USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 541 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 27 ASN : amide:sc= -1.32 K(o=-2,f=-3.3!) USER MOD Set 1.2: A 30 GLN : amide:sc= -0.696 K(o=-2,f=-5.1) USER MOD Single : A 3 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 151:sc= -0.0538 (180deg=-0.671) USER MOD Single : A 13 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.12) USER MOD Single : A 14 MET CE :methyl -140:sc= -0.706 (180deg=-2.49!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 33:sc= 0.891 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0618) USER MOD Single : A 39 THR OG1 : rot 180:sc=0.000524 USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0893) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.853 K(o=-0.85,f=-3.1) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc=-0.00259 (180deg=-0.0975) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.6!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -7.352 -15.648 -7.465 1.00 55.30 N ATOM 2 CA PRO A 1 -6.490 -15.347 -6.319 1.00 1.15 C ATOM 3 C PRO A 1 -6.840 -14.015 -5.664 1.00 21.15 C ATOM 4 O PRO A 1 -7.618 -13.231 -6.207 1.00 34.14 O ATOM 5 CB PRO A 1 -5.090 -15.289 -6.934 1.00 4.41 C ATOM 6 CG PRO A 1 -5.318 -14.933 -8.362 1.00 50.24 C ATOM 7 CD PRO A 1 -6.626 -15.569 -8.743 1.00 71.15 C ATOM 0 H2 PRO A 1 -8.135 -14.995 -7.480 1.00 55.30 H new ATOM 0 H3 PRO A 1 -7.745 -16.583 -7.356 1.00 55.30 H new ATOM 0 HA PRO A 1 -6.592 -16.088 -5.527 1.00 1.15 H new ATOM 0 HB2 PRO A 1 -4.469 -14.545 -6.435 1.00 4.41 H new ATOM 0 HB3 PRO A 1 -4.577 -16.246 -6.842 1.00 4.41 H new ATOM 0 HG2 PRO A 1 -5.357 -13.852 -8.493 1.00 50.24 H new ATOM 0 HG3 PRO A 1 -4.507 -15.301 -8.990 1.00 50.24 H new ATOM 0 HD2 PRO A 1 -7.166 -14.969 -9.476 1.00 71.15 H new ATOM 0 HD3 PRO A 1 -6.480 -16.555 -9.184 1.00 71.15 H new ATOM 15 N ARG A 2 -6.260 -13.765 -4.494 1.00 64.52 N ATOM 16 CA ARG A 2 -6.511 -12.528 -3.765 1.00 72.31 C ATOM 17 C ARG A 2 -5.308 -11.593 -3.850 1.00 34.12 C ATOM 18 O ARG A 2 -5.346 -10.579 -4.546 1.00 22.42 O ATOM 19 CB ARG A 2 -6.833 -12.831 -2.301 1.00 13.24 C ATOM 20 CG ARG A 2 -8.310 -13.077 -2.040 1.00 74.12 C ATOM 21 CD ARG A 2 -8.804 -14.320 -2.765 1.00 12.43 C ATOM 22 NE ARG A 2 -8.176 -15.536 -2.256 1.00 11.12 N ATOM 23 CZ ARG A 2 -8.646 -16.757 -2.485 1.00 41.02 C ATOM 24 NH1 ARG A 2 -9.743 -16.923 -3.212 1.00 25.34 N ATOM 25 NH2 ARG A 2 -8.018 -17.815 -1.988 1.00 12.01 N ATOM 0 H ARG A 2 -5.613 -14.403 -4.031 1.00 64.52 H new ATOM 0 HA ARG A 2 -7.367 -12.033 -4.223 1.00 72.31 H new ATOM 0 HB2 ARG A 2 -6.266 -13.708 -1.987 1.00 13.24 H new ATOM 0 HB3 ARG A 2 -6.498 -11.997 -1.684 1.00 13.24 H new ATOM 0 HG2 ARG A 2 -8.478 -13.188 -0.969 1.00 74.12 H new ATOM 0 HG3 ARG A 2 -8.887 -12.211 -2.365 1.00 74.12 H new ATOM 0 HD2 ARG A 2 -9.886 -14.398 -2.656 1.00 12.43 H new ATOM 0 HD3 ARG A 2 -8.597 -14.224 -3.831 1.00 12.43 H new ATOM 0 HE ARG A 2 -7.330 -15.443 -1.694 1.00 11.12 H new ATOM 0 HH11 ARG A 2 -10.228 -16.112 -3.597 1.00 25.34 H new ATOM 0 HH12 ARG A 2 -10.102 -17.862 -3.387 1.00 25.34 H new ATOM 0 HH21 ARG A 2 -7.174 -17.691 -1.430 1.00 12.01 H new ATOM 0 HH22 ARG A 2 -8.380 -18.752 -2.164 1.00 12.01 H new ATOM 39 N ASN A 3 -4.243 -11.942 -3.136 1.00 10.43 N ATOM 40 CA ASN A 3 -3.029 -11.133 -3.129 1.00 54.12 C ATOM 41 C ASN A 3 -2.187 -11.407 -4.371 1.00 44.32 C ATOM 42 O ASN A 3 -1.533 -12.445 -4.476 1.00 33.41 O ATOM 43 CB ASN A 3 -2.209 -11.417 -1.870 1.00 22.34 C ATOM 44 CG ASN A 3 -2.651 -10.575 -0.689 1.00 12.51 C ATOM 45 OD1 ASN A 3 -1.898 -9.737 -0.193 1.00 44.31 O ATOM 46 ND2 ASN A 3 -3.879 -10.794 -0.233 1.00 1.32 N ATOM 0 H ASN A 3 -4.196 -12.779 -2.555 1.00 10.43 H new ATOM 0 HA ASN A 3 -3.321 -10.083 -3.134 1.00 54.12 H new ATOM 0 HB2 ASN A 3 -2.297 -12.473 -1.613 1.00 22.34 H new ATOM 0 HB3 ASN A 3 -1.156 -11.226 -2.075 1.00 22.34 H new ATOM 0 HD21 ASN A 3 -4.232 -10.257 0.559 1.00 1.32 H new ATOM 0 HD22 ASN A 3 -4.469 -11.499 -0.675 1.00 1.32 H new ATOM 53 N THR A 4 -2.205 -10.467 -5.312 1.00 34.05 N ATOM 54 CA THR A 4 -1.444 -10.606 -6.547 1.00 32.35 C ATOM 55 C THR A 4 0.050 -10.443 -6.293 1.00 10.21 C ATOM 56 O THR A 4 0.861 -11.234 -6.775 1.00 1.41 O ATOM 57 CB THR A 4 -1.890 -9.575 -7.601 1.00 32.44 C ATOM 58 OG1 THR A 4 -3.319 -9.554 -7.691 1.00 12.11 O ATOM 59 CG2 THR A 4 -1.296 -9.902 -8.962 1.00 61.13 C ATOM 0 H THR A 4 -2.739 -9.601 -5.241 1.00 34.05 H new ATOM 0 HA THR A 4 -1.638 -11.609 -6.927 1.00 32.35 H new ATOM 0 HB THR A 4 -1.531 -8.593 -7.292 1.00 32.44 H new ATOM 0 HG1 THR A 4 -3.595 -8.895 -8.362 1.00 12.11 H new ATOM 0 HG21 THR A 4 -1.625 -9.161 -9.690 1.00 61.13 H new ATOM 0 HG22 THR A 4 -0.208 -9.889 -8.897 1.00 61.13 H new ATOM 0 HG23 THR A 4 -1.629 -10.891 -9.276 1.00 61.13 H new ATOM 67 N ARG A 5 0.407 -9.413 -5.533 1.00 2.30 N ATOM 68 CA ARG A 5 1.805 -9.146 -5.216 1.00 10.32 C ATOM 69 C ARG A 5 2.478 -10.387 -4.637 1.00 71.14 C ATOM 70 O ARG A 5 3.681 -10.586 -4.803 1.00 31.03 O ATOM 71 CB ARG A 5 1.913 -7.986 -4.224 1.00 55.45 C ATOM 72 CG ARG A 5 2.002 -6.622 -4.890 1.00 71.01 C ATOM 73 CD ARG A 5 0.629 -6.107 -5.291 1.00 55.21 C ATOM 74 NE ARG A 5 -0.095 -5.538 -4.157 1.00 74.42 N ATOM 75 CZ ARG A 5 -1.275 -4.938 -4.265 1.00 75.10 C ATOM 76 NH1 ARG A 5 -1.862 -4.829 -5.449 1.00 43.02 N ATOM 77 NH2 ARG A 5 -1.872 -4.446 -3.187 1.00 2.13 N ATOM 0 H ARG A 5 -0.252 -8.750 -5.125 1.00 2.30 H new ATOM 0 HA ARG A 5 2.315 -8.874 -6.140 1.00 10.32 H new ATOM 0 HB2 ARG A 5 1.047 -8.002 -3.563 1.00 55.45 H new ATOM 0 HB3 ARG A 5 2.794 -8.134 -3.599 1.00 55.45 H new ATOM 0 HG2 ARG A 5 2.473 -5.913 -4.209 1.00 71.01 H new ATOM 0 HG3 ARG A 5 2.639 -6.687 -5.772 1.00 71.01 H new ATOM 0 HD2 ARG A 5 0.738 -5.350 -6.068 1.00 55.21 H new ATOM 0 HD3 ARG A 5 0.047 -6.923 -5.720 1.00 55.21 H new ATOM 0 HE ARG A 5 0.329 -5.605 -3.232 1.00 74.42 H new ATOM 0 HH11 ARG A 5 -1.407 -5.207 -6.280 1.00 43.02 H new ATOM 0 HH12 ARG A 5 -2.768 -4.368 -5.528 1.00 43.02 H new ATOM 0 HH21 ARG A 5 -1.425 -4.528 -2.274 1.00 2.13 H new ATOM 0 HH22 ARG A 5 -2.778 -3.985 -3.271 1.00 2.13 H new ATOM 91 N GLU A 6 1.693 -11.218 -3.959 1.00 14.34 N ATOM 92 CA GLU A 6 2.214 -12.438 -3.355 1.00 33.51 C ATOM 93 C GLU A 6 3.592 -12.199 -2.746 1.00 3.21 C ATOM 94 O GLU A 6 4.493 -13.028 -2.875 1.00 1.12 O ATOM 95 CB GLU A 6 2.292 -13.556 -4.397 1.00 32.20 C ATOM 96 CG GLU A 6 3.259 -13.264 -5.532 1.00 4.05 C ATOM 97 CD GLU A 6 3.660 -14.513 -6.293 1.00 2.24 C ATOM 98 OE1 GLU A 6 2.820 -15.430 -6.411 1.00 44.42 O ATOM 99 OE2 GLU A 6 4.813 -14.574 -6.769 1.00 53.42 O ATOM 0 H GLU A 6 0.694 -11.069 -3.814 1.00 14.34 H new ATOM 0 HA GLU A 6 1.532 -12.739 -2.560 1.00 33.51 H new ATOM 0 HB2 GLU A 6 2.592 -14.480 -3.904 1.00 32.20 H new ATOM 0 HB3 GLU A 6 1.298 -13.724 -4.812 1.00 32.20 H new ATOM 0 HG2 GLU A 6 2.801 -12.555 -6.221 1.00 4.05 H new ATOM 0 HG3 GLU A 6 4.152 -12.786 -5.129 1.00 4.05 H new ATOM 106 N VAL A 7 3.749 -11.058 -2.082 1.00 42.21 N ATOM 107 CA VAL A 7 5.017 -10.708 -1.452 1.00 52.24 C ATOM 108 C VAL A 7 5.531 -11.849 -0.582 1.00 3.44 C ATOM 109 O VAL A 7 6.738 -12.065 -0.472 1.00 44.14 O ATOM 110 CB VAL A 7 4.884 -9.438 -0.590 1.00 74.43 C ATOM 111 CG1 VAL A 7 6.214 -9.093 0.061 1.00 61.01 C ATOM 112 CG2 VAL A 7 4.374 -8.276 -1.429 1.00 73.32 C ATOM 0 H VAL A 7 3.014 -10.360 -1.966 1.00 42.21 H new ATOM 0 HA VAL A 7 5.729 -10.519 -2.256 1.00 52.24 H new ATOM 0 HB VAL A 7 4.159 -9.631 0.201 1.00 74.43 H new ATOM 0 HG11 VAL A 7 6.101 -8.193 0.666 1.00 61.01 H new ATOM 0 HG12 VAL A 7 6.533 -9.919 0.696 1.00 61.01 H new ATOM 0 HG13 VAL A 7 6.963 -8.919 -0.712 1.00 61.01 H new ATOM 0 HG21 VAL A 7 4.286 -7.387 -0.804 1.00 73.32 H new ATOM 0 HG22 VAL A 7 5.073 -8.080 -2.242 1.00 73.32 H new ATOM 0 HG23 VAL A 7 3.397 -8.527 -1.843 1.00 73.32 H new ATOM 122 N PHE A 8 4.607 -12.577 0.037 1.00 44.33 N ATOM 