USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 397 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 134 CYS SG : rot -157:sc= -0.795 USER MOD Set 1.2: A 137 CYS SG : rot -129:sc= -1.29 USER MOD Set 1.3: A 150 HIS : no HE2:sc= -0.45 K(o=-8.5,f=-19!) USER MOD Set 1.4: A 155 HIS : no HD1:sc= -6! K(o=-8.5!,f=-11) USER MOD Set 2.1: A 106 CYS SG : rot 44:sc= -0.816 USER MOD Set 2.2: A 109 CYS SG : rot -58:sc= -2.02 USER MOD Set 2.3: A 122 HIS : no HE2:sc= -0.558 K(o=-4.7,f=-14!) USER MOD Set 2.4: A 126 HIS : no HD1:sc= -1.31 K(o=-4.7,f=-15!) USER MOD Single : A 110 THR OG1 : rot -0:sc= 0.376 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.06) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc=-0.00914 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.029) USER MOD Single : A 142 THR OG1 : rot -130:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.021) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 104 -25.878 29.591 21.072 1.00 0.00 N ATOM 37 CA PHE A 104 -25.171 28.313 20.770 1.00 0.00 C ATOM 38 C PHE A 104 -25.300 27.373 21.969 1.00 0.00 C ATOM 39 O PHE A 104 -24.379 27.202 22.744 1.00 0.00 O ATOM 40 CB PHE A 104 -23.694 28.593 20.492 1.00 0.00 C ATOM 41 CG PHE A 104 -23.571 29.596 19.369 1.00 0.00 C ATOM 42 CD1 PHE A 104 -23.819 29.200 18.048 1.00 0.00 C ATOM 43 CD2 PHE A 104 -23.209 30.919 19.648 1.00 0.00 C ATOM 44 CE1 PHE A 104 -23.705 30.130 17.007 1.00 0.00 C ATOM 45 CE2 PHE A 104 -23.095 31.847 18.605 1.00 0.00 C ATOM 46 CZ PHE A 104 -23.343 31.453 17.285 1.00 0.00 C ATOM 0 HA PHE A 104 -25.617 27.848 19.890 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -23.211 28.977 21.391 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -23.182 27.668 20.225 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -24.098 28.179 17.833 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -23.018 31.224 20.666 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -23.897 29.826 15.989 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -22.815 32.868 18.820 1.00 0.00 H new ATOM 0 HZ PHE A 104 -23.255 32.169 16.482 1.00 0.00 H new ATOM 56 N VAL A 105 -26.445 26.761 22.115 1.00 0.00 N ATOM 57 CA VAL A 105 -26.662 25.818 23.256 1.00 0.00 C ATOM 58 C VAL A 105 -26.311 24.399 22.798 1.00 0.00 C ATOM 59 O VAL A 105 -26.748 23.943 21.759 1.00 0.00 O ATOM 60 CB VAL A 105 -28.133 25.898 23.735 1.00 0.00 C ATOM 61 CG1 VAL A 105 -29.085 25.853 22.536 1.00 0.00 C ATOM 62 CG2 VAL A 105 -28.466 24.733 24.686 1.00 0.00 C ATOM 0 H VAL A 105 -27.244 26.873 21.491 1.00 0.00 H new ATOM 0 HA VAL A 105 -26.021 26.090 24.094 1.00 0.00 H new ATOM 0 HB VAL A 105 -28.259 26.840 24.269 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -30.115 25.910 22.887 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -28.879 26.696 21.876 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -28.939 24.921 21.990 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -29.504 24.812 25.008 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.318 23.786 24.167 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -27.812 24.776 25.557 1.00 0.00 H new ATOM 72 N CYS A 106 -25.530 23.704 23.582 1.00 0.00 N ATOM 73 CA CYS A 106 -25.145 22.311 23.223 1.00 0.00 C ATOM 74 C CYS A 106 -26.399 21.437 23.191 1.00 0.00 C ATOM 75 O CYS A 106 -27.222 21.489 24.087 1.00 0.00 O ATOM 76 CB CYS A 106 -24.171 21.773 24.272 1.00 0.00 C ATOM 77 SG CYS A 106 -23.402 20.252 23.663 1.00 0.00 S ATOM 0 H CYS A 106 -25.141 24.045 24.461 1.00 0.00 H new ATOM 0 HA CYS A 106 -24.667 22.298 22.243 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -23.405 22.518 24.488 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -24.698 21.577 25.206 1.00 0.00 H new ATOM 0 HG CYS A 106 -23.062 20.406 22.418 1.00 0.00 H new ATOM 82 N GLU A 107 -26.553 20.637 22.167 1.00 0.00 N ATOM 83 CA GLU A 107 -27.757 19.758 22.072 1.00 0.00 C ATOM 84 C GLU A 107 -27.540 18.460 22.863 1.00 0.00 C ATOM 85 O GLU A 107 -28.355 17.558 22.804 1.00 0.00 O ATOM 86 CB GLU A 107 -28.017 19.417 20.604 1.00 0.00 C ATOM 87 CG GLU A 107 -28.377 20.693 19.842 1.00 0.00 C ATOM 88 CD GLU A 107 -29.896 20.878 19.845 1.00 0.00 C ATOM 89 OE1 GLU A 107 -30.498 20.653 20.882 1.00 0.00 O ATOM 90 OE2 GLU A 107 -30.430 21.240 18.811 1.00 0.00 O ATOM 0 H GLU A 107 -25.896 20.555 21.391 1.00 0.00 H new ATOM 0 HA GLU A 107 -28.613 20.286 22.492 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -27.133 18.955 20.164 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -28.828 18.693 20.526 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -27.894 21.554 20.305 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -28.009 20.634 18.818 1.00 0.00 H new ATOM 97 N VAL A 108 -26.458 18.351 23.601 1.00 0.00 N ATOM 98 CA VAL A 108 -26.210 17.107 24.385 1.00 0.00 C ATOM 99 C VAL A 108 -26.321 17.416 25.877 1.00 0.00 C ATOM 100 O VAL A 108 -26.864 16.639 26.639 1.00 0.00 O ATOM 101 CB VAL A 108 -24.808 16.568 24.071 1.00 0.00 C ATOM 102 CG1 VAL A 108 -24.650 15.171 24.671 1.00 0.00 C ATOM 103 CG2 VAL A 108 -24.615 16.490 22.554 1.00 0.00 C ATOM 0 H VAL A 108 -25.741 19.070 23.691 1.00 0.00 H new ATOM 0 HA VAL A 108 -26.951 16.355 24.115 1.00 0.00 H new ATOM 0 HB VAL A 108 -24.062 17.237 24.500 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -23.654 14.789 24.447 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -24.785 15.222 25.751 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -25.399 14.504 24.243 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -23.619 16.107 22.333 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -25.363 15.823 22.126 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -24.725 17.484 22.122 1.00 0.00 H new ATOM 113 N CYS A 109 -25.819 18.549 26.297 1.00 0.00 N ATOM 114 CA CYS A 109 -25.904 18.917 27.741 1.00 0.00 C ATOM 115 C CYS A 109 -26.728 20.199 27.920 1.00 0.00 C ATOM 116 O CYS A 109 -26.767 20.763 28.995 1.00 0.00 O ATOM 117 CB CYS A 109 -24.493 19.130 28.302 1.00 0.00 C ATOM 118 SG CYS A 109 -23.616 20.361 27.306 1.00 0.00 S ATOM 0 H CYS A 109 -25.354 19.235 25.702 1.00 0.00 H new ATOM 0 HA CYS A 109 -26.394 18.107 28.281 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -24.550 19.462 29.339 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -23.944 18.188 28.298 1.00 0.00 H new ATOM 0 HG CYS A 109 -23.571 19.965 26.068 1.00 0.00 