USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 743 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 33 HIS : no HD1:sc= -3.61 X(o=-3.6,f=-3.2!) USER MOD Set 1.2: A 35 TYR OH : rot 180:sc=-0.00525 USER MOD Single : A 26 SER OG : rot -150:sc= -1.66 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.45) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 28:sc= 0.701 USER MOD Single : A 51 SER OG : rot 160:sc= 0.389 USER MOD Single : A 52 SER OG : rot 107:sc= -2.5! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 67 GLN : amide:sc= -0.413 X(o=-0.41,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.1) USER MOD Single : A 91 TYR OH : rot -154:sc= 1.18 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.807 K(o=-0.81,f=-0.053) USER MOD Single : A 98 LYS NZ :NH3+ -155:sc= -1.03 (180deg=-2.18!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 22 -7.687 13.046 -8.467 1.00 0.00 N ATOM 2 CA ARG A 22 -6.791 12.513 -7.408 1.00 0.00 C ATOM 3 C ARG A 22 -7.134 11.066 -7.070 1.00 0.00 C ATOM 4 O ARG A 22 -8.290 10.653 -7.161 1.00 0.00 O ATOM 5 CB ARG A 22 -6.931 13.392 -6.162 1.00 0.00 C ATOM 6 CG ARG A 22 -6.231 12.829 -4.933 1.00 0.00 C ATOM 7 CD ARG A 22 -6.437 13.719 -3.717 1.00 0.00 C ATOM 8 NE ARG A 22 -5.528 14.864 -3.716 1.00 0.00 N ATOM 9 CZ ARG A 22 -5.794 16.027 -4.308 1.00 0.00 C ATOM 10 NH1 ARG A 22 -6.940 16.210 -4.953 1.00 0.00 N ATOM 11 NH2 ARG A 22 -4.909 17.013 -4.254 1.00 0.00 N ATOM 0 HA ARG A 22 -5.763 12.531 -7.769 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.526 14.381 -6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.990 13.523 -5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.612 11.830 -4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.165 12.728 -5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.467 14.074 -3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.285 13.134 -2.810 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.635 14.766 -3.232 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.626 15.456 -4.998 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.135 17.104 -5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.027 16.880 -3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.111 17.905 -4.707 1.00 0.00 H new ATOM 27 N LEU A 23 -6.120 10.301 -6.679 1.00 0.00 N ATOM 28 CA LEU A 23 -6.310 8.903 -6.323 1.00 0.00 C ATOM 29 C LEU A 23 -6.198 8.714 -4.814 1.00 0.00 C ATOM 30 O LEU A 23 -5.304 9.264 -4.177 1.00 0.00 O ATOM 31 CB LEU A 23 -5.288 8.023 -7.053 1.00 0.00 C ATOM 32 CG LEU A 23 -5.340 8.051 -8.595 1.00 0.00 C ATOM 33 CD1 LEU A 23 -5.579 6.655 -9.147 1.00 0.00 C ATOM 34 CD2 LEU A 23 -6.408 9.008 -9.114 1.00 0.00 C ATOM 0 H LEU A 23 -5.157 10.628 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.311 8.601 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.289 8.326 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.427 6.993 -6.725 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.373 8.414 -8.942 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.613 6.695 -10.236 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.770 5.996 -8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.527 6.271 -8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.409 8.996 -10.204 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.386 8.696 -8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.194 10.017 -8.763 1.00 0.00 H new ATOM 46 N ARG A 24 -7.118 7.940 -4.247 1.00 0.00 N ATOM 47 CA ARG A 24 -7.127 7.685 -2.813 1.00 0.00 C ATOM 48 C ARG A 24 -6.533 6.315 -2.500 1.00 0.00 C ATOM 49 O ARG A 24 -6.957 5.300 -3.053 1.00 0.00 O ATOM 50 CB ARG A 24 -8.558 7.789 -2.269 1.00 0.00 C ATOM 51 CG ARG A 24 -8.765 7.129 -0.912 1.00 0.00 C ATOM 52 CD ARG A 24 -9.545 8.029 0.033 1.00 0.00 C ATOM 53 NE ARG A 24 -10.974 7.721 0.029 1.00 0.00 N ATOM 54 CZ ARG A 24 -11.517 6.714 0.708 1.00 0.00 C ATOM 55 NH1 ARG A 24 -10.756 5.911 1.442 1.00 0.00 N ATOM 56 NH2 ARG A 24 -12.826 6.507 0.653 1.00 0.00 N ATOM 0 H ARG A 24 -7.868 7.478 -4.761 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.509 8.438 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.829 8.842 -2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.241 7.336 -2.988 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.298 6.187 -1.042 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.797 6.889 -0.472 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.153 7.919 1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.398 9.070 -0.254 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.591 8.313 -0.527 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.749 6.064 1.488 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.179 5.141 1.960 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.416 7.120 0.090 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.243 5.735 1.173 1.00 0.00 H new ATOM 70 N LEU A 25 -5.555 6.298 -1.602 1.00 0.00 N ATOM 71 CA LEU A 25 -4.903 5.063 -1.202 1.00 0.00 C ATOM 72 C LEU A 25 -5.640 4.441 -0.021 1.00 0.00 C ATOM 73 O LEU A 25 -6.100 5.147 0.875 1.00 0.00 O ATOM 74 CB LEU A 25 -3.451 5.338 -0.826 1.00 0.00 C ATOM 75 CG LEU A 25 -2.496 4.170 -1.031 1.00 0.00 C ATOM 76 CD1 LEU A 25 -1.054 4.600 -0.797 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.862 3.019 -0.116 1.00 0.00 C ATOM 0 H LEU A 25 -5.197 7.132 -1.137 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.925 4.365 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.095 6.185 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.414 5.637 0.221 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.586 3.834 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.391 3.748 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.793 5.393 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.945 4.967 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.169 2.193 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.803 3.346 0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.877 2.689 -0.335 1.00 0.00 H new ATOM 89 N SER A 26 -5.758 3.120 -0.029 1.00 0.00 N ATOM 90 CA SER A 26 -6.455 2.414 1.045 1.00 0.00 C ATOM 91 C SER A 26 -5.761 1.099 1.383 1.00 0.00 C ATOM 92 O SER A 26 -5.749 0.169 0.580 1.00 0.00 O ATOM 93 CB SER A 26 -7.908 2.150 0.648 1.00 0.00 C ATOM 94 OG SER A 26 -8.354 3.092 -0.311 1.00 0.00 O ATOM 0 H SER A 26 -5.384 2.516 -0.761 1.00 0.00 H new ATOM 0 HA SER A 26 -6.434 3.048 1.932 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.000 1.142 0.243 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.544 2.197 1.532 1.00 0.00 H new ATOM 0 HG SER A 26 -9.318 3.233 -0.207 1.00 0.00 H new ATOM 100 N VAL A 27 -5.184 1.031 2.576 1.00 0.00 N ATOM 101 CA VAL A 27 -4.484 -0.166 3.021 1.00 0.00 C ATOM 102 C VAL A 27 -5.403 -1.093 3.804 1.00 0.00 C ATOM 103 O VAL A 27 -6.169 -0.649 4.658 1.00 0.00 O ATOM 104 CB VAL A 27 -3.262 0.193 3.892 1.00 0.00 C ATOM 105 CG1 VAL A 27 -3.631 0.310 5.357 1.00 0.00 C ATOM 106 CG2 VAL A 27 -2.156 -0.826 3.705 1.00 0.00 C ATOM 0 H VAL A 27 -5.187 1.793 3.254 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.145 -0.683 2.124 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.902 1.168 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.743 0.564 5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.381 1.091 5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.034 -0.640 5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.303 -0.556 4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.518 -1.813 3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.851 -0.844 2.659 1.00 0.00 H new ATOM 116 N PHE A 28 -5.320 -2.382 3.504 1.00 0.00 N ATOM 117 CA PHE A 28 -6.132 -3.370 4.169 1.00 0.00 C ATOM 118 C PHE A 28 -5.292 -4.463 4.811 1.00 0.00 C ATOM 119 O PHE A 28 -4.619 -5.234 4.127 1.00 0.00 O ATOM 120 CB PHE A 28 -7.116 -3.983 3.194 1.00 0.00 C ATOM 121 CG PHE A 28 -8.430 -4.227 3.840 1.00 0.00 C ATOM 122 CD1 PHE A 28 -9.198 -3.159 4.250 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.876 -5.511 4.077 1.00 0.00 C ATOM 124 CE1 PHE A 28 -10.399 -3.363 4.882 1.00 0.00 C ATOM 125 CE2 PHE A 28 -10.075 -5.728 4.715 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.842 -4.653 5.121 1.00 0.00 C ATOM 0 H PHE A 28 -4.690 -2.762 2.797 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.675 -2.860 4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.246 -3.320 2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.716 -4.922 2.811 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.852 -2.152 4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.279 -6.353 3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.997 -2.519 5.192 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.416 -6.736 4.898 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.784 -4.818 5.623 1.00 0.00 H new ATOM 136 N ARG A 29 -5.359 -4.531 6.133 1.00 0.00 N ATOM 137 CA ARG A 29 -4.635 -5.533 6.890 1.00 0.00 C ATOM 138 C ARG A 29 -5.602 -6.285 7.795 1.00 0.00 C ATOM 139 O ARG A 29 -6.247 -5.688 8.658 1.00 0.00 O ATOM 140 CB ARG A 29 -3.522 -4.875 7.711 1.00 0.00 C ATOM 141 CG ARG A 29 -2.133 -5.221 7.221 1.00 0.00 C ATOM 142 CD ARG A 29 -1.608 -6.480 7.890 1.00 0.00 C ATOM 143 NE ARG A 29 -1.411 -6.306 9.330 1.00 0.00 N ATOM 144 CZ ARG A 29 -2.304 -6.653 10.257 1.00 0.00 C ATOM 145 NH1 ARG A 29 -3.466 -7.189 9.907 1.00 0.00 N ATOM 146 NH2 ARG A 29 -2.031 -6.462 11.540 1.00 0.00 N ATOM 0 H ARG A 29 -5.915 -3.895 6.705 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.174 -6.242 6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.651 -3.793 7.683 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.619 -5.181 8.753 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.151 -5.362 6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.457 -4.390 7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.307 -7.298 7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.663 -6.766 7.429 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.533 -5.892 9.645 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.682 -7.339 8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.143 -7.451 10.623 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.139 -6.050 11.816 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.712 -6.727 12.251 1.00 0.00 H new ATOM 160 N SER A 30 -5.717 -7.592 7.586 1.00 0.00 N ATOM 161 CA SER A 30 -6.632 -8.404 8.385 1.00 0.00 C ATOM 162 C SER A 30 -5.939 -8.935 9.638 1.00 0.00 C ATOM 163 O SER A 30 -6.465 -8.829 10.746 1.00 0.00 O ATOM 164 CB SER A 30 -7.165 -9.572 7.552 1.00 0.00 C ATOM 165 OG SER A 30 -7.300 -9.207 6.190 1.00 0.00 O ATOM 0 H SER A 30 -5.195 -8.109 6.878 1.00 0.00 H new ATOM 0 HA SER A 30 -7.465 -7.772 8.693 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.489 -10.423 7.638 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.131 -9.891 7.944 1.00 0.00 H new ATOM 0 HG SER A 30 -7.640 -9.971 5.679 1.00 0.00 H new ATOM 171 N LEU A 31 -4.756 -9.501 9.447 1.00 0.00 N ATOM 