2 ASP A 2 -23.565 -7.624 -0.996 1.00 1.11 O ATOM 0 HA ASP A 2 -21.334 -8.902 -2.623 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.620 -6.405 -1.041 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.842 -6.341 -2.295 1.00 0.79 H new ATOM 25 N PRO A 3 -20.830 -7.111 -4.560 1.00 0.71 N ATOM 26 CA PRO A 3 -20.332 -6.355 -5.712 1.00 0.72 C ATOM 27 C PRO A 3 -19.840 -4.967 -5.307 1.00 0.66 C ATOM 28 O PRO A 3 -20.583 -3.988 -5.331 1.00 0.97 O ATOM 29 CB PRO A 3 -21.542 -6.247 -6.649 1.00 0.84 C ATOM 30 CG PRO A 3 -22.517 -7.259 -6.151 1.00 0.94 C ATOM 31 CD PRO A 3 -22.271 -7.383 -4.675 1.00 0.81 C ATOM 0 HA PRO A 3 -19.478 -6.846 -6.179 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -21.969 -5.244 -6.626 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -21.259 -6.449 -7.682 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -23.541 -6.944 -6.350 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -22.375 -8.217 -6.652 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.864 -6.668 -4.105 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.526 -8.376 -4.305 1.00 0.81 H new ATOM 39 N ILE A 4 -18.592 -4.918 -4.869 1.00 0.45 N ATOM 40 CA ILE A 4 -17.928 -3.674 -4.505 1.00 0.41 C ATOM 41 C ILE A 4 -16.855 -3.359 -5.530 1.00 0.41 C ATOM 42 O ILE A 4 -16.945 -2.377 -6.265 1.00 0.50 O ATOM 43 CB ILE A 4 -17.301 -3.762 -3.077 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.317 -3.371 -2.004 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.049 -2.897 -2.935 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.389 -4.400 -1.785 1.00 0.46 C ATOM 0 H ILE A 4 -18.006 -5.745 -4.755 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.670 -2.875 -4.492 1.00 0.41 H new ATOM 0 HB ILE A 4 -17.008 -4.802 -2.936 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.792 -3.200 -1.064 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.784 -2.427 -2.285 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.652 -2.994 -1.924 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.297 -3.225 -3.653 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.303 -1.855 -3.126 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.073 -4.054 -1.010 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.940 -4.554 -2.713 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.933 -5.340 -1.473 1.00 0.46 H new ATOM 58 N GLY A 5 -15.855 -4.219 -5.582 1.00 0.36 N ATOM 59 CA GLY A 5 -14.725 -3.971 -6.446 1.00 0.39 C ATOM 60 C GLY A 5 -13.653 -3.319 -5.639 1.00 0.33 C ATOM 61 O GLY A 5 -13.056 -2.326 -6.036 1.00 0.33 O ATOM 0 H GLY A 5 -15.805 -5.083 -5.043 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.362 -4.905 -6.875 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -15.017 -3.330 -7.278 1.00 0.39 H new ATOM 65 N LEU A 6 -13.441 -3.914 -4.481 1.00 0.32 N ATOM 66 CA LEU A 6 -12.669 -3.329 -3.414 1.00 0.29 C ATOM 67 C LEU A 6 -11.271 -2.976 -3.879 1.00 0.29 C ATOM 68 O LEU A 6 -10.789 -1.869 -3.652 1.00 0.33 O ATOM 69 CB LEU A 6 -12.627 -4.327 -2.274 1.00 0.29 C ATOM 70 CG LEU A 6 -12.427 -3.730 -0.901 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.462 -2.657 -0.619 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.488 -4.825 0.126 1.00 0.28 C ATOM 0 H LEU A 6 -13.811 -4.838 -4.256 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.133 -2.399 -3.084 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.558 -4.893 -2.274 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.822 -5.037 -2.464 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.448 -3.253 -0.856 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.296 -2.243 0.376 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.375 -1.863 -1.361 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.460 -3.092 -0.669 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.344 -4.400 1.120 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.460 -5.315 0.078 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.704 -5.555 -0.074 1.00 0.28 H new ATOM 84 N PHE A 7 -10.640 -3.913 -4.549 1.00 0.30 N ATOM 85 CA PHE A 7 -9.320 -3.689 -5.075 1.00 0.32 C ATOM 86 C PHE A 7 -9.417 -3.215 -6.512 1.00 0.29 C ATOM 87 O PHE A 7 -9.363 -3.996 -7.459 1.00 0.32 O ATOM 88 CB PHE A 7 -8.480 -4.952 -4.941 1.00 0.41 C ATOM 89 CG PHE A 7 -7.332 -4.817 -3.974 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.241 -3.726 -3.115 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.344 -5.782 -3.920 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.189 -3.611 -2.226 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.291 -5.672 -3.037 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.212 -4.587 -2.188 1.00 0.61 C ATOM 0 H PHE A 7 -11.024 -4.838 -4.741 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.821 -2.908 -4.501 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.122 -5.772 -4.617 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.088 -5.222 -5.921 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.002 -2.960 -3.143 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.398 -6.635 -4.580 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.131 -2.761 -1.563 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.528 -6.435 -3.010 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.388 -4.501 -1.495 1.00 0.61 H new ATOM 104 N VAL A 8 -9.603 -1.919 -6.636 1.00 0.28 N ATOM 105 CA VAL A 8 -9.738 -1.262 -7.924 1.00 0.34 C ATOM 106 C VAL A 8 -8.400 -1.286 -8.656 1.00 0.44 C ATOM 107 O VAL A 8 -8.336 -1.406 -9.876 1.00 0.63 O ATOM 108 CB VAL A 8 -10.212 0.192 -7.733 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.555 0.840 -9.066 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.399 0.245 -6.778 1.00 0.33 C ATOM 0 H VAL A 8 -9.666 -1.283 -5.841 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.480 -1.794 -8.519 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.392 0.760 -7.293 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.886 1.865 -8.898 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.673 0.844 -9.706 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.352 0.276 -9.550 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.721 1.279 -6.655 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.220 -0.344 -7.185 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.106 -0.162 -5.810 1.00 0.33 H new ATOM 120 N MET A 9 -7.337 -1.166 -7.879 1.00 0.43 N ATOM 121 CA MET A 9 -5.982 -1.327 -8.372 1.00 0.65 C ATOM 122 C MET A 9 -5.075 -1.652 -7.216 1.00 0.44 C ATOM 123 O MET A 9 -5.111 -0.986 -6.182 1.00 0.44 O ATOM 124 CB MET A 9 -5.483 -0.081 -9.093 1.00 1.05 C ATOM 125 CG MET A 9 -4.042 -0.198 -9.551 1.00 1.45 C ATOM 126 SD MET A 9 -3.838 -1.377 -10.897 1.00 2.35 S ATOM 127 CE MET A 9 -2.061 -1.339 -11.118 1.00 2.88 C ATOM 0 H MET A 9 -7.391 -0.953 -6.883 1.00 0.43 H new ATOM 0 HA MET A 9 -5.978 -2.141 -9.097 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.119 0.111 -9.957 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.579 0.779 -8.430 1.00 1.05 H new ATOM 0 HG2 MET A 9 -3.686 0.781 -9.873 1.00 1.45 H new ATOM 0 HG3 MET A 9 -3.420 -0.502 -8.709 1.00 1.45 H new ATOM 0 HE1 MET A 9 -1.780 -2.021 -11.921 1.00 2.88 H new ATOM 0 HE2 MET A 9 -1.748 -0.327 -11.375 1.00 2.88 H new ATOM 0 HE3 MET A 9 -1.573 -1.646 -10.193 1.00 2.88 H new ATOM 137 N ARG A 10 -4.279 -2.676 -7.385 1.00 0.47 N ATOM 138 CA ARG A 10 -3.399 -3.116 -6.330 1.00 0.41 C ATOM 139 C ARG A 10 -1.956 -2.797 -6.683 1.00 0.39 C ATOM 140 O ARG A 10 -1.510 -3.034 -7.808 1.00 0.45 O ATOM 141 CB ARG A 10 -3.595 -4.606 -6.034 1.00 0.46 C ATOM 142 CG ARG A 10 -3.199 -5.558 -7.151 1.00 0.97 C ATOM 143 CD ARG A 10 -3.485 -6.996 -6.751 1.00 1.34 C ATOM 144 NE ARG A 10 -2.841 -7.957 -7.643 1.00 2.11 N ATOM 145 CZ ARG A 10 -2.917 -9.281 -7.501 1.00 2.72 C ATOM 146 NH1 ARG A 10 -3.635 -9.816 -6.518 1.00 2.74 N ATOM 147 NH2 ARG A 10 -2.281 -10.071 -8.349 1.00 3.67 N ATOM 0 H ARG A 10 -4.221 -3.223 -8.244 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.650 -2.574 -5.418 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -3.019 -4.860 -5.144 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.645 -4.775 -5.793 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -3.748 -5.311 -8.059 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -2.139 -5.441 -7.378 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -3.140 -7.163 -5.731 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -4.562 -7.165 -6.755 1.00 1.34 H new ATOM 0 HE ARG A 10 -2.298 -7.592 -8.425 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -4.134 -9.213 -5.864 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -3.687 -10.830 -6.418 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -1.734 -9.668 -9.109 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -2.337 -11.084 -8.243 1.00 3.67 H new ATOM 161 N PRO A 11 -1.219 -2.226 -5.724 1.00 0.43 N ATOM 162 CA PRO A 11 0.159 -1.801 -5.937 1.00 0.50 C ATOM 163 C PRO A 11 1.076 -2.976 -6.245 1.00 0.47 C ATOM 164 O PRO A 11 0.771 -4.123 -5.912 1.00 0.54 O ATOM 165 CB PRO A 11 0.569 -1.128 -4.625 1.00 0.62 C ATOM 166 CG PRO A 11 -0.482 -1.464 -3.626 1.00 0.64 C ATOM 167 CD PRO A 11 -1.694 -1.958 -4.361 1.00 0.53 C ATOM 0 HA PRO A 11 0.239 -1.133 -6.795 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.545 -1.485 -4.295 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.651 -0.049 -4.753 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.120 -2.226 -2.936 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.732 -0.587 -3.029 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -2.098 -2.858 -3.898 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.490 -1.213 -4.358 1.00 0.53 H new ATOM 175 N GLN A 12 2.191 -2.683 -6.888 1.00 0.44 N ATOM 176 CA GLN A 12 3.092 -3.698 -7.379 1.00 0.43 C ATOM 177 C GLN A 12 4.470 -3.523 -6.771 1.00 0.37 C ATOM 178 O GLN A 12 4.706 -2.558 -6.054 1.00 0.40 O ATOM 179 CB GLN A 12 3.155 -3.576 -8.892 1.00 0.55 C ATOM 180 CG GLN A 12 1.817 -3.829 -9.563 1.00 0.73 C ATOM 181 CD GLN A 12 1.379 -5.281 -9.459 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.644 -6.084 -10.352 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.739 -5.643 -8.354 1.00 1.32 N ATOM 0 H GLN A 12 2.495 -1.729 -7.083 1.00 0.44 H new ATOM 0 HA GLN A 12 2.733 -4.688 -7.098 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.505 -2.578 -9.156 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.889 -4.284 -9.278 1.00 0.55 H new ATOM 0 HG2 GLN A 12 1.060 -3.191 -9.108 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.882 -3.547 -10.614 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.535 -4.951 -7.633 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.451 -6.613 -8.226 1.00 1.32 H new ATOM 192 N ASP A 13 5.364 -4.465 -7.048 1.00 0.34 N ATOM 193 CA ASP A 13 6.688 -4.469 -6.547 1.00 0.33 C ATOM 194 C ASP A 13 7.520 -3.349 -7.136 1.00 0.36 C ATOM 195 O ASP A 13 7.058 -2.235 -7.395 1.00 0.50 O ATOM 196 CB ASP A 13 7.285 -5.817 -6.944 1.00 0.35 C ATOM 197 CG ASP A 13 7.112 -6.125 -8.422 1.00 1.04 C ATOM 198 OD1 ASP A 13 5.984 -6.459 -8.833 1.00 1.03 O ATOM 199 OD2 ASP A 13 8.110 -6.045 -9.167 1.00 2.06 O ATOM 0 H ASP A 13 5.157 -5.263 -7.649 1.00 0.34 H new ATOM 0 HA ASP A 13 6.682 -4.318 -5.468 1.00 0.33 H new ATOM 0 HB2 ASP A 13 8.347 -5.826 -6.698 1.00 0.35 H new ATOM 0 HB3 ASP A 13 6.815 -6.605 -6.356 1.00 0.35 H new ATOM 204 N GLY A 14 8.752 -3.686 -7.363 1.00 0.30 N ATOM 205 CA GLY A 14 9.712 -2.739 -7.826 1.00 0.30 C ATOM 206 C GLY A 14 11.099 -3.065 -7.356 1.00 0.25 C ATOM 207 O GLY A 14 11.325 -3.437 -6.205 1.00 0.28 O ATOM 0 H GLY A 14 9.119 -4.629 -7.231 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.696 -2.711 -8.916 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.436 -1.744 -7.477 1.00 0.30 H new ATOM 211 N GLU A 15 12.018 -2.927 -8.262 1.00 0.26 N ATOM 212 CA GLU A 15 13.430 -3.075 -7.967 1.00 0.25 C ATOM 213 C GLU A 15 14.083 -1.719 -8.070 1.00 0.23 C ATOM 214 O GLU A 15 14.110 -1.120 -9.143 1.00 0.30 O ATOM 215 CB GLU A 15 14.124 -4.035 -8.935 1.00 0.33 C ATOM 216 CG GLU A 15 13.660 -5.478 -8.852 1.00 0.69 C ATOM 217 CD GLU A 15 14.613 -6.408 -9.573 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.591 -6.853 -8.943 1.00 1.48 O ATOM 219 OE2 GLU A 15 14.412 -6.670 -10.779 1.00 1.53 O ATOM 0 H GLU A 15 11.819 -2.707 -9.238 1.00 0.26 H new ATOM 0 HA GLU A 15 13.527 -3.489 -6.963 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.967 -3.677 -9.953 1.00 0.33 H new ATOM 0 HB3 GLU A 15 15.197 -4.003 -8.747 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.580 -5.776 -7.807 