USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 468 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 16 ASN : amide:sc= -1.15 X(o=-3.2,f=-3.4) USER MOD Set 1.2: B 16 ASN : amide:sc= -2.01! C(o=-3.2!,f=-5.5!) USER MOD Set 2.1: B 3 GLN : amide:sc= -0.735 K(o=-0.74,f=-2.8!) USER MOD Set 2.2: B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ -116:sc= 0.0844 (180deg=-0.183) USER MOD Single : A 4 GLN : amide:sc= -0.522 K(o=-0.52,f=-2.3!) USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0313) USER MOD Single : A 11 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00018 K(o=-0.00018,f=-2.6!) USER MOD Single : A 21 GLN : amide:sc= -1.47! C(o=-1.5!,f=-4.3!) USER MOD Single : A 25 GLN : amide:sc= -0.0588 X(o=-0.059,f=-0.08) USER MOD Single : B 1 GLU N :NH3+ 139:sc= 0.0055 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 164:sc= -0.0357 (180deg=-0.261) USER MOD Single : B 10 GLN : amide:sc= -0.0854 X(o=-0.085,f=-0.085) USER MOD Single : B 13 LYS NZ :NH3+ 167:sc= -0.0031 (180deg=-0.0759) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ -146:sc= 0.492 (180deg=-0.191) USER MOD Single : B 21 GLN : amide:sc= 0.103 X(o=0.1,f=-0.18) USER MOD Single : B 22 LYS NZ :NH3+ -144:sc= 1.28 (180deg=1.03) USER MOD Single : B 24 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : B 28 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.00097) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 7 N GLU A 1 -19.159 -0.822 -5.906 1.00 0.00 N ATOM 8 CA GLU A 1 -19.973 -1.602 -4.982 1.00 0.00 C ATOM 9 C GLU A 1 -19.149 -2.026 -3.769 1.00 0.00 C ATOM 10 O GLU A 1 -17.918 -2.050 -3.830 1.00 0.00 O ATOM 11 CB GLU A 1 -20.541 -2.835 -5.691 1.00 0.00 C ATOM 12 CG GLU A 1 -21.587 -3.573 -4.876 1.00 0.00 C ATOM 13 CD GLU A 1 -22.737 -2.672 -4.480 1.00 0.00 C ATOM 14 OE1 GLU A 1 -23.559 -2.331 -5.355 1.00 0.00 O ATOM 15 OE2 GLU A 1 -22.799 -2.273 -3.299 1.00 0.00 O ATOM 0 H1 GLU A 1 -19.537 0.145 -5.971 1.00 0.00 H new ATOM 0 H2 GLU A 1 -18.179 -0.788 -5.561 1.00 0.00 H new ATOM 0 H3 GLU A 1 -19.180 -1.266 -6.846 1.00 0.00 H new ATOM 0 HA GLU A 1 -20.799 -0.980 -4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -20.981 -2.528 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -19.725 -3.519 -5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -21.969 -4.415 -5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -21.124 -3.985 -3.979 1.00 0.00 H new ATOM 22 N VAL A 2 -19.832 -2.361 -2.673 1.00 0.00 N ATOM 23 CA VAL A 2 -19.169 -2.788 -1.442 1.00 0.00 C ATOM 24 C VAL A 2 -18.173 -3.913 -1.712 1.00 0.00 C ATOM 25 O VAL A 2 -17.010 -3.825 -1.328 1.00 0.00 O ATOM 26 CB VAL A 2 -20.181 -3.280 -0.384 1.00 0.00 C ATOM 27 CG1 VAL A 2 -19.497 -3.496 0.957 1.00 0.00 C ATOM 28 CG2 VAL A 2 -21.337 -2.307 -0.240 1.00 0.00 C ATOM 0 H VAL A 2 -20.850 -2.344 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.645 -1.912 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 2 -20.582 -4.235 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.229 -3.842 1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.711 -4.243 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -19.060 -2.557 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -22.034 -2.679 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.957 -1.333 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -21.852 -2.210 -1.196 1.00 0.00 H new ATOM 38 N ALA A 3 -18.641 -4.966 -2.379 1.00 0.00 N ATOM 39 CA ALA A 3 -17.798 -6.115 -2.703 1.00 0.00 C ATOM 40 C ALA A 3 -16.573 -5.692 -3.508 1.00 0.00 C ATOM 41 O ALA A 3 -15.466 -6.179 -3.274 1.00 0.00 O ATOM 42 CB ALA A 3 -18.601 -7.153 -3.470 1.00 0.00 C ATOM 0 H ALA A 3 -19.603 -5.047 -2.707 1.00 0.00 H new ATOM 0 HA ALA A 3 -17.449 -6.554 -1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -17.963 -8.005 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -19.441 -7.487 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -18.976 -6.713 -4.394 1.00 0.00 H new ATOM 48 N GLN A 4 -16.778 -4.773 -4.443 1.00 0.00 N ATOM 49 CA GLN A 4 -15.693 -4.264 -5.276 1.00 0.00 C ATOM 50 C GLN A 4 -14.660 -3.561 -4.415 1.00 0.00 C ATOM 51 O GLN A 4 -13.462 -3.836 -4.497 1.00 0.00 O ATOM 52 CB GLN A 4 -16.233 -3.269 -6.299 1.00 0.00 C ATOM 53 CG GLN A 4 -17.266 -3.856 -7.247 1.00 0.00 C ATOM 54 CD GLN A 4 -16.675 -4.900 -8.176 1.00 0.00 C ATOM 55 OE1 GLN A 4 -16.203 -5.946 -7.735 1.00 0.00 O ATOM 56 NE2 GLN A 4 -16.683 -4.619 -9.467 1.00 0.00 N ATOM 0 H GLN A 4 -17.690 -4.363 -4.645 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.234 -5.108 -5.791 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.678 -2.426 -5.771 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -15.401 -2.876 -6.883 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.073 -4.305 -6.667 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -17.707 -3.055 -7.840 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.084 -3.740 -9.795 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -16.288 -5.281 -10.135 1.00 0.00 H new ATOM 65 N LEU A 5 -15.153 -2.654 -3.590 1.00 0.00 N ATOM 66 CA LEU A 5 -14.318 -1.875 -2.693 1.00 0.00 C ATOM 67 C LEU A 5 -13.570 -2.773 -1.721 1.00 0.00 C ATOM 68 O LEU A 5 -12.402 -2.541 -1.434 1.00 0.00 O ATOM 69 CB LEU A 5 -15.182 -0.869 -1.947 1.00 0.00 C ATOM 70 CG LEU A 5 -15.785 0.221 -2.828 1.00 0.00 C ATOM 71 CD1 LEU A 5 -16.813 1.020 -2.056 1.00 0.00 C ATOM 72 CD2 LEU A 5 -14.695 1.137 -3.368 1.00 0.00 C ATOM 0 H LEU A 5 -16.147 -2.436 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.571 -1.340 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.990 -1.403 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.581 -0.399 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.282 -0.257 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.232 1.793 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.610 0.358 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.338 1.486 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.145 1.908 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.169 1.606 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.990 0.554 -3.961 1.00 0.00 H new ATOM 84 N GLU A 6 -14.239 -3.808 -1.237 1.00 0.00 N ATOM 85 CA GLU A 6 -13.621 -4.752 -0.316 1.00 0.00 C ATOM 86 C GLU A 6 -12.437 -5.443 -0.981 1.00 0.00 C ATOM 87 O GLU A 6 -11.389 -5.630 -0.362 1.00 0.00 O ATOM 88 CB GLU A 6 -14.640 -5.790 0.149 1.00 0.00 C ATOM 89 CG GLU A 6 -15.606 -5.261 1.192 1.00 0.00 C ATOM 90 CD GLU A 6 -14.971 -5.146 2.562 1.00 0.00 C ATOM 91 OE1 GLU A 6 -13.934 -4.465 2.696 1.00 0.00 O ATOM 92 OE2 GLU A 6 -15.503 -5.751 3.516 1.00 0.00 O ATOM 0 H GLU A 6 -15.211 -4.017 -1.466 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.263 -4.200 0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.206 -6.144 -0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.110 -6.650 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.972 -4.283 