USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 582 hydrogens (5 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 38 LYS NZ :NH3+ 157:sc= 0.272 (180deg=0) USER MOD Set 1.2: A 101 HTS O1 : rot 166:sc= 1.21 USER MOD Set 2.1: A 17 LYS NZ :NH3+ 177:sc= -0.189 (180deg=-0.225) USER MOD Set 2.2: A 65 LYS NZ :NH3+ 154:sc= -0.343 (180deg=-1.23!) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0892 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.196 USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0535) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= -0.28 (180deg=-0.29) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= -0.997 (180deg=-0.999) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.181 5.450 12.172 1.00 0.00 N ATOM 2 CA GLY A 1 -17.230 4.150 11.448 1.00 0.00 C ATOM 3 C GLY A 1 -16.026 3.276 11.741 1.00 0.00 C ATOM 4 O GLY A 1 -15.191 3.619 12.576 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.010 5.532 12.794 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.313 5.497 12.744 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.185 6.231 11.485 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.139 3.617 11.727 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.287 4.337 10.376 1.00 0.00 H new ATOM 10 N SER A 2 -15.939 2.143 11.051 1.00 0.00 N ATOM 11 CA SER A 2 -14.828 1.217 11.241 1.00 0.00 C ATOM 12 C SER A 2 -14.580 0.399 9.978 1.00 0.00 C ATOM 13 O SER A 2 -15.385 -0.458 9.613 1.00 0.00 O ATOM 14 CB SER A 2 -15.113 0.284 12.420 1.00 0.00 C ATOM 15 OG SER A 2 -15.503 1.016 13.568 1.00 0.00 O ATOM 0 H SER A 2 -16.623 1.844 10.356 1.00 0.00 H new ATOM 0 HA SER A 2 -13.932 1.800 11.455 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.900 -0.419 12.149 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.224 -0.304 12.645 1.00 0.00 H new ATOM 0 HG SER A 2 -15.681 0.396 14.306 1.00 0.00 H new ATOM 21 N ARG A 3 -13.460 0.669 9.315 1.00 0.00 N ATOM 22 CA ARG A 3 -13.105 -0.042 8.093 1.00 0.00 C ATOM 23 C ARG A 3 -11.735 0.400 7.585 1.00 0.00 C ATOM 24 O ARG A 3 -10.937 -0.418 7.128 1.00 0.00 O ATOM 25 CB ARG A 3 -14.167 0.192 7.015 1.00 0.00 C ATOM 26 CG ARG A 3 -14.926 -1.066 6.626 1.00 0.00 C ATOM 27 CD ARG A 3 -16.025 -0.767 5.616 1.00 0.00 C ATOM 28 NE ARG A 3 -17.355 -0.845 6.215 1.00 0.00 N ATOM 29 CZ ARG A 3 -18.451 -0.341 5.654 1.00 0.00 C ATOM 30 NH1 ARG A 3 -18.380 0.279 4.482 1.00 0.00 N ATOM 31 NH2 ARG A 3 -19.622 -0.456 6.266 1.00 0.00 N ATOM 0 H ARG A 3 -12.783 1.375 9.604 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.060 -1.107 8.320 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.876 0.939 7.372 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.687 0.606 6.128 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.233 -1.795 6.205 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.363 -1.518 7.516 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.873 0.229 5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -15.958 -1.473 4.788 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.449 -1.313 7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.482 0.371 4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -19.224 0.663 4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -19.682 -0.931 7.167 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -20.462 -0.070 5.836 1.00 0.00 H new ATOM 45 N VAL A 4 -11.470 1.699 7.669 1.00 0.00 N ATOM 46 CA VAL A 4 -10.198 2.252 7.219 1.00 0.00 C ATOM 47 C VAL A 4 -9.074 1.911 8.192 1.00 0.00 C ATOM 48 O VAL A 4 -7.912 1.807 7.800 1.00 0.00 O ATOM 49 CB VAL A 4 -10.280 3.783 7.054 1.00 0.00 C ATOM 50 CG1 VAL A 4 -10.601 4.450 8.383 1.00 0.00 C ATOM 51 CG2 VAL A 4 -8.983 4.330 6.474 1.00 0.00 C ATOM 0 H VAL A 4 -12.120 2.389 8.045 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.980 1.802 6.250 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.087 4.010 6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.654 5.530 8.245 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.559 4.084 8.752 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.820 4.215 9.106 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -9.061 5.412 6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.156 4.091 7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.802 3.879 5.498 1.00 0.00 H new ATOM 61 N LYS A 5 -9.426 1.737 9.463 1.00 0.00 N ATOM 62 CA LYS A 5 -8.444 1.408 10.492 1.00 0.00 C ATOM 63 C LYS A 5 -7.666 0.149 10.118 1.00 0.00 C ATOM 64 O LYS A 5 -6.473 0.039 10.395 1.00 0.00 O ATOM 65 CB LYS A 5 -9.136 1.215 11.844 1.00 0.00 C ATOM 66 CG LYS A 5 -8.985 2.404 12.779 1.00 0.00 C ATOM 67 CD LYS A 5 -10.223 3.287 12.763 1.00 0.00 C ATOM 68 CE LYS A 5 -9.860 4.759 12.879 1.00 0.00 C ATOM 69 NZ LYS A 5 -9.856 5.436 11.553 1.00 0.00 N ATOM 0 H LYS A 5 -10.384 1.818 9.805 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.741 2.237 10.568 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.197 1.027 11.677 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.728 0.328 12.329 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.803 2.049 13.794 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.115 2.991 12.485 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.778 3.120 11.840 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.881 3.008 13.586 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.570 5.257 13.539 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.876 4.855 13.