USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 813 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 92 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN : amide:sc= -1.91 K(o=-3,f=-0.93) USER MOD Set 1.3: A 103 GLN : amide:sc= -1.08 K(o=-3,f=-0.93) USER MOD Set 2.1: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 61 THR OG1 : rot 99:sc= 1.26 USER MOD Single : A 9 GLN : amide:sc= -0.907 K(o=-0.91,f=-5.4!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.01 K(o=-1,f=-0.0054) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -154:sc= 0.881 (180deg=0.468) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HE2:sc= -1.69! C(o=-1.7!,f=-3.5!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 167:sc= -1.07! (180deg=-1.49!) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 0.608 (180deg=0.531) USER MOD Single : A 64 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-7.3!) USER MOD Single : A 65 THR OG1 : rot 84:sc= 1.16 USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= -0.0233 (180deg=-0.216) USER MOD Single : A 69 SER OG : rot 72:sc= 0.0565 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.125 K(o=-0.13,f=-0.81) USER MOD Single : A 80 GLN : amide:sc= 0.439 K(o=0.44,f=-0.7) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 88 ASN : amide:sc= -0.0341 X(o=-0.034,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.273 K(o=-0.27,f=-1.2) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0361 USER MOD Single : A 95 GLN : amide:sc= -1.01 K(o=-1,f=-0.0038) USER MOD Single : A 97 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 98 MET CE :methyl 160:sc= -0.139 (180deg=-0.63) USER MOD Single : A 99 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.57) USER MOD Single : A 100 GLN : amide:sc= -2.89! K(o=-2.9!,f=-1.3) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 104 ASN : amide:sc= -0.344 K(o=-0.34,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 9 -20.731 0.599 8.837 1.00 8.26 N ATOM 2 CA GLN A 9 -19.635 0.260 9.736 1.00 8.38 C ATOM 3 C GLN A 9 -18.367 -0.066 8.952 1.00 8.05 C ATOM 4 O GLN A 9 -17.259 0.233 9.396 1.00 8.42 O ATOM 5 CB GLN A 9 -20.020 -0.929 10.621 1.00 8.41 C ATOM 6 CG GLN A 9 -21.216 -0.661 11.521 1.00 8.89 C ATOM 7 CD GLN A 9 -20.898 0.288 12.662 1.00 9.72 C ATOM 8 OE1 GLN A 9 -20.039 1.162 12.539 1.00 10.30 O ATOM 9 NE2 GLN A 9 -21.590 0.119 13.781 1.00 9.99 N ATOM 0 HA GLN A 9 -19.438 1.126 10.368 1.00 8.38 H new ATOM 0 HB2 GLN A 9 -20.240 -1.787 9.986 1.00 8.41 H new ATOM 0 HB3 GLN A 9 -19.165 -1.202 11.240 1.00 8.41 H new ATOM 0 HG2 GLN A 9 -22.027 -0.244 10.924 1.00 8.89 H new ATOM 0 HG3 GLN A 9 -21.575 -1.605 11.930 1.00 8.89 H new ATOM 0 HE21 GLN A 9 -22.293 -0.618 13.840 1.00 9.99 H new ATOM 0 HE22 GLN A 9 -21.419 0.726 14.583 1.00 9.99 H new ATOM 18 N ARG A 10 -18.538 -0.679 7.786 1.00 7.57 N ATOM 19 CA ARG A 10 -17.406 -1.048 6.942 1.00 7.46 C ATOM 20 C ARG A 10 -17.756 -0.907 5.463 1.00 6.76 C ATOM 21 O ARG A 10 -17.194 -1.598 4.614 1.00 6.75 O ATOM 22 CB ARG A 10 -16.960 -2.483 7.238 1.00 8.23 C ATOM 23 CG ARG A 10 -18.015 -3.537 6.932 1.00 8.36 C ATOM 24 CD ARG A 10 -19.071 -3.614 8.024 1.00 8.89 C ATOM 25 NE ARG A 10 -20.051 -4.663 7.765 1.00 8.82 N ATOM 26 CZ ARG A 10 -20.957 -5.064 8.655 1.00 9.40 C ATOM 27 NH1 ARG A 10 -21.004 -4.505 9.856 1.00 10.10 N ATOM 28 NH2 ARG A 10 -21.814 -6.025 8.341 1.00 9.45 N ATOM 0 H ARG A 10 -19.449 -0.931 7.403 1.00 7.57 H new ATOM 0 HA ARG A 10 -16.585 -0.368 7.169 1.00 7.46 H new ATOM 0 HB2 ARG A 10 -16.064 -2.701 6.656 1.00 8.23 H new ATOM 0 HB3 ARG A 10 -16.683 -2.556 8.290 1.00 8.23 H new ATOM 0 HG2 ARG A 10 -18.493 -3.307 5.980 1.00 8.36 H new ATOM 0 HG3 ARG A 10 -17.535 -4.510 6.821 1.00 8.36 H new ATOM 0 HD2 ARG A 10 -18.587 -3.799 8.983 1.00 8.89 H new ATOM 0 HD3 ARG A 10 -19.581 -2.654 8.104 1.00 8.89 H new ATOM 0 HE ARG A 10 -20.042 -5.115 6.851 1.00 8.82 H new ATOM 0 HH11 ARG A 10 -20.345 -3.766 10.101 1.00 10.10 H new ATOM 0 HH12 ARG A 10 -21.699 -4.814 10.536 1.00 10.10 H new ATOM 0 HH21 ARG A 10 -21.780 -6.457 7.418 1.00 9.45 H new ATOM 0 HH22 ARG A 10 -22.508 -6.332 9.023 1.00 9.45 H new ATOM 42 N ARG A 11 -18.683 -0.001 5.164 1.00 6.32 N ATOM 43 CA ARG A 11 -19.110 0.235 3.789 1.00 5.75 C ATOM 44 C ARG A 11 -17.918 0.572 2.898 1.00 5.04 C ATOM 45 O ARG A 11 -17.116 1.449 3.221 1.00 4.84 O ATOM 46 CB ARG A 11 -20.136 1.370 3.739 1.00 5.76 C ATOM 47 CG ARG A 11 -20.648 1.669 2.338 1.00 5.43 C ATOM 48 CD ARG A 11 -21.668 2.796 2.350 1.00 5.88 C ATOM 49 NE ARG A 11 -21.111 4.035 2.889 1.00 6.18 N ATOM 50 CZ ARG A 11 -21.820 5.144 3.073 1.00 6.80 C ATOM 51 NH1 ARG A 11 -23.110 5.172 2.762 1.00 7.18 N ATOM 52 NH2 ARG A 11 -21.239 6.229 3.568 1.00 7.28 N ATOM 0 H ARG A 11 -19.153 0.582 5.857 1.00 6.32 H new ATOM 0 HA ARG A 11 -19.571 -0.680 3.417 1.00 5.75 H new ATOM 0 HB2 ARG A 11 -20.981 1.113 4.378 1.00 5.76 H new ATOM 0 HB3 ARG A 11 -19.687 2.273 4.153 1.00 5.76 H new ATOM 0 HG2 ARG A 11 -19.812 1.940 1.693 1.00 5.43 H new ATOM 0 HG3 ARG A 11 -21.100 0.772 1.915 1.00 5.43 H new ATOM 0 HD2 ARG A 11 -22.026 2.971 1.336 1.00 5.88 H new ATOM 0 HD3 ARG A 11 -22.531 2.497 2.946 1.00 5.88 H new ATOM 0 HE ARG A 11 -20.122 4.049 3.138 1.00 6.18 H new ATOM 0 HH11 ARG A 11 -23.561 4.340 2.380 1.00 7.18 H new ATOM 0 HH12 ARG A 11 -23.651 6.025 2.905 1.00 7.18 H new ATOM 0 HH21 ARG A 11 -20.248 6.212 3.808 1.00 7.28 H new ATOM 0 HH22 ARG A 11 -21.784 7.080 3.709 1.00 7.28 H new ATOM 66 N ILE A 12 -17.809 -0.133 1.774 1.00 4.89 N ATOM 67 CA ILE A 12 -16.717 0.087 0.834 1.00 4.36 C ATOM 68 C ILE A 12 -16.945 1.357 0.019 1.00 3.79 C ATOM 69 O ILE A 12 -18.080 1.695 -0.318 1.00 4.02 O ATOM 70 CB ILE A 12 -16.555 -1.109 -0.127 1.00 4.71 C ATOM 71 CG1 ILE A 12 -16.408 -2.416 0.663 1.00 5.62 C ATOM 72 CG2 ILE A 12 -15.360 -0.900 -1.045 1.00 4.84 C ATOM 73 CD1 ILE A 12 -15.204 -2.447 1.581 1.00 6.21 C ATOM 0 H ILE A 12 -18.465 -0.862 1.494 1.00 4.89 H new ATOM 0 HA ILE A 12 -15.806 0.195 1.422 1.00 4.36 H new ATOM 0 HB ILE A 12 -17.451 -1.179 -0.744 1.00 4.71 H new ATOM 0 HG12 ILE A 12 -17.309 -2.574 1.256 1.00 5.62 H new ATOM 0 HG13 ILE A 12 -16.339 -3.247 -0.039 1.00 5.62 H new ATOM 0 HG21 ILE A 12 -15.262 -1.754 -1.715 1.00 4.84 H new ATOM 0 HG22 ILE A 12 -15.506 0.007 -1.632 1.00 4.84 H new ATOM 0 HG23 ILE A 12 -14.454 -0.803 -0.447 1.00 4.84 H new ATOM 0 HD11 ILE A 12 -15.170 -3.403 2.104 1.00 6.21 H new ATOM 0 HD12 ILE A 12 -14.295 -2.322 0.993 1.00 6.21 H new ATOM 0 HD13 ILE A 12 -15.280 -1.638 2.308 1.00 6.21 H new ATOM 85 N ARG A 13 -15.858 2.054 -0.293 1.00 3.43 N ATOM 86 CA ARG A 13 -15.933 3.286 -1.067 1.00 3.21 C ATOM 87 C ARG A 13 -16.226 2.980 -2.535 1.00 2.80 C ATOM 88 O ARG A 13 -16.711 1.897 -2.866 1.00 3.29 O ATOM 89 CB ARG A 13 -14.621 4.067 -0.942 1.00 3.62 C ATOM 90 CG ARG A 13 -14.803 5.577 -0.911 1.00 4.26 C ATOM 91 CD ARG A 13 -15.259 6.063 0.458 1.00 4.91 C ATOM 92 NE ARG A 13 -16.609 5.612 0.782 1.00 5.18 N ATOM 93 CZ ARG A 13 -17.121 5.639 2.010 1.00 5.90 C ATOM 94 NH1 ARG A 13 -16.397 6.089 3.026 1.00 6.31 N ATOM 95 NH2 ARG A 13 -18.359 5.214 2.223 1.00 6.48 N ATOM 0 H ARG A 13 -14.912 1.785 -0.021 1.00 3.43 H new ATOM 0 HA ARG A 13 -16.746 3.895 -0.672 1.00 3.21 H new ATOM 0 HB2 ARG A 13 -14.108 3.754 -0.032 1.00 3.62 H new ATOM 0 HB3 ARG A 13 -13.973 3.806 -1.779 1.00 3.62 H new ATOM 0 HG2 ARG A 13 -13.863 6.062 -1.174 1.00 4.26 H new ATOM 0 HG3 ARG A 13 -15.535 5.871 -1.663 1.00 4.26 H new ATOM 0 HD2 ARG A 13 -14.566 5.704 1.219 1.00 4.91 H new ATOM 0 HD3 ARG A 13 -15.225 7.152 0.485 1.00 4.91 H new ATOM 0 HE ARG A 13 -17.193 5.256 0.025 1.00 5.18 H new ATOM 0 HH11 ARG A 13 -15.444 6.416 2.868 1.00 6.31 H new ATOM 0 HH12 ARG A 13 -16.793 6.108 3.966 1.00 6.31 H new ATOM 0 HH21 ARG A 13 -18.920 4.866 1.445 1.00 6.48 H new ATOM 0 HH22 ARG A 13 -18.751 5.235 3.165 1.00 6.48 H new ATOM 109 N ARG A 14 -15.930 3.936 -3.410 1.00 2.39 N ATOM 110 CA ARG A 14 -16.166 3.759 -4.841 1.00 2.25 C ATOM 111 C ARG A 14 -15.094 4.462 -5.684 1.00 1.54 C ATOM 112 O ARG A 14 -14.506 3.839 -6.568 1.00 1.59 O ATOM 113 CB ARG A 14 -17.561 4.266 -5.224 1.00 2.88 C ATOM 114 CG ARG A 14 -17.894 4.077 -6.694 1.00 3.82 C ATOM 115 CD ARG A 14 -19.263 4.644 -7.034 1.00 4.45 C ATOM 116 NE ARG A 14 -19.339 6.081 -6.783 1.00 4.89 N ATOM 117 CZ ARG A 14 -20.341 6.851 -7.193 1.00 5.81 C ATOM 118 NH1 ARG A 14 -21.351 6.323 -7.874 1.00 6.35 N ATOM 119 NH2 ARG A 14 -20.336 8.148 -6.924 1.00 6.47 N ATOM 0 H ARG A 14 -15.528 4.838 -3.156 1.00 2.39 H new ATOM 0 HA ARG A 14 -16.108 2.691 -5.052 1.00 2.25 H new ATOM 0 HB2 ARG A 14 -18.306 3.746 -4.622 1.00 2.88 H new ATOM 0 HB3 ARG A 14 -17.634 5.325 -4.977 1.00 2.88 H new ATOM 0 HG2 ARG A 14 -17.135 4.565 -7.305 1.00 3.82 H new ATOM 0 HG3 ARG A 14 -17.868 3.016 -6.940 1.00 3.82 H new ATOM 0 HD2 ARG A 14 -19.487 4.447 -8.082 1.00 4.45 H new ATOM 0 HD3 ARG A 14 -20.024 4.132 -6.444 1.00 4.45 H new ATOM 0 HE ARG A 14 -18.579 6.519 -6.263 1.00 4.89 H new ATOM 0 HH11 ARG A 14 -21.358 5.325 -8.083 1.00 6.35 H new ATOM 0 HH12 ARG A 14 -22.119 6.916 -8.188 1.00 6.35 H new ATOM 0 HH21 ARG A 14 -19.562 8.557 -6.401 1.00 6.47 H new ATOM 0 HH22 ARG A 14 -21.106 8.737 -7.240 1.00 6.47 H new ATOM 133 N PRO A 15 -14.818 5.766 -5.438 1.00 1.40 N ATOM 134 CA PRO A 15 -13.806 6.508 -6.201 1.00 1.25 C ATOM 135 C PRO A 15 -12.464 5.783 -6.250 1.00 1.00 C ATOM 136 O PRO A 15 -11.969 5.447 -7.325 1.00 1.07 O ATOM 137 CB PRO A 15 -13.672 7.824 -5.434 1.00 1.94 C ATOM 138 CG PRO A 15 -14.985 8.000 -4.757 1.00 2.39 C ATOM 139 CD PRO A 15 -15.459 6.617 -4.412 1.00 2.07 C ATOM 0 HA PRO A 15 -14.099 6.634 -7.243 1.00 1.25 H new ATOM 0 HB2 PRO A 15 -12.857 7.781 -4.712 1.00 1.94 H new ATOM 0 HB3 PRO A 15 -13.458 8.655 -6.107 1.00 1.94 H new ATOM 0 HG2 PRO A 15 -14.884 8.613 -3.861 1.00 2.39 H new ATOM 0 HG3 PRO A 15 -15.697 8.505 -5.410 1.00 2.39 H new ATOM 0 HD2 PRO A 15 -15.157 6.329 -3.405 1.00 2.07 H new ATOM 0 HD3 PRO A 15 -16.546 6.544 -4.452 1.00 2.07 H new ATOM 147 N PHE A 16 -11.880 5.547 -5.079 1.00 0.81 N ATOM 148 CA PHE A 16 -10.595 4.864 -4.990 1.00 0.61 C ATOM 149 C PHE A 16 -10.620 3.775 -3.923 1.00 0.56 C ATOM 150 O PHE A 16 -11.300 3.903 -2.903 1.00 0.82 O ATOM 151 CB PHE A 16 -9.479 5.864 -4.685 1.00 0.81 C ATOM 152 CG PHE A 16 -9.164 6.779 -5.833 1.00 0.89 C ATOM 153 CD1 PHE A 16 -9.850 7.972 -5.996 1.00 1.09 C ATOM 154 CD2 PHE A 16 -8.179 6.444 -6.750 1.00 1.37 C ATOM 155 CE1 PHE A 16 -9.559 8.815 -7.053 1.00 1.64 C ATOM 156 CE2 PHE A 16 -7.884 7.282 -7.808 1.00 2.11 C ATOM 157 CZ PHE A 16 -8.576 8.469 -7.959 1.00 2.20 C ATOM 0 H PHE A 16 -12.276 5.819 -4.179 1.00 0.81 H new ATOM 0 HA PHE A 16 -10.402 4.394 -5.954 1.00 0.61 H new ATOM 0 HB2 PHE A 16 -9.765 6.464 -3.821 1.00 0.81 H new ATOM 0 HB3 PHE A 16 -8.578 5.317 -4.409 1.00 0.81 H new ATOM 0 HD1 PHE A 16 -10.620 8.246 -5.290 1.00 1.09 H new ATOM 0 HD2 PHE A 16 -7.636 5.517 -6.636 1.00 1.37 H new ATOM 0 HE1 PHE A 16 -10.100 9.743 -7.170 1.00 1.64 H new ATOM 0 HE2 PHE A 16 -7.115 7.010 -8.515 1.00 2.11 H new ATOM 0 HZ PHE A 16 -8.348 9.126 -8.785 1.00 2.20 H new ATOM 167 N SER A 17 -9.873 2.703 -4.168 1.00 0.42 N ATOM 168 CA SER A 17 -9.796 1.587 -3.234 1.00 0.41 C ATOM 169 C SER A 17 -8.389 1.000 -3.218 1.00 0.37 C ATOM 170 O SER A 17 -7.534 1.401 -4.008 1.00 0.35 O ATOM 171 CB SER A 17 -10.811 0.506 -3.609 1.00 0.48 C ATOM 172 OG SER A 17 -10.566 0.008 -4.913 1.00 