172 CA LEU A 31 -3.967 -10.050 10.545 1.00 0.00 C ATOM 173 C LEU A 31 -2.579 -10.408 10.037 1.00 0.00 C ATOM 174 O LEU A 31 -1.580 -9.809 10.437 1.00 0.00 O ATOM 175 CB LEU A 31 -4.650 -11.288 11.132 1.00 0.00 C ATOM 176 CG LEU A 31 -3.918 -11.931 12.314 1.00 0.00 C ATOM 177 CD1 LEU A 31 -4.839 -12.041 13.520 1.00 0.00 C ATOM 178 CD2 LEU A 31 -3.378 -13.300 11.929 1.00 0.00 C ATOM 0 H LEU A 31 -4.316 -9.593 8.531 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.884 -9.301 11.333 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.655 -11.013 11.452 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.760 -12.032 10.343 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.076 -11.292 12.582 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.300 -12.500 14.349 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.176 -11.046 13.813 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.702 -12.655 13.264 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.861 -13.740 12.782 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.204 -13.946 11.632 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.681 -13.196 11.097 1.00 0.00 H new ATOM 190 N LYS A 32 -2.537 -11.367 9.124 1.00 0.00 N ATOM 191 CA LYS A 32 -1.290 -11.796 8.510 1.00 0.00 C ATOM 192 C LYS A 32 -1.340 -11.515 7.011 1.00 0.00 C ATOM 193 O LYS A 32 -0.607 -12.117 6.226 1.00 0.00 O ATOM 194 CB LYS A 32 -1.053 -13.287 8.760 1.00 0.00 C ATOM 195 CG LYS A 32 0.392 -13.716 8.557 1.00 0.00 C ATOM 196 CD LYS A 32 0.496 -14.936 7.652 1.00 0.00 C ATOM 197 CE LYS A 32 1.260 -16.067 8.324 1.00 0.00 C ATOM 198 NZ LYS A 32 2.733 -15.910 8.171 1.00 0.00 N ATOM 0 H LYS A 32 -3.361 -11.867 8.790 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.465 -11.240 8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.355 -13.529 9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.692 -13.865 8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.959 -12.892 8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.844 -13.940 9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.504 -15.279 7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.996 -14.660 6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.006 -16.097 9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.950 -17.020 7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.217 -16.700 8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.979 -15.907 7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.033 -15.013 8.603 1.00 0.00 H new ATOM 212 N HIS A 33 -2.227 -10.597 6.627 1.00 0.00 N ATOM 213 CA HIS A 33 -2.405 -10.226 5.231 1.00 0.00 C ATOM 214 C HIS A 33 -2.309 -8.717 5.050 1.00 0.00 C ATOM 215 O HIS A 33 -2.929 -7.953 5.786 1.00 0.00 O ATOM 216 CB HIS A 33 -3.765 -10.706 4.733 1.00 0.00 C ATOM 217 CG HIS A 33 -3.745 -12.080 4.147 1.00 0.00 C ATOM 218 ND1 HIS A 33 -3.102 -13.147 4.738 1.00 0.00 N ATOM 219 CD2 HIS A 33 -4.301 -12.558 3.013 1.00 0.00 C ATOM 220 CE1 HIS A 33 -3.263 -14.224 3.989 1.00 0.00 C ATOM 221 NE2 HIS A 33 -3.989 -13.892 2.936 1.00 0.00 N ATOM 0 H HIS A 33 -2.836 -10.095 7.273 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.611 -10.700 4.653 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.472 -10.686 5.562 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.133 -10.007 3.982 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.883 -11.995 2.299 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.869 -15.207 4.201 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.272 -14.525 2.187 1.00 0.00 H new ATOM 230 N ILE A 34 -1.536 -8.298 4.061 1.00 0.00 N ATOM 231 CA ILE A 34 -1.357 -6.890 3.767 1.00 0.00 C ATOM 232 C ILE A 34 -1.779 -6.591 2.331 1.00 0.00 C ATOM 233 O ILE A 34 -1.209 -7.136 1.387 1.00 0.00 O ATOM 234 CB ILE A 34 0.114 -6.482 3.965 1.00 0.00 C ATOM 235 CG1 ILE A 34 0.306 -5.003 3.651 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.025 -7.340 3.099 1.00 0.00 C ATOM 237 CD1 ILE A 34 -0.126 -4.105 4.780 1.00 0.00 C ATOM 0 H ILE A 34 -1.018 -8.923 3.443 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.981 -6.316 4.452 1.00 0.00 H new ATOM 0 HB ILE A 34 0.381 -6.646 5.009 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.356 -4.817 3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.261 -4.750 2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.061 -7.038 3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.908 -8.388 3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.759 -7.209 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.034 -3.064 4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.184 -4.266 4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.458 -4.334 5.671 1.00 0.00 H new ATOM 249 N TYR A 35 -2.786 -5.736 2.166 1.00 0.00 N ATOM 250 CA TYR A 35 -3.276 -5.396 0.833 1.00 0.00 C ATOM 251 C TYR A 35 -3.534 -3.898 0.680 1.00 0.00 C ATOM 252 O TYR A 35 -4.517 -3.383 1.204 1.00 0.00 O ATOM 253 CB TYR A 35 -4.585 -6.143 0.550 1.00 0.00 C ATOM 254 CG TYR A 35 -4.434 -7.639 0.399 1.00 0.00 C ATOM 255 CD1 TYR A 35 -4.000 -8.426 1.457 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.730 -8.265 -0.806 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.862 -9.793 1.319 1.00 0.00 C ATOM 258 CE2 TYR A 35 -4.596 -9.632 -0.952 1.00 0.00 C ATOM 259 CZ TYR A 35 -4.161 -10.392 0.112 1.00 0.00 C ATOM 260 OH TYR A 35 -4.026 -11.755 -0.031 1.00 0.00 O ATOM 0 H TYR A 35 -3.274 -5.270 2.931 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.501 -5.690 0.125 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.286 -5.941 1.360 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.028 -5.742 -0.362 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.766 -7.961 2.404 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.071 -7.673 -1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.522 -10.391 2.152 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.831 -10.103 -1.895 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.278 -12.015 -0.942 1.00 0.00 H new ATOM 270 N ALA A 36 -2.690 -3.208 -0.085 1.00 0.00 N ATOM 271 CA ALA A 36 -2.896 -1.788 -0.329 1.00 0.00 C ATOM 272 C ALA A 36 -3.595 -1.609 -1.663 1.00 0.00 C ATOM 273 O ALA A 36 -3.145 -2.115 -2.694 1.00 0.00 O ATOM 274 CB ALA A 36 -1.592 -0.998 -0.296 1.00 0.00 C ATOM 0 H ALA A 36 -1.868 -3.606 -0.540 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.519 -1.393 0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.800 0.055 -0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.125 -1.107 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.917 -1.377 -1.064 1.00 0.00 H new ATOM 280 N GLN A 37 -4.702 -0.896 -1.627 1.00 0.00 N ATOM 281 CA GLN A 37 -5.495 -0.644 -2.816 1.00 0.00 C ATOM 282 C GLN A 37 -5.435 0.823 -3.187 1.00 0.00 C ATOM 283 O GLN A 37 -5.890 1.689 -2.440 1.00 0.00 O ATOM 284 CB GLN A 37 -6.949 -1.070 -2.599 1.00 0.00 C ATOM 285 CG GLN A 37 -7.543 -1.824 -3.778 1.00 0.00 C ATOM 286 CD GLN A 37 -7.916 -3.253 -3.430 1.00 0.00 C ATOM 287 OE1 GLN A 37 -9.079 -3.643 -3.523 1.00 0.00 O ATOM 288 NE2 GLN A 37 -6.926 -4.040 -3.024 1.00 0.00 N ATOM 0 H GLN A 37 -5.078 -0.476 -0.777 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.080 -1.234 -3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.006 -1.698 -1.710 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.553 -0.184 -2.403 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.429 -1.297 -4.132 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.826 -1.829 -4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.976 -3.674 -2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.116 -5.011 -2.774 1.00 0.00 H new ATOM 297 N ILE A 38 -4.869 1.092 -4.346 1.00 0.00 N ATOM 298 CA ILE A 38 -4.743 2.450 -4.832 1.00 0.00 C ATOM 299 C ILE A 38 -5.883 2.743 -5.799 1.00 0.00 C ATOM 300 O ILE A 38 -5.854 2.338 -6.966 1.00 0.00 O ATOM 301 CB ILE A 38 -3.374 2.681 -5.504 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.304 1.736 -4.894 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.975 4.144 -5.371 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.422 2.344 -3.824 1.00 0.00 C ATOM 0 H ILE A 38 -4.487 0.383 -4.972 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.803 3.135 -3.987 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.448 2.446 -6.566 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.811 0.869 -4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.667 1.371 -5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.007 4.302 -5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.724 4.771 -5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.907 4.408 -4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.713 1.596 -3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.878 3.192 -4.240 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.040 2.682 -2.992 1.00 0.00 H new ATOM 316 N ILE A 39 -6.912 3.400 -5.272 1.00 0.00 N ATOM 317 CA ILE A 39 -8.119 3.713 -6.036 1.00 0.00 C ATOM 318 C ILE A 39 -8.153 5.153 -6.534 1.00 0.00 C ATOM 319 O ILE A 39 -7.411 6.010 -6.061 1.00 0.00 O ATOM 320 CB ILE A 39 -9.375 3.487 -5.167 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.239 2.205 -4.346 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.629 3.447 -6.023 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.757 2.455 -2.934 1.00 0.00 C ATOM 0 H ILE A 39 -6.935 3.730 -4.307 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.107 3.048 -6.899 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.465 4.327 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.204 1.699 -4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.544 1.531 -4.847 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.499 3.287 -5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.737 4.393 -6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.552 2.633 -6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.681 1.507 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.778 2.934 -2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.464 3.105 -2.418 1.00 0.00 H new ATOM 335 N ASP A 40 -9.061 5.406 -7.474 1.00 0.00 N ATOM 336 CA ASP A 40 -9.261 6.733 -8.029 1.00 0.00 C ATOM 337 C ASP A 40 -10.430 7.393 -7.309 1.00 0.00 C ATOM 338 O ASP A 40 -11.580 6.946 -7.437 1.00 0.00 O ATOM 339 CB ASP A 40 -9.548 6.660 -9.532 1.00 0.00 C ATOM 340 CG ASP A 40 -8.853 7.760 -10.309 1.00 0.00 C ATOM 341 OD1 ASP A 40 -9.051 8.945 -9.965 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.110 7.438 -11.260 1.00 0.00 O ATOM 0 H ASP A 40 -9.676 4.694 -7.869 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.353 7.320 -7.889 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.226 5.691 -9.914 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.623 6.727 -9.697 1.00 0.00 H new ATOM 347 N ASP A 41 -10.113 8.433 -6.538 1.00 0.00 N ATOM 348 CA ASP A 41 -11.104 9.170 -5.749 1.00 0.00 C ATOM 349 C ASP A 41 -11.693 10.352 -6.518 1.00 0.00 C ATOM 350 O ASP A 41 -12.178 11.315 -5.924 