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.704 6.456 11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.092 5.045 10.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.769 5.280 11.081 1.00 0.00 H new ATOM 83 N ALA A 6 -8.353 -0.794 9.483 1.00 0.00 N ATOM 84 CA ALA A 6 -7.730 -2.045 9.065 1.00 0.00 C ATOM 85 C ALA A 6 -6.871 -1.838 7.822 1.00 0.00 C ATOM 86 O ALA A 6 -5.924 -2.585 7.577 1.00 0.00 O ATOM 87 CB ALA A 6 -8.792 -3.102 8.806 1.00 0.00 C ATOM 0 H ALA A 6 -9.342 -0.716 9.246 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.082 -2.389 9.871 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.313 -4.030 8.495 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.362 -3.276 9.718 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.463 -2.758 8.019 1.00 0.00 H new ATOM 93 N LEU A 7 -7.212 -0.821 7.036 1.00 0.00 N ATOM 94 CA LEU A 7 -6.479 -0.514 5.813 1.00 0.00 C ATOM 95 C LEU A 7 -5.059 -0.044 6.121 1.00 0.00 C ATOM 96 O LEU A 7 -4.150 -0.212 5.308 1.00 0.00 O ATOM 97 CB LEU A 7 -7.219 0.563 5.016 1.00 0.00 C ATOM 98 CG LEU A 7 -7.177 0.390 3.498 1.00 0.00 C ATOM 99 CD1 LEU A 7 -7.986 1.483 2.816 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.740 0.399 3.000 1.00 0.00 C ATOM 0 H LEU A 7 -7.994 -0.194 7.226 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.415 -1.427 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.261 0.578 5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.794 1.535 5.267 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.621 -0.574 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.946 1.345 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.022 1.431 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.571 2.457 3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.729 0.275 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.270 1.347 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.189 -0.419 3.464 1.00 0.00 H new ATOM 112 N GLU A 8 -4.877 0.554 7.295 1.00 0.00 N ATOM 113 CA GLU A 8 -3.569 1.057 7.701 1.00 0.00 C ATOM 114 C GLU A 8 -2.663 -0.067 8.198 1.00 0.00 C ATOM 115 O GLU A 8 -1.445 -0.011 8.031 1.00 0.00 O ATOM 116 CB GLU A 8 -3.728 2.118 8.792 1.00 0.00 C ATOM 117 CG GLU A 8 -4.312 3.427 8.286 1.00 0.00 C ATOM 118 CD GLU A 8 -4.472 4.458 9.386 1.00 0.00 C ATOM 119 OE1 GLU A 8 -5.122 4.144 10.404 1.00 0.00 O ATOM 120 OE2 GLU A 8 -3.947 5.580 9.228 1.00 0.00 O ATOM 0 H GLU A 8 -5.618 0.702 7.981 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.100 1.504 6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.370 1.724 9.580 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.755 2.314 9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.667 3.831 7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.283 3.235 7.829 1.00 0.00 H new ATOM 127 N GLU A 9 -3.259 -1.081 8.816 1.00 0.00 N ATOM 128 CA GLU A 9 -2.493 -2.209 9.340 1.00 0.00 C ATOM 129 C GLU A 9 -2.067 -3.162 8.224 1.00 0.00 C ATOM 130 O GLU A 9 -1.129 -3.941 8.389 1.00 0.00 O ATOM 131 CB GLU A 9 -3.309 -2.962 10.396 1.00 0.00 C ATOM 132 CG GLU A 9 -4.465 -3.768 9.823 1.00 0.00 C ATOM 133 CD GLU A 9 -4.436 -5.220 10.259 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.327 -5.781 10.383 1.00 0.00 O ATOM 135 OE2 GLU A 9 -5.523 -5.796 10.477 1.00 0.00 O ATOM 0 H GLU A 9 -4.266 -1.146 8.967 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.590 -1.811 9.804 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.646 -3.633 10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.701 -2.245 11.117 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.407 -3.317 10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.433 -3.719 8.735 1.00 0.00 H new ATOM 142 N LYS A 10 -2.760 -3.096 7.091 1.00 0.00 N ATOM 143 CA LYS A 10 -2.448 -3.958 5.955 1.00 0.00 C ATOM 144 C LYS A 10 -1.180 -3.488 5.247 1.00 0.00 C ATOM 145 O LYS A 10 -0.234 -4.257 5.072 1.00 0.00 O ATOM 146 CB LYS A 10 -3.622 -3.983 4.972 1.00 0.00 C ATOM 147 CG LYS A 10 -4.189 -5.373 4.739 1.00 0.00 C ATOM 148 CD LYS A 10 -5.707 -5.351 4.659 1.00 0.00 C ATOM 149 CE LYS A 10 -6.286 -6.756 4.644 1.00 0.00 C ATOM 150 NZ LYS A 10 -7.547 -6.846 5.431 1.00 0.00 N ATOM 0 H LYS A 10 -3.539 -2.457 6.935 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.277 -4.967 6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.414 -3.335 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.296 -3.568 4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.781 -5.783 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.876 -6.035 5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.109 -4.800 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.017 -4.819 3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.478 -7.058 3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.554 -7.454 5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.910 -7.820 5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.359 -6.582 6.