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.664 -5.567 -9.286 1.00 0.69 H new ATOM 226 N VAL A 16 14.595 -1.221 -6.965 1.00 0.20 N ATOM 227 CA VAL A 16 15.108 0.079 -6.911 1.00 0.21 C ATOM 228 C VAL A 16 16.420 0.003 -6.184 1.00 0.22 C ATOM 229 O VAL A 16 16.669 -0.916 -5.419 1.00 0.27 O ATOM 230 CB VAL A 16 14.143 1.032 -6.187 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.702 0.777 -6.609 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.299 0.952 -4.674 1.00 0.23 C ATOM 0 H VAL A 16 14.655 -1.733 -6.085 1.00 0.20 H new ATOM 0 HA VAL A 16 15.241 0.475 -7.918 1.00 0.21 H new ATOM 0 HB VAL A 16 14.404 2.048 -6.484 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.041 1.465 -6.082 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.605 0.932 -7.683 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.427 -0.249 -6.364 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.600 1.640 -4.199 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.091 -0.064 -4.340 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.318 1.223 -4.398 1.00 0.23 H new ATOM 242 N THR A 17 17.240 0.945 -6.449 1.00 0.23 N ATOM 243 CA THR A 17 18.550 1.021 -5.846 1.00 0.27 C ATOM 244 C THR A 17 18.451 1.810 -4.551 1.00 0.28 C ATOM 245 O THR A 17 17.508 2.589 -4.369 1.00 0.28 O ATOM 246 CB THR A 17 19.538 1.722 -6.788 1.00 0.35 C ATOM 247 OG1 THR A 17 19.089 1.587 -8.145 1.00 0.77 O ATOM 248 CG2 THR A 17 20.934 1.132 -6.653 1.00 0.56 C ATOM 0 H THR A 17 17.036 1.705 -7.098 1.00 0.23 H new ATOM 0 HA THR A 17 18.909 0.011 -5.650 1.00 0.27 H new ATOM 0 HB THR A 17 19.582 2.776 -6.515 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.720 2.037 -8.745 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.614 1.647 -7.332 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.283 1.254 -5.628 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.906 0.071 -6.903 1.00 0.56 H new ATOM 256 N VAL A 18 19.395 1.603 -3.651 1.00 0.31 N ATOM 257 CA VAL A 18 19.462 2.402 -2.455 1.00 0.35 C ATOM 258 C VAL A 18 19.827 3.794 -2.847 1.00 0.36 C ATOM 259 O VAL A 18 20.955 4.107 -3.222 1.00 0.39 O ATOM 260 CB VAL A 18 20.499 1.948 -1.437 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.345 2.731 -0.144 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.425 0.462 -1.174 1.00 0.78 C ATOM 0 H VAL A 18 20.120 0.890 -3.730 1.00 0.31 H new ATOM 0 HA VAL A 18 18.484 2.313 -1.982 1.00 0.35 H new ATOM 0 HB VAL A 18 21.484 2.149 -1.859 1.00 0.44 H new ATOM 0 HG11 VAL A 18 21.093 2.396 0.575 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.483 3.794 -0.343 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.348 2.565 0.265 1.00 0.76 H new ATOM 0 HG21 VAL A 18 21.183 0.184 -0.442 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.437 0.210 -0.788 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.601 -0.081 -2.103 1.00 0.78 H new ATOM 272 N GLY A 19 18.842 4.584 -2.772 1.00 0.38 N ATOM 273 CA GLY A 19 18.986 5.993 -3.030 1.00 0.45 C ATOM 274 C GLY A 19 18.114 6.479 -4.164 1.00 0.40 C ATOM 275 O GLY A 19 18.306 7.599 -4.649 1.00 0.48 O ATOM 0 H GLY A 19 17.895 4.293 -2.530 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.739 6.549 -2.126 1.00 0.45 H new ATOM 0 HA3 GLY A 19 20.029 6.209 -3.263 1.00 0.45 H new ATOM 279 N GLY A 20 17.171 5.658 -4.629 1.00 0.32 N ATOM 280 CA GLY A 20 16.229 6.146 -5.567 1.00 0.32 C ATOM 281 C GLY A 20 14.926 6.384 -4.916 1.00 0.30 C ATOM 282 O GLY A 20 14.804 7.078 -3.914 1.00 0.44 O ATOM 0 H GLY A 20 17.061 4.679 -4.364 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.595 7.072 -6.010 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.111 5.429 -6.379 1.00 0.32 H new ATOM 286 N SER A 21 13.967 5.799 -5.510 1.00 0.24 N ATOM 287 CA SER A 21 12.639 5.843 -5.062 1.00 0.22 C ATOM 288 C SER A 21 11.902 4.600 -5.470 1.00 0.22 C ATOM 289 O SER A 21 12.385 3.777 -6.242 1.00 0.25 O ATOM 290 CB SER A 21 11.961 7.051 -5.636 1.00 0.30 C ATOM 291 OG SER A 21 12.162 7.151 -7.034 1.00 0.82 O ATOM 0 H SER A 21 14.092 5.251 -6.361 1.00 0.24 H new ATOM 0 HA SER A 21 12.634 5.903 -3.974 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.893 7.003 -5.425 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.343 7.948 -5.149 1.00 0.30 H new ATOM 0 HG SER A 21 11.705 7.948 -7.374 1.00 0.82 H new ATOM 297 N ILE A 22 10.743 4.503 -4.919 1.00 0.22 N ATOM 298 CA ILE A 22 9.767 3.543 -5.249 1.00 0.24 C ATOM 299 C ILE A 22 8.426 4.184 -5.019 1.00 0.25 C ATOM 300 O ILE A 22 8.259 5.101 -4.223 1.00 0.27 O ATOM 301 CB ILE A 22 9.905 2.248 -4.450 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.924 1.196 -4.945 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.730 2.473 -2.961 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.163 0.746 -6.370 1.00 0.32 C ATOM 0 H ILE A 22 10.439 5.136 -4.179 1.00 0.22 H new ATOM 0 HA ILE A 22 9.891 3.245 -6.290 1.00 0.24 H new ATOM 0 HB ILE A 22 10.920 1.885 -4.610 1.00 0.25 H new ATOM 0 HG12 ILE A 22 8.977 0.328 -4.288 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.912 1.593 -4.866 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.837 1.524 -2.435 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.488 3.172 -2.607 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.739 2.885 -2.769 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.421 -0.004 -6.644 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.079 1.601 -7.041 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.161 0.316 -6.453 1.00 0.32 H new ATOM 316 N THR A 23 7.509 3.748 -5.762 1.00 0.25 N ATOM 317 CA THR A 23 6.185 4.324 -5.730 1.00 0.23 C ATOM 318 C THR A 23 5.136 3.247 -5.802 1.00 0.24 C ATOM 319 O THR A 23 5.179 2.362 -6.652 1.00 0.28 O ATOM 320 CB THR A 23 5.949 5.339 -6.856 1.00 0.26 C ATOM 321 OG1 THR A 23 7.069 6.230 -6.950 1.00 0.31 O ATOM 322 CG2 THR A 23 4.682 6.142 -6.579 1.00 0.24 C ATOM 0 H THR A 23 7.623 2.980 -6.423 1.00 0.25 H new ATOM 0 HA THR A 23 6.107 4.858 -4.783 1.00 0.23 H new ATOM 0 HB THR A 23 5.834 4.801 -7.797 1.00 0.26 H new ATOM 0 HG1 THR A 23 6.914 6.875 -7.671 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.523 6.860 -7.384 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.828 5.467 -6.521 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.788 6.674 -5.634 1.00 0.24 H new ATOM 330 N PHE A 24 4.208 3.336 -4.889 1.00 0.24 N ATOM 331 CA PHE A 24 3.114 2.410 -4.818 1.00 0.27 C ATOM 332 C PHE A 24 1.800 3.163 -4.848 1.00 0.24 C ATOM 333 O PHE A 24 1.678 4.247 -4.285 1.00 0.30 O ATOM 334 CB PHE A 24 3.202 1.595 -3.538 1.00 0.40 C ATOM 335 CG PHE A 24 4.485 0.826 -3.384 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.964 0.027 -4.410 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.207 0.894 -2.207 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.140 -0.682 -4.263 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.383 0.186 -2.055 1.00 0.51 C ATOM 340 CZ PHE A 24 6.851 -0.602 -3.085 1.00 0.49 C ATOM 0 H PHE A 24 4.191 4.058 -4.169 1.00 0.24 H new ATOM 0 HA PHE A 24 3.166 1.738 -5.675 1.00 0.27 H new ATOM 0 HB2 PHE A 24 3.088 2.265 -2.686 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.366 0.896 -3.508 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.411 -0.042 -5.335 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.847 1.509 -1.396 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.503 -1.299 -5.071 1.00 0.53 H new ATOM 0 HE2 PHE A 24 6.936 0.250 -1.129 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.772 -1.155 -2.969 1.00 0.49 H new ATOM 350 N SER A 25 0.838 2.589 -5.519 1.00 0.28 N ATOM 351 CA SER A 25 -0.493 3.135 -5.586 1.00 0.28 C ATOM 352 C SER A 25 -1.524 2.044 -5.372 1.00 0.27 C ATOM 353 O SER A 25 -1.587 1.052 -6.099 1.00 0.31 O ATOM 354 CB SER A 25 -0.726 3.830 -6.919 1.00 0.35 C ATOM 355 OG SER A 25 0.365 3.618 -7.803 1.00 0.58 O ATOM 0 H SER A 25 0.956 1.720 -6.040 1.00 0.28 H new ATOM 0 HA SER A 25 -0.598 3.875 -4.792 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.644 3.456 -7.372 1.00 0.35 H new ATOM 0 HB3 SER A 25 -0.864 4.899 -6.756 1.00 0.35 H new ATOM 0 HG SER A 25 0.190 4.073 -8.653 1.00 0.58 H new ATOM 361 N ALA A 26 -2.317 2.252 -4.359 1.00 0.26 N ATOM 362 CA ALA A 26 -3.352 1.312 -3.952 1.00 0.26 C ATOM 363 C ALA A 26 -4.728 1.961 -4.046 1.00 0.22 C ATOM 364 O ALA A 26 -5.022 2.924 -3.339 1.00 0.25 O ATOM 365 CB ALA A 26 -3.085 0.825 -2.531 1.00 0.32 C ATOM 0 H ALA A 26 -2.271 3.088 -3.777 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.333 0.455 -4.625 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.864 0.122 -2.235 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.115 0.329 -2.493 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.085 1.675 -1.849 1.00 0.32 H new ATOM 371 N ARG A 27 -5.568 1.436 -4.922 1.00 0.22 N ATOM 372 CA ARG A 27 -6.900 1.986 -5.129 1.00 0.25 C ATOM 373 C ARG A 27 -7.956 1.098 -4.487 1.00 0.23 C ATOM 374 O ARG A 27 -8.056 -0.088 -4.810 1.00 0.31 O ATOM 375 CB ARG A 27 -7.204 2.124 -6.621 1.00 0.36 C ATOM 376 CG ARG A 27 -6.358 3.154 -7.351 1.00 0.28 C ATOM 377 CD ARG A 27 -6.751 3.213 -8.821 1.00 0.46 C ATOM 378 NE ARG A 27 -5.996 4.217 -9.565 1.00 1.22 N ATOM 379 CZ ARG A 27 -5.753 4.140 -10.872 1.00 1.55 C ATOM 380 NH1 ARG A 27 -6.234 3.126 -11.586 1.00 1.46 N ATOM 381 NH2 ARG A 27 -5.052 5.090 -11.474 1.00 2.43 N ATOM 0 H ARG A 27 -5.351 0.627 -5.504 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.925 2.971 -4.663 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.062 1.154 -7.098 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.255 2.387 -6.741 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.490 4.134 -6.892 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.302 2.899 -7.260 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -6.593 2.235 -9.275 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.816 3.432 -8.900 1.00 0.46 H new ATOM 0 HE ARG A 27 -5.634 5.023 -9.055 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -6.792 2.402 -11.133 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -6.045 3.072 -12.587 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -4.698 5.881 -10.936 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -4.866 5.030 -12.475 1.00 2.43 H new ATOM 395 N VAL A 28 -8.748 1.670 -3.587 1.00 0.19 N ATOM 396 CA VAL A 28 -9.793 0.935 -2.928 1.00 0.20 C ATOM 397 C VAL A 28 -11.112 1.643 -3.099 1.00 0.23 C ATOM 398 O VAL A 28 -11.249 2.844 -2.848 1.00 0.24 O ATOM 399 CB VAL A 28 -9.532 0.742 -1.430 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.487 -0.300 -0.859 1.00 0.26 C ATOM 401 CG2 VAL A 28 -8.084 0.358 -1.196 1.00 0.23 C ATOM 0 H VAL A 28 -8.676 2.647 -3.304 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.818 -0.050 -3.395 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.716 1.682 -0.910 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.292 -0.428 0.206 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.515 0.032 -1.002 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.338 -1.250 -1.372 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.911 0.224 -0.128 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.865 -0.573 -1.719 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.433 1.147 -1.573 1.00 0.23 H new ATOM 411 N ALA A 29 -12.045 0.879 -3.573 1.00 0.29 N ATOM 412 CA ALA A 29 -13.402 1.311 -3.773 1.00 0.32 C ATOM 413 C ALA A 29 -14.022 1.796 -2.483 1.00 0.34 C ATOM 414 O ALA A 29 -14.213 1.038 -1.531 1.00 0.40 O ATOM 415 CB ALA A 29 -14.228 0.179 -4.355 1.00 0.38 C ATOM 0 H ALA A 29 -11.884 -0.092 -3.841 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.389 2.146 -4.474 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.254 0.516 -4.503 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.805 -0.126 -5.312 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.220 -0.668 -3.669 1.00 0.38 H new ATOM 421 N GLY A 30 -14.307 3.078 -2.469 1.00 0.35 N ATOM 422 CA GLY A 30 -15.112 3.661 -1.418 1.00 0.42 C ATOM 423 C GLY A 30 -16.467 2.991 -1.346 1.00 0.50 C ATOM 424 O GLY A 30 -17.099 2.963 -0.298 1.00 0.76 O ATOM 0 H GLY A 30 -13.992 3.741 -3.177 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.599 3.559 -0.462 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.238 4.728 -1.600 1.00 0.42 H new ATOM 428 N ALA A 31 -16.910 2.502 -2.507 1.00 0.49 N ATOM 429 CA ALA A 31 -18.030 1.569 -2.628 1.00 0.55 C ATOM 430 C ALA A 31 -19.317 2.020 -1.942 1.00 0.64 C ATOM 431 O ALA A 31 -19.499 3.189 -1.608 1.00 0.71 O ATOM 432 CB ALA A 31 -17.593 0.238 -2.061 1.00 0.58 C ATOM 0 H ALA A 31 -16.492 2.748 -3.404 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.277 