H new ATOM 123 N THR A 110 -27.392 20.663 26.879 1.00 0.00 N ATOM 124 CA THR A 110 -28.226 21.911 26.992 1.00 0.00 C ATOM 125 C THR A 110 -27.415 23.041 27.651 1.00 0.00 C ATOM 126 O THR A 110 -27.841 23.646 28.617 1.00 0.00 O ATOM 127 CB THR A 110 -29.486 21.624 27.822 1.00 0.00 C ATOM 128 OG1 THR A 110 -29.129 21.452 29.186 1.00 0.00 O ATOM 129 CG2 THR A 110 -30.170 20.355 27.308 1.00 0.00 C ATOM 0 H THR A 110 -27.392 20.230 25.955 1.00 0.00 H new ATOM 0 HA THR A 110 -28.518 22.227 25.990 1.00 0.00 H new ATOM 0 HB THR A 110 -30.174 22.464 27.729 1.00 0.00 H new ATOM 0 HG1 THR A 110 -28.159 21.552 29.285 1.00 0.00 H new ATOM 0 HG21 THR A 110 -31.063 20.157 27.901 1.00 0.00 H new ATOM 0 HG22 THR A 110 -30.451 20.491 26.264 1.00 0.00 H new ATOM 0 HG23 THR A 110 -29.484 19.512 27.393 1.00 0.00 H new ATOM 137 N ARG A 111 -26.245 23.316 27.133 1.00 0.00 N ATOM 138 CA ARG A 111 -25.392 24.394 27.721 1.00 0.00 C ATOM 139 C ARG A 111 -25.807 25.750 27.146 1.00 0.00 C ATOM 140 O ARG A 111 -26.863 25.885 26.561 1.00 0.00 O ATOM 141 CB ARG A 111 -23.922 24.119 27.383 1.00 0.00 C ATOM 142 CG ARG A 111 -23.033 24.531 28.563 1.00 0.00 C ATOM 143 CD ARG A 111 -22.654 23.295 29.379 1.00 0.00 C ATOM 144 NE ARG A 111 -23.607 23.134 30.513 1.00 0.00 N ATOM 145 CZ ARG A 111 -23.165 22.809 31.696 1.00 0.00 C ATOM 146 NH1 ARG A 111 -22.400 23.635 32.356 1.00 0.00 N ATOM 147 NH2 ARG A 111 -23.488 21.658 32.220 1.00 0.00 N ATOM 0 H ARG A 111 -25.842 22.839 26.326 1.00 0.00 H new ATOM 0 HA ARG A 111 -25.520 24.410 28.803 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -23.782 23.061 27.162 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -23.635 24.672 26.489 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -22.134 25.027 28.198 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -23.559 25.248 29.194 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -22.674 22.408 28.745 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -21.636 23.394 29.757 1.00 0.00 H new ATOM 0 HE ARG A 111 -24.606 23.278 30.364 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -22.148 24.535 31.946 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -22.054 23.381 33.281 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -24.086 21.013 31.704 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -23.142 21.404 33.145 1.00 0.00 H new ATOM 161 N ALA A 112 -24.985 26.757 27.311 1.00 0.00 N ATOM 162 CA ALA A 112 -25.331 28.104 26.774 1.00 0.00 C ATOM 163 C ALA A 112 -24.048 28.861 26.422 1.00 0.00 C ATOM 164 O ALA A 112 -23.300 29.269 27.291 1.00 0.00 O ATOM 165 CB ALA A 112 -26.114 28.891 27.828 1.00 0.00 C ATOM 0 H ALA A 112 -24.089 26.702 27.795 1.00 0.00 H new ATOM 0 HA ALA A 112 -25.942 27.989 25.879 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -26.366 29.876 27.434 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -27.029 28.354 28.077 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -25.505 29.004 28.725 1.00 0.00 H new ATOM 171 N PHE A 113 -23.793 29.053 25.153 1.00 0.00 N ATOM 172 CA PHE A 113 -22.562 29.786 24.733 1.00 0.00 C ATOM 173 C PHE A 113 -22.948 30.918 23.782 1.00 0.00 C ATOM 174 O PHE A 113 -23.594 30.700 22.774 1.00 0.00 O ATOM 175 CB PHE A 113 -21.612 28.825 24.017 1.00 0.00 C ATOM 176 CG PHE A 113 -20.983 27.892 25.024 1.00 0.00 C ATOM 177 CD1 PHE A 113 -19.883 28.315 25.779 1.00 0.00 C ATOM 178 CD2 PHE A 113 -21.501 26.604 25.202 1.00 0.00 C ATOM 179 CE1 PHE A 113 -19.301 27.450 26.713 1.00 0.00 C ATOM 180 CE2 PHE A 113 -20.919 25.738 26.136 1.00 0.00 C ATOM 181 CZ PHE A 113 -19.818 26.161 26.891 1.00 0.00 C ATOM 0 H PHE A 113 -24.386 28.732 24.388 1.00 0.00 H new ATOM 0 HA PHE A 113 -22.067 30.197 25.612 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -22.156 28.252 23.266 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -20.838 29.386 23.492 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -19.483 29.309 25.641 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -22.350 26.278 24.619 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -18.453 27.777 27.296 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -21.319 24.744 26.274 1.00 0.00 H new ATOM 0 HZ PHE A 113 -19.368 25.493 27.610 1.00 0.00 H new ATOM 191 N ALA A 114 -22.555 32.126 24.093 1.00 0.00 N ATOM 192 CA ALA A 114 -22.893 33.279 23.209 1.00 0.00 C ATOM 193 C ALA A 114 -22.035 33.227 21.940 1.00 0.00 C ATOM 194 O ALA A 114 -22.403 33.772 20.915 1.00 0.00 O ATOM 195 CB ALA A 114 -22.625 34.587 23.954 1.00 0.00 C ATOM 0 H ALA A 114 -22.013 32.363 24.924 1.00 0.00 H new ATOM 0 HA ALA A 114 -23.946 33.226 22.933 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -22.872 35.430 23.309 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -23.240 34.626 24.853 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -21.572 34.638 24.232 1.00 0.00 H new ATOM 201 N ARG A 115 -20.896 32.577 21.998 1.00 0.00 N ATOM 202 CA ARG A 115 -20.018 32.491 20.794 1.00 0.00 C ATOM 203 C ARG A 115 -19.977 31.047 20.291 1.00 0.00 C ATOM 204 O ARG A 115 -20.103 30.110 21.058 1.00 0.00 O ATOM 205 CB ARG A 115 -18.602 32.940 21.161 1.00 0.00 C ATOM 206 CG ARG A 115 -18.656 34.327 21.808 1.00 0.00 C ATOM 207 CD ARG A 115 -19.146 35.362 20.786 1.00 0.00 C ATOM 208 NE ARG A 115 -18.190 36.503 20.740 1.00 0.00 N ATOM 209 CZ ARG A 115 -18.221 37.418 21.669 1.00 0.00 C ATOM 210 NH1 ARG A 115 -19.027 38.438 21.555 1.00 0.00 N ATOM 211 NH2 ARG A 115 -17.447 37.313 22.714 1.00 0.00 N ATOM 0 H ARG A 115 -20.539 32.104 22.828 1.00 0.00 H new ATOM 0 HA ARG A 115 -20.415 33.138 20.011 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -18.149 32.225 21.847 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -17.975 32.967 20.269 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -19.323 34.310 22.670 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -17.668 34.605 22.175 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -19.231 34.904 19.800 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -20.140 35.717 21.059 1.00 0.00 H new ATOM 0 HE ARG A 115 -17.511 36.569 19.982 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -19.633 38.520 20.739 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -19.051 39.153 22.282 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -16.818 36.515 22.804 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -17.471 