0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.471 -5.921 1.250 1.00 0.00 H new ATOM 99 N LYS A 7 -12.598 -5.799 -2.251 1.00 0.00 N ATOM 100 CA LYS A 7 -11.525 -6.445 -2.992 1.00 0.00 C ATOM 101 C LYS A 7 -10.408 -5.444 -3.259 1.00 0.00 C ATOM 102 O LYS A 7 -9.231 -5.793 -3.271 1.00 0.00 O ATOM 103 CB LYS A 7 -12.041 -7.027 -4.309 1.00 0.00 C ATOM 104 CG LYS A 7 -12.992 -8.196 -4.123 1.00 0.00 C ATOM 105 CD LYS A 7 -13.411 -8.791 -5.457 1.00 0.00 C ATOM 106 CE LYS A 7 -14.272 -10.029 -5.269 1.00 0.00 C ATOM 107 NZ LYS A 7 -15.579 -9.714 -4.633 1.00 0.00 N ATOM 0 H LYS A 7 -13.455 -5.652 -2.784 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.136 -7.267 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.548 -6.242 -4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.192 -7.352 -4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.512 -8.964 -3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.876 -7.864 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.963 -8.047 -6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.524 -9.048 -6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.445 -10.499 -6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.736 -10.752 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.179 -10.564 -4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.422 -9.400 -3.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.052 -8.957 -5.167 1.00 0.00 H new ATOM 121 N GLU A 8 -10.798 -4.194 -3.459 1.00 0.00 N ATOM 122 CA GLU A 8 -9.858 -3.117 -3.716 1.00 0.00 C ATOM 123 C GLU A 8 -9.062 -2.796 -2.453 1.00 0.00 C ATOM 124 O GLU A 8 -7.838 -2.657 -2.494 1.00 0.00 O ATOM 125 CB GLU A 8 -10.623 -1.887 -4.190 1.00 0.00 C ATOM 126 CG GLU A 8 -9.744 -0.771 -4.711 1.00 0.00 C ATOM 127 CD GLU A 8 -8.946 -1.184 -5.929 1.00 0.00 C ATOM 128 OE1 GLU A 8 -9.542 -1.732 -6.878 1.00 0.00 O ATOM 129 OE2 GLU A 8 -7.727 -0.944 -5.955 1.00 0.00 O ATOM 0 H GLU A 8 -11.774 -3.899 -3.447 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.156 -3.425 -4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.316 -2.185 -4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.223 -1.506 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.365 0.089 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.061 -0.453 -3.923 1.00 0.00 H new ATOM 136 N VAL A 9 -9.763 -2.701 -1.329 1.00 0.00 N ATOM 137 CA VAL A 9 -9.130 -2.424 -0.049 1.00 0.00 C ATOM 138 C VAL A 9 -8.165 -3.553 0.291 1.00 0.00 C ATOM 139 O VAL A 9 -7.032 -3.313 0.706 1.00 0.00 O ATOM 140 CB VAL A 9 -10.174 -2.252 1.089 1.00 0.00 C ATOM 141 CG1 VAL A 9 -9.496 -2.202 2.453 1.00 0.00 C ATOM 142 CG2 VAL A 9 -10.994 -0.985 0.877 1.00 0.00 C ATOM 0 H VAL A 9 -10.776 -2.813 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.587 -1.483 -0.136 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.838 -3.116 1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.251 -2.081 3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.947 -3.129 2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.804 -1.360 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.720 -0.882 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.332 -0.119 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.518 -1.046 -0.077 1.00 0.00 H new ATOM 152 N ALA A 10 -8.616 -4.786 0.075 1.00 0.00 N ATOM 153 CA ALA A 10 -7.793 -5.961 0.327 1.00 0.00 C ATOM 154 C ALA A 10 -6.609 -5.998 -0.634 1.00 0.00 C ATOM 155 O ALA A 10 -5.545 -6.532 -0.314 1.00 0.00 O ATOM 156 CB ALA A 10 -8.623 -7.231 0.200 1.00 0.00 C ATOM 0 H ALA A 10 -9.551 -4.996 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.409 -5.902 1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.992 -8.099 0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.437 -7.208 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.035 -7.297 -0.807 1.00 0.00 H new ATOM 162 N GLN A 11 -6.805 -5.413 -1.809 1.00 0.00 N ATOM 163 CA GLN A 11 -5.766 -5.351 -2.826 1.00 0.00 C ATOM 164 C GLN A 11 -4.672 -4.410 -2.361 1.00 0.00 C ATOM 165 O GLN A 11 -3.487 -4.741 -2.389 1.00 0.00 O ATOM 166 CB GLN A 11 -6.347 -4.840 -4.151 1.00 0.00 C ATOM 167 CG GLN A 11 -5.424 -5.028 -5.348 1.00 0.00 C ATOM 168 CD GLN A 11 -5.017 -6.474 -5.560 1.00 0.00 C ATOM 169 OE1 GLN A 11 -5.863 -7.360 -5.659 1.00 0.00 O ATOM 170 NE2 GLN A 11 -3.718 -6.725 -5.631 1.00 0.00 N ATOM 0 H GLN A 11 -7.683 -4.971 -2.082 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.359 -6.350 -2.982 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.287 -5.356 -4.346 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.580 -3.780 -4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.922 -4.661 -6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.529 -4.421 -5.209 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.046 -5.963 -5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.390 -7.680 -5.772 1.00 0.00 H new ATOM 179 N ALA A 12 -5.093 -3.228 -1.932 1.00 0.00 N ATOM 180 CA ALA A 12 -4.171 -2.214 -1.458 1.00 0.00 C ATOM 181 C ALA A 12 -3.490 -2.642 -0.169 1.00 0.00 C ATOM 182 O ALA A 12 -2.289 -2.475 -0.029 1.00 0.00 O ATOM 183 CB ALA A 12 -4.884 -0.891 -1.260 1.00 0.00 C ATOM 0 H ALA A 12 -6.074 -2.950 -1.904 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.402 -2.088 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.174 -0.145 -0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.311 -0.563 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.680 -1.013 -0.526 1.00 0.00 H new ATOM 189 N GLU A 13 -4.259 -3.192 0.768 1.00 0.00 N ATOM 190 CA GLU A 13 -3.714 -3.640 2.046 1.00 0.00 C ATOM 191 C GLU A 13 -2.613 -4.677 1.845 1.00 0.00 C ATOM 192 O GLU A 13 -1.556 -4.600 2.476 1.00 0.00 O ATOM 193 CB GLU A 13 -4.824 -4.217 2.918 1.00 0.00 C ATOM 194 CG GLU A 13 -5.642 -3.160 3.638 1.00 0.00 C ATOM 195 CD GLU A 13 -4.873 -2.470 4.748 1.00 0.00 C ATOM 196 OE1 GLU A 13 -3.767 -2.927 5.102 1.00 0.00 O ATOM 197 OE2 GLU A 13 -5.388 -1.476 5.297 1.00 0.00 O ATOM 0 H GLU A 13 -5.263 -3.338 0.665 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.277 -2.776 2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.488 -4.817 2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.384 -4.888 3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.977 -2.414 2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.536 -3.623 4.056 1.00 0.00 H new ATOM 204 N ALA A 14 -2.857 -5.636 0.953 1.00 0.00 N ATOM 205 CA ALA A 14 -1.874 -6.672 0.663 1.00 0.00 C ATOM 206 C ALA A 14 -0.637 -6.049 0.037 1.00 0.00 C ATOM 207 O ALA A 14 0.484 -6.279 0.491 1.00 0.00 O ATOM 208 CB ALA A 14 -2.463 -7.731 -0.257 1.00 0.00 C ATOM 0 H ALA A 14 -3.724 -5.715 0.422 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.591 -7.157 1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.712 -8.495 -0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.327 -8.190 0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.772 -7.268 -1.194 1.00 0.00 H new ATOM 214 N GLU