1.00 0.00 O ATOM 351 CB ASP A 41 -10.484 9.663 -4.440 1.00 0.00 C ATOM 352 CG ASP A 41 -9.367 10.663 -4.665 1.00 0.00 C ATOM 353 OD1 ASP A 41 -9.615 11.691 -5.329 1.00 0.00 O ATOM 354 OD2 ASP A 41 -8.245 10.418 -4.175 1.00 0.00 O ATOM 0 H ASP A 41 -9.162 8.790 -6.442 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.917 8.477 -5.532 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.259 10.121 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.097 8.811 -3.882 1.00 0.00 H new ATOM 359 N GLU A 42 -11.700 10.239 -7.834 1.00 0.00 N ATOM 360 CA GLU A 42 -12.289 11.253 -8.703 1.00 0.00 C ATOM 361 C GLU A 42 -13.527 10.611 -9.280 1.00 0.00 C ATOM 362 O GLU A 42 -14.636 11.143 -9.228 1.00 0.00 O ATOM 363 CB GLU A 42 -11.314 11.665 -9.810 1.00 0.00 C ATOM 364 CG GLU A 42 -11.943 12.534 -10.886 1.00 0.00 C ATOM 365 CD GLU A 42 -10.921 13.364 -11.638 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.571 14.458 -11.149 1.00 0.00 O ATOM 367 OE2 GLU A 42 -10.471 12.919 -12.714 1.00 0.00 O ATOM 0 H GLU A 42 -11.300 9.445 -8.334 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.525 12.166 -8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.478 12.203 -9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.904 10.768 -10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.480 11.900 -11.591 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.678 13.197 -10.429 1.00 0.00 H new ATOM 374 N LYS A 43 -13.299 9.393 -9.729 1.00 0.00 N ATOM 375 CA LYS A 43 -14.320 8.515 -10.225 1.00 0.00 C ATOM 376 C LYS A 43 -14.024 7.177 -9.580 1.00 0.00 C ATOM 377 O LYS A 43 -12.939 6.633 -9.775 1.00 0.00 O ATOM 378 CB LYS A 43 -14.263 8.407 -11.750 1.00 0.00 C ATOM 379 CG LYS A 43 -15.122 9.435 -12.467 1.00 0.00 C ATOM 380 CD LYS A 43 -14.370 10.738 -12.683 1.00 0.00 C ATOM 381 CE LYS A 43 -14.832 11.446 -13.946 1.00 0.00 C ATOM 382 NZ LYS A 43 -13.794 12.372 -14.476 1.00 0.00 N ATOM 0 H LYS A 43 -12.366 8.982 -9.756 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.320 8.877 -9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.229 8.520 -12.075 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.583 7.408 -12.047 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.442 9.035 -13.429 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.024 9.626 -11.885 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.518 11.392 -11.823 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.301 10.536 -12.749 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.080 10.706 -14.707 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.744 12.005 -13.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.149 12.835 -15.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.575 13.094 -13.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.932 11.835 -14.701 1.00 0.00 H new ATOM 396 N GLY A 44 -14.950 6.668 -8.780 1.00 0.00 N ATOM 397 CA GLY A 44 -14.710 5.412 -8.091 1.00 0.00 C ATOM 398 C GLY A 44 -14.083 4.372 -8.993 1.00 0.00 C ATOM 399 O GLY A 44 -14.788 3.633 -9.679 1.00 0.00 O ATOM 0 H GLY A 44 -15.857 7.097 -8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.058 5.588 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.653 5.029 -7.699 1.00 0.00 H new ATOM 403 N VAL A 45 -12.751 4.340 -9.026 1.00 0.00 N ATOM 404 CA VAL A 45 -12.056 3.400 -9.902 1.00 0.00 C ATOM 405 C VAL A 45 -10.810 2.794 -9.261 1.00 0.00 C ATOM 406 O VAL A 45 -9.813 3.480 -9.070 1.00 0.00 O ATOM 407 CB VAL A 45 -11.634 4.110 -11.204 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.802 3.189 -12.088 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.854 4.616 -11.959 1.00 0.00 C ATOM 0 H VAL A 45 -12.143 4.941 -8.469 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.759 2.591 -10.102 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.015 4.965 -10.933 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.519 3.717 -12.999 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.904 2.884 -11.552 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.387 2.307 -12.347 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.535 5.114 -12.875 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.501 3.776 -12.210 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.402 5.322 -11.334 1.00 0.00 H new ATOM 419 N THR A 46 -10.847 1.492 -8.985 1.00 0.00 N ATOM 420 CA THR A 46 -9.685 0.810 -8.422 1.00 0.00 C ATOM 421 C THR A 46 -8.665 0.584 -9.531 1.00 0.00 C ATOM 422 O THR A 46 -8.985 -0.010 -10.561 1.00 0.00 O ATOM 423 CB THR A 46 -10.084 -0.524 -7.784 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.300 -0.394 -7.070 1.00 0.00 O ATOM 425 CG2 THR A 46 -9.042 -1.066 -6.824 1.00 0.00 C ATOM 0 H THR A 46 -11.659 0.894 -9.140 1.00 0.00 H new ATOM 0 HA THR A 46 -9.250 1.431 -7.639 1.00 0.00 H new ATOM 0 HB THR A 46 -10.186 -1.222 -8.615 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.539 -1.257 -6.671 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.388 -2.012 -6.408 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.104 -1.225 -7.357 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.884 -0.351 -6.017 1.00 0.00 H new ATOM 433 N LEU A 47 -7.451 1.085 -9.341 1.00 0.00 N ATOM 434 CA LEU A 47 -6.418 0.954 -10.361 1.00 0.00 C ATOM 435 C LEU A 47 -5.389 -0.109 -10.011 1.00 0.00 C ATOM 436 O LEU A 47 -5.217 -1.080 -10.748 1.00 0.00 O ATOM 437 CB LEU A 47 -5.721 2.293 -10.580 1.00 0.00 C ATOM 438 CG LEU A 47 -6.653 3.492 -10.652 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.968 4.019 -9.261 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.044 4.580 -11.519 1.00 0.00 C ATOM 0 H LEU A 47 -7.159 1.581 -8.499 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.914 0.640 -11.279 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.008 2.452 -9.771 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.147 2.241 -11.505 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.591 3.173 -11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.636 4.876 -9.340 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.450 3.236 -8.676 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.044 4.323 -8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.722 5.433 -11.562 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.091 4.895 -11.093 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.881 4.195 -12.526 1.00 0.00 H new ATOM 452 N VAL A 48 -4.682 0.086 -8.905 1.00 0.00 N ATOM 453 CA VAL A 48 -3.652 -0.855 -8.502 1.00 0.00 C ATOM 454 C VAL A 48 -3.931 -1.451 -7.126 1.00 0.00 C ATOM 455 O VAL A 48 -4.450 -0.781 -6.234 1.00 0.00 O ATOM 456 CB VAL A 48 -2.267 -0.173 -8.518 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.335 -0.771 -7.475 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.658 -0.264 -9.909 1.00 0.00 C ATOM 0 H VAL A 48 -4.803 0.881 -8.278 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.658 -1.674 -9.222 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.403 0.878 -8.262 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.370 -0.265 -7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.769 -0.643 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.197 -1.833 -7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.681 0.220 -9.911 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.545 -1.311 -10.189 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.311 0.234 -10.625 1.00 0.00 H new ATOM 468 N SER A 49 -3.566 -2.718 -6.971 1.00 0.00 N ATOM 469 CA SER A 49 -3.751 -3.429 -5.715 1.00 0.00 C ATOM 470 C SER A 49 -2.672 -4.492 -5.549 1.00 0.00 C ATOM 471 O SER A 49 -2.591 -5.439 -6.332 1.00 0.00 O ATOM 472 CB SER A 49 -5.139 -4.064 -5.663 1.00 0.00 C ATOM 473 OG SER A 49 -5.274 -5.083 -6.639 1.00 0.00 O ATOM 0 H SER A 49 -3.136 -3.277 -7.708 1.00 0.00 H new ATOM 0 HA SER A 49 -3.667 -2.717 -4.894 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.314 -4.481 -4.671 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.898 -3.299 -5.825 1.00 0.00 H new ATOM 0 HG SER A 49 -4.396 -5.479 -6.822 1.00 0.00 H new ATOM 479 N ALA A 50 -1.842 -4.323 -4.530 1.00 0.00 N ATOM 480 CA ALA A 50 -0.756 -5.266 -4.262 1.00 0.00 C ATOM 481 C ALA A 50 -0.806 -5.770 -2.827 1.00 0.00 C ATOM 482 O ALA A 50 -1.282 -5.073 -1.931 1.00 0.00 O ATOM 483 CB ALA A 50 0.597 -4.624 -4.550 1.00 0.00 C ATOM 0 H ALA A 50 -1.896 -3.544 -3.874 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.886 -6.120 -4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.391 -5.342 -4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.642 -4.323 -5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.726 -3.748 -3.915 1.00 0.00 H new ATOM 489 N SER A 51 -0.317 -6.987 -2.614 1.00 0.00 N ATOM 490 CA SER A 51 -0.316 -7.577 -1.283 1.00 0.00 C ATOM 491 C SER A 51 0.843 -8.548 -1.093 1.00 0.00 C ATOM 492 O SER A 51 1.115 -9.387 -1.952 1.00 0.00 O ATOM 493 CB SER A 51 -1.639 -8.295 -1.033 1.00 0.00 C ATOM 494 OG SER A 51 -1.533 -9.201 0.052 1.00 0.00 O ATOM 0 H SER A 51 0.081 -7.580 -3.342 1.00 0.00 H new ATOM 0 HA SER A 51 -0.193 -6.768 -0.563 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.419 -7.563 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.939 -8.833 -1.932 1.00 0.00 H new ATOM 0 HG SER A 51 -2.427 -9.402 0.399 1.00 0.00 H new ATOM 500 N SER A 52 1.513 -8.435 0.050 1.00 0.00 N ATOM 501 CA SER A 52 2.638 -9.309 0.375 1.00 0.00 C ATOM 502 C SER A 52 2.249 -10.781 0.231 1.00 0.00 C ATOM 503 O SER A 52 3.101 -11.633 -0.018 1.00 0.00 O ATOM 504 CB SER A 52 3.125 -9.035 1.799 1.00 0.00 C ATOM 505 OG SER A 52 4.440 -9.526 1.992 1.00 0.00 O ATOM 0 H SER A 52 1.296 -7.745 0.769 1.00 0.00 H new ATOM 0 HA SER A 52 3.445 -9.097 -0.327 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.101 -7.963 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.450 -9.504 2.514 1.00 0.00 H new ATOM 0 HG SER A 52 5.068 -8.774 2.028 1.00 0.00 H new ATOM 511 N LEU A 53 0.958 -11.074 0.386 1.00 0.00 N ATOM 512 CA LEU A 53 0.467 -12.445 0.268 1.00 0.00 C ATOM 513 C LEU A 53 0.841 -13.038 -1.088 1.00 0.00 C ATOM 514 O LEU A 53 1.594 -14.009 -1.161 1.00 0.00 O ATOM 515 CB LEU A 53 -1.050 -12.498 0.470 1.00 0.00 C ATOM 516 CG LEU A 53 -1.613 -13.891 0.760 1.00 0.00 C ATOM 517 CD1 LEU A 53 -1.508 -14.777 -0.472 1.00 0.00 C ATOM 518 CD2 LEU A 53 -0.886 -14.524 1.937 1.00 0.00 C ATOM 0 H LEU A 53 0.237 -10.383 0.593 1.00 0.00 H new ATOM 0 HA LEU A 53 0.940 -13.040 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.315 -11.836 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.535 -12.105 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.667 -13.789 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.913 -15.763 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.073 -14.331 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.462 -14.872 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.299 -15.514 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.175 -14.612 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.013 -13.900 2.821 1.00 0.00 