1.508 -3.688 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.412 -0.477 -2.139 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -16.734 -0.131 -2.621 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.318 0.361 -1.014 1.00 0.58 H new ATOM 438 N SER A 32 -20.229 1.071 -1.811 1.00 0.85 N ATOM 439 CA SER A 32 -21.421 1.226 -1.007 1.00 0.96 C ATOM 440 C SER A 32 -21.392 0.131 0.051 1.00 1.01 C ATOM 441 O SER A 32 -21.569 -1.052 -0.263 1.00 1.69 O ATOM 442 CB SER A 32 -22.675 1.120 -1.881 1.00 1.19 C ATOM 443 OG SER A 32 -23.839 1.482 -1.161 1.00 1.74 O ATOM 0 H SER A 32 -20.158 0.162 -2.267 1.00 0.85 H new ATOM 0 HA SER A 32 -21.448 2.208 -0.534 1.00 0.96 H new ATOM 0 HB2 SER A 32 -22.569 1.766 -2.752 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.777 0.100 -2.251 1.00 1.19 H new ATOM 0 HG SER A 32 -24.622 1.406 -1.745 1.00 1.74 H new ATOM 449 N LEU A 33 -21.135 0.517 1.290 1.00 0.96 N ATOM 450 CA LEU A 33 -20.773 -0.433 2.314 1.00 0.93 C ATOM 451 C LEU A 33 -21.352 -0.089 3.677 1.00 0.90 C ATOM 452 O LEU A 33 -22.005 0.941 3.850 1.00 0.98 O ATOM 453 CB LEU A 33 -19.242 -0.597 2.388 1.00 0.99 C ATOM 454 CG LEU A 33 -18.332 0.610 2.731 1.00 1.26 C ATOM 455 CD1 LEU A 33 -17.282 0.750 1.656 1.00 2.16 C ATOM 456 CD2 LEU A 33 -19.063 1.933 2.914 1.00 1.95 C ATOM 0 H LEU A 33 -21.172 1.486 1.606 1.00 0.96 H new ATOM 0 HA LEU A 33 -21.216 -1.387 2.026 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -19.038 -1.372 3.126 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.914 -0.982 1.423 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.888 0.391 3.702 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -16.636 1.597 1.887 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -16.685 -0.161 1.610 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -17.766 0.915 0.694 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -18.343 2.717 3.151 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -19.588 2.189 1.994 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -19.782 1.842 3.728 1.00 1.95 H new ATOM 468 N LEU A 34 -21.111 -0.974 4.638 1.00 0.87 N ATOM 469 CA LEU A 34 -21.543 -0.752 6.006 1.00 0.89 C ATOM 470 C LEU A 34 -20.704 0.356 6.610 1.00 0.84 C ATOM 471 O LEU A 34 -21.179 1.471 6.815 1.00 0.95 O ATOM 472 CB LEU A 34 -21.396 -2.024 6.834 1.00 1.01 C ATOM 473 CG LEU A 34 -21.982 -1.932 8.235 1.00 1.22 C ATOM 474 CD1 LEU A 34 -23.497 -2.061 8.194 1.00 1.45 C ATOM 475 CD2 LEU A 34 -21.361 -2.981 9.140 1.00 1.47 C ATOM 0 H LEU A 34 -20.617 -1.854 4.490 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.595 -0.468 6.007 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.878 -2.846 6.305 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -20.338 -2.273 6.911 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.745 -0.951 8.648 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.896 -1.993 9.206 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.914 -1.259 7.585 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.769 -3.024 7.762 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.791 -2.901 10.138 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -21.561 -3.974 8.737 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -20.284 -2.822 9.195 1.00 1.47 H new ATOM 487 N LYS A 35 -19.449 0.043 6.872 1.00 0.76 N ATOM 488 CA LYS A 35 -18.488 1.045 7.274 1.00 0.76 C ATOM 489 C LYS A 35 -17.394 1.140 6.226 1.00 0.65 C ATOM 490 O LYS A 35 -17.103 0.147 5.551 1.00 0.75 O ATOM 491 CB LYS A 35 -17.915 0.752 8.679 1.00 0.90 C ATOM 492 CG LYS A 35 -17.456 -0.687 8.940 1.00 0.92 C ATOM 493 CD LYS A 35 -16.140 -1.021 8.241 1.00 0.90 C ATOM 494 CE LYS A 35 -15.486 -2.277 8.814 1.00 1.00 C ATOM 495 NZ LYS A 35 -14.973 -2.063 10.197 1.00 1.40 N ATOM 0 H LYS A 35 -19.073 -0.903 6.812 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.990 2.010 7.344 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -17.068 1.417 8.848 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.674 1.008 9.418 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -17.341 -0.839 10.013 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -18.228 -1.378 8.601 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -16.322 -1.162 7.176 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -15.454 -0.179 8.339 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -16.210 -3.092 8.819 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.664 -2.584 8.167 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -14.325 -2.836 10.450 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -14.466 -1.156 10.243 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.770 -2.047 10.864 1.00 1.40 H new ATOM 509 N PRO A 36 -16.814 2.342 6.038 1.00 0.65 N ATOM 510 CA PRO A 36 -15.733 2.561 5.075 1.00 0.56 C ATOM 511 C PRO A 36 -14.658 1.490 5.179 1.00 0.45 C ATOM 512 O PRO A 36 -14.339 1.030 6.276 1.00 0.47 O ATOM 513 CB PRO A 36 -15.178 3.924 5.474 1.00 0.61 C ATOM 514 CG PRO A 36 -16.338 4.638 6.069 1.00 0.88 C ATOM 515 CD PRO A 36 -17.176 3.586 6.748 1.00 0.88 C ATOM 0 HA PRO A 36 -16.080 2.519 4.043 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -14.362 3.826 6.190 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.782 4.460 4.611 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -16.006 5.392 6.783 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.912 5.157 5.301 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.951 3.520 7.813 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -18.241 3.803 6.660 1.00 0.88 H new ATOM 523 N PRO A 37 -14.081 1.072 4.050 1.00 0.40 N ATOM 524 CA PRO A 37 -13.147 -0.045 4.030 1.00 0.35 C ATOM 525 C PRO A 37 -11.919 0.235 4.852 1.00 0.32 C ATOM 526 O PRO A 37 -11.376 1.340 4.842 1.00 0.36 O ATOM 527 CB PRO A 37 -12.760 -0.196 2.569 1.00 0.40 C ATOM 528 CG PRO A 37 -13.836 0.532 1.820 1.00 0.53 C ATOM 529 CD PRO A 37 -14.259 1.657 2.715 1.00 0.47 C ATOM 0 HA PRO A 37 -13.599 -0.943 4.452 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.778 0.234 2.372 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.713 -1.245 2.277 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -13.464 0.908 0.867 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -14.674 -0.128 1.597 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.642 2.544 2.573 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -15.292 1.955 2.535 1.00 0.47 H new ATOM 537 N VAL A 38 -11.491 -0.774 5.554 1.00 0.29 N ATOM 538 CA VAL A 38 -10.314 -0.672 6.351 1.00 0.27 C ATOM 539 C VAL A 38 -9.212 -1.313 5.577 1.00 0.22 C ATOM 540 O VAL A 38 -9.117 -2.530 5.461 1.00 0.20 O ATOM 541 CB VAL A 38 -10.413 -1.387 7.697 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.454 -0.771 8.712 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.842 -1.410 8.218 1.00 0.77 C ATOM 0 H VAL A 38 -11.949 -1.685 5.587 1.00 0.29 H new ATOM 0 HA VAL A 38 -10.149 0.384 6.565 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.115 -2.424 7.544 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.543 -1.297 9.662 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.431 -0.856 8.344 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.702 0.281 8.855 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.871 -1.927 9.177 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -12.199 -0.388 8.346 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.481 -1.931 7.505 1.00 0.77 H new ATOM 553 N VAL A 39 -8.416 -0.474 5.044 1.00 0.22 N ATOM 554 CA VAL A 39 -7.259 -0.883 4.327 1.00 0.21 C ATOM 555 C VAL A 39 -6.072 -0.596 5.187 1.00 0.20 C ATOM 556 O VAL A 39 -5.756 0.551 5.489 1.00 0.23 O ATOM 557 CB VAL A 39 -7.042 -0.111 3.027 1.00 0.24 C ATOM 558 CG1 VAL A 39 -6.189 -0.918 2.063 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.356 0.313 2.405 1.00 0.24 C ATOM 0 H VAL A 39 -8.545 0.537 5.089 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.390 -1.937 4.082 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.499 0.805 3.262 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -6.045 -0.352 1.143 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -5.220 -1.123 2.518 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.689 -1.859 1.835 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -8.162 0.860 1.482 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.956 -0.570 2.185 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.897 0.955 3.100 1.00 0.24 H new ATOM 569 N LYS A 40 -5.431 -1.629 5.566 1.00 0.19 N ATOM 570 CA LYS A 40 -4.231 -1.517 6.303 1.00 0.20 C ATOM 571 C LYS A 40 -3.074 -1.940 5.466 1.00 0.19 C ATOM 572 O LYS A 40 -3.067 -2.986 4.809 1.00 0.21 O ATOM 573 CB LYS A 40 -4.288 -2.311 7.586 1.00 0.26 C ATOM 574 CG LYS A 40 -4.701 -3.760 7.412 1.00 0.31 C ATOM 575 CD LYS A 40 -3.492 -4.687 7.281 1.00 0.37 C ATOM 576 CE LYS A 40 -3.519 -5.779 8.338 1.00 0.86 C ATOM 577 NZ LYS A 40 -3.522 -5.216 9.713 1.00 1.54 N ATOM 0 H LYS A 40 -5.724 -2.587 5.374 1.00 0.19 H new ATOM 0 HA LYS A 40 -4.101 -0.470 6.578 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.307 -2.281 8.061 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.987 -1.827 8.267 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -5.305 -4.070 8.265 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.328 -3.855 6.526 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.482 -5.138 6.289 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.574 -4.107 7.377 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -4.404 -6.399 8.197 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.652 -6.428 8.213 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -3.094 -5.900 10.369 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -2.974 -4.332 9.727 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -4.501 -5.021 10.006 1.00 1.54 H new ATOM 591 N TRP A 41 -2.146 -1.062 5.448 1.00 0.18 N ATOM 592 CA TRP A 41 -0.899 -1.285 4.793 1.00 0.19 C ATOM 593 C TRP A 41 0.071 -2.029 5.670 1.00 0.21 C ATOM 594 O TRP A 41 0.007 -1.987 6.901 1.00 0.28 O ATOM 595 CB TRP A 41 -0.284 0.033 4.396 1.00 0.21 C ATOM 596 CG TRP A 41 -0.958 0.651 3.239 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.114 1.366 3.254 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.525 0.590 1.888 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.405 1.790 1.984 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.451 1.312 1.130 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.565 -0.001 1.245 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.326 1.460 -0.237 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.685 0.145 -0.121 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.263 0.873 -0.849 1.00 0.33 C ATOM 0 H TRP A 41 -2.225 -0.148 5.894 1.00 0.18 H new ATOM 0 HA TRP A 41 -1.101 -1.892 3.911 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.325 0.718 5.243 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.769 -0.119 4.159 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.711 1.569 4.131 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.203 2.368 1.719 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.299 -0.561 1.806 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.051 2.025 -0.804 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.520 -0.308 -0.635 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.148 0.971 -1.918 1.00 0.33 H new ATOM 615 N PHE A 42 0.981 -2.678 5.004 1.00 0.21 N ATOM 616 CA PHE A 42 2.110 -3.289 5.634 1.00 0.23 C ATOM 617 C PHE A 42 3.291 -2.831 4.827 1.00 0.26 C ATOM 618 O PHE A 42 3.183 -2.676 3.617 1.00 0.34 O ATOM 619 CB PHE A 42 2.000 -4.817 5.648 1.00 0.26 C ATOM 620 CG PHE A 42 2.967 -5.491 6.590 1.00 0.30 C ATOM 621 CD1 PHE A 42 2.664 -5.652 7.935 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.185 -5.962 6.123 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.558 -6.270 8.791 1.00 0.62 C ATOM 624 CE2 PHE A 42 5.083 -6.579 6.977 1.00 0.50 C ATOM 625 CZ PHE A 42 4.737 -6.734 8.342 1.00 0.60 C ATOM 0 H PHE A 42 0.957 -2.798 3.991 1.00 0.21 H new ATOM 0 HA PHE A 42 2.191 -3.002 6.682 1.00 0.23 H new ATOM 0 HB2 PHE A 42 0.984 -5.096 5.926 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.169 -5.193 4.639 1.00 0.26 H new ATOM 0 HD1 PHE A 42 1.721 -5.291 8.317 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.436 -5.846 5.079 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.305 -6.381 9.835 1.00 0.62 H new ATOM 0 HE2 PHE A 42 6.033 -6.937 6.608 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.419 -7.224 9.021 1.00 0.60 H new ATOM 635 N LYS A 43 4.373 -2.551 5.481 1.00 0.28 N ATOM 636 CA LYS