A 15 -0.858 -5.240 -0.996 1.00 0.00 N ATOM 215 CA GLU A 15 0.215 -4.551 -1.687 1.00 0.00 C ATOM 216 C GLU A 15 1.009 -3.696 -0.703 1.00 0.00 C ATOM 217 O GLU A 15 2.237 -3.717 -0.689 1.00 0.00 O ATOM 218 CB GLU A 15 -0.390 -3.663 -2.769 1.00 0.00 C ATOM 219 CG GLU A 15 0.438 -3.586 -4.027 1.00 0.00 C ATOM 220 CD GLU A 15 -0.175 -2.673 -5.070 1.00 0.00 C ATOM 221 OE1 GLU A 15 -0.458 -1.499 -4.753 1.00 0.00 O ATOM 222 OE2 GLU A 15 -0.359 -3.119 -6.223 1.00 0.00 O ATOM 0 H GLU A 15 -1.786 -5.047 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 15 0.889 -5.280 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.382 -4.038 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.521 -2.657 -2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.438 -3.229 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.551 -4.586 -4.446 1.00 0.00 H new ATOM 229 N ASN A 16 0.277 -2.947 0.116 1.00 0.00 N ATOM 230 CA ASN A 16 0.850 -2.063 1.127 1.00 0.00 C ATOM 231 C ASN A 16 1.755 -2.837 2.070 1.00 0.00 C ATOM 232 O ASN A 16 2.861 -2.401 2.390 1.00 0.00 O ATOM 233 CB ASN A 16 -0.287 -1.410 1.919 1.00 0.00 C ATOM 234 CG ASN A 16 0.142 -0.217 2.745 1.00 0.00 C ATOM 235 OD1 ASN A 16 0.977 -0.328 3.643 1.00 0.00 O ATOM 236 ND2 ASN A 16 -0.445 0.934 2.456 1.00 0.00 N ATOM 0 H ASN A 16 -0.743 -2.936 0.097 1.00 0.00 H new ATOM 0 HA ASN A 16 1.449 -1.298 0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.066 -1.096 1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.730 -2.155 2.579 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.210 1.773 2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.132 0.981 1.703 1.00 0.00 H new ATOM 243 N TYR A 17 1.276 -3.999 2.499 1.00 0.00 N ATOM 244 CA TYR A 17 2.036 -4.862 3.395 1.00 0.00 C ATOM 245 C TYR A 17 3.369 -5.224 2.750 1.00 0.00 C ATOM 246 O TYR A 17 4.412 -5.218 3.404 1.00 0.00 O ATOM 247 CB TYR A 17 1.227 -6.130 3.716 1.00 0.00 C ATOM 248 CG TYR A 17 1.841 -7.031 4.774 1.00 0.00 C ATOM 249 CD1 TYR A 17 2.980 -7.785 4.512 1.00 0.00 C ATOM 250 CD2 TYR A 17 1.271 -7.129 6.037 1.00 0.00 C ATOM 251 CE1 TYR A 17 3.534 -8.604 5.478 1.00 0.00 C ATOM 252 CE2 TYR A 17 1.820 -7.947 7.009 1.00 0.00 C ATOM 253 CZ TYR A 17 2.950 -8.683 6.724 1.00 0.00 C ATOM 254 OH TYR A 17 3.500 -9.498 7.691 1.00 0.00 O ATOM 0 H TYR A 17 0.361 -4.366 2.239 1.00 0.00 H new ATOM 0 HA TYR A 17 2.231 -4.333 4.328 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.231 -5.834 4.045 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.101 -6.705 2.799 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.440 -7.730 3.536 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.384 -6.557 6.264 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.421 -9.180 5.257 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.365 -8.008 7.987 1.00 0.00 H new ATOM 0 HH TYR A 17 2.968 -9.437 8.511 1.00 0.00 H new ATOM 264 N GLN A 18 3.323 -5.522 1.457 1.00 0.00 N ATOM 265 CA GLN A 18 4.519 -5.878 0.705 1.00 0.00 C ATOM 266 C GLN A 18 5.449 -4.676 0.564 1.00 0.00 C ATOM 267 O GLN A 18 6.666 -4.806 0.692 1.00 0.00 O ATOM 268 CB GLN A 18 4.135 -6.408 -0.679 1.00 0.00 C ATOM 269 CG GLN A 18 3.260 -7.652 -0.637 1.00 0.00 C ATOM 270 CD GLN A 18 2.846 -8.131 -2.019 1.00 0.00 C ATOM 271 OE1 GLN A 18 2.116 -7.445 -2.737 1.00 0.00 O ATOM 272 NE2 GLN A 18 3.315 -9.306 -2.403 1.00 0.00 N ATOM 0 H GLN A 18 2.465 -5.524 0.905 1.00 0.00 H new ATOM 0 HA GLN A 18 5.046 -6.660 1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.611 -5.624 -1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.044 -6.633 -1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.798 -8.451 -0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.367 -7.442 -0.048 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.917 -9.844 -1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.075 -9.675 -3.323 1.00 0.00 H new ATOM 281 N LEU A 19 4.864 -3.513 0.301 1.00 0.00 N ATOM 282 CA LEU A 19 5.630 -2.282 0.138 1.00 0.00 C ATOM 283 C LEU A 19 6.402 -1.949 1.405 1.00 0.00 C ATOM 284 O LEU A 19 7.620 -1.795 1.372 1.00 0.00 O ATOM 285 CB LEU A 19 4.710 -1.112 -0.215 1.00 0.00 C ATOM 286 CG LEU A 19 3.790 -1.334 -1.412 1.00 0.00 C ATOM 287 CD1 LEU A 19 3.062 -0.055 -1.755 1.00 0.00 C ATOM 288 CD2 LEU A 19 4.567 -1.836 -2.614 1.00 0.00 C ATOM 0 H LEU A 19 3.856 -3.396 0.196 1.00 0.00 H new ATOM 0 HA LEU A 19 6.336 -2.442 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.095 -0.881 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.327 -0.235 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 19 3.059 -2.096 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.409 -0.226 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.465 0.264 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.787 0.721 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.885 -1.985 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.325 -1.103 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.050 -2.781 -2.366 1.00 0.00 H new ATOM 300 N GLU A 20 5.686 -1.844 2.519 1.00 0.00 N ATOM 301 CA GLU A 20 6.309 -1.534 3.798 1.00 0.00 C ATOM 302 C GLU A 20 7.338 -2.598 4.165 1.00 0.00 C ATOM 303 O GLU A 20 8.382 -2.291 4.738 1.00 0.00 O ATOM 304 CB GLU A 20 5.255 -1.418 4.897 1.00 0.00 C ATOM 305 CG GLU A 20 4.302 -0.247 4.712 1.00 0.00 C ATOM 306 CD GLU A 20 4.995 1.101 4.793 1.00 0.00 C ATOM 307 OE1 GLU A 20 5.630 1.392 5.832 1.00 0.00 O ATOM 308 OE2 GLU A 20 4.890 1.893 3.836 1.00 0.00 O ATOM 0 H GLU A 20 4.675 -1.969 2.561 1.00 0.00 H new ATOM 0 HA GLU A 20 6.818 -0.575 3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.678 -2.342 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.757 -1.318 5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.808 -0.338 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.524 -0.295 5.474 1.00 0.00 H new ATOM 315 N GLN A 21 7.042 -3.847 3.818 1.00 0.00 N ATOM 316 CA GLN A 21 7.944 -4.950 4.099 1.00 0.00 C ATOM 317 C GLN A 21 9.245 -4.775 3.323 1.00 0.00 C ATOM 318 O GLN A 21 10.336 -4.948 3.868 1.00 0.00 O ATOM 319 CB GLN A 21 7.283 -6.277 3.723 1.00 0.00 C ATOM 320 CG GLN A 21 7.947 -7.493 4.346 1.00 0.00 C ATOM 321 CD GLN A 21 7.819 -7.515 5.857 1.00 0.00 C ATOM 322 OE1 GLN A 21 8.264 -6.596 6.543 1.00 0.00 O ATOM 323 NE2 GLN A 21 7.208 -8.562 6.389 1.00 0.00 N ATOM 0 H GLN A 21 6.182 -4.117 3.341 1.00 0.00 H new ATOM 0 HA GLN A 21 8.169 -4.957 5.165 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.237 -6.250 4.028 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.296 -6.384 2.638 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.500 -8.398 3.934 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.002 -7.506 4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.852 -9.305 5.787 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.093 -8.626 7.401 1.00 0.00 H new ATOM 332 N GLU A 22 9.118 -4.423 2.050 1.00 0.00 N ATOM 333 CA GLU A 22 10.269 -4.213 1.191 1.00 0.00 C ATOM 334 