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.254 -6.199 5.029 1.00 0.00 H new ATOM 164 N VAL A 11 -1.169 -2.223 4.841 1.00 0.00 N ATOM 165 CA VAL A 11 -0.021 -1.647 4.151 1.00 0.00 C ATOM 166 C VAL A 11 1.207 -1.620 5.050 1.00 0.00 C ATOM 167 O VAL A 11 2.335 -1.689 4.571 1.00 0.00 O ATOM 168 CB VAL A 11 -0.312 -0.216 3.657 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.778 0.253 2.706 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.680 -0.145 2.993 1.00 0.00 C ATOM 0 H VAL A 11 -1.945 -1.575 4.979 1.00 0.00 H new ATOM 0 HA VAL A 11 0.175 -2.285 3.290 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.320 0.451 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.555 1.265 2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.738 0.246 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.823 -0.415 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.866 0.873 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.707 -0.824 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.448 -0.433 3.711 1.00 0.00 H new ATOM 180 N LYS A 12 0.975 -1.515 6.349 1.00 0.00 N ATOM 181 CA LYS A 12 2.061 -1.477 7.328 1.00 0.00 C ATOM 182 C LYS A 12 2.904 -2.741 7.236 1.00 0.00 C ATOM 183 O LYS A 12 4.128 -2.696 7.370 1.00 0.00 O ATOM 184 CB LYS A 12 1.499 -1.323 8.743 1.00 0.00 C ATOM 185 CG LYS A 12 2.496 -0.738 9.733 1.00 0.00 C ATOM 186 CD LYS A 12 2.480 -1.489 11.055 1.00 0.00 C ATOM 187 CE LYS A 12 3.836 -1.439 11.741 1.00 0.00 C ATOM 188 NZ LYS A 12 3.892 -2.332 12.930 1.00 0.00 N ATOM 0 H LYS A 12 0.042 -1.454 6.756 1.00 0.00 H new ATOM 0 HA LYS A 12 2.693 -0.617 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.617 -0.684 8.707 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.171 -2.298 9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.498 -0.775 9.305 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.262 0.312 9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.723 -1.058 11.710 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.197 -2.527 10.881 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.612 -1.729 11.032 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.050 -0.415 12.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.833 -2.268 13.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.169 -2.040 13.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.713 -3.313 12.636 1.00 0.00 H new ATOM 202 N ALA A 13 2.245 -3.865 6.979 1.00 0.00 N ATOM 203 CA ALA A 13 2.938 -5.140 6.837 1.00 0.00 C ATOM 204 C ALA A 13 3.563 -5.225 5.450 1.00 0.00 C ATOM 205 O ALA A 13 4.533 -5.946 5.225 1.00 0.00 O ATOM 206 CB ALA A 13 1.979 -6.299 7.064 1.00 0.00 C ATOM 0 H ALA A 13 1.233 -3.919 6.865 1.00 0.00 H new ATOM 0 HA ALA A 13 3.725 -5.204 7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.515 -7.242 6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.562 -6.234 8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.172 -6.252 6.332 1.00 0.00 H new ATOM 212 N LEU A 14 2.988 -4.461 4.532 1.00 0.00 N ATOM 213 CA LEU A 14 3.448 -4.396 3.157 1.00 0.00 C ATOM 214 C LEU A 14 4.835 -3.753 3.076 1.00 0.00 C ATOM 215 O LEU A 14 5.587 -3.984 2.130 1.00 0.00 O ATOM 216 CB LEU A 14 2.436 -3.593 2.338 1.00 0.00 C ATOM 217 CG LEU A 14 2.379 -3.923 0.848 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.980 -3.665 0.311 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.404 -3.111 0.074 1.00 0.00 C ATOM 0 H LEU A 14 2.183 -3.865 4.725 1.00 0.00 H new ATOM 0 HA LEU A 14 3.529 -5.406 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.445 -3.750 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.666 -2.533 2.448 1.00 0.00 H new ATOM 0 HG LEU A 14 2.618 -4.979 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.949 -3.903 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.264 -4.291 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.723 -2.616 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.344 -3.364 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.201 -2.048 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.403 -3.338 0.445 1.00 0.00 H new ATOM 231 N GLU A 15 5.155 -2.931 4.074 1.00 0.00 N ATOM 