A 43 5.517 -1.964 4.841 1.00 0.31 C ATOM 637 C LYS A 43 6.571 -3.040 4.786 1.00 0.39 C ATOM 638 O LYS A 43 6.483 -3.942 5.591 1.00 0.81 O ATOM 639 CB LYS A 43 5.987 -0.739 5.655 1.00 0.40 C ATOM 640 CG LYS A 43 7.296 -0.106 5.227 1.00 0.54 C ATOM 641 CD LYS A 43 7.703 0.969 6.222 1.00 0.67 C ATOM 642 CE LYS A 43 9.009 1.631 5.836 1.00 1.29 C ATOM 643 NZ LYS A 43 9.671 2.263 7.008 1.00 2.17 N ATOM 0 H LYS A 43 4.493 -2.722 6.479 1.00 0.28 H new ATOM 0 HA LYS A 43 5.294 -1.610 3.834 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.208 0.022 5.607 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.077 -1.037 6.699 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.074 -0.867 5.163 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.192 0.328 4.233 1.00 0.54 H new ATOM 0 HD2 LYS A 43 6.918 1.723 6.283 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.799 0.528 7.214 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.677 0.890 5.396 1.00 1.29 H new ATOM 0 HE3 LYS A 43 8.823 2.386 5.072 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 10.703 2.173 6.914 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 9.414 3.270 7.051 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 9.360 1.789 7.880 1.00 2.17 H new ATOM 657 N GLY A 44 7.586 -2.828 3.937 1.00 0.64 N ATOM 658 CA GLY A 44 8.742 -3.718 3.698 1.00 0.92 C ATOM 659 C GLY A 44 8.933 -4.939 4.601 1.00 0.39 C ATOM 660 O GLY A 44 7.998 -5.544 5.037 1.00 1.23 O ATOM 0 H GLY A 44 7.630 -1.985 3.364 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.676 -4.075 2.670 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.645 -3.112 3.768 1.00 0.92 H new ATOM 664 N LYS A 45 10.106 -5.522 4.539 1.00 0.85 N ATOM 665 CA LYS A 45 10.370 -6.830 5.156 1.00 1.06 C ATOM 666 C LYS A 45 9.811 -7.039 6.596 1.00 0.74 C ATOM 667 O LYS A 45 9.923 -8.152 7.122 1.00 0.82 O ATOM 668 CB LYS A 45 11.888 -7.034 5.169 1.00 1.67 C ATOM 669 CG LYS A 45 12.411 -7.803 3.967 1.00 2.44 C ATOM 670 CD LYS A 45 13.906 -8.062 4.065 1.00 2.82 C ATOM 671 CE LYS A 45 14.208 -9.265 4.944 1.00 2.98 C ATOM 672 NZ LYS A 45 13.703 -10.525 4.336 1.00 3.87 N ATOM 0 H LYS A 45 10.912 -5.116 4.064 1.00 0.85 H new ATOM 0 HA LYS A 45 9.836 -7.564 4.552 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.376 -6.060 5.207 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.167 -7.566 6.079 1.00 1.67 H new ATOM 0 HG2 LYS A 45 11.883 -8.753 3.886 1.00 2.44 H new ATOM 0 HG3 LYS A 45 12.199 -7.242 3.057 1.00 2.44 H new ATOM 0 HD2 LYS A 45 14.313 -8.228 3.068 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.403 -7.181 4.470 1.00 2.82 H new ATOM 0 HE2 LYS A 45 15.284 -9.341 5.101 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.752 -9.124 5.924 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 14.233 -11.333 4.720 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 12.693 -10.637 4.558 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 13.829 -10.487 3.304 1.00 3.87 H new ATOM 686 N TRP A 46 9.193 -6.023 7.235 1.00 0.58 N ATOM 687 CA TRP A 46 8.628 -6.208 8.580 1.00 0.57 C ATOM 688 C TRP A 46 7.773 -5.040 9.100 1.00 0.63 C ATOM 689 O TRP A 46 7.115 -5.163 10.134 1.00 0.74 O ATOM 690 CB TRP A 46 9.753 -6.388 9.563 1.00 0.76 C ATOM 691 CG TRP A 46 10.880 -5.433 9.355 1.00 0.97 C ATOM 692 CD1 TRP A 46 11.896 -5.562 8.463 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.098 -4.210 10.051 1.00 1.27 C ATOM 694 NE1 TRP A 46 12.723 -4.478 8.531 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.262 -3.631 9.513 1.00 1.42 C ATOM 696 CE3 TRP A 46 10.418 -3.545 11.073 1.00 1.66 C ATOM 697 CZ2 TRP A 46 12.758 -2.412 9.966 1.00 1.78 C ATOM 698 CZ3 TRP A 46 10.911 -2.338 11.523 1.00 2.10 C ATOM 699 CH2 TRP A 46 12.070 -1.781 10.973 1.00 2.11 C ATOM 0 H TRP A 46 9.076 -5.087 6.848 1.00 0.58 H new ATOM 0 HA TRP A 46 7.975 -7.076 8.493 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.365 -6.266 10.574 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.132 -7.407 9.488 1.00 0.76 H new ATOM 0 HD1 TRP A 46 12.030 -6.401 7.796 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.547 -4.322 7.950 1.00 1.38 H new ATOM 0 HE3 TRP A 46 9.522 -3.968 11.503 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 13.651 -1.978 9.541 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 10.393 -1.814 12.313 1.00 2.10 H new ATOM 0 HH2 TRP A 46 12.431 -0.835 11.348 1.00 2.11 H new ATOM 710 N VAL A 47 7.776 -3.939 8.396 1.00 0.63 N ATOM 711 CA VAL A 47 7.410 -2.678 8.931 1.00 0.74 C ATOM 712 C VAL A 47 5.938 -2.343 8.759 1.00 0.59 C ATOM 713 O VAL A 47 5.211 -2.906 7.947 1.00 0.57 O ATOM 714 CB VAL A 47 8.260 -1.556 8.312 1.00 0.90 C ATOM 715 CG1 VAL A 47 8.886 -0.740 9.407 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.345 -2.097 7.383 1.00 1.29 C ATOM 0 H VAL A 47 8.041 -3.906 7.412 1.00 0.63 H new ATOM 0 HA VAL A 47 7.599 -2.751 10.002 1.00 0.74 H new ATOM 0 HB VAL A 47 7.599 -0.933 7.709 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.489 0.056 8.969 1.00 1.20 H new ATOM 0 HG12 VAL A 47 8.104 -0.303 10.028 1.00 1.20 H new ATOM 0 HG13 VAL A 47 9.520 -1.380 10.020 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.918 -1.267 6.971 1.00 1.29 H new ATOM 0 HG22 VAL A 47 10.010 -2.754 7.944 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.882 -2.657 6.571 1.00 1.29 H new ATOM 726 N ASP A 48 5.551 -1.432 9.594 1.00 0.60 N ATOM 727 CA ASP A 48 4.215 -0.895 9.699 1.00 0.56 C ATOM 728 C ASP A 48 4.124 0.564 9.279 1.00 0.58 C ATOM 729 O ASP A 48 4.493 1.446 10.045 1.00 0.96 O ATOM 730 CB ASP A 48 3.765 -0.981 11.140 1.00 0.73 C ATOM 731 CG ASP A 48 4.862 -0.759 12.174 1.00 1.88 C ATOM 732 OD1 ASP A 48 5.868 -1.492 12.167 1.00 2.73 O ATOM 733 OD2 ASP A 48 4.705 0.151 13.018 1.00 2.22 O ATOM 0 H ASP A 48 6.193 -1.012 10.266 1.00 0.60 H new ATOM 0 HA ASP A 48 3.586 -1.482 9.030 1.00 0.56 H new ATOM 0 HB2 ASP A 48 2.979 -0.244 11.303 1.00 0.73 H new ATOM 0 HB3 ASP A 48 3.322 -1.963 11.308 1.00 0.73 H new ATOM 738 N LEU A 49 3.559 0.831 8.118 1.00 0.39 N ATOM 739 CA LEU A 49 3.511 2.195 7.593 1.00 0.35 C ATOM 740 C LEU A 49 2.872 3.183 8.557 1.00 0.41 C ATOM 741 O LEU A 49 3.338 4.303 8.672 1.00 0.44 O ATOM 742 CB LEU A 49 2.746 2.284 6.279 1.00 0.29 C ATOM 743 CG LEU A 49 3.427 1.744 5.027 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.059 0.324 4.753 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.025 2.548 3.837 1.00 0.28 C ATOM 0 H LEU A 49 3.126 0.129 7.517 1.00 0.39 H new ATOM 0 HA LEU A 49 4.557 2.459 7.440 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.802 1.753 6.403 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.502 3.332 6.103 1.00 0.29 H new ATOM 0 HG LEU A 49 4.500 1.809 5.205 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.568 -0.016 3.852 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.358 -0.299 5.596 1.00 0.36 H new ATOM 0 HD13 LEU A 49 1.981 0.248 4.611 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.517 2.154 2.948 1.00 0.28 H new ATOM 0 HD22 LEU A 49 1.944 2.492 3.708 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.319 3.587 3.984 1.00 0.28 H new ATOM 757 N SER A 50 1.859 2.756 9.288 1.00 0.48 N ATOM 758 CA SER A 50 1.036 3.664 10.067 1.00 0.58 C ATOM 759 C SER A 50 1.918 4.395 11.053 1.00 0.62 C ATOM 760 O SER A 50 1.569 5.460 11.558 1.00 0.70 O ATOM 761 CB SER A 50 -0.076 2.895 10.795 1.00 0.73 C ATOM 762 OG SER A 50 -1.030 3.774 11.374 1.00 1.23 O ATOM 0 H SER A 50 1.584 1.776 9.359 1.00 0.48 H new ATOM 0 HA SER A 50 0.558 4.385 9.405 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.576 2.227 10.094 1.00 0.73 H new ATOM 0 HB3 SER A 50 0.363 2.270 11.573 1.00 0.73 H new ATOM 0 HG SER A 50 -1.724 3.251 11.828 1.00 1.23 H new ATOM 768 N SER A 51 3.070 3.803 11.320 1.00 0.64 N ATOM 769 CA SER A 51 4.002 4.389 12.208 1.00 0.75 C ATOM 770 C SER A 51 5.112 5.137 11.466 1.00 0.72 C ATOM 771 O SER A 51 5.522 6.233 11.857 1.00 0.85 O ATOM 772 CB SER A 51 4.613 3.307 13.075 1.00 0.90 C ATOM 773 OG SER A 51 3.620 2.479 13.649 1.00 1.34 O ATOM 0 H SER A 51 3.364 2.912 10.921 1.00 0.64 H new ATOM 0 HA SER A 51 3.469 5.115 12.822 1.00 0.75 H new ATOM 0 HB2 SER A 51 5.292 2.700 12.476 1.00 0.90 H new ATOM 0 HB3 SER A 51 5.207 3.765 13.865 1.00 0.90 H new ATOM 0 HG SER A 51 3.815 1.542 13.440 1.00 1.34 H new ATOM 779 N LYS A 52 5.585 4.516 10.393 1.00 0.62 N ATOM 780 CA LYS A 52 6.811 4.913 9.720 1.00 0.66 C ATOM 781 C LYS A 52 6.583 6.022 8.711 1.00 0.67 C ATOM 782 O LYS A 52 7.444 6.870 8.499 1.00 1.09 O ATOM 783 CB LYS A 52 7.394 3.711 8.985 1.00 0.65 C ATOM 784 CG LYS A 52 7.054 2.350 9.577 1.00 0.70 C ATOM 785 CD LYS A 52 7.197 2.269 11.099 1.00 0.78 C ATOM 786 CE LYS A 52 8.645 2.231 11.563 1.00 1.02 C ATOM 787 NZ LYS A 52 8.754 2.437 13.035 1.00 1.40 N ATOM 0 H LYS A 52 5.122 3.715 9.963 1.00 0.62 H new ATOM 0 HA LYS A 52 7.494 5.282 10.485 1.00 0.66 H new ATOM 0 HB2 LYS A 52 7.046 3.735 7.952 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.479 3.815 8.958 1.00 0.65 H new ATOM 0 HG2 LYS A 52 6.029 2.095 9.306 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.700 1.598 9.123 1.00 0.70 H new ATOM 0 HD2 LYS A 52 6.700 3.128 11.550 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.683 1.378 11.459 1.00 0.78 H new ATOM 0 HE2 LYS A 52 9.089 1.272 11.295 1.00 1.02 H new ATOM 0 HE3 LYS A 52 9.215 3.002 11.044 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 9.755 2.405 13.317 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 8.353 3.363 13.287 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 8.231 1.687 13.530 1.00 1.40 H new ATOM 801 N VAL A 53 5.447 5.915 8.056 1.00 0.34 N ATOM 802 CA VAL A 53 4.954 6.833 7.063 1.00 0.32 C ATOM 803 C VAL A 53 5.315 8.258 7.367 1.00 0.33 C ATOM 804 O VAL A 53 4.685 8.962 8.159 1.00 0.37 O ATOM 805 CB VAL A 53 3.445 6.621 6.886 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.730 7.772 6.208 1.00 0.34 C ATOM 807 CG2 VAL A 53 3.245 5.375 6.078 1.00 0.35 C ATOM 0 H VAL A 53 4.808 5.136 8.215 1.00 0.34 H new ATOM 0 HA VAL A 53 5.444 6.621 6.113 1.00 0.32 H new ATOM 0 HB VAL A 53 3.012 6.545 7.883 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.668 7.541 6.122 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.857 8.679 6.800 1.00 0.34 H new ATOM 0 HG13 VAL A 53 3.149 7.926 5.214 1.00 0.34 H new ATOM 0 HG21 VAL A 53 2.178 5.200 5.937 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.726 5.490 5.106 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.685 4.527 6.602 1.00 0.35 H new ATOM 817 N GLY A 54 6.388 8.620 6.729 1.00 0.35 N ATOM 818 CA GLY A 54 6.946 9.945 6.867 1.00 0.41 C ATOM 819 C GLY A 54 7.637 10.425 5.608 1.00 0.44 C ATOM 820 O GLY A 54 7.168 10.173 4.505 1.00 0.70 O ATOM 0 H GLY A 54 6.906 8.010 6.097 1.00 0.35 H new ATOM 0 HA2 GLY A 54 6.151 10.644 7.129 1.00 0.41 H new ATOM 0 HA3 GLY A 54 7.659 9.950 7.692 1.00 0.41 H new ATOM 824 N GLN A 55 8.779 11.075 5.773 1.00 0.36 N ATOM 825 CA GLN A 55 9.417 11.817 4.681 1.00 0.43 C ATOM 826 C GLN A 55 10.075 10.903 3.641 1.00 0.39 C ATOM 827 O GLN A 55 10.522 11.371 2.594 1.00 0.50 O ATOM 828 CB GLN A 55 10.453 12.797 5.245 1.00 0.61 C ATOM 829 CG GLN A 55 9.864 14.019 5.951 1.00 1.43 C ATOM 830 CD GLN A 55 9.024 13.674 7.173 1.00 2.08 C ATOM 831 OE1 GLN A 55 9.548 13.528 8.275 1.00 2.75 O ATOM 832 NE2 GLN A 55 7.714 13.573 6.994 1.00 2.69 N ATOM 0 H GLN A 55 9.290 11.107 6.655 1.00 0.36 H new ATOM 0 HA GLN A 55 8.626 12.364 4.168 1.00 0.43 H new ATOM 0 HB2 GLN A 55 11.093 12.263 5.947 1.00 0.61 H new ATOM 0 HB3 GLN A 55 11.091 13.139 4.430 1.00 0.61 H new ATOM 0 HG2 GLN A 55 10.677 14.679 6.254 1.00 1.43 H new ATOM 0 HG3 GLN A 55 9.249 14.575 5.243 1.00 1.43 H new ATOM 0 HE21 GLN A 55 7.315 13.701 6.064 1.00 2.69 H new ATOM 0 HE22 GLN A 55 7.105 13.368 7.786 1.00 2.69 H new ATOM 841 N HIS A 56 10.145 9.609 3.923 1.00 0.36 N ATOM 842 CA HIS A 56 10.701 8.665 2.955 1.00 0.41 C ATOM 843 C HIS A 56 9.622 7.740 2.415 1.00 0.35 C ATOM 844 O HIS A 56 9.628 7.387 1.254 1.00 0.42 O ATOM 845 CB HIS A 56 11.848 7.858 3.568 1.00 0.54 C ATOM 846 CG HIS A 56 11.426 6.854 4.595 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.968 5.600 4.266 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.373 6.931 5.946 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.646 4.953 5.363 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.884 5.734 6.402 1.00 1.33 N ATOM 0 H HIS A 56 9.830 9.191 4.799 1.00 0.36 H new ATOM 0 HA HIS A 56 11.102 9.242 2.122 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.377 7.340 2.769 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.557 8.549 4.024 1.00 0.54 H new ATOM 