C GLU A 22 11.033 -2.975 1.639 1.00 0.00 C ATOM 335 O GLU A 22 12.262 -2.982 1.696 1.00 0.00 O ATOM 336 CB GLU A 22 9.817 -4.070 -0.262 1.00 0.00 C ATOM 337 CG GLU A 22 10.956 -4.073 -1.267 1.00 0.00 C ATOM 338 CD GLU A 22 11.703 -5.392 -1.324 1.00 0.00 C ATOM 339 OE1 GLU A 22 11.333 -6.334 -0.590 1.00 0.00 O ATOM 340 OE2 GLU A 22 12.662 -5.502 -2.118 1.00 0.00 O ATOM 0 H GLU A 22 8.220 -4.277 1.589 1.00 0.00 H new ATOM 0 HA GLU A 22 10.932 -5.075 1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.133 -4.885 -0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.256 -3.142 -0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.559 -3.845 -2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.657 -3.277 -1.014 1.00 0.00 H new ATOM 347 N VAL A 23 10.295 -1.921 1.980 1.00 0.00 N ATOM 348 CA VAL A 23 10.901 -0.682 2.451 1.00 0.00 C ATOM 349 C VAL A 23 11.733 -0.950 3.699 1.00 0.00 C ATOM 350 O VAL A 23 12.882 -0.519 3.791 1.00 0.00 O ATOM 351 CB VAL A 23 9.836 0.402 2.757 1.00 0.00 C ATOM 352 CG1 VAL A 23 10.428 1.543 3.579 1.00 0.00 C ATOM 353 CG2 VAL A 23 9.241 0.948 1.468 1.00 0.00 C ATOM 0 H VAL A 23 9.276 -1.902 1.938 1.00 0.00 H new ATOM 0 HA VAL A 23 11.542 -0.306 1.653 1.00 0.00 H new ATOM 0 HB VAL A 23 9.046 -0.069 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.657 2.287 3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 23 10.807 1.153 4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.244 2.006 3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.496 1.707 1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 23 10.031 1.391 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.769 0.137 0.913 1.00 0.00 H new ATOM 363 N ALA A 24 11.151 -1.684 4.643 1.00 0.00 N ATOM 364 CA ALA A 24 11.837 -2.032 5.878 1.00 0.00 C ATOM 365 C ALA A 24 13.088 -2.836 5.576 1.00 0.00 C ATOM 366 O ALA A 24 14.158 -2.557 6.104 1.00 0.00 O ATOM 367 CB ALA A 24 10.915 -2.823 6.794 1.00 0.00 C ATOM 0 H ALA A 24 10.201 -2.050 4.573 1.00 0.00 H new ATOM 0 HA ALA A 24 12.125 -1.111 6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.444 -3.075 7.713 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.037 -2.223 7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.602 -3.739 6.293 1.00 0.00 H new ATOM 373 N GLN A 25 12.939 -3.831 4.712 1.00 0.00 N ATOM 374 CA GLN A 25 14.045 -4.694 4.314 1.00 0.00 C ATOM 375 C GLN A 25 15.186 -3.864 3.722 1.00 0.00 C ATOM 376 O GLN A 25 16.346 -4.045 4.087 1.00 0.00 O ATOM 377 CB GLN A 25 13.538 -5.726 3.299 1.00 0.00 C ATOM 378 CG GLN A 25 14.286 -7.056 3.304 1.00 0.00 C ATOM 379 CD GLN A 25 15.652 -6.983 2.656 1.00 0.00 C ATOM 380 OE1 GLN A 25 15.781 -6.574 1.502 1.00 0.00 O ATOM 381 NE2 GLN A 25 16.677 -7.402 3.381 1.00 0.00 N ATOM 0 H GLN A 25 12.051 -4.063 4.268 1.00 0.00 H new ATOM 0 HA GLN A 25 14.433 -5.215 5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 25 12.483 -5.919 3.495 1.00 0.00 H new ATOM 0 HB3 GLN A 25 13.603 -5.294 2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 25 14.399 -7.397 4.333 1.00 0.00 H new ATOM 0 HG3 GLN A 25 13.686 -7.803 2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 25 16.526 -7.733 4.334 1.00 0.00 H new ATOM 0 HE22 GLN A 25 17.618 -7.394 2.987 1.00 0.00 H new ATOM 390 N LEU A 26 14.848 -2.948 2.820 1.00 0.00 N ATOM 391 CA LEU A 26 15.853 -2.096 2.191 1.00 0.00 C ATOM 392 C LEU A 26 16.501 -1.157 3.207 1.00 0.00 C ATOM 393 O LEU A 26 17.715 -1.139 3.336 1.00 0.00 O ATOM 394 CB LEU A 26 15.245 -1.294 1.030 1.00 0.00 C ATOM 395 CG LEU A 26 14.718 -2.138 -0.138 1.00 0.00 C ATOM 396 CD1 LEU A 26 14.100 -1.253 -1.215 1.00 0.00 C ATOM 397 CD2 LEU A 26 15.836 -2.988 -0.726 1.00 0.00 C ATOM 0 H LEU A 26 13.892 -2.777 2.509 1.00 0.00 H new ATOM 0 HA LEU A 26 16.630 -2.747 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.427 -0.687 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.000 -0.606 0.649 1.00 0.00 H new ATOM 0 HG LEU A 26 13.941 -2.799 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.734 -1.875 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.271 -0.688 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.853 -0.562 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.446 -3.581 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.634 -2.340 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.230 -3.653 0.042 1.00 0.00 H new ATOM 409 N GLU A 27 15.693 -0.386 3.928 1.00 0.00 N ATOM 410 CA GLU A 27 16.207 0.556 4.932 1.00 0.00 C ATOM 411 C GLU A 27 17.047 -0.148 6.001 1.00 0.00 C ATOM 412 O GLU A 27 18.095 0.351 6.409 1.00 0.00 O ATOM 413 CB GLU A 27 15.048 1.283 5.626 1.00 0.00 C ATOM 414 CG GLU A 27 14.269 2.243 4.738 1.00 0.00 C ATOM 415 CD GLU A 27 15.009 3.539 4.481 1.00 0.00 C ATOM 416 OE1 GLU A 27 16.197 3.637 4.846 1.00 0.00 O ATOM 417 OE2 GLU A 27 14.405 4.470 3.907 1.00 0.00 O ATOM 0 H GLU A 27 14.677 -0.391 3.840 1.00 0.00 H new ATOM 0 HA GLU A 27 16.839 1.268 4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.358 0.539 6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.444 1.838 6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.055 1.757 3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.309 2.465 5.205 1.00 0.00 H new ATOM 483 N GLU B 1 -19.223 0.336 4.927 1.00 0.00 N ATOM 484 CA GLU B 1 -19.878 1.408 4.188 1.00 0.00 C ATOM 485 C GLU B 1 -19.159 1.663 2.869 1.00 0.00 C ATOM 486 O GLU B 1 -17.933 1.741 2.831 1.00 0.00 O ATOM 487 CB GLU B 1 -19.921 2.688 5.039 1.00 0.00 C ATOM 488 CG GLU B 1 -20.233 3.964 4.261 1.00 0.00 C ATOM 489 CD GLU B 1 -21.586 3.944 3.579 1.00 0.00 C ATOM 490 OE1 GLU B 1 -22.610 3.838 4.281 1.00 0.00 O ATOM 491 OE2 GLU B 1 -21.629 4.036 2.334 1.00 0.00 O ATOM 0 H1 GLU B 1 -19.185 0.583 5.936 1.00 0.00 H new ATOM 0 H2 GLU B 1 -19.759 -0.547 4.807 1.00 0.00 H new ATOM 0 H3 GLU B 1 -18.256 0.206 4.566 1.00 0.00 H new ATOM 0 HA GLU B 1 -20.901 1.105 3.965 1.00 0.00 H new ATOM 0 HB2 GLU B 1 -20.671 2.563 5.820 1.00 0.00 H new ATOM 0 HB3 GLU B 1 -18.959 2.809 5.537 1.00 0.00 H new ATOM 0 HG2 GLU B 1 -20.191 4.814 4.942 1.00 0.00 H new ATOM 0 HG3 GLU B 1 -19.459 4.120 3.509 1.00 0.00 H new ATOM 498 N VAL B 2 -19.935 1.796 1.802 1.00 0.00 N ATOM 499 CA VAL B 2 -19.398 2.061 0.473 1.00 0.00 C ATOM 500 C VAL B 2 -18.458 3.263 0.501 1.00 0.00 C ATOM 501 O VAL B 2 -17.280 3.156 0.163 1.00 0.00 O ATOM 502 CB VAL B 2 -20.531 2.339 -0.541 1.00 0.00 C ATOM 503 CG1 VAL B 2 -19.973 2.866 -1.853 1.00 0.00 C ATOM 504 CG2 VAL B 2 -21.366 1.089 -0.775 1.00 0.00 C ATOM 0 H VAL B 2 -20.952 1.724 1.832 1.00 0.00 H new ATOM 0 HA VAL B 2 -18.849 1.172 0.163 1.00 0.00 H new ATOM 0 HB VAL B 2 -21.178 3.107 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -20.792 3.053 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -19.432 3.795 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -19.294 2.129 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -22.157 1.309 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -20.731 