1.35 O ATOM 0 H SER A 17 -9.310 2.584 -5.010 1.00 0.42 H new ATOM 0 HA SER A 17 -10.031 1.958 -2.237 1.00 0.41 H new ATOM 0 HB2 SER A 17 -10.760 -0.311 -2.889 1.00 0.48 H new ATOM 0 HB3 SER A 17 -11.820 0.916 -3.556 1.00 0.48 H new ATOM 0 HG SER A 17 -11.227 -0.683 -5.129 1.00 1.35 H new ATOM 178 N VAL A 18 -8.156 0.048 -2.318 1.00 0.38 N ATOM 179 CA VAL A 18 -6.851 -0.592 -2.201 1.00 0.37 C ATOM 180 C VAL A 18 -6.371 -1.118 -3.552 1.00 0.32 C ATOM 181 O VAL A 18 -5.168 -1.177 -3.818 1.00 0.30 O ATOM 182 CB VAL A 18 -6.886 -1.751 -1.180 1.00 0.42 C ATOM 183 CG1 VAL A 18 -7.890 -2.811 -1.605 1.00 0.44 C ATOM 184 CG2 VAL A 18 -5.501 -2.358 -1.002 1.00 0.44 C ATOM 0 H VAL A 18 -8.855 -0.296 -1.660 1.00 0.38 H new ATOM 0 HA VAL A 18 -6.153 0.167 -1.849 1.00 0.37 H new ATOM 0 HB VAL A 18 -7.204 -1.348 -0.219 1.00 0.42 H new ATOM 0 HG11 VAL A 18 -7.899 -3.618 -0.873 1.00 0.44 H new ATOM 0 HG12 VAL A 18 -8.883 -2.367 -1.668 1.00 0.44 H new ATOM 0 HG13 VAL A 18 -7.608 -3.209 -2.580 1.00 0.44 H new ATOM 0 HG21 VAL A 18 -5.551 -3.172 -0.279 1.00 0.44 H new ATOM 0 HG22 VAL A 18 -5.147 -2.743 -1.958 1.00 0.44 H new ATOM 0 HG23 VAL A 18 -4.812 -1.594 -0.642 1.00 0.44 H new ATOM 194 N ALA A 19 -7.320 -1.488 -4.409 1.00 0.33 N ATOM 195 CA ALA A 19 -6.998 -2.001 -5.736 1.00 0.32 C ATOM 196 C ALA A 19 -6.196 -0.981 -6.533 1.00 0.28 C ATOM 197 O ALA A 19 -5.143 -1.300 -7.088 1.00 0.33 O ATOM 198 CB ALA A 19 -8.270 -2.376 -6.482 1.00 0.37 C ATOM 0 H ALA A 19 -8.319 -1.442 -4.207 1.00 0.33 H new ATOM 0 HA ALA A 19 -6.386 -2.895 -5.616 1.00 0.32 H new ATOM 0 HB1 ALA A 19 -8.013 -2.757 -7.470 1.00 0.37 H new ATOM 0 HB2 ALA A 19 -8.806 -3.145 -5.925 1.00 0.37 H new ATOM 0 HB3 ALA A 19 -8.904 -1.495 -6.586 1.00 0.37 H new ATOM 204 N GLU A 20 -6.698 0.249 -6.590 1.00 0.27 N ATOM 205 CA GLU A 20 -6.023 1.320 -7.314 1.00 0.27 C ATOM 206 C GLU A 20 -4.725 1.700 -6.611 1.00 0.25 C ATOM 207 O GLU A 20 -3.730 2.036 -7.257 1.00 0.25 O ATOM 208 CB GLU A 20 -6.936 2.543 -7.432 1.00 0.34 C ATOM 209 CG GLU A 20 -6.329 3.680 -8.239 1.00 1.24 C ATOM 210 CD GLU A 20 -6.017 3.282 -9.667 1.00 1.97 C ATOM 211 OE1 GLU A 20 -6.905 3.431 -10.534 1.00 2.38 O ATOM 212 OE2 GLU A 20 -4.885 2.820 -9.920 1.00 2.51 O ATOM 0 H GLU A 20 -7.571 0.529 -6.143 1.00 0.27 H new ATOM 0 HA GLU A 20 -5.787 0.963 -8.316 1.00 0.27 H new ATOM 0 HB2 GLU A 20 -7.876 2.241 -7.895 1.00 0.34 H new ATOM 0 HB3 GLU A 20 -7.175 2.905 -6.432 1.00 0.34 H new ATOM 0 HG2 GLU A 20 -7.018 4.525 -8.244 1.00 1.24 H new ATOM 0 HG3 GLU A 20 -5.414 4.018 -7.752 1.00 1.24 H new ATOM 219 N VAL A 21 -4.746 1.647 -5.282 1.00 0.26 N ATOM 220 CA VAL A 21 -3.571 1.975 -4.486 1.00 0.27 C ATOM 221 C VAL A 21 -2.385 1.113 -4.900 1.00 0.21 C ATOM 222 O VAL A 21 -1.238 1.548 -4.826 1.00 0.22 O ATOM 223 CB VAL A 21 -3.840 1.785 -2.978 1.00 0.34 C ATOM 224 CG1 VAL A 21 -2.590 2.087 -2.164 1.00 0.40 C ATOM 225 CG2 VAL A 21 -4.997 2.662 -2.529 1.00 0.42 C ATOM 0 H VAL A 21 -5.565 1.380 -4.735 1.00 0.26 H new ATOM 0 HA VAL A 21 -3.339 3.024 -4.668 1.00 0.27 H new ATOM 0 HB VAL A 21 -4.112 0.743 -2.808 1.00 0.34 H new ATOM 0 HG11 VAL A 21 -2.803 1.947 -1.104 1.00 0.40 H new ATOM 0 HG12 VAL A 21 -1.788 1.413 -2.465 1.00 0.40 H new ATOM 0 HG13 VAL A 21 -2.282 3.118 -2.339 1.00 0.40 H new ATOM 0 HG21 VAL A 21 -5.173 2.515 -1.463 1.00 0.42 H new ATOM 0 HG22 VAL A 21 -4.755 3.708 -2.716 1.00 0.42 H new ATOM 0 HG23 VAL A 21 -5.895 2.393 -3.085 1.00 0.42 H new ATOM 235 N GLU A 22 -2.672 -0.112 -5.339 1.00 0.21 N ATOM 236 CA GLU A 22 -1.627 -1.033 -5.776 1.00 0.22 C ATOM 237 C GLU A 22 -0.713 -0.359 -6.797 1.00 0.22 C ATOM 238 O GLU A 22 0.504 -0.309 -6.617 1.00 0.25 O ATOM 239 CB GLU A 22 -2.249 -2.298 -6.374 1.00 0.25 C ATOM 240 CG GLU A 22 -1.273 -3.458 -6.521 1.00 1.19 C ATOM 241 CD GLU A 22 -0.254 -3.237 -7.622 1.00 1.71 C ATOM 242 OE1 GLU A 22 -0.612 -3.413 -8.805 1.00 1.91 O ATOM 243 OE2 GLU A 22 0.900 -2.887 -7.299 1.00 2.37 O ATOM 0 H GLU A 22 -3.618 -0.488 -5.401 1.00 0.21 H new ATOM 0 HA GLU A 22 -1.029 -1.314 -4.909 1.00 0.22 H new ATOM 0 HB2 GLU A 22 -3.081 -2.614 -5.745 1.00 0.25 H new ATOM 0 HB3 GLU A 22 -2.663 -2.059 -7.353 1.00 0.25 H new ATOM 0 HG2 GLU A 22 -0.752 -3.609 -5.576 1.00 1.19 H new ATOM 0 HG3 GLU A 22 -1.831 -4.371 -6.727 1.00 1.19 H new ATOM 250 N ALA A 23 -1.308 0.155 -7.868 1.00 0.22 N ATOM 251 CA ALA A 23 -0.545 0.838 -8.904 1.00 0.29 C ATOM 252 C ALA A 23 0.148 2.064 -8.323 1.00 0.29 C ATOM 253 O ALA A 23 1.316 2.333 -8.616 1.00 0.33 O ATOM 254 CB ALA A 23 -1.455 1.236 -10.056 1.00 0.35 C ATOM 0 H ALA A 23 -2.312 0.112 -8.040 1.00 0.22 H new ATOM 0 HA ALA A 23 0.215 0.157 -9.286 1.00 0.29 H new ATOM 0 HB1 ALA A 23 -0.870 1.745 -10.822 1.00 0.35 H new ATOM 0 HB2 ALA A 23 -1.913 0.344 -10.483 1.00 0.35 H new ATOM 0 HB3 ALA A 23 -2.234 1.905 -9.690 1.00 0.35 H new ATOM 260 N LEU A 24 -0.582 2.798 -7.489 1.00 0.27 N ATOM 261 CA LEU A 24 -0.043 3.992 -6.853 1.00 0.32 C ATOM 262 C LEU A 24 1.170 3.632 -6.004 1.00 0.31 C ATOM 263 O LEU A 24 2.045 4.463 -5.765 1.00 0.35 O ATOM 264 CB LEU A 24 -1.113 4.664 -5.987 1.00 0.37 C ATOM 265 CG LEU A 24 -0.690 5.983 -5.334 1.00 0.46 C ATOM 266 CD1 LEU A 24 -0.367 7.025 -6.392 1.00 0.54 C ATOM 267 CD2 LEU A 24 -1.783 6.487 -4.403 1.00 0.53 C ATOM 0 H LEU A 24 -1.548 2.586 -7.239 1.00 0.27 H new ATOM 0 HA LEU A 24 0.266 4.691 -7.630 1.00 0.32 H new ATOM 0 HB2 LEU A 24 -1.993 4.848 -6.603 1.00 0.37 H new ATOM 0 HB3 LEU A 24 -1.412 3.969 -5.203 1.00 0.37 H new ATOM 0 HG LEU A 24 0.210 5.804 -4.746 1.00 0.46 H new ATOM 0 HD11 LEU A 24 -0.069 7.955 -5.908 1.00 0.54 H new ATOM 0 HD12 LEU A 24 0.448 6.665 -7.020 1.00 0.54 H new ATOM 0 HD13 LEU A 24 -1.248 7.203 -7.008 1.00 0.54 H new ATOM 0 HD21 LEU A 24 -1.468 7.425 -3.946 1.00 0.53 H new ATOM 0 HD22 LEU A 24 -2.699 6.650 -4.971 1.00 0.53 H new ATOM 0 HD23 LEU A 24 -1.966 5.748 -3.623 1.00 0.53 H new ATOM 279 N VAL A 25 1.213 2.380 -5.559 1.00 0.35 N ATOM 280 CA VAL A 25 2.316 1.890 -4.747 1.00 0.42 C ATOM 281 C VAL A 25 3.539 1.615 -5.614 1.00 0.40 C ATOM 282 O VAL A 25 4.668 1.905 -5.221 1.00 0.40 O ATOM 283 CB VAL A 25 1.923 0.609 -3.980 1.00 0.57 C ATOM 284 CG1 VAL A 25 3.154 -0.164 -3.529 1.00 1.22 C ATOM 285 CG2 VAL A 25 1.042 0.956 -2.789 1.00 0.47 C ATOM 0 H VAL A 25 0.491 1.685 -5.750 1.00 0.35 H new ATOM 0 HA VAL A 25 2.558 2.666 -4.021 1.00 0.42 H new ATOM 0 HB VAL A 25 1.359 -0.031 -4.658 1.00 0.57 H new ATOM 0 HG11 VAL A 25 2.844 -1.060 -2.992 1.00 1.22 H new ATOM 0 HG12 VAL A 25 3.744 -0.449 -4.400 1.00 1.22 H new ATOM 0 HG13 VAL A 25 3.757 0.463 -2.872 1.00 1.22 H new ATOM 0 HG21 VAL A 25 0.773 0.043 -2.258 1.00 0.47 H new ATOM 0 HG22 VAL A 25 1.584 1.621 -2.117 1.00 0.47 H new ATOM 0 HG23 VAL A 25 0.137 1.453 -3.138 1.00 0.47 H new ATOM 295 N GLN A 26 3.303 1.057 -6.797 1.00 0.43 N ATOM 296 CA GLN A 26 4.384 0.753 -7.725 1.00 0.49 C ATOM 297 C GLN A 26 5.032 2.041 -8.225 1.00 0.46 C ATOM 298 O GLN A 26 6.170 2.037 -8.695 1.00 0.54 O ATOM 299 CB GLN A 26 3.855 -0.063 -8.907 1.00 0.55 C ATOM 300 CG GLN A 26 4.937 -0.500 -9.882 1.00 0.67 C ATOM 301 CD GLN A 26 4.390 -1.307 -11.044 1.00 0.91 C ATOM 302 OE1 GLN A 26 4.927 -1.264 -12.152 1.00 1.33 O ATOM 303 NE2 GLN A 26 3.316 -2.051 -10.800 1.00 1.65 N ATOM 0 H GLN A 26 2.374 0.807 -7.135 1.00 0.43 H new ATOM 0 HA GLN A 26 5.136 0.164 -7.200 1.00 0.49 H new ATOM 0 HB2 GLN A 26 3.343 -0.947 -8.527 1.00 0.55 H new ATOM 0 HB3 GLN A 26 3.113 0.529 -9.443 1.00 0.55 H new ATOM 0 HG2 GLN A 26 5.450 0.381 -10.267 1.00 0.67 H new ATOM 0 HG3 GLN A 26 5.680 -1.095 -9.351 1.00 0.67 H new ATOM 0 HE21 GLN A 26 2.902 -2.058 -9.868 1.00 1.65 H new ATOM 0 HE22 GLN A 26 2.906 -2.615 -11.545 1.00 1.65 H new ATOM 312 N ALA A 27 4.291 3.138 -8.129 1.00 0.39 N ATOM 313 CA ALA A 27 4.784 4.440 -8.565 1.00 0.42 C ATOM 314 C ALA A 27 5.544 5.168 -7.454 1.00 0.38 C ATOM 315 O ALA A 27 6.545 5.836 -7.713 1.00 0.42 O ATOM 316 CB ALA A 27 3.630 5.299 -9.060 1.00 0.44 C ATOM 0 H ALA A 27 3.343 3.152 -7.752 1.00 0.39 H new ATOM 0 HA ALA A 27 5.485 4.267 -9.382 1.00 0.42 H new ATOM 0 HB1 ALA A 27 4.010 6.268 -9.383 1.00 0.44 H new ATOM 0 HB2 ALA A 27 3.141 4.803 -9.899 1.00 0.44 H new ATOM 0 HB3 ALA A 27 2.911 5.442 -8.254 1.00 0.44 H new ATOM 322 N VAL A 28 5.064 5.037 -6.219 1.00 0.31 N ATOM 323 CA VAL A 28 5.688 5.708 -5.077 1.00 0.29 C ATOM 324 C VAL A 28 6.842 4.907 -4.476 1.00 0.29 C ATOM 325 O VAL A 28 7.665 5.454 -3.745 1.00 0.29 O ATOM 326 CB VAL A 28 4.661 6.000 -3.966 1.00 0.29 C ATOM 327 CG1 VAL A 28 3.550 6.899 -4.487 1.00 0.33 C ATOM 328 CG2 VAL A 28 4.092 4.704 -3.407 1.00 0.31 C ATOM 0 H VAL A 28 4.247 4.474 -5.982 1.00 0.31 H new ATOM 0 HA VAL A 28 6.086 6.643 -5.471 1.00 0.29 H new ATOM 0 HB VAL A 28 5.170 6.523 -3.157 1.00 0.29 H new ATOM 0 HG11 VAL A 28 2.835 7.094 -3.688 1.00 0.33 H new ATOM 0 HG12 VAL A 28 3.976 7.842 -4.831 1.00 0.33 H new ATOM 0 HG13 VAL A 28 3.042 6.407 -5.316 1.00 0.33 H new ATOM 0 HG21 VAL A 28 3.369 4.932 -2.624 1.00 0.31 H new ATOM 0 HG22 VAL A 28 3.599 4.149 -4.205 1.00 0.31 H new ATOM 0 HG23 VAL A 28 4.900 4.102 -2.991 1.00 0.31 H new ATOM 338 N GLU A 29 6.904 3.615 -4.778 1.00 0.34 N ATOM 339 CA GLU A 29 7.963 2.760 -4.241 1.00 0.41 C ATOM 340 C GLU A 29 9.355 3.280 -4.603 1.00 0.43 C ATOM 341 O GLU A 29 10.358 2.794 -4.078 1.00 0.48 O ATOM 342 CB GLU A 29 7.801 1.322 -4.738 1.00 0.50 C ATOM 343 CG GLU A 29 7.559 1.216 -6.234 1.00 0.53 C ATOM 344 CD GLU A 29 7.847 -0.171 -6.774 1.00 0.66 C ATOM 345 OE1 GLU A 29 6.953 -1.040 -6.687 1.00 0.70 O ATOM 346 OE2 GLU A 29 8.967 -0.389 -7.283 1.00 0.73 O ATOM 0 H GLU A 29 6.240 3.137 -5.387 1.00 0.34 H new ATOM 0 HA GLU A 29 7.869 2.778 -3.155 1.00 0.41 H new ATOM 0 HB2 GLU A 29 8.697 0.756 -4.483 1.00 0.50 H new ATOM 0 HB3 GLU A 29 6.969 0.856 -4.210 1.00 0.50 H new ATOM 0 HG2 GLU A 29 6.523 1.478 -6.450 1.00 0.53 H new ATOM 0 HG3 GLU A 29 8.186 1.941 -6.752 1.00 0.53 H new ATOM 353 N LYS A 30 9.418 4.264 -5.497 1.00 0.41 N ATOM 354 CA LYS A 30 10.697 4.830 -5.916 1.00 0.46 C ATOM 355 C LYS A 30 10.916 6.230 -5.341 1.00 0.41 C ATOM 356 O LYS A 30 11.988 6.531 -4.817 1.00 0.42 O ATOM 357 CB LYS A 30 10.781 4.878 -7.443 1.00 0.55 C ATOM 358 CG LYS A 30 9.629 5.626 -8.093 1.00 0.52 C ATOM 359 CD LYS A 30 9.865 5.842 -9.579 1.00 0.62 C ATOM 360 CE LYS A 30 9.865 4.528 -10.346 1.00 1.57 C ATOM 361 NZ LYS A 30 10.091 4.735 -11.803 1.00 1.78 N ATOM 0 H LYS A 30 8.603 4.684 -5.943 1.00 0.41 H new ATOM 0 HA LYS A 30 11.483 4.182 -5.528 1.00 0.46 H new ATOM 0 HB2 LYS A 30 11.719 5.351 -7.732 1.00 0.55 H new ATOM 0 HB3 LYS A 30 10.805 3.859 -7.829 1.00 0.55 H new ATOM 0 HG2 LYS A 30 8.705 5.067 -7.949 1.00 0.52 H new ATOM 0 HG3 LYS A 30 9.498 6.590 -7.602 1.00 0.52 H new ATOM 0 HD2 LYS A 30 9.091 6.497 -9.979 1.00 0.62 H new ATOM 0 HD3 LYS A 30 10.819 6.349 -9.726 1.00 0.62 H new ATOM 0 HE2 LYS A 30 10.642 3.875 -9.947 1.00 1.57 H new ATOM 0 HE3 LYS A 30 8.913 4.020 -10.195 1.00 1.57 H new ATOM 0 HZ1 LYS A 30 10.084 3.816 -12.289 1.00 1.78 H new ATOM 0 HZ2 LYS A 30 9.336 5.337 -12.189 1.00 1.78 H new ATOM 0 HZ3 LYS A 30 11.011 5.197 -11.949 1.00 1.78 H new ATOM 375 N LEU A 31 9.898 7.083 -5.438 1.00 0.40 N ATOM 376 CA LEU A 31 9.997 8.452 -4.937 1.00 0.40 C ATOM 377 C LEU A 31 9.064 8.681 -3.751 1.00 0.32 C ATOM 378 O LEU A 31 8.557 9.787 -3.552 1.00 0.39 O ATOM 379 CB LEU A 31 9.683 9.447 -6.059 1.00 0.53 C ATOM 380 CG LEU A 31 8.494 9.080 -6.954 1.00 0.63 