0 HD2 HIS A 56 11.662 7.777 6.551 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.252 3.949 5.408 1.00 1.11 H new ATOM 0 HE2 HIS A 56 10.730 5.488 7.380 1.00 1.33 H new ATOM 859 N LEU A 57 8.713 7.355 3.280 1.00 0.28 N ATOM 860 CA LEU A 57 7.526 6.617 2.892 1.00 0.25 C ATOM 861 C LEU A 57 6.344 7.444 3.331 1.00 0.23 C ATOM 862 O LEU A 57 6.002 7.451 4.494 1.00 0.29 O ATOM 863 CB LEU A 57 7.535 5.227 3.614 1.00 0.38 C ATOM 864 CG LEU A 57 6.282 4.333 3.677 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.098 4.827 2.850 1.00 1.11 C ATOM 866 CD2 LEU A 57 6.655 2.924 3.291 1.00 1.10 C ATOM 0 H LEU A 57 8.774 7.545 4.280 1.00 0.28 H new ATOM 0 HA LEU A 57 7.484 6.438 1.818 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.321 4.634 3.146 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.844 5.409 4.643 1.00 0.38 H new ATOM 0 HG LEU A 57 5.931 4.371 4.708 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.264 4.133 2.958 1.00 1.11 H new ATOM 0 HD12 LEU A 57 4.796 5.814 3.200 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.387 4.887 1.801 1.00 1.11 H new ATOM 0 HD21 LEU A 57 5.770 2.289 3.335 1.00 1.10 H new ATOM 0 HD22 LEU A 57 7.056 2.919 2.278 1.00 1.10 H new ATOM 0 HD23 LEU A 57 7.408 2.545 3.982 1.00 1.10 H new ATOM 878 N GLN A 58 5.725 8.122 2.403 1.00 0.20 N ATOM 879 CA GLN A 58 4.470 8.729 2.643 1.00 0.21 C ATOM 880 C GLN A 58 3.414 7.781 2.150 1.00 0.18 C ATOM 881 O GLN A 58 3.328 7.472 0.967 1.00 0.19 O ATOM 882 CB GLN A 58 4.355 10.052 1.882 1.00 0.27 C ATOM 883 CG GLN A 58 5.460 11.056 2.170 1.00 0.46 C ATOM 884 CD GLN A 58 6.675 10.920 1.272 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.729 11.503 0.190 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.667 10.184 1.726 1.00 0.28 N ATOM 0 H GLN A 58 6.089 8.262 1.460 1.00 0.20 H new ATOM 0 HA GLN A 58 4.353 8.938 3.706 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.347 9.840 0.813 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.396 10.511 2.123 1.00 0.27 H new ATOM 0 HG2 GLN A 58 5.056 12.063 2.066 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.775 10.945 3.208 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.583 9.716 2.629 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.519 10.081 1.175 1.00 0.28 H new ATOM 895 N LEU A 59 2.637 7.327 3.065 1.00 0.20 N ATOM 896 CA LEU A 59 1.454 6.576 2.761 1.00 0.20 C ATOM 897 C LEU A 59 0.336 7.591 2.765 1.00 0.21 C ATOM 898 O LEU A 59 -0.223 7.930 3.810 1.00 0.23 O ATOM 899 CB LEU A 59 1.218 5.464 3.809 1.00 0.23 C ATOM 900 CG LEU A 59 0.213 4.356 3.480 1.00 0.23 C ATOM 901 CD1 LEU A 59 -0.112 3.636 4.767 1.00 0.26 C ATOM 902 CD2 LEU A 59 -1.032 4.894 2.809 1.00 0.23 C ATOM 0 H LEU A 59 2.799 7.464 4.063 1.00 0.20 H new ATOM 0 HA LEU A 59 1.527 6.064 1.802 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.179 4.991 4.014 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.895 5.942 4.734 1.00 0.23 H new ATOM 0 HG LEU A 59 0.652 3.663 2.762 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.827 2.838 4.567 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.800 3.209 5.185 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.543 4.340 5.479 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.714 4.071 2.595 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.521 5.609 3.470 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.758 5.390 1.878 1.00 0.23 H new ATOM 914 N HIS A 60 0.062 8.103 1.594 1.00 0.22 N ATOM 915 CA HIS A 60 -0.933 9.090 1.404 1.00 0.25 C ATOM 916 C HIS A 60 -2.207 8.427 1.023 1.00 0.24 C ATOM 917 O HIS A 60 -2.255 7.300 0.549 1.00 0.26 O ATOM 918 CB HIS A 60 -0.510 10.108 0.339 1.00 0.37 C ATOM 919 CG HIS A 60 -1.413 11.304 0.194 1.00 0.79 C ATOM 920 ND1 HIS A 60 -1.787 12.098 1.254 1.00 1.48 N ATOM 921 CD2 HIS A 60 -1.994 11.848 -0.902 1.00 1.65 C ATOM 922 CE1 HIS A 60 -2.556 13.078 0.818 1.00 1.91 C ATOM 923 NE2 HIS A 60 -2.698 12.954 -0.488 1.00 2.03 N ATOM 0 H HIS A 60 0.542 7.831 0.736 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.072 9.638 2.336 1.00 0.25 H new ATOM 0 HB2 HIS A 60 0.495 10.459 0.575 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -0.452 9.599 -0.623 1.00 0.37 H new ATOM 0 HD2 HIS A 60 -1.918 11.481 -1.915 1.00 1.65 H new ATOM 0 HE1 HIS A 60 -2.996 13.853 1.429 1.00 1.91 H new ATOM 0 HE2 HIS A 60 -3.239 13.575 -1.090 1.00 2.03 H new ATOM 932 N ASP A 61 -3.204 9.165 1.250 1.00 0.29 N ATOM 933 CA ASP A 61 -4.547 8.751 1.053 1.00 0.32 C ATOM 934 C ASP A 61 -5.338 9.830 0.371 1.00 0.35 C ATOM 935 O ASP A 61 -5.568 10.925 0.889 1.00 0.48 O ATOM 936 CB ASP A 61 -5.220 8.346 2.345 1.00 0.44 C ATOM 937 CG ASP A 61 -5.163 9.397 3.448 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.059 9.677 3.963 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.234 9.919 3.835 1.00 0.92 O ATOM 0 H ASP A 61 -3.120 10.121 1.595 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.517 7.869 0.413 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.264 8.113 2.138 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -4.755 7.430 2.710 1.00 0.44 H new ATOM 944 N SER A 62 -5.698 9.495 -0.813 1.00 0.29 N ATOM 945 CA SER A 62 -6.566 10.306 -1.624 1.00 0.32 C ATOM 946 C SER A 62 -7.969 9.780 -1.498 1.00 0.32 C ATOM 947 O SER A 62 -8.183 8.585 -1.298 1.00 0.41 O ATOM 948 CB SER A 62 -6.131 10.315 -3.081 1.00 0.40 C ATOM 949 OG SER A 62 -4.725 10.484 -3.191 1.00 0.47 O ATOM 0 H SER A 62 -5.397 8.632 -1.267 1.00 0.29 H new ATOM 0 HA SER A 62 -6.517 11.336 -1.272 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.427 9.381 -3.558 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.640 11.120 -3.611 1.00 0.40 H new ATOM 0 HG SER A 62 -4.408 10.060 -4.016 1.00 0.47 H new ATOM 955 N TYR A 63 -8.911 10.667 -1.613 1.00 0.38 N ATOM 956 CA TYR A 63 -10.273 10.347 -1.308 1.00 0.45 C ATOM 957 C TYR A 63 -11.201 11.019 -2.271 1.00 0.47 C ATOM 958 O TYR A 63 -11.512 12.206 -2.160 1.00 0.54 O ATOM 959 CB TYR A 63 -10.553 10.711 0.146 1.00 0.64 C ATOM 960 CG TYR A 63 -12.007 10.846 0.559 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.800 9.729 0.781 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.570 12.099 0.772 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.115 9.857 1.191 1.00 1.05 C ATOM 964 CE2 TYR A 63 -13.880 12.236 1.189 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.648 11.111 1.398 1.00 1.07 C ATOM 966 OH TYR A 63 -15.951 11.238 1.821 1.00 1.39 O ATOM 0 H TYR A 63 -8.759 11.628 -1.919 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.446 9.277 -1.422 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.091 9.953 0.779 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.052 11.655 0.361 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.384 8.744 0.631 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -11.971 12.983 0.608 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.722 8.977 1.348 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.299 13.218 1.350 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.172 12.188 1.920 1.00 1.39 H new ATOM 976 N ASP A 64 -11.591 10.248 -3.252 1.00 0.47 N ATOM 977 CA ASP A 64 -12.578 10.681 -4.198 1.00 0.57 C ATOM 978 C ASP A 64 -13.777 9.789 -4.080 1.00 0.57 C ATOM 979 O ASP A 64 -13.690 8.563 -4.132 1.00 0.63 O ATOM 980 CB ASP A 64 -12.060 10.693 -5.624 1.00 0.71 C ATOM 981 CG ASP A 64 -12.851 11.632 -6.520 1.00 1.53 C ATOM 982 OD1 ASP A 64 -14.034 11.345 -6.800 1.00 2.42 O ATOM 983 OD2 ASP A 64 -12.291 12.661 -6.950 1.00 2.00 O ATOM 0 H ASP A 64 -11.234 9.307 -3.415 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.844 11.712 -3.964 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -11.012 10.992 -5.624 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -12.104 9.683 -6.032 1.00 0.71 H new ATOM 988 N ARG A 65 -14.881 10.422 -3.926 1.00 0.60 N ATOM 989 CA ARG A 65 -16.136 9.745 -3.654 1.00 0.64 C ATOM 990 C ARG A 65 -16.960 9.611 -4.907 1.00 0.74 C ATOM 991 O ARG A 65 -17.704 8.651 -5.083 1.00 0.88 O ATOM 992 CB ARG A 65 -16.900 10.488 -2.575 1.00 0.74 C ATOM 993 CG ARG A 65 -16.551 9.962 -1.209 1.00 0.86 C ATOM 994 CD ARG A 65 -17.041 8.538 -1.084 1.00 1.00 C ATOM 995 NE ARG A 65 -18.330 8.497 -0.408 1.00 1.19 N ATOM 996 CZ ARG A 65 -18.560 7.871 0.744 1.00 1.80 C ATOM 997 NH1 ARG A 65 -17.618 7.130 1.325 1.00 2.46 N ATOM 998 NH2 ARG A 65 -19.745 7.990 1.319 1.00 2.07 N ATOM 0 H ARG A 65 -14.961 11.437 -3.982 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.920 8.738 -3.296 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.670 11.552 -2.629 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.972 10.384 -2.746 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -15.473 10.003 -1.055 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -17.007 10.585 -0.439 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.129 8.090 -2.074 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -16.314 7.945 -0.529 1.00 1.00 H new ATOM 0 HE ARG A 65 -19.112 8.982 -0.848 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -16.702 7.035 0.887 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -17.813 6.658 2.208 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -20.470 8.557 0.880 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -19.933 7.515 2.202 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.797 10.580 -5.765 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.422 10.570 -7.076 1.00 0.93 C ATOM 1014 C ALA A 66 -16.714 9.584 -7.999 1.00 0.83 C ATOM 1015 O ALA A 66 -17.274 9.142 -9.000 1.00 0.92 O ATOM 1016 CB ALA A 66 -17.426 11.964 -7.680 1.00 1.15 C ATOM 0 H ALA A 66 -16.227 11.406 -5.582 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.457 10.248 -6.960 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -17.899 11.934 -8.662 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -17.982 12.640 -7.030 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -16.401 12.319 -7.782 1.00 1.15 H new ATOM 1022 N SER A 67 -15.483 9.242 -7.642 1.00 0.72 N ATOM 1023 CA SER A 67 -14.725 8.231 -8.355 1.00 0.72 C ATOM 1024 C SER A 67 -14.847 6.941 -7.592 1.00 0.58 C ATOM 1025 O SER A 67 -14.638 5.854 -8.133 1.00 0.63 O ATOM 1026 CB SER A 67 -13.253 8.625 -8.499 1.00 0.83 C ATOM 1027 OG SER A 67 -13.121 9.855 -9.186 1.00 1.41 O ATOM 0 H SER A 67 -14.987 9.657 -6.854 1.00 0.72 H new ATOM 0 HA SER A 67 -15.124 8.124 -9.364 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.796 8.705 -7.513 1.00 0.83 H new ATOM 0 HB3 SER A 67 -12.715 7.844 -9.037 1.00 0.83 H new ATOM 0 HG SER A 67 -12.172 10.086 -9.264 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.200 7.094 -6.316 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.463 5.971 -5.445 1.00 0.50 C ATOM 1035 C LYS A 68 -14.160 5.233 -5.164 1.00 0.44 C ATOM 1036 O LYS A 68 -14.142 4.026 -4.955 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.482 5.054 -6.117 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.134 4.034 -5.212 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.271 4.616 -4.382 1.00 1.38 C ATOM 1040 CE LYS A 68 -17.769 5.456 -3.215 1.00 2.27 C ATOM 1041 NZ LYS A 68 -18.872 5.817 -2.287 1.00 3.31 N ATOM 0 H LYS A 68 -15.309 8.003 -5.866 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.873 6.312 -4.494 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.263 5.671 -6.562 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -15.988 4.527 -6.933 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -17.517 3.212 -5.817 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.381 3.615 -4.544 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.906 5.230 -5.021 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -18.891 3.805 -4.001 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -17.002 4.904 -2.672 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.300 6.364 -3.594 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -18.476 6.255 -1.431 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -19.513 6.489 -2.755 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -19.400 4.960 -2.025 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.073 5.985 -5.130 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.762 5.422 -4.913 1.00 0.31 C ATOM 1057 C VAL A 69 -11.046 6.197 -3.837 1.00 0.29 C ATOM 1058 O VAL A 69 -10.982 7.427 -3.867 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.858 5.469 -6.157 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.665 4.546 -5.977 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.619 5.129 -7.429 1.00 0.43 C ATOM 0 H VAL A 69 -13.080 6.998 -5.252 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.934 