123 CA PHE A 8 4.967 -13.696 0.899 1.00 22.21 C ATOM 124 C PHE A 8 5.499 -14.867 0.077 1.00 2.33 C ATOM 125 O PHE A 8 6.435 -15.552 0.487 1.00 5.04 O ATOM 126 CB PHE A 8 3.757 -14.144 1.721 1.00 53.01 C ATOM 127 CG PHE A 8 4.090 -15.163 2.773 1.00 70.35 C ATOM 128 CD1 PHE A 8 4.564 -14.769 4.013 1.00 4.30 C ATOM 129 CD2 PHE A 8 3.929 -16.516 2.520 1.00 23.22 C ATOM 130 CE1 PHE A 8 4.872 -15.704 4.983 1.00 32.11 C ATOM 131 CE2 PHE A 8 4.235 -17.456 3.486 1.00 35.15 C ATOM 132 CZ PHE A 8 4.708 -17.050 4.719 1.00 55.30 C ATOM 0 H PHE A 8 3.604 -12.412 -0.043 1.00 44.33 H new ATOM 0 HA PHE A 8 5.754 -13.362 1.575 1.00 22.21 H new ATOM 0 HB2 PHE A 8 3.310 -13.272 2.199 1.00 53.01 H new ATOM 0 HB3 PHE A 8 3.005 -14.559 1.050 1.00 53.01 H new ATOM 0 HD1 PHE A 8 4.695 -13.718 4.225 1.00 4.30 H new ATOM 0 HD2 PHE A 8 3.560 -16.839 1.558 1.00 23.22 H new ATOM 0 HE1 PHE A 8 5.240 -15.383 5.946 1.00 32.11 H new ATOM 0 HE2 PHE A 8 4.104 -18.508 3.277 1.00 35.15 H new ATOM 0 HZ PHE A 8 4.949 -17.783 5.475 1.00 55.30 H new ATOM 142 N ALA A 9 4.894 -15.089 -1.085 1.00 22.31 N ATOM 143 CA ALA A 9 5.307 -16.175 -1.965 1.00 61.14 C ATOM 144 C ALA A 9 6.595 -15.825 -2.702 1.00 43.44 C ATOM 145 O ALA A 9 7.346 -16.709 -3.112 1.00 23.30 O ATOM 146 CB ALA A 9 4.200 -16.499 -2.958 1.00 25.51 C ATOM 0 H ALA A 9 4.117 -14.531 -1.439 1.00 22.31 H new ATOM 0 HA ALA A 9 5.499 -17.055 -1.351 1.00 61.14 H new ATOM 0 HB1 ALA A 9 4.522 -17.312 -3.609 1.00 25.51 H new ATOM 0 HB2 ALA A 9 3.303 -16.801 -2.417 1.00 25.51 H new ATOM 0 HB3 ALA A 9 3.981 -15.617 -3.560 1.00 25.51 H new ATOM 152 N GLN A 10 6.843 -14.529 -2.868 1.00 24.43 N ATOM 153 CA GLN A 10 8.041 -14.063 -3.557 1.00 73.31 C ATOM 154 C GLN A 10 9.298 -14.638 -2.913 1.00 61.44 C ATOM 155 O GLN A 10 10.330 -14.787 -3.567 1.00 64.24 O ATOM 156 CB GLN A 10 8.100 -12.535 -3.544 1.00 1.11 C ATOM 157 CG GLN A 10 7.110 -11.879 -4.493 1.00 62.43 C ATOM 158 CD GLN A 10 7.531 -10.481 -4.901 1.00 33.03 C ATOM 159 OE1 GLN A 10 7.749 -10.205 -6.081 1.00 12.13 O ATOM 160 NE2 GLN A 10 7.647 -9.589 -3.924 1.00 33.23 N ATOM 0 H GLN A 10 6.231 -13.784 -2.535 1.00 24.43 H new ATOM 0 HA GLN A 10 7.994 -14.409 -4.590 1.00 73.31 H new ATOM 0 HB2 GLN A 10 7.908 -12.181 -2.531 1.00 1.11 H new ATOM 0 HB3 GLN A 10 9.109 -12.217 -3.808 1.00 1.11 H new ATOM 0 HG2 GLN A 10 7.003 -12.497 -5.385 1.00 62.43 H new ATOM 0 HG3 GLN A 10 6.131 -11.835 -4.017 1.00 62.43 H new ATOM 0 HE21 GLN A 10 7.456 -9.861 -2.960 1.00 33.23 H new ATOM 0 HE22 GLN A 10 7.927 -8.632 -4.138 1.00 33.23 H new ATOM 169 N VAL A 11 9.204 -14.960 -1.627 1.00 3.00 N ATOM 170 CA VAL A 11 10.334 -15.520 -0.895 1.00 0.54 C ATOM 171 C VAL A 11 10.908 -16.735 -1.614 1.00 35.21 C ATOM 172 O VAL A 11 12.098 -17.031 -1.505 1.00 34.23 O ATOM 173 CB VAL A 11 9.930 -15.926 0.535 1.00 2.02 C ATOM 174 CG1 VAL A 11 9.344 -14.738 1.283 1.00 71.03 C ATOM 175 CG2 VAL A 11 8.944 -17.084 0.501 1.00 65.10 C ATOM 0 H VAL A 11 8.357 -14.843 -1.071 1.00 3.00 H new ATOM 0 HA VAL A 11 11.094 -14.741 -0.843 1.00 0.54 H new ATOM 0 HB VAL A 11 10.823 -16.254 1.067 1.00 2.02 H new ATOM 0 HG11 VAL A 11 9.065 -15.045 2.291 1.00 71.03 H new ATOM 0 HG12 VAL A 11 10.086 -13.941 1.338 1.00 71.03 H new ATOM 0 HG13 VAL A 11 8.461 -14.376 0.756 1.00 71.03 H new ATOM 0 HG21 VAL A 11 8.669 -17.358 1.520 1.00 65.10 H new ATOM 0 HG22 VAL A 11 8.051 -16.785 -0.048 1.00 65.10 H new ATOM 0 HG23 VAL A 11 9.404 -17.940 0.007 1.00 65.10 H new ATOM 185 N LYS A 12 10.053 -17.437 -2.351 1.00 23.12 N ATOM 186 CA LYS A 12 10.474 -18.621 -3.091 1.00 53.21 C ATOM 187 C LYS A 12 11.372 -18.239 -4.263 1.00 53.14 C ATOM 188 O LYS A 12 12.414 -18.855 -4.484 1.00 2.31 O ATOM 189 CB LYS A 12 9.252 -19.390 -3.600 1.00 4.12 C ATOM 190 CG LYS A 12 9.580 -20.782 -4.111 1.00 31.20 C ATOM 191 CD LYS A 12 8.592 -21.233 -5.174 1.00 11.22 C ATOM 192 CE LYS A 12 7.251 -21.611 -4.564 1.00 11.13 C ATOM 193 NZ LYS A 12 6.360 -20.428 -4.405 1.00 62.03 N ATOM 0 H LYS A 12 9.065 -17.206 -2.452 1.00 23.12 H new ATOM 0 HA LYS A 12 11.042 -19.260 -2.414 1.00 53.21 H new ATOM 0 HB2 LYS A 12 8.522 -19.470 -2.794 1.00 4.12 H new ATOM 0 HB3 LYS A 12 8.782 -18.819 -4.401 1.00 4.12 H new ATOM 0 HG2 LYS A 12 10.589 -20.791 -4.524 1.00 31.20 H new ATOM 0 HG3 LYS A 12 9.569 -21.487 -3.280 1.00 31.20 H new ATOM 0 HD2 LYS A 12 8.450 -20.434 -5.902 1.00 11.22 H new ATOM 0 HD3 LYS A 12 9.001 -22.087 -5.714 1.00 11.22 H new ATOM 0 HE2 LYS A 12 6.761 -22.352 -5.195 1.00 11.13 H new ATOM 0 HE3 LYS A 12 7.413 -22.077 -3.592 1.00 11.13 H new ATOM 0 HZ1 LYS A 12 5.367 -20.730 -4.469 1.00 62.03 H new ATOM 0 HZ2 LYS A 12 6.529 -19.988 -3.478 1.00 62.03 H new ATOM 0 HZ3 LYS A 12 6.561 -19.738 -5.157 1.00 62.03 H new ATOM 207 N GLN A 13 10.961 -17.219 -5.010 1.00 75.44 N ATOM 208 CA GLN A 13 11.729 -16.756 -6.159 1.00 43.14 C ATOM 209 C GLN A 13 13.163 -16.425 -5.757 1.00 53.54 C ATOM 210 O GLN A 13 14.101 -16.660 -6.518 1.00 70.21 O ATOM 211 CB GLN A 13 11.065 -15.527 -6.782 1.00 73.13 C ATOM 212 CG GLN A 13 9.717 -15.822 -7.421 1.00 64.55 C ATOM 213 CD GLN A 13 9.845 -16.586 -8.725 1.00 33.11 C ATOM 214 OE1 GLN A 13 10.582 -16.182 -9.625 1.00 31.52 O ATOM 215 NE2 GLN A 13 9.125 -17.697 -8.833 1.00 42.12 N ATOM 0 H GLN A 13 10.101 -16.698 -4.840 1.00 75.44 H new ATOM 0 HA GLN A 13 11.753 -17.559 -6.896 1.00 43.14 H new ATOM 0 HB2 GLN A 13 10.934 -14.766 -6.013 1.00 73.13 H new ATOM 0 HB3 GLN A 13 11.731 -15.107 -7.536 1.00 73.13 H new ATOM 0 HG2 GLN A 13 9.107 -16.398 -6.725 1.00 64.55 H new ATOM 0 HG3 GLN A 13 9.192 -14.884 -7.604 1.00 64.55 H new ATOM 0 HE21 GLN A 13 8.527 -17.994 -8.062 1.00 42.12 H new ATOM 0 HE22 GLN A 13 9.170 -18.253 -9.687 1.00 42.12 H new ATOM 224 N MET A 14 13.324 -15.876 -4.558 1.00 31.45 N ATOM 225 CA MET A 14 14.644 -15.513 -4.055 1.00 33.44 C ATOM 226 C MET A 14 15.596 -16.704 -4.118 1.00 12.52 C ATOM 227 O MET A 14 15.178 -17.853 -3.977 1.00 71.12 O ATOM 228 CB MET A 14 14.542 -15.002 -2.616 1.00 62.42 C ATOM 229 CG MET A 14 15.685 -14.084 -2.215 1.00 65.52 C ATOM 230 SD MET A 14 15.467 -12.399 -2.818 1.00 64.32 S ATOM 231 CE MET A 14 16.375 -12.472 -4.361 1.00 14.42 C ATOM 0 H MET A 14 12.557 -15.673 -3.917 1.00 31.45 H new ATOM 0 HA MET A 14 15.041 -14.719 -4.688 1.00 33.44 H new ATOM 0 HB2 MET A 14 13.599 -14.469 -2.494 1.00 62.42 H new ATOM 0 HB3 MET A 14 14.516 -15.855 -1.937 1.00 62.42 H new ATOM 0 HG2 MET A 14 15.769 -14.069 -1.128 1.00 65.52 H new ATOM 0 HG3 MET A 14 16.621 -14.486 -2.602 1.00 65.52 H new ATOM 0 HE1 MET A 14 16.936 -11.548 -4.497 1.00 14.42 H new ATOM 0 HE2 MET A 14 17.065 -13.315 -4.338 1.00 14.42 H new ATOM 0 HE3 MET A 14 15.677 -12.597 -5.189 1.00 14.42 H new ATOM 241 N TYR A 15 16.876 -16.420 -4.330 1.00 61.43 N ATOM 242 CA TYR A 15 17.887 -17.468 -4.415 1.00 34.12 C ATOM 243 C TYR A 15 18.592 -17.654 -3.075 1.00 3.30 C ATOM 244 O TYR A 15 19.808 -17.841 -3.020 1.00 71.52 O ATOM 245 CB TYR A 15 18.910 -17.132 -5.501 1.00 22.03 C ATOM 246 CG TYR A 15 19.737 -18.319 -5.942 1.00 13.21 C ATOM 247 CD1 TYR A 15 21.123 -18.243 -5.997 1.00 0.32 C ATOM 248 CD2 TYR A 15 19.132 -19.516 -6.305 1.00 14.33 C ATOM 249 CE1 TYR A 15 21.882 -19.324 -6.400 1.00 24.11 C ATOM 250 CE2 TYR A 15 19.883 -20.603 -6.708 1.00 10.54 C ATOM 251 CZ TYR A 15 21.258 -20.502 -6.754 1.00 12.22 C ATOM 252 OH TYR A 15 22.010 -21.582 -7.156 1.00 13.10 O ATOM 0 H TYR A 15 17.238 -15.474 -4.446 1.00 61.43 H new ATOM 0 HA TYR A 15 17.386 -18.401 -4.674 1.00 34.12 H new ATOM 0 HB2 TYR A 15 18.388 -16.722 -6.366 1.00 22.03 H new ATOM 0 HB3 TYR A 15 19.576 -16.352 -5.132 1.00 22.03 H new ATOM 0 HD1 TYR A 15 21.615 -17.323 -5.720 1.00 0.32 H new ATOM 0 HD2 TYR A 15 18.056 -19.598 -6.271 1.00 14.33 H new ATOM 0 HE1 TYR A 15 22.959 -19.247 -6.438 1.00 24.11 H new ATOM 0 HE2 TYR A 15 19.397 -21.526 -6.985 1.00 10.54 H new ATOM 0 HH TYR A 15 21.417 -22.333 -7.369 1.00 13.10 H new ATOM 262 N LYS A 16 17.820 -17.600 -1.995 1.00 23.31 N ATOM 263 CA LYS A 16 18.368 -17.764 -0.654 1.00 30.15 C ATOM 264 C LYS A 16 19.063 -19.114 -0.511 1.00 20.43 C ATOM 265 O LYS A 16 18.455 -20.095 -0.080 1.00 63.33 O ATOM 266 CB LYS A 16 17.258 -17.637 0.392 1.00 13.00 C ATOM 267 CG LYS A 16 17.761 -17.236 1.768 1.00 51.11 C ATOM 268 CD LYS A 16 16.665 -17.343 2.815 1.00 3.03 C ATOM 269 CE LYS A 16 16.383 -18.792 3.180 1.00 31.23 C ATOM 270 NZ LYS A 16 15.418 -18.902 4.309 1.00 2.05 N ATOM 0 H LYS A 16 16.812 -17.444 -2.022 1.00 23.31 H new ATOM 0 HA LYS A 16 19.104 -16.977 -0.491 1.00 30.15 H new ATOM 0 HB2 LYS A 16 16.532 -16.899 0.051 1.00 13.00 H new ATOM 0 HB3 LYS A 16 16.733 -18.589 0.470 1.00 13.00 H new ATOM 0 HG2 LYS A 16 18.599 -17.874 2.050 1.00 51.11 H new ATOM 0 HG3 LYS A 16 18.136 -16.213 1.736 1.00 51.11 H new ATOM 0 HD2 LYS A 16 16.959 -16.792 3.708 1.00 3.03 H new ATOM 0 HD3 LYS A 16 15.754 -16.878 2.439 1.00 3.03 H new ATOM 0 HE2 LYS A 16 15.985 -19.315 2.310 1.00 31.23 H new ATOM 0 HE3 LYS A 16 17.316 -19.287 3.450 1.00 31.23 H new ATOM 0 HZ1 LYS A 16 15.252 -19.905 4.527 1.00 2.05 H new ATOM 0 HZ2 LYS A 16 15.808 -18.425 5.147 1.00 2.05 H new ATOM 0 HZ3 LYS A 16 14.519 -18.453 4.042 1.00 2.05 H new ATOM 284 N THR A 17 20.341 -19.158 -0.873 1.00 64.33 N ATOM 285 CA THR A 17 21.119 -20.388 -0.785 1.00 50.23 C ATOM 286 C THR A 17 22.527 -20.112 -0.272 1.00 5.13 C ATOM 287 O THR A 17 23.513 -20.661 -0.765 1.00 52.45 O ATOM 288 CB THR A 17 21.212 -21.093 -2.152 1.00 11.23 C ATOM 289 OG1 THR A 17 20.003 -20.889 -2.891 1.00 72.12 O ATOM 290 CG2 THR A 17 21.460 -22.583 -1.976 1.00 31.32 C ATOM 0 H THR A 17 20.860 -18.356 -1.230 1.00 64.33 H new ATOM 0 HA THR A 17 20.600 -21.040 -0.082 1.00 50.23 H new ATOM 0 HB THR A 17 22.050 -20.664 -2.702 1.00 11.23 H new ATOM 0 HG1 THR A 17 20.070 -21.339 -3.759 1.00 72.12 H new ATOM 0 HG21 THR A 17 21.522 -23.060 -2.954 1.00 31.32 H new ATOM 0 HG22 THR A 17 22.396 -22.735 -1.438 1.00 31.32 H new ATOM 0 HG23 THR A 17 20.640 -23.024 -1.409 1.00 31.32 H new ATOM 298 N PRO A 18 22.628 -19.242 0.744 1.00 11.12 N ATOM 299 CA PRO A 18 23.912 -18.875 1.348 1.00 43.42 C ATOM 300 C PRO A 18 24.529 -20.022 2.140 1.00 5.25 C ATOM 301 O PRO A 18 24.400 -20.086 3.363 1.00 35.44 O ATOM 302 CB PRO A 18 23.548 -17.716 2.280 1.00 70.14 C ATOM 303 CG PRO A 18 22.110 -17.931 2.607 1.00 44.45 C ATOM 304 CD PRO A 18 21.495 -18.550 1.382 1.00 23.12 C ATOM 0 HA PRO A 18 24.657 -18.617 0.595 1.00 43.42 H new ATOM 0 HB2 PRO A 18 24.164 -17.723 3.179 1.00 70.14 H new ATOM 0 HB3 PRO A 18 23.704 -16.753 1.794 1.00 70.14 H new ATOM 0 HG2 PRO A 18 22.000 -18.585 3.472 1.00 44.45 H new ATOM 0 HG3 PRO A 18 21.621 -16.989 2.856 1.00 44.45 H new ATOM 0 HD2 PRO A 18 20.695 -19.243 1.641 1.00 23.12 H new ATOM 0 HD3 PRO A 18 21.063 -17.796 0.724 1.00 23.12 H new ATOM 312 N THR A 19 25.203 -20.927 1.437 1.00 54.35 N ATOM 313 CA THR A 19 25.839 -22.072 2.074 1.00 25.03 C ATOM 314 C THR A 19 27.187 -22.381 1.431 1.00 13.43 C ATOM 315 O THR A 19 27.330 -22.327 0.209 1.00 74.30 O ATOM 316 CB THR A 19 24.948 -23.326 1.998 1.00 54.54 C ATOM 317 OG1 THR A 19 25.549 -24.400 2.729 1.00 54.11 O ATOM 318 CG2 THR A 19 24.731 -23.748 0.552 1.00 10.13 C ATOM 0 H THR A 19 25.322 -20.888 0.425 1.00 54.35 H new ATOM 0 HA THR A 19 25.990 -21.806 3.120 1.00 25.03 H new ATOM 0 HB THR A 19 23.981 -23.085 2.439 1.00 54.54 H new ATOM 0 HG1 THR A 19 24.975 -25.193 2.677 1.00 54.11 H new ATOM 0 HG21 THR A 19 24.099 -24.636 0.523 1.00 10.13 H new ATOM 0 HG22 THR A 19 24.246 -22.939 0.006 1.00 10.13 H new ATOM 0 HG23 THR A 19 25.693 -23.972 0.090 1.00 10.13 H new ATOM 326 N LEU A 20 28.173 -22.704 2.261 1.00 75.22 N ATOM 327 CA LEU A 20 29.510 -23.023 1.773 1.00 52.34 C ATOM 328 C LEU A 20 29.984 -24.365 2.320 1.00 72.33 C ATOM 329 O LEU A 20 30.740 -24.421 3.290 1.00 51.12 O ATOM 330 CB LEU A 20 30.495 -21.921 2.169 1.00 74.33 C ATOM 331 CG LEU A 20 31.795 -21.863 1.366 1.00 31.24 C ATOM 332 CD1 LEU A 20 31.552 -21.241 0.000 1.00 12.02 C ATOM 333 CD2 LEU A 20 32.857 -21.084 2.128 1.00 41.20 C ATOM 0 H LEU A 20 28.072 -22.752 3.275 1.00 75.22 H new ATOM 0 HA LEU A 20 29.467 -23.090 0.686 1.00 52.34 H new ATOM 0 HB2 LEU A 20 29.990 -20.959 2.075 1.00 74.33 H new ATOM 0 HB3 LEU A 20 30.747 -22.048 3.222 1.00 74.33 H new ATOM 0 HG LEU A 20 32.155 -22.881 1.219 1.00 31.24 H new ATOM 0 HD11 LEU A 20 32.489 -21.208 -0.557 1.00 12.02 H new ATOM 0 HD12 LEU A 20 30.825 -21.840 -0.548 1.00 12.02 H new ATOM 0 HD13 LEU A 20 31.168 -20.228 0.124 1.00 12.02 H new ATOM 0 HD21 LEU A 20 33.776 -21.053 1.542 1.00 41.20 H new ATOM 0 HD22 LEU A 20 32.505 -20.068 2.306 1.00 41.20 H new ATOM 0 HD23 LEU A 20 33.052 -21.573 3.083 1.00 41.20 H new ATOM 345 N LYS A 21 29.536 -25.446 1.690 1.00 61.31 N ATOM 346 CA LYS A 21 29.916 -26.790 2.110 1.00 4.32 C ATOM 347 C LYS A 21 31.207 -27.229 1.426 1.00 1.22 C ATOM 348 O LYS A 21 31.609 -28.389 1.523 1.00 12.42 O ATOM 349 CB LYS A 21 28.795 -27.782 1.793 1.00 64.02 C ATOM 350 CG LYS A 21 27.752 -27.893 2.891 1.00 23.03 C ATOM 351 CD LYS A 21 26.619 -28.823 2.492 1.00 11.11 C ATOM 352 CE LYS A 21 25.408 -28.646 3.396 1.00 42.13 C ATOM 353 NZ LYS A 21 24.532 -29.850 3.392 1.00 63.23 N ATOM 0 H LYS A 21 28.909 -25.417 0.886 1.00 61.31 H new ATOM 0 HA LYS A 21 30.084 -26.773 3.187 1.00 4.32 H new ATOM 0 HB2 LYS A 21 28.305 -27.480 0.867 1.00 64.02 H new ATOM 0 HB3 LYS A 21 29.231 -28.765 1.617 1.00 64.02 H new ATOM 0 HG2 LYS A 21 28.221 -28.260 3.804 1.00 23.03 H new ATOM 0 HG3 LYS A 21 27.351 -26.904 3.114 1.00 23.03 H new ATOM 0 HD2 LYS A 21 26.334 -28.628 1.458 1.00 11.11 H new ATOM 0 HD3 LYS A 21 26.962 -29.857 2.539 1.00 11.11 H new ATOM 0 HE2 LYS A 21 25.741 -28.443 4.414 1.00 42.13 H new ATOM 0 HE3 LYS A 21 24.835 -27.779 3.069 1.00 42.13 H new ATOM 0 HZ1 LYS A 21 23.719 -29.690 4.020 1.00 63.23 H new ATOM 0 HZ2 LYS A 21 24.193 -30.030 2.425 1.00 63.23 H new ATOM 0 HZ3 LYS A 21 25.072 -30.673 3.728 1.00 63.23 H new ATOM 367 N TYR A 22 31.853 -26.295 0.736 1.00 32.25 N ATOM 368 CA TYR A 22 33.098 -26.587 0.036 1.00 51.43 C ATOM 369 C TYR A 22 34.127 -27.195 0.984 1.00 41.53 C ATOM 370 O TYR A 22 35.017 -27.933 0.562 1.00 62.14 O ATOM 371 CB TYR A 22 33.661 -25.313 -0.598 1.00 20.32 C ATOM 372 CG TYR A 22 33.047 -24.982 -1.939 1.00 40.31 C ATOM 373 CD1 TYR A 22 33.770 -25.142 -3.115 1.00 21.22 C ATOM 374 CD2 TYR A 22 31.745 -24.507 -2.031 1.00 35.00 C ATOM 375 CE1 TYR A 22 33.214 -24.840 -4.343 1.00 13.14 C ATOM 376 CE2 TYR A 22 31.179 -24.204 -3.254 1.00 45.44 C ATOM 377 CZ TYR A 22 31.918 -24.371 -4.407 1.00 70.42 C ATOM 378 OH TYR A 22 31.359 -24.069 -5.628 1.00 2.12 O ATOM 0 H TYR A 22 31.535 -25.330 0.647 1.00 32.25 H new ATOM 0 HA TYR A 22 32.883 -27.312 -0.749 1.00 51.43 H new ATOM 0 HB2 TYR A 22 33.500 -24.477 0.082 1.00 20.32 H new ATOM 0 HB3 TYR A 22 34.739 -25.423 -0.718 1.00 20.32 H new ATOM 0 HD1 TYR A 22 34.785 -25.509 -3.068 1.00 21.22 H new ATOM 0 HD2 TYR A 22 31.165 -24.372 -1.130 1.00 35.00 H new ATOM 0 HE1 TYR A 22 33.790 -24.970 -5.247 1.00 13.14 H new ATOM 0 HE2 TYR A 22 30.164 -23.839 -3.307 1.00 45.44 H new ATOM 0 HH TYR A 22 30.441 -23.753 -5.498 1.00 2.12 H new ATOM 388 N PHE A 23 33.998 -26.879 2.268 1.00 0.30 N ATOM 389 CA PHE A 23 34.916 -27.393 3.278 1.00 42.43 C ATOM 390 C PHE A 23 34.682 -28.881 3.518 1.00 23.22 C ATOM 391 O PHE A 23 35.609 -29.622 3.843 1.00 43.11 O ATOM 392 CB PHE A 23 34.751 -26.621 4.588 1.00 13.43 C ATOM 393 CG PHE A 23 33.544 -27.036 5.380 1.00 11.23 C ATOM 394 CD1 PHE A 23 33.679 -27.827 6.509 1.00 34.35 C ATOM 395 CD2 PHE A 23 32.275 -26.635 4.995 1.00 13.12 C ATOM 396 CE1 PHE A 23 32.570 -28.211 7.241 1.00 42.21 C ATOM 397 CE2 PHE A 23 31.163 -27.015 5.723 1.00 52.02 C ATOM 398 CZ PHE A 23 31.311 -27.805 6.846 1.00 15.12 C ATOM 0 H PHE A 23 