C ATOM 381 CD1 LEU A 31 7.176 9.292 -6.224 1.00 0.83 C ATOM 382 CD2 LEU A 31 8.526 9.893 -8.240 1.00 0.99 C ATOM 0 H LEU A 31 8.998 6.851 -5.858 1.00 0.40 H new ATOM 0 HA LEU A 31 11.019 8.611 -4.592 1.00 0.40 H new ATOM 0 HB2 LEU A 31 9.491 10.423 -5.612 1.00 0.53 H new ATOM 0 HB3 LEU A 31 10.568 9.552 -6.686 1.00 0.53 H new ATOM 0 HG LEU A 31 8.574 8.023 -7.207 1.00 0.63 H new ATOM 0 HD11 LEU A 31 6.349 9.024 -6.881 1.00 0.83 H new ATOM 0 HD12 LEU A 31 7.149 8.665 -5.333 1.00 0.83 H new ATOM 0 HD13 LEU A 31 7.085 10.339 -5.934 1.00 0.83 H new ATOM 0 HD21 LEU A 31 7.675 9.620 -8.864 1.00 0.99 H new ATOM 0 HD22 LEU A 31 8.475 10.955 -8.000 1.00 0.99 H new ATOM 0 HD23 LEU A 31 9.451 9.687 -8.778 1.00 0.99 H new ATOM 394 N GLY A 32 8.853 7.638 -2.959 1.00 0.26 N ATOM 395 CA GLY A 32 7.977 7.747 -1.806 1.00 0.31 C ATOM 396 C GLY A 32 8.698 8.246 -0.568 1.00 0.29 C ATOM 397 O GLY A 32 9.860 8.649 -0.637 1.00 0.30 O ATOM 0 H GLY A 32 9.272 6.718 -3.093 1.00 0.26 H new ATOM 0 HA2 GLY A 32 7.156 8.425 -2.041 1.00 0.31 H new ATOM 0 HA3 GLY A 32 7.536 6.772 -1.597 1.00 0.31 H new ATOM 401 N THR A 33 8.002 8.223 0.564 1.00 0.33 N ATOM 402 CA THR A 33 8.568 8.670 1.829 1.00 0.39 C ATOM 403 C THR A 33 8.062 7.813 2.983 1.00 0.44 C ATOM 404 O THR A 33 8.826 7.435 3.872 1.00 0.53 O ATOM 405 CB THR A 33 8.213 10.140 2.108 1.00 0.45 C ATOM 406 OG1 THR A 33 6.828 10.373 1.828 1.00 1.09 O ATOM 407 CG2 THR A 33 9.073 11.076 1.268 1.00 1.39 C ATOM 0 H THR A 33 7.038 7.897 0.629 1.00 0.33 H new ATOM 0 HA THR A 33 9.651 8.572 1.749 1.00 0.39 H new ATOM 0 HB THR A 33 8.408 10.343 3.161 1.00 0.45 H new ATOM 0 HG1 THR A 33 6.611 11.311 2.010 1.00 1.09 H new ATOM 0 HG21 THR A 33 8.803 12.110 1.483 1.00 1.39 H new ATOM 0 HG22 THR A 33 10.124 10.918 1.508 1.00 1.39 H new ATOM 0 HG23 THR A 33 8.908 10.871 0.210 1.00 1.39 H new ATOM 415 N GLY A 34 6.769 7.511 2.961 1.00 0.42 N ATOM 416 CA GLY A 34 6.173 6.700 4.006 1.00 0.48 C ATOM 417 C GLY A 34 4.711 6.396 3.740 1.00 0.43 C ATOM 418 O GLY A 34 3.949 6.144 4.672 1.00 0.47 O ATOM 0 H GLY A 34 6.120 7.815 2.235 1.00 0.42 H new ATOM 0 HA2 GLY A 34 6.725 5.765 4.095 1.00 0.48 H new ATOM 0 HA3 GLY A 34 6.266 7.217 4.961 1.00 0.48 H new ATOM 422 N ARG A 35 4.327 6.430 2.461 1.00 0.40 N ATOM 423 CA ARG A 35 2.954 6.157 2.041 1.00 0.43 C ATOM 424 C ARG A 35 1.942 6.883 2.924 1.00 0.36 C ATOM 425 O ARG A 35 0.805 6.440 3.071 1.00 0.41 O ATOM 426 CB ARG A 35 2.669 4.647 2.035 1.00 0.58 C ATOM 427 CG ARG A 35 2.499 4.034 3.417 1.00 0.75 C ATOM 428 CD ARG A 35 1.853 2.660 3.337 1.00 1.29 C ATOM 429 NE ARG A 35 0.589 2.694 2.607 1.00 2.40 N ATOM 430 CZ ARG A 35 -0.426 1.870 2.847 1.00 3.34 C ATOM 431 NH1 ARG A 35 -0.331 0.951 3.798 1.00 3.42 N ATOM 432 NH2 ARG A 35 -1.541 1.965 2.134 1.00 4.45 N ATOM 0 H ARG A 35 4.959 6.647 1.691 1.00 0.40 H new ATOM 0 HA ARG A 35 2.847 6.535 1.024 1.00 0.43 H new ATOM 0 HB2 ARG A 35 1.765 4.463 1.455 1.00 0.58 H new ATOM 0 HB3 ARG A 35 3.485 4.138 1.523 1.00 0.58 H new ATOM 0 HG2 ARG A 35 3.471 3.953 3.903 1.00 0.75 H new ATOM 0 HG3 ARG A 35 1.887 4.690 4.035 1.00 0.75 H new ATOM 0 HD2 ARG A 35 2.536 1.966 2.848 1.00 1.29 H new ATOM 0 HD3 ARG A 35 1.680 2.281 4.344 1.00 1.29 H new ATOM 0 HE ARG A 35 0.478 3.390 1.870 1.00 2.40 H new ATOM 0 HH11 ARG A 35 0.524 0.874 4.349 1.00 3.42 H new ATOM 0 HH12 ARG A 35 -1.113 0.321 3.978 1.00 3.42 H new ATOM 0 HH21 ARG A 35 -1.619 2.670 1.401 1.00 4.45 H new ATOM 0 HH22 ARG A 35 -2.320 1.333 2.318 1.00 4.45 H new ATOM 446 N TRP A 36 2.357 8.007 3.498 1.00 0.34 N ATOM 447 CA TRP A 36 1.479 8.790 4.359 1.00 0.41 C ATOM 448 C TRP A 36 0.205 9.174 3.614 1.00 0.43 C ATOM 449 O TRP A 36 -0.904 9.037 4.135 1.00 0.46 O ATOM 450 CB TRP A 36 2.197 10.049 4.848 1.00 0.53 C ATOM 451 CG TRP A 36 3.525 9.768 5.482 1.00 0.82 C ATOM 452 CD1 TRP A 36 4.745 9.786 4.869 1.00 0.66 C ATOM 453 CD2 TRP A 36 3.769 9.426 6.851 1.00 1.81 C ATOM 454 NE1 TRP A 36 5.732 9.475 5.773 1.00 1.43 N ATOM 455 CE2 TRP A 36 5.158 9.250 6.997 1.00 2.20 C ATOM 456 CE3 TRP A 36 2.946 9.251 7.968 1.00 2.46 C ATOM 457 CZ2 TRP A 36 5.742 8.909 8.215 1.00 3.23 C ATOM 458 CZ3 TRP A 36 3.528 8.913 9.177 1.00 3.49 C ATOM 459 CH2 TRP A 36 4.913 8.745 9.290 1.00 3.87 C ATOM 0 H TRP A 36 3.293 8.395 3.383 1.00 0.34 H new ATOM 0 HA TRP A 36 1.211 8.179 5.221 1.00 0.41 H new ATOM 0 HB2 TRP A 36 2.341 10.727 4.006 1.00 0.53 H new ATOM 0 HB3 TRP A 36 1.561 10.565 5.567 1.00 0.53 H new ATOM 0 HD1 TRP A 36 4.910 10.012 3.826 1.00 0.66 H new ATOM 0 HE1 TRP A 36 6.729 9.420 5.567 1.00 1.43 H new ATOM 0 HE3 TRP A 36 1.876 9.377 7.889 1.00 2.46 H new ATOM 0 HZ2 TRP A 36 6.810 8.779 8.307 1.00 3.23 H new ATOM 0 HZ3 TRP A 36 2.904 8.777 10.048 1.00 3.49 H new ATOM 0 HH2 TRP A 36 5.336 8.480 10.248 1.00 3.87 H new ATOM 470 N ARG A 37 0.373 9.644 2.381 1.00 0.47 N ATOM 471 CA ARG A 37 -0.756 10.054 1.557 1.00 0.58 C ATOM 472 C ARG A 37 -1.556 8.845 1.086 1.00 0.56 C ATOM 473 O ARG A 37 -2.778 8.914 0.940 1.00 0.64 O ATOM 474 CB ARG A 37 -0.255 10.854 0.357 1.00 0.71 C ATOM 475 CG ARG A 37 0.804 10.126 -0.454 1.00 0.74 C ATOM 476 CD ARG A 37 1.603 11.090 -1.310 1.00 1.05 C ATOM 477 NE ARG A 37 2.478 10.395 -2.250 1.00 1.93 N ATOM 478 CZ ARG A 37 3.140 11.004 -3.231 1.00 2.42 C ATOM 479 NH1 ARG A 37 3.024 12.315 -3.400 1.00 2.16 N ATOM 480 NH2 ARG A 37 3.916 10.301 -4.043 1.00 3.51 N ATOM 0 H ARG A 37 1.282 9.750 1.931 1.00 0.47 H new ATOM 0 HA ARG A 37 -1.414 10.680 2.159 1.00 0.58 H new ATOM 0 HB2 ARG A 37 -1.099 11.090 -0.291 1.00 0.71 H new ATOM 0 HB3 ARG A 37 0.154 11.802 0.707 1.00 0.71 H new ATOM 0 HG2 ARG A 37 1.475 9.591 0.218 1.00 0.74 H new ATOM 0 HG3 ARG A 37 0.328 9.380 -1.090 1.00 0.74 H new ATOM 0 HD2 ARG A 37 0.920 11.736 -1.861 1.00 1.05 H new ATOM 0 HD3 ARG A 37 2.202 11.734 -0.667 1.00 1.05 H new ATOM 0 HE ARG A 37 2.588 9.386 -2.149 1.00 1.93 H new ATOM 0 HH11 ARG A 37 2.426 12.859 -2.777 1.00 2.16 H new ATOM 0 HH12 ARG A 37 3.532 12.779 -4.153 1.00 2.16 H new ATOM 0 HH21 ARG A 37 4.006 9.293 -3.916 1.00 3.51 H new ATOM 0 HH22 ARG A 37 4.423 10.768 -4.795 1.00 3.51 H new ATOM 494 N ASP A 38 -0.860 7.735 0.854 1.00 0.52 N ATOM 495 CA ASP A 38 -1.505 6.512 0.398 1.00 0.61 C ATOM 496 C ASP A 38 -2.433 5.961 1.473 1.00 0.58 C ATOM 497 O ASP A 38 -3.623 5.764 1.238 1.00 0.69 O ATOM 498 CB ASP A 38 -0.454 5.463 0.028 1.00 0.66 C ATOM 499 CG ASP A 38 0.471 5.936 -1.077 1.00 1.34 C ATOM 500 OD1 ASP A 38 1.423 6.683 -0.775 1.00 2.19 O ATOM 501 OD2 ASP A 38 0.243 5.555 -2.244 1.00 1.36 O ATOM 0 H ASP A 38 0.150 7.660 0.975 1.00 0.52 H new ATOM 0 HA ASP A 38 -2.097 6.748 -0.486 1.00 0.61 H new ATOM 0 HB2 ASP A 38 0.136 5.216 0.911 1.00 0.66 H new ATOM 0 HB3 ASP A 38 -0.954 4.547 -0.288 1.00 0.66 H new ATOM 506 N VAL A 39 -1.876 5.716 2.653 1.00 0.50 N ATOM 507 CA VAL A 39 -2.647 5.191 3.771 1.00 0.55 C ATOM 508 C VAL A 39 -3.801 6.124 4.128 1.00 0.52 C ATOM 509 O VAL A 39 -4.857 5.677 4.576 1.00 0.58 O ATOM 510 CB VAL A 39 -1.757 4.982 5.013 1.00 0.61 C ATOM 511 CG1 VAL A 39 -1.233 6.314 5.533 1.00 1.61 C ATOM 512 CG2 VAL A 39 -2.518 4.239 6.098 1.00 1.33 C ATOM 0 H VAL A 39 -0.890 5.874 2.860 1.00 0.50 H new ATOM 0 HA VAL A 39 -3.051 4.228 3.458 1.00 0.55 H new ATOM 0 HB VAL A 39 -0.901 4.374 4.721 1.00 0.61 H new ATOM 0 HG11 VAL A 39 -0.608 6.142 6.409 1.00 1.61 H new ATOM 0 HG12 VAL A 39 -0.643 6.801 4.756 1.00 1.61 H new ATOM 0 HG13 VAL A 39 -2.072 6.954 5.806 1.00 1.61 H new ATOM 0 HG21 VAL A 39 -1.873 4.101 6.966 1.00 1.33 H new ATOM 0 HG22 VAL A 39 -3.396 4.816 6.387 1.00 1.33 H new ATOM 0 HG23 VAL A 39 -2.831 3.265 5.721 1.00 1.33 H new ATOM 522 N LYS A 40 -3.590 7.421 3.924 1.00 0.48 N ATOM 523 CA LYS A 40 -4.614 8.417 4.223 1.00 0.55 C ATOM 524 C LYS A 40 -5.831 8.251 3.318 1.00 0.62 C ATOM 525 O LYS A 40 -6.970 8.288 3.783 1.00 0.65 O ATOM 526 CB LYS A 40 -4.043 9.828 4.071 1.00 0.63 C ATOM 527 CG LYS A 40 -3.388 10.363 5.336 1.00 0.70 C ATOM 528 CD LYS A 40 -4.422 10.716 6.396 1.00 1.42 C ATOM 529 CE LYS A 40 -5.260 11.917 5.982 1.00 1.63 C ATOM 530 NZ LYS A 40 -6.272 12.272 7.015 1.00 2.16 N ATOM 0 H LYS A 40 -2.721 7.806 3.554 1.00 0.48 H new ATOM 0 HA LYS A 40 -4.933 8.266 5.254 1.00 0.55 H new ATOM 0 HB2 LYS A 40 -3.310 9.829 3.265 1.00 0.63 H new ATOM 0 HB3 LYS A 40 -4.844 10.504 3.773 1.00 0.63 H new ATOM 0 HG2 LYS A 40 -2.699 9.617 5.733 1.00 0.70 H new ATOM 0 HG3 LYS A 40 -2.797 11.247 5.095 1.00 0.70 H new ATOM 0 HD2 LYS A 40 -5.073 9.859 6.569 1.00 1.42 H new ATOM 0 HD3 LYS A 40 -3.919 10.930 7.339 1.00 1.42 H new ATOM 0 HE2 LYS A 40 -4.607 12.772 5.805 1.00 1.63 H new ATOM 0 HE3 LYS A 40 -5.764 11.701 5.040 1.00 1.63 H new ATOM 0 HZ1 LYS A 40 -7.074 12.757 6.563 1.00 2.16 H new ATOM 0 HZ2 LYS A 40 -6.610 11.406 7.482 1.00 2.16 H new ATOM 0 HZ3 LYS A 40 -5.841 12.901 7.722 1.00 2.16 H new ATOM 544 N LEU A 41 -5.587 8.072 2.023 1.00 0.68 N ATOM 545 CA LEU A 41 -6.671 7.913 1.057 1.00 0.80 C ATOM 546 C LEU A 41 -6.693 6.505 0.471 1.00 0.81 C ATOM 547 O LEU A 41 -7.191 6.294 -0.634 1.00 0.94 O ATOM 548 CB LEU A 41 -6.539 8.942 -0.073 1.00 0.94 C ATOM 549 CG LEU A 41 -6.894 10.390 0.293 1.00 1.31 C ATOM 550 CD1 LEU A 41 -8.301 10.472 0.866 1.00 1.94 C ATOM 551 CD2 LEU A 41 -5.882 10.965 1.273 1.00 1.76 C ATOM 0 H LEU A 41 -4.651 8.033 1.619 1.00 0.68 H new ATOM 0 HA LEU A 41 -7.609 8.078 1.587 1.00 0.80 H new ATOM 0 HB2 LEU A 41 -5.512 8.922 -0.439 1.00 0.94 H new ATOM 0 HB3 LEU A 41 -7.178 8.630 -0.899 1.00 0.94 H new ATOM 0 HG LEU A 41 -6.861 10.986 -0.619 1.00 1.31 H new ATOM 0 HD11 LEU A 41 -8.531 11.507 1.118 1.00 1.94 H new ATOM 0 HD12 LEU A 41 -9.016 10.111 0.127 1.00 1.94 H new ATOM 0 HD13 LEU A 41 -8.365 9.857 1.764 1.00 1.94 H new ATOM 0 HD21 LEU A 41 -6.155 11.992 1.517 1.00 1.76 H new ATOM 0 HD22 LEU A 41 -5.875 10.365 2.183 1.00 1.76 H new ATOM 0 HD23 LEU A 41 -4.890 10.951 0.822 1.00 1.76 H new ATOM 563 N CYS A 42 -6.158 5.542 1.218 1.00 0.71 N ATOM 564 CA CYS A 42 -6.123 4.160 0.757 1.00 0.77 C ATOM 565 C CYS A 42 -7.528 3.675 0.424 1.00 0.83 C ATOM 566 O CYS A 42 -7.752 3.053 -0.615 1.00 0.98 O ATOM 567 CB CYS A 42 -5.496 3.259 1.822 1.00 0.70 C ATOM 568 SG CYS A 42 -5.397 1.515 1.350 1.00 1.02 S ATOM 0 H CYS A 42 -5.746 5.693 2.139 1.00 0.71 H new ATOM 0 HA CYS A 42 -5.513 4.114 -0.145 1.00 0.77 H new ATOM 0 HB2 CYS A 42 -4.492 3.622 2.044 1.00 0.70 H new ATOM 0 HB3 CYS A 42 -6.076 3.343 2.741 1.00 0.70 H new ATOM 0 HG CYS A 42 -4.851 0.835 2.314 1.00 1.02 H new ATOM 574 N ALA A 43 -8.467 3.977 1.315 1.00 0.74 N ATOM 575 CA ALA A 43 -9.860 3.579 1.135 1.00 0.80 C ATOM 576 C ALA A 43 -10.726 4.063 2.293 1.00 0.70 C ATOM 577 O ALA A 43 -11.767 3.473 2.583 1.00 0.69 O ATOM 578 CB ALA A 43 -9.963 2.067 1.016 1.00 0.84 C ATOM 0 H ALA A 43 -8.288 4.499 2.173 1.00 0.74 H new ATOM 0 HA ALA A 43 -10.223 4.041 0.217 1.00 0.80 H new ATOM 0 HB1 ALA A 43 -11.007 1.783 0.882 1.00 0.84 H new ATOM 0 HB2 ALA A 43 -9.382 1.729 0.158 1.00 0.84 H new ATOM 0 HB3 ALA A 43 -9.574 1.603 1.923 1.00 0.84 H new ATOM 584 N PHE A 44 -10.290 5.136 2.953 1.00 0.65 N ATOM 585 CA PHE A 44 -11.012 5.685 4.089 1.00 0.64 C ATOM 586 C PHE A 44 -10.935 4.686 5.226 1.00 0.54 C ATOM 587 O PHE A 44 -11.662 4.772 6.216 1.00 0.60 O ATOM 588 CB PHE A 44 -12.471 5.988 3.720 1.00 0.78 C ATOM 589 CG PHE A 44 -13.195 6.829 4.735 1.00 1.40 C ATOM 590 CD1 PHE A 44 -12.885 8.171 4.889 1.00 1.70 C ATOM 591 CD2 PHE A 44 -14.184 6.278 5.533 1.00 2.24 C ATOM 