38.029 23.441 1.00 0.00 H new ATOM 225 N GLN A 116 -19.801 30.865 19.007 1.00 0.00 N ATOM 226 CA GLN A 116 -19.749 29.485 18.440 1.00 0.00 C ATOM 227 C GLN A 116 -18.303 28.980 18.442 1.00 0.00 C ATOM 228 O GLN A 116 -18.057 27.790 18.480 1.00 0.00 O ATOM 229 CB GLN A 116 -20.278 29.505 17.004 1.00 0.00 C ATOM 230 CG GLN A 116 -20.527 28.073 16.531 1.00 0.00 C ATOM 231 CD GLN A 116 -21.480 28.088 15.334 1.00 0.00 C ATOM 232 OE1 GLN A 116 -21.194 28.700 14.324 1.00 0.00 O ATOM 233 NE2 GLN A 116 -22.608 27.436 15.404 1.00 0.00 N ATOM 0 H GLN A 116 -19.691 31.616 18.325 1.00 0.00 H new ATOM 0 HA GLN A 116 -20.364 28.822 19.048 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -21.202 30.081 16.954 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -19.560 29.996 16.348 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -19.584 27.602 16.253 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -20.953 27.480 17.341 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -22.848 26.922 16.252 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -23.249 27.440 14.611 1.00 0.00 H new ATOM 242 N GLU A 117 -17.347 29.875 18.397 1.00 0.00 N ATOM 243 CA GLU A 117 -15.916 29.450 18.392 1.00 0.00 C ATOM 244 C GLU A 117 -15.589 28.710 19.693 1.00 0.00 C ATOM 245 O GLU A 117 -14.722 27.859 19.728 1.00 0.00 O ATOM 246 CB GLU A 117 -15.017 30.683 18.265 1.00 0.00 C ATOM 247 CG GLU A 117 -15.354 31.683 19.373 1.00 0.00 C ATOM 248 CD GLU A 117 -14.261 32.751 19.447 1.00 0.00 C ATOM 249 OE1 GLU A 117 -13.945 33.318 18.414 1.00 0.00 O ATOM 250 OE2 GLU A 117 -13.759 32.984 20.534 1.00 0.00 O ATOM 0 H GLU A 117 -17.498 30.883 18.363 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.742 28.784 17.547 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.969 30.390 18.333 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -15.156 31.147 17.288 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.319 32.149 19.176 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -15.439 31.167 20.330 1.00 0.00 H new ATOM 257 N HIS A 118 -16.275 29.031 20.762 1.00 0.00 N ATOM 258 CA HIS A 118 -16.005 28.351 22.064 1.00 0.00 C ATOM 259 C HIS A 118 -16.686 26.980 22.080 1.00 0.00 C ATOM 260 O HIS A 118 -16.072 25.977 22.390 1.00 0.00 O ATOM 261 CB HIS A 118 -16.554 29.203 23.209 1.00 0.00 C ATOM 262 CG HIS A 118 -15.587 30.312 23.519 1.00 0.00 C ATOM 263 ND1 HIS A 118 -16.008 31.579 23.889 1.00 0.00 N ATOM 264 CD2 HIS A 118 -14.215 30.360 23.516 1.00 0.00 C ATOM 265 CE1 HIS A 118 -14.910 32.329 24.093 1.00 0.00 C ATOM 266 NE2 HIS A 118 -13.790 31.635 23.878 1.00 0.00 N ATOM 0 H HIS A 118 -17.012 29.736 20.788 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.930 28.223 22.187 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -17.524 29.618 22.935 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -16.710 28.585 24.093 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -13.564 29.534 23.270 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -14.932 33.366 24.394 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -12.829 31.968 23.961 1.00 0.00 H new ATOM 274 N LEU A 119 -17.952 26.934 21.752 1.00 0.00 N ATOM 275 CA LEU A 119 -18.690 25.640 21.746 1.00 0.00 C ATOM 276 C LEU A 119 -18.037 24.661 20.762 1.00 0.00 C ATOM 277 O LEU A 119 -18.198 23.462 20.877 1.00 0.00 O ATOM 278 CB LEU A 119 -20.139 25.894 21.317 1.00 0.00 C ATOM 279 CG LEU A 119 -21.090 24.999 22.118 1.00 0.00 C ATOM 280 CD1 LEU A 119 -22.523 25.252 21.659 1.00 0.00 C ATOM 281 CD2 LEU A 119 -20.742 23.528 21.879 1.00 0.00 C ATOM 0 H LEU A 119 -18.509 27.746 21.486 1.00 0.00 H new ATOM 0 HA LEU A 119 -18.663 25.208 22.746 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -20.395 26.942 21.474 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -20.251 25.695 20.251 1.00 0.00 H new ATOM 0 HG LEU A 119 -20.991 25.228 23.179 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -23.204 24.617 22.226 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -22.779 26.298 21.825 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -22.611 25.021 20.597 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -21.421 22.896 22.451 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.840 23.299 20.818 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -19.717 23.340 22.198 1.00 0.00 H new ATOM 293 N LYS A 120 -17.311 25.162 19.792 1.00 0.00 N ATOM 294 CA LYS A 120 -16.660 24.261 18.793 1.00 0.00 C ATOM 295 C LYS A 120 -15.728 23.273 19.503 1.00 0.00 C ATOM 296 O LYS A 120 -15.787 22.080 19.272 1.00 0.00 O ATOM 297 CB LYS A 120 -15.849 25.101 17.803 1.00 0.00 C ATOM 298 CG LYS A 120 -16.724 25.462 16.601 1.00 0.00 C ATOM 299 CD LYS A 120 -15.842 25.656 15.367 1.00 0.00 C ATOM 300 CE LYS A 120 -16.681 26.224 14.221 1.00 0.00 C ATOM 301 NZ LYS A 120 -15.831 26.367 13.006 1.00 0.00 N ATOM 0 H LYS A 120 -17.142 26.158 19.650 1.00 0.00 H new ATOM 0 HA LYS A 120 -17.431 23.704 18.260 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -15.489 26.008 18.289 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -14.971 24.546 17.473 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -17.454 24.673 16.419 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -17.285 26.374 16.807 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -15.019 26.332 15.598 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -15.400 24.705 15.071 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -17.524 25.565 14.012 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -17.095 27.192 14.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -16.401 26.753 12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -15.041 27.012 13.