H new ATOM 530 N ALA A 54 0.330 -12.439 -2.163 1.00 0.00 N ATOM 531 CA ALA A 54 0.642 -12.907 -3.511 1.00 0.00 C ATOM 532 C ALA A 54 2.151 -12.910 -3.724 1.00 0.00 C ATOM 533 O ALA A 54 2.684 -13.673 -4.530 1.00 0.00 O ATOM 534 CB ALA A 54 -0.039 -12.028 -4.550 1.00 0.00 C ATOM 0 H ALA A 54 -0.297 -11.635 -2.127 1.00 0.00 H new ATOM 0 HA ALA A 54 0.268 -13.925 -3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.204 -12.391 -5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.119 -12.062 -4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.309 -11.001 -4.442 1.00 0.00 H new ATOM 540 N LEU A 55 2.825 -12.049 -2.972 1.00 0.00 N ATOM 541 CA LEU A 55 4.272 -11.919 -3.024 1.00 0.00 C ATOM 542 C LEU A 55 4.939 -12.857 -2.021 1.00 0.00 C ATOM 543 O LEU A 55 6.126 -12.710 -1.735 1.00 0.00 O ATOM 544 CB LEU A 55 4.680 -10.478 -2.736 1.00 0.00 C ATOM 545 CG LEU A 55 4.760 -9.583 -3.966 1.00 0.00 C ATOM 546 CD1 LEU A 55 3.401 -8.976 -4.277 1.00 0.00 C ATOM 547 CD2 LEU A 55 5.796 -8.498 -3.751 1.00 0.00 C ATOM 0 H LEU A 55 2.379 -11.419 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 55 4.603 -12.193 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.967 -10.046 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.651 -10.481 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 55 5.061 -10.188 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.480 -8.340 -5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.682 -9.773 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.066 -8.380 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.847 -7.863 -4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.518 -7.895 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.770 -8.955 -3.576 1.00 0.00 H new ATOM 559 N LYS A 56 4.149 -13.796 -1.474 1.00 0.00 N ATOM 560 CA LYS A 56 4.608 -14.757 -0.459 1.00 0.00 C ATOM 561 C LYS A 56 6.057 -14.526 -0.038 1.00 0.00 C ATOM 562 O LYS A 56 6.927 -15.379 -0.219 1.00 0.00 O ATOM 563 CB LYS A 56 4.438 -16.187 -0.982 1.00 0.00 C ATOM 564 CG LYS A 56 3.220 -16.900 -0.417 1.00 0.00 C ATOM 565 CD LYS A 56 3.464 -17.375 1.006 1.00 0.00 C ATOM 566 CE LYS A 56 4.131 -18.741 1.033 1.00 0.00 C ATOM 567 NZ LYS A 56 3.497 -19.649 2.029 1.00 0.00 N ATOM 0 H LYS A 56 3.167 -13.910 -1.726 1.00 0.00 H new ATOM 0 HA LYS A 56 3.991 -14.606 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.362 -16.161 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.331 -16.763 -0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.362 -16.228 -0.435 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.970 -17.753 -1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.091 -16.653 1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.516 -17.421 1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.074 -19.192 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.189 -18.624 1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.980 -20.570 2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.573 -19.231 2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.494 -19.781 1.789 1.00 0.00 H new ATOM 581 N LEU A 57 6.288 -13.351 0.540 1.00 0.00 N ATOM 582 CA LEU A 57 7.606 -12.953 1.021 1.00 0.00 C ATOM 583 C LEU A 57 8.261 -14.068 1.833 1.00 0.00 C ATOM 584 O LEU A 57 7.629 -15.078 2.142 1.00 0.00 O ATOM 585 CB LEU A 57 7.479 -11.690 1.880 1.00 0.00 C ATOM 586 CG LEU A 57 6.725 -11.873 3.203 1.00 0.00 C ATOM 587 CD1 LEU A 57 6.766 -10.594 4.023 1.00 0.00 C ATOM 588 CD2 LEU A 57 5.284 -12.289 2.951 1.00 0.00 C ATOM 0 H LEU A 57 5.565 -12.647 0.688 1.00 0.00 H new ATOM 0 HA LEU A 57 8.238 -12.750 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.479 -11.317 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.973 -10.922 1.295 1.00 0.00 H new ATOM 0 HG LEU A 57 7.219 -12.665 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.226 -10.744 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.802 -10.334 4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.300 -9.786 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.769 -12.413 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.781 -11.521 2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.268 -13.232 2.405 1.00 0.00 H new ATOM 600 N LYS A 58 9.531 -13.875 2.176 1.00 0.00 N ATOM 601 CA LYS A 58 10.272 -14.862 2.953 1.00 0.00 C ATOM 602 C LYS A 58 10.747 -14.269 4.276 1.00 0.00 C ATOM 603 O LYS A 58 11.807 -14.633 4.786 1.00 0.00 O ATOM 604 CB LYS A 58 11.469 -15.378 2.150 1.00 0.00 C ATOM 605 CG LYS A 58 11.602 -16.892 2.162 1.00 0.00 C ATOM 606 CD LYS A 58 12.278 -17.383 3.432 1.00 0.00 C ATOM 607 CE LYS A 58 13.787 -17.218 3.360 1.00 0.00 C ATOM 608 NZ LYS A 58 14.436 -18.345 2.635 1.00 0.00 N ATOM 0 H LYS A 58 10.068 -13.044 1.928 1.00 0.00 H new ATOM 0 HA LYS A 58 9.603 -15.695 3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.378 -15.038 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.382 -14.938 2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.615 -17.345 2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.178 -17.214 1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.891 -16.830 4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.033 -18.433 3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.026 -16.279 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.194 -17.154 4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.465 -18.194 2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.230 -19.238 3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.067 -18.391 1.664 1.00 0.00 H new ATOM 622 N GLY A 59 9.957 -13.352 4.827 1.00 0.00 N ATOM 623 CA GLY A 59 10.315 -12.724 6.085 1.00 0.00 C ATOM 624 C GLY A 59 9.214 -12.830 7.121 1.00 0.00 C ATOM 625 O GLY A 59 8.377 -13.731 7.058 1.00 0.00 O ATOM 0 H GLY A 59 9.076 -13.033 4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.221 -13.188 6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.545 -11.673 5.910 1.00 0.00 H new ATOM 629 N ASN A 60 9.214 -11.909 8.079 1.00 0.00 N ATOM 630 CA ASN A 60 8.208 -11.903 9.135 1.00 0.00 C ATOM 631 C ASN A 60 6.877 -11.370 8.615 1.00 0.00 C ATOM 632 O ASN A 60 5.917 -12.124 8.451 1.00 0.00 O ATOM 633 CB ASN A 60 8.686 -11.057 10.318 1.00 0.00 C ATOM 634 CG ASN A 60 8.507 -11.767 11.645 1.00 0.00 C ATOM 635 OD1 ASN A 60 9.334 -12.589 12.039 1.00 0.00 O ATOM 636 ND2 ASN A 60 7.421 -11.452 12.343 1.00 0.00 N ATOM 0 H ASN A 60 9.900 -11.157 8.146 1.00 0.00 H new ATOM 0 HA ASN A 60 8.060 -12.930 9.469 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.738 -10.808 10.181 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.135 -10.117 10.335 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.247 -11.898 13.244 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.762 -10.765 11.978 1.00 0.00 H new ATOM 643 N LYS A 61 6.826 -10.068 8.356 1.00 0.00 N ATOM 644 CA LYS A 61 5.612 -9.436 7.854 1.00 0.00 C ATOM 645 C LYS A 61 5.850 -7.961 7.547 1.00 0.00 C ATOM 646 O LYS A 61 5.375 -7.442 6.537 1.00 0.00 O ATOM 647 CB LYS A 61 4.478 -9.581 8.871 1.00 0.00 C ATOM 648 CG LYS A 61 4.868 -9.175 10.283 1.00 0.00 C ATOM 649 CD LYS A 61 3.655 -9.101 11.198 1.00 0.00 C ATOM 650 CE LYS A 61 3.899 -9.831 12.509 1.00 0.00 C ATOM 651 NZ LYS A 61 2.660 -10.474 13.028 1.00 0.00 N ATOM 0 H LYS A 61 7.611 -9.430 8.485 1.00 0.00 H new ATOM 0 HA LYS A 61 5.328 -9.938 6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.632 -8.974 8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.141 -10.617 8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.584 -9.892 10.684 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.367 -8.206 10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.415 -8.057 11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.791 -9.535 10.694 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.668 -10.590 12.364 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.281 -9.128 13.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.870 -10.961 13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.934 -9.747 13.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.309 -11.164 12.333 1.00 0.00 H new ATOM 665 N THR A 62 6.590 -7.292 8.424 1.00 0.00 N ATOM 666 CA THR A 62 6.893 -5.875 8.248 1.00 0.00 C ATOM 667 C THR A 62 8.221 -5.677 7.518 1.00 0.00 C ATOM 668 O THR A 62 8.557 -4.562 7.118 1.00 0.00 O ATOM 669 CB THR A 62 6.939 -5.172 9.606 1.00 0.00 C ATOM 670 OG1 THR A 62 7.695 -5.927 10.536 1.00 0.00 O ATOM 671 CG2 THR A 62 5.569 -4.942 10.208 1.00 0.00 C ATOM 0 H THR A 62 6.992 -7.708 9.264 1.00 0.00 H new ATOM 0 HA THR A 62 6.101 -5.438 7.640 1.00 0.00 H new ATOM 0 HB THR A 62 7.401 -4.204 9.414 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.714 -5.460 11.398 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.674 -4.440 11.170 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.976 -4.320 9.537 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.069 -5.900 10.351 1.00 0.00 H new ATOM 679 N GLU A 63 8.977 -6.760 7.352 1.00 0.00 N ATOM 680 CA GLU A 63 10.268 -6.694 6.677 1.00 0.00 C ATOM 681 C GLU A 63 10.102 -6.385 5.192 1.00 0.00 C ATOM 682 O GLU A 63 10.852 -5.588 4.629 1.00 0.00 O ATOM 683 CB GLU A 63 11.024 -8.012 6.853 1.00 0.00 C ATOM 684 CG GLU A 63 11.183 -8.433 8.305 1.00 0.00 C ATOM 685 CD GLU A 63 12.254 -7.640 9.028 1.00 0.00 C ATOM 686 OE1 GLU A 63 13.298 -7.350 8.408 1.00 0.00 O ATOM 687 OE2 GLU A 63 12.047 -7.309 10.215 1.00 0.00 O ATOM 0 H GLU A 63 8.717 -7.692 7.676 1.00 0.00 H new ATOM 0 HA GLU A 63 10.842 -5.886 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.498 -8.798 6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.011 -7.918 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.232 -8.307 8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.431 -9.494 8.347 1.00 0.00 H new ATOM 694 N VAL A 64 9.121 -7.023 4.559 1.00 0.00 N ATOM 695 CA VAL A 64 8.872 -6.813 3.138 1.00 0.00 C ATOM 696 C VAL A 64 7.814 -5.741 2.903 1.00 0.00 C ATOM 697 O VAL A 64 7.721 -5.202 1.805 1.00 0.00 O ATOM 698 CB VAL A 64 8.429 -8.117 2.438 1.00 0.00 C ATOM 699 CG1 VAL A 64 7.948 -7.844 1.014 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.567 -9.126 2.435 1.00 0.00 C ATOM 0 H VAL A 64 8.489 -7.687 5.006 1.00 0.00 H new ATOM 0 HA VAL A 64 9.817 -6.481 2.709 1.00 0.00 H new ATOM 0 HB VAL A 64 7.592 -8.535 2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.643 -8.781 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.100 -7.159 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.757 -7.397 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.241 -10.040 1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.422 -8.709 1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.855 -9.353 3.462 1.00 0.00 H new ATOM 710 N ALA A 65 7.012 -5.439 3.925 1.00 0.00 N ATOM 711 CA ALA A 65 5.956 -4.433 3.799 1.00 0.00 C ATOM 712 C ALA A 65 6.385 -3.285 2.891 1.00 0.00 C ATOM 713 O ALA A 65 5.606 -2.792 2.083 1.00 0.00 O ATOM 714 CB ALA A 65 5.558 -3.904 5.161 1.00 