592 CE1 PHE A 44 -13.547 8.946 5.822 1.00 2.62 C ATOM 593 CE2 PHE A 44 -14.851 7.049 6.468 1.00 3.30 C ATOM 594 CZ PHE A 44 -14.537 8.385 6.607 1.00 3.45 C ATOM 0 H PHE A 44 -9.436 5.641 2.715 1.00 0.65 H new ATOM 0 HA PHE A 44 -10.559 6.628 4.394 1.00 0.64 H new ATOM 0 HB2 PHE A 44 -12.493 6.499 2.757 1.00 0.78 H new ATOM 0 HB3 PHE A 44 -13.006 5.047 3.594 1.00 0.78 H new ATOM 0 HD1 PHE A 44 -12.118 8.616 4.273 1.00 1.70 H new ATOM 0 HD2 PHE A 44 -14.437 5.234 5.424 1.00 2.24 H new ATOM 0 HE1 PHE A 44 -13.291 9.989 5.938 1.00 2.62 H new ATOM 0 HE2 PHE A 44 -15.616 6.606 7.088 1.00 3.30 H new ATOM 0 HZ PHE A 44 -15.064 8.992 7.328 1.00 3.45 H new ATOM 604 N GLU A 45 -10.022 3.732 5.063 1.00 0.49 N ATOM 605 CA GLU A 45 -9.819 2.689 6.048 1.00 0.51 C ATOM 606 C GLU A 45 -8.870 3.153 7.146 1.00 0.49 C ATOM 607 O GLU A 45 -9.180 3.039 8.333 1.00 0.54 O ATOM 608 CB GLU A 45 -9.274 1.422 5.380 1.00 0.63 C ATOM 609 CG GLU A 45 -10.233 0.799 4.379 1.00 0.95 C ATOM 610 CD GLU A 45 -11.529 0.340 5.018 1.00 1.32 C ATOM 611 OE1 GLU A 45 -11.583 -0.818 5.484 1.00 1.20 O ATOM 612 OE2 GLU A 45 -12.491 1.137 5.051 1.00 2.10 O ATOM 0 H GLU A 45 -9.410 3.665 4.250 1.00 0.49 H new ATOM 0 HA GLU A 45 -10.783 2.462 6.502 1.00 0.51 H new ATOM 0 HB2 GLU A 45 -8.339 1.662 4.873 1.00 0.63 H new ATOM 0 HB3 GLU A 45 -9.039 0.688 6.151 1.00 0.63 H new ATOM 0 HG2 GLU A 45 -10.456 1.524 3.596 1.00 0.95 H new ATOM 0 HG3 GLU A 45 -9.749 -0.051 3.898 1.00 0.95 H new ATOM 619 N ASP A 46 -7.715 3.675 6.745 1.00 0.48 N ATOM 620 CA ASP A 46 -6.725 4.159 7.699 1.00 0.48 C ATOM 621 C ASP A 46 -6.505 5.656 7.531 1.00 0.50 C ATOM 622 O ASP A 46 -5.417 6.170 7.791 1.00 0.59 O ATOM 623 CB ASP A 46 -5.402 3.413 7.525 1.00 0.56 C ATOM 624 CG ASP A 46 -5.527 1.933 7.831 1.00 0.72 C ATOM 625 OD1 ASP A 46 -5.449 1.566 9.023 1.00 0.83 O ATOM 626 OD2 ASP A 46 -5.699 1.144 6.881 1.00 0.80 O ATOM 0 H ASP A 46 -7.442 3.773 5.767 1.00 0.48 H new ATOM 0 HA ASP A 46 -7.103 3.972 8.704 1.00 0.48 H new ATOM 0 HB2 ASP A 46 -5.048 3.541 6.502 1.00 0.56 H new ATOM 0 HB3 ASP A 46 -4.651 3.854 8.180 1.00 0.56 H new ATOM 631 N ALA A 47 -7.549 6.353 7.094 1.00 0.50 N ATOM 632 CA ALA A 47 -7.480 7.796 6.895 1.00 0.64 C ATOM 633 C ALA A 47 -7.263 8.538 8.212 1.00 0.80 C ATOM 634 O ALA A 47 -7.146 9.764 8.231 1.00 0.98 O ATOM 635 CB ALA A 47 -8.748 8.292 6.216 1.00 0.65 C ATOM 0 H ALA A 47 -8.455 5.941 6.871 1.00 0.50 H new ATOM 0 HA ALA A 47 -6.623 8.002 6.254 1.00 0.64 H new ATOM 0 HB1 ALA A 47 -8.686 9.371 6.072 1.00 0.65 H new ATOM 0 HB2 ALA A 47 -8.858 7.803 5.248 1.00 0.65 H new ATOM 0 HB3 ALA A 47 -9.610 8.058 6.840 1.00 0.65 H new ATOM 641 N ASP A 48 -7.206 7.793 9.315 1.00 0.79 N ATOM 642 CA ASP A 48 -7.005 8.392 10.631 1.00 0.98 C ATOM 643 C ASP A 48 -5.712 7.893 11.268 1.00 1.06 C ATOM 644 O ASP A 48 -5.417 8.215 12.419 1.00 1.24 O ATOM 645 CB ASP A 48 -8.193 8.076 11.543 1.00 1.10 C ATOM 646 CG ASP A 48 -8.389 6.585 11.742 1.00 1.63 C ATOM 647 OD1 ASP A 48 -9.129 5.973 10.944 1.00 2.11 O ATOM 648 OD2 ASP A 48 -7.802 6.031 12.694 1.00 2.33 O ATOM 0 H ASP A 48 -7.296 6.777 9.323 1.00 0.79 H new ATOM 0 HA ASP A 48 -6.929 9.472 10.503 1.00 0.98 H new ATOM 0 HB2 ASP A 48 -8.041 8.552 12.512 1.00 1.10 H new ATOM 0 HB3 ASP A 48 -9.099 8.505 11.116 1.00 1.10 H new ATOM 653 N HIS A 49 -4.949 7.109 10.509 1.00 0.95 N ATOM 654 CA HIS A 49 -3.682 6.556 10.986 1.00 1.05 C ATOM 655 C HIS A 49 -3.902 5.620 12.171 1.00 0.56 C ATOM 656 O HIS A 49 -4.396 6.033 13.220 1.00 1.09 O ATOM 657 CB HIS A 49 -2.717 7.675 11.381 1.00 1.78 C ATOM 658 CG HIS A 49 -2.378 8.603 10.257 1.00 2.47 C ATOM 659 ND1 HIS A 49 -1.247 8.464 9.479 1.00 3.08 N ATOM 660 CD2 HIS A 49 -3.025 9.696 9.784 1.00 3.07 C ATOM 661 CE1 HIS A 49 -1.214 9.428 8.577 1.00 3.59 C ATOM 662 NE2 HIS A 49 -2.280 10.188 8.741 1.00 3.59 N ATOM 0 H HIS A 49 -5.188 6.841 9.554 1.00 0.95 H new ATOM 0 HA HIS A 49 -3.244 5.983 10.168 1.00 1.05 H new ATOM 0 HB2 HIS A 49 -3.156 8.251 12.196 1.00 1.78 H new ATOM 0 HB3 HIS A 49 -1.798 7.232 11.764 1.00 1.78 H new ATOM 0 HD1 HIS A 49 -0.546 7.731 9.584 1.00 3.08 H new ATOM 0 HD2 HIS A 49 -3.953 10.104 10.158 1.00 3.07 H new ATOM 0 HE1 HIS A 49 -0.445 9.570 7.832 1.00 3.59 H new ATOM 671 N ARG A 50 -3.526 4.357 11.996 1.00 0.62 N ATOM 672 CA ARG A 50 -3.685 3.362 13.050 1.00 1.10 C ATOM 673 C ARG A 50 -2.361 3.088 13.759 1.00 0.91 C ATOM 674 O ARG A 50 -2.190 3.433 14.929 1.00 0.91 O ATOM 675 CB ARG A 50 -4.246 2.061 12.469 1.00 1.88 C ATOM 676 CG ARG A 50 -4.494 0.980 13.512 1.00 2.55 C ATOM 677 CD ARG A 50 -5.533 1.416 14.535 1.00 3.23 C ATOM 678 NE ARG A 50 -6.809 1.755 13.910 1.00 3.79 N ATOM 679 CZ ARG A 50 -7.770 2.439 14.522 1.00 4.66 C ATOM 680 NH1 ARG A 50 -7.602 2.858 15.769 1.00 5.03 N ATOM 681 NH2 ARG A 50 -8.903 2.707 13.887 1.00 5.44 N ATOM 0 H ARG A 50 -3.110 3.999 11.136 1.00 0.62 H new ATOM 0 HA ARG A 50 -4.386 3.761 13.783 1.00 1.10 H new ATOM 0 HB2 ARG A 50 -5.182 2.278 11.954 1.00 1.88 H new ATOM 0 HB3 ARG A 50 -3.552 1.679 11.721 1.00 1.88 H new ATOM 0 HG2 ARG A 50 -4.829 0.068 13.019 1.00 2.55 H new ATOM 0 HG3 ARG A 50 -3.559 0.743 14.020 1.00 2.55 H new ATOM 0 HD2 ARG A 50 -5.686 0.616 15.260 1.00 3.23 H new ATOM 0 HD3 ARG A 50 -5.159 2.279 15.086 1.00 3.23 H new ATOM 0 HE ARG A 50 -6.971 1.450 12.950 1.00 3.79 H new ATOM 0 HH11 ARG A 50 -6.732 2.656 16.262 1.00 5.03 H new ATOM 0 HH12 ARG A 50 -8.342 3.383 16.235 1.00 5.03 H new ATOM 0 HH21 ARG A 50 -9.038 2.388 12.928 1.00 5.44 H new ATOM 0 HH22 ARG A 50 -9.640 3.232 14.358 1.00 5.44 H new ATOM 695 N THR A 51 -1.426 2.468 13.043 1.00 0.81 N ATOM 696 CA THR A 51 -0.120 2.141 13.609 1.00 0.67 C ATOM 697 C THR A 51 0.922 1.995 12.503 1.00 0.59 C ATOM 698 O THR A 51 0.576 1.769 11.345 1.00 0.59 O ATOM 699 CB THR A 51 -0.187 0.835 14.427 1.00 0.73 C ATOM 700 OG1 THR A 51 -1.296 0.881 15.333 1.00 1.01 O ATOM 701 CG2 THR A 51 1.096 0.612 15.211 1.00 0.75 C ATOM 0 H THR A 51 -1.548 2.182 12.071 1.00 0.81 H new ATOM 0 HA THR A 51 0.170 2.958 14.270 1.00 0.67 H new ATOM 0 HB THR A 51 -0.315 0.008 13.729 1.00 0.73 H new ATOM 0 HG1 THR A 51 -1.333 0.048 15.848 1.00 1.01 H new ATOM 0 HG21 THR A 51 1.019 -0.316 15.778 1.00 0.75 H new ATOM 0 HG22 THR A 51 1.937 0.547 14.521 1.00 0.75 H new ATOM 0 HG23 THR A 51 1.252 1.444 15.897 1.00 0.75 H new ATOM 709 N TYR A 52 2.198 2.135 12.859 1.00 0.55 N ATOM 710 CA TYR A 52 3.277 2.017 11.878 1.00 0.52 C ATOM 711 C TYR A 52 3.349 0.608 11.288 1.00 0.43 C ATOM 712 O TYR A 52 3.448 0.447 10.069 1.00 0.42 O ATOM 713 CB TYR A 52 4.625 2.436 12.486 1.00 0.56 C ATOM 714 CG TYR A 52 5.218 1.481 13.508 1.00 0.52 C ATOM 715 CD1 TYR A 52 4.492 1.055 14.615 1.00 0.49 C ATOM 716 CD2 TYR A 52 6.523 1.026 13.373 1.00 0.55 C ATOM 717 CE1 TYR A 52 5.048 0.205 15.553 1.00 0.49 C ATOM 718 CE2 TYR A 52 7.086 0.173 14.303 1.00 0.55 C ATOM 719 CZ TYR A 52 6.345 -0.233 15.392 1.00 0.52 C ATOM 720 OH TYR A 52 6.902 -1.080 16.323 1.00 0.57 O ATOM 0 H TYR A 52 2.509 2.329 13.811 1.00 0.55 H new ATOM 0 HA TYR A 52 3.052 2.701 11.059 1.00 0.52 H new ATOM 0 HB2 TYR A 52 5.343 2.562 11.676 1.00 0.56 H new ATOM 0 HB3 TYR A 52 4.502 3.411 12.957 1.00 0.56 H new ATOM 0 HD1 TYR A 52 3.475 1.394 14.744 1.00 0.49 H new ATOM 0 HD2 TYR A 52 7.110 1.345 12.524 1.00 0.55 H new ATOM 0 HE1 TYR A 52 4.469 -0.114 16.407 1.00 0.49 H new ATOM 0 HE2 TYR A 52 8.101 -0.174 14.177 1.00 0.55 H new ATOM 0 HH TYR A 52 7.822 -1.295 16.061 1.00 0.57 H new ATOM 730 N VAL A 53 3.292 -0.412 12.142 1.00 0.39 N ATOM 731 CA VAL A 53 3.342 -1.793 11.668 1.00 0.35 C ATOM 732 C VAL A 53 2.025 -2.179 11.009 1.00 0.37 C ATOM 733 O VAL A 53 2.011 -2.890 10.005 1.00 0.38 O ATOM 734 CB VAL A 53 3.660 -2.787 12.805 1.00 0.38 C ATOM 735 CG1 VAL A 53 3.484 -4.224 12.333 1.00 0.38 C ATOM 736 CG2 VAL A 53 5.073 -2.571 13.313 1.00 0.40 C ATOM 0 H VAL A 53 3.212 -0.311 13.154 1.00 0.39 H new ATOM 0 HA VAL A 53 4.149 -1.848 10.937 1.00 0.35 H new ATOM 0 HB VAL A 53 2.961 -2.607 13.621 1.00 0.38 H new ATOM 0 HG11 VAL A 53 3.714 -4.906 13.151 1.00 0.38 H new ATOM 0 HG12 VAL A 53 2.454 -4.378 12.011 1.00 0.38 H new ATOM 0 HG13 VAL A 53 4.158 -4.418 11.499 1.00 0.38 H new ATOM 0 HG21 VAL A 53 5.284 -3.279 14.115 1.00 0.40 H new ATOM 0 HG22 VAL A 53 5.780 -2.725 12.498 1.00 0.40 H new ATOM 0 HG23 VAL A 53 5.172 -1.554 13.692 1.00 0.40 H new ATOM 746 N ASP A 54 0.917 -1.709 11.577 1.00 0.42 N ATOM 747 CA ASP A 54 -0.401 -1.999 11.019 1.00 0.49 C ATOM 748 C ASP A 54 -0.506 -1.413 9.617 1.00 0.49 C ATOM 749 O ASP A 54 -1.015 -2.053 8.695 1.00 0.53 O ATOM 750 CB ASP A 54 -1.504 -1.435 11.916 1.00 0.57 C ATOM 751 CG ASP A 54 -1.662 -2.224 13.201 1.00 0.60 C ATOM 752 OD1 ASP A 54 -0.753 -2.157 14.055 1.00 0.62 O ATOM 753 OD2 ASP A 54 -2.698 -2.907 13.355 1.00 0.65 O ATOM 0 H ASP A 54 0.905 -1.130 12.417 1.00 0.42 H new ATOM 0 HA ASP A 54 -0.529 -3.080 10.964 1.00 0.49 H new ATOM 0 HB2 ASP A 54 -1.278 -0.396 12.156 1.00 0.57 H new ATOM 0 HB3 ASP A 54 -2.449 -1.438 11.372 1.00 0.57 H new ATOM 758 N LEU A 55 -0.015 -0.187 9.470 1.00 0.51 N ATOM 759 CA LEU A 55 -0.021 0.490 8.183 1.00 0.57 C ATOM 760 C LEU A 55 0.800 -0.317 7.188 1.00 0.47 C ATOM 761 O LEU A 55 0.438 -0.440 6.017 1.00 0.47 O ATOM 762 CB LEU A 55 0.540 1.911 8.332 1.00 0.67 C ATOM 763 CG LEU A 55 1.075 2.561 7.049 1.00 0.83 C ATOM 764 CD1 LEU A 55 0.880 4.068 7.095 1.00 1.34 C ATOM 765 CD2 LEU A 55 2.549 2.232 6.853 1.00 1.81 C ATOM 0 H LEU A 55 0.393 0.357 10.230 1.00 0.51 H new ATOM 0 HA LEU A 55 -1.044 0.569 7.814 1.00 0.57 H new ATOM 0 HB2 LEU A 55 -0.244 2.549 8.739 1.00 0.67 H new ATOM 0 HB3 LEU A 55 1.345 1.887 9.067 1.00 0.67 H new ATOM 0 HG LEU A 55 0.514 2.159 6.206 1.00 0.83 H new ATOM 0 HD11 LEU A 55 1.265 4.513 6.177 1.00 1.34 H new ATOM 0 HD12 LEU A 55 -0.182 4.295 7.190 1.00 1.34 H new ATOM 0 HD13 LEU A 55 1.417 4.478 7.950 1.00 1.34 H new ATOM 0 HD21 LEU A 55 2.908 2.703 5.938 1.00 1.81 H new ATOM 0 HD22 LEU A 55 3.121 2.606 7.702 1.00 1.81 H new ATOM 0 HD23 LEU A 55 2.674 1.152 6.779 1.00 1.81 H new ATOM 777 N LYS A 56 1.906 -0.873 7.672 1.00 0.44 N ATOM 778 CA LYS A 56 2.777 -1.686 6.839 1.00 0.41 C ATOM 779 C LYS A 56 2.211 -3.088 6.693 1.00 0.35 C ATOM 780 O LYS A 56 2.653 -3.859 5.845 1.00 0.34 O ATOM 781 CB LYS A 56 4.185 -1.735 7.420 1.00 0.48 C ATOM 782 CG LYS A 56 5.039 -0.566 6.976 1.00 0.82 C ATOM 783 CD LYS A 56 5.638 -0.808 5.602 1.00 1.29 C ATOM 784 CE LYS A 56 6.352 0.427 5.078 1.00 2.17 C ATOM 785 NZ LYS A 56 6.843 0.236 3.686 1.00 2.86 N ATOM 0 H LYS A 56 2.218 -0.774 8.638 1.00 0.44 H new ATOM 0 HA LYS A 56 2.832 -1.230 5.851 1.00 0.41 H new ATOM 0 HB2 LYS A 56 4.125 -1.744 8.508 1.00 0.48 H new ATOM 0 HB3 LYS A 56 4.666 -2.666 7.120 1.00 0.48 H new ATOM 0 HG2 LYS A 56 4.435 0.341 6.957 1.00 0.82 H new ATOM 0 HG3 LYS A 56 5.838 -0.402 7.699 1.00 0.82 H new ATOM 0 HD2 LYS A 56 6.339 -1.641 5.652 1.00 1.29 H new ATOM 0 HD3 LYS A 56 4.850 -1.096 4.906 1.00 1.29 H new ATOM 0 HE2 LYS A 56 5.673 1.279 5.110 1.00 2.17 H new ATOM 0 HE3 LYS A 56 7.193 0.664 5.730 1.00 2.17 H new ATOM 0 HZ1 LYS A 56 7.123 1.155 3.288 1.00 2.86 H new ATOM 0 HZ2 LYS A 56 7.663 -0.404 3.692 1.00 2.86 H new ATOM 0 HZ3 LYS A 56 6.086 -0.177 3.105 1.00 2.86 H new ATOM 799 N ASP A 57 1.241 -3.418 7.536 1.00 0.37 N ATOM 800 CA ASP A 57 0.596 -4.714 7.471 1.00 0.39 C ATOM 801 C ASP A 57 -0.261 -4.772 6.221 1.00 0.39 C ATOM 802 O ASP A 57 -0.269 -5.765 5.494 1.00 0.38 O