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -15.457 25.436 12.733 1.00 0.00 H new ATOM 315 N ARG A 121 -14.872 23.761 20.365 1.00 0.00 N ATOM 316 CA ARG A 121 -13.934 22.856 21.092 1.00 0.00 C ATOM 317 C ARG A 121 -14.724 21.982 22.069 1.00 0.00 C ATOM 318 O ARG A 121 -14.351 20.859 22.353 1.00 0.00 O ATOM 319 CB ARG A 121 -12.915 23.693 21.868 1.00 0.00 C ATOM 320 CG ARG A 121 -11.914 24.316 20.892 1.00 0.00 C ATOM 321 CD ARG A 121 -10.647 24.720 21.647 1.00 0.00 C ATOM 322 NE ARG A 121 -11.001 25.668 22.741 1.00 0.00 N ATOM 323 CZ ARG A 121 -10.413 25.572 23.902 1.00 0.00 C ATOM 324 NH1 ARG A 121 -9.238 26.111 24.085 1.00 0.00 N ATOM 325 NH2 ARG A 121 -11.000 24.939 24.880 1.00 0.00 N ATOM 0 H ARG A 121 -14.783 24.750 20.596 1.00 0.00 H new ATOM 0 HA ARG A 121 -13.413 22.222 20.375 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -13.425 24.475 22.431 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -12.392 23.068 22.592 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -11.669 23.605 20.103 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -12.356 25.188 20.409 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -10.160 23.837 22.060 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -9.937 25.185 20.964 1.00 0.00 H new ATOM 0 HE ARG A 121 -11.702 26.391 22.582 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -8.780 26.607 23.321 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -8.778 26.036 24.992 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -11.919 24.519 24.737 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -10.540 24.864 25.787 1.00 0.00 H new ATOM 339 N HIS A 122 -15.813 22.494 22.584 1.00 0.00 N ATOM 340 CA HIS A 122 -16.639 21.706 23.547 1.00 0.00 C ATOM 341 C HIS A 122 -17.576 20.750 22.777 1.00 0.00 C ATOM 342 O HIS A 122 -18.240 19.925 23.375 1.00 0.00 O ATOM 343 CB HIS A 122 -17.457 22.690 24.408 1.00 0.00 C ATOM 344 CG HIS A 122 -18.466 21.958 25.261 1.00 0.00 C ATOM 345 ND1 HIS A 122 -18.128 21.377 26.472 1.00 0.00 N ATOM 346 CD2 HIS A 122 -19.805 21.712 25.087 1.00 0.00 C ATOM 347 CE1 HIS A 122 -19.243 20.816 26.978 1.00 0.00 C ATOM 348 NE2 HIS A 122 -20.294 20.991 26.172 1.00 0.00 N ATOM 0 H HIS A 122 -16.167 23.428 22.378 1.00 0.00 H new ATOM 0 HA HIS A 122 -15.997 21.105 24.191 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -16.786 23.265 25.046 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -17.971 23.402 23.763 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -17.203 21.374 26.902 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -20.390 22.030 24.237 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -19.283 20.289 27.920 1.00 0.00 H new ATOM 356 N TYR A 123 -17.639 20.853 21.468 1.00 0.00 N ATOM 357 CA TYR A 123 -18.538 19.952 20.685 1.00 0.00 C ATOM 358 C TYR A 123 -17.771 18.702 20.240 1.00 0.00 C ATOM 359 O TYR A 123 -18.357 17.666 19.986 1.00 0.00 O ATOM 360 CB TYR A 123 -19.055 20.699 19.451 1.00 0.00 C ATOM 361 CG TYR A 123 -20.484 20.294 19.171 1.00 0.00 C ATOM 362 CD1 TYR A 123 -21.459 20.434 20.167 1.00 0.00 C ATOM 363 CD2 TYR A 123 -20.832 19.778 17.918 1.00 0.00 C ATOM 364 CE1 TYR A 123 -22.782 20.059 19.907 1.00 0.00 C ATOM 365 CE2 TYR A 123 -22.156 19.403 17.658 1.00 0.00 C ATOM 366 CZ TYR A 123 -23.132 19.544 18.653 1.00 0.00 C ATOM 367 OH TYR A 123 -24.436 19.174 18.397 1.00 0.00 O ATOM 0 H TYR A 123 -17.106 21.522 20.912 1.00 0.00 H new ATOM 0 HA TYR A 123 -19.377 19.650 21.312 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -18.997 21.775 19.615 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -18.428 20.474 18.589 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -21.190 20.831 21.135 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -20.079 19.669 17.151 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -23.534 20.167 20.675 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -22.425 19.005 16.691 1.00 0.00 H new ATOM 0 HH TYR A 123 -24.507 18.838 17.479 1.00 0.00 H new ATOM 377 N ARG A 124 -16.466 18.789 20.138 1.00 0.00 N ATOM 378 CA ARG A 124 -15.657 17.608 19.703 1.00 0.00 C ATOM 379 C ARG A 124 -15.899 16.423 20.646 1.00 0.00 C ATOM 380 O ARG A 124 -15.739 15.279 20.266 1.00 0.00 O ATOM 381 CB ARG A 124 -14.174 17.978 19.725 1.00 0.00 C ATOM 382 CG ARG A 124 -13.389 16.999 18.848 1.00 0.00 C ATOM 383 CD ARG A 124 -11.943 16.921 19.340 1.00 0.00 C ATOM 384 NE ARG A 124 -11.268 15.747 18.718 1.00 0.00 N ATOM 385 CZ ARG A 124 -10.996 14.693 19.439 1.00 0.00 C ATOM 386 NH1 ARG A 124 -11.871 13.731 19.544 1.00 0.00 N ATOM 387 NH2 ARG A 124 -9.849 14.603 20.054 1.00 0.00 N ATOM 0 H ARG A 124 -15.925 19.630 20.338 1.00 0.00 H new ATOM 0 HA ARG A 124 -15.955 17.324 18.694 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -14.037 18.997 19.363 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -13.797 17.950 20.747 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -13.850 16.012 18.883 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -13.414 17.325 17.808 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -11.411 17.837 19.084 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -11.922 16.833 20.426 1.00 0.00 H new ATOM 0 HE ARG A 124 -11.019 15.767 17.729 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -12.768 13.802 19.063 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.659 12.908 20.107 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -9.166 15.356 19.971 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -9.636 13.780 20.617 1.00 0.00 H new ATOM 401 N SER A 125 -16.285 16.689 21.869 1.00 0.00 N ATOM 402 CA SER A 125 -16.539 15.581 22.836 1.00 0.00 C ATOM 403 C SER A 125 -18.048 15.430 23.049 1.00 0.00 C ATOM 404 O SER A 125 -18.514 15.258 24.160 1.00 0.00 O ATOM 405 CB SER A 125 -15.861 15.905 24.168 1.00 0.00 C ATOM 406 OG SER A 125 -16.492 17.036 24.755 1.00 0.00 O ATOM 0 H SER A 125 -16.435 17.628 22.239 1.00 0.00 H new ATOM 0 HA SER A 125 -16.134 14.649 22.442 1.00 0.00 H new ATOM 0 HB2 SER A 125 -15.926 15.049 24.840 1.00 0.00 H new ATOM 0 HB3 SER A 125 -14.802 16.107 24.010 1.00 0.00 H new ATOM 0 HG SER A 125 -16.060 17.245 25.610 1.00 0.00 H new ATOM 412 N HIS A 126 -18.813 15.495 21.988 1.00 0.00 N ATOM 413 CA HIS A 126 -20.294 15.360 22.119 1.00 0.00 C ATOM 414 C HIS A 126 -20.844 14.526 20.957 1.00 0.00 C ATOM 415 O HIS A 126 -21.218 13.381 21.129 1.00 0.00 O ATOM 416 CB HIS A 126 -20.935 16.748 22.091 1.00 0.00 C ATOM 417 CG HIS A 126 -21.033 17.287 23.490 1.00 0.00 C ATOM 418 ND1 HIS A 126 -21.467 16.512 24.553 1.00 0.00 N ATOM 419 CD2 HIS A 126 -20.761 18.524 24.014 1.00 0.00 C ATOM 420 CE1 HIS A 126 -21.447 17.286 25.654 1.00 0.00 C ATOM 421 NE2 HIS A 126 -21.024 18.523 25.380 1.00 0.00 N ATOM 0 H HIS A 126 -18.474 15.636 21.036 1.00 0.00 H new ATOM 0 HA HIS A 126 -20.527 14.865 23.062 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -20.342 17.421 21.472 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -21.927 16.693 21.642 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -20.397 