0.00 C ATOM 0 H ALA A 65 7.073 -5.874 4.845 1.00 0.00 H new ATOM 0 HA ALA A 65 5.092 -4.917 3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.772 -3.158 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.191 -4.725 5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.424 -3.448 5.642 1.00 0.00 H new ATOM 720 N ARG A 66 7.640 -2.885 3.008 1.00 0.00 N ATOM 721 CA ARG A 66 8.169 -1.823 2.170 1.00 0.00 C ATOM 722 C ARG A 66 8.216 -2.297 0.744 1.00 0.00 C ATOM 723 O ARG A 66 7.571 -1.738 -0.138 1.00 0.00 O ATOM 724 CB ARG A 66 9.562 -1.434 2.617 1.00 0.00 C ATOM 725 CG ARG A 66 9.734 0.059 2.713 1.00 0.00 C ATOM 726 CD ARG A 66 10.916 0.534 1.905 1.00 0.00 C ATOM 727 NE ARG A 66 12.167 -0.080 2.348 1.00 0.00 N ATOM 728 CZ ARG A 66 13.354 0.525 2.305 1.00 0.00 C ATOM 729 NH1 ARG A 66 13.466 1.759 1.828 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.434 -0.109 2.739 1.00 0.00 N ATOM 0 H ARG A 66 8.308 -3.277 3.671 1.00 0.00 H new ATOM 0 HA ARG A 66 7.520 -0.951 2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.769 -1.885 3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.292 -1.838 1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.829 0.554 2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.867 0.344 3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.752 0.303 0.853 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.997 1.618 1.984 1.00 0.00 H new ATOM 0 HE ARG A 66 12.129 -1.032 2.713 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.639 2.252 1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.379 2.214 1.799 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.356 -1.058 3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.343 0.352 2.707 1.00 0.00 H new ATOM 744 N GLN A 67 8.967 -3.358 0.536 1.00 0.00 N ATOM 745 CA GLN A 67 9.079 -3.955 -0.779 1.00 0.00 C ATOM 746 C GLN A 67 7.683 -4.165 -1.358 1.00 0.00 C ATOM 747 O GLN A 67 7.489 -4.142 -2.576 1.00 0.00 O ATOM 748 CB GLN A 67 9.832 -5.284 -0.704 1.00 0.00 C ATOM 749 CG GLN A 67 11.335 -5.143 -0.878 1.00 0.00 C ATOM 750 CD GLN A 67 12.070 -6.453 -0.675 1.00 0.00 C ATOM 751 OE1 GLN A 67 12.851 -6.879 -1.527 1.00 0.00 O ATOM 752 NE2 GLN A 67 11.824 -7.100 0.458 1.00 0.00 N ATOM 0 H GLN A 67 9.510 -3.826 1.262 1.00 0.00 H new ATOM 0 HA GLN A 67 9.642 -3.285 -1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.629 -5.753 0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.447 -5.954 -1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.547 -4.762 -1.877 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.712 -4.406 -0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.169 -6.710 1.136 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.290 -7.987 0.650 1.00 0.00 H new ATOM 761 N VAL A 68 6.695 -4.333 -0.475 1.00 0.00 N ATOM 762 CA VAL A 68 5.327 -4.506 -0.936 1.00 0.00 C ATOM 763 C VAL A 68 4.781 -3.165 -1.398 1.00 0.00 C ATOM 764 O VAL A 68 4.010 -3.088 -2.355 1.00 0.00 O ATOM 765 CB VAL A 68 4.386 -5.153 0.120 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.683 -4.129 1.011 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.353 -6.005 -0.591 1.00 0.00 C ATOM 0 H VAL A 68 6.817 -4.352 0.537 1.00 0.00 H new ATOM 0 HA VAL A 68 5.355 -5.210 -1.768 1.00 0.00 H new ATOM 0 HB VAL A 68 5.009 -5.761 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.042 -4.647 1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.428 -3.544 1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.077 -3.465 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.690 -6.462 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.770 -5.381 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.856 -6.786 -1.161 1.00 0.00 H new ATOM 777 N GLY A 69 5.224 -2.102 -0.726 1.00 0.00 N ATOM 778 CA GLY A 69 4.806 -0.771 -1.097 1.00 0.00 C ATOM 779 C GLY A 69 5.540 -0.310 -2.326 1.00 0.00 C ATOM 780 O GLY A 69 5.033 0.501 -3.082 1.00 0.00 O ATOM 0 H GLY A 69 5.864 -2.146 0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.732 -0.760 -1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.995 -0.082 -0.274 1.00 0.00 H new ATOM 784 N ARG A 70 6.744 -0.840 -2.528 1.00 0.00 N ATOM 785 CA ARG A 70 7.535 -0.489 -3.694 1.00 0.00 C ATOM 786 C ARG A 70 6.869 -1.084 -4.918 1.00 0.00 C ATOM 787 O ARG A 70 6.871 -0.486 -5.988 1.00 0.00 O ATOM 788 CB ARG A 70 8.982 -0.973 -3.541 1.00 0.00 C ATOM 789 CG ARG A 70 9.202 -2.424 -3.934 1.00 0.00 C ATOM 790 CD ARG A 70 9.872 -2.529 -5.290 1.00 0.00 C ATOM 791 NE ARG A 70 10.259 -3.902 -5.611 1.00 0.00 N ATOM 792 CZ ARG A 70 9.508 -4.744 -6.319 1.00 0.00 C ATOM 793 NH1 ARG A 70 8.319 -4.368 -6.774 1.00 0.00 N ATOM 794 NH2 ARG A 70 9.948 -5.970 -6.571 1.00 0.00 N ATOM 0 H ARG A 70 7.187 -1.510 -1.900 1.00 0.00 H new ATOM 0 HA ARG A 70 7.581 0.595 -3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.630 -0.342 -4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.290 -0.839 -2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.817 -2.918 -3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.246 -2.946 -3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.194 -2.156 -6.058 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.756 -1.891 -5.307 1.00 0.00 H new ATOM 0 HE ARG A 70 11.161 -4.236 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.974 -3.428 -6.582 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.751 -5.019 -7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.860 -6.266 -6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.374 -6.616 -7.113 1.00 0.00 H new ATOM 808 N ALA A 71 6.253 -2.249 -4.733 1.00 0.00 N ATOM 809 CA ALA A 71 5.528 -2.893 -5.811 1.00 0.00 C ATOM 810 C ALA A 71 4.193 -2.187 -5.995 1.00 0.00 C ATOM 811 O ALA A 71 3.723 -2.001 -7.114 1.00 0.00 O ATOM 812 CB ALA A 71 5.317 -4.365 -5.517 1.00 0.00 C ATOM 0 H ALA A 71 6.244 -2.759 -3.850 1.00 0.00 H new ATOM 0 HA ALA A 71 6.110 -2.822 -6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.771 -4.826 -6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.284 -4.855 -5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.744 -4.474 -4.596 1.00 0.00 H new ATOM 818 N LEU A 72 3.605 -1.762 -4.876 1.00 0.00 N ATOM 819 CA LEU A 72 2.342 -1.037 -4.900 1.00 0.00 C ATOM 820 C LEU A 72 2.554 0.297 -5.592 1.00 0.00 C ATOM 821 O LEU A 72 1.771 0.714 -6.444 1.00 0.00 O ATOM 822 CB LEU A 72 1.837 -0.788 -3.475 1.00 0.00 C ATOM 823 CG LEU A 72 1.221 -1.997 -2.773 1.00 0.00 C ATOM 824 CD1 LEU A 72 1.497 -1.950 -1.278 1.00 0.00 C ATOM 825 CD2 LEU A 72 -0.275 -2.053 -3.033 1.00 0.00 C ATOM 0 H LEU A 72 3.987 -1.910 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 72 1.602 -1.631 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.669 -0.425 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.094 0.009 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 72 1.680 -2.899 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.049 -2.820 -0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.573 -1.954 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.066 -1.042 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.700 -2.920 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.744 -1.145 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.455 -2.135 -4.105 1.00 0.00 H new ATOM 837 N ALA A 73 3.639 0.952 -5.203 1.00 0.00 N ATOM 838 CA ALA A 73 4.008 2.241 -5.756 1.00 0.00 C ATOM 839 C ALA A 73 4.529 2.092 -7.161 1.00 0.00 C ATOM 840 O ALA A 73 4.307 2.956 -8.000 1.00 0.00 O ATOM 841 CB ALA A 73 5.041 2.932 -4.876 1.00 0.00 C ATOM 0 H ALA A 73 4.286 0.602 -4.496 1.00 0.00 H new ATOM 0 HA ALA A 73 3.113 2.862 -5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.302 3.897 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.627 3.083 -3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.934 2.311 -4.807 1.00 0.00 H new ATOM 847 N GLU A 74 5.194 0.984 -7.424 1.00 0.00 N ATOM 848 CA GLU A 74 5.710 0.727 -8.749 1.00 0.00 C ATOM 849 C GLU A 74 4.537 0.422 -9.667 1.00 0.00 C ATOM 850 O GLU A 74 4.528 0.787 -10.842 1.00 0.00 O ATOM 851 CB GLU A 74 6.709 -0.423 -8.710 1.00 0.00 C ATOM 852 CG GLU A 74 8.126 0.024 -8.391 1.00 0.00 C ATOM 853 CD GLU A 74 9.085 -1.138 -8.231 1.00 0.00 C ATOM 854 OE1 GLU A 74 8.754 -2.249 -8.697 1.00 0.00 O ATOM 855 OE2 GLU A 74 10.166 -0.939 -7.640 1.00 0.00 O ATOM 0 H GLU A 74 5.388 0.252 -6.740 1.00 0.00 H new ATOM 0 HA GLU A 74 6.241 1.600 -9.129 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.388 -1.149 -7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.704 -0.933 -9.674 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.484 0.678 -9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.119 0.613 -7.474 1.00 0.00 H new ATOM 862 N LYS A 75 3.525 -0.210 -9.083 1.00 0.00 N ATOM 863 CA LYS A 75 2.300 -0.537 -9.780 1.00 0.00 C ATOM 864 C LYS A 75 1.530 0.735 -10.054 1.00 0.00 C ATOM 865 O LYS A 75 1.387 1.169 -11.197 1.00 0.00 O ATOM 866 CB LYS A 75 1.456 -1.456 -8.905 1.00 0.00 C ATOM 867 CG LYS A 75 1.790 -2.903 -9.104 1.00 0.00 C ATOM 868 CD LYS A 75 0.595 -3.802 -8.835 1.00 0.00 C ATOM 869 CE LYS A 75 0.683 -5.096 -9.626 1.00 0.00 C ATOM 870 NZ LYS A 75 -0.196 -6.156 -9.059 1.00 0.00 N ATOM 0 H LYS A 75 3.538 -0.509 -8.108 1.00 0.00 H new ATOM 0 HA LYS A 75 2.533 -1.036 -10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.605 -1.193 -7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.401 -1.296 -9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.139 -3.058 -10.125 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.610 -3.181 -8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.541 -4.028 -7.770 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.323 -3.276 -9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.402 -4.908 -10.662 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.715 -5.447 -9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.106 -7.022 -9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.088 -6.355 -8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.184 -5.832 -9.074 1.00 0.00 H new ATOM 884 N ALA A 76 1.053 1.333 -8.972 1.00 0.00 N ATOM 885 CA ALA A 76 0.301 2.586 -9.046 1.00 0.00 C ATOM 886 C ALA A 76 1.017 3.568 -9.960 1.00 0.00 C ATOM 887 O ALA A 76 0.401 4.267 -10.766 1.00 0.00 O ATOM 888 CB ALA A 76 0.134 3.203 -7.665 1.00 0.00 C ATOM 0 H ALA A 76 1.172 0.972 -8.026 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.687 2.366 -9.449 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.428 4.133 -7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.405 2.509 -7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.115 3.409 -7.237 1.00 0.00 H new ATOM 894 N LEU A 77 2.333 3.597 -9.829 1.00 0.00 N ATOM 895 CA LEU A 77 3.160 4.466 -10.641 1.00 0.00 C ATOM 896 C LEU A 77 2.958 4.184 -12.122 1.00 0.00 C ATOM 897 O LEU A 77 2.928 5.099 -12.944 1.00 0.00 O ATOM 898 CB LEU A 77 4.628 4.276 -10.280 1.00 0.00 C ATOM 899 CG LEU A 77 5.177 5.226 -9.218 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.622 4.875 -8.897 