33.267 -26.269 2.634 1.00 0.30 H new ATOM 0 HA PHE A 23 35.933 -27.258 2.911 1.00 42.43 H new ATOM 0 HB2 PHE A 23 35.643 -26.762 5.199 1.00 13.43 H new ATOM 0 HB3 PHE A 23 34.682 -25.556 4.367 1.00 13.43 H new ATOM 0 HD1 PHE A 23 34.662 -28.148 6.821 1.00 34.35 H new ATOM 0 HD2 PHE A 23 32.153 -26.019 4.116 1.00 13.12 H new ATOM 0 HE1 PHE A 23 32.689 -28.827 8.120 1.00 42.21 H new ATOM 0 HE2 PHE A 23 30.179 -26.694 5.414 1.00 52.02 H new ATOM 0 HZ PHE A 23 30.443 -28.105 7.414 1.00 15.12 H new ATOM 408 N GLY A 24 33.435 -29.312 3.357 1.00 53.04 N ATOM 409 CA GLY A 24 33.100 -30.709 3.561 1.00 62.34 C ATOM 410 C GLY A 24 33.038 -31.486 2.261 1.00 71.44 C ATOM 411 O GLY A 24 32.235 -31.176 1.382 1.00 73.51 O ATOM 0 H GLY A 24 32.650 -28.718 3.089 1.00 53.04 H new ATOM 0 HA2 GLY A 24 33.841 -31.165 4.218 1.00 62.34 H new ATOM 0 HA3 GLY A 24 32.138 -30.778 4.068 1.00 62.34 H new ATOM 415 N GLY A 25 33.890 -32.499 2.137 1.00 64.42 N ATOM 416 CA GLY A 25 33.914 -33.306 0.931 1.00 53.04 C ATOM 417 C GLY A 25 35.079 -34.275 0.903 1.00 4.54 C ATOM 418 O GLY A 25 35.725 -34.451 -0.130 1.00 22.22 O ATOM 0 H GLY A 25 34.564 -32.775 2.851 1.00 64.42 H new ATOM 0 HA2 GLY A 25 32.980 -33.863 0.852 1.00 53.04 H new ATOM 0 HA3 GLY A 25 33.969 -32.652 0.061 1.00 53.04 H new ATOM 422 N PHE A 26 35.351 -34.903 2.042 1.00 22.03 N ATOM 423 CA PHE A 26 36.449 -35.857 2.146 1.00 62.01 C ATOM 424 C PHE A 26 35.931 -37.291 2.092 1.00 74.14 C ATOM 425 O PHE A 26 34.882 -37.605 2.653 1.00 1.23 O ATOM 426 CB PHE A 26 37.227 -35.633 3.444 1.00 10.23 C ATOM 427 CG PHE A 26 37.687 -34.215 3.630 1.00 30.24 C ATOM 428 CD1 PHE A 26 38.314 -33.535 2.599 1.00 61.31 C ATOM 429 CD2 PHE A 26 37.493 -33.563 4.837 1.00 14.32 C ATOM 430 CE1 PHE A 26 38.738 -32.231 2.767 1.00 43.54 C ATOM 431 CE2 PHE A 26 37.914 -32.258 5.011 1.00 43.13 C ATOM 432 CZ PHE A 26 38.539 -31.591 3.975 1.00 70.54 C ATOM 0 H PHE A 26 34.826 -34.768 2.906 1.00 22.03 H new ATOM 0 HA PHE A 26 37.116 -35.698 1.299 1.00 62.01 H new ATOM 0 HB2 PHE A 26 36.599 -35.916 4.288 1.00 10.23 H new ATOM 0 HB3 PHE A 26 38.095 -36.293 3.457 1.00 10.23 H new ATOM 0 HD1 PHE A 26 38.473 -34.030 1.652 1.00 61.31 H new ATOM 0 HD2 PHE A 26 37.007 -34.080 5.651 1.00 14.32 H new ATOM 0 HE1 PHE A 26 39.225 -31.712 1.954 1.00 43.54 H new ATOM 0 HE2 PHE A 26 37.755 -31.760 5.956 1.00 43.13 H new ATOM 0 HZ PHE A 26 38.871 -30.572 4.109 1.00 70.54 H new ATOM 442 N ASN A 27 36.674 -38.157 1.410 1.00 34.21 N ATOM 443 CA ASN A 27 36.289 -39.558 1.281 1.00 61.13 C ATOM 444 C ASN A 27 37.407 -40.476 1.766 1.00 33.13 C ATOM 445 O ASN A 27 38.176 -41.012 0.968 1.00 51.41 O ATOM 446 CB ASN A 27 35.944 -39.881 -0.174 1.00 63.55 C ATOM 447 CG ASN A 27 36.961 -39.318 -1.148 1.00 62.55 C ATOM 448 OD1 ASN A 27 38.121 -39.101 -0.796 1.00 55.10 O ATOM 449 ND2 ASN A 27 36.530 -39.079 -2.381 1.00 71.55 N ATOM 0 H ASN A 27 37.545 -37.914 0.939 1.00 34.21 H new ATOM 0 HA ASN A 27 35.409 -39.726 1.902 1.00 61.13 H new ATOM 0 HB2 ASN A 27 35.885 -40.962 -0.299 1.00 63.55 H new ATOM 0 HB3 ASN A 27 34.959 -39.479 -0.409 1.00 63.55 H new ATOM 0 HD21 ASN A 27 37.169 -38.701 -3.080 1.00 71.55 H new ATOM 0 HD22 ASN A 27 35.560 -39.274 -2.629 1.00 71.55 H new ATOM 456 N PHE A 28 37.490 -40.654 3.081 1.00 50.34 N ATOM 457 CA PHE A 28 38.513 -41.507 3.674 1.00 44.45 C ATOM 458 C PHE A 28 38.315 -42.962 3.260 1.00 42.01 C ATOM 459 O PHE A 28 39.261 -43.749 3.246 1.00 24.14 O ATOM 460 CB PHE A 28 38.484 -41.390 5.199 1.00 41.32 C ATOM 461 CG PHE A 28 37.131 -41.656 5.795 1.00 63.14 C ATOM 462 CD1 PHE A 28 36.687 -42.955 5.985 1.00 40.42 C ATOM 463 CD2 PHE A 28 36.304 -40.608 6.164 1.00 53.01 C ATOM 464 CE1 PHE A 28 35.443 -43.203 6.533 1.00 32.41 C ATOM 465 CE2 PHE A 28 35.059 -40.851 6.713 1.00 51.40 C ATOM 466 CZ PHE A 28 34.627 -42.150 6.897 1.00 43.23 C ATOM 0 H PHE A 28 36.861 -40.219 3.756 1.00 50.34 H new ATOM 0 HA PHE A 28 39.485 -41.173 3.310 1.00 44.45 H new ATOM 0 HB2 PHE A 28 39.203 -42.091 5.623 1.00 41.32 H new ATOM 0 HB3 PHE A 28 38.808 -40.389 5.485 1.00 41.32 H new ATOM 0 HD1 PHE A 28 37.320 -43.783 5.702 1.00 40.42 H new ATOM 0 HD2 PHE A 28 36.635 -39.590 6.021 1.00 53.01 H new ATOM 0 HE1 PHE A 28 35.109 -44.220 6.677 1.00 32.41 H new ATOM 0 HE2 PHE A 28 34.424 -40.025 6.998 1.00 51.40 H new ATOM 0 HZ PHE A 28 33.654 -42.342 7.324 1.00 43.23 H new ATOM 476 N SER A 29 37.078 -43.312 2.924 1.00 72.04 N ATOM 477 CA SER A 29 36.753 -44.673 2.514 1.00 61.33 C ATOM 478 C SER A 29 37.242 -44.944 1.094 1.00 21.42 C ATOM 479 O SER A 29 37.457 -46.094 0.710 1.00 2.51 O ATOM 480 CB SER A 29 35.244 -44.908 2.599 1.00 53.21 C ATOM 481 OG SER A 29 34.791 -44.835 3.940 1.00 62.41 O ATOM 0 H SER A 29 36.284 -42.672 2.928 1.00 72.04 H new ATOM 0 HA SER A 29 37.259 -45.360 3.192 1.00 61.33 H new ATOM 0 HB2 SER A 29 34.723 -44.166 1.995 1.00 53.21 H new ATOM 0 HB3 SER A 29 35.001 -45.886 2.182 1.00 53.21 H new ATOM 0 HG SER A 29 35.335 -44.187 4.434 1.00 62.41 H new ATOM 487 N GLN A 30 37.415 -43.877 0.321 1.00 72.43 N ATOM 488 CA GLN A 30 37.878 -44.000 -1.057 1.00 15.24 C ATOM 489 C GLN A 30 39.198 -44.760 -1.122 1.00 20.13 C ATOM 490 O GLN A 30 39.476 -45.458 -2.097 1.00 51.04 O ATOM 491 CB GLN A 30 38.041 -42.616 -1.687 1.00 13.30 C ATOM 492 CG GLN A 30 38.147 -42.646 -3.203 1.00 63.41 C ATOM 493 CD GLN A 30 38.201 -41.259 -3.813 1.00 32.44 C ATOM 494 OE1 GLN A 30 38.827 -40.352 -3.264 1.00 53.45 O ATOM 495 NE2 GLN A 30 37.543 -41.088 -4.953 1.00 40.13 N ATOM 0 H GLN A 30 37.242 -42.919 0.624 1.00 72.43 H new ATOM 0 HA GLN A 30 37.130 -44.561 -1.617 1.00 15.24 H new ATOM 0 HB2 GLN A 30 37.192 -41.994 -1.403 1.00 13.30 H new ATOM 0 HB3 GLN A 30 38.934 -42.143 -1.278 1.00 13.30 H new ATOM 0 HG2 GLN A 30 39.041 -43.200 -3.490 1.00 63.41 H new ATOM 0 HG3 GLN A 30 37.293 -43.186 -3.612 1.00 63.41 H new ATOM 0 HE21 GLN A 30 37.038 -41.869 -5.372 1.00 40.13 H new ATOM 0 HE22 GLN A 30 37.543 -40.176 -5.410 1.00 40.13 H new ATOM 504 N ILE A 31 40.008 -44.620 -0.078 1.00 12.23 N ATOM 505 CA ILE A 31 41.299 -45.294 -0.017 1.00 34.23 C ATOM 506 C ILE A 31 41.193 -46.615 0.737 1.00 25.43 C ATOM 507 O ILE A 31 42.185 -47.125 1.261 1.00 3.20 O ATOM 508 CB ILE A 31 42.363 -44.412 0.662 1.00 62.11 C ATOM 509 CG1 ILE A 31 43.767 -44.930 0.341 1.00 75.24 C ATOM 510 CG2 ILE A 31 42.138 -44.373 2.166 1.00 24.31 C ATOM 511 CD1 ILE A 31 44.845 -43.878 0.475 1.00 13.31 C ATOM 0 H ILE A 31 39.793 -44.046 0.737 1.00 12.23 H new ATOM 0 HA ILE A 31 41.603 -45.488 -1.046 1.00 34.23 H new ATOM 0 HB ILE A 31 42.273 -43.397 0.275 1.00 62.11 H new ATOM 0 HG12 ILE A 31 43.999 -45.763 1.005 1.00 75.24 H new ATOM 0 HG13 ILE A 31 43.777 -45.321 -0.676 1.00 75.24 H new ATOM 0 HG21 ILE A 31 42.898 -43.746 2.631 1.00 24.31 H new ATOM 0 HG22 ILE A 31 41.150 -43.962 2.376 1.00 24.31 H new ATOM 0 HG23 ILE A 31 42.204 -45.383 2.570 1.00 24.31 H new ATOM 0 HD11 ILE A 31 45.813 -44.316 0.232 1.00 13.31 H new ATOM 0 HD12 ILE A 31 44.637 -43.055 -0.209 1.00 13.31 H new ATOM 0 HD13 ILE A 31 44.863 -43.503 1.498 1.00 13.31 H new ATOM 523 N LEU A 32 39.986 -47.167 0.787 1.00 21.15 N ATOM 524 CA LEU A 32 39.751 -48.431 1.476 1.00 75.40 C ATOM 525 C LEU A 32 39.096 -49.446 0.544 1.00 53.55 C ATOM 526 O LEU A 32 37.908 -49.751 0.654 1.00 2.01 O ATOM 527 CB LEU A 32 38.869 -48.209 2.706 1.00 54.52 C ATOM 528 CG LEU A 32 39.604 -47.971 4.025 1.00 21.52 C ATOM 529 CD1 LEU A 32 40.471 -49.171 4.376 1.00 42.41 C ATOM 530 CD2 LEU A 32 40.447 -46.707 3.946 1.00 14.33 C ATOM 0 H LEU A 32 39.155 -46.759 0.359 1.00 21.15 H new ATOM 0 HA LEU A 32 40.715 -48.827 1.795 1.00 75.40 H new ATOM 0 HB2 LEU A 32 38.222 -47.353 2.514 1.00 54.52 H new ATOM 0 HB3 LEU A 32 38.222 -49.078 2.826 1.00 54.52 H new ATOM 0 HG LEU A 32 38.863 -47.840 4.813 1.00 21.52 H new ATOM 0 HD11 LEU A 32 40.987 -48.984 5.318 1.00 42.41 H new ATOM 0 HD12 