19.371 23.451 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -21.737 16.948 26.638 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -20.917 19.300 26.032 1.00 0.00 H new ATOM 508 N TYR A 132 -11.994 6.882 12.609 1.00 0.00 N ATOM 509 CA TYR A 132 -10.946 5.884 12.239 1.00 0.00 C ATOM 510 C TYR A 132 -11.196 4.562 12.994 1.00 0.00 C ATOM 511 O TYR A 132 -10.476 4.246 13.923 1.00 0.00 O ATOM 512 CB TYR A 132 -9.564 6.439 12.601 1.00 0.00 C ATOM 513 CG TYR A 132 -9.342 7.748 11.882 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.014 7.750 10.521 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.466 8.957 12.575 1.00 0.00 C ATOM 516 CE1 TYR A 132 -8.809 8.963 9.853 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.260 10.170 11.907 1.00 0.00 C ATOM 518 CZ TYR A 132 -8.932 10.174 10.546 1.00 0.00 C ATOM 519 OH TYR A 132 -8.729 11.370 9.888 1.00 0.00 O ATOM 0 HA TYR A 132 -10.988 5.693 11.167 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.491 6.587 13.678 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -8.789 5.724 12.324 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -8.919 6.816 9.987 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.720 8.955 13.625 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -8.556 8.965 8.803 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -9.354 11.103 12.442 1.00 0.00 H new ATOM 0 HH TYR A 132 -8.854 12.113 10.514 1.00 0.00 H new ATOM 529 N PRO A 133 -12.205 3.816 12.578 1.00 0.00 N ATOM 530 CA PRO A 133 -12.536 2.528 13.218 1.00 0.00 C ATOM 531 C PRO A 133 -11.568 1.437 12.747 1.00 0.00 C ATOM 532 O PRO A 133 -11.175 1.401 11.596 1.00 0.00 O ATOM 533 CB PRO A 133 -13.960 2.237 12.735 1.00 0.00 C ATOM 534 CG PRO A 133 -14.152 3.043 11.430 1.00 0.00 C ATOM 535 CD PRO A 133 -13.106 4.172 11.452 1.00 0.00 C ATOM 0 HA PRO A 133 -12.460 2.558 14.305 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.099 1.171 12.557 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.693 2.533 13.486 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.015 2.405 10.557 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.161 3.451 11.372 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.562 4.228 10.509 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.573 5.144 11.609 1.00 0.00 H new ATOM 543 N CYS A 134 -11.186 0.548 13.629 1.00 0.00 N ATOM 544 CA CYS A 134 -10.246 -0.544 13.241 1.00 0.00 C ATOM 545 C CYS A 134 -10.998 -1.596 12.423 1.00 0.00 C ATOM 546 O CYS A 134 -12.196 -1.757 12.556 1.00 0.00 O ATOM 547 CB CYS A 134 -9.678 -1.198 14.502 1.00 0.00 C ATOM 548 SG CYS A 134 -8.335 -2.325 14.051 1.00 0.00 S ATOM 0 H CYS A 134 -11.486 0.533 14.604 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.433 -0.129 12.645 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.310 -0.433 15.186 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.463 -1.743 15.026 1.00 0.00 H new ATOM 0 HG CYS A 134 -8.175 -3.208 14.992 1.00 0.00 H new ATOM 553 N GLY A 135 -10.300 -2.312 11.578 1.00 0.00 N ATOM 554 CA GLY A 135 -10.964 -3.360 10.747 1.00 0.00 C ATOM 555 C GLY A 135 -10.412 -4.735 11.127 1.00 0.00 C ATOM 556 O GLY A 135 -10.342 -5.630 10.306 1.00 0.00 O ATOM 0 H GLY A 135 -9.296 -2.215 11.428 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.043 -3.333 10.902 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -10.789 -3.165 9.689 1.00 0.00 H new ATOM 560 N LEU A 136 -10.019 -4.904 12.363 1.00 0.00 N ATOM 561 CA LEU A 136 -9.464 -6.220 12.804 1.00 0.00 C ATOM 562 C LEU A 136 -10.075 -6.598 14.157 1.00 0.00 C ATOM 563 O LEU A 136 -10.501 -7.719 14.365 1.00 0.00 O ATOM 564 CB LEU A 136 -7.938 -6.122 12.945 1.00 0.00 C ATOM 565 CG LEU A 136 -7.339 -5.413 11.723 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.848 -5.167 11.956 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.519 -6.289 10.481 1.00 0.00 C ATOM 0 H LEU A 136 -10.058 -4.187 13.087 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.708 -6.981 12.062 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.683 -5.575 13.853 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.509 -7.119 13.043 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.848 -4.461 11.573 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.422 -4.663 11.088 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.716 -4.542 12.839 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.341 -6.120 12.107 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.093 -5.784 9.614 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.011 -7.242 10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.581 -6.466 10.312 1.00 0.00 H new ATOM 579 N CYS A 137 -10.118 -5.667 15.075 1.00 0.00 N ATOM 580 CA CYS A 137 -10.699 -5.955 16.422 1.00 0.00 C ATOM 581 C CYS A 137 -11.998 -5.160 16.633 1.00 0.00 C ATOM 582 O CYS A 137 -12.679 -5.330 17.627 1.00 0.00 O ATOM 583 CB CYS A 137 -9.682 -5.563 17.495 1.00 0.00 C ATOM 584 SG CYS A 137 -9.234 -3.816 17.320 1.00 0.00 S ATOM 0 H CYS A 137 -9.774 -4.715 14.949 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.929 -7.018 16.491 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -10.100 -5.742 18.486 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.791 -6.185 17.408 1.00 0.00 H new ATOM 0 HG CYS A 137 -7.940 -3.701 17.287 1.00 0.00 H new ATOM 589 N ASN A 138 -12.338 -4.287 15.713 1.00 0.00 N ATOM 590 CA ASN A 138 -13.585 -3.461 15.843 1.00 0.00 C ATOM 591 C ASN A 138 -13.381 -2.376 16.905 1.00 0.00 C ATOM 592 O ASN A 138 -14.327 -1.905 17.510 1.00 0.00 O ATOM 593 CB ASN A 138 -14.787 -4.338 16.226 1.00 0.00 C ATOM 594 CG ASN A 138 -16.079 -3.670 15.754 1.00 0.00 C ATOM 595 OD1 ASN A 138 -16.482 -3.832 14.619 1.00 0.00 O ATOM 596 ND2 ASN A 138 -16.752 -2.919 16.583 1.00 0.00 N ATOM 0 H ASN A 138 -11.798 -4.109 14.866 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.789 -2.996 14.879 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.689 -5.325 15.773 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.814 -4.484 17.306 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.615 -2.469 16.278 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.415 -2.782 17.536 1.00 0.00 H new ATOM 603 N ARG A 139 -12.156 -1.966 17.125 1.00 0.00 N ATOM 604 CA ARG A 139 -11.884 -0.900 18.133 1.00 0.00 C ATOM 605 C ARG A 139 -12.283 0.455 17.542 1.00 0.00 