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.067 6.669 -9.688 1.00 0.00 C ATOM 0 H LEU A 77 2.851 3.024 -9.163 1.00 0.00 H new ATOM 0 HA LEU A 77 2.866 5.496 -10.442 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.768 3.252 -9.933 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.224 4.390 -11.186 1.00 0.00 H new ATOM 0 HG LEU A 77 4.584 5.117 -8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.003 5.559 -8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.673 3.853 -8.522 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.227 4.961 -9.800 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.463 7.333 -8.920 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.639 6.797 -10.607 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.021 6.912 -9.874 1.00 0.00 H new ATOM 913 N ALA A 78 2.820 2.908 -12.450 1.00 0.00 N ATOM 914 CA ALA A 78 2.618 2.487 -13.828 1.00 0.00 C ATOM 915 C ALA A 78 1.438 3.225 -14.457 1.00 0.00 C ATOM 916 O ALA A 78 1.372 3.386 -15.676 1.00 0.00 O ATOM 917 CB ALA A 78 2.419 0.987 -13.874 1.00 0.00 C ATOM 0 H ALA A 78 2.844 2.142 -11.776 1.00 0.00 H new ATOM 0 HA ALA A 78 3.503 2.739 -14.412 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.268 0.672 -14.906 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.300 0.490 -13.468 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.545 0.717 -13.280 1.00 0.00 H new ATOM 923 N LEU A 79 0.529 3.704 -13.611 1.00 0.00 N ATOM 924 CA LEU A 79 -0.623 4.462 -14.070 1.00 0.00 C ATOM 925 C LEU A 79 -0.254 5.937 -14.116 1.00 0.00 C ATOM 926 O LEU A 79 -0.820 6.719 -14.880 1.00 0.00 O ATOM 927 CB LEU A 79 -1.821 4.287 -13.123 1.00 0.00 C ATOM 928 CG LEU A 79 -1.807 3.062 -12.205 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.359 3.435 -10.838 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.617 1.928 -12.817 1.00 0.00 C ATOM 0 H LEU A 79 0.572 3.578 -12.600 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.903 4.096 -15.058 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.892 5.178 -12.499 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.728 4.248 -13.727 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.779 2.720 -12.088 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.347 2.559 -10.189 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.744 4.220 -10.399 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.383 3.793 -10.944 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.596 1.065 -12.151 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.648 2.252 -12.958 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.188 1.653 -13.780 1.00 0.00 H new ATOM 942 N GLY A 80 0.696 6.299 -13.262 1.00 0.00 N ATOM 943 CA GLY A 80 1.147 7.665 -13.161 1.00 0.00 C ATOM 944 C GLY A 80 0.700 8.294 -11.860 1.00 0.00 C ATOM 945 O GLY A 80 0.715 9.516 -11.711 1.00 0.00 O ATOM 0 H GLY A 80 1.167 5.653 -12.628 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.234 7.698 -13.229 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.758 8.242 -14.000 1.00 0.00 H new ATOM 949 N ILE A 81 0.299 7.448 -10.911 1.00 0.00 N ATOM 950 CA ILE A 81 -0.155 7.916 -9.614 1.00 0.00 C ATOM 951 C ILE A 81 1.015 8.424 -8.797 1.00 0.00 C ATOM 952 O ILE A 81 1.859 7.656 -8.335 1.00 0.00 O ATOM 953 CB ILE A 81 -0.927 6.806 -8.856 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.337 6.618 -9.447 1.00 0.00 C ATOM 955 CG2 ILE A 81 -1.024 7.120 -7.366 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.551 7.264 -10.803 1.00 0.00 C ATOM 0 H ILE A 81 0.282 6.434 -11.023 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.846 8.744 -9.773 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.369 5.878 -8.977 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.540 5.551 -9.533 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.066 7.026 -8.747 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.571 6.324 -6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.022 7.196 -6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.549 8.065 -7.227 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.572 7.078 -11.138 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.385 8.338 -10.724 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.851 6.840 -11.523 1.00 0.00 H new ATOM 968 N LYS A 82 1.061 9.737 -8.650 1.00 0.00 N ATOM 969 CA LYS A 82 2.112 10.391 -7.928 1.00 0.00 C ATOM 970 C LYS A 82 1.715 10.651 -6.480 1.00 0.00 C ATOM 971 O LYS A 82 2.428 10.270 -5.553 1.00 0.00 O ATOM 972 CB LYS A 82 2.434 11.701 -8.624 1.00 0.00 C ATOM 973 CG LYS A 82 3.688 12.317 -8.098 1.00 0.00 C ATOM 974 CD LYS A 82 4.426 13.109 -9.165 1.00 0.00 C ATOM 975 CE LYS A 82 5.681 13.762 -8.609 1.00 0.00 C ATOM 976 NZ LYS A 82 5.526 15.237 -8.473 1.00 0.00 N ATOM 0 H LYS A 82 0.362 10.373 -9.034 1.00 0.00 H new ATOM 0 HA LYS A 82 2.989 9.744 -7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.536 11.527 -9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.605 12.396 -8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.446 12.973 -7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.341 11.535 -7.711 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.694 12.448 -9.990 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.766 13.875 -9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.914 13.330 -7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.524 13.544 -9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.403 15.644 -8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.329 15.653 -9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.738 15.445 -7.827 1.00 0.00 H new ATOM 990 N GLN A 83 0.575 11.301 -6.297 1.00 0.00 N ATOM 991 CA GLN A 83 0.077 11.613 -4.964 1.00 0.00 C ATOM 992 C GLN A 83 -1.224 10.874 -4.697 1.00 0.00 C ATOM 993 O GLN A 83 -2.053 10.719 -5.593 1.00 0.00 O ATOM 994 CB GLN A 83 -0.136 13.121 -4.813 1.00 0.00 C ATOM 995 CG GLN A 83 0.686 13.732 -3.695 1.00 0.00 C ATOM 996 CD GLN A 83 -0.165 14.242 -2.549 1.00 0.00 C ATOM 997 OE1 GLN A 83 -1.207 14.863 -2.761 1.00 0.00 O ATOM 998 NE2 GLN A 83 0.278 13.982 -1.323 1.00 0.00 N ATOM 0 H GLN A 83 -0.024 11.624 -7.057 1.00 0.00 H new ATOM 0 HA GLN A 83 0.820 11.289 -4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.118 13.613 -5.752 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.192 13.315 -4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.387 12.987 -3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.279 14.554 -4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.147 13.464 -1.194 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.251 14.301 -0.511 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.403 10.415 -3.464 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.614 9.690 -3.107 1.00 0.00 C ATOM 1009 C VAL A 84 -3.273 10.265 -1.862 1.00 0.00 C ATOM 1010 O VAL A 84 -2.656 10.996 -1.087 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.361 8.183 -2.864 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.449 7.353 -3.514 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -1.001 7.748 -3.373 1.00 0.00 C ATOM 0 H VAL A 84 -0.733 10.530 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.275 9.805 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.379 8.020 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.256 6.295 -3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.416 7.623 -3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.459 7.542 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.865 6.684 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.936 7.936 -4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.223 8.311 -2.858 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.531 9.895 -1.674 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.307 10.324 -0.523 1.00 0.00 C ATOM 1025 C ALA A 85 -5.435 9.166 0.452 1.00 0.00 C ATOM 1026 O ALA A 85 -6.264 8.277 0.261 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.684 10.804 -0.959 1.00 0.00 C ATOM 0 H ALA A 85 -5.042 9.289 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.798 11.155 -0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.252 11.122 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.576 11.643 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.211 9.991 -1.459 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.600 9.157 1.482 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.629 8.073 2.448 1.00 0.00 C ATOM 1035 C PHE A 86 -5.733 8.261 3.474 1.00 0.00 C ATOM 1036 O PHE A 86 -5.704 9.185 4.287 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.284 7.923 3.151 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.953 6.493 3.451 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.443 5.664 2.464 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -3.171 5.973 4.716 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -2.156 4.340 2.738 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.883 4.653 4.995 1.00 0.00 C ATOM 1043 CZ PHE A 86 -2.377 3.835 4.006 1.00 0.00 C ATOM 0 H PHE A 86 -3.904 9.879 1.667 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.836 7.160 1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.500 8.351 2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.297 8.493 4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.268 6.056 1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.571 6.608 5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.760 3.701 1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.053 4.260 5.987 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.154 2.801 4.222 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.701 7.359 3.423 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.832 7.379 4.333 1.00 0.00 C ATOM 1055 C ASP A 87 -8.332 5.962 4.559 1.00 0.00 C ATOM 1056 O ASP A 87 -9.530 5.733 4.729 1.00 0.00 O ATOM 1057 CB ASP A 87 -8.952 8.250 3.766 1.00 0.00 C ATOM 1058 CG ASP A 87 -9.232 9.468 4.625 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -8.286 9.968 5.270 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -10.395 9.921 4.653 1.00 0.00 O ATOM 0 H ASP A 87 -6.723 6.593 2.749 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.514 7.801 5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.683 8.573 2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.861 7.655 3.677 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.401 5.009 4.551 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.738 3.606 4.745 1.00 0.00 C ATOM 1067 C ARG A 88 -8.750 3.443 5.877 1.00 0.00 C ATOM 1068 O ARG A 88 -9.687 2.650 5.780 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.468 2.780 5.023 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.994 2.803 6.463 1.00 0.00 C ATOM 1071 CD ARG A 88 -6.809 1.847 7.310 1.00 0.00 C ATOM 1072 NE ARG A 88 -6.578 0.447 6.975 1.00 0.00 N ATOM 1073 CZ ARG A 88 -7.525 -0.491 7.032 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -8.762 -0.183 7.407 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -7.233 -1.741 6.719 1.00 0.00 N ATOM 0 H ARG A 88 -6.406 5.187 4.412 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.195 3.233 3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.654 1.746 4.734 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.665 3.150 4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.940 2.529 6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.078 3.814 6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.569 2.007 8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -7.868 2.074 7.187 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.641 0.170 6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -8.995 0.779 7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -9.478 -0.908 7.447 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.285 -1.987 6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.956 -2.460 6.762 1.00 0.00 H new ATOM 1089 N GLY A 89 -8.543 4.197 6.954 1.00 0.00 N ATOM 1090 CA GLY A 89 -9.432 4.123 8.098 1.00 0.00 C ATOM 1091 C GLY A 89 -8.758 4.575 9.382 1.00 0.00 C ATOM 1092 O GLY A 89 -8.057 5.587 9.391 1.00 0.00 O ATOM 0 H GLY A 89 -7.773 4.859 7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.310 4.742 7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.784 3.098 8.216 1.00 0.00 H new ATOM 1096 N PRO A 90 -8.959 3.847 10.496 1.00 0.00 N ATOM 1097 CA PRO A 90 -8.374 4.185 11.785 1.00 0.00 C ATOM 1098 C PRO A 90 -7.076 3.432 12.059 1.00 0.00 C ATOM 1099 O PRO A 90 -6.815 3.021 13.190 1.00 0.00 O ATOM 1100 CB PRO A 90 -9.466 3.731 12.747 1.00 0.00 C ATOM 1101 CG PRO A 90 -10.098 2.544 12.082 1.00 0.00 C ATOM 1102 CD PRO A 90 -9.784 2.635 10.602 1.00 0.00 C ATOM 0 HA PRO A 90 -8.099 5.237 11.862 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.050 3.464 13.719 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -10.195 4.523 12.918 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.708 1.616 12.501 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.176 2.540 12.247 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.248 1.753 10.251 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.692 2.715 10.004 1.00 0.00 H new ATOM 1110 N TYR A 91 -6.266 3.247 11.022 1.00 0.00 N ATOM 1111 CA TYR A 91 -5.000 2.536 11.164 1.00 0.00 C ATOM 1112 C TYR A 91 -3.871 3.485 11.544 1.00 0.00 C ATOM 1113 O TYR A 91 -3.128 3.955 10.682 1.00 0.00 O ATOM 1114 CB TYR A 91 -4.638 1.812 9.866 1.00 0.00 C ATOM 1115 CG TYR A 91 -5.294 0.456 9.709 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -6.459 0.134 10.398 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -4.746 -0.503 8.866 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.056 -1.104 10.251 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.339 -1.741 8.711 1.00 0.00 C ATOM 1120 CZ TYR A 91 -6.493 -2.036 9.406 1.00 0.00 C ATOM 1121 OH TYR A 91 -7.085 -3.270 9.256 1.00 0.00 O ATOM 0 H TYR A 91 -6.462 3.578 10.077 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.126 1.805 11.963 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -4.921 2.440 9.021 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.556 1.687 9.822 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.904 0.863 11.059 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.841 -0.277 8.322 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.959 -1.340 10.795 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.901 -2.474 8.049 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.408 -3.928 8.993 1.00 0.00 H new ATOM 1131 N LYS A 92 -3.732 3.750 12.837 1.00 0.00 N ATOM 1132 CA LYS A 92 -2.674 4.627 13.315 1.00 0.00 C ATOM 1133 C LYS A 92 -1.330 3.921 13.194 1.00 0.00 C ATOM 1134 O LYS A 92 -1.207 2.756 13.567 1.00 0.00 O ATOM 1135 CB LYS A 92 -2.928 5.033 14.768 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.024 3.852 15.722 1.00 0.00 C ATOM 1137 CD LYS A 92 -2.115 4.032 16.927 1.00 0.00 C ATOM 1138 CE LYS A 92 -0.651 4.059 16.520 1.00 0.00 C ATOM 1139 NZ LYS A 92 0.165 4.906 17.434 1.00 0.00 N ATOM 0 H LYS A 92 -4.335 3.372 13.568 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.662 5.530 12.704 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.125 5.692 15.098 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.853 5.607 14.820 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.055 3.737 16.057 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.755 2.936 15.196 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.368 4.960 17.440 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.282 3.220 17.635 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.256 3.043 16.518 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.564 4.437 15.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.157 4.898 17.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.195 5.882 17.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.104 4.531 18.402 1.00 0.00 H new ATOM 1153 N TYR A 93 -0.334 4.634 12.658 1.00 0.00 N ATOM 1154 CA TYR A 93 1.019 4.094 12.456 1.00 0.00 C ATOM 1155 C TYR A 93 1.137 2.638 12.911 1.00 0.00 C ATOM 1156 O TYR A 93 1.684 2.350 13.976 1.00 0.00 O ATOM 1157 CB TYR A 93 2.040 4.953 13.206 1.00 0.00 C ATOM 1158 CG TYR A 93 3.403 4.985 12.552 1.00 0.00 C ATOM 1159 CD1 TYR A 93 3.531 5.183 11.183 1.00 0.00 C ATOM 1160 CD2 TYR A 93 4.560 4.822 13.303 1.00 0.00 C ATOM 1161 CE1 TYR A 93 4.775 5.215 10.581 1.00 0.00 C ATOM 1162 CE2 TYR A 93 5.807 4.854 12.708 1.00 0.00 C ATOM 1163 CZ TYR A 93 5.909 5.051 11.347 1.00 0.00 C ATOM 1164 OH TYR A 93 7.148 5.084 10.751 1.00 0.00 O ATOM 0 H TYR A 93 -0.441 5.601 12.351 1.00 0.00 H new ATOM 0 HA TYR A 93 1.222 4.121 11.386 1.00 0.00 H new ATOM 0 HB2 TYR A 93 1.659 5.971 13.282 1.00 0.00 H new ATOM 0 HB3 TYR A 93 2.143 4.574 14.223 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.645 5.314 10.580 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.484 4.668 14.369 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.858 5.368 9.515 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.697 4.725 13.306 1.00 0.00 H new ATOM 0 HH TYR A 93 7.842 4.953 11.431 1.00 0.00 H new ATOM 1174 N HIS A 94 0.609 1.726 12.096 1.00 0.00 N ATOM 1175 CA HIS A 94 0.643 0.301 12.411 1.00 0.00 C ATOM 1176 C HIS A 94 1.850 -0.378 11.769 1.00 0.00 C ATOM 1177 O HIS A 94 2.300 0.026 10.697 1.00 0.00 O ATOM 1178 CB HIS A 94 -0.648 -0.375 11.942 1.00 0.00 C ATOM 1179 CG HIS A 94 -1.648 -0.577 13.038 1.00 0.00 C ATOM 1180 ND1 HIS A 94 -2.682 -1.486 12.956 1.00 0.00 N ATOM 1181 CD2 HIS A 94 -1.768 0.018 14.249 1.00 0.00 C ATOM 1182 CE1 HIS A 94 -3.395 -1.440 14.068 1.00 0.00 C ATOM 1183 NE2 HIS A 94 -2.861 -0.537 14.868 1.00 0.00 N ATOM 0 H HIS A 94 0.152 1.950 11.212 1.00 0.00 H new ATOM 0 HA HIS A 94 0.730 0.198 13.493 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.100 0.229 11.155 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.403 -1.341 11.501 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.124 0.786 14.652 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.267 -2.040 14.285 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.205 -0.291 15.796 1.00 0.00 H new ATOM 1192 N GLY A 95 2.364 -1.409 12.445 1.00 0.00 N ATOM 1193 CA GLY A 95 3.523 -2.154 11.962 1.00 0.00 C ATOM 1194 C GLY A 95 3.661 -2.174 10.449 1.00 0.00 C ATOM 1195 O GLY A 95 4.768 -2.077 9.919 1.00 0.00 O ATOM 0 H GLY A 95 1.991 -1.746 13.333 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.425 -1.720 12.393 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.458 -3.180 12.324 1.00 0.00 H new ATOM 1199 N ARG A 96 2.538 -2.304 9.754 1.00 0.00 N ATOM 1200 CA ARG A 96 2.541 -2.342 8.297 1.00 0.00 C ATOM 1201 C ARG A 96 2.662 -0.939 7.705 1.00 0.00 C ATOM 1202 O ARG A 96 3.653 -0.617 7.051 1.00 0.00 O ATOM 1203 CB ARG A 96 1.267 -3.017 7.789 1.00 0.00 C ATOM 1204 CG ARG A 96 0.955 -4.329 8.491 1.00 0.00 C ATOM 1205 CD ARG A 96 1.548 -5.512 7.742 1.00 0.00 C ATOM 1206 NE ARG A 96 1.398 -6.763 8.482 1.00 0.00 N ATOM 1207 CZ ARG A 96 1.484 -7.969 7.924 1.00 0.00 C ATOM 1208 NH1 ARG A 96 1.751 -8.091 6.629 1.00 0.00 N ATOM 1209 NH2 ARG A 96 1.314 -9.055 8.664 1.00 0.00 N ATOM 0 H ARG A 96 1.613 -2.385 10.176 1.00 0.00 H new ATOM 0 HA ARG A 96 3.408 -2.919 7.976 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.427 -2.335 7.920 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.364 -3.201 6.719 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.351 -4.304 9.506 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.125 -4.452 8.573 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.062 -5.606 6.771 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.606 -5.328 7.553 1.00 0.00 H new ATOM 0 HE ARG A 96 1.217 -6.709 9.484 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.891 -7.259 6.057 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.816 -9.017 6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.117 -8.967 9.661 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.380 -9.979 8.237 1.00 0.00 H new ATOM 1223 N VAL A 97 1.637 -0.118 7.933 1.00 0.00 N ATOM 1224 CA VAL A 97 1.588 1.256 7.426 1.00 0.00 C ATOM 1225 C VAL A 97 2.967 1.893 7.296 1.00 0.00 C ATOM 1226 O VAL A 97 3.288 2.458 6.261 1.00 0.00 O ATOM 1227 CB VAL A 97 0.711 2.147 8.319 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.544 3.531 7.708 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.634 1.486 8.533 1.00 0.00 C ATOM 0 H VAL A 97 0.815 -0.386 8.475 1.00 0.00 H new ATOM 0 HA VAL A 97 1.153 1.185 6.429 1.00 0.00 H new ATOM 0 HB VAL A 97 1.201 2.270 9.285 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.081 4.143 8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.522 4.000 7.597 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.071 3.442 6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.254 2.120 9.167 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.126 1.342 7.571 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.492 0.519 9.016 1.00 0.00 H new ATOM 1239 N LYS A 98 3.784 1.811 8.337 1.00 0.00 N ATOM 1240 CA LYS A 98 5.117 2.401 8.274 1.00 0.00 C ATOM 1241 C LYS A 98 5.876 1.879 7.055 1.00 0.00 C ATOM 1242 O LYS A 98 6.091 2.605 6.087 1.00 0.00 O ATOM 1243 CB LYS A 98 5.916 2.143 9.556 1.00 0.00 C ATOM 1244 CG LYS A 98 5.811 0.725 10.083 1.00 0.00 C ATOM 1245 CD LYS A 98 5.692 0.701 11.597 1.00 0.00 C ATOM 1246 CE LYS A 98 4.465 1.458 12.069 1.00 0.00 C ATOM 1247 NZ LYS A 98 3.959 0.936 13.369 1.00 0.00 N ATOM 0 H LYS A 98 3.556 1.352 9.219 1.00 0.00 H new ATOM 0 HA LYS A 98 4.994 3.480 8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.965 2.371 9.368 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.573 2.831 10.328 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.944 0.235 9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.689 0.156 9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.640 -0.331 11.943 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.585 1.141 12.041 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.708 2.516 12.172 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.680 1.383 11.