0.295 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -21.810 0.766 0.167 1.00 0.00 H new ATOM 514 N GLN B 3 -18.993 4.405 0.912 1.00 0.00 N ATOM 515 CA GLN B 3 -18.217 5.636 0.985 1.00 0.00 C ATOM 516 C GLN B 3 -17.015 5.465 1.911 1.00 0.00 C ATOM 517 O GLN B 3 -15.928 5.975 1.640 1.00 0.00 O ATOM 518 CB GLN B 3 -19.104 6.785 1.467 1.00 0.00 C ATOM 519 CG GLN B 3 -18.453 8.152 1.356 1.00 0.00 C ATOM 520 CD GLN B 3 -18.159 8.561 -0.075 1.00 0.00 C ATOM 521 OE1 GLN B 3 -17.310 7.977 -0.746 1.00 0.00 O ATOM 522 NE2 GLN B 3 -18.865 9.568 -0.556 1.00 0.00 N ATOM 0 H GLN B 3 -19.966 4.505 1.201 1.00 0.00 H new ATOM 0 HA GLN B 3 -17.845 5.871 -0.012 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -20.028 6.785 0.889 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -19.379 6.607 2.507 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -19.106 8.896 1.813 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -17.523 8.152 1.925 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -19.561 10.029 0.030 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -18.714 9.885 -1.514 1.00 0.00 H new ATOM 531 N ALA B 4 -17.213 4.724 2.991 1.00 0.00 N ATOM 532 CA ALA B 4 -16.150 4.463 3.954 1.00 0.00 C ATOM 533 C ALA B 4 -15.003 3.694 3.308 1.00 0.00 C ATOM 534 O ALA B 4 -13.834 4.037 3.482 1.00 0.00 O ATOM 535 CB ALA B 4 -16.696 3.688 5.141 1.00 0.00 C ATOM 0 H ALA B 4 -18.106 4.290 3.225 1.00 0.00 H new ATOM 0 HA ALA B 4 -15.764 5.421 4.301 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -15.893 3.499 5.853 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -17.481 4.269 5.625 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -17.107 2.739 4.798 1.00 0.00 H new ATOM 541 N LEU B 5 -15.349 2.656 2.556 1.00 0.00 N ATOM 542 CA LEU B 5 -14.353 1.836 1.879 1.00 0.00 C ATOM 543 C LEU B 5 -13.640 2.642 0.800 1.00 0.00 C ATOM 544 O LEU B 5 -12.450 2.458 0.567 1.00 0.00 O ATOM 545 CB LEU B 5 -15.001 0.587 1.275 1.00 0.00 C ATOM 546 CG LEU B 5 -15.635 -0.369 2.288 1.00 0.00 C ATOM 547 CD1 LEU B 5 -16.312 -1.528 1.577 1.00 0.00 C ATOM 548 CD2 LEU B 5 -14.583 -0.883 3.258 1.00 0.00 C ATOM 0 H LEU B 5 -16.313 2.362 2.400 1.00 0.00 H new ATOM 0 HA LEU B 5 -13.615 1.517 2.615 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -15.767 0.901 0.566 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -14.246 0.043 0.708 1.00 0.00 H new ATOM 0 HG LEU B 5 -16.392 0.177 2.852 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -16.757 -2.197 2.314 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -17.091 -1.145 0.917 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -15.575 -2.075 0.989 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -15.048 -1.562 3.973 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -13.807 -1.413 2.706 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -14.139 -0.043 3.792 1.00 0.00 H new ATOM 560 N LYS B 6 -14.368 3.553 0.166 1.00 0.00 N ATOM 561 CA LYS B 6 -13.790 4.404 -0.869 1.00 0.00 C ATOM 562 C LYS B 6 -12.694 5.272 -0.266 1.00 0.00 C ATOM 563 O LYS B 6 -11.619 5.427 -0.847 1.00 0.00 O ATOM 564 CB LYS B 6 -14.874 5.271 -1.516 1.00 0.00 C ATOM 565 CG LYS B 6 -15.880 4.464 -2.322 1.00 0.00 C ATOM 566 CD LYS B 6 -17.123 5.272 -2.661 1.00 0.00 C ATOM 567 CE LYS B 6 -16.804 6.462 -3.547 1.00 0.00 C ATOM 568 NZ LYS B 6 -18.018 7.271 -3.832 1.00 0.00 N ATOM 0 H LYS B 6 -15.357 3.722 0.349 1.00 0.00 H new ATOM 0 HA LYS B 6 -13.353 3.775 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -15.400 5.825 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -14.402 6.007 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -15.411 4.118 -3.243 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -16.168 3.577 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -17.847 4.630 -3.163 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -17.591 5.621 -1.740 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -16.055 7.087 -3.062 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -16.370 6.113 -4.484 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -17.764 8.076 -4.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -18.723 6.680 -4.317 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -18.417 7.624 -2.939 1.00 0.00 H new ATOM 582 N LYS B 7 -12.953 5.804 0.927 1.00 0.00 N ATOM 583 CA LYS B 7 -11.963 6.618 1.622 1.00 0.00 C ATOM 584 C LYS B 7 -10.800 5.737 2.067 1.00 0.00 C ATOM 585 O LYS B 7 -9.644 6.157 2.048 1.00 0.00 O ATOM 586 CB LYS B 7 -12.580 7.343 2.821 1.00 0.00 C ATOM 587 CG LYS B 7 -13.158 8.711 2.484 1.00 0.00 C ATOM 588 CD LYS B 7 -14.381 8.609 1.591 1.00 0.00 C ATOM 589 CE LYS B 7 -14.816 9.972 1.088 1.00 0.00 C ATOM 590 NZ LYS B 7 -13.833 10.548 0.132 1.00 0.00 N ATOM 0 H LYS B 7 -13.834 5.686 1.428 1.00 0.00 H new ATOM 0 HA LYS B 7 -11.596 7.380 0.934 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -13.369 6.720 3.243 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -11.819 7.461 3.593 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -13.425 9.229 3.405 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -12.397 9.314 1.988 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -14.161 7.960 0.743 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.199 8.146 2.143 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -15.788 9.887 0.602 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -14.940 10.649 1.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -14.275 11.331 -0.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -13.007 10.903 0.655 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -13.529 9.813 -0.538 1.00 0.00 H new ATOM 604 N ARG B 8 -11.120 4.496 2.428 1.00 0.00 N ATOM 605 CA ARG B 8 -10.113 3.521 2.829 1.00 0.00 C ATOM 606 C ARG B 8 -9.177 3.276 1.652 1.00 0.00 C ATOM 607 O ARG B 8 -7.955 3.246 1.805 1.00 0.00 O ATOM 608 CB ARG B 8 -10.789 2.216 3.258 1.00 0.00 C ATOM 609 CG ARG B 8 -9.823 1.106 3.641 1.00 0.00 C ATOM 610 CD ARG B 8 -9.085 1.416 4.935 1.00 0.00 C ATOM 611 NE ARG B 8 -8.233 0.305 5.360 1.00 0.00 N ATOM 612 CZ ARG B 8 -8.692 -0.851 5.848 1.00 0.00 C ATOM 613 NH1 ARG B 8 -9.985 -1.010 6.101 1.00 0.00 N ATOM 614 NH2 ARG B 8 -7.851 -1.837 6.118 1.00 0.00 N ATOM 0 H ARG B 8 -12.076 4.142 2.450 1.00 0.00 H new ATOM 0 HA ARG B 8 -9.541 3.901 3.676 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -11.443 2.421 4.106 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.423 1.865 2.444 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -10.371 0.170 3.751 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -9.101 0.960 2.838 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -8.475 2.309 4.799 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.808 1.639 5.720 1.00 0.00 H new ATOM 0 HE ARG B 8 -7.223 0.421 5.278 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -10.637 -0.246 5.923 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -10.327 -1.896 6.473 