232 CA GLU A 15 6.432 -2.230 4.127 1.00 0.00 C ATOM 233 C GLU A 15 7.577 -3.172 4.501 1.00 0.00 C ATOM 234 O GLU A 15 8.613 -3.192 3.836 1.00 0.00 O ATOM 235 CB GLU A 15 6.341 -1.076 5.132 1.00 0.00 C ATOM 236 CG GLU A 15 7.671 -0.398 5.420 1.00 0.00 C ATOM 237 CD GLU A 15 7.573 0.631 6.528 1.00 0.00 C ATOM 238 OE1 GLU A 15 7.410 0.228 7.700 1.00 0.00 O ATOM 239 OE2 GLU A 15 7.661 1.840 6.227 1.00 0.00 O ATOM 0 H GLU A 15 4.539 -2.734 4.863 1.00 0.00 H new ATOM 0 HA GLU A 15 6.646 -1.834 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.641 -0.332 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.928 -1.454 6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.407 -1.153 5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.033 0.085 4.512 1.00 0.00 H new ATOM 246 N GLU A 16 7.393 -3.942 5.569 1.00 0.00 N ATOM 247 CA GLU A 16 8.424 -4.873 6.024 1.00 0.00 C ATOM 248 C GLU A 16 8.923 -5.753 4.879 1.00 0.00 C ATOM 249 O GLU A 16 10.055 -6.237 4.904 1.00 0.00 O ATOM 250 CB GLU A 16 7.887 -5.743 7.165 1.00 0.00 C ATOM 251 CG GLU A 16 6.866 -6.779 6.720 1.00 0.00 C ATOM 252 CD GLU A 16 5.623 -6.793 7.591 1.00 0.00 C ATOM 253 OE1 GLU A 16 5.636 -6.149 8.661 1.00 0.00 O ATOM 254 OE2 GLU A 16 4.635 -7.452 7.202 1.00 0.00 O ATOM 0 H GLU A 16 6.544 -3.941 6.134 1.00 0.00 H new ATOM 0 HA GLU A 16 9.267 -4.287 6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.723 -6.253 7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.432 -5.099 7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.578 -6.579 5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.327 -7.767 6.737 1.00 0.00 H new ATOM 261 N LYS A 17 8.073 -5.955 3.877 1.00 0.00 N ATOM 262 CA LYS A 17 8.430 -6.775 2.725 1.00 0.00 C ATOM 263 C LYS A 17 9.386 -6.032 1.794 1.00 0.00 C ATOM 264 O LYS A 17 10.364 -6.602 1.312 1.00 0.00 O ATOM 265 CB LYS A 17 7.172 -7.188 1.959 1.00 0.00 C ATOM 266 CG LYS A 17 7.408 -8.304 0.955 1.00 0.00 C ATOM 267 CD LYS A 17 6.166 -9.161 0.773 1.00 0.00 C ATOM 268 CE LYS A 17 5.221 -8.566 -0.259 1.00 0.00 C ATOM 269 NZ LYS A 17 5.052 -9.462 -1.438 1.00 0.00 N ATOM 0 H LYS A 17 7.132 -5.562 3.840 1.00 0.00 H new ATOM 0 HA LYS A 17 8.936 -7.668 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.412 -7.507 2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.774 -6.319 1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.700 -7.876 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.236 -8.928 1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.458 -10.165 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.648 -9.259 1.727 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.250 -8.383 0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.604 -7.600 -0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.362 -9.045 -2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.966 -9.575 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.710 -10.392 -1.121 1.00 0.00 H new ATOM 283 N VAL A 18 9.093 -4.760 1.542 1.00 0.00 N ATOM 284 CA VAL A 18 9.926 -3.943 0.664 1.00 0.00 C ATOM 285 C VAL A 18 11.187 -3.472 1.377 1.00 0.00 C ATOM 286 O VAL A 18 12.301 -3.710 0.915 1.00 0.00 O ATOM 287 CB VAL A 18 9.167 -2.711 0.143 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.858 -2.134 -1.084 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.718 -3.057 -0.166 1.00 0.00 C ATOM 0 H VAL A 18 8.286 -4.273 1.932 1.00 0.00 H new ATOM 0 HA VAL A 18 10.198 -4.578 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 18 9.173 -1.953 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.305 -1.263 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.874 -1.838 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.890 -2.887 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.202 -2.170 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.684 -3.837 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.228 -3.413 0.740 1.00 0.00 H new ATOM 299 N LYS A 19 11.006 -2.794 2.506 1.00 0.00 N ATOM 300 CA LYS A 19 12.134 -2.286 3.277 1.00 0.00 C ATOM 301 C LYS A 19 13.154 -3.387 3.559 1.00 0.00 C ATOM 302 O LYS A 19 14.333 -3.111 3.782 1.00 0.00 O ATOM 303 CB LYS A 19 11.647 -1.676 4.592 1.00 0.00 C ATOM 304 CG LYS A 19 11.009 -0.308 4.421 1.00 0.00 C ATOM 305 CD LYS A 19 11.498 0.674 5.474 1.00 0.00 C ATOM 306 CE LYS A 19 10.753 1.997 5.389 1.00 0.00 C ATOM 307 NZ LYS A 19 10.906 2.802 6.632 1.00 0.00 N ATOM 0 H LYS A 19 10.091 -2.584 2.906 1.00 0.00 H new ATOM 0 HA LYS A 19 12.623 -1.514 2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.925 -2.351 5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.489 -1.593 5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.238 0.079 3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.925 -0.401 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.364 0.243 6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.566 