ATOM 803 CB ASP A 57 -0.267 -4.951 8.711 1.00 0.49 C ATOM 804 CG ASP A 57 -0.688 -6.400 8.856 1.00 1.13 C ATOM 805 OD1 ASP A 57 -1.758 -6.763 8.322 1.00 2.04 O ATOM 806 OD2 ASP A 57 0.050 -7.171 9.504 1.00 1.08 O ATOM 0 H ASP A 57 0.887 -2.804 8.270 1.00 0.37 H new ATOM 0 HA ASP A 57 1.357 -5.494 7.436 1.00 0.39 H new ATOM 0 HB2 ASP A 57 0.287 -4.646 9.599 1.00 0.49 H new ATOM 0 HB3 ASP A 57 -1.155 -4.321 8.658 1.00 0.49 H new ATOM 811 N LYS A 58 -0.973 -3.676 5.976 1.00 0.43 N ATOM 812 CA LYS A 58 -1.830 -3.565 4.805 1.00 0.46 C ATOM 813 C LYS A 58 -1.002 -3.252 3.562 1.00 0.41 C ATOM 814 O LYS A 58 -1.383 -3.611 2.449 1.00 0.41 O ATOM 815 CB LYS A 58 -2.891 -2.481 5.018 1.00 0.55 C ATOM 816 CG LYS A 58 -3.853 -2.335 3.849 1.00 1.26 C ATOM 817 CD LYS A 58 -4.988 -1.373 4.169 1.00 1.54 C ATOM 818 CE LYS A 58 -5.927 -1.945 5.219 1.00 1.87 C ATOM 819 NZ LYS A 58 -7.103 -1.062 5.455 1.00 2.38 N ATOM 0 H LYS A 58 -0.972 -2.851 6.576 1.00 0.43 H new ATOM 0 HA LYS A 58 -2.332 -4.521 4.657 1.00 0.46 H new ATOM 0 HB2 LYS A 58 -3.459 -2.712 5.919 1.00 0.55 H new ATOM 0 HB3 LYS A 58 -2.394 -1.526 5.191 1.00 0.55 H new ATOM 0 HG2 LYS A 58 -3.310 -1.979 2.974 1.00 1.26 H new ATOM 0 HG3 LYS A 58 -4.265 -3.311 3.593 1.00 1.26 H new ATOM 0 HD2 LYS A 58 -4.576 -0.429 4.524 1.00 1.54 H new ATOM 0 HD3 LYS A 58 -5.548 -1.154 3.260 1.00 1.54 H new ATOM 0 HE2 LYS A 58 -6.271 -2.929 4.901 1.00 1.87 H new ATOM 0 HE3 LYS A 58 -5.384 -2.084 6.154 1.00 1.87 H new ATOM 0 HZ1 LYS A 58 -7.813 -1.573 6.017 1.00 2.38 H new ATOM 0 HZ2 LYS A 58 -6.800 -0.211 5.970 1.00 2.38 H new ATOM 0 HZ3 LYS A 58 -7.518 -0.785 4.542 1.00 2.38 H new ATOM 833 N TRP A 59 0.137 -2.585 3.756 1.00 0.38 N ATOM 834 CA TRP A 59 1.018 -2.239 2.650 1.00 0.35 C ATOM 835 C TRP A 59 1.753 -3.488 2.166 1.00 0.28 C ATOM 836 O TRP A 59 1.728 -3.822 0.980 1.00 0.28 O ATOM 837 CB TRP A 59 2.000 -1.150 3.103 1.00 0.37 C ATOM 838 CG TRP A 59 3.288 -1.103 2.335 1.00 0.36 C ATOM 839 CD1 TRP A 59 4.394 -1.868 2.556 1.00 0.32 C ATOM 840 CD2 TRP A 59 3.612 -0.231 1.246 1.00 0.43 C ATOM 841 NE1 TRP A 59 5.388 -1.530 1.669 1.00 0.37 N ATOM 842 CE2 TRP A 59 4.932 -0.530 0.852 1.00 0.43 C ATOM 843 CE3 TRP A 59 2.916 0.769 0.562 1.00 0.50 C ATOM 844 CZ2 TRP A 59 5.565 0.136 -0.191 1.00 0.51 C ATOM 845 CZ3 TRP A 59 3.547 1.429 -0.473 1.00 0.57 C ATOM 846 CH2 TRP A 59 4.860 1.111 -0.843 1.00 0.57 C ATOM 0 H TRP A 59 0.467 -2.276 4.670 1.00 0.38 H new ATOM 0 HA TRP A 59 0.435 -1.848 1.816 1.00 0.35 H new ATOM 0 HB2 TRP A 59 1.509 -0.181 3.020 1.00 0.37 H new ATOM 0 HB3 TRP A 59 2.228 -1.303 4.158 1.00 0.37 H new ATOM 0 HD1 TRP A 59 4.477 -2.629 3.318 1.00 0.32 H new ATOM 0 HE1 TRP A 59 6.314 -1.955 1.626 1.00 0.37 H new ATOM 0 HE3 TRP A 59 1.903 1.021 0.838 1.00 0.50 H new ATOM 0 HZ2 TRP A 59 6.578 -0.107 -0.477 1.00 0.51 H new ATOM 0 HZ3 TRP A 59 3.019 2.205 -1.007 1.00 0.57 H new ATOM 0 HH2 TRP A 59 5.325 1.645 -1.658 1.00 0.57 H new ATOM 857 N LYS A 60 2.405 -4.169 3.101 1.00 0.25 N ATOM 858 CA LYS A 60 3.134 -5.396 2.797 1.00 0.21 C ATOM 859 C LYS A 60 2.201 -6.444 2.196 1.00 0.21 C ATOM 860 O LYS A 60 2.581 -7.176 1.283 1.00 0.25 O ATOM 861 CB LYS A 60 3.800 -5.942 4.068 1.00 0.23 C ATOM 862 CG LYS A 60 4.168 -7.416 3.991 1.00 0.36 C ATOM 863 CD LYS A 60 3.063 -8.294 4.558 1.00 0.85 C ATOM 864 CE LYS A 60 3.279 -9.756 4.210 1.00 0.62 C ATOM 865 NZ LYS A 60 2.225 -10.629 4.794 1.00 1.06 N ATOM 0 H LYS A 60 2.444 -3.891 4.082 1.00 0.25 H new ATOM 0 HA LYS A 60 3.907 -5.166 2.064 1.00 0.21 H new ATOM 0 HB2 LYS A 60 4.701 -5.363 4.270 1.00 0.23 H new ATOM 0 HB3 LYS A 60 3.127 -5.790 4.912 1.00 0.23 H new ATOM 0 HG2 LYS A 60 4.358 -7.692 2.954 1.00 0.36 H new ATOM 0 HG3 LYS A 60 5.092 -7.591 4.541 1.00 0.36 H new ATOM 0 HD2 LYS A 60 3.025 -8.179 5.641 1.00 0.85 H new ATOM 0 HD3 LYS A 60 2.100 -7.965 4.169 1.00 0.85 H new ATOM 0 HE2 LYS A 60 3.288 -9.873 3.126 1.00 0.62 H new ATOM 0 HE3 LYS A 60 4.256 -10.075 4.573 1.00 0.62 H new ATOM 0 HZ1 LYS A 60 2.410 -11.619 4.533 1.00 1.06 H new ATOM 0 HZ2 LYS A 60 2.233 -10.537 5.830 1.00 1.06 H new ATOM 0 HZ3 LYS A 60 1.295 -10.342 4.428 1.00 1.06 H new ATOM 879 N THR A 61 0.983 -6.520 2.723 1.00 0.22 N ATOM 880 CA THR A 61 -0.005 -7.476 2.233 1.00 0.27 C ATOM 881 C THR A 61 -0.522 -7.052 0.864 1.00 0.28 C ATOM 882 O THR A 61 -0.889 -7.886 0.036 1.00 0.35 O ATOM 883 CB THR A 61 -1.191 -7.611 3.208 1.00 0.34 C ATOM 884 OG1 THR A 61 -0.742 -8.165 4.451 1.00 0.97 O ATOM 885 CG2 THR A 61 -2.287 -8.493 2.626 1.00 0.80 C ATOM 0 H THR A 61 0.656 -5.931 3.489 1.00 0.22 H new ATOM 0 HA THR A 61 0.489 -8.444 2.153 1.00 0.27 H new ATOM 0 HB THR A 61 -1.602 -6.616 3.375 1.00 0.34 H new ATOM 0 HG1 THR A 61 -0.609 -7.444 5.101 1.00 0.97 H new ATOM 0 HG21 THR A 61 -3.109 -8.569 3.337 1.00 0.80 H new ATOM 0 HG22 THR A 61 -2.651 -8.056 1.696 1.00 0.80 H new ATOM 0 HG23 THR A 61 -1.887 -9.487 2.427 1.00 0.80 H new ATOM 893 N LEU A 62 -0.540 -5.746 0.637 1.00 0.28 N ATOM 894 CA LEU A 62 -1.004 -5.192 -0.626 1.00 0.36 C ATOM 895 C LEU A 62 -0.079 -5.605 -1.769 1.00 0.35 C ATOM 896 O LEU A 62 -0.532 -5.838 -2.891 1.00 0.42 O ATOM 897 CB LEU A 62 -1.098 -3.666 -0.513 1.00 0.43 C ATOM 898 CG LEU A 62 -1.021 -2.892 -1.828 1.00 0.61 C ATOM 899 CD1 LEU A 62 -1.867 -1.630 -1.746 1.00 1.00 C ATOM 900 CD2 LEU A 62 0.423 -2.540 -2.144 1.00 1.27 C ATOM 0 H LEU A 62 -0.237 -5.047 1.316 1.00 0.28 H new ATOM 0 HA LEU A 62 -1.995 -5.587 -0.848 1.00 0.36 H new ATOM 0 HB2 LEU A 62 -2.038 -3.415 -0.021 1.00 0.43 H new ATOM 0 HB3 LEU A 62 -0.295 -3.319 0.137 1.00 0.43 H new ATOM 0 HG LEU A 62 -1.411 -3.520 -2.629 1.00 0.61 H new ATOM 0 HD11 LEU A 62 -1.804 -1.088 -2.689 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -2.905 -1.900 -1.552 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -1.499 -0.997 -0.938 1.00 1.00 H new ATOM 0 HD21 LEU A 62 0.466 -1.989 -3.083 1.00 1.27 H new ATOM 0 HD22 LEU A 62 0.831 -1.924 -1.343 1.00 1.27 H new ATOM 0 HD23 LEU A 62 1.009 -3.455 -2.233 1.00 1.27 H new ATOM 912 N VAL A 63 1.218 -5.696 -1.480 1.00 0.30 N ATOM 913 CA VAL A 63 2.196 -6.094 -2.491 1.00 0.33 C ATOM 914 C VAL A 63 2.363 -7.611 -2.526 1.00 0.38 C ATOM 915 O VAL A 63 2.523 -8.201 -3.592 1.00 0.47 O ATOM 916 CB VAL A 63 3.574 -5.442 -2.246 1.00 0.34 C ATOM 917 CG1 VAL A 63 3.511 -3.941 -2.484 1.00 0.40 C ATOM 918 CG2 VAL A 63 4.072 -5.742 -0.842 1.00 0.28 C ATOM 0 H VAL A 63 1.614 -5.501 -0.561 1.00 0.30 H new ATOM 0 HA VAL A 63 1.810 -5.747 -3.450 1.00 0.33 H new ATOM 0 HB VAL A 63 4.281 -5.870 -2.956 1.00 0.34 H new ATOM 0 HG11 VAL A 63 4.493 -3.503 -2.305 1.00 0.40 H new ATOM 0 HG12 VAL A 63 3.209 -3.748 -3.514 1.00 0.40 H new ATOM 0 HG13 VAL A 63 2.786 -3.495 -1.804 1.00 0.40 H new ATOM 0 HG21 VAL A 63 5.044 -5.272 -0.693 1.00 0.28 H new ATOM 0 HG22 VAL A 63 3.363 -5.349 -0.113 1.00 0.28 H new ATOM 0 HG23 VAL A 63 4.166 -6.820 -0.712 1.00 0.28 H new ATOM 928 N HIS A 64 2.319 -8.230 -1.350 1.00 0.34 N ATOM 929 CA HIS A 64 2.465 -9.679 -1.233 1.00 0.43 C ATOM 930 C HIS A 64 1.326 -10.403 -1.945 1.00 0.48 C ATOM 931 O HIS A 64 1.525 -11.467 -2.533 1.00 0.54 O ATOM 932 CB HIS A 64 2.502 -10.078 0.245 1.00 0.52 C ATOM 933 CG HIS A 64 2.446 -11.556 0.479 1.00 0.53 C ATOM 934 ND1 HIS A 64 3.572 -12.345 0.590 1.00 1.06 N ATOM 935 CD2 HIS A 64 1.390 -12.389 0.632 1.00 1.05 C ATOM 936 CE1 HIS A 64 3.210 -13.598 0.802 1.00 1.24 C ATOM 937 NE2 HIS A 64 1.892 -13.651 0.832 1.00 1.13 N ATOM 0 H HIS A 64 2.183 -7.749 -0.461 1.00 0.34 H new ATOM 0 HA HIS A 64 3.401 -9.971 -1.709 1.00 0.43 H new ATOM 0 HB2 HIS A 64 3.413 -9.684 0.694 1.00 0.52 H new ATOM 0 HB3 HIS A 64 1.664 -9.607 0.759 1.00 0.52 H new ATOM 0 HD2 HIS A 64 0.346 -12.112 0.602 1.00 1.05 H new ATOM 0 HE1 HIS A 64 3.879 -14.436 0.929 1.00 1.24 H new ATOM 0 HE2 HIS A 64 1.336 -14.493 0.980 1.00 1.13 H new ATOM 946 N THR A 65 0.137 -9.818 -1.887 1.00 0.47 N ATOM 947 CA THR A 65 -1.039 -10.406 -2.519 1.00 0.54 C ATOM 948 C THR A 65 -1.128 -10.012 -3.991 1.00 0.57 C ATOM 949 O THR A 65 -1.847 -10.640 -4.769 1.00 0.65 O ATOM 950 CB THR A 65 -2.333 -9.974 -1.799 1.00 0.56 C ATOM 951 OG1 THR A 65 -2.215 -10.221 -0.393 1.00 0.99 O ATOM 952 CG2 THR A 65 -3.540 -10.725 -2.345 1.00 1.18 C ATOM 0 H THR A 65 -0.040 -8.935 -1.408 1.00 0.47 H new ATOM 0 HA THR A 65 -0.934 -11.488 -2.445 1.00 0.54 H new ATOM 0 HB THR A 65 -2.478 -8.908 -1.975 1.00 0.56 H new ATOM 0 HG1 THR A 65 -1.753 -9.469 0.034 1.00 0.99 H new ATOM 0 HG21 THR A 65 -4.438 -10.401 -1.820 1.00 1.18 H new ATOM 0 HG22 THR A 65 -3.647 -10.517 -3.410 1.00 1.18 H new ATOM 0 HG23 THR A 65 -3.400 -11.796 -2.197 1.00 1.18 H new ATOM 960 N ALA A 66 -0.389 -8.971 -4.366 1.00 0.55 N ATOM 961 CA ALA A 66 -0.386 -8.488 -5.743 1.00 0.62 C ATOM 962 C ALA A 66 -0.108 -9.618 -6.732 1.00 0.72 C ATOM 963 O ALA A 66 -1.036 -10.218 -7.274 1.00 0.84 O ATOM 964 CB ALA A 66 0.634 -7.373 -5.909 1.00 0.58 C ATOM 0 H ALA A 66 0.216 -8.446 -3.735 1.00 0.55 H new ATOM 0 HA ALA A 66 -1.379 -8.094 -5.961 1.00 0.62 H new ATOM 0 HB1 ALA A 66 0.625 -7.022 -6.941 1.00 0.58 H new ATOM 0 HB2 ALA A 66 0.382 -6.547 -5.243 1.00 0.58 H new ATOM 0 HB3 ALA A 66 1.627 -7.748 -5.662 1.00 0.58 H new ATOM 970 N LYS A 67 1.172 -9.907 -6.960 1.00 0.71 N ATOM 971 CA LYS A 67 1.562 -10.965 -7.889 1.00 0.82 C ATOM 972 C LYS A 67 2.867 -11.625 -7.459 1.00 0.83 C ATOM 973 O LYS A 67 3.544 -12.262 -8.266 1.00 0.94 O ATOM 974 CB LYS A 67 1.709 -10.404 -9.307 1.00 0.90 C ATOM 975 CG LYS A 67 0.398 -9.958 -9.936 1.00 1.48 C ATOM 976 CD LYS A 67 -0.531 -11.135 -10.186 1.00 1.86 C ATOM 977 CE LYS A 67 -1.848 -10.686 -10.800 1.00 2.84 C ATOM 978 NZ LYS A 67 -1.647 -10.001 -12.106 1.00 3.29 N ATOM 0 H LYS A 67 1.954 -9.425 -6.516 1.00 0.71 H new ATOM 0 HA LYS A 67 0.776 -11.720 -7.880 1.00 0.82 H new ATOM 0 HB2 LYS A 67 2.395 -9.557 -9.282 1.00 0.90 H new ATOM 0 HB3 LYS A 67 2.164 -11.164 -9.942 1.00 0.90 H new ATOM 0 HG2 LYS A 67 -0.094 -9.238 -9.282 1.00 1.48 H new ATOM 0 HG3 LYS A 67 0.601 -9.447 -10.877 1.00 1.48 H new ATOM 0 HD2 LYS A 67 -0.044 -11.849 -10.850 1.00 1.86 H new ATOM 0 HD3 LYS A 67 -0.724 -11.653 -9.247 1.00 1.86 H new ATOM 0 HE2 LYS A 67 -2.497 -11.551 -10.940 1.00 2.84 H new ATOM 0 HE3 LYS A 67 -2.358 -10.012 -10.112 1.00 2.84 H new ATOM 0 HZ1 LYS A 67 -2.561 -9.908 -12.593 1.00 3.29 H new ATOM 0 HZ2 LYS A 67 -1.243 -9.056 -11.944 1.00 3.29 H new ATOM 0 HZ3 LYS A 67 -0.996 -10.560 -12.694 1.00 3.29 H new ATOM 992 N ILE A 68 3.214 -11.475 -6.185 1.00 0.74 N ATOM 993 CA ILE A 68 4.438 -12.067 -5.657 1.00 0.78 C ATOM 994 C ILE A 68 4.444 -13.578 -5.872 1.00 0.91 C ATOM 995 O ILE A 68 5.503 -14.190 -6.026 1.00 1.01 O ATOM 996 CB ILE A 68 4.609 -11.756 -4.153 1.00 0.70 C ATOM 997 CG1 ILE A 68 4.755 -10.248 -3.935 1.00 0.63 C ATOM 998 CG2 ILE A 68 5.808 -12.501 -3.579 1.00 0.81 C ATOM 999 CD1 ILE A 68 5.972 -9.642 -4.604 1.00 0.77 C ATOM 0 H ILE A 68 2.668 -10.951 -5.501 1.00 0.74 H new ATOM 0 HA ILE A 68 5.274 -11.625 -6.200 1.00 0.78 H new ATOM 0 HB ILE A 68 3.717 -12.097 -3.628 1.00 0.70 H new ATOM 0 HG12 ILE A 68 3.861 -9.749 -4.310 1.00 0.63 H new ATOM 0 HG13 ILE A 68 4.805 -10.050 -2.864 1.00 0.63 H new ATOM 0 HG21 ILE A 68 5.909 -12.267 -2.519 1.00 0.81 H new ATOM 0 HG22 ILE A 68 5.662 -13.574 -3.701 1.00 0.81 H new ATOM 0 HG23 ILE A 68 6.712 -12.196 -4.106 1.00 0.81 H new ATOM 0 HD11 ILE A 68 6.003 -8.571 -4.402 1.00 0.77 H new ATOM 0 HD12 ILE A 68 6.874 -10.112 -4.212 1.00 