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -6.852 -1.715 5.954 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -8.202 -2.719 6.491 1.00 0.00 H new ATOM 628 N VAL B 9 -9.770 3.135 0.469 1.00 0.00 N ATOM 629 CA VAL B 9 -9.012 2.924 -0.753 1.00 0.00 C ATOM 630 C VAL B 9 -8.122 4.129 -1.048 1.00 0.00 C ATOM 631 O VAL B 9 -6.928 3.980 -1.292 1.00 0.00 O ATOM 632 CB VAL B 9 -9.939 2.669 -1.966 1.00 0.00 C ATOM 633 CG1 VAL B 9 -9.139 2.625 -3.260 1.00 0.00 C ATOM 634 CG2 VAL B 9 -10.716 1.378 -1.785 1.00 0.00 C ATOM 0 H VAL B 9 -10.781 3.164 0.335 1.00 0.00 H new ATOM 0 HA VAL B 9 -8.394 2.040 -0.597 1.00 0.00 H new ATOM 0 HB VAL B 9 -10.647 3.495 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -9.812 2.445 -4.098 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -8.627 3.577 -3.404 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -8.404 1.822 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -11.361 1.218 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -10.020 0.544 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -11.326 1.443 -0.884 1.00 0.00 H new ATOM 644 N GLN B 10 -8.716 5.322 -1.022 1.00 0.00 N ATOM 645 CA GLN B 10 -7.982 6.555 -1.293 1.00 0.00 C ATOM 646 C GLN B 10 -6.810 6.728 -0.334 1.00 0.00 C ATOM 647 O GLN B 10 -5.743 7.204 -0.727 1.00 0.00 O ATOM 648 CB GLN B 10 -8.910 7.766 -1.201 1.00 0.00 C ATOM 649 CG GLN B 10 -10.044 7.742 -2.215 1.00 0.00 C ATOM 650 CD GLN B 10 -9.558 7.698 -3.653 1.00 0.00 C ATOM 651 OE1 GLN B 10 -8.813 8.571 -4.102 1.00 0.00 O ATOM 652 NE2 GLN B 10 -9.988 6.684 -4.387 1.00 0.00 N ATOM 0 H GLN B 10 -9.705 5.459 -0.815 1.00 0.00 H new ATOM 0 HA GLN B 10 -7.587 6.484 -2.306 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -9.332 7.814 -0.197 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -8.324 8.674 -1.345 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -10.675 6.874 -2.025 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -10.667 8.626 -2.075 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -10.604 5.982 -3.976 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -9.703 6.604 -5.363 1.00 0.00 H new ATOM 661 N ALA B 11 -7.010 6.329 0.916 1.00 0.00 N ATOM 662 CA ALA B 11 -5.970 6.431 1.925 1.00 0.00 C ATOM 663 C ALA B 11 -4.859 5.432 1.637 1.00 0.00 C ATOM 664 O ALA B 11 -3.677 5.783 1.620 1.00 0.00 O ATOM 665 CB ALA B 11 -6.552 6.195 3.310 1.00 0.00 C ATOM 0 H ALA B 11 -7.887 5.931 1.253 1.00 0.00 H new ATOM 0 HA ALA B 11 -5.550 7.436 1.894 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.761 6.275 4.056 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -7.319 6.942 3.514 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -6.993 5.199 3.354 1.00 0.00 H new ATOM 671 N LEU B 12 -5.252 4.188 1.394 1.00 0.00 N ATOM 672 CA LEU B 12 -4.307 3.130 1.094 1.00 0.00 C ATOM 673 C LEU B 12 -3.523 3.439 -0.167 1.00 0.00 C ATOM 674 O LEU B 12 -2.310 3.348 -0.168 1.00 0.00 O ATOM 675 CB LEU B 12 -5.027 1.793 0.921 1.00 0.00 C ATOM 676 CG LEU B 12 -5.458 1.108 2.215 1.00 0.00 C ATOM 677 CD1 LEU B 12 -6.490 0.025 1.927 1.00 0.00 C ATOM 678 CD2 LEU B 12 -4.245 0.509 2.908 1.00 0.00 C ATOM 0 H LEU B 12 -6.227 3.890 1.400 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.616 3.063 1.935 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.911 1.953 0.303 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.373 1.116 0.372 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.913 1.849 2.871 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -6.786 -0.453 2.861 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.365 0.472 1.455 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -6.059 -0.720 1.259 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -4.557 0.021 3.831 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.776 -0.224 2.251 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -3.531 1.299 3.139 1.00 0.00 H new ATOM 690 N LYS B 13 -4.221 3.804 -1.238 1.00 0.00 N ATOM 691 CA LYS B 13 -3.563 4.114 -2.506 1.00 0.00 C ATOM 692 C LYS B 13 -2.563 5.250 -2.341 1.00 0.00 C ATOM 693 O LYS B 13 -1.504 5.238 -2.960 1.00 0.00 O ATOM 694 CB LYS B 13 -4.581 4.470 -3.595 1.00 0.00 C ATOM 695 CG LYS B 13 -5.521 3.332 -3.969 1.00 0.00 C ATOM 696 CD LYS B 13 -4.832 1.980 -3.891 1.00 0.00 C ATOM 697 CE LYS B 13 -5.523 0.939 -4.755 1.00 0.00 C ATOM 698 NZ LYS B 13 -5.275 1.156 -6.206 1.00 0.00 N ATOM 0 H LYS B 13 -5.237 3.893 -1.255 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.027 3.217 -2.817 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.174 5.320 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -4.044 4.790 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -6.383 3.339 -3.302 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -5.898 3.490 -4.979 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -3.794 2.083 -4.208 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -4.817 1.640 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -5.173 -0.054 -4.473 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -6.596 0.965 -4.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.573 0.314 -6.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -5.818 1.981 -6.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.261 1.324 -6.363 1.00 0.00 H new ATOM 712 N ALA B 14 -2.887 6.216 -1.492 1.00 0.00 N ATOM 713 CA ALA B 14 -1.986 7.334 -1.247 1.00 0.00 C ATOM 714 C ALA B 14 -0.729 6.846 -0.542 1.00 0.00 C ATOM 715 O ALA B 14 0.382 7.292 -0.836 1.00 0.00 O ATOM 716 CB ALA B 14 -2.674 8.412 -0.424 1.00 0.00 C ATOM 0 H ALA B 14 -3.760 6.249 -0.965 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.705 7.769 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.982 9.237 -0.254 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.549 8.778 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.985 7.995 0.534 1.00 0.00 H new ATOM 722 N ARG B 15 -0.909 5.904 0.375 1.00 0.00 N ATOM 723 CA ARG B 15 0.208 5.328 1.106 1.00 0.00 C ATOM 724 C ARG B 15 0.961 4.355 0.204 1.00 0.00 C ATOM 725 O ARG B 15 2.186 4.297 0.222 1.00 0.00 O ATOM 726 CB ARG B 15 -0.297 4.622 2.371 1.00 0.00 C ATOM 727 CG ARG B 15 0.777 3.859 3.141 1.00 0.00 C ATOM 728 CD ARG B 15 1.983 4.730 3.452 1.00 0.00 C ATOM 729 NE ARG B 15 2.934 4.057 4.336 1.00 0.00 N ATOM 730 CZ ARG B 15 2.831 4.038 5.665 1.00 0.00 C ATOM 731 NH1 ARG B 15 1.862 4.706 6.273 1.00 0.00 N ATOM 732 NH2 ARG B 15 3.713 3.366 6.388 1.00 0.00 N ATOM 0 H ARG B 15 -1.820 5.523 0.629 1.00 0.00 H new ATOM 0 HA ARG B 15 0.891 6.121 1.411 1.00 0.00 H new ATOM 0 HB2 ARG B 15 -0.742 5.365 3.033 1.00 0.00 H new ATOM 0 HB3 ARG B 15 -1.089 3.927 2.092 1.00 0.00 H new ATOM 0 HG2 ARG B 15 0.355 3.479 4.071 1.00 0.00 H new ATOM 0 HG3 ARG B 15 1.095 2.994 2.559 1.00 0.00 H new ATOM 0 HD2 ARG B 15 2.483 5.002 2.522 1.00 0.00 H new ATOM 0 HD3 ARG B 15 1.650 5.657 3.918 1.00 0.00 H new ATOM 0 HE ARG B 15 3.724 3.573 3.910 1.00 0.00 H new ATOM 0 HH11 ARG B 15 1.188 