LEU A 32 39.843 -50.057 4.475 1.00 42.41 H new ATOM 0 HD13 LEU A 32 41.205 -49.333 3.586 1.00 42.41 H new ATOM 0 HD21 LEU A 32 40.963 -46.554 4.894 1.00 14.33 H new ATOM 0 HD22 LEU A 32 41.180 -46.808 3.146 1.00 14.33 H new ATOM 0 HD23 LEU A 32 39.803 -45.852 3.741 1.00 14.33 H new ATOM 542 N PRO A 33 39.887 -49.982 -0.397 1.00 23.52 N ATOM 543 CA PRO A 33 39.407 -50.973 -1.365 1.00 53.41 C ATOM 544 C PRO A 33 39.101 -52.318 -0.715 1.00 53.33 C ATOM 545 O PRO A 33 39.320 -52.504 0.482 1.00 41.15 O ATOM 546 CB PRO A 33 40.575 -51.106 -2.346 1.00 13.24 C ATOM 547 CG PRO A 33 41.777 -50.715 -1.558 1.00 1.23 C ATOM 548 CD PRO A 33 41.313 -49.665 -0.587 1.00 14.22 C ATOM 0 HA PRO A 33 38.472 -50.665 -1.833 1.00 53.41 H new ATOM 0 HB2 PRO A 33 40.662 -52.125 -2.722 1.00 13.24 H new ATOM 0 HB3 PRO A 33 40.441 -50.457 -3.212 1.00 13.24 H new ATOM 0 HG2 PRO A 33 42.196 -51.574 -1.033 1.00 1.23 H new ATOM 0 HG3 PRO A 33 42.560 -50.326 -2.209 1.00 1.23 H new ATOM 0 HD2 PRO A 33 41.864 -49.714 0.352 1.00 14.22 H new ATOM 0 HD3 PRO A 33 41.452 -48.660 -0.985 1.00 14.22 H new ATOM 556 N SER A 34 38.593 -53.253 -1.512 1.00 43.11 N ATOM 557 CA SER A 34 38.254 -54.580 -1.013 1.00 60.42 C ATOM 558 C SER A 34 37.816 -55.494 -2.154 1.00 65.00 C ATOM 559 O SER A 34 36.638 -55.816 -2.309 1.00 1.51 O ATOM 560 CB SER A 34 37.143 -54.486 0.034 1.00 21.15 C ATOM 561 OG SER A 34 36.877 -55.753 0.611 1.00 1.11 O ATOM 0 H SER A 34 38.407 -53.116 -2.506 1.00 43.11 H new ATOM 0 HA SER A 34 39.145 -55.005 -0.551 1.00 60.42 H new ATOM 0 HB2 SER A 34 37.433 -53.781 0.814 1.00 21.15 H new ATOM 0 HB3 SER A 34 36.236 -54.096 -0.428 1.00 21.15 H new ATOM 0 HG SER A 34 36.164 -55.666 1.278 1.00 1.11 H new ATOM 567 N PRO A 35 38.788 -55.923 -2.973 1.00 60.12 N ATOM 568 CA PRO A 35 38.529 -56.806 -4.114 1.00 71.03 C ATOM 569 C PRO A 35 38.138 -58.215 -3.680 1.00 41.43 C ATOM 570 O PRO A 35 38.601 -58.709 -2.651 1.00 72.25 O ATOM 571 CB PRO A 35 39.867 -56.827 -4.857 1.00 70.34 C ATOM 572 CG PRO A 35 40.884 -56.517 -3.814 1.00 65.13 C ATOM 573 CD PRO A 35 40.215 -55.580 -2.848 1.00 55.32 C ATOM 0 HA PRO A 35 37.695 -56.454 -4.721 1.00 71.03 H new ATOM 0 HB2 PRO A 35 40.051 -57.800 -5.313 1.00 70.34 H new ATOM 0 HB3 PRO A 35 39.886 -56.090 -5.660 1.00 70.34 H new ATOM 0 HG2 PRO A 35 41.216 -57.425 -3.310 1.00 65.13 H new ATOM 0 HG3 PRO A 35 41.768 -56.056 -4.256 1.00 65.13 H new ATOM 0 HD2 PRO A 35 40.576 -55.727 -1.830 1.00 55.32 H new ATOM 0 HD3 PRO A 35 40.402 -54.537 -3.105 1.00 55.32 H new ATOM 581 N LEU A 36 37.284 -58.856 -4.470 1.00 64.43 N ATOM 582 CA LEU A 36 36.831 -60.210 -4.168 1.00 4.22 C ATOM 583 C LEU A 36 36.041 -60.793 -5.335 1.00 10.03 C ATOM 584 O LEU A 36 34.818 -60.668 -5.394 1.00 75.42 O ATOM 585 CB LEU A 36 35.971 -60.210 -2.903 1.00 52.12 C ATOM 586 CG LEU A 36 35.799 -61.561 -2.208 1.00 63.12 C ATOM 587 CD1 LEU A 36 35.617 -61.372 -0.710 1.00 52.43 C ATOM 588 CD2 LEU A 36 34.620 -62.319 -2.799 1.00 73.14 C ATOM 0 H LEU A 36 36.891 -58.461 -5.324 1.00 64.43 H new ATOM 0 HA LEU A 36 37.710 -60.833 -4.002 1.00 4.22 H new ATOM 0 HB2 LEU A 36 36.408 -59.511 -2.191 1.00 52.12 H new ATOM 0 HB3 LEU A 36 34.983 -59.828 -3.160 1.00 52.12 H new ATOM 0 HG LEU A 36 36.702 -62.149 -2.372 1.00 63.12 H new ATOM 0 HD11 LEU A 36 35.496 -62.344 -0.233 1.00 52.43 H new ATOM 0 HD12 LEU A 36 36.493 -60.872 -0.297 1.00 52.43 H new ATOM 0 HD13 LEU A 36 34.731 -60.764 -0.525 1.00 52.43 H new ATOM 0 HD21 LEU A 36 34.513 -63.278 -2.292 1.00 73.14 H new ATOM 0 HD22 LEU A 36 33.709 -61.735 -2.667 1.00 73.14 H new ATOM 0 HD23 LEU A 36 34.792 -62.488 -3.862 1.00 73.14 H new ATOM 600 N LYS A 37 36.748 -61.432 -6.261 1.00 32.25 N ATOM 601 CA LYS A 37 36.113 -62.039 -7.425 1.00 3.22 C ATOM 602 C LYS A 37 36.980 -63.157 -7.996 1.00 13.21 C ATOM 603 O LYS A 37 37.584 -63.025 -9.061 1.00 15.53 O ATOM 604 CB LYS A 37 35.854 -60.980 -8.499 1.00 63.34 C ATOM 605 CG LYS A 37 37.066 -60.119 -8.809 1.00 1.51 C ATOM 606 CD LYS A 37 36.707 -58.958 -9.721 1.00 55.22 C ATOM 607 CE LYS A 37 36.394 -59.434 -11.132 1.00 0.43 C ATOM 608 NZ LYS A 37 37.624 -59.846 -11.863 1.00 72.21 N ATOM 0 H LYS A 37 37.761 -61.543 -6.228 1.00 32.25 H new ATOM 0 HA LYS A 37 35.162 -62.467 -7.108 1.00 3.22 H new ATOM 0 HB2 LYS A 37 35.527 -61.475 -9.414 1.00 63.34 H new ATOM 0 HB3 LYS A 37 35.036 -60.337 -8.174 1.00 63.34 H new ATOM 0 HG2 LYS A 37 37.488 -59.736 -7.880 1.00 1.51 H new ATOM 0 HG3 LYS A 37 37.836 -60.729 -9.281 1.00 1.51 H new ATOM 0 HD2 LYS A 37 35.845 -58.428 -9.315 1.00 55.22 H new ATOM 0 HD3 LYS A 37 37.533 -58.248 -9.750 1.00 55.22 H new ATOM 0 HE2 LYS A 37 35.700 -60.273 -11.087 1.00 0.43 H new ATOM 0 HE3 LYS A 37 35.894 -58.637 -11.682 1.00 0.43 H new ATOM 0 HZ1 LYS A 37 37.393 -60.018 -12.862 1.00 72.21 H new ATOM 0 HZ2 LYS A 37 38.336 -59.091 -11.797 1.00 72.21 H new ATOM 0 HZ3 LYS A 37 38.003 -60.717 -11.441 1.00 72.21 H new ATOM 622 N PRO A 38 37.042 -64.285 -7.274 1.00 25.40 N ATOM 623 CA PRO A 38 37.831 -65.449 -7.691 1.00 34.01 C ATOM 624 C PRO A 38 37.235 -66.146 -8.910 1.00 4.33 C ATOM 625 O PRO A 38 36.473 -67.104 -8.780 1.00 23.41 O ATOM 626 CB PRO A 38 37.777 -66.370 -6.469 1.00 41.14 C ATOM 627 CG PRO A 38 36.523 -65.988 -5.762 1.00 30.02 C ATOM 628 CD PRO A 38 36.348 -64.513 -5.995 1.00 45.23 C ATOM 0 HA PRO A 38 38.842 -65.171 -7.988 1.00 34.01 H new ATOM 0 HB2 PRO A 38 37.761 -67.419 -6.764 1.00 41.14 H new ATOM 0 HB3 PRO A 38 38.649 -66.232 -5.830 1.00 41.14 H new ATOM 0 HG2 PRO A 38 35.671 -66.548 -6.149 1.00 30.02 H new ATOM 0 HG3 PRO A 38 36.593 -66.209 -4.697 1.00 30.02 H new ATOM 0 HD2 PRO A 38 35.295 -64.238 -6.055 1.00 45.23 H new ATOM 0 HD3 PRO A 38 36.786 -63.924 -5.189 1.00 45.23 H new ATOM 636 N THR A 39 37.588 -65.658 -10.095 1.00 61.54 N ATOM 637 CA THR A 39 37.088 -66.234 -11.338 1.00 3.14 C ATOM 638 C THR A 39 37.955 -67.404 -11.790 1.00 1.54 C ATOM 639 O THR A 39 37.715 -67.999 -12.840 1.00 53.43 O ATOM 640 CB THR A 39 37.037 -65.183 -12.463 1.00 34.13 C ATOM 641 OG1 THR A 39 38.300 -64.517 -12.569 1.00 14.30 O ATOM 642 CG2 THR A 39 35.940 -64.163 -12.200 1.00 15.40 C ATOM 0 H THR A 39 38.218 -64.866 -10.220 1.00 61.54 H new ATOM 0 HA THR A 39 36.078 -66.590 -11.137 1.00 3.14 H new ATOM 0 HB THR A 39 36.818 -65.695 -13.400 1.00 34.13 H new ATOM 0 HG1 THR A 39 38.260 -63.852 -13.287 1.00 14.30 H new ATOM 0 HG21 THR A 39 35.923 -63.431 -13.007 1.00 15.40 H new ATOM 0 HG22 THR A 39 34.976 -64.670 -12.149 1.00 15.40 H new ATOM 0 HG23 THR A 39 36.134 -63.656 -11.255 1.00 15.40 H new ATOM 650 N LYS A 40 38.965 -67.730 -10.990 1.00 14.44 N ATOM 651 CA LYS A 40 39.867 -68.830 -11.306 1.00 23.24 C ATOM 652 C LYS A 40 39.114 -70.156 -11.349 1.00 64.03 C ATOM 653 O LYS A 40 39.523 -71.090 -12.039 1.00 62.21 O ATOM 654 CB LYS A 40 40.994 -68.905 -10.273 1.00 23.20 C ATOM 655 CG LYS A 40 42.192 -69.715 -10.738 1.00 20.54 C ATOM 656 CD LYS A 40 43.174 -68.860 -11.521 1.00 32.31 C ATOM 657 CE LYS A 40 44.534 -69.532 -11.631 1.00 30.12 C ATOM 658 NZ LYS A 40 45.282 -69.483 -10.344 1.00 63.22 N ATOM 0 H LYS A 40 39.179 -67.247 -10.117 1.00 14.44 H new ATOM 0 HA LYS A 40 40.296 -68.644 -12.291 1.00 23.24 H new ATOM 0 HB2 LYS A 40 41.321 -67.894 -10.031 1.00 23.20 H new ATOM 0 HB3 LYS A 40 40.605 -69.343 -9.354 1.00 23.20 H new ATOM 0 HG2 LYS A 40 42.695 -70.150 -9.875 1.00 20.54 H new ATOM 0 HG3 LYS A 40 41.853 -70.543 -11.360 1.00 20.54 H new ATOM 0 HD2 LYS A 40 42.778 -68.671 -12.519 1.00 32.31 H new ATOM 0 HD3 LYS A 40 43.284 -67.891 -11.033 1.00 32.31 H new ATOM 0 HE2 LYS A 40 44.403 -70.570 -11.935 1.00 30.12 H new ATOM 0 HE3 LYS A 40 45.119 -69.043 -12.410 1.00 30.12 H new ATOM 0 HZ1 LYS A 40 46.266 -69.779 -10.503 1.00 63.22 H new ATOM 0 HZ2 LYS A 40 45.269 -68.512 -9.971 1.00 63.22 H new ATOM 0 HZ3 LYS A 40 44.834 -70.123 -9.658 1.00 63.22 H new ATOM 672 N ARG A 41 38.013 -70.230 -10.610 1.00 35.20 N ATOM 673 CA ARG A 41 37.203 -71.442 -10.565 1.00 52.20 C ATOM 674 C ARG A 41 36.159 -71.440 -11.678 1.00 42.22 C ATOM 675 O ARG A 41 35.289 -72.309 -11.729 1.00 24.41 O ATOM 676 CB ARG A 41 36.513 -71.570 -9.205 1.00 45.24 C ATOM 677 CG ARG A 41 35.396 -70.562 -8.992 1.00 34.40 C ATOM 678 CD ARG A 41 35.145 -70.313 -7.513 1.00 22.11 C ATOM 679 NE ARG A 41 34.854 -71.549 -6.791 1.00 51.12 N ATOM 680 CZ ARG A 41 34.310 -71.582 -5.580 1.00 2.44 C ATOM 681 NH1 ARG A 41 34.000 -70.452 -4.958 1.00 31.51 N ATOM 682 NH2 ARG A 41 34.075 -72.746 -4.988 1.00 4.22 N ATOM 0 H ARG A 41 37.661 -69.465 -10.034 1.00 35.20 H new ATOM 0 HA ARG A 41 37.864 -72.296 -10.712 1.00 52.20 H new ATOM 0 HB2 ARG A 41 36.106 -72.577 -9.107 1.00 45.24 H new ATOM 0 HB3 ARG A 41 37.256 -71.448 -8.417 1.00 45.24 H new ATOM 0 HG2 ARG A 41 35.654 -69.623 -9.482 1.00 34.40 H new ATOM 0 HG3 ARG A 41 34.482 -70.926 -9.461 1.00 34.40 H new ATOM 0 HD2 ARG A 41 36.019 -69.833 -7.073 1.00 22.11 H new ATOM 0 HD3 ARG A 41 34.310 -69.621 -7.398 1.00 22.11 H new ATOM 0 HE ARG A 41 35.081 -72.435 -7.242 1.00 51.12 H new ATOM 0 HH11 ARG A 41 34.179 -69.555 -5.410 1.00 31.51 H new ATOM 0 HH12 ARG A 41 33.582 -70.480 -4.028 1.00 31.51 H new ATOM 0 HH21 ARG A 41 34.312 -73.617 -5.463 1.00 4.22 H new ATOM 0 HH22 ARG A 41 33.657 -72.770 -4.058 1.00 4.22 H new ATOM 696 N SER A 42 36.252 -70.457 -12.568 1.00 2.41 N ATOM 697 CA SER A 42 35.314 -70.339 -13.678 1.00 11.32 C ATOM 698 C SER A 42 35.844 -71.055 -14.916 1.00 45.42 C ATOM 699 O SER A 42 35.074 -71.514 -15.760 1.00 22.14 O ATOM 700 CB SER A 42 35.053 -68.866 -13.999 1.00 3.33 C ATOM 701 OG SER A 42 34.626 -68.161 -12.846 1.00 52.53 O ATOM 0 H SER A 42 36.968 -69.731 -12.542 1.00 2.41 H new ATOM 0 HA SER A 42 34.377 -70.810 -13.381 1.00 11.32 H new ATOM 0 HB2 SER A 42 35.961 -68.410 -14.393 1.00 3.33 H new ATOM 0 HB3 SER A 42 34.294 -68.789 -14.778 1.00 3.33 H new ATOM 0 HG SER A 42 34.467 -67.222 -13.077 1.00 52.53 H new ATOM 707 N PHE A 43 37.166 -71.145 -15.019 1.00 23.35 N ATOM 708 CA PHE A 43 37.802 -71.804 -16.154 1.00 32.13 C ATOM 709 C PHE A 43 37.291 -73.234 -16.309 1.00 3.34 C ATOM 710 O PHE A 43 37.229 -73.765 -17.418 1.00 13.23 O ATOM 711 CB PHE A 43 39.322 -71.809 -15.982 1.00 22.21 C ATOM 712 CG PHE A 43 39.971 -70.506 -16.350 1.00 45.21 C ATOM 713 CD1 PHE A 43 40.659 -69.766 -15.401 1.00 73.41 C ATOM 714 CD2 PHE A 43 39.894 -70.020 -17.645 1.00 41.24 C ATOM 715 CE1 PHE A 43 41.258 -68.567 -15.737 1.00 14.23 C ATOM 716 CE2 PHE A 43 40.491 -68.821 -17.987 1.00 24.11 C ATOM 717 CZ PHE A 43 41.173 -68.093 -17.031 1.00 71.12 C ATOM 0 H PHE A 43 37.818 -70.770 -14.330 1.00 23.35 H new ATOM 0 HA PHE A 43 37.548 -71.246 -17.055 1.00 32.13 H new ATOM 0 HB2 PHE A 43 39.562 -72.045 -14.945 1.00 22.21 H new ATOM 0 HB3 PHE A 43 39.747 -72.603 -16.596 1.00 22.21 H new ATOM 0 HD1 PHE A 43 40.728 -70.131 -14.387 1.00 73.41 H new ATOM 0 HD2 PHE A 43 39.361 -70.584 -18.396 1.00 41.24 H new ATOM 0 HE1 PHE A 43 41.792 -68.001 -14.988 1.00 14.23 H new ATOM 0 HE2 PHE A 43 40.424 -68.454 -19.000 1.00 24.11 H new ATOM 0 HZ PHE A 43 41.639 -67.155 -17.295 1.00 71.12 H new ATOM 727 N ILE A 44 36.929 -73.850 -15.189 1.00 35.40 N ATOM 728 CA ILE A 44 36.423 -75.218 -15.200 1.00 3.42 C ATOM 729 C ILE A 44 34.950 -75.256 -15.593 1.00 24.31 C ATOM 730 O ILE A 44 34.461 -76.263 -16.104 1.00 41.11 O ATOM 731 CB ILE A 44 36.594 -75.892 -13.826 1.00 2.23 C ATOM 732 CG1 ILE A 44 35.890 -75.074 -12.741 1.00 31.20 C ATOM 733 CG2 ILE A 44 38.070 -76.058 -13.497 1.00 44.31 C ATOM 734 CD1 ILE A 44 35.890 -75.743 -11.384 1.00 71.34 C ATOM 0 H ILE A 44 36.976 -73.425 -14.263 1.00 35.40 H new ATOM 0 HA ILE A 44 37.008 -75.765 -15.939 1.00 3.42 H new ATOM 0 HB ILE A 44 36.137 -76.881 -13.864 1.00 2.23 H new ATOM 0 HG12 ILE A 44 36.376 -74.102 -12.658 1.00 31.20 H new ATOM 0 HG13 ILE A 44 34.860 -74.891 -13.047 1.00 31.20 H new ATOM 0 HG21 ILE A 44 38.174 -76.536 -12.523 1.00 44.31 H new ATOM 0 HG22 ILE A 44 38.545 -76.678 -14.258 1.00 44.31 H new ATOM 0 HG23 ILE A 44 38.550 -75.080 -13.474 1.00 44.31 H new ATOM 0 HD11 ILE A 44 35.374 -75.107 -10.665 1.00 71.34 H new ATOM 0 HD12 ILE A 44 35.378 -76.703 -11.452 1.00 71.34 H new ATOM 0 HD13 ILE A 44 36.917 -75.902 -11.057 1.00 71.34 H new ATOM 746 N GLU A 45 34.250 -74.152 -15.352 1.00 30.41 N ATOM 747 CA GLU A 45 32.833 -74.061 -15.682 1.00 53.51 C ATOM 748 C GLU A 45 32.596 -74.377 -17.156 1.00 33.41 C ATOM 749 O GLU A 45 31.514 -74.823 -17.540 1.00 41.30 O ATOM 750 CB GLU A 45 32.300 -72.663 -15.358 1.00 21.35 C ATOM 751 CG GLU A 45 30.801 -72.625 -15.113 1.00 50.10 C ATOM 752 CD GLU A 45 30.374 -71.424 -14.291 1.00 44.03 C ATOM 753 OE1 GLU A 45 31.156 -70.453 -14.212 1.00 13.24 O ATOM 754 OE2 GLU A 45 29.260 -71.455 -13.728 1.00 65.12 O ATOM 0 H GLU A 45 34.641 -73.309 -14.930 1.00 30.41 H new ATOM 0 HA GLU A 45 32.298 -74.795 -15.080 1.00 53.51 H new ATOM 0 HB2 GLU A 45 32.814 -72.283 -14.475 1.00 21.35 H new ATOM 0 HB3 GLU A 45 32.542 -71.991 -16.181 1.00 21.35 H new ATOM 0 HG2 GLU A 45 30.281 -72.609 -16.071 1.00 50.10 H new ATOM 0 HG3 GLU A 45 30.497 -73.538 -14.601 1.00 50.10 H new ATOM 761 N ASP A 46 33.614 -74.144 -17.976 1.00 43.12 N ATOM 762 CA ASP A 46 33.518 -74.404 -19.408 1.00 23.42 C ATOM 763 C ASP A 46 33.105 -75.849 -19.671 1.00 31.13 C ATOM 764 O ASP A 46 32.509 -76.157 -20.704 1.00 30.43 O ATOM 765 CB ASP A 46 34.854 -74.111 -20.092 1.00 3.40 C ATOM 766 CG ASP A 46 35.826 -75.269 -19.986 1.00 23.22 C ATOM 767 OD1 ASP A 46 36.254 -75.784 -21.040 1.00 40.15 O ATOM 768 OD2 ASP A 46 36.160 -75.661 -18.848 1.00 51.21 O ATOM 0 H ASP A 46 34.516 -73.775 -17.674 1.00 43.12 H new ATOM 0 HA ASP A 46 32.755 -73.745 -19.821 1.00 23.42 H new ATOM 0 HB2 ASP A 46 34.678 -73.883 -21.143 1.00 3.40 H new ATOM 0 HB3 ASP A 46 35.301 -73.223 -19.644 1.00 3.40 H new ATOM 773 N LEU A 47 33.426 -76.731 -18.731 1.00 33.23 N ATOM 774 CA LEU A 47 33.089 -78.145 -18.861 1.00 13.43 C ATOM 775 C LEU A 47 31.590 -78.330 -19.075 1.00 12.53 C ATOM 776 O LEU A 47 31.153 -79.324 -19.655 1.00 34.43 O ATOM 777 CB LEU A 47 33.536 -78.913 -17.616 1.00 3.52 C ATOM 778 CG LEU A 47 32.656 -78.753 -16.376 1.00 75.11 C ATOM 779 CD1 LEU A 47 31.571 -79.819 -16.351 1.00 52.33 C ATOM 780 CD2 LEU A 47 33.499 -78.818 -15.111 1.00 33.11 C ATOM 0 H LEU A 47 33.919 -76.492 -17.871 1.00 33.23 H new ATOM 0 HA LEU A 47 33.613 -78.539 -19.731 1.00 13.43 H new ATOM 0 HB2 LEU A 47 33.587 -79.973 -17.866 1.00 3.52 H new ATOM 0 HB3 LEU A 47 34.548 -78.596 -17.362 1.00 3.52 H new ATOM 0 HG LEU A 47 32.176 -77.775 -16.418 1.00 75.11 H new ATOM 0 HD11 LEU A 47 30.954 -79.690 -15.462 1.00 52.33 H new ATOM 0 HD12 LEU A 47 30.949 -79.726 -17.241 1.00 52.33 H new ATOM 0 HD13 LEU A 47 32.032 -80.807 -16.333 1.00 52.33 H new ATOM 0 HD21 LEU A 47 32.856 -78.702 -14.239 1.00 33.11 H new ATOM 0 HD22 LEU A 47 34.007 -79.781 -15.062 1.00 33.11 H new ATOM 0 HD23 LEU A 47 34.239 -78.017 -15.125 1.00 33.11 H new ATOM 792 N LEU A 48 30.807 -77.365 -18.605 1.00 0.52 N ATOM 793 CA LEU A 48 29.356 -77.419 -18.747 1.00 21.24 C ATOM 794 C LEU A 48 28.955 -77.501 -20.216 1.00 2.00 C ATOM 795 O LEU A 48 27.857 -77.949 -20.547 1.00 10.43 O ATOM 796 CB LEU A 48 28.714 -76.191 -18.098 1.00 60.45 C ATOM 797 CG LEU A 48 27.203 -76.046 -18.286 1.00 45.03 C ATOM 798 CD1 LEU A 48 26.578 -75.371 -17.076 1.00 14.40 C ATOM 799 CD2 LEU A 48 26.897 -75.263 -19.554 1.00 53.34 C ATOM 0 H LEU A 48 31.153 -76.536 -18.122 1.00 0.52 H new ATOM 0 HA LEU A 48 28.999 -78.317 -18.242 1.00 21.24 H new ATOM 0 HB2 LEU A 48 28.926 -76.217 -17.029 1.00 60.45 H new ATOM 0 HB3 LEU A 48 29.197 -75.299 -18.497 1.00 60.45 H new ATOM 0 HG LEU A 48 26.770 -77.042 -18.385 1.00 45.03 H new ATOM 0 HD11 LEU A 48 25.503 -75.276 -17.227 1.00 14.40 H new ATOM 0 HD12 LEU A 48 26.768 -75.971 -16.186 1.00 14.40 H new ATOM 0 HD13 LEU A 48 27.015 -74.381 -16.946 1.00 14.40 H new ATOM 0 HD21 LEU A 48 25.817 -75.169 -19.672 1.00 53.34 H new ATOM 0 HD22 LEU A 48 27.342 -74.270 -19.485 1.00 53.34 H new ATOM 0 HD23 LEU A 48 27.312 -75.788 -20.415 1.00 53.34 H new ATOM 811 N PHE A 49 29.854 -77.067 -21.094 1.00 74.50 N ATOM 812 CA PHE A 49 29.594 -77.093 -22.529 1.00 3.32 C ATOM 813 C PHE A 49 29.266 -78.507 -22.997 1.00 71.24 C ATOM 814 O PHE A 49 28.610 -78.697 -24.021 1.00 11.23 O ATOM 815 CB PHE A 49 30.804 -76.557 -23.297 1.00 4.12 C ATOM 816 CG PHE A 49 30.783 -75.067 -23.486 1.00 31.03 C ATOM 817 CD1 PHE A 49 30.858 -74.216 -22.395 1.00 5.10 C ATOM 818 CD2 PHE A 49 30.686 -74.518 -24.754 1.00 45.40 C ATOM 819 CE1 PHE A 49 30.839 -72.844 -22.565 1.00 63.43 C ATOM 820 CE2 PHE A 49 30.667 -73.147 -24.931 1.00 3.05 C ATOM 821 CZ PHE A 49 30.743 -72.309 -23.835 1.00 35.32 C ATOM 0 H PHE A 49 30.768 -76.694 -20.837 1.00 74.50 H new ATOM 0 HA PHE A 49 28.733 -76.455 -22.729 1.00 3.32 H new ATOM 0 HB2 PHE A 49 31.714 -76.835 -22.765 1.00 4.12 H new ATOM 0 HB3 PHE A 49 30.846 -77.038 -24.274 1.00 4.12 H new ATOM 0 HD1 PHE A 49 30.932 -74.629 -21.400 1.00 5.10 H new ATOM 0 HD2 PHE A 49 30.625 -75.168 -25.614 1.00 45.40 H new ATOM 0 HE1 PHE A 49 30.899 -72.192 -21.706 1.00 63.43 H new ATOM 0 HE2 PHE A 49 30.593 -72.731 -25.925 1.00 3.05 H new ATOM 0 HZ PHE A 49 30.727 -71.238 -23.971 1.00 35.32 H new ATOM 831 N ASN A 50 29.728 -79.497 -22.240 1.00 60.15 N ATOM 832 CA ASN A 50 29.485 -80.895 -22.578 1.00 50.11 C ATOM 833 C ASN A 50 28.035 -81.278 -22.298 1.00 21.14 C ATOM 834 O ASN A 50 27.521 -82.253 -22.847 1.00 41.31 O ATOM 835 CB ASN A 50 30.427 -81.804 -21.786 1.00 12.23 C ATOM 836 CG ASN A 50 29.902 -82.109 -20.396 1.00 62.20 C ATOM 837 OD1 ASN A 50 29.386 -81.228 -19.708 1.00 24.53 O ATOM 838 ND2 ASN A 50 30.032 -83.363 -19.977 1.00 3.41 N ATOM 0 H ASN A 50 30.272 -79.357 -21.389 1.00 60.15 H new ATOM 0 HA ASN A 50 29.677 -81.024 -23.643 1.00 50.11 H new ATOM 0 HB2 ASN A 50 30.570 -82.737 -22.330 1.00 12.23 H new ATOM 0 HB3 ASN A 50 31.405 -81.329 -21.706 1.00 12.23 H new ATOM 0 HD21 ASN A 50 29.697 -83.628 -19.051 1.00 3.41 H new ATOM 0 HD22 ASN A 50 30.466 -84.060 -20.582 1.00 3.41 H new ATOM 845 N LYS A 51 27.380 -80.504 -21.439 1.00 31.20 N ATOM 846 CA LYS A 51 25.989 -80.760 -21.086 1.00 15.33 C ATOM 847 C LYS A 51 25.046 -79.929 -21.951 1.00 2.01 C ATOM 848 O LYS A 51 24.020 -79.441 -21.477 1.00 70.20 O ATOM 849 CB LYS A 51 25.750 -80.446 -19.607 1.00 43.40 C ATOM 850 CG LYS A 51 24.488 -81.078 -19.046 1.00 64.14 C ATOM 851 CD LYS A 51 24.717 -82.530 -18.660 1.00 14.33 C ATOM 852 CE LYS A 51 25.503 -82.644 -17.363 1.00 3.01 C ATOM 853 NZ LYS A 51 24.679 -82.273 -16.180 1.00 11.04 N ATOM 0 H LYS A 51 27.791 -79.694 -20.974 1.00 31.20 H new ATOM 0 HA LYS A 51 25.784 -81.815 -21.265 1.00 15.33 H new ATOM 0 HB2 LYS A 51 26.607 -80.791 -19.028 1.00 43.40 H new ATOM 0 HB3 LYS A 51 25.693 -79.365 -19.479 1.00 43.40 H new ATOM 0 HG2 LYS A 51 24.156 -80.516 -18.173 1.00 64.14 H new ATOM 0 HG3 LYS A 51 23.690 -81.019 -19.786 1.00 64.14 H new ATOM 0 HD2 LYS A 51 23.757 -83.034 -18.550 1.00 14.33 H new ATOM 0 HD3 LYS A 51 25.255 -83.040 -19.459 1.00 14.33 H new ATOM 0 HE2 LYS A 51 25.866 -83.665 -17.247 1.00 3.01 H new ATOM 0 HE3 LYS A 51 26.380 -81.998 -17.412 1.00 3.01 H new ATOM 0 HZ1 LYS A 51 25.167 -82.569 -15.311 1.00 11.04 H new ATOM 0 HZ2 LYS A 51 24.538 -81.243 -16.164 1.00 11.04 H new ATOM 0 HZ3 LYS A 51 23.755 -82.748 -16.238 1.00 11.04 H new ATOM 867 N VAL A 52 25.401 -79.773 -23.223 1.00 15.04 N ATOM 868 CA VAL A 52 24.585 -79.004 -24.155 1.00 10.54 C ATOM 869 C VAL A 52 23.859 -79.919 -25.134 1.00 50.54 C ATOM 870 O VAL A 52 23.513 -79.510 -26.243 1.00 74.14 O ATOM 871 CB VAL A 52 25.438 -77.995 -24.947 1.00 22.22 C ATOM 872 CG1 VAL A 52 26.203 -77.083 -24.000 1.00 50.31 C ATOM 873 CG2 VAL A 52 26.390 -78.723 -25.884 1.00 21.54 C ATOM 0 H VAL A 52 26.248 -80.169 -23.631 1.00 15.04 H new ATOM 0 HA VAL A 52 23.852 -78.460 -23.560 1.00 10.54 H new ATOM 0 HB VAL A 52 24.773 -77.377 -25.550 1.00 22.22 H new ATOM 0 HG11 VAL A 52 26.800 -76.377 -24.578 1.00 50.31 H new ATOM 0 HG12 VAL A 52 25.499 -76.535 -23.374 1.00 50.31 H new ATOM 0 HG13 VAL A 52 26.860 -77.682 -23.369 1.00 50.31 H new ATOM 0 HG21 VAL A 52 26.985 -77.995 -26.436 1.00 21.54 H new ATOM 0 HG22 VAL A 52 27.051 -79.366 -25.303 1.00 21.54 H new ATOM 0 HG23 VAL A 52 25.817 -79.330 -26.585 1.00 21.54 H new ATOM 883 N THR A 53 23.630 -81.160 -24.718 1.00 22.22 N ATOM 884 CA THR A 53 22.946 -82.134 -25.558 1.00 72.43 C ATOM 885 C THR A 53 21.432 -81.990 -25.447 1.00 4.13 C ATOM 886 O THR A 53 20.699 -82.285 -26.391 1.00 51.34 O ATOM 887 CB THR A 53 23.341 -83.575 -25.184 1.00 64.43 C ATOM 888 OG1 THR A 53 22.842 -84.491 -26.166 1.00 1.23 O ATOM 889 CG2 THR A 53 22.797 -83.947 -23.813 1.00 64.42 C ATOM 0 H THR A 53 23.909 -81.514 -23.803 1.00 22.22 H new ATOM 0 HA THR A 53 23.253 -81.935 -26.585 1.00 72.43 H new ATOM 0 HB THR A 53 24.429 -83.633 -25.153 1.00 64.43 H new ATOM 0 HG1 THR A 53 23.099 -85.405 -25.922 1.00 1.23 H new ATOM 0 HG21 THR A 53 23.089 -84.969 -23.571 1.00 64.42 H new ATOM 0 HG22 THR A 53 23.202 -83.267 -23.064 1.00 64.42 H new ATOM 0 HG23 THR A 53 21.710 -83.872 -23.821 1.00 64.42 H new ATOM 897 N LEU A 54 20.970 -81.534 -24.288 1.00 22.03 N ATOM 898 CA LEU A 54 19.542 -81.349 -24.053 1.00 23.22 C ATOM 899 C LEU A 54 18.952 -80.353 -25.045 1.00 53.40 C ATOM 900 O LEU A 54 17.760 -80.397 -25.350 1.00 23.12 O ATOM 901 CB LEU A 54 19.299 -80.867 -22.622 1.00 1.32 C ATOM 902 CG LEU A 54 19.687 -79.417 -22.327 1.00 72.22 C ATOM 903 CD1 LEU A 54 18.518 -78.485 -22.604 1.00 74.03 C ATOM 904 CD2 LEU A 54 20.157 -79.273 -20.887 1.00 53.11 C ATOM 0 H LEU A 54 21.563 -81.286 -23.496 1.00 22.03 H new ATOM 0 HA LEU A 54 19.048 -82.310 -24.194 1.00 23.22 H new ATOM 0 HB2 LEU A 54 18.241 -80.993 -22.392 1.00 1.32 H new ATOM 0 HB3 LEU A 54 19.852 -81.516 -21.943 1.00 1.32 H new ATOM 0 HG LEU A 54 20.510 -79.140 -22.986 1.00 72.22 H new ATOM 0 HD11 LEU A 54 18.813 -77.458 -22.389 1.00 74.03 H new ATOM 0 HD12 LEU A 54 18.228 -78.567 -23.651 1.00 74.03 H new ATOM 0 HD13 LEU A 54 17.675 -78.761 -21.971 1.00 74.03 H new ATOM 0 HD21 LEU A 54 20.429 -78.235 -20.695 1.00 53.11 H new ATOM 0 HD22 LEU A 54 19.355 -79.569 -20.211 1.00 53.11 H new ATOM 0 HD23 LEU A 54 21.025 -79.912 -20.722 1.00 53.11 H new ATOM 916 N ALA A 55 19.794 -79.455 -25.547 1.00 20.50 N ATOM 917 CA ALA A 55 19.356 -78.451 -26.508 1.00 45.30 C ATOM 918 C ALA A 55 18.802 -79.103 -27.770 1.00 40.10 C ATOM 919 O ALA A 55 17.987 -78.512 -28.479 1.00 21.12 O ATOM 920 CB ALA A 55 20.506 -77.517 -26.856 1.00 3.13 C ATOM 0 H ALA A 55 20.783 -79.403 -25.304 1.00 20.50 H new ATOM 0 HA ALA A 55 18.556 -77.870 -26.050 1.00 45.30 H new ATOM 0 HB1 ALA A 55 20.165 -76.772 -27.575 1.00 3.13 H new ATOM 0 HB2 ALA A 55 20.855 -77.017 -25.953 1.00 3.13 H new ATOM 0 HB3 ALA A 55 21.323 -78.093 -27.290 1.00 3.13 H new ATOM 926 N ASP A 56 19.249 -80.323 -28.045 1.00 64.11 N ATOM 927 CA ASP A 56 18.797 -81.056 -29.222 1.00 45.11 C ATOM 928 C ASP A 56 17.275 -81.139 -29.259 1.00 33.22 C ATOM 929 O ASP A 56 16.672 -81.198 -30.330 1.00 62.22 O ATOM 930 CB ASP A 56 19.398 -82.462 -29.235 1.00 60.52 C ATOM 931 CG ASP A 56 18.615 -83.434 -28.374 1.00 63.22 C ATOM 932 OD1 ASP A 56 18.251 -84.516 -28.881 1.00 73.01 O ATOM 933 OD2 ASP A 56 18.368 -83.113 -27.193 1.00 70.41 O ATOM 0 H ASP A 56 19.924 -80.826 -27.469 1.00 64.11 H new ATOM 0 HA ASP A 56 19.135 -80.517 -30.107 1.00 45.11 H new ATOM 0 HB2 ASP A 56 19.428 -82.832 -30.260 1.00 60.52 H new ATOM 0 HB3 ASP A 56 20.428 -82.417 -28.882 1.00 60.52 H new ATOM 938 N ALA A 57 16.659 -81.145 -28.081 1.00 51.51 N ATOM 939 CA ALA A 57 15.207 -81.220 -27.979 1.00 12.33 C ATOM 940 C