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.945 1.149 13.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.102 -0.093 13.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.477 1.388 14.150 1.00 0.00 H new ATOM 1261 N ALA A 99 6.284 0.611 7.126 1.00 0.00 N ATOM 1262 CA ALA A 99 7.036 -0.034 6.056 1.00 0.00 C ATOM 1263 C ALA A 99 6.254 -0.095 4.749 1.00 0.00 C ATOM 1264 O ALA A 99 6.813 0.128 3.678 1.00 0.00 O ATOM 1265 CB ALA A 99 7.449 -1.434 6.483 1.00 0.00 C ATOM 0 H ALA A 99 6.101 0.006 7.926 1.00 0.00 H new ATOM 0 HA ALA A 99 7.923 0.573 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.010 -1.909 5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.074 -1.373 7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.560 -2.025 6.703 1.00 0.00 H new ATOM 1271 N LEU A 100 4.962 -0.393 4.832 1.00 0.00 N ATOM 1272 CA LEU A 100 4.127 -0.478 3.651 1.00 0.00 C ATOM 1273 C LEU A 100 4.049 0.868 2.960 1.00 0.00 C ATOM 1274 O LEU A 100 4.154 0.970 1.738 1.00 0.00 O ATOM 1275 CB LEU A 100 2.719 -0.933 4.041 1.00 0.00 C ATOM 1276 CG LEU A 100 1.661 -0.711 2.964 1.00 0.00 C ATOM 1277 CD1 LEU A 100 0.559 -1.751 3.063 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.075 0.694 3.051 1.00 0.00 C ATOM 0 H LEU A 100 4.475 -0.579 5.708 1.00 0.00 H new ATOM 0 HA LEU A 100 4.568 -1.203 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.749 -1.994 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.417 -0.403 4.944 1.00 0.00 H new ATOM 0 HG LEU A 100 2.149 -0.818 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.182 -1.571 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.985 -2.746 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.082 -1.684 4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.324 0.824 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.613 0.835 4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.869 1.428 2.916 1.00 0.00 H new ATOM 1290 N ALA A 101 3.832 1.891 3.762 1.00 0.00 N ATOM 1291 CA ALA A 101 3.697 3.244 3.255 1.00 0.00 C ATOM 1292 C ALA A 101 5.001 3.777 2.677 1.00 0.00 C ATOM 1293 O ALA A 101 4.969 4.567 1.738 1.00 0.00 O ATOM 1294 CB ALA A 101 3.150 4.159 4.332 1.00 0.00 C ATOM 0 H ALA A 101 3.745 1.811 4.775 1.00 0.00 H new ATOM 0 HA ALA A 101 2.984 3.218 2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.055 5.170 3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.172 3.800 4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.830 4.165 5.184 1.00 0.00 H new ATOM 1300 N GLU A 102 6.154 3.337 3.194 1.00 0.00 N ATOM 1301 CA GLU A 102 7.413 3.806 2.620 1.00 0.00 C ATOM 1302 C GLU A 102 7.535 3.229 1.224 1.00 0.00 C ATOM 1303 O GLU A 102 7.808 3.947 0.281 1.00 0.00 O ATOM 1304 CB GLU A 102 8.665 3.454 3.443 1.00 0.00 C ATOM 1305 CG GLU A 102 8.403 2.701 4.740 1.00 0.00 C ATOM 1306 CD GLU A 102 9.680 2.185 5.378 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.722 2.165 4.690 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.637 1.804 6.566 1.00 0.00 O ATOM 0 H GLU A 102 6.240 2.686 3.974 1.00 0.00 H new ATOM 0 HA GLU A 102 7.375 4.895 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.330 2.854 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.195 4.377 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.890 3.359 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.735 1.863 4.542 1.00 0.00 H new ATOM 1315 N GLY A 103 7.271 1.931 1.090 1.00 0.00 N ATOM 1316 CA GLY A 103 7.308 1.302 -0.220 1.00 0.00 C ATOM 1317 C GLY A 103 6.552 2.130 -1.228 1.00 0.00 C ATOM 1318 O GLY A 103 7.055 2.496 -2.288 1.00 0.00 O ATOM 0 H GLY A 103 7.033 1.307 1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.342 1.182 -0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.874 0.304 -0.162 1.00 0.00 H new ATOM 1322 N ALA A 104 5.301 2.391 -0.861 1.00 0.00 N ATOM 1323 CA ALA A 104 4.375 3.153 -1.679 1.00 0.00 C ATOM 1324 C ALA A 104 4.837 4.593 -1.849 1.00 0.00 C ATOM 1325 O ALA A 104 4.666 5.191 -2.908 1.00 0.00 O ATOM 1326 CB ALA A 104 2.988 3.110 -1.062 1.00 0.00 C ATOM 0 H ALA A 104 4.902 2.074 0.022 1.00 0.00 H new ATOM 0 HA ALA A 104 4.342 2.699 -2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.297 3.683 -1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.648 2.076 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.022 3.540 -0.061 1.00 0.00 H new ATOM 1332 N ARG A 105 5.432 5.151 -0.800 1.00 0.00 N ATOM 1333 CA ARG A 105 5.926 6.524 -0.841 1.00 0.00 C ATOM 1334 C ARG A 105 7.353 6.570 -1.383 1.00 0.00 C ATOM 1335 O ARG A 105 7.793 7.585 -1.923 1.00 0.00 O ATOM 1336 CB ARG A 105 5.842 7.158 0.554 1.00 0.00 C ATOM 1337 CG ARG A 105 6.689 8.410 0.733 1.00 0.00 C ATOM 1338 CD ARG A 105 6.125 9.589 -0.046 1.00 0.00 C ATOM 1339 NE ARG A 105 7.148 10.253 -0.849 1.00 0.00 N ATOM 1340 CZ ARG A 105 8.012 11.142 -0.363 1.00 0.00 C ATOM 1341 NH1 ARG A 105 7.985 11.471 0.922 1.00 0.00 N ATOM 1342 NH2 ARG A 105 8.907 11.702 -1.165 1.00 0.00 N ATOM 0 H ARG A 105 5.584 4.674 0.089 1.00 0.00 H new ATOM 0 HA ARG A 105 5.297 7.102 -1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 105 4.802 7.406 0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.149 6.419 1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.742 8.665 1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.708 8.210 0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.322 9.243 -0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.687 10.306 0.648 1.00 0.00 H new ATOM 0 HE ARG A 105 7.204 10.022 -1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.300 11.042 1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 105 8.650 12.153 1.288 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.933 11.452 -2.153 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.569 12.383 -0.794 1.00 0.00 H new ATOM 1356 N GLU A 106 8.060 5.457 -1.247 1.00 0.00 N ATOM 1357 CA GLU A 106 9.423 5.343 -1.729 1.00 0.00 C ATOM 1358 C GLU A 106 9.386 5.017 -3.217 1.00 0.00 C ATOM 1359 O GLU A 106 10.204 5.499 -4.001 1.00 0.00 O ATOM 1360 CB GLU A 106 10.162 4.238 -0.950 1.00 0.00 C ATOM 1361 CG GLU A 106 10.079 2.859 -1.587 1.00 0.00 C ATOM 1362 CD GLU A 106 10.996 1.852 -0.925 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.774 2.253 -0.035 1.00 0.00 O ATOM 1364 OE2 GLU A 106 10.939 0.662 -1.299 1.00 0.00 O ATOM 0 H GLU A 106 7.704 4.612 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 106 9.956 6.281 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.211 4.518 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.752 4.185 0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.052 2.499 -1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.334 2.936 -2.644 1.00 0.00 H new ATOM 1371 N GLY A 107 8.409 4.189 -3.587 1.00 0.00 N ATOM 1372 CA GLY A 107 8.241 3.793 -4.968 1.00 0.00 C ATOM 1373 C GLY A 107 7.828 4.962 -5.850 1.00 0.00 C ATOM 1374 O GLY A 107 8.422 5.179 -6.906 1.00 0.00 O ATOM 0 H GLY A 107 7.728 3.785 -2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.174 3.370 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.488 3.008 -5.031 1.00 0.00 H new ATOM 1378 N GLY A 108 6.823 5.734 -5.417 1.00 0.00 N ATOM 1379 CA GLY A 108 6.391 6.881 -6.207 1.00 0.00 C ATOM 1380 C GLY A 108 5.196 7.634 -5.629 1.00 0.00 C ATOM 1381 O GLY A 108 5.057 8.836 -5.854 1.00 0.00 O ATOM 0 H GLY A 108 6.310 5.587 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.227 7.573 -6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.138 6.540 -7.211 1.00 0.00 H new ATOM 1385 N LEU A 109 4.318 6.934 -4.918 1.00 0.00 N ATOM 1386 CA LEU A 109 3.121 7.547 -4.353 1.00 0.00 C ATOM 1387 C LEU A 109 3.421 8.475 -3.189 1.00 0.00 C ATOM 1388 O LEU A 109 4.297 8.218 -2.373 1.00 0.00 O ATOM 1389 CB LEU A 109 2.149 6.464 -3.896 1.00 0.00 C ATOM 1390 CG LEU A 109 1.452 5.744 -5.035 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.472 5.123 -5.964 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.483 4.699 -4.505 1.00 0.00 C ATOM 0 H LEU A 109 4.414 5.938 -4.719 1.00 0.00 H new ATOM 0 HA LEU A 109 2.677 8.152 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.690 5.734 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.396 6.914 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 109 0.872 6.472 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.959 4.609 -6.777 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.113 5.903 -6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.081 4.408 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.004 4.197 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.028 3.967 -3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.271 5.183 -3.884 1.00 0.00 H new ATOM 1404 N GLU A 110 2.655 9.551 -3.119 1.00 0.00 N ATOM 1405 CA GLU A 110 2.788 10.528 -2.050 1.00 0.00 C ATOM 1406 C GLU A 110 1.433 10.771 -1.399 1.00 0.00 C ATOM 1407 O GLU A 110 0.599 11.505 -1.927 1.00 0.00 O ATOM 1408 CB GLU A 110 3.376 11.833 -2.581 1.00 0.00 C ATOM 1409 CG GLU A 110 4.893 11.875 -2.513 1.00 0.00 C ATOM 1410 CD GLU A 110 5.543 11.775 -3.879 1.00 0.00 C ATOM 1411 OE1 GLU A 110 5.182 12.575 -4.768 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.413 10.898 -4.060 1.00 0.00 O ATOM 0 H GLU A 110 1.927 9.772 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 110 3.472 10.135 -1.298 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.061 11.972 -3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.969 12.667 -2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.206 12.803 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.247 11.057 -1.886 1.00 0.00 H new ATOM 1419 N PHE A 111 1.210 10.125 -0.264 1.00 0.00 N ATOM 1420 CA PHE A 111 -0.055 10.244 0.450 1.00 0.00 C ATOM 1421 C PHE A 111 0.175 10.565 1.923 1.00 0.00 C ATOM 1422 O PHE A 111 -0.528 11.453 2.451 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.839 8.938 0.310 1.00 0.00 C ATOM 1424 CG PHE A 111 0.033 7.721 0.425 1.00 0.00 C ATOM 1425 CD1 PHE A 111 0.854 7.346 -0.624 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.051 6.969 1.587 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.676 6.243 -0.518 1.00 0.00 C ATOM 1428 CE2 PHE A 111 0.875 5.867 1.702 1.00 0.00 C ATOM 1429 CZ PHE A 111 1.688 5.503 0.647 1.00 0.00 C ATOM 1430 OXT PHE A 111 1.054 9.926 2.537 1.00 0.00 O ATOM 0 H PHE A 111 1.890 9.511 0.184 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.627 11.064 0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.612 8.899 1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.347 8.926 -0.654 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.851 7.924 -1.537 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.587 7.247 2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.309 5.959 -1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.884 5.291 2.615 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.332 4.641 0.733 1.00 0.00 H new TER 1440 PHE A 111