C ATOM 606 O ARG A 139 -12.875 0.522 16.482 1.00 0.00 O ATOM 607 CB ARG A 139 -10.390 -0.893 18.473 1.00 0.00 C ATOM 608 CG ARG A 139 -10.127 -1.839 19.648 1.00 0.00 C ATOM 609 CD ARG A 139 -10.342 -1.097 20.972 1.00 0.00 C ATOM 610 NE ARG A 139 -11.647 -1.505 21.563 1.00 0.00 N ATOM 611 CZ ARG A 139 -11.684 -2.061 22.744 1.00 0.00 C ATOM 612 NH1 ARG A 139 -10.809 -2.976 23.062 1.00 0.00 N ATOM 613 NH2 ARG A 139 -12.596 -1.702 23.605 1.00 0.00 N ATOM 0 H ARG A 139 -11.331 -2.327 16.647 1.00 0.00 H new ATOM 0 HA ARG A 139 -12.459 -1.089 19.040 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.808 -1.204 17.605 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.069 0.117 18.727 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -10.794 -2.699 19.590 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.108 -2.222 19.597 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.531 -1.323 21.664 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -10.327 -0.020 20.804 1.00 0.00 H new ATOM 0 HE ARG A 139 -12.512 -1.350 21.045 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -10.097 -3.257 22.388 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -10.838 -3.410 23.984 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -13.280 -0.987 23.356 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -12.625 -2.136 24.528 1.00 0.00 H new ATOM 627 N ALA A 140 -11.971 1.533 18.219 1.00 0.00 N ATOM 628 CA ALA A 140 -12.339 2.881 17.692 1.00 0.00 C ATOM 629 C ALA A 140 -11.226 3.886 18.004 1.00 0.00 C ATOM 630 O ALA A 140 -10.718 3.940 19.107 1.00 0.00 O ATOM 631 CB ALA A 140 -13.640 3.343 18.349 1.00 0.00 C ATOM 0 H ALA A 140 -11.478 1.536 19.112 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.473 2.820 16.612 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -13.911 4.327 17.966 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.435 2.633 18.121 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -13.502 3.399 19.429 1.00 0.00 H new ATOM 637 N PHE A 141 -10.851 4.684 17.036 1.00 0.00 N ATOM 638 CA PHE A 141 -9.777 5.697 17.259 1.00 0.00 C ATOM 639 C PHE A 141 -10.201 7.028 16.635 1.00 0.00 C ATOM 640 O PHE A 141 -10.773 7.063 15.562 1.00 0.00 O ATOM 641 CB PHE A 141 -8.477 5.223 16.608 1.00 0.00 C ATOM 642 CG PHE A 141 -8.075 3.890 17.190 1.00 0.00 C ATOM 643 CD1 PHE A 141 -8.536 2.704 16.607 1.00 0.00 C ATOM 644 CD2 PHE A 141 -7.241 3.839 18.314 1.00 0.00 C ATOM 645 CE1 PHE A 141 -8.162 1.468 17.146 1.00 0.00 C ATOM 646 CE2 PHE A 141 -6.868 2.602 18.853 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.329 1.417 18.268 1.00 0.00 C ATOM 0 H PHE A 141 -11.246 4.676 16.096 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.618 5.826 18.330 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.610 5.135 15.530 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.688 5.956 16.773 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -9.180 2.743 15.741 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.886 4.754 18.765 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -8.517 0.553 16.695 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.225 2.562 19.720 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.041 0.463 18.683 1.00 0.00 H new ATOM 657 N THR A 142 -9.928 8.122 17.301 1.00 0.00 N ATOM 658 CA THR A 142 -10.317 9.455 16.752 1.00 0.00 C ATOM 659 C THR A 142 -9.179 10.023 15.897 1.00 0.00 C ATOM 660 O THR A 142 -9.406 10.819 15.005 1.00 0.00 O ATOM 661 CB THR A 142 -10.619 10.418 17.906 1.00 0.00 C ATOM 662 OG1 THR A 142 -10.846 11.719 17.385 1.00 0.00 O ATOM 663 CG2 THR A 142 -9.438 10.455 18.878 1.00 0.00 C ATOM 0 H THR A 142 -9.452 8.148 18.203 1.00 0.00 H new ATOM 0 HA THR A 142 -11.206 9.338 16.132 1.00 0.00 H new ATOM 0 HB THR A 142 -11.507 10.075 18.438 1.00 0.00 H new ATOM 0 HG1 THR A 142 -10.300 12.368 17.876 1.00 0.00 H new ATOM 0 HG21 THR A 142 -9.661 11.141 19.695 1.00 0.00 H new ATOM 0 HG22 THR A 142 -9.266 9.456 19.280 1.00 0.00 H new ATOM 0 HG23 THR A 142 -8.545 10.794 18.353 1.00 0.00 H new ATOM 671 N ARG A 143 -7.959 9.624 16.163 1.00 0.00 N ATOM 672 CA ARG A 143 -6.807 10.144 15.366 1.00 0.00 C ATOM 673 C ARG A 143 -6.415 9.119 14.301 1.00 0.00 C ATOM 674 O ARG A 143 -6.482 7.924 14.522 1.00 0.00 O ATOM 675 CB ARG A 143 -5.618 10.395 16.295 1.00 0.00 C ATOM 676 CG ARG A 143 -6.006 11.432 17.352 1.00 0.00 C ATOM 677 CD ARG A 143 -5.960 12.832 16.738 1.00 0.00 C ATOM 678 NE ARG A 143 -7.050 13.665 17.321 1.00 0.00 N ATOM 679 CZ ARG A 143 -6.835 14.350 18.410 1.00 0.00 C ATOM 680 NH1 ARG A 143 -6.424 13.745 19.491 1.00 0.00 N ATOM 681 NH2 ARG A 143 -7.031 15.640 18.418 1.00 0.00 N ATOM 0 H ARG A 143 -7.712 8.961 16.898 1.00 0.00 H new ATOM 0 HA ARG A 143 -7.094 11.077 14.881 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.316 9.465 16.776 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.762 10.749 15.720 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -7.006 11.223 17.731 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -5.325 11.374 18.201 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -4.992 13.294 16.931 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -6.074 12.770 15.656 1.00 0.00 H new ATOM 0 HE ARG A 143 -7.964 13.699 16.869 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -6.271 12.737 19.484 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -6.256 14.281 20.343 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -7.352 16.112 17.573 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -6.863 16.176 19.269 1.00 0.00 H new ATOM 695 N ARG A 144 -6.001 9.581 13.147 1.00 0.00 N ATOM 696 CA ARG A 144 -5.597 8.644 12.058 1.00 0.00 C ATOM 697 C ARG A 144 -4.273 7.975 12.431 1.00 0.00 C ATOM 698 O ARG A 144 -4.092 6.787 12.239 1.00 0.00 O ATOM 699 CB ARG A 144 -5.427 9.421 10.752 1.00 0.00 C ATOM 700 CG ARG A 144 -5.230 8.441 9.594 1.00 0.00 C ATOM 701 CD ARG A 144 -4.642 9.182 8.392 1.00 0.00 C ATOM 702 NE ARG A 144 -3.948 8.210 7.500 1.00 0.00 N ATOM 703 CZ ARG A 144 -4.108 8.281 6.207 1.00 0.00 C ATOM 704 NH1 ARG A 144 -5.306 8.403 5.704 1.00 0.00 N ATOM 705 NH2 ARG A 144 -3.071 8.231 5.418 1.00 0.00 N ATOM 0 H ARG A 144 -5.926 10.571 12.913 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.366 7.883 11.928 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.304 10.043 10.570 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.570 