4.381 -4.640 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.499 6.492 -6.265 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.034 4.589 -6.865 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.089 4.861 -5.107 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.015 3.524 -5.830 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -10.941 5.175 -8.282 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.033 4.124 -7.348 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.429 5.845 -7.571 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.531 5.474 -2.892 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.558 5.998 -1.986 1.00 0.25 C ATOM 1073 C TYR A 70 -8.224 5.521 -2.472 1.00 0.22 C ATOM 1074 O TYR A 70 -7.935 4.325 -2.462 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.751 5.508 -0.562 1.00 0.31 C ATOM 1076 CG TYR A 70 -11.177 5.550 -0.066 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -12.036 6.563 -0.463 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.669 4.563 0.775 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.344 6.595 -0.030 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.978 4.587 1.209 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.782 5.649 0.887 1.00 0.76 C ATOM 1082 OH TYR A 70 -15.123 5.629 1.229 1.00 0.93 O ATOM 0 H TYR A 70 -10.776 4.498 -2.727 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.647 7.084 -1.964 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.387 4.483 -0.493 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -9.132 6.111 0.102 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.675 7.339 -1.122 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -11.017 3.763 1.095 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.022 7.349 -0.401 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -13.368 3.772 1.800 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.284 4.914 1.879 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.435 6.436 -2.929 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.133 6.090 -3.419 1.00 0.19 C ATOM 1094 C LEU A 71 -5.134 6.280 -2.326 1.00 0.20 C ATOM 1095 O LEU A 71 -4.764 7.391 -1.969 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.677 6.892 -4.638 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.175 6.730 -4.931 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.839 5.292 -5.300 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.717 7.679 -6.014 1.00 0.52 C ATOM 0 H LEU A 71 -7.664 7.429 -2.975 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.202 5.051 -3.741 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.249 6.575 -5.510 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -5.899 7.947 -4.477 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.637 6.981 -4.017 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.771 5.208 -5.502 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.105 4.633 -4.474 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.400 5.004 -6.189 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.652 7.537 -6.195 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.271 7.479 -6.931 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -3.898 8.706 -5.698 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.706 5.183 -1.820 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.607 5.150 -0.929 1.00 0.21 C ATOM 1113 C PHE A 72 -2.372 5.053 -1.778 1.00 0.23 C ATOM 1114 O PHE A 72 -2.123 4.059 -2.454 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.717 3.959 -0.019 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.867 4.019 0.944 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -4.727 4.636 2.179 1.00 0.31 C ATOM 1118 CD2 PHE A 72 -6.090 3.457 0.616 1.00 0.28 C ATOM 1119 CE1 PHE A 72 -5.786 4.692 3.063 1.00 0.33 C ATOM 1120 CE2 PHE A 72 -7.152 3.508 1.499 1.00 0.30 C ATOM 1121 CZ PHE A 72 -6.992 4.135 2.734 1.00 0.30 C ATOM 0 H PHE A 72 -5.115 4.269 -2.016 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.578 6.040 -0.300 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.815 3.060 -0.627 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.790 3.862 0.546 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -3.780 5.077 2.452 1.00 0.31 H new ATOM 0 HD2 PHE A 72 -6.215 2.973 -0.341 1.00 0.28 H new ATOM 0 HE1 PHE A 72 -5.662 5.178 4.019 1.00 0.33 H new ATOM 0 HE2 PHE A 72 -8.100 3.065 1.234 1.00 0.30 H new ATOM 0 HZ PHE A 72 -7.817 4.181 3.429 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.627 6.094 -1.745 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.479 6.226 -2.595 1.00 0.26 C ATOM 1133 C GLU A 73 0.759 6.420 -1.779 1.00 0.20 C ATOM 1134 O GLU A 73 0.873 7.349 -0.978 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.633 7.362 -3.592 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.230 8.631 -3.005 1.00 0.59 C ATOM 1137 CD GLU A 73 -1.145 9.804 -3.958 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -0.098 10.476 -4.000 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -2.134 10.061 -4.671 1.00 1.32 O ATOM 0 H GLU A 73 -1.788 6.890 -1.128 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.392 5.300 -3.163 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.345 7.595 -4.014 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -1.263 7.025 -4.415 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.273 8.452 -2.746 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -0.710 8.880 -2.080 1.00 0.59 H new ATOM 1146 N LEU A 74 1.677 5.529 -1.992 1.00 0.21 N ATOM 1147 CA LEU A 74 2.921 5.561 -1.310 1.00 0.21 C ATOM 1148 C LEU A 74 3.866 6.391 -2.096 1.00 0.20 C ATOM 1149 O LEU A 74 4.020 6.235 -3.307 1.00 0.25 O ATOM 1150 CB LEU A 74 3.540 4.183 -1.149 1.00 0.27 C ATOM 1151 CG LEU A 74 2.710 3.161 -0.379 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.583 2.384 0.575 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.543 3.802 0.362 1.00 0.96 C ATOM 0 H LEU A 74 1.578 4.756 -2.650 1.00 0.21 H new ATOM 0 HA LEU A 74 2.736 5.968 -0.316 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.745 3.781 -2.141 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.500 4.295 -0.645 1.00 0.27 H new ATOM 0 HG LEU A 74 2.284 2.475 -1.111 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.975 1.659 1.116 1.00 0.85 H new ATOM 0 HD12 LEU A 74 4.358 1.861 0.015 1.00 0.85 H new ATOM 0 HD13 LEU A 74 4.047 3.070 1.284 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.983 3.033 0.894 1.00 0.96 H new ATOM 0 HD22 LEU A 74 1.923 4.534 1.075 1.00 0.96 H new ATOM 0 HD23 LEU A 74 0.887 4.299 -0.353 1.00 0.96 H new ATOM 1165 N HIS A 75 4.492 7.253 -1.401 1.00 0.18 N ATOM 1166 CA HIS A 75 5.598 7.969 -1.948 1.00 0.19 C ATOM 1167 C HIS A 75 6.755 7.513 -1.131 1.00 0.19 C ATOM 1168 O HIS A 75 6.974 7.991 -0.024 1.00 0.19 O ATOM 1169 CB HIS A 75 5.425 9.494 -1.839 1.00 0.23 C ATOM 1170 CG HIS A 75 4.314 10.069 -2.671 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.260 11.398 -3.026 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.198 9.501 -3.189 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.162 11.623 -3.723 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.496 10.489 -3.836 1.00 0.94 N ATOM 0 H HIS A 75 4.263 7.492 -0.436 1.00 0.18 H new ATOM 0 HA HIS A 75 5.715 7.775 -3.014 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.246 9.750 -0.795 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.361 9.972 -2.129 1.00 0.23 H new ATOM 0 HD2 HIS A 75 2.913 8.462 -3.108 1.00 1.15 H new ATOM 0 HE1 HIS A 75 2.859 12.575 -4.132 1.00 0.88 H new ATOM 0 HE2 HIS A 75 1.608 10.367 -4.323 1.00 0.94 H new ATOM 1183 N ILE A 76 7.468 6.556 -1.654 1.00 0.21 N ATOM 1184 CA ILE A 76 8.523 5.962 -0.908 1.00 0.23 C ATOM 1185 C ILE A 76 9.815 6.115 -1.648 1.00 0.25 C ATOM 1186 O ILE A 76 10.138 5.394 -2.571 1.00 0.28 O ATOM 1187 CB ILE A 76 8.264 4.491 -0.655 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.931 4.250 0.037 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.394 3.890 0.171 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.675 2.781 0.189 1.00 0.52 C ATOM 0 H ILE A 76 7.333 6.177 -2.591 1.00 0.21 H new ATOM 0 HA ILE A 76 8.579 6.471 0.054 1.00 0.23 H new ATOM 0 HB ILE A 76 8.221 4.001 -1.628 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.932 4.728 1.017 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.127 4.707 -0.540 1.00 0.29 H new ATOM 0 HG21 ILE A 76 9.195 2.833 0.345 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.336 3.998 -0.368 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.461 4.409 1.127 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.717 2.628 0.686 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.652 2.312 -0.795 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.469 2.333 0.786 1.00 0.52 H new ATOM 1202 N THR A 77 10.554 7.046 -1.212 1.00 0.24 N ATOM 1203 CA THR A 77 11.782 7.360 -1.802 1.00 0.26 C ATOM 1204 C THR A 77 12.878 7.025 -0.859 1.00 0.36 C ATOM 1205 O THR A 77 12.761 7.154 0.366 1.00 0.58 O ATOM 1206 CB THR A 77 11.881 8.823 -2.216 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.835 9.676 -1.066 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.742 9.159 -3.141 1.00 0.37 C ATOM 0 H THR A 77 10.315 7.629 -0.410 1.00 0.24 H new ATOM 0 HA THR A 77 11.869 6.769 -2.713 1.00 0.26 H new ATOM 0 HB THR A 77 12.831 8.980 -2.728 1.00 0.32 H new ATOM 0 HG1 THR A 77 11.901 10.612 -1.350 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.811 10.205 -3.438 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.794 8.526 -4.027 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.795 8.989 -2.629 1.00 0.37 H new ATOM 1216 N ASP A 78 13.902 6.576 -1.481 1.00 0.30 N ATOM 1217 CA ASP A 78 15.102 6.125 -0.849 1.00 0.45 C ATOM 1218 C ASP A 78 14.822 4.938 0.022 1.00 0.45 C ATOM 1219 O ASP A 78 14.552 5.038 1.221 1.00 0.70 O ATOM 1220 CB ASP A 78 15.719 7.200 -0.038 1.00 0.61 C ATOM 1221 CG ASP A 78 16.294 8.328 -0.859 1.00 1.44 C ATOM 1222 OD1 ASP A 78 17.426 8.181 -1.365 1.00 1.97 O ATOM 1223 OD2 ASP A 78 15.600 9.352 -1.024 1.00 2.12 O ATOM 0 H ASP A 78 13.937 6.506 -2.498 1.00 0.30 H new ATOM 0 HA ASP A 78 15.801 5.839 -1.635 1.00 0.45 H new ATOM 0 HB2 ASP A 78 14.970 7.604 0.643 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.510 6.770 0.577 1.00 0.61 H new ATOM 1228 N ALA A 79 14.861 3.827 -0.625 1.00 0.37 N ATOM 1229 CA ALA A 79 14.637 2.558 0.003 1.00 0.34 C ATOM 1230 C ALA A 79 15.862 2.163 0.794 1.00 0.38 C ATOM 1231 O ALA A 79 16.975 2.143 0.265 1.00 0.40 O ATOM 1232 CB ALA A 79 14.311 1.503 -1.039 1.00 0.34 C ATOM 0 H ALA A 79 15.053 3.766 -1.625 1.00 0.37 H new ATOM 0 HA ALA A 79 13.788 2.638 0.681 1.00 0.34 H new ATOM 0 HB1 ALA A 79 14.144 0.545 -0.547 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.412 1.794 -1.582 1.00 0.34 H new ATOM 0 HB3 ALA A 79 15.143 1.412 -1.737 1.00 0.34 H new ATOM 1238 N GLN A 80 15.647 1.887 2.062 1.00 0.47 N ATOM 1239 CA GLN A 80 16.702 1.404 2.932 1.00 0.55 C ATOM 1240 C GLN A 80 17.208 0.074 2.403 1.00 0.43 C ATOM 1241 O GLN A 80 16.419 -0.763 2.008 1.00 0.43 O ATOM 1242 CB GLN A 80 16.143 1.254 4.357 1.00 0.74 C ATOM 1243 CG GLN A 80 16.920 0.300 5.252 1.00 0.78 C ATOM 1244 CD GLN A 80 17.875 1.013 6.195 1.00 1.06 C ATOM 1245 OE1 GLN A 80 17.493 1.413 7.294 1.00 1.37 O ATOM 1246 NE2 GLN A 80 19.129 1.147 5.792 1.00 1.43 N ATOM 0 H GLN A 80 14.741 1.990 2.519 1.00 0.47 H new ATOM 0 HA GLN A 80 17.534 2.108 2.956 1.00 0.55 H new ATOM 0 HB2 GLN A 80 16.122 2.236 4.829 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.111 0.909 4.293 1.00 0.74 H new ATOM 0 HG2 GLN A 80 16.217 -0.294 5.836 1.00 0.78 H new ATOM 0 HG3 GLN A 80 17.484 -0.395 4.630 1.00 0.78 H new ATOM 0 HE21 GLN A 80 19.409 0.803 4.874 1.00 1.43 H new ATOM 0 HE22 GLN A 80 19.815 1.594 6.400 1.00 1.43 H new ATOM 1255 N PRO A 81 18.518 -0.134 2.328 1.00 0.42 N ATOM 1256 CA PRO A 81 19.042 -1.422 1.904 1.00 0.44 C ATOM 1257 C PRO A 81 18.589 -2.520 2.860 1.00 0.54 C ATOM 1258 O PRO A 81 18.434 -2.275 4.058 1.00 1.33 O ATOM 1259 CB PRO A 81 20.560 -1.240 1.951 1.00 0.50 C ATOM 1260 CG PRO A 81 20.790 -0.037 2.805 1.00 0.57 C ATOM 1261 CD PRO A 81 19.578 0.835 2.632 1.00 0.49 C ATOM 0 HA PRO A 81 18.693 -1.719 0.915 1.00 0.44 H new ATOM 0 HB2 PRO A 81 21.048 -2.119 2.372 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.969 -1.096 0.951 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.921 -0.320 3.850 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.695 0.489 2.502 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.358 1.405 3.535 