0.847 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.124 2.569 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.695 1.807 5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.383 3.696 6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.528 2.268 7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.913 3.006 6.792 1.00 0.00 H new ATOM 321 N ALA A 20 12.695 -4.636 3.542 1.00 0.00 N ATOM 322 CA ALA A 20 13.569 -5.774 3.792 1.00 0.00 C ATOM 323 C ALA A 20 14.233 -6.252 2.503 1.00 0.00 C ATOM 324 O ALA A 20 15.242 -6.955 2.539 1.00 0.00 O ATOM 325 CB ALA A 20 12.786 -6.909 4.435 1.00 0.00 C ATOM 0 H ALA A 20 11.723 -4.883 3.358 1.00 0.00 H new ATOM 0 HA ALA A 20 14.354 -5.453 4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.451 -7.753 4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.364 -6.570 5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.981 -7.218 3.769 1.00 0.00 H new ATOM 331 N LEU A 21 13.660 -5.868 1.364 1.00 0.00 N ATOM 332 CA LEU A 21 14.202 -6.260 0.069 1.00 0.00 C ATOM 333 C LEU A 21 14.969 -5.105 -0.570 1.00 0.00 C ATOM 334 O LEU A 21 14.770 -3.944 -0.214 1.00 0.00 O ATOM 335 CB LEU A 21 13.075 -6.740 -0.857 1.00 0.00 C ATOM 336 CG LEU A 21 12.290 -5.639 -1.577 1.00 0.00 C ATOM 337 CD1 LEU A 21 13.044 -5.158 -2.804 1.00 0.00 C ATOM 338 CD2 LEU A 21 10.907 -6.142 -1.962 1.00 0.00 C ATOM 0 H LEU A 21 12.823 -5.287 1.314 1.00 0.00 H new ATOM 0 HA LEU A 21 14.899 -7.084 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.505 -7.404 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.375 -7.334 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 21 12.175 -4.796 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.469 -4.376 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.013 -4.760 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.192 -5.992 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.361 -5.349 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.004 -7.001 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.364 -6.437 -1.064 1.00 0.00 H new ATOM 350 N GLY A 22 15.848 -5.432 -1.511 1.00 0.00 N ATOM 351 CA GLY A 22 16.631 -4.410 -2.180 1.00 0.00 C ATOM 352 C GLY A 22 16.907 -4.743 -3.633 1.00 0.00 C ATOM 353 O GLY A 22 17.087 -5.909 -3.987 1.00 0.00 O ATOM 0 H GLY A 22 16.032 -6.386 -1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.103 -3.458 -2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.577 -4.281 -1.655 1.00 0.00 H new ATOM 357 N GLY A 23 16.942 -3.717 -4.477 1.00 0.00 N ATOM 358 CA GLY A 23 17.200 -3.927 -5.890 1.00 0.00 C ATOM 359 C GLY A 23 17.037 -2.657 -6.703 1.00 0.00 C ATOM 360 O GLY A 23 17.621 -1.624 -6.376 1.00 0.00 O ATOM 0 H GLY A 23 16.796 -2.744 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 23 18.212 -4.310 -6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 23 16.520 -4.689 -6.271 1.00 0.00 H new ATOM 364 N GLY A 24 16.244 -2.735 -7.766 1.00 0.00 N ATOM 365 CA GLY A 24 16.022 -1.575 -8.611 1.00 0.00 C ATOM 366 C GLY A 24 14.974 -1.827 -9.677 1.00 0.00 C ATOM 367 O GLY A 24 14.739 -2.970 -10.070 1.00 0.00 O ATOM 0 H GLY A 24 15.751 -3.579 -8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.712 -0.733 -7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.960 -1.292 -9.088 1.00 0.00 H new ATOM 371 N GLY A 25 14.342 -0.757 -10.149 1.00 0.00 N ATOM 372 CA GLY A 25 13.321 -0.890 -11.172 1.00 0.00 C ATOM 373 C GLY A 25 11.929 -1.029 -10.587 1.00 0.00 C ATOM 374 O GLY A 25 11.337 -0.049 -10.135 1.00 0.00 O ATOM 0 H GLY A 25 14.519 0.199 -9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.351 -0.019 -11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.541 -1.761 -11.790 1.00 0.00 H new ATOM 378 N ARG A 26 11.406 -2.251 -10.593 1.00 0.00 N ATOM 379 CA ARG A 26 10.075 -2.516 -10.057 1.00 0.00 C ATOM 380 C ARG A 26 9.968 -2.064 -8.604 1.00 0.00 C ATOM 381 O ARG A 26 8.886 -1.732 -8.124 1.00 0.00 O ATOM 382 CB ARG A 26 9.738 -4.009 -10.168 1.00 0.00 C ATOM 383 CG ARG A 26 10.445 -4.875 -9.136 1.00 0.00 C ATOM 384 CD ARG A 26 11.944 -4.898 -9.367 1.00 0.00 C ATOM 385 NE ARG A 26 12.575 -6.071 -8.765 1.00 0.00 N ATOM 386 CZ ARG A 26 13.884 -6.308 -8.796 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.705 -5.458 -9.399 1.00 0.00 N ATOM 388 NH2 ARG A 26 14.373 -7.399 -8.222 1.00 0.00 N ATOM 0 H ARG A 26 11.883 -3.073 -10.963 1.00 0.00 H new ATOM 0 HA ARG A 26 9.358 -1.946 -10.648 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.661 -4.138 -10.061 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.003 -4.359 -11.166 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.235 -4.496 -8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.053 -5.891 -9.181 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.146 -4.888 -10.438 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.388 -3.994 -8.951 1.00 