10.091 10.824 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.565 7.633 9.897 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.182 7.985 9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -5.433 9.694 7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -3.942 9.946 8.729 1.00 0.00 H new ATOM 0 HE ARG A 144 -3.348 7.489 7.901 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -6.117 8.443 6.322 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -5.432 8.459 4.693 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -2.135 8.136 5.812 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -3.196 8.286 4.407 1.00 0.00 H new ATOM 719 N ASP A 145 -3.348 8.731 12.967 1.00 0.00 N ATOM 720 CA ASP A 145 -2.030 8.151 13.361 1.00 0.00 C ATOM 721 C ASP A 145 -2.241 7.075 14.431 1.00 0.00 C ATOM 722 O ASP A 145 -1.463 6.147 14.550 1.00 0.00 O ATOM 723 CB ASP A 145 -1.132 9.258 13.920 1.00 0.00 C ATOM 724 CG ASP A 145 -1.862 9.986 15.049 1.00 0.00 C ATOM 725 OD1 ASP A 145 -2.087 9.368 16.077 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.182 11.149 14.868 1.00 0.00 O ATOM 0 H ASP A 145 -3.451 9.729 13.149 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.556 7.704 12.487 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.200 8.832 14.291 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.869 9.961 13.130 1.00 0.00 H new ATOM 731 N LEU A 146 -3.288 7.195 15.209 1.00 0.00 N ATOM 732 CA LEU A 146 -3.560 6.185 16.274 1.00 0.00 C ATOM 733 C LEU A 146 -3.914 4.842 15.636 1.00 0.00 C ATOM 734 O LEU A 146 -3.368 3.815 15.988 1.00 0.00 O ATOM 735 CB LEU A 146 -4.734 6.656 17.131 1.00 0.00 C ATOM 736 CG LEU A 146 -4.214 7.475 18.313 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.397 8.058 19.089 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.395 6.571 19.239 1.00 0.00 C ATOM 0 H LEU A 146 -3.968 7.953 15.151 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.671 6.070 16.894 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.416 7.258 16.531 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.300 5.798 17.492 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.585 8.285 17.944 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -5.027 8.642 19.932 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -5.982 8.701 18.431 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.026 7.247 19.457 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -3.024 7.154 20.082 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -4.025 5.761 19.607 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.552 6.153 18.688 1.00 0.00 H new ATOM 750 N LEU A 147 -4.835 4.844 14.707 1.00 0.00 N ATOM 751 CA LEU A 147 -5.251 3.570 14.038 1.00 0.00 C ATOM 752 C LEU A 147 -4.033 2.853 13.440 1.00 0.00 C ATOM 753 O LEU A 147 -3.930 1.643 13.501 1.00 0.00 O ATOM 754 CB LEU A 147 -6.249 3.887 12.921 1.00 0.00 C ATOM 755 CG LEU A 147 -7.197 2.701 12.728 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.278 3.071 11.713 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.408 1.495 12.213 1.00 0.00 C ATOM 0 H LEU A 147 -5.321 5.679 14.379 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.714 2.919 14.780 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.817 4.783 13.171 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.717 4.095 11.993 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.663 2.451 13.681 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.953 2.226 11.576 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.841 3.930 12.078 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -7.812 3.321 10.760 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.083 0.650 12.076 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -5.941 1.745 11.260 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.637 1.229 12.936 1.00 0.00 H new ATOM 769 N ILE A 148 -3.115 3.590 12.866 1.00 0.00 N ATOM 770 CA ILE A 148 -1.908 2.949 12.265 1.00 0.00 C ATOM 771 C ILE A 148 -1.084 2.284 13.370 1.00 0.00 C ATOM 772 O ILE A 148 -0.752 1.120 13.289 1.00 0.00 O ATOM 773 CB ILE A 148 -1.058 4.009 11.556 1.00 0.00 C ATOM 774 CG1 ILE A 148 -1.912 4.732 10.511 1.00 0.00 C ATOM 775 CG2 ILE A 148 0.128 3.334 10.859 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.304 6.105 10.216 1.00 0.00 C ATOM 0 H ILE A 148 -3.150 4.606 12.788 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.220 2.197 11.540 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.690 4.726 12.290 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -1.964 4.141 9.596 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -2.933 4.845 10.875 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.732 4.089 10.355 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.738 2.816 11.599 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.241 2.616 10.126 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -1.912 6.620 9.472 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.275 6.695 11.132 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.291 5.980 9.833 1.00 0.00 H new ATOM 788 N ARG A 149 -0.758 3.019 14.403 1.00 0.00 N ATOM 789 CA ARG A 149 0.043 2.441 15.524 1.00 0.00 C ATOM 790 C ARG A 149 -0.714 1.265 16.161 1.00 0.00 C ATOM 791 O ARG A 149 -0.129 0.438 16.835 1.00 0.00 O ATOM 792 CB ARG A 149 0.285 3.527 16.580 1.00 0.00 C ATOM 793 CG ARG A 149 1.182 2.981 17.699 1.00 0.00 C ATOM 794 CD ARG A 149 0.332 2.652 18.929 1.00 0.00 C ATOM 795 NE ARG A 149 -0.310 3.896 19.437 1.00 0.00 N ATOM 796 CZ ARG A 149 0.404 4.788 20.069 1.00 0.00 C ATOM 797 NH1 ARG A 149 0.898 4.513 21.245 1.00 0.00 N ATOM 798 NH2 ARG A 149 0.623 5.954 19.524 1.00 0.00 N ATOM 0 H ARG A 149 -1.014 4.000 14.518 1.00 0.00 H new ATOM 0 HA ARG A 149 0.996 2.080 15.138 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.754 4.396 16.119 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.666 3.860 16.995 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.704 2.087 17.356 1.00 0.00 H new ATOM 0 HG3 ARG A 149 1.944 3.716 17.958 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.430 1.916 18.671 1.00 0.00 H new ATOM 0 HD3 ARG A 149 0.954 2.208 19.706 1.00 0.00 H new ATOM 0 HE ARG A 149 -1.308 4.051 19.291 1.00 0.00 H new ATOM 0 HH11 ARG A 149 0.726 3.602 21.670 1.00 0.00 H new ATOM 0 HH12 ARG A 149 1.456 5.209 21.739 1.00 