0.77 H new ATOM 0 HD13 ILE A 68 5.915 -9.807 -5.680 1.00 0.77 H new ATOM 1011 N SER A 69 3.251 -14.169 -5.894 1.00 0.95 N ATOM 1012 CA SER A 69 3.104 -15.609 -6.091 1.00 1.13 C ATOM 1013 C SER A 69 4.048 -16.396 -5.179 1.00 1.19 C ATOM 1014 O SER A 69 5.090 -16.879 -5.623 1.00 1.28 O ATOM 1015 CB SER A 69 3.366 -15.975 -7.553 1.00 1.22 C ATOM 1016 OG SER A 69 2.458 -15.311 -8.415 1.00 1.82 O ATOM 0 H SER A 69 2.369 -13.670 -5.777 1.00 0.95 H new ATOM 0 HA SER A 69 2.080 -15.877 -5.832 1.00 1.13 H new ATOM 0 HB2 SER A 69 4.388 -15.708 -7.821 1.00 1.22 H new ATOM 0 HB3 SER A 69 3.274 -17.053 -7.683 1.00 1.22 H new ATOM 0 HG SER A 69 2.683 -14.358 -8.456 1.00 1.82 H new ATOM 1022 N PRO A 70 3.700 -16.527 -3.884 1.00 1.22 N ATOM 1023 CA PRO A 70 4.520 -17.261 -2.914 1.00 1.33 C ATOM 1024 C PRO A 70 4.470 -18.769 -3.140 1.00 1.56 C ATOM 1025 O PRO A 70 5.276 -19.516 -2.586 1.00 1.61 O ATOM 1026 CB PRO A 70 3.890 -16.908 -1.555 1.00 1.38 C ATOM 1027 CG PRO A 70 2.919 -15.807 -1.829 1.00 1.30 C ATOM 1028 CD PRO A 70 2.496 -15.969 -3.259 1.00 1.22 C ATOM 0 HA PRO A 70 5.573 -16.989 -2.992 1.00 1.33 H new ATOM 0 HB2 PRO A 70 3.388 -17.773 -1.121 1.00 1.38 H new ATOM 0 HB3 PRO A 70 4.651 -16.590 -0.842 1.00 1.38 H new ATOM 0 HG2 PRO A 70 2.061 -15.869 -1.160 1.00 1.30 H new ATOM 0 HG3 PRO A 70 3.380 -14.832 -1.667 1.00 1.30 H new ATOM 0 HD2 PRO A 70 1.641 -16.638 -3.356 1.00 1.22 H new ATOM 0 HD3 PRO A 70 2.209 -15.018 -3.708 1.00 1.22 H new ATOM 1036 N GLN A 71 3.516 -19.208 -3.956 1.00 1.88 N ATOM 1037 CA GLN A 71 3.356 -20.629 -4.251 1.00 2.17 C ATOM 1038 C GLN A 71 4.261 -21.059 -5.402 1.00 2.50 C ATOM 1039 O GLN A 71 4.838 -22.148 -5.375 1.00 2.87 O ATOM 1040 CB GLN A 71 1.896 -20.939 -4.589 1.00 2.61 C ATOM 1041 CG GLN A 71 1.352 -20.127 -5.752 1.00 3.25 C ATOM 1042 CD GLN A 71 -0.096 -20.451 -6.064 1.00 4.05 C ATOM 1043 OE1 GLN A 71 -0.386 -21.340 -6.865 1.00 4.66 O ATOM 1044 NE2 GLN A 71 -1.013 -19.731 -5.430 1.00 4.42 N ATOM 0 H GLN A 71 2.843 -18.601 -4.424 1.00 1.88 H new ATOM 0 HA GLN A 71 3.645 -21.191 -3.363 1.00 2.17 H new ATOM 0 HB2 GLN A 71 1.804 -21.999 -4.824 1.00 2.61 H new ATOM 0 HB3 GLN A 71 1.281 -20.753 -3.708 1.00 2.61 H new ATOM 0 HG2 GLN A 71 1.441 -19.065 -5.522 1.00 3.25 H new ATOM 0 HG3 GLN A 71 1.961 -20.314 -6.637 1.00 3.25 H new ATOM 0 HE21 GLN A 71 -0.727 -19.004 -4.774 1.00 4.42 H new ATOM 0 HE22 GLN A 71 -2.004 -19.905 -5.598 1.00 4.42 H new ATOM 1053 N GLN A 72 4.381 -20.203 -6.413 1.00 2.53 N ATOM 1054 CA GLN A 72 5.215 -20.500 -7.571 1.00 3.06 C ATOM 1055 C GLN A 72 6.673 -20.680 -7.162 1.00 2.62 C ATOM 1056 O GLN A 72 7.331 -21.633 -7.578 1.00 3.04 O ATOM 1057 CB GLN A 72 5.100 -19.384 -8.611 1.00 3.90 C ATOM 1058 CG GLN A 72 3.695 -19.212 -9.165 1.00 4.67 C ATOM 1059 CD GLN A 72 3.189 -20.453 -9.874 1.00 5.70 C ATOM 1060 OE1 GLN A 72 3.969 -21.218 -10.443 1.00 6.14 O ATOM 1061 NE2 GLN A 72 1.879 -20.660 -9.844 1.00 6.40 N ATOM 0 H GLN A 72 3.911 -19.299 -6.453 1.00 2.53 H new ATOM 0 HA GLN A 72 4.862 -21.433 -8.009 1.00 3.06 H new ATOM 0 HB2 GLN A 72 5.422 -18.445 -8.161 1.00 3.90 H new ATOM 0 HB3 GLN A 72 5.783 -19.594 -9.434 1.00 3.90 H new ATOM 0 HG2 GLN A 72 3.016 -18.962 -8.350 1.00 4.67 H new ATOM 0 HG3 GLN A 72 3.683 -18.372 -9.859 1.00 4.67 H new ATOM 0 HE21 GLN A 72 1.269 -20.000 -9.361 1.00 6.40 H new ATOM 0 HE22 GLN A 72 1.481 -21.479 -10.304 1.00 6.40 H new ATOM 1070 N ARG A 73 7.167 -19.757 -6.340 1.00 2.20 N ATOM 1071 CA ARG A 73 8.547 -19.803 -5.866 1.00 2.48 C ATOM 1072 C ARG A 73 9.531 -19.808 -7.031 1.00 2.98 C ATOM 1073 O ARG A 73 9.859 -20.861 -7.579 1.00 3.45 O ATOM 1074 CB ARG A 73 8.773 -21.038 -4.991 1.00 2.85 C ATOM 1075 CG ARG A 73 7.860 -21.102 -3.777 1.00 3.57 C ATOM 1076 CD ARG A 73 8.176 -22.308 -2.905 1.00 4.27 C ATOM 1077 NE ARG A 73 8.058 -23.563 -3.644 1.00 4.94 N ATOM 1078 CZ ARG A 73 8.577 -24.714 -3.229 1.00 5.76 C ATOM 1079 NH1 ARG A 73 9.248 -24.770 -2.085 1.00 6.03 N ATOM 1080 NH2 ARG A 73 8.426 -25.812 -3.957 1.00 6.51 N ATOM 0 H ARG A 73 6.629 -18.965 -5.987 1.00 2.20 H new ATOM 0 HA ARG A 73 8.722 -18.907 -5.271 1.00 2.48 H new ATOM 0 HB2 ARG A 73 8.623 -21.933 -5.595 1.00 2.85 H new ATOM 0 HB3 ARG A 73 9.810 -21.050 -4.656 1.00 2.85 H new ATOM 0 HG2 ARG A 73 7.968 -20.189 -3.191 1.00 3.57 H new ATOM 0 HG3 ARG A 73 6.821 -21.150 -4.104 1.00 3.57 H new ATOM 0 HD2 ARG A 73 9.187 -22.214 -2.509 1.00 4.27 H new ATOM 0 HD3 ARG A 73 7.499 -22.325 -2.051 1.00 4.27 H new ATOM 0 HE ARG A 73 7.549 -23.555 -4.528 1.00 4.94 H new ATOM 0 HH11 ARG A 73 9.367 -23.928 -1.522 1.00 6.03 H new ATOM 0 HH12 ARG A 73 9.645 -25.655 -1.769 1.00 6.03 H new ATOM 0 HH21 ARG A 73 7.911 -25.774 -4.837 1.00 6.51 H new ATOM 0 HH22 ARG A 73 8.825 -26.695 -3.637 1.00 6.51 H new ATOM 1094 N ARG A 74 9.996 -18.621 -7.410 1.00 3.43 N ATOM 1095 CA ARG A 74 10.946 -18.487 -8.508 1.00 4.19 C ATOM 1096 C ARG A 74 12.374 -18.409 -7.978 1.00 4.18 C ATOM 1097 O ARG A 74 13.304 -18.083 -8.713 1.00 4.70 O ATOM 1098 CB ARG A 74 10.624 -17.242 -9.339 1.00 4.87 C ATOM 1099 CG ARG A 74 10.661 -15.948 -8.540 1.00 5.72 C ATOM 1100 CD ARG A 74 10.256 -14.757 -9.392 1.00 6.35 C ATOM 1101 NE ARG A 74 11.124 -14.596 -10.555 1.00 6.75 N ATOM 1102 CZ ARG A 74 10.852 -13.784 -11.573 1.00 7.52 C ATOM 1103 NH1 ARG A 74 9.738 -13.063 -11.572 1.00 7.96 N ATOM 1104 NH2 ARG A 74 11.693 -13.694 -12.595 1.00 8.11 N ATOM 0 H ARG A 74 9.730 -17.739 -6.973 1.00 3.43 H new ATOM 0 HA ARG A 74 10.861 -19.368 -9.144 1.00 4.19 H new ATOM 0 HB2 ARG A 74 11.335 -17.171 -10.162 1.00 4.87 H new ATOM 0 HB3 ARG A 74 9.635 -17.357 -9.782 1.00 4.87 H new ATOM 0 HG2 ARG A 74 9.992 -16.029 -7.683 1.00 5.72 H new ATOM 0 HG3 ARG A 74 11.665 -15.791 -8.146 1.00 5.72 H new ATOM 0 HD2 ARG A 74 9.225 -14.882 -9.724 1.00 6.35 H new ATOM 0 HD3 ARG A 74 10.288 -13.851 -8.787 1.00 6.35 H new ATOM 0 HE ARG A 74 11.988 -15.137 -10.589 1.00 6.75 H new ATOM 0 HH11 ARG A 74 9.088 -13.130 -10.789 1.00 7.96 H new ATOM 0 HH12 ARG A 74 9.532 -12.441 -12.354 1.00 7.96 H new ATOM 0 HH21 ARG A 74 12.550 -14.248 -12.601 1.00 8.11 H new ATOM 0 HH22 ARG A 74 11.483 -13.071 -13.375 1.00 8.11 H new ATOM 1118 N GLY A 75 12.534 -18.714 -6.693 1.00 3.91 N ATOM 1119 CA GLY A 75 13.847 -18.675 -6.075 1.00 4.13 C ATOM 1120 C GLY A 75 13.769 -18.593 -4.563 1.00 3.81 C ATOM 1121 O GLY A 75 12.733 -18.223 -4.011 1.00 3.92 O ATOM 0 H GLY A 75 11.776 -18.988 -6.068 1.00 3.91 H new ATOM 0 HA2 GLY A 75 14.407 -19.566 -6.360 1.00 4.13 H new ATOM 0 HA3 GLY A 75 14.400 -17.816 -6.455 1.00 4.13 H new ATOM 1125 N GLU A 76 14.868 -18.943 -3.896 1.00 3.83 N ATOM 1126 CA GLU A 76 14.933 -18.911 -2.435 1.00 3.68 C ATOM 1127 C GLU A 76 13.969 -19.925 -1.816 1.00 3.18 C ATOM 1128 O GLU A 76 12.961 -20.286 -2.426 1.00 3.40 O ATOM 1129 CB GLU A 76 14.630 -17.500 -1.920 1.00 4.26 C ATOM 1130 CG GLU A 76 15.612 -16.453 -2.420 1.00 5.11 C ATOM 1131 CD GLU A 76 15.184 -15.039 -2.084 1.00 5.87 C ATOM 1132 OE1 GLU A 76 15.441 -14.597 -0.945 1.00 6.16 O ATOM 1133 OE2 GLU A 76 14.592 -14.373 -2.959 1.00 6.42 O ATOM 0 H GLU A 76 15.729 -19.253 -4.346 1.00 3.83 H new ATOM 0 HA GLU A 76 15.945 -19.185 -2.136 1.00 3.68 H new ATOM 0 HB2 GLU A 76 13.622 -17.218 -2.225 1.00 4.26 H new ATOM 0 HB3 GLU A 76 14.642 -17.508 -0.830 1.00 4.26 H new ATOM 0 HG2 GLU A 76 16.593 -16.644 -1.985 1.00 5.11 H new ATOM 0 HG3 GLU A 76 15.719 -16.548 -3.501 1.00 5.11 H new ATOM 1140 N PRO A 77 14.266 -20.405 -0.591 1.00 2.73 N ATOM 1141 CA PRO A 77 13.425 -21.388 0.102 1.00 2.52 C ATOM 1142 C PRO A 77 12.106 -20.797 0.591 1.00 2.26 C ATOM 1143 O PRO A 77 11.055 -21.022 -0.009 1.00 2.54 O ATOM 1144 CB PRO A 77 14.285 -21.836 1.297 1.00 2.48 C ATOM 1145 CG PRO A 77 15.646 -21.268 1.055 1.00 2.62 C ATOM 1146 CD PRO A 77 15.442 -20.045 0.211 1.00 2.76 C ATOM 0 HA PRO A 77 13.140 -22.203 -0.563 1.00 2.52 H new ATOM 0 HB2 PRO A 77 13.870 -21.470 2.236 1.00 2.48 H new ATOM 0 HB3 PRO A 77 14.322 -22.923 1.367 1.00 2.48 H new ATOM 0 HG2 PRO A 77 16.136 -21.015 1.995 1.00 2.62 H new ATOM 0 HG3 PRO A 77 16.285 -21.990 0.547 1.00 2.62 H new ATOM 0 HD2 PRO A 77 15.263 -19.158 0.819 1.00 2.76 H new ATOM 0 HD3 PRO A 77 16.310 -19.834 -0.414 1.00 2.76 H new ATOM 1154 N VAL A 78 12.168 -20.041 1.683 1.00 1.91 N ATOM 1155 CA VAL A 78 10.976 -19.427 2.257 1.00 1.72 C ATOM 1156 C VAL A 78 10.694 -18.063 1.627 1.00 1.48 C ATOM 1157 O VAL A 78 11.615 -17.382 1.174 1.00 1.45 O ATOM 1158 CB VAL A 78 11.113 -19.258 3.784 1.00 1.79 C ATOM 1159 CG1 VAL A 78 11.240 -20.613 4.461 1.00 2.36 C ATOM 1160 CG2 VAL A 78 12.304 -18.373 4.119 1.00 2.28 C ATOM 0 H VAL A 78 13.031 -19.839 2.188 1.00 1.91 H new ATOM 0 HA VAL A 78 10.143 -20.097 2.044 1.00 1.72 H new ATOM 0 HB VAL A 78 10.212 -18.772 4.160 1.00 1.79 H new ATOM 0 HG11 VAL A 78 11.336 -20.474 5.538 1.00 2.36 H new ATOM 0 HG12 VAL A 78 10.353 -21.210 4.250 1.00 2.36 H new ATOM 0 HG13 VAL A 78 12.123 -21.128 4.082 1.00 2.36 H new ATOM 0 HG21 VAL A 78 12.384 -18.265 5.201 1.00 2.28 H new ATOM 0 HG22 VAL A 78 13.216 -18.827 3.731 1.00 2.28 H new ATOM 0 HG23 VAL A 78 12.167 -17.391 3.666 1.00 2.28 H new ATOM 1170 N PRO A 79 9.413 -17.645 1.589 1.00 1.39 N ATOM 1171 CA PRO A 79 9.025 -16.357 1.011 1.00 1.22 C ATOM 1172 C PRO A 79 9.353 -15.183 1.930 1.00 1.05 C ATOM 1173 O PRO A 79 8.502 -14.712 2.684 1.00 1.01 O ATOM 1174 CB PRO A 79 7.514 -16.494 0.837 1.00 1.32 C ATOM 1175 CG PRO A 79 7.099 -17.431 1.916 1.00 1.49 C ATOM 1176 CD PRO A 79 8.245 -18.392 2.102 1.00 1.56 C ATOM 0 HA PRO A 79 9.560 -16.147 0.085 1.00 1.22 H new ATOM 0 HB2 PRO A 79 7.014 -15.530 0.934 1.00 1.32 H new ATOM 0 HB3 PRO A 79 7.262 -16.886 -0.148 1.00 1.32 H new ATOM 0 HG2 PRO A 79 6.889 -16.892 2.840 1.00 1.49 H new ATOM 0 HG3 PRO A 79 6.187 -17.961 1.642 1.00 1.49 H new ATOM 0 HD2 PRO A 79 8.373 -18.665 3.149 1.00 1.56 H new ATOM 0 HD3 PRO A 79 8.086 -19.317 1.548 1.00 1.56 H new ATOM 1184 N GLN A 80 10.600 -14.736 1.875 1.00 1.07 N ATOM 1185 CA GLN A 80 11.054 -13.612 2.688 1.00 0.95 C ATOM 1186 C GLN A 80 11.010 -12.324 1.885 1.00 0.84 C ATOM 1187 O GLN A 80 10.847 -11.233 2.428 1.00 0.76 O ATOM 1188 CB GLN A 80 12.478 -13.864 3.168 1.00 1.04 C ATOM 1189 CG GLN A 80 13.491 -14.000 2.043 1.00 1.88 C ATOM 1190 CD GLN A 80 14.902 -14.218 2.557 1.00 2.50 C ATOM 1191 OE1 GLN A 80 15.267 -13.734 3.628 1.00 2.79 O ATOM 1192 NE2 GLN A 80 15.703 -14.952 1.794 1.00 3.30 N ATOM 0 H GLN A 80 11.320 -15.136 1.273 1.00 1.07 H new ATOM 0 HA GLN A 80 10.391 -13.515 3.548 1.00 0.95 H new ATOM 0 HB2 GLN A 80 12.782 -13.045 3.820 1.00 1.04 H new ATOM 0 HB3 GLN A 80 12.493 -14.773 3.769 1.00 1.04 H new ATOM 0 HG2 GLN A 80 13.208 -14.835 1.402 1.00 1.88 H new ATOM 0 HG3 GLN A 80 13.467 -13.102 1.426 1.00 1.88 H new ATOM 0 HE21 GLN A 80 15.359 -15.334 0.913 1.00 3.30 H new ATOM 0 HE22 GLN A 80 16.662 -15.134 2.089 1.00 3.30 H new ATOM 1201 N GLU A 81 11.166 -12.489 0.584 1.00 0.91 N ATOM 1202 CA GLU A 81 11.168 -11.378 -0.367 1.00 0.90 C ATOM 1203 C GLU A 81 10.102 -10.327 -0.057 1.00 0.76 C ATOM 1204 O GLU A 81 10.361 -9.132 -0.175 1.00 0.81 O ATOM 1205 CB GLU A 81 10.959 -11.908 -1.786 1.00 1.05 C ATOM 1206 CG GLU A 81 12.096 -12.785 -2.281 1.00 1.35 C ATOM 1207 CD GLU A 81 11.865 -13.297 -3.690 1.00 2.04 C ATOM 1208 OE1 GLU A 81 12.277 -12.608 -4.647 1.00 2.16 O ATOM 1209 OE2 GLU A 81 11.269 -14.384 -3.836 1.00 2.78 O ATOM 0 H GLU A 81 11.296 -13.402 0.148 1.00 0.91 H new ATOM 0 HA