0.00 H new ATOM 0 HE ARG A 26 11.976 -6.748 -8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.334 -4.618 -9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.708 -5.645 -9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.746 -8.056 -7.757 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.376 -7.582 -8.245 1.00 0.00 H new ATOM 402 N ILE A 27 11.098 -2.063 -7.904 1.00 0.00 N ATOM 403 CA ILE A 27 11.131 -1.666 -6.505 1.00 0.00 C ATOM 404 C ILE A 27 10.992 -0.153 -6.349 1.00 0.00 C ATOM 405 O ILE A 27 10.480 0.330 -5.339 1.00 0.00 O ATOM 406 CB ILE A 27 12.432 -2.128 -5.819 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.614 -3.637 -5.987 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.420 -1.755 -4.342 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.994 -4.126 -5.607 1.00 0.00 C ATOM 0 H ILE A 27 12.004 -2.334 -8.286 1.00 0.00 H new ATOM 0 HA ILE A 27 10.282 -2.152 -6.023 1.00 0.00 H new ATOM 0 HB ILE A 27 13.272 -1.621 -6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.874 -4.154 -5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.415 -3.905 -7.025 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.346 -2.089 -3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.332 -0.673 -4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.573 -2.235 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 27 14.050 -5.205 -5.751 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.739 -3.637 -6.234 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.189 -3.889 -4.561 1.00 0.00 H new ATOM 421 N GLU A 28 11.462 0.588 -7.346 1.00 0.00 N ATOM 422 CA GLU A 28 11.401 2.046 -7.310 1.00 0.00 C ATOM 423 C GLU A 28 9.960 2.553 -7.323 1.00 0.00 C ATOM 424 O GLU A 28 9.554 3.300 -6.436 1.00 0.00 O ATOM 425 CB GLU A 28 12.174 2.638 -8.490 1.00 0.00 C ATOM 426 CG GLU A 28 13.144 3.738 -8.091 1.00 0.00 C ATOM 427 CD GLU A 28 14.587 3.272 -8.096 1.00 0.00 C ATOM 428 OE1 GLU A 28 14.929 2.408 -8.931 1.00 0.00 O ATOM 429 OE2 GLU A 28 15.375 3.771 -7.265 1.00 0.00 O ATOM 0 H GLU A 28 11.889 0.204 -8.189 1.00 0.00 H new ATOM 0 HA GLU A 28 11.861 2.371 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.726 1.841 -8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.465 3.036 -9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.035 4.579 -8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.887 4.101 -7.096 1.00 0.00 H new ATOM 436 N GLU A 29 9.195 2.153 -8.333 1.00 0.00 N ATOM 437 CA GLU A 29 7.802 2.584 -8.455 1.00 0.00 C ATOM 438 C GLU A 29 6.976 2.124 -7.257 1.00 0.00 C ATOM 439 O GLU A 29 6.090 2.840 -6.790 1.00 0.00 O ATOM 440 CB GLU A 29 7.191 2.038 -9.750 1.00 0.00 C ATOM 441 CG GLU A 29 5.698 2.310 -9.887 1.00 0.00 C ATOM 442 CD GLU A 29 5.330 2.870 -11.247 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.002 2.515 -12.238 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.370 3.666 -11.321 1.00 0.00 O ATOM 0 H GLU A 29 9.512 1.533 -9.078 1.00 0.00 H new ATOM 0 HA GLU A 29 7.788 3.674 -8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.711 2.479 -10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.361 0.962 -9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.147 1.385 -9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.388 3.012 -9.113 1.00 0.00 H new ATOM 451 N LEU A 30 7.264 0.923 -6.774 1.00 0.00 N ATOM 452 CA LEU A 30 6.543 0.357 -5.640 1.00 0.00 C ATOM 453 C LEU A 30 6.826 1.122 -4.349 1.00 0.00 C ATOM 454 O LEU A 30 6.054 1.047 -3.396 1.00 0.00 O ATOM 455 CB LEU A 30 6.912 -1.117 -5.466 1.00 0.00 C ATOM 456 CG LEU A 30 6.489 -2.029 -6.619 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.173 -3.382 -6.508 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.977 -2.193 -6.638 1.00 0.00 C ATOM 0 H LEU A 30 7.995 0.319 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 30 5.477 0.443 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.992 -1.193 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.457 -1.484 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 30 6.797 -1.566 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.860 -4.017 -7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.254 -3.247 -6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.896 -3.853 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.692 -2.845 -7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.647 -2.634 -5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.507 -1.218 -6.766 1.00 0.00 H new ATOM 470 N LYS A 31 7.943 1.843 -4.314 1.00 0.00 N ATOM 471 CA LYS A 31 8.326 2.602 -3.126 1.00 0.00 C ATOM 472 C LYS A 31 7.539 3.905 -3.002 1.00 0.00 C ATOM 473 O LYS A 31 6.855 4.129 -2.009 1.00 0.00 O ATOM 474 CB LYS A 31 9.825 2.906 -3.163 1.00 0.00 C ATOM 475 CG LYS A 31 10.325 3.647 -1.934 1.00 0.00 C ATOM 476 CD LYS A 31 11.669 3.112 -1.469 1.00 0.00 C ATOM 477 CE LYS A 31 