0.00 H new ATOM 0 HH21 ARG A 149 0.236 6.168 18.605 1.00 0.00 H new ATOM 0 HH22 ARG A 149 1.181 6.651 20.018 1.00 0.00 H new ATOM 812 N HIS A 150 -2.007 1.186 15.956 1.00 0.00 N ATOM 813 CA HIS A 150 -2.801 0.072 16.549 1.00 0.00 C ATOM 814 C HIS A 150 -2.552 -1.211 15.741 1.00 0.00 C ATOM 815 O HIS A 150 -2.286 -2.260 16.296 1.00 0.00 O ATOM 816 CB HIS A 150 -4.293 0.458 16.513 1.00 0.00 C ATOM 817 CG HIS A 150 -5.165 -0.716 16.888 1.00 0.00 C ATOM 818 ND1 HIS A 150 -5.358 -1.110 18.202 1.00 0.00 N ATOM 819 CD2 HIS A 150 -5.894 -1.591 16.123 1.00 0.00 C ATOM 820 CE1 HIS A 150 -6.174 -2.181 18.187 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.530 -2.515 16.945 1.00 0.00 N ATOM 0 H HIS A 150 -2.546 1.850 15.400 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.503 -0.105 17.582 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.475 1.285 17.200 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.558 0.808 15.515 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -4.956 -0.669 19.029 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -5.963 -1.566 15.046 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -6.501 -2.706 19.073 1.00 0.00 H new ATOM 829 N ALA A 151 -2.652 -1.135 14.438 1.00 0.00 N ATOM 830 CA ALA A 151 -2.436 -2.348 13.593 1.00 0.00 C ATOM 831 C ALA A 151 -0.943 -2.690 13.509 1.00 0.00 C ATOM 832 O ALA A 151 -0.582 -3.785 13.126 1.00 0.00 O ATOM 833 CB ALA A 151 -2.979 -2.092 12.185 1.00 0.00 C ATOM 0 H ALA A 151 -2.874 -0.284 13.922 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.962 -3.188 14.047 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.822 -2.977 11.568 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.045 -1.873 12.240 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.457 -1.244 11.742 1.00 0.00 H new ATOM 839 N GLN A 152 -0.075 -1.769 13.853 1.00 0.00 N ATOM 840 CA GLN A 152 1.391 -2.050 13.780 1.00 0.00 C ATOM 841 C GLN A 152 1.885 -2.623 15.113 1.00 0.00 C ATOM 842 O GLN A 152 2.878 -3.325 15.162 1.00 0.00 O ATOM 843 CB GLN A 152 2.145 -0.749 13.484 1.00 0.00 C ATOM 844 CG GLN A 152 1.534 -0.049 12.259 1.00 0.00 C ATOM 845 CD GLN A 152 2.506 -0.120 11.079 1.00 0.00 C ATOM 846 OE1 GLN A 152 2.152 -0.583 10.013 1.00 0.00 O ATOM 847 NE2 GLN A 152 3.725 0.321 11.226 1.00 0.00 N ATOM 0 H GLN A 152 -0.320 -0.835 14.181 1.00 0.00 H new ATOM 0 HA GLN A 152 1.573 -2.775 12.987 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.099 -0.088 14.350 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.198 -0.964 13.302 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.589 -0.523 11.992 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.313 0.991 12.497 1.00 0.00 H new ATOM 0 HE21 GLN A 152 4.022 0.710 12.121 1.00 0.00 H new ATOM 0 HE22 GLN A 152 4.381 0.277 10.446 1.00 0.00 H new ATOM 856 N LYS A 153 1.210 -2.318 16.195 1.00 0.00 N ATOM 857 CA LYS A 153 1.651 -2.829 17.528 1.00 0.00 C ATOM 858 C LYS A 153 0.975 -4.167 17.835 1.00 0.00 C ATOM 859 O LYS A 153 1.631 -5.149 18.126 1.00 0.00 O ATOM 860 CB LYS A 153 1.271 -1.814 18.607 1.00 0.00 C ATOM 861 CG LYS A 153 2.145 -0.568 18.468 1.00 0.00 C ATOM 862 CD LYS A 153 3.426 -0.747 19.285 1.00 0.00 C ATOM 863 CE LYS A 153 4.532 -1.309 18.388 1.00 0.00 C ATOM 864 NZ LYS A 153 5.863 -0.936 18.948 1.00 0.00 N ATOM 0 H LYS A 153 0.372 -1.737 16.211 1.00 0.00 H new ATOM 0 HA LYS A 153 2.731 -2.973 17.513 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.219 -1.545 18.513 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.401 -2.253 19.596 1.00 0.00 H new ATOM 0 HG2 LYS A 153 2.391 -0.399 17.420 1.00 0.00 H new ATOM 0 HG3 LYS A 153 1.601 0.311 18.814 1.00 0.00 H new ATOM 0 HD2 LYS A 153 3.737 0.209 19.707 1.00 0.00 H new ATOM 0 HD3 LYS A 153 3.245 -1.421 20.122 1.00 0.00 H new ATOM 0 HE2 LYS A 153 4.445 -2.393 18.321 1.00 0.00 H new ATOM 0 HE3 LYS A 153 4.428 -0.917 17.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 6.615 -1.317 18.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 5.944 0.100 18.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 5.960 -1.330 19.906 1.00 0.00 H new ATOM 878 N ILE A 154 -0.332 -4.207 17.789 1.00 0.00 N ATOM 879 CA ILE A 154 -1.060 -5.475 18.095 1.00 0.00 C ATOM 880 C ILE A 154 -1.171 -6.334 16.832 1.00 0.00 C ATOM 881 O ILE A 154 -0.700 -7.456 16.796 1.00 0.00 O ATOM 882 CB ILE A 154 -2.462 -5.141 18.617 1.00 0.00 C ATOM 883 CG1 ILE A 154 -2.346 -4.208 19.827 1.00 0.00 C ATOM 884 CG2 ILE A 154 -3.175 -6.427 19.039 1.00 0.00 C ATOM 885 CD1 ILE A 154 -2.413 -2.750 19.366 1.00 0.00 C ATOM 0 H ILE A 154 -0.928 -3.414 17.552 1.00 0.00 H new ATOM 0 HA ILE A 154 -0.510 -6.032 18.854 1.00 0.00 H new ATOM 0 HB ILE A 154 -3.033 -4.652 17.828 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -3.150 -4.413 20.534 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -1.407 -4.391 20.350 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -4.171 -6.186 19.410 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -3.259 -7.095 18.182 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -2.604 -6.918 19.827 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -2.330 -2.091 20.230 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -1.594 -2.549 18.676 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -3.363 -2.571 18.863 1.00 0.00 H new ATOM 897 N HIS A 155 -1.795 -5.821 15.802 1.00 0.00 N ATOM 898 CA HIS A 155 -1.945 -6.612 14.542 1.00 0.00 C ATOM 899 C HIS A 155 -0.631 -6.619 13.742 1.00 0.00 C ATOM 900 O HIS A 155 -0.546 -7.250 12.707 1.00 0.00 O ATOM 901 CB HIS A 155 -3.057 -6.001 13.685 1.00 0.00 C ATOM 902 CG HIS A 155 -4.316 -5.875 14.502 1.00 0.00 C ATOM 903 ND1 HIS A 155 -5.108 -6.969 14.814 1.00 0.00 N ATOM 904 CD2 HIS A 155 -4.934 -4.790 15.077 1.00 0.00 C ATOM 905 CE1 HIS A 155 -6.146 -6.524 15.546 1.00 0.00 C ATOM 906 NE2 HIS A 155 -6.088 -5.203 15.735 1.00 0.00 N ATOM 0 H HIS A 155 -2.207 -4.888 15.779 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.199 -7.639 14.806 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.750 -5.021 13.318 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.240 -6.625 12.811 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.578 -3.772 15.026 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.930 -7.158 15.933 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -6.748 -4.622 16.251 1.00 0.00 H new