GLU A 81 12.139 -10.891 -0.280 1.00 0.90 H new ATOM 0 HB2 GLU A 81 10.031 -12.478 -1.819 1.00 1.05 H new ATOM 0 HB3 GLU A 81 10.839 -11.065 -2.466 1.00 1.05 H new ATOM 0 HG2 GLU A 81 13.027 -12.218 -2.252 1.00 1.35 H new ATOM 0 HG3 GLU A 81 12.218 -13.632 -1.606 1.00 1.35 H new ATOM 1216 N LEU A 82 8.906 -10.764 0.331 1.00 0.62 N ATOM 1217 CA LEU A 82 7.825 -9.822 0.632 1.00 0.53 C ATOM 1218 C LEU A 82 8.227 -8.838 1.731 1.00 0.43 C ATOM 1219 O LEU A 82 8.263 -7.629 1.503 1.00 0.46 O ATOM 1220 CB LEU A 82 6.550 -10.566 1.042 1.00 0.52 C ATOM 1221 CG LEU A 82 6.765 -11.822 1.885 1.00 0.68 C ATOM 1222 CD1 LEU A 82 5.730 -11.904 2.995 1.00 1.20 C ATOM 1223 CD2 LEU A 82 6.700 -13.059 1.005 1.00 1.25 C ATOM 0 H LEU A 82 8.661 -11.748 0.444 1.00 0.62 H new ATOM 0 HA LEU A 82 7.628 -9.256 -0.279 1.00 0.53 H new ATOM 0 HB2 LEU A 82 5.913 -9.880 1.600 1.00 0.52 H new ATOM 0 HB3 LEU A 82 6.006 -10.844 0.139 1.00 0.52 H new ATOM 0 HG LEU A 82 7.753 -11.769 2.343 1.00 0.68 H new ATOM 0 HD11 LEU A 82 5.899 -12.805 3.585 1.00 1.20 H new ATOM 0 HD12 LEU A 82 5.816 -11.028 3.638 1.00 1.20 H new ATOM 0 HD13 LEU A 82 4.731 -11.938 2.560 1.00 1.20 H new ATOM 0 HD21 LEU A 82 6.855 -13.949 1.616 1.00 1.25 H new ATOM 0 HD22 LEU A 82 5.723 -13.113 0.525 1.00 1.25 H new ATOM 0 HD23 LEU A 82 7.476 -13.004 0.242 1.00 1.25 H new ATOM 1235 N LEU A 83 8.538 -9.356 2.915 1.00 0.43 N ATOM 1236 CA LEU A 83 8.930 -8.506 4.037 1.00 0.38 C ATOM 1237 C LEU A 83 10.266 -7.822 3.768 1.00 0.37 C ATOM 1238 O LEU A 83 10.556 -6.762 4.327 1.00 0.33 O ATOM 1239 CB LEU A 83 9.013 -9.328 5.326 1.00 0.43 C ATOM 1240 CG LEU A 83 7.667 -9.654 5.978 1.00 0.48 C ATOM 1241 CD1 LEU A 83 7.851 -10.666 7.100 1.00 0.57 C ATOM 1242 CD2 LEU A 83 7.010 -8.387 6.508 1.00 0.54 C ATOM 0 H LEU A 83 8.527 -10.354 3.123 1.00 0.43 H new ATOM 0 HA LEU A 83 8.168 -7.735 4.155 1.00 0.38 H new ATOM 0 HB2 LEU A 83 9.530 -10.263 5.109 1.00 0.43 H new ATOM 0 HB3 LEU A 83 9.625 -8.785 6.046 1.00 0.43 H new ATOM 0 HG LEU A 83 7.015 -10.090 5.222 1.00 0.48 H new ATOM 0 HD11 LEU A 83 6.884 -10.887 7.553 1.00 0.57 H new ATOM 0 HD12 LEU A 83 8.280 -11.583 6.696 1.00 0.57 H new ATOM 0 HD13 LEU A 83 8.520 -10.254 7.855 1.00 0.57 H new ATOM 0 HD21 LEU A 83 6.054 -8.638 6.968 1.00 0.54 H new ATOM 0 HD22 LEU A 83 7.660 -7.924 7.251 1.00 0.54 H new ATOM 0 HD23 LEU A 83 6.845 -7.691 5.685 1.00 0.54 H new ATOM 1254 N ASN A 84 11.073 -8.430 2.907 1.00 0.47 N ATOM 1255 CA ASN A 84 12.382 -7.886 2.568 1.00 0.53 C ATOM 1256 C ASN A 84 12.253 -6.602 1.752 1.00 0.47 C ATOM 1257 O ASN A 84 12.897 -5.600 2.056 1.00 0.45 O ATOM 1258 CB ASN A 84 13.198 -8.918 1.786 1.00 0.69 C ATOM 1259 CG ASN A 84 14.575 -8.405 1.414 1.00 0.75 C ATOM 1260 OD1 ASN A 84 14.762 -7.810 0.352 1.00 1.44 O ATOM 1261 ND2 ASN A 84 15.549 -8.635 2.287 1.00 1.15 N ATOM 0 H ASN A 84 10.843 -9.302 2.430 1.00 0.47 H new ATOM 0 HA ASN A 84 12.897 -7.649 3.499 1.00 0.53 H new ATOM 0 HB2 ASN A 84 13.300 -9.824 2.383 1.00 0.69 H new ATOM 0 HB3 ASN A 84 12.658 -9.192 0.880 1.00 0.69 H new ATOM 0 HD21 ASN A 84 16.497 -8.315 2.090 1.00 1.15 H new ATOM 0 HD22 ASN A 84 15.349 -9.132 3.155 1.00 1.15 H new ATOM 1268 N ARG A 85 11.414 -6.639 0.721 1.00 0.51 N ATOM 1269 CA ARG A 85 11.210 -5.479 -0.142 1.00 0.54 C ATOM 1270 C ARG A 85 10.386 -4.405 0.560 1.00 0.44 C ATOM 1271 O ARG A 85 10.458 -3.228 0.207 1.00 0.48 O ATOM 1272 CB ARG A 85 10.523 -5.897 -1.442 1.00 0.67 C ATOM 1273 CG ARG A 85 9.114 -6.437 -1.245 1.00 0.68 C ATOM 1274 CD ARG A 85 8.489 -6.858 -2.564 1.00 0.87 C ATOM 1275 NE ARG A 85 8.405 -5.747 -3.508 1.00 1.36 N ATOM 1276 CZ ARG A 85 8.088 -5.892 -4.793 1.00 1.62 C ATOM 1277 NH1 ARG A 85 7.830 -7.096 -5.284 1.00 1.60 N ATOM 1278 NH2 ARG A 85 8.032 -4.830 -5.585 1.00 2.17 N ATOM 0 H ARG A 85 10.865 -7.459 0.463 1.00 0.51 H new ATOM 0 HA ARG A 85 12.189 -5.060 -0.374 1.00 0.54 H new ATOM 0 HB2 ARG A 85 10.483 -5.039 -2.113 1.00 0.67 H new ATOM 0 HB3 ARG A 85 11.129 -6.658 -1.934 1.00 0.67 H new ATOM 0 HG2 ARG A 85 9.142 -7.289 -0.566 1.00 0.68 H new ATOM 0 HG3 ARG A 85 8.494 -5.674 -0.774 1.00 0.68 H new ATOM 0 HD2 ARG A 85 9.077 -7.664 -3.003 1.00 0.87 H new ATOM 0 HD3 ARG A 85 7.491 -7.255 -2.382 1.00 0.87 H new ATOM 0 HE ARG A 85 8.600 -4.807 -3.164 1.00 1.36 H new ATOM 0 HH11 ARG A 85 7.874 -7.915 -4.677 1.00 1.60 H new ATOM 0 HH12 ARG A 85 7.587 -7.204 -6.269 1.00 1.60 H new ATOM 0 HH21 ARG A 85 8.232 -3.903 -5.210 1.00 2.17 H new ATOM 0 HH22 ARG A 85 7.789 -4.940 -6.570 1.00 2.17 H new ATOM 1292 N VAL A 86 9.601 -4.812 1.552 1.00 0.34 N ATOM 1293 CA VAL A 86 8.767 -3.875 2.297 1.00 0.31 C ATOM 1294 C VAL A 86 9.608 -3.008 3.229 1.00 0.25 C ATOM 1295 O VAL A 86 9.594 -1.781 3.128 1.00 0.31 O ATOM 1296 CB VAL A 86 7.686 -4.613 3.115 1.00 0.32 C ATOM 1297 CG1 VAL A 86 7.020 -3.674 4.110 1.00 0.70 C ATOM 1298 CG2 VAL A 86 6.651 -5.228 2.187 1.00 0.77 C ATOM 0 H VAL A 86 9.525 -5.782 1.858 1.00 0.34 H new ATOM 0 HA VAL A 86 8.276 -3.234 1.565 1.00 0.31 H new ATOM 0 HB VAL A 86 8.170 -5.412 3.678 1.00 0.32 H new ATOM 0 HG11 VAL A 86 6.262 -4.219 4.673 1.00 0.70 H new ATOM 0 HG12 VAL A 86 7.770 -3.280 4.796 1.00 0.70 H new ATOM 0 HG13 VAL A 86 6.550 -2.849 3.574 1.00 0.70 H new ATOM 0 HG21 VAL A 86 5.895 -5.745 2.777 1.00 0.77 H new ATOM 0 HG22 VAL A 86 6.177 -4.442 1.599 1.00 0.77 H new ATOM 0 HG23 VAL A 86 7.138 -5.938 1.519 1.00 0.77 H new ATOM 1308 N LEU A 87 10.337 -3.649 4.136 1.00 0.18 N ATOM 1309 CA LEU A 87 11.180 -2.930 5.083 1.00 0.21 C ATOM 1310 C LEU A 87 12.297 -2.184 4.358 1.00 0.21 C ATOM 1311 O LEU A 87 12.759 -1.138 4.818 1.00 0.27 O ATOM 1312 CB LEU A 87 11.772 -3.897 6.111 1.00 0.27 C ATOM 1313 CG LEU A 87 10.746 -4.699 6.916 1.00 0.53 C ATOM 1314 CD1 LEU A 87 11.445 -5.693 7.830 1.00 1.18 C ATOM 1315 CD2 LEU A 87 9.850 -3.770 7.725 1.00 1.21 C ATOM 0 H LEU A 87 10.361 -4.664 4.235 1.00 0.18 H new ATOM 0 HA LEU A 87 10.560 -2.200 5.603 1.00 0.21 H new ATOM 0 HB2 LEU A 87 12.430 -4.595 5.593 1.00 0.27 H new ATOM 0 HB3 LEU A 87 12.392 -3.330 6.805 1.00 0.27 H new ATOM 0 HG LEU A 87 10.121 -5.253 6.216 1.00 0.53 H new ATOM 0 HD11 LEU A 87 10.700 -6.254 8.394 1.00 1.18 H new ATOM 0 HD12 LEU A 87 12.041 -6.382 7.231 1.00 1.18 H new ATOM 0 HD13 LEU A 87 12.096 -5.157 8.521 1.00 1.18 H new ATOM 0 HD21 LEU A 87 9.128 -4.361 8.289 1.00 1.21 H new ATOM 0 HD22 LEU A 87 10.460 -3.186 8.415 1.00 1.21 H new ATOM 0 HD23 LEU A 87 9.320 -3.097 7.051 1.00 1.21 H new ATOM 1327 N ASN A 88 12.721 -2.727 3.221 1.00 0.21 N ATOM 1328 CA ASN A 88 13.781 -2.112 2.429 1.00 0.26 C ATOM 1329 C ASN A 88 13.275 -0.850 1.744 1.00 0.23 C ATOM 1330 O ASN A 88 13.897 0.207 1.831 1.00 0.26 O ATOM 1331 CB ASN A 88 14.299 -3.093 1.378 1.00 0.32 C ATOM 1332 CG ASN A 88 15.555 -2.595 0.692 1.00 0.42 C ATOM 1333 OD1 ASN A 88 16.670 -2.860 1.143 1.00 1.17 O ATOM 1334 ND2 ASN A 88 15.382 -1.870 -0.407 1.00 1.07 N ATOM 0 H ASN A 88 12.347 -3.591 2.828 1.00 0.21 H new ATOM 0 HA ASN A 88 14.596 -1.847 3.102 1.00 0.26 H new ATOM 0 HB2 ASN A 88 14.503 -4.054 1.851 1.00 0.32 H new ATOM 0 HB3 ASN A 88 13.524 -3.264 0.631 1.00 0.32 H new ATOM 0 HD21 ASN A 88 16.191 -1.509 -0.912 1.00 1.07 H new ATOM 0 HD22 ASN A 88 14.440 -1.674 -0.746 1.00 1.07 H new ATOM 1341 N ALA A 89 12.146 -0.975 1.055 1.00 0.22 N ATOM 1342 CA ALA A 89 11.545 0.151 0.349 1.00 0.24 C ATOM 1343 C ALA A 89 11.291 1.322 1.292 1.00 0.18 C ATOM 1344 O ALA A 89 11.578 2.471 0.958 1.00 0.19 O ATOM 1345 CB ALA A 89 10.249 -0.275 -0.322 1.00 0.31 C ATOM 0 H ALA A 89 11.627 -1.849 0.970 1.00 0.22 H new ATOM 0 HA ALA A 89 12.248 0.480 -0.416 1.00 0.24 H new ATOM 0 HB1 ALA A 89 9.813 0.576 -0.845 1.00 0.31 H new ATOM 0 HB2 ALA A 89 10.454 -1.073 -1.036 1.00 0.31 H new ATOM 0 HB3 ALA A 89 9.550 -0.635 0.433 1.00 0.31 H new ATOM 1351 N HIS A 90 10.748 1.024 2.468 1.00 0.20 N ATOM 1352 CA HIS A 90 10.461 2.060 3.454 1.00 0.21 C ATOM 1353 C HIS A 90 11.750 2.749 3.889 1.00 0.21 C ATOM 1354 O HIS A 90 11.888 3.976 3.787 1.00 0.23 O ATOM 1355 CB HIS A 90 9.755 1.459 4.669 1.00 0.27 C ATOM 1356 CG HIS A 90 9.329 2.480 5.678 1.00 0.38 C ATOM 1357 ND1 HIS A 90 8.084 3.072 5.668 1.00 0.54 N ATOM 1358 CD2 HIS A 90 9.988 3.012 6.734 1.00 0.47 C ATOM 1359 CE1 HIS A 90 7.997 3.926 6.673 1.00 0.64 C ATOM 1360 NE2 HIS A 90 9.139 3.908 7.334 1.00 0.59 N ATOM 0 H HIS A 90 10.499 0.079 2.761 1.00 0.20 H new ATOM 0 HA HIS A 90 9.803 2.799 2.996 1.00 0.21 H new ATOM 0 HB2 HIS A 90 8.879 0.905 4.333 1.00 0.27 H new ATOM 0 HB3 HIS A 90 10.421 0.742 5.149 1.00 0.27 H new ATOM 0 HD2 HIS A 90 10.994 2.775 7.046 1.00 0.47 H new ATOM 0 HE1 HIS A 90 7.138 4.535 6.912 1.00 0.64 H new ATOM 0 HE2 HIS A 90 9.356 4.469 8.158 1.00 0.59 H new ATOM 1369 N GLY A 91 12.694 1.946 4.369 1.00 0.24 N ATOM 1370 CA GLY A 91 13.969 2.482 4.803 1.00 0.29 C ATOM 1371 C GLY A 91 14.692 3.182 3.676 1.00 0.27 C ATOM 1372 O GLY A 91 15.512 4.068 3.910 1.00 0.31 O ATOM 0 H GLY A 91 12.598 0.935 4.465 1.00 0.24 H new ATOM 0 HA2 GLY A 91 13.810 3.182 5.624 1.00 0.29 H new ATOM 0 HA3 GLY A 91 14.591 1.674 5.189 1.00 0.29 H new ATOM 1376 N TYR A 92 14.380 2.787 2.448 1.00 0.24 N ATOM 1377 CA TYR A 92 14.995 3.379 1.267 1.00 0.24 C ATOM 1378 C TYR A 92 14.565 4.828 1.111 1.00 0.22 C ATOM 1379 O TYR A 92 15.406 5.701 0.947 1.00 0.28 O ATOM 1380 CB TYR A 92 14.629 2.566 0.021 1.00 0.24 C ATOM 1381 CG TYR A 92 14.880 3.287 -1.282 1.00 0.24 C ATOM 1382 CD1 TYR A 92 16.151 3.343 -1.840 1.00 0.31 C ATOM 1383 CD2 TYR A 92 13.841 3.911 -1.953 1.00 0.20 C ATOM 1384 CE1 TYR A 92 16.376 4.002 -3.034 1.00 0.33 C ATOM 1385 CE2 TYR A 92 14.055 4.571 -3.146 1.00 0.24 C ATOM 1386 CZ TYR A 92 15.324 4.615 -3.683 1.00 0.30 C ATOM 1387 OH TYR A 92 15.543 5.270 -4.873 1.00 0.34 O ATOM 0 H TYR A 92 13.700 2.054 2.244 1.00 0.24 H new ATOM 0 HA TYR A 92 16.078 3.360 1.388 1.00 0.24 H new ATOM 0 HB2 TYR A 92 15.200 1.637 0.026 1.00 0.24 H new ATOM 0 HB3 TYR A 92 13.575 2.293 0.075 1.00 0.24 H new ATOM 0 HD1 TYR A 92 16.976 2.864 -1.333 1.00 0.31 H new ATOM 0 HD2 TYR A 92 12.846 3.880 -1.535 1.00 0.20 H new ATOM 0 HE1 TYR A 92 17.369 4.037 -3.456 1.00 0.33 H new ATOM 0 HE2 TYR A 92 13.233 5.050 -3.656 1.00 0.24 H new ATOM 0 HH TYR A 92 14.699 5.646 -5.200 1.00 0.34 H new ATOM 1397 N TRP A 93 13.260 5.082 1.163 1.00 0.19 N ATOM 1398 CA TRP A 93 12.753 6.447 1.037 1.00 0.21 C ATOM 1399 C TRP A 93 13.369 7.335 2.107 1.00 0.27 C ATOM 1400 O TRP A 93 13.977 8.367 1.810 1.00 0.32 O ATOM 1401 CB TRP A 93 11.229 6.491 1.177 1.00 0.21 C ATOM 1402 CG TRP A 93 10.497 5.491 0.340 1.00 0.18 C ATOM 1403 CD1 TRP A 93 10.777 5.119 -0.943 1.00 0.19 C ATOM 1404 CD2 TRP A 93 9.341 4.748 0.731 1.00 0.20 C ATOM 1405 NE1 TRP A 93 9.873 4.177 -1.368 1.00 0.20 N ATOM 1406 CE2 TRP A 93 8.978 3.934 -0.357 1.00 0.22 C ATOM 1407 CE3 TRP A 93 8.581 4.689 1.902 1.00 0.24 C ATOM 1408 CZ2 TRP A 93 7.886 3.073 -0.307 1.00 0.28 C ATOM 1409 CZ3 TRP A 93 7.498 3.836 1.950 1.00 0.30 C ATOM 1410 CH2 TRP A 93 7.160 3.036 0.852 1.00 0.32 C ATOM 0 H TRP A 93 12.541 4.370 1.290 1.00 0.19 H new ATOM 0 HA TRP A 93 13.027 6.808 0.046 1.00 0.21 H new ATOM 0 HB2 TRP A 93 10.969 6.329 2.223 1.00 0.21 H new ATOM 0 HB3 TRP A 93 10.882 7.490 0.913 1.00 0.21 H new ATOM 0 HD1 TRP A 93 11.591 5.509 -1.537 1.00 0.19 H new ATOM 0 HE1 TRP A 93 9.868 3.731 -2.285 1.00 0.20 H new ATOM 0 HE3 TRP A 93 8.837 5.301 2.755 1.00 0.24 H new ATOM 0 HZ2 TRP A 93 7.621 2.456 -1.153 1.00 0.28 H new ATOM 0 