ALA A 57 14.563 -79.877 -28.306 1.00 1.30 C ATOM 941 O ALA A 57 13.682 -79.791 -29.160 1.00 62.35 O ATOM 942 CB ALA A 57 14.799 -81.677 -26.586 1.00 70.31 C ATOM 0 H ALA A 57 17.143 -81.099 -27.184 1.00 51.51 H new ATOM 0 HA ALA A 57 14.854 -81.950 -28.708 1.00 12.33 H new ATOM 0 HB1 ALA A 57 13.712 -81.729 -26.524 1.00 70.31 H new ATOM 0 HB2 ALA A 57 15.221 -82.662 -26.388 1.00 70.31 H new ATOM 0 HB3 ALA A 57 15.171 -80.968 -25.847 1.00 70.31 H new ATOM 948 N GLY A 58 15.009 -78.829 -27.619 1.00 52.24 N ATOM 949 CA GLY A 58 14.464 -77.504 -27.851 1.00 40.23 C ATOM 950 C GLY A 58 14.789 -76.977 -29.235 1.00 72.52 C ATOM 951 O GLY A 58 14.130 -76.063 -29.730 1.00 13.32 O ATOM 0 H GLY A 58 15.737 -78.874 -26.906 1.00 52.24 H new ATOM 0 HA2 GLY A 58 13.382 -77.532 -27.721 1.00 40.23 H new ATOM 0 HA3 GLY A 58 14.857 -76.817 -27.102 1.00 40.23 H new ATOM 955 N PHE A 59 15.809 -77.555 -29.862 1.00 15.22 N ATOM 956 CA PHE A 59 16.222 -77.136 -31.196 1.00 75.54 C ATOM 957 C PHE A 59 15.088 -77.324 -32.200 1.00 72.13 C ATOM 958 O PHE A 59 15.004 -76.609 -33.198 1.00 53.22 O ATOM 959 CB PHE A 59 17.451 -77.929 -31.645 1.00 22.03 C ATOM 960 CG PHE A 59 18.310 -77.194 -32.633 1.00 44.03 C ATOM 961 CD1 PHE A 59 18.190 -77.438 -33.992 1.00 13.51 C ATOM 962 CD2 PHE A 59 19.239 -76.260 -32.204 1.00 3.22 C ATOM 963 CE1 PHE A 59 18.979 -76.763 -34.904 1.00 54.44 C ATOM 964 CE2 PHE A 59 20.031 -75.582 -33.112 1.00 14.44 C ATOM 965 CZ PHE A 59 19.901 -75.834 -34.463 1.00 70.13 C ATOM 0 H PHE A 59 16.364 -78.314 -29.468 1.00 15.22 H new ATOM 0 HA PHE A 59 16.476 -76.077 -31.155 1.00 75.54 H new ATOM 0 HB2 PHE A 59 18.051 -78.180 -30.770 1.00 22.03 H new ATOM 0 HB3 PHE A 59 17.125 -78.870 -32.089 1.00 22.03 H new ATOM 0 HD1 PHE A 59 17.471 -78.164 -34.342 1.00 13.51 H new ATOM 0 HD2 PHE A 59 19.346 -76.059 -31.148 1.00 3.22 H new ATOM 0 HE1 PHE A 59 18.875 -76.962 -35.960 1.00 54.44 H new ATOM 0 HE2 PHE A 59 20.751 -74.856 -32.765 1.00 14.44 H new ATOM 0 HZ PHE A 59 20.519 -75.306 -35.174 1.00 70.13 H new ATOM 975 N MET A 60 14.219 -78.292 -31.928 1.00 54.21 N ATOM 976 CA MET A 60 13.089 -78.574 -32.807 1.00 3.42 C ATOM 977 C MET A 60 11.920 -77.642 -32.505 1.00 51.21 C ATOM 978 O MET A 60 11.100 -77.355 -33.377 1.00 72.35 O ATOM 979 CB MET A 60 12.648 -80.031 -32.654 1.00 41.54 C ATOM 980 CG MET A 60 11.507 -80.420 -33.580 1.00 12.12 C ATOM 981 SD MET A 60 11.490 -82.183 -33.959 1.00 4.41 S ATOM 982 CE MET A 60 12.604 -82.238 -35.361 1.00 0.23 C ATOM 0 H MET A 60 14.275 -78.894 -31.107 1.00 54.21 H new ATOM 0 HA MET A 60 13.409 -78.405 -33.835 1.00 3.42 H new ATOM 0 HB2 MET A 60 13.500 -80.682 -32.847 1.00 41.54 H new ATOM 0 HB3 MET A 60 12.343 -80.203 -31.622 1.00 41.54 H new ATOM 0 HG2 MET A 60 10.559 -80.142 -33.119 1.00 12.12 H new ATOM 0 HG3 MET A 60 11.588 -79.854 -34.508 1.00 12.12 H new ATOM 0 HE1 MET A 60 12.698 -83.266 -35.711 1.00 0.23 H new ATOM 0 HE2 MET A 60 12.209 -81.616 -36.164 1.00 0.23 H new ATOM 0 HE3 MET A 60 13.584 -81.866 -35.062 1.00 0.23 H new ATOM 992 N LYS A 61 11.849 -77.172 -31.264 1.00 52.44 N ATOM 993 CA LYS A 61 10.781 -76.271 -30.847 1.00 34.20 C ATOM 994 C LYS A 61 10.830 -74.966 -31.635 1.00 4.15 C ATOM 995 O LYS A 61 9.798 -74.347 -31.891 1.00 45.45 O ATOM 996 CB LYS A 61 10.888 -75.980 -29.348 1.00 51.55 C ATOM 997 CG LYS A 61 10.307 -77.076 -28.472 1.00 51.23 C ATOM 998 CD LYS A 61 9.843 -76.531 -27.132 1.00 24.24 C ATOM 999 CE LYS A 61 11.020 -76.208 -26.224 1.00 45.33 C ATOM 1000 NZ LYS A 61 11.450 -77.392 -25.430 1.00 10.54 N ATOM 0 H LYS A 61 12.519 -77.400 -30.529 1.00 52.44 H new ATOM 0 HA LYS A 61 9.828 -76.760 -31.049 1.00 34.20 H new ATOM 0 HB2 LYS A 61 11.937 -75.837 -29.088 1.00 51.55 H new ATOM 0 HB3 LYS A 61 10.375 -75.043 -29.131 1.00 51.55 H new ATOM 0 HG2 LYS A 61 9.468 -77.547 -28.985 1.00 51.23 H new ATOM 0 HG3 LYS A 61 11.057 -77.850 -28.311 1.00 51.23 H new ATOM 0 HD2 LYS A 61 9.247 -75.632 -27.290 1.00 24.24 H new ATOM 0 HD3 LYS A 61 9.196 -77.261 -26.645 1.00 24.24 H new ATOM 0 HE2 LYS A 61 11.856 -75.852 -26.826 1.00 45.33 H new ATOM 0 HE3 LYS A 61 10.746 -75.398 -25.548 1.00 45.33 H new ATOM 0 HZ1 LYS A 61 12.254 -77.130 -24.824 1.00 10.54 H new ATOM 0 HZ2 LYS A 61 10.661 -77.717 -24.836 1.00 10.54 H new ATOM 0 HZ3 LYS A 61 11.736 -78.157 -26.074 1.00 10.54 H new ATOM 1014 N GLN A 62 12.036 -74.555 -32.015 1.00 72.54 N ATOM 1015 CA GLN A 62 12.218 -73.324 -32.775 1.00 24.05 C ATOM 1016 C GLN A 62 11.314 -73.302 -34.003 1.00 23.44 C ATOM 1017 O GLN A 62 10.861 -72.242 -34.434 1.00 3.23 O ATOM 1018 CB GLN A 62 13.680 -73.174 -33.200 1.00 21.30 C ATOM 1019 CG GLN A 62 14.082 -74.104 -34.333 1.00 62.23 C ATOM 1020 CD GLN A 62 13.849 -73.493 -35.701 1.00 4.53 C ATOM 1021 OE1 GLN A 62 13.903 -72.273 -35.865 1.00 60.44 O ATOM 1022 NE2 GLN A 62 13.589 -74.338 -36.691 1.00 41.11 N ATOM 0 H GLN A 62 12.900 -75.056 -31.809 1.00 72.54 H new ATOM 0 HA GLN A 62 11.946 -72.487 -32.132 1.00 24.05 H new ATOM 0 HB2 GLN A 62 13.857 -72.143 -33.507 1.00 21.30 H new ATOM 0 HB3 GLN A 62 14.321 -73.365 -32.340 1.00 21.30 H new ATOM 0 HG2 GLN A 62 15.136 -74.362 -34.229 1.00 62.23 H new ATOM 0 HG3 GLN A 62 13.517 -75.033 -34.253 1.00 62.23 H new ATOM 0 HE21 GLN A 62 13.554 -75.341 -36.509 1.00 41.11 H new ATOM 0 HE22 GLN A 62 13.424 -73.984 -37.633 1.00 41.11 H new ATOM 1031 N TYR A 63 11.056 -74.479 -34.562 1.00 20.45 N ATOM 1032 CA TYR A 63 10.208 -74.595 -35.742 1.00 61.40 C ATOM 1033 C TYR A 63 8.832 -73.989 -35.486 1.00 34.53 C ATOM 1034 O TYR A 63 8.262 -73.326 -36.351 1.00 33.10 O ATOM 1035 CB TYR A 63 10.064 -76.062 -36.150 1.00 70.41 C ATOM 1036 CG TYR A 63 9.865 -76.261 -37.636 1.00 2.02 C ATOM 1037 CD1 TYR A 63 8.620 -76.599 -38.151 1.00 14.03 C ATOM 1038 CD2 TYR A 63 10.923 -76.112 -38.524 1.00 54.44 C ATOM 1039 CE1 TYR A 63 8.433 -76.782 -39.507 1.00 62.13 C ATOM 1040 CE2 TYR A 63 10.745 -76.291 -39.883 1.00 22.25 C ATOM 1041 CZ TYR A 63 9.499 -76.627 -40.369 1.00 51.41 C ATOM 1042 OH TYR A 63 9.318 -76.808 -41.721 1.00 43.12 O ATOM 0 H TYR A 63 11.422 -75.366 -34.217 1.00 20.45 H new ATOM 0 HA TYR A 63 10.682 -74.044 -36.554 1.00 61.40 H new ATOM 0 HB2 TYR A 63 10.954 -76.607 -35.835 1.00 70.41 H new ATOM 0 HB3 TYR A 63 9.218 -76.497 -35.617 1.00 70.41 H new ATOM 0 HD1 TYR A 63 7.783 -76.721 -37.479 1.00 14.03 H new ATOM 0 HD2 TYR A 63 11.901 -75.852 -38.146 1.00 54.44 H new ATOM 0 HE1 TYR A 63 7.458 -77.045 -39.890 1.00 62.13 H new ATOM 0 HE2 TYR A 63 11.577 -76.168 -40.560 1.00 22.25 H new ATOM 0 HH TYR A 63 10.167 -76.661 -42.187 1.00 43.12 H new ATOM 1052 N GLY A 64 8.303 -74.223 -34.288 1.00 40.11 N ATOM 1053 CA GLY A 64 6.998 -73.694 -33.937 1.00 41.43 C ATOM 1054 C GLY A 64 6.931 -73.223 -32.498 1.00 21.11 C ATOM 1055 O GLY A 64 6.882 -74.035 -31.575 1.00 21.40 O ATOM 0 H GLY A 64 8.755 -74.769 -33.555 1.00 40.11 H new ATOM 0 HA2 GLY A 64 6.756 -72.863 -34.600 1.00 41.43 H new ATOM 0 HA3 GLY A 64 6.242 -74.462 -34.100 1.00 41.43 H new ATOM 1059 N GLU A 65 6.931 -71.908 -32.306 1.00 53.42 N ATOM 1060 CA GLU A 65 6.872 -71.331 -30.968 1.00 70.30 C ATOM 1061 C GLU A 65 5.432 -71.010 -30.577 1.00 5.41 C ATOM 1062 O GLU A 65 4.975 -69.878 -30.733 1.00 30.12 O ATOM 1063 CB GLU A 65 7.727 -70.064 -30.896 1.00 71.43 C ATOM 1064 CG GLU A 65 7.703 -69.390 -29.535 1.00 21.33 C ATOM 1065 CD GLU A 65 8.914 -68.508 -29.299 1.00 54.14 C ATOM 1066 OE1 GLU A 65 9.271 -67.736 -30.214 1.00 63.30 O ATOM 1067 OE2 GLU A 65 9.503 -68.589 -28.202 1.00 1.24 O ATOM 0 H GLU A 65 6.971 -71.222 -33.060 1.00 53.42 H new ATOM 0 HA GLU A 65 7.266 -72.066 -30.266 1.00 70.30 H new ATOM 0 HB2 GLU A 65 8.757 -70.316 -31.149 1.00 71.43 H new ATOM 0 HB3 GLU A 65 7.378 -69.357 -31.648 1.00 71.43 H new ATOM 0 HG2 GLU A 65 6.798 -68.789 -29.447 1.00 21.33 H new ATOM 0 HG3 GLU A 65 7.656 -70.152 -28.757 1.00 21.33 H new TER 1074 GLU A 65