11.514 2.161 -0.292 1.00 0.00 C ATOM 478 NZ LYS A 31 12.592 2.346 0.719 1.00 0.00 N ATOM 0 H LYS A 31 8.598 1.918 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 31 8.093 1.989 -2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.375 1.970 -3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.045 3.500 -4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.414 4.710 -2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.596 3.552 -1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.161 2.595 -2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.314 3.943 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.544 2.321 0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.527 1.132 -0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.450 1.679 1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.517 2.168 0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.564 3.320 1.082 1.00 0.00 H new ATOM 492 N LYS A 32 7.652 4.766 -4.006 1.00 0.00 N ATOM 493 CA LYS A 32 6.962 6.055 -4.000 1.00 0.00 C ATOM 494 C LYS A 32 5.463 5.894 -3.758 1.00 0.00 C ATOM 495 O LYS A 32 4.833 6.741 -3.123 1.00 0.00 O ATOM 496 CB LYS A 32 7.199 6.782 -5.325 1.00 0.00 C ATOM 497 CG LYS A 32 7.549 8.252 -5.160 1.00 0.00 C ATOM 498 CD LYS A 32 8.503 8.723 -6.245 1.00 0.00 C ATOM 499 CE LYS A 32 9.074 10.095 -5.928 1.00 0.00 C ATOM 500 NZ LYS A 32 10.401 10.306 -6.569 1.00 0.00 N ATOM 0 H LYS A 32 8.216 4.596 -4.838 1.00 0.00 H new ATOM 0 HA LYS A 32 7.371 6.645 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.005 6.284 -5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.304 6.697 -5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.638 8.850 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.002 8.412 -4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.316 8.005 -6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.980 8.757 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.380 10.864 -6.268 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.171 10.207 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.756 11.253 -6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.070 9.588 -6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.305 10.224 -7.601 1.00 0.00 H new ATOM 514 N LYS A 33 4.896 4.812 -4.276 1.00 0.00 N ATOM 515 CA LYS A 33 3.468 4.546 -4.128 1.00 0.00 C ATOM 516 C LYS A 33 3.146 3.906 -2.777 1.00 0.00 C ATOM 517 O LYS A 33 2.020 4.000 -2.294 1.00 0.00 O ATOM 518 CB LYS A 33 2.976 3.648 -5.265 1.00 0.00 C ATOM 519 CG LYS A 33 1.733 4.178 -5.963 1.00 0.00 C ATOM 520 CD LYS A 33 0.476 3.878 -5.162 1.00 0.00 C ATOM 521 CE LYS A 33 0.161 2.390 -5.152 1.00 0.00 C ATOM 522 NZ LYS A 33 -0.958 2.052 -6.074 1.00 0.00 N ATOM 0 H LYS A 33 5.403 4.102 -4.804 1.00 0.00 H new ATOM 0 HA LYS A 33 2.949 5.504 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.774 3.534 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.764 2.655 -4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.826 5.254 -6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.651 3.730 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.603 4.231 -4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.366 4.426 -5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.050 1.829 -5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.097 2.081 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.107 1.023 -6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.826 2.527 -5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.723 2.369 -7.036 1.00 0.00 H new ATOM 536 N CYS A 34 4.130 3.236 -2.187 1.00 0.00 N ATOM 537 CA CYS A 34 3.941 2.562 -0.902 1.00 0.00 C ATOM 538 C CYS A 34 3.632 3.547 0.225 1.00 0.00 C ATOM 539 O CYS A 34 2.606 3.436 0.897 1.00 0.00 O ATOM 540 CB CYS A 34 5.205 1.778 -0.546 1.00 0.00 C ATOM 541 SG CYS A 34 4.904 0.037 -0.102 1.00 0.00 S ATOM 0 H CYS A 34 5.068 3.144 -2.576 1.00 0.00 H new ATOM 0 HA CYS A 34 3.088 1.891 -1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.891 1.812 -1.393 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.703 2.273 0.288 1.00 0.00 H new ATOM 546 N GLU A 35 4.538 4.493 0.439 1.00 0.00 N ATOM 547 CA GLU A 35 4.379 5.483 1.502 1.00 0.00 C ATOM 548 C GLU A 35 3.240 6.455 1.208 1.00 0.00 C ATOM 549 O GLU A 35 2.418 6.733 2.079 1.00 0.00 O ATOM 550 CB GLU A 35 5.684 6.252 1.717 1.00 0.00 C ATOM 551 CG GLU A 35 6.279 6.804 0.436 1.00 0.00 C ATOM 552 CD GLU A 35 6.544 8.295 0.508 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.601 9.078 0.270 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.695 8.680 0.803 1.00 0.00 O ATOM 0 H GLU A 35 5.392 4.597 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 35 4.127 4.942 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.502 7.075 2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.411 5.593 2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.212 