5.240 5.724 1.00 0.00 H new ATOM 0 HH12 ARG B 15 1.790 4.687 7.290 1.00 0.00 H new ATOM 0 HH21 ARG B 15 4.472 2.863 5.928 1.00 0.00 H new ATOM 0 HH22 ARG B 15 3.634 3.352 7.405 1.00 0.00 H new ATOM 746 N ASN B 16 0.209 3.612 -0.592 1.00 0.00 N ATOM 747 CA ASN B 16 0.767 2.649 -1.522 1.00 0.00 C ATOM 748 C ASN B 16 1.618 3.360 -2.558 1.00 0.00 C ATOM 749 O ASN B 16 2.736 2.948 -2.846 1.00 0.00 O ATOM 750 CB ASN B 16 -0.363 1.867 -2.207 1.00 0.00 C ATOM 751 CG ASN B 16 -0.817 0.661 -1.403 1.00 0.00 C ATOM 752 OD1 ASN B 16 -1.188 0.780 -0.238 1.00 0.00 O ATOM 753 ND2 ASN B 16 -0.821 -0.505 -2.029 1.00 0.00 N ATOM 0 H ASN B 16 -0.810 3.662 -0.610 1.00 0.00 H new ATOM 0 HA ASN B 16 1.397 1.948 -0.974 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -1.212 2.531 -2.368 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -0.026 1.537 -3.190 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -1.140 -1.343 -1.543 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -0.506 -0.565 -2.997 1.00 0.00 H new ATOM 760 N TYR B 17 1.083 4.442 -3.103 1.00 0.00 N ATOM 761 CA TYR B 17 1.790 5.227 -4.099 1.00 0.00 C ATOM 762 C TYR B 17 3.118 5.723 -3.543 1.00 0.00 C ATOM 763 O TYR B 17 4.160 5.590 -4.184 1.00 0.00 O ATOM 764 CB TYR B 17 0.942 6.419 -4.532 1.00 0.00 C ATOM 765 CG TYR B 17 1.469 7.113 -5.770 1.00 0.00 C ATOM 766 CD1 TYR B 17 1.620 6.421 -6.964 1.00 0.00 C ATOM 767 CD2 TYR B 17 1.826 8.452 -5.738 1.00 0.00 C ATOM 768 CE1 TYR B 17 2.110 7.044 -8.094 1.00 0.00 C ATOM 769 CE2 TYR B 17 2.316 9.084 -6.865 1.00 0.00 C ATOM 770 CZ TYR B 17 2.459 8.374 -8.040 1.00 0.00 C ATOM 771 OH TYR B 17 2.955 8.998 -9.165 1.00 0.00 O ATOM 0 H TYR B 17 0.156 4.797 -2.869 1.00 0.00 H new ATOM 0 HA TYR B 17 1.982 4.590 -4.962 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -0.077 6.081 -4.720 1.00 0.00 H new ATOM 0 HB3 TYR B 17 0.894 7.138 -3.714 1.00 0.00 H new ATOM 0 HD1 TYR B 17 1.349 5.376 -7.010 1.00 0.00 H new ATOM 0 HD2 TYR B 17 1.720 9.009 -4.819 1.00 0.00 H new ATOM 0 HE1 TYR B 17 2.219 6.491 -9.015 1.00 0.00 H new ATOM 0 HE2 TYR B 17 2.586 10.129 -6.827 1.00 0.00 H new ATOM 0 HH TYR B 17 3.151 9.936 -8.959 1.00 0.00 H new ATOM 781 N ALA B 18 3.064 6.292 -2.344 1.00 0.00 N ATOM 782 CA ALA B 18 4.256 6.813 -1.689 1.00 0.00 C ATOM 783 C ALA B 18 5.235 5.691 -1.344 1.00 0.00 C ATOM 784 O ALA B 18 6.435 5.808 -1.600 1.00 0.00 O ATOM 785 CB ALA B 18 3.870 7.588 -0.440 1.00 0.00 C ATOM 0 H ALA B 18 2.205 6.404 -1.806 1.00 0.00 H new ATOM 0 HA ALA B 18 4.757 7.488 -2.383 1.00 0.00 H new ATOM 0 HB1 ALA B 18 4.769 7.973 0.042 1.00 0.00 H new ATOM 0 HB2 ALA B 18 3.221 8.420 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA B 18 3.343 6.928 0.249 1.00 0.00 H new ATOM 791 N ALA B 19 4.718 4.608 -0.768 1.00 0.00 N ATOM 792 CA ALA B 19 5.544 3.467 -0.389 1.00 0.00 C ATOM 793 C ALA B 19 6.234 2.868 -1.609 1.00 0.00 C ATOM 794 O ALA B 19 7.390 2.456 -1.538 1.00 0.00 O ATOM 795 CB ALA B 19 4.708 2.416 0.327 1.00 0.00 C ATOM 0 H ALA B 19 3.727 4.498 -0.553 1.00 0.00 H new ATOM 0 HA ALA B 19 6.315 3.818 0.297 1.00 0.00 H new ATOM 0 HB1 ALA B 19 5.341 1.573 0.602 1.00 0.00 H new ATOM 0 HB2 ALA B 19 4.271 2.850 1.226 1.00 0.00 H new ATOM 0 HB3 ALA B 19 3.912 2.072 -0.334 1.00 0.00 H new ATOM 801 N LYS B 20 5.531 2.848 -2.737 1.00 0.00 N ATOM 802 CA LYS B 20 6.097 2.326 -3.975 1.00 0.00 C ATOM 803 C LYS B 20 7.282 3.175 -4.404 1.00 0.00 C ATOM 804 O LYS B 20 8.303 2.651 -4.853 1.00 0.00 O ATOM 805 CB LYS B 20 5.050 2.276 -5.086 1.00 0.00 C ATOM 806 CG LYS B 20 4.058 1.142 -4.916 1.00 0.00 C ATOM 807 CD LYS B 20 2.972 1.175 -5.970 1.00 0.00 C ATOM 808 CE LYS B 20 2.073 -0.039 -5.856 1.00 0.00 C ATOM 809 NZ LYS B 20 0.925 0.026 -6.796 1.00 0.00 N ATOM 0 H LYS B 20 4.572 3.186 -2.819 1.00 0.00 H new ATOM 0 HA LYS B 20 6.436 1.307 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.510 3.223 -5.112 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.553 2.170 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS B 20 4.585 0.189 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS B 20 3.605 1.202 -3.927 1.00 0.00 H new ATOM 0 HD2 LYS B 20 2.380 2.083 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS B 20 3.423 1.207 -6.962 1.00 0.00 H new ATOM 0 HE2 LYS B 20 2.654 -0.940 -6.055 1.00 0.00 H new ATOM 0 HE3 LYS B 20 1.701 -0.119 -4.835 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.093 -0.419 -6.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 0.711 1.020 -7.014 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 1.166 -0.477 -7.674 1.00 0.00 H new ATOM 823 N GLN B 21 7.156 4.488 -4.230 1.00 0.00 N ATOM 824 CA GLN B 21 8.238 5.396 -4.572 1.00 0.00 C ATOM 825 C GLN B 21 9.400 5.157 -3.625 1.00 0.00 C ATOM 826 O GLN B 21 10.559 5.264 -4.017 1.00 0.00 O ATOM 827 CB GLN B 21 7.793 6.859 -4.503 1.00 0.00 C ATOM 828 CG GLN B 21 6.556 7.170 -5.331 1.00 0.00 C ATOM 829 CD GLN B 21 6.555 6.473 -6.681 1.00 0.00 C ATOM 830 OE1 GLN B 21 7.470 6.644 -7.488 1.00 0.00 O ATOM 831 NE2 GLN B 21 5.527 5.676 -6.926 1.00 0.00 N ATOM 0 H GLN B 21 6.321 4.941 -3.857 1.00 0.00 H new ATOM 0 HA GLN B 21 8.544 5.199 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.596 7.119 -3.463 1.00 0.00 H new ATOM 0 HB3 GLN B 21 8.612 7.493 -4.841 1.00 0.00 H new ATOM 0 HG2 GLN B 21 5.668 6.872 -4.774 1.00 0.00 H new ATOM 0 HG3 GLN B 21 6.489 8.247 -5.484 1.00 0.00 H new ATOM 0 HE21 GLN B 21 4.791 5.564 -6.229 1.00 0.00 H new ATOM 0 HE22 GLN B 21 5.471 5.174 -7.812 1.00 0.00 H new ATOM 840 N LYS B 22 9.073 4.793 -2.386 1.00 0.00 N ATOM 841 CA LYS B 22 10.081 4.490 -1.380 1.00 0.00 C ATOM 842 C LYS B 22 10.877 3.271 -1.805 1.00 0.00 C ATOM 843 O LYS B 22 12.102 3.300 -1.820 1.00 0.00 O ATOM 844 CB LYS B 22 9.432 4.230 -0.015 1.00 0.00 C ATOM 845 CG LYS B 22 9.149 5.484 0.790 1.00 0.00 C ATOM 846 CD LYS B 22 10.431 6.095 1.333 1.00 0.00 C ATOM 847 CE LYS B 22 11.116 5.180 2.343 1.00 0.00 C ATOM 848 NZ LYS B 22 12.350 5.796 2.899 1.00 0.00 N ATOM 0 H LYS B 22 8.112 4.701 -2.057 1.00 0.00 H new ATOM 0 HA LYS B 22 10.745 5.350 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS B 22 8.497 3.691 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS B 22 10.084 3.579 0.566 1.00 0.00 H new ATOM 0 HG2 LYS B 22 8.634 6.212 0.163 1.00 0.00 H new ATOM 0 HG3 LYS B 22 8.480 5.245 1.616 1.00 0.00 H new ATOM 0 HD2 LYS B 22 11.113 6.299 0.508 1.00 0.00 H new ATOM 0 HD3 LYS B 22 10.206 7.051 1.805 1.00 0.00 H new ATOM 0 HE2 LYS B 22 10.425 4.954 3.155 1.00 0.00 H new ATOM 0 HE3 LYS B 22 11.366 4.233 1.864 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 13.068 5.059 3.051 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 12.716 6.503 2.230 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 12.130 6.257 3.805 1.00 0.00 H new ATOM 862 N VAL B 23 10.167 2.206 -2.163 1.00 0.00 N ATOM 863 CA VAL B 23 10.801 0.969 -2.603 1.00 0.00 C ATOM 864 C VAL B 23 11.746 1.229 -3.777 1.00 0.00 C ATOM 865 O VAL B 23 12.902 0.804 -3.770 1.00 0.00 O ATOM 866 CB VAL B 23 9.751 -0.082 -3.043 1.00 0.00 C ATOM 867 CG1 VAL B 23 10.429 -1.387 -3.437 1.00 0.00 C ATOM 868 CG2 VAL B 23 8.705 -0.321 -1.957 1.00 0.00 C ATOM 0 H VAL B 23 9.147 2.175 -2.157 1.00 0.00 H new ATOM 0 HA VAL B 23 11.362 0.583 -1.752 1.00 0.00 H new ATOM 0 HB VAL B 23 9.232 0.315 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL B 23 9.674 -2.111 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.114 -1.206 -4.265 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.985 -1.780 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL B 23 7.986 -1.064 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL B 23 9.195 -0.683 -1.053 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.186 0.613 -1.740 1.00 0.00 H new ATOM 878 N GLN B 24 11.243 1.926 -4.786 1.00 0.00 N ATOM 879 CA GLN B 24 12.033 2.233 -5.967 1.00 0.00 C ATOM 880 C GLN B 24 13.166 3.208 -5.659 1.00 0.00 C ATOM 881 O GLN B 24 14.222 3.144 -6.280 1.00 0.00 O ATOM 882 CB GLN B 24 11.139 2.799 -7.066 1.00 0.00 C ATOM 883 CG GLN B 24 10.110 1.808 -7.592 1.00 0.00 C ATOM 884 CD GLN B 24 10.742 0.546 -8.153 1.00 0.00 C ATOM 885 OE1 GLN B 24 11.612 0.608 -9.023 1.00 0.00 O ATOM 886 NE2 GLN B 24 10.308 -0.607 -7.670 1.00 0.00 N ATOM 0 H GLN B 24 10.290 2.289 -4.809 1.00 0.00 H new ATOM 0 HA GLN B 24 12.484 1.302 -6.310 1.00 0.00 H new ATOM 0 HB2 GLN B 24 10.621 3.678 -6.683 1.00 0.00 H new ATOM 0 HB3 GLN B 24 11.764 3.133 -7.894 1.00 0.00 H new ATOM 0 HG2 GLN B 24 9.426 1.539 -6.787 1.00 0.00 H new ATOM 0 HG3 GLN B 24 9.515 2.287 -8.369 1.00 0.00 H new ATOM 0 HE21 GLN B 24 9.586 -0.619 -6.950 1.00 0.00 H new ATOM 0 HE22 GLN B 24 10.696 -1.484 -8.018 1.00 0.00 H new ATOM 895 N ALA B 25 12.951 4.100 -4.698 1.00 0.00 N ATOM 896 CA ALA B 25 13.976 5.069 -4.322 1.00 0.00 C ATOM 897 C ALA B 25 15.080 4.380 -3.547 1.00 0.00 C ATOM 898 O ALA B 25 16.263 4.617 -3.778 1.00 0.00 O ATOM 899 CB ALA B 25 13.385 6.207 -3.501 1.00 0.00 C ATOM 0 H ALA B 25 12.083 4.173 -4.168 1.00 0.00 H new ATOM 0 HA ALA B 25 14.392 5.496 -5.235 1.00 0.00 H new ATOM 0 HB1 ALA B 25 14.173 6.912 -3.236 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.621 6.719 -4.086 1.00 0.00 H new ATOM 0 HB3 ALA B 25 12.937 5.805 -2.592 1.00 0.00 H new ATOM 905 N LEU B 26 14.678 3.506 -2.638 1.00 0.00 N ATOM 906 CA LEU B 26 15.619 2.756 -1.830 1.00 0.00 C ATOM 907 C LEU B 26 16.453 1.851 -2.711 1.00 0.00 C ATOM 908 O LEU B 26 17.664 1.817 -2.587 1.00 0.00 O ATOM 909 CB LEU B 26 14.886 1.928 -0.779 1.00 0.00 C ATOM 910 CG LEU B 26 14.151 2.740 0.280 1.00 0.00 C ATOM 911 CD1 LEU B 26 13.364 1.833 1.209 1.00 0.00 C ATOM 912 CD2 LEU B 26 15.141 3.578 1.059 1.00 0.00 C ATOM 0 H LEU B 26 13.698 3.299 -2.442 1.00 0.00 H new ATOM 0 HA LEU B 26 16.274 3.462 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.168 1.281 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.606 1.278 -0.282 1.00 0.00 H new ATOM 0 HG LEU B 26 13.441 3.402 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU B 26 12.848 2.436 1.956 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.633 1.267 0.632 1.00 0.00 H new ATOM 0 HD13 LEU B 26 14.045 1.143 1.707 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.612 4.157 1.815 1.00 0.00 H new ATOM 0 HD22 LEU B 26 15.867 2.926 1.544 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.658 4.255 0.380 1.00 0.00 H new ATOM 924 N ARG B 27 15.794 1.136 -3.615 1.00 0.00 N ATOM 925 CA ARG B 27 16.487 0.239 -4.529 1.00 0.00 C ATOM 926 C ARG B 27 17.369 1.013 -5.508 1.00 0.00 C ATOM 927 O ARG B 27 18.311 0.467 -6.076 1.00 0.00 O ATOM 928 CB ARG B 27 15.477 -0.633 -5.267 1.00 0.00 C ATOM 929 CG ARG B 27 15.131 -1.891 -4.499 1.00 0.00 C ATOM 930 CD ARG B 27 13.810 -2.485 -4.944 1.00 0.00 C ATOM 931 NE ARG B 27 13.652 -3.855 -4.459 1.00 0.00 N ATOM 932 CZ ARG B 27 14.348 -4.893 -4.922 1.00 0.00 C ATOM 933 NH1 ARG B 27 15.112 -4.770 -6.003 1.00 0.00 N ATOM 934 NH2 ARG B 27 14.249 -6.071 -4.327 1.00 0.00 N ATOM 0 H ARG B 27 14.781 1.161 -3.734 1.00 0.00 H new ATOM 0 HA ARG B 27 17.145 -0.406 -3.947 1.00 0.00 H new ATOM 0 HB2 ARG B 27 14.568 -0.059 -5.447 1.00 0.00 H new ATOM 0 HB3 ARG B 27 15.880 -0.905 -6.242 1.00 0.00 H new ATOM 0 HG2 ARG B 27 15.923 -2.627 -4.634 1.00 0.00 H new ATOM 0 HG3 ARG B 27 15.086 -1.664 -3.434 1.00 0.00 H new ATOM 0 HD2 ARG B 27 12.990 -1.870 -4.575 1.00 0.00 H new ATOM 0 HD3 ARG B 27 13.752 -2.474 -6.032 1.00 0.00 H new ATOM 0 HE ARG B 27 12.968 -4.027 -3.722 1.00 0.00 H new ATOM 0 HH11 ARG B 27 15.170 -3.874 -6.487 1.00 0.00 H new ATOM 0 HH12 ARG B 27 15.640 -5.571 -6.348 1.00 0.00 H new ATOM 0 HH21 ARG B 27 13.641 -6.183 -3.516 1.00 0.00 H new ATOM 0 HH22 ARG B 27 14.781 -6.867 -4.680 1.00 0.00 H new ATOM 948 N HIS B 28 17.069 2.291 -5.681 1.00 0.00 N ATOM 949 CA HIS B 28 17.846 3.148 -6.565 1.00 0.00 C ATOM 950 C HIS B 28 19.090 3.640 -5.825 1.00 0.00 C ATOM 951 O HIS B 28 20.198 3.643 -6.366 1.00 0.00 O ATOM 952 CB HIS B 28 16.985 4.335 -7.015 1.00 0.00 C ATOM 953 CG HIS B 28 17.601 5.193 -8.079 1.00 0.00 C ATOM 954 ND1 HIS B 28 16.981 6.296 -8.623 1.00 0.00 N ATOM 955 CD2 HIS B 28 18.801 5.095 -8.706 1.00 0.00 C ATOM 956 CE1 HIS B 28 17.800 6.820 -9.539 1.00 0.00 C ATOM 957 NE2 HIS B 28 18.920 6.129 -9.630 1.00 0.00 N ATOM 0 H HIS B 28 16.290 2.760 -5.219 1.00 0.00 H new ATOM 0 HA HIS B 28 18.157 2.588 -7.447 1.00 0.00 H new ATOM 0 HB2 HIS B 28 16.031 3.955 -7.382 1.00 0.00 H new ATOM 0 HB3 HIS B 28 16.768 4.957 -6.147 1.00 0.00 H new ATOM 0 HD2 HIS B 28 19.545 4.335 -8.518 1.00 0.00 H new ATOM 0 HE1 HIS B 28 17.574 7.696 -10.129 1.00 0.00 H new ATOM 0 HE2 HIS B 28 19.709 6.314 -10.249 1.00 0.00 H new ATOM 965 N LYS B 29 18.884 4.050 -4.585 1.00 0.00 N ATOM 966 CA LYS B 29 19.957 4.551 -3.738 1.00 0.00 C ATOM 967 C LYS B 29 20.847 3.413 -3.246 1.00 0.00 C ATOM 968 O LYS B 29 22.076 3.493 -3.283 1.00 0.00 O ATOM 969 CB LYS B 29 19.348 5.273 -2.535 1.00 0.00 C ATOM 970 CG LYS B 29 20.365 5.913 -1.604 1.00 0.00 C ATOM 971 CD LYS B 29 19.701 6.412 -0.330 1.00 0.00 C ATOM 972 CE LYS B 29 19.039 5.274 0.430 1.00 0.00 C ATOM 973 NZ LYS B 29 18.271 5.759 1.607 1.00 0.00 N ATOM 0 H LYS B 29 17.968 4.046 -4.135 1.00 0.00 H new ATOM 0 HA LYS B 29 20.570 5.237 -4.323 1.00 0.00 H new ATOM 0 HB2 LYS B 29 18.668 6.045 -2.896 1.00 0.00 H new ATOM 0 HB3 LYS B 29 18.749 4.562 -1.965 1.00 0.00 H new ATOM 0 HG2 LYS B 29 21.141 5.189 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS B 29 20.856 6.743 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS B 29 20.444 6.893 0.306 1.00 0.00 H new ATOM 0 HD3 LYS B 29 18.956 7.168 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS B 29 18.371 4.732 -0.240 1.00 0.00 H new ATOM 0 HE3 LYS B 29 19.801 4.568 0.761 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 17.837 4.950 2.095 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 18.912 6.254 2.260 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 17.527 6.413 1.290 1.00 0.00 H new