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.710 1.555 1.825 1.00 0.49 H new ATOM 1269 N ALA A 82 18.354 -3.713 2.319 1.00 0.81 N ATOM 1270 CA ALA A 82 17.781 -4.828 3.080 1.00 0.88 C ATOM 1271 C ALA A 82 16.342 -4.530 3.503 1.00 0.77 C ATOM 1272 O ALA A 82 15.798 -5.184 4.393 1.00 0.91 O ATOM 1273 CB ALA A 82 18.641 -5.170 4.293 1.00 1.12 C ATOM 0 H ALA A 82 18.554 -3.937 1.344 1.00 0.81 H new ATOM 0 HA ALA A 82 17.765 -5.697 2.423 1.00 0.88 H new ATOM 0 HB1 ALA A 82 18.190 -6.000 4.836 1.00 1.12 H new ATOM 0 HB2 ALA A 82 19.640 -5.453 3.962 1.00 1.12 H new ATOM 0 HB3 ALA A 82 18.708 -4.301 4.948 1.00 1.12 H new ATOM 1279 N PHE A 83 15.721 -3.541 2.857 1.00 0.64 N ATOM 1280 CA PHE A 83 14.320 -3.227 3.110 1.00 0.68 C ATOM 1281 C PHE A 83 13.443 -4.297 2.498 1.00 0.76 C ATOM 1282 O PHE A 83 12.401 -4.620 3.067 1.00 1.24 O ATOM 1283 CB PHE A 83 13.942 -1.867 2.492 1.00 0.74 C ATOM 1284 CG PHE A 83 13.224 -0.868 3.384 1.00 0.70 C ATOM 1285 CD1 PHE A 83 13.068 -1.064 4.756 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.708 0.303 2.825 1.00 0.75 C ATOM 1287 CE1 PHE A 83 12.416 -0.123 5.531 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.055 1.240 3.603 1.00 0.83 C ATOM 1289 CZ PHE A 83 11.912 1.023 4.954 1.00 0.88 C ATOM 0 H PHE A 83 16.167 -2.948 2.158 1.00 0.64 H new ATOM 0 HA PHE A 83 14.170 -3.183 4.189 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.856 -1.397 2.128 1.00 0.74 H new ATOM 0 HB3 PHE A 83 13.312 -2.056 1.623 1.00 0.74 H new ATOM 0 HD1 PHE A 83 13.460 -1.959 5.217 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.821 0.480 1.766 1.00 0.75 H new ATOM 0 HE1 PHE A 83 12.301 -0.286 6.592 1.00 0.90 H new ATOM 0 HE2 PHE A 83 11.659 2.138 3.153 1.00 0.83 H new ATOM 0 HZ PHE A 83 11.403 1.754 5.565 1.00 0.88 H new ATOM 1299 N THR A 84 13.922 -4.857 1.362 1.00 0.55 N ATOM 1300 CA THR A 84 13.160 -5.725 0.481 1.00 0.58 C ATOM 1301 C THR A 84 11.684 -5.674 0.808 1.00 0.80 C ATOM 1302 O THR A 84 11.115 -6.537 1.477 1.00 1.22 O ATOM 1303 CB THR A 84 13.721 -7.135 0.506 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.116 -7.087 0.166 1.00 1.10 O ATOM 1305 CG2 THR A 84 12.979 -8.034 -0.474 1.00 1.17 C ATOM 0 H THR A 84 14.877 -4.703 1.039 1.00 0.55 H new ATOM 0 HA THR A 84 13.259 -5.362 -0.542 1.00 0.58 H new ATOM 0 HB THR A 84 13.594 -7.550 1.506 1.00 0.97 H new ATOM 0 HG1 THR A 84 15.488 -7.994 0.181 1.00 1.10 H new ATOM 0 HG21 THR A 84 13.400 -9.039 -0.437 1.00 1.17 H new ATOM 0 HG22 THR A 84 11.924 -8.073 -0.205 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.081 -7.635 -1.483 1.00 1.17 H new ATOM 1313 N GLY A 85 11.111 -4.601 0.330 1.00 0.87 N ATOM 1314 CA GLY A 85 9.864 -4.115 0.806 1.00 1.43 C ATOM 1315 C GLY A 85 8.725 -5.018 0.531 1.00 0.96 C ATOM 1316 O GLY A 85 8.158 -5.017 -0.547 1.00 1.29 O ATOM 0 H GLY A 85 11.515 -4.036 -0.417 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.935 -3.953 1.882 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.665 -3.145 0.350 1.00 1.43 H new ATOM 1320 N GLY A 86 8.390 -5.753 1.535 1.00 0.52 N ATOM 1321 CA GLY A 86 7.205 -6.544 1.508 1.00 0.52 C ATOM 1322 C GLY A 86 6.064 -5.739 2.047 1.00 0.40 C ATOM 1323 O GLY A 86 5.654 -5.875 3.192 1.00 0.43 O ATOM 0 H GLY A 86 8.929 -5.824 2.398 1.00 0.52 H new ATOM 0 HA2 GLY A 86 6.990 -6.864 0.488 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.342 -7.447 2.103 1.00 0.52 H new ATOM 1327 N TYR A 87 5.631 -4.821 1.233 1.00 0.34 N ATOM 1328 CA TYR A 87 4.494 -3.996 1.536 1.00 0.28 C ATOM 1329 C TYR A 87 3.229 -4.790 1.211 1.00 0.30 C ATOM 1330 O TYR A 87 3.043 -5.212 0.071 1.00 0.39 O ATOM 1331 CB TYR A 87 4.553 -2.725 0.701 1.00 0.35 C ATOM 1332 CG TYR A 87 5.789 -1.886 0.940 1.00 0.39 C ATOM 1333 CD1 TYR A 87 7.025 -2.244 0.411 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.712 -0.725 1.684 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.143 -1.461 0.619 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.825 0.053 1.898 1.00 0.54 C ATOM 1337 CZ TYR A 87 8.037 -0.315 1.367 1.00 0.54 C ATOM 1338 OH TYR A 87 9.146 0.468 1.589 1.00 0.63 O ATOM 0 H TYR A 87 6.061 -4.620 0.330 1.00 0.34 H new ATOM 0 HA TYR A 87 4.491 -3.716 2.589 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.508 -2.994 -0.354 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.671 -2.122 0.914 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.111 -3.149 -0.172 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.764 -0.424 2.104 1.00 0.47 H new ATOM 0 HE1 TYR A 87 9.094 -1.748 0.196 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.746 0.956 2.485 1.00 0.54 H new ATOM 0 HH TYR A 87 8.896 1.241 2.136 1.00 0.63 H new ATOM 1348 N ARG A 88 2.371 -5.024 2.194 1.00 0.33 N ATOM 1349 CA ARG A 88 1.221 -5.888 1.981 1.00 0.36 C ATOM 1350 C ARG A 88 -0.064 -5.198 2.401 1.00 0.36 C ATOM 1351 O ARG A 88 -0.260 -4.884 3.569 1.00 0.60 O ATOM 1352 CB ARG A 88 1.400 -7.205 2.737 1.00 0.42 C ATOM 1353 CG ARG A 88 2.590 -8.019 2.250 1.00 1.09 C ATOM 1354 CD ARG A 88 2.669 -9.374 2.931 1.00 1.23 C ATOM 1355 NE ARG A 88 3.745 -10.202 2.382 1.00 1.73 N ATOM 1356 CZ ARG A 88 3.690 -11.532 2.301 1.00 2.17 C ATOM 1357 NH1 ARG A 88 2.610 -12.179 2.717 1.00 2.11 N ATOM 1358 NH2 ARG A 88 4.712 -12.210 1.793 1.00 3.15 N ATOM 0 H ARG A 88 2.448 -4.634 3.133 1.00 0.33 H new ATOM 0 HA ARG A 88 1.150 -6.106 0.915 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.523 -6.993 3.799 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.494 -7.802 2.634 1.00 0.42 H new ATOM 0 HG2 ARG A 88 2.517 -8.159 1.172 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.510 -7.465 2.438 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.829 -9.234 4.000 1.00 1.23 H new ATOM 0 HD3 ARG A 88 1.718 -9.893 2.817 1.00 1.23 H new ATOM 0 HE ARG A 88 4.585 -9.734 2.042 1.00 1.73 H new ATOM 0 HH11 ARG A 88 1.820 -11.659 3.100 1.00 2.11 H new ATOM 0 HH12 ARG A 88 2.569 -13.196 2.654 1.00 2.11 H new ATOM 0 HH21 ARG A 88 5.540 -11.714 1.464 1.00 3.15 H new ATOM 0 HH22 ARG A 88 4.669 -13.227 1.731 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.932 -4.953 1.438 1.00 0.26 N ATOM 1373 CA CYS A 89 -2.193 -4.291 1.708 1.00 0.27 C ATOM 1374 C CYS A 89 -3.271 -5.318 1.972 1.00 0.25 C ATOM 1375 O CYS A 89 -3.449 -6.252 1.199 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.620 -3.430 0.527 1.00 0.39 C ATOM 1377 SG CYS A 89 -1.272 -2.518 -0.253 1.00 1.08 S ATOM 0 H CYS A 89 -0.786 -5.203 0.460 1.00 0.26 H new ATOM 0 HA CYS A 89 -2.056 -3.657 2.584 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -3.092 -4.068 -0.221 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -3.376 -2.721 0.864 1.00 0.39 H new ATOM 0 HG CYS A 89 -0.869 -1.573 0.544 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.975 -5.145 3.063 1.00 0.26 N ATOM 1384 CA GLU A 90 -5.109 -5.983 3.373 1.00 0.28 C ATOM 1385 C GLU A 90 -6.311 -5.092 3.644 1.00 0.26 C ATOM 1386 O GLU A 90 -6.315 -4.315 4.602 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.803 -6.882 4.575 1.00 0.35 C ATOM 1388 CG GLU A 90 -5.984 -7.720 5.045 1.00 1.19 C ATOM 1389 CD GLU A 90 -5.651 -8.580 6.250 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -5.491 -8.024 7.358 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -5.540 -9.814 6.097 1.00 1.43 O ATOM 0 H GLU A 90 -3.781 -4.424 3.758 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.329 -6.637 2.529 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -3.980 -7.548 4.316 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -4.462 -6.260 5.402 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -6.816 -7.061 5.293 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -6.318 -8.360 4.228 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.303 -5.157 2.774 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.491 -4.350 2.954 1.00 0.22 C ATOM 1400 C VAL A 91 -9.644 -5.199 3.435 1.00 0.22 C ATOM 1401 O VAL A 91 -9.901 -6.298 2.929 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.890 -3.562 1.683 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.963 -4.469 0.465 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.213 -2.819 1.885 1.00 0.51 C ATOM 0 H VAL A 91 -7.309 -5.753 1.946 1.00 0.24 H new ATOM 0 HA VAL A 91 -8.248 -3.609 3.715 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.110 -2.823 1.502 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.246 -3.882 -0.409 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -7.989 -4.928 0.294 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.706 -5.248 0.635 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.467 -2.275 0.975 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -11.002 -3.536 2.111 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -10.113 -2.116 2.712 1.00 0.51 H new ATOM 1414 N SER A 92 -10.329 -4.658 4.409 1.00 0.22 N ATOM 1415 CA SER A 92 -11.417 -5.333 5.064 1.00 0.25 C ATOM 1416 C SER A 92 -12.614 -4.411 5.089 1.00 0.26 C ATOM 1417 O SER A 92 -12.619 -3.386 5.773 1.00 0.30 O ATOM 1418 CB SER A 92 -11.014 -5.733 6.486 1.00 0.32 C ATOM 1419 OG SER A 92 -12.071 -6.397 7.161 1.00 1.18 O ATOM 0 H SER A 92 -10.144 -3.724 4.774 1.00 0.22 H new ATOM 0 HA SER A 92 -11.670 -6.243 4.519 1.00 0.25 H new ATOM 0 HB2 SER A 92 -10.140 -6.384 6.448 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.725 -4.844 7.047 1.00 0.32 H new ATOM 0 HG SER A 92 -11.780 -6.640 8.065 1.00 1.18 H new ATOM 1425 N THR A 93 -13.607 -4.749 4.300 1.00 0.28 N ATOM 1426 CA THR A 93 -14.824 -3.978 4.234 1.00 0.35 C ATOM 1427 C THR A 93 -15.990 -4.887 4.508 1.00 0.39 C ATOM 1428 O THR A 93 -15.797 -6.098 4.497 1.00 0.59 O ATOM 1429 CB THR A 93 -14.962 -3.356 2.854 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.660 -3.086 2.341 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.748 -2.069 2.916 1.00 0.57 C ATOM 0 H THR A 93 -13.593 -5.565 3.687 1.00 0.28 H new ATOM 0 HA THR A 93 -14.800 -3.181 4.977 1.00 0.35 H new ATOM 0 HB THR A 93 -15.494 -4.052 2.206 1.00 0.42 H new ATOM 0 HG1 THR A 93 -13.068 -2.818 3.075 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.832 -1.645 1.915 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.744 -2.270 3.309 1.00 0.57 H new ATOM 0 HG23 THR A 93 -15.236 -1.361 3.568 1.00 0.57 H new ATOM 1439 N LYS A 94 -17.167 -4.284 4.749 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.441 -4.987 4.983 1.00 0.43 C ATOM 1441 C LYS A 94 -18.359 -6.498 4.865 1.00 0.42 C ATOM 1442 O LYS A 94 -18.581 -7.232 5.824 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.512 -4.470 4.012 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.990 -3.786 2.735 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.411 -4.731 1.679 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.330 -5.893 1.312 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.766 -5.526 1.254 1.00 0.65 N ATOM 0 H LYS A 94 -17.261 -3.269 4.787 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.704 -4.770 6.018 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -20.144 -5.308 3.719 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -20.147 -3.763 4.546 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.806 -3.221 2.285 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -18.221 -3.066 3.016 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -18.188 -4.159 0.778 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.465 -5.131 2.044 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -19.027 -6.292 0.344 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.198 -6.692 2.041 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.348 -6.382 1.356 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.986 -4.864 2.025 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.972 -5.074 0.340 1.00 0.65 H new ATOM 1461 N ASP A 95 -18.030 -6.938 3.678 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.976 -8.330 3.361 1.00 0.40 C ATOM 1463 C ASP A 95 -16.944 -8.582 2.276 1.00 0.37 C ATOM 1464 O ASP A 95 -16.644 -9.726 1.964 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.348 -8.781 2.891 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.600 -10.259 3.089 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -19.085 -10.835 4.066 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -20.331 -10.849 2.268 1.00 1.05 O ATOM 0 H ASP A 95 -17.790 -6.326 2.898 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.687 -8.895 4.247 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -20.110 -8.216 3.427 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.458 -8.541 1.834 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.374 -7.514 1.696 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.434 -7.716 0.630 1.00 0.29 C ATOM 1475 C LYS A 96 -14.058 -7.705 1.199 1.00 0.27 C ATOM 1476 O LYS A 96 -13.713 -6.880 2.049 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.494 -6.738 -0.563 1.00 0.30 C ATOM 1478 CG LYS A 96 -16.073 -7.397 -1.798 1.00 0.56 C ATOM 1479 CD LYS A 96 -15.753 -6.631 -3.061 1.00 0.82 C ATOM 1480 CE LYS A 96 -15.517 -7.564 -4.239 1.00 1.00 C ATOM 1481 NZ LYS A 96 -16.645 -8.497 -4.483 1.00 1.29 N ATOM 0 H LYS A 96 -16.551 -6.542 1.949 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.717 -8.676 0.198 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.100 -5.873 -0.294 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.492 -6.370 -0.783 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -15.683 -8.411 -1.882 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -17.155 -7.479 -1.690 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -16.574 -5.952 -3.293 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -14.867 -6.017 -2.900 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -15.346 -6.969 -5.136 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -14.609 -8.141 -4.061 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -16.613 -8.831 -5.467 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -16.569 -9.310 -3.839 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -17.545 -8.005 -4.314 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.308 -8.645 0.741 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.964 -8.844 1.205 1.00 0.29 C ATOM 1497 C PHE A 97 -11.016 -9.027 0.039 1.00 0.32 C ATOM 1498 O PHE A 97 -11.359 -9.659 -0.965 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.925 -10.055 2.122 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.615 -10.224 2.843 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.583 -10.944 2.267 1.00 0.65 C ATOM 1502 CD2 PHE A 97 -10.421 -9.671 4.101 1.00 0.62 C ATOM 1503 CE1 PHE A 97 -8.380 -11.109 2.927 1.00 0.77 C ATOM 1504 CE2 PHE A 97 -9.221 -9.835 4.768 1.00 0.75 C ATOM 1505 CZ PHE A 97 -8.190 -10.515 4.169 1.00 0.74 C ATOM 0 H PHE A 97 -13.606 -9.309 0.026 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.642 -7.962 1.759 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.726 -9.970 2.857 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -12.125 -10.951 1.535 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -9.719 -11.382 1.289 1.00 0.65 H new ATOM 0 HD2 PHE A 97 -11.216 -9.106 4.564 1.00 0.62 H new ATOM 0 HE1 PHE A 97 -7.592 -11.696 2.480 1.00 0.77 H new ATOM 0 HE2 PHE A 97 -9.095 -9.428 5.760 1.00 0.75 H new ATOM 0 HZ PHE A 97 -7.232 -10.588 4.662 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.831 -8.471 0.184 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.762 -8.663 -0.788 1.00 0.43 C ATOM 1517 C ASP A 98 -7.441 -8.243 -0.160 1.00 0.36 C ATOM 1518 O ASP A 98 -7.425 -7.552 0.860 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.018 -7.864 -2.068 1.00 0.56 C ATOM 1520 CG ASP A 98 -8.399 -8.519 -3.293 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -7.157 -8.656 -3.334 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -9.138 -8.868 -4.235 1.00 1.60 O ATOM 0 H ASP A 98 -9.577 -7.876 0.972 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.725 -9.717 -1.064 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -10.092 -7.759 -2.219 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.613 -6.859 -1.953 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.345 -8.652 -0.767 1.00 0.35 N ATOM 1528 CA CYS A 99 -5.027 -8.368 -0.231 1.00 0.30 C ATOM 1529 C CYS A 99 -3.979 -8.332 -1.336 1.00 0.32 C ATOM 1530 O CYS A 99 -4.093 -9.028 -2.350 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.645 -9.405 0.828 1.00 0.34 C ATOM 1532 SG CYS A 99 -4.869 -11.121 0.300 1.00 1.19 S ATOM 0 H CYS A 99 -6.341 -9.185 -1.637 1.00 0.35 H new ATOM 0 HA CYS A 99 -5.061 -7.384 0.236 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.602 -9.256 1.107 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -5.242 -9.231 1.723 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.517 -11.921 1.263 1.00 1.19 H new ATOM 1538 N SER A 100 -2.968 -7.508 -1.135 1.00 0.27 N ATOM 1539 CA SER A 100 -1.885 -7.380 -2.097 1.00 0.30 C ATOM 1540 C SER A 100 -0.537 -7.611 -1.455 1.00 0.31 C ATOM 1541 O SER A 100 -0.320 -7.327 -0.277 1.00 0.42 O ATOM 1542 CB SER A 100 -1.900 -6.028 -2.805 1.00 0.38 C ATOM 1543 OG SER A 100 -0.753 -5.857 -3.619 1.00 0.84 O ATOM 0 H SER A 100 -2.872 -6.914 -0.311 1.00 0.27 H new ATOM 0 HA SER A 100 -2.050 -8.155 -2.845 1.00 0.30 H new ATOM 0 HB2 SER A 100 -2.798 -5.947 -3.418 1.00 0.38 H new ATOM 0 HB3 SER A 100 -1.945 -5.229 -2.065 1.00 0.38 H new ATOM 0 HG SER A 100 -0.792 -4.983 -4.060 1.00 0.84 H new ATOM 1549 N ASN A 101 0.347 -8.134 -2.264 1.00 0.34 N ATOM 1550 CA ASN A 101 1.702 -8.455 -1.849 1.00 0.37 C ATOM 1551 C ASN A 101 2.696 -8.008 -2.915 1.00 0.42 C ATOM 1552 O ASN A 101 2.690 -8.515 -4.033 1.00 0.65 O ATOM 1553 CB ASN A 101 1.849 -9.963 -1.545 1.00 0.60 C ATOM 1554 CG ASN A 101 1.145 -10.896 -2.537 1.00 0.97 C ATOM 1555 OD1 ASN A 101 0.671 -11.968 -2.156 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.098 -10.525 -3.806 1.00 1.05 N ATOM 0 H ASN A 101 0.152 -8.354 -3.241 1.00 0.34 H new ATOM 0 HA ASN A 101 1.919 -7.915 -0.927 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.910 -10.212 -1.525 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.457 -10.157 -0.546 1.00 0.60 H new ATOM 0 HD21 ASN A 101 0.661 -11.132 -4.499 1.00 1.05 H new ATOM 0 HD22 ASN A 101 1.499 -9.632 -4.091 1.00 1.05 H new ATOM 1563 N PHE A 102 3.536 -7.039 -2.590 1.00 0.31 N ATOM 1564 CA PHE A 102 4.457 -6.500 -3.561 1.00 0.38 C ATOM 1565 C PHE A 102 5.780 -6.189 -2.888 1.00 0.30 C ATOM 1566 O PHE A 102 5.816 -5.586 -1.817 1.00 0.37 O ATOM 1567 CB PHE A 102 3.850 -5.277 -4.249 1.00 0.57 C ATOM 1568 CG PHE A 102 3.281 -4.235 -3.327 1.00 0.46 C ATOM 1569 CD1 PHE A 102 2.009 -4.377 -2.792 1.00 0.59 C ATOM 1570 CD2 PHE A 102 4.009 -3.106 -3.016 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.484 -3.409 -1.959 1.00 0.74 C ATOM 1572 CE2 PHE A 102 3.486 -2.138 -2.190 1.00 0.84 C ATOM 1573 CZ PHE A 102 2.224 -2.289 -1.660 1.00 0.86 C ATOM 0 H PHE A 102 3.595 -6.615 -1.664 1.00 0.31 H new ATOM 0 HA PHE A 102 4.648 -7.238 -4.340 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.617 -4.811 -4.867 1.00 0.57 H new ATOM 0 HB3 PHE A 102 3.060 -5.614 -4.921 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.424 -5.253 -3.029 1.00 0.59 H new ATOM 0 HD2 PHE A 102 5.001 -2.980 -3.425 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.495 -3.531 -1.543 1.00 0.74 H new ATOM 0 HE2 PHE A 102 4.067 -1.258 -1.957 1.00 0.84 H new ATOM 0 HZ PHE A 102 1.816 -1.529 -1.010 1.00 0.86 H new ATOM 1583 N ASN A 103 6.859 -6.634 -3.503 1.00 0.24 N ATOM 1584 CA ASN A 103 8.159 -6.565 -2.898 1.00 0.25 C ATOM 1585 C ASN A 103 9.028 -5.533 -3.579 1.00 0.28 C ATOM 1586 O ASN A 103 9.126 -5.465 -4.801 1.00 0.49 O ATOM 1587 CB ASN A 103 8.848 -7.907 -2.994 1.00 0.33 C ATOM 1588 CG ASN A 103 8.023 -9.058 -2.459 1.00 1.08 C ATOM 1589 OD1 ASN A 103 7.279 -8.919 -1.487 1.00 2.11 O ATOM 1590 ND2 ASN A 103 8.139 -10.206 -3.104 1.00 1.25 N ATOM 0 H ASN A 103 6.851 -7.051 -4.434 1.00 0.24 H new ATOM 0 HA ASN A 103 8.019 -6.283 -1.854 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.096 -8.104 -4.037 1.00 0.33 H new ATOM 0 HB3 ASN A 103 9.789 -7.862 -2.446 1.00 0.33 H new ATOM 0 HD21 ASN A 103 7.601 -11.018 -2.801 1.00 1.25 H new ATOM 0 HD22 ASN A 103 8.766 -10.280 -3.905 1.00 1.25 H new ATOM 1597 N LEU A 104 9.685 -4.769 -2.761 1.00 0.23 N ATOM 1598 CA LEU A 104 10.622 -3.765 -3.226 1.00 0.24 C ATOM 1599 C LEU A 104 12.040 -4.273 -3.040 1.00 0.25 C ATOM 1600 O LEU A 104 12.527 -4.405 -1.923 1.00 0.37 O ATOM 1601 CB LEU A 104 10.441 -2.427 -2.490 1.00 0.27 C ATOM 1602 CG LEU A 104 11.723 -1.668 -2.254 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.714 -0.408 -3.083 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.947 -1.360 -0.777 1.00 0.30 C ATOM 0 H LEU A 104 9.593 -4.816 -1.746 1.00 0.23 H new ATOM 0 HA LEU A 104 10.427 -3.585 -4.283 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.761 -1.798 -3.066 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.963 -2.617 -1.529 1.00 0.27 H new ATOM 0 HG LEU A 104 12.558 -2.297 -2.563 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.639 0.144 -2.916 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.632 -0.667 -4.138 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.865 0.211 -2.795 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.882 -0.813 -0.657 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.122 -0.755 -0.402 1.00 0.30 H new ATOM 0 HD23 LEU A 104 11.998 -2.292 -0.215 1.00 0.30 H new ATOM 1616 N THR A 105 12.697 -4.565 -4.129 1.00 0.23 N ATOM 1617 CA THR A 105 14.045 -5.069 -4.067 1.00 0.24 C ATOM 1618 C THR A 105 15.019 -3.909 -4.122 1.00 0.21 C ATOM 1619 O THR A 105 15.317 -3.373 -5.188 1.00 0.22 O ATOM 1620 CB THR A 105 14.342 -6.047 -5.208 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.278 -7.007 -5.310 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.661 -6.763 -4.962 1.00 0.32 C ATOM 0 H THR A 105 12.322 -4.463 -5.072 1.00 0.23 H new ATOM 0 HA THR A 105 14.158 -5.612 -3.129 1.00 0.24 H new ATOM 0 HB THR A 105 14.417 -5.488 -6.141 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.469 -7.631 -6.041 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.858 -7.454 -5.781 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.467 -6.031 -4.903 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.605 -7.317 -4.025 1.00 0.32 H new ATOM 1630 N VAL A 106 15.478 -3.508 -2.958 1.00 0.23 N ATOM 1631 CA VAL A 106 16.409 -2.429 -2.835 1.00 0.23 C ATOM 1632 C VAL A 106 17.803 -2.942 -3.094 1.00 0.25 C ATOM 1633 O VAL A 106 18.342 -3.799 -2.395 1.00 0.28 O ATOM 1634 CB VAL A 106 16.341 -1.720 -1.467 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.506 -2.705 -0.336 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.353 -0.585 -1.401 1.00 0.33 C ATOM 0 H VAL A 106 15.209 -3.930 -2.069 1.00 0.23 H new ATOM 0 HA VAL A 106 16.138 -1.679 -3.578 1.00 0.23 H new ATOM 0 HB VAL A 106 15.352 -1.277 -1.353 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.454 -2.177 0.616 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.711 -3.449 -0.383 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.473 -3.201 -0.424 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.290 -0.097 -0.428 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.357 -0.984 -1.542 1.00 0.33 H new ATOM 0 HG23 VAL A 106 17.138 0.140 -2.185 1.00 0.33 H new ATOM 1646 N HIS A 107 18.334 -2.420 -4.144 1.00 0.26 N ATOM 1647 CA HIS A 107 19.633 -2.784 -4.630 1.00 0.31 C ATOM 1648 C HIS A 107 20.679 -1.942 -3.950 1.00 0.34 C ATOM 1649 O HIS A 107 20.885 -0.775 -4.272 1.00 0.36 O ATOM 1650 CB HIS A 107 19.708 -2.617 -6.149 1.00 0.36 C ATOM 1651 CG HIS A 107 18.854 -3.597 -6.891 1.00 0.43 C ATOM 1652 ND1 HIS A 107 19.142 -4.936 -6.943 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.706 -3.435 -7.591 1.00 0.70 C ATOM 1654 CE1 HIS A 107 18.218 -5.557 -7.639 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.332 -4.674 -8.043 1.00 0.53 N ATOM 0 H HIS A 107 17.870 -1.708 -4.709 1.00 0.26 H new ATOM 0 HA HIS A 107 19.817 -3.833 -4.400 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.402 -1.605 -6.413 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.743 -2.730 -6.470 1.00 0.36 H new ATOM 0 HD1 HIS A 107 19.950 -5.381 -6.508 1.00 1.19 H new ATOM 0 HD2 HIS A 107 17.184 -2.505 -7.761 1.00 0.70 H new ATOM 0 HE1 HIS A 107 18.190 -6.617 -7.845 1.00 1.10 H new ATOM 1664 N GLU A 108 21.279 -2.543 -2.965 1.00 0.45 N ATOM 1665 CA GLU A 108 22.408 -1.950 -2.265 1.00 0.56 C ATOM 1666 C GLU A 108 23.658 -2.043 -3.130 1.00 0.71 C ATOM 1667 O GLU A 108 24.265 -1.034 -3.487 1.00 1.33 O ATOM 1668 CB GLU A 108 22.628 -2.666 -0.934 1.00 0.71 C ATOM 1669 CG GLU A 108 23.623 -1.977 -0.019 1.00 0.87 C ATOM 1670 CD GLU A 108 23.910 -2.785 1.229 1.00 1.20 C ATOM 1671 OE1 GLU A 108 22.951 -3.275 1.860 1.00 1.66 O ATOM 1672 OE2 GLU A 108 25.098 -2.920 1.596 1.00 1.67 O ATOM 0 H GLU A 108 21.007 -3.461 -2.614 1.00 0.45 H new ATOM 0 HA GLU A 108 22.196 -0.899 -2.066 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.672 -2.751 -0.416 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.974 -3.680 -1.132 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.553 -1.806 -0.561 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.235 -0.999 0.265 1.00 0.87 H new