HZ3 TRP A 93 6.901 3.785 2.849 1.00 0.30 H new ATOM 0 HH2 TRP A 93 6.308 2.376 0.921 1.00 0.32 H new ATOM 1421 N THR A 94 13.199 6.925 3.362 1.00 0.29 N ATOM 1422 CA THR A 94 13.739 7.678 4.490 1.00 0.36 C ATOM 1423 C THR A 94 15.239 7.900 4.332 1.00 0.41 C ATOM 1424 O THR A 94 15.754 8.972 4.648 1.00 0.53 O ATOM 1425 CB THR A 94 13.472 6.961 5.826 1.00 0.37 C ATOM 1426 OG1 THR A 94 14.081 5.664 5.817 1.00 0.34 O ATOM 1427 CG2 THR A 94 11.978 6.823 6.079 1.00 0.39 C ATOM 0 H THR A 94 12.693 6.078 3.622 1.00 0.29 H new ATOM 0 HA THR A 94 13.231 8.642 4.500 1.00 0.36 H new ATOM 0 HB THR A 94 13.906 7.561 6.626 1.00 0.37 H new ATOM 0 HG1 THR A 94 13.908 5.215 6.671 1.00 0.34 H new ATOM 0 HG21 THR A 94 11.815 6.313 7.029 1.00 0.39 H new ATOM 0 HG22 THR A 94 11.522 7.812 6.115 1.00 0.39 H new ATOM 0 HG23 THR A 94 11.525 6.244 5.274 1.00 0.39 H new ATOM 1435 N GLN A 95 15.934 6.879 3.839 1.00 0.40 N ATOM 1436 CA GLN A 95 17.374 6.966 3.629 1.00 0.48 C ATOM 1437 C GLN A 95 17.679 7.567 2.266 1.00 0.53 C ATOM 1438 O GLN A 95 18.832 7.850 1.943 1.00 0.59 O ATOM 1439 CB GLN A 95 18.018 5.585 3.744 1.00 0.49 C ATOM 1440 CG GLN A 95 18.066 5.051 5.167 1.00 0.52 C ATOM 1441 CD GLN A 95 18.712 3.681 5.261 1.00 1.15 C ATOM 1442 OE1 GLN A 95 19.335 3.345 6.269 1.00 1.95 O ATOM 1443 NE2 GLN A 95 18.566 2.881 4.210 1.00 1.92 N ATOM 0 H GLN A 95 15.523 5.983 3.578 1.00 0.40 H new ATOM 0 HA GLN A 95 17.791 7.613 4.401 1.00 0.48 H new ATOM 0 HB2 GLN A 95 17.465 4.883 3.120 1.00 0.49 H new ATOM 0 HB3 GLN A 95 19.033 5.633 3.349 1.00 0.49 H new ATOM 0 HG2 GLN A 95 18.618 5.751 5.794 1.00 0.52 H new ATOM 0 HG3 GLN A 95 17.052 4.997 5.564 1.00 0.52 H new ATOM 0 HE21 GLN A 95 18.042 3.200 3.395 1.00 1.92 H new ATOM 0 HE22 GLN A 95 18.978 1.948 4.218 1.00 1.92 H new ATOM 1452 N GLN A 96 16.633 7.761 1.468 1.00 0.83 N ATOM 1453 CA GLN A 96 16.788 8.332 0.141 1.00 0.94 C ATOM 1454 C GLN A 96 16.907 9.846 0.234 1.00 0.86 C ATOM 1455 O GLN A 96 17.532 10.484 -0.612 1.00 0.86 O ATOM 1456 CB GLN A 96 15.606 7.959 -0.759 1.00 1.30 C ATOM 1457 CG GLN A 96 15.696 8.544 -2.160 1.00 1.60 C ATOM 1458 CD GLN A 96 14.493 8.198 -3.016 1.00 2.49 C ATOM 1459 OE1 GLN A 96 13.386 8.017 -2.508 1.00 3.18 O ATOM 1460 NE2 GLN A 96 14.705 8.103 -4.322 1.00 3.01 N ATOM 0 H GLN A 96 15.672 7.530 1.720 1.00 0.83 H new ATOM 0 HA GLN A 96 17.698 7.924 -0.299 1.00 0.94 H new ATOM 0 HB2 GLN A 96 15.544 6.873 -0.831 1.00 1.30 H new ATOM 0 HB3 GLN A 96 14.683 8.300 -0.291 1.00 1.30 H new ATOM 0 HG2 GLN A 96 15.789 9.628 -2.092 1.00 1.60 H new ATOM 0 HG3 GLN A 96 16.600 8.177 -2.645 1.00 1.60 H new ATOM 0 HE21 GLN A 96 15.639 8.261 -4.700 1.00 3.01 H new ATOM 0 HE22 GLN A 96 13.934 7.872 -4.948 1.00 3.01 H new ATOM 1469 N GLN A 97 16.291 10.413 1.269 1.00 0.87 N ATOM 1470 CA GLN A 97 16.319 11.856 1.486 1.00 0.96 C ATOM 1471 C GLN A 97 15.664 12.585 0.317 1.00 1.19 C ATOM 1472 O GLN A 97 16.168 13.603 -0.158 1.00 1.41 O ATOM 1473 CB GLN A 97 17.759 12.343 1.670 1.00 0.83 C ATOM 1474 CG GLN A 97 18.470 11.703 2.851 1.00 1.07 C ATOM 1475 CD GLN A 97 19.894 12.202 3.021 1.00 1.42 C ATOM 1476 OE1 GLN A 97 20.410 12.270 4.135 1.00 1.77 O ATOM 1477 NE2 GLN A 97 20.537 12.552 1.912 1.00 2.20 N ATOM 0 H GLN A 97 15.765 9.893 1.972 1.00 0.87 H new ATOM 0 HA GLN A 97 15.757 12.076 2.394 1.00 0.96 H new ATOM 0 HB2 GLN A 97 18.323 12.135 0.761 1.00 0.83 H new ATOM 0 HB3 GLN A 97 17.754 13.425 1.802 1.00 0.83 H new ATOM 0 HG2 GLN A 97 17.907 11.907 3.762 1.00 1.07 H new ATOM 0 HG3 GLN A 97 18.482 10.621 2.719 1.00 1.07 H new ATOM 0 HE21 GLN A 97 20.071 12.480 1.008 1.00 2.20 H new ATOM 0 HE22 GLN A 97 21.497 12.893 1.965 1.00 2.20 H new ATOM 1486 N MET A 98 14.532 12.050 -0.134 1.00 1.20 N ATOM 1487 CA MET A 98 13.789 12.634 -1.248 1.00 1.44 C ATOM 1488 C MET A 98 14.626 12.650 -2.527 1.00 1.61 C ATOM 1489 O MET A 98 15.150 13.690 -2.927 1.00 1.80 O ATOM 1490 CB MET A 98 13.328 14.052 -0.901 1.00 1.57 C ATOM 1491 CG MET A 98 12.432 14.679 -1.958 1.00 1.64 C ATOM 1492 SD MET A 98 11.887 16.340 -1.512 1.00 2.00 S ATOM 1493 CE MET A 98 13.457 17.201 -1.426 1.00 2.39 C ATOM 0 H MET A 98 14.108 11.209 0.257 1.00 1.20 H new ATOM 0 HA MET A 98 12.913 12.011 -1.425 1.00 1.44 H new ATOM 0 HB2 MET A 98 12.793 14.029 0.049 1.00 1.57 H new ATOM 0 HB3 MET A 98 14.204 14.685 -0.758 1.00 1.57 H new ATOM 0 HG2 MET A 98 12.969 14.719 -2.906 1.00 1.64 H new ATOM 0 HG3 MET A 98 11.560 14.044 -2.112 1.00 1.64 H new ATOM 0 HE1 MET A 98 13.289 18.274 -1.515 1.00 2.39 H new ATOM 0 HE2 MET A 98 13.938 16.987 -0.471 1.00 2.39 H new ATOM 0 HE3 MET A 98 14.101 16.866 -2.239 1.00 2.39 H new ATOM 1503 N GLN A 99 14.755 11.482 -3.153 1.00 1.77 N ATOM 1504 CA GLN A 99 15.509 11.343 -4.399 1.00 2.06 C ATOM 1505 C GLN A 99 16.969 11.773 -4.238 1.00 1.82 C ATOM 1506 O GLN A 99 17.692 11.885 -5.227 1.00 2.41 O ATOM 1507 CB GLN A 99 14.850 12.161 -5.512 1.00 2.62 C ATOM 1508 CG GLN A 99 13.420 11.741 -5.810 1.00 3.49 C ATOM 1509 CD GLN A 99 12.786 12.568 -6.911 1.00 3.87 C ATOM 1510 OE1 GLN A 99 13.117 13.740 -7.092 1.00 3.94 O ATOM 1511 NE2 GLN A 99 11.869 11.960 -7.654 1.00 4.42 N ATOM 0 H GLN A 99 14.344 10.612 -2.815 1.00 1.77 H new ATOM 0 HA GLN A 99 15.500 10.286 -4.666 1.00 2.06 H new ATOM 0 HB2 GLN A 99 14.860 13.214 -5.232 1.00 2.62 H new ATOM 0 HB3 GLN A 99 15.444 12.067 -6.421 1.00 2.62 H new ATOM 0 HG2 GLN A 99 13.407 10.690 -6.097 1.00 3.49 H new ATOM 0 HG3 GLN A 99 12.822 11.831 -4.903 1.00 3.49 H new ATOM 0 HE21 GLN A 99 11.626 10.987 -7.469 1.00 4.42 H new ATOM 0 HE22 GLN A 99 11.408 12.466 -8.410 1.00 4.42 H new ATOM 1520 N GLN A 100 17.389 12.001 -2.992 1.00 1.64 N ATOM 1521 CA GLN A 100 18.764 12.419 -2.688 1.00 2.11 C ATOM 1522 C GLN A 100 19.290 13.427 -3.716 1.00 2.41 C ATOM 1523 O GLN A 100 18.514 14.141 -4.352 1.00 3.04 O ATOM 1524 CB GLN A 100 19.693 11.199 -2.601 1.00 2.89 C ATOM 1525 CG GLN A 100 19.814 10.406 -3.893 1.00 3.38 C ATOM 1526 CD GLN A 100 20.667 9.162 -3.736 1.00 4.11 C ATOM 1527 OE1 GLN A 100 20.741 8.578 -2.655 1.00 4.56 O ATOM 1528 NE2 GLN A 100 21.314 8.750 -4.819 1.00 4.74 N ATOM 0 H GLN A 100 16.793 11.903 -2.170 1.00 1.64 H new ATOM 0 HA GLN A 100 18.750 12.917 -1.718 1.00 2.11 H new ATOM 0 HB2 GLN A 100 20.686 11.535 -2.301 1.00 2.89 H new ATOM 0 HB3 GLN A 100 19.330 10.537 -1.815 1.00 2.89 H new ATOM 0 HG2 GLN A 100 18.819 10.119 -4.233 1.00 3.38 H new ATOM 0 HG3 GLN A 100 20.245 11.042 -4.666 1.00 3.38 H new ATOM 0 HE21 GLN A 100 21.223 9.266 -5.694 1.00 4.74 H new ATOM 0 HE22 GLN A 100 21.902 7.918 -4.776 1.00 4.74 H new ATOM 1537 N LEU A 101 20.612 13.495 -3.860 1.00 2.78 N ATOM 1538 CA LEU A 101 21.233 14.415 -4.807 1.00 3.83 C ATOM 1539 C LEU A 101 21.663 13.686 -6.078 1.00 4.48 C ATOM 1540 O LEU A 101 22.494 14.184 -6.838 1.00 5.34 O ATOM 1541 CB LEU A 101 22.441 15.100 -4.164 1.00 4.43 C ATOM 1542 CG LEU A 101 22.136 15.913 -2.904 1.00 4.77 C ATOM 1543 CD1 LEU A 101 23.422 16.432 -2.281 1.00 4.69 C ATOM 1544 CD2 LEU A 101 21.197 17.067 -3.228 1.00 5.61 C ATOM 0 H LEU A 101 21.272 12.924 -3.333 1.00 2.78 H new ATOM 0 HA LEU A 101 20.495 15.170 -5.078 1.00 3.83 H new ATOM 0 HB2 LEU A 101 23.180 14.339 -3.915 1.00 4.43 H new ATOM 0 HB3 LEU A 101 22.899 15.760 -4.901 1.00 4.43 H new ATOM 0 HG LEU A 101 21.643 15.260 -2.184 1.00 4.77 H new ATOM 0 HD11 LEU A 101 23.186 17.008 -1.386 1.00 4.69 H new ATOM 0 HD12 LEU A 101 24.062 15.591 -2.013 1.00 4.69 H new ATOM 0 HD13 LEU A 101 23.941 17.070 -2.996 1.00 4.69 H new ATOM 0 HD21 LEU A 101 20.991 17.634 -2.320 1.00 5.61 H new ATOM 0 HD22 LEU A 101 21.664 17.720 -3.966 1.00 5.61 H new ATOM 0 HD23 LEU A 101 20.263 16.674 -3.630 1.00 5.61 H new ATOM 1556 N GLN A 102 21.088 12.510 -6.302 1.00 4.30 N ATOM 1557 CA GLN A 102 21.413 11.710 -7.477 1.00 5.04 C ATOM 1558 C GLN A 102 20.212 10.867 -7.901 1.00 4.85 C ATOM 1559 O GLN A 102 19.212 10.798 -7.184 1.00 4.39 O ATOM 1560 CB GLN A 102 22.616 10.807 -7.183 1.00 5.64 C ATOM 1561 CG GLN A 102 23.248 10.197 -8.425 1.00 6.55 C ATOM 1562 CD GLN A 102 24.452 9.335 -8.102 1.00 7.14 C ATOM 1563 OE1 GLN A 102 25.161 9.579 -7.127 1.00 7.84 O ATOM 1564 NE2 GLN A 102 24.689 8.320 -8.924 1.00 7.12 N ATOM 0 H GLN A 102 20.394 12.089 -5.685 1.00 4.30 H new ATOM 0 HA GLN A 102 21.668 12.383 -8.295 1.00 5.04 H new ATOM 0 HB2 GLN A 102 23.371 11.386 -6.650 1.00 5.64 H new ATOM 0 HB3 GLN A 102 22.301 10.004 -6.516 1.00 5.64 H new ATOM 0 HG2 GLN A 102 22.505 9.595 -8.948 1.00 6.55 H new ATOM 0 HG3 GLN A 102 23.548 10.995 -9.105 1.00 6.55 H new ATOM 0 HE21 GLN A 102 24.074 8.155 -9.721 1.00 7.12 H new ATOM 0 HE22 GLN A 102 25.486 7.705 -8.759 1.00 7.12 H new ATOM 1573 N GLN A 103 20.313 10.235 -9.070 1.00 5.38 N ATOM 1574 CA GLN A 103 19.234 9.398 -9.591 1.00 5.37 C ATOM 1575 C GLN A 103 17.976 10.218 -9.832 1.00 4.86 C ATOM 1576 O GLN A 103 17.144 10.379 -8.938 1.00 4.73 O ATOM 1577 CB GLN A 103 18.937 8.243 -8.629 1.00 6.20 C ATOM 1578 CG GLN A 103 17.863 7.291 -9.133 1.00 6.93 C ATOM 1579 CD GLN A 103 17.569 6.168 -8.157 1.00 7.74 C ATOM 1580 OE1 GLN A 103 17.210 5.061 -8.558 1.00 8.12 O ATOM 1581 NE2 GLN A 103 17.711 6.450 -6.866 1.00 8.28 N ATOM 0 H GLN A 103 21.133 10.287 -9.675 1.00 5.38 H new ATOM 0 HA GLN A 103 19.561 8.984 -10.545 1.00 5.37 H new ATOM 0 HB2 GLN A 103 19.855 7.682 -8.454 1.00 6.20 H new ATOM 0 HB3 GLN A 103 18.626 8.653 -7.668 1.00 6.20 H new ATOM 0 HG2 GLN A 103 16.947 7.851 -9.322 1.00 6.93 H new ATOM 0 HG3 GLN A 103 18.179 6.865 -10.085 1.00 6.93 H new ATOM 0 HE21 GLN A 103 18.011 7.381 -6.577 1.00 8.28 H new ATOM 0 HE22 GLN A 103 17.520 5.735 -6.164 1.00 8.28 H new ATOM 1590 N ASN A 104 17.846 10.741 -11.046 1.00 4.95 N ATOM 1591 CA ASN A 104 16.684 11.539 -11.410 1.00 4.92 C ATOM 1592 C ASN A 104 15.668 10.688 -12.162 1.00 4.38 C ATOM 1593 O ASN A 104 15.516 10.811 -13.378 1.00 4.77 O ATOM 1594 CB ASN A 104 17.105 12.737 -12.265 1.00 5.78 C ATOM 1595 CG ASN A 104 18.039 13.678 -11.529 1.00 6.30 C ATOM 1596 OD1 ASN A 104 18.804 13.259 -10.662 1.00 6.58 O ATOM 1597 ND2 ASN A 104 17.978 14.959 -11.874 1.00 6.74 N ATOM 0 H ASN A 104 18.531 10.626 -11.793 1.00 4.95 H new ATOM 0 HA ASN A 104 16.220 11.909 -10.495 1.00 4.92 H new ATOM 0 HB2 ASN A 104 17.595 12.379 -13.170 1.00 5.78 H new ATOM 0 HB3 ASN A 104 16.217 13.285 -12.579 1.00 5.78 H new ATOM 0 HD21 ASN A 104 18.582 15.640 -11.414 1.00 6.74 H new ATOM 0 HD22 ASN A 104 17.328 15.261 -12.599 1.00 6.74 H new ATOM 1604 N VAL A 105 14.986 9.817 -11.426 1.00 3.82 N ATOM 1605 CA VAL A 105 13.973 8.942 -12.010 1.00 3.47 C ATOM 1606 C VAL A 105 12.945 9.737 -12.812 1.00 4.13 C ATOM 1607 O VAL A 105 12.014 10.298 -12.198 1.00 4.85 O ATOM 1608 CB VAL A 105 13.248 8.114 -10.928 1.00 2.75 C ATOM 1609 CG1 VAL A 105 14.107 6.939 -10.489 1.00 2.73 C ATOM 1610 CG2 VAL A 105 12.884 8.985 -9.733 1.00 2.66 C ATOM 1611 OXT VAL A 105 13.080 9.790 -14.053 1.00 4.21 O ATOM 0 H VAL A 105 15.116 9.697 -10.421 1.00 3.82 H new ATOM 0 HA VAL A 105 14.497 8.262 -12.681 1.00 3.47 H new ATOM 0 HB VAL A 105 12.326 7.725 -11.360 1.00 2.75 H new ATOM 0 HG11 VAL A 105 13.579 6.367 -9.726 1.00 2.73 H new ATOM 0 HG12 VAL A 105 14.312 6.298 -11.346 1.00 2.73 H new ATOM 0 HG13 VAL A 105 15.047 7.309 -10.080 1.00 2.73 H new ATOM 0 HG21 VAL A 105 12.374 8.380 -8.984 1.00 2.66 H new ATOM 0 HG22 VAL A 105 13.791 9.408 -9.302 1.00 2.66 H new ATOM 0 HG23 VAL A 105 12.226 9.791 -10.057 1.00 2.66 H new TER 1621 VAL A 105