6.283 0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.601 6.599 -0.392 1.00 0.00 H new ATOM 561 N GLU A 36 3.192 6.971 -0.014 1.00 0.00 N ATOM 562 CA GLU A 36 2.146 7.911 -0.407 1.00 0.00 C ATOM 563 C GLU A 36 0.762 7.318 -0.155 1.00 0.00 C ATOM 564 O GLU A 36 -0.207 8.042 0.075 1.00 0.00 O ATOM 565 CB GLU A 36 2.294 8.283 -1.884 1.00 0.00 C ATOM 566 CG GLU A 36 1.374 9.410 -2.322 1.00 0.00 C ATOM 567 CD GLU A 36 0.755 9.162 -3.683 1.00 0.00 C ATOM 568 OE1 GLU A 36 0.427 7.995 -3.983 1.00 0.00 O ATOM 569 OE2 GLU A 36 0.599 10.136 -4.451 1.00 0.00 O ATOM 0 H GLU A 36 3.864 6.756 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 36 2.253 8.811 0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.327 8.573 -2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.092 7.402 -2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.582 9.535 -1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.936 10.344 -2.347 1.00 0.00 H new ATOM 576 N LEU A 37 0.685 5.996 -0.211 1.00 0.00 N ATOM 577 CA LEU A 37 -0.566 5.277 -0.004 1.00 0.00 C ATOM 578 C LEU A 37 -1.026 5.369 1.451 1.00 0.00 C ATOM 579 O LEU A 37 -2.210 5.564 1.726 1.00 0.00 O ATOM 580 CB LEU A 37 -0.383 3.812 -0.419 1.00 0.00 C ATOM 581 CG LEU A 37 -1.444 2.832 0.089 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.845 3.351 -0.201 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.242 1.464 -0.543 1.00 0.00 C ATOM 0 H LEU A 37 1.485 5.392 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.339 5.736 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.364 3.763 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.592 3.475 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.335 2.738 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.581 2.638 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.988 4.311 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.971 3.477 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.003 0.777 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.324 1.548 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.254 1.085 -0.283 1.00 0.00 H new ATOM 595 N LYS A 38 -0.087 5.223 2.378 1.00 0.00 N ATOM 596 CA LYS A 38 -0.402 5.283 3.803 1.00 0.00 C ATOM 597 C LYS A 38 -1.017 6.630 4.182 1.00 0.00 C ATOM 598 O LYS A 38 -2.129 6.688 4.708 1.00 0.00 O ATOM 599 CB LYS A 38 0.859 5.034 4.634 1.00 0.00 C ATOM 600 CG LYS A 38 0.978 3.605 5.143 1.00 0.00 C ATOM 601 CD LYS A 38 2.229 2.923 4.611 1.00 0.00 C ATOM 602 CE LYS A 38 3.329 2.881 5.659 1.00 0.00 C ATOM 603 NZ LYS A 38 4.294 4.004 5.498 1.00 0.00 N ATOM 0 H LYS A 38 0.899 5.062 2.170 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.134 4.504 4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.735 5.270 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.865 5.716 5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.000 3.607 6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.098 3.037 4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.986 1.908 4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.586 3.453 3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.885 2.924 6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.861 1.932 5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.774 4.182 6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.999 3.755 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.784 4.861 5.203 1.00 0.00 H new ATOM 617 N LYS A 39 -0.285 7.708 3.920 1.00 0.00 N ATOM 618 CA LYS A 39 -0.750 9.054 4.239 1.00 0.00 C ATOM 619 C LYS A 39 -2.164 9.295 3.715 1.00 0.00 C ATOM 620 O LYS A 39 -2.942 10.030 4.322 1.00 0.00 O ATOM 621 CB LYS A 39 0.205 10.096 3.654 1.00 0.00 C ATOM 622 CG LYS A 39 0.361 9.997 2.146 1.00 0.00 C ATOM 623 CD LYS A 39 1.426 10.954 1.634 1.00 0.00 C ATOM 624 CE LYS A 39 0.924 12.388 1.618 1.00 0.00 C ATOM 625 NZ LYS A 39 1.446 13.148 0.448 1.00 0.00 N ATOM 0 H LYS A 39 0.637 7.675 3.485 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.770 9.150 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.156 11.092 3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.184 9.983 4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.626 8.976 1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.591 10.219 1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.312 10.885 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.727 10.661 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.166 12.391 1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.225 12.888 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.080 14.121 0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.485 13.168 0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.138 12.686 -0.431 1.00 0.00 H new ATOM 639 N LYS A 40 -2.489 8.675 2.586 1.00 0.00 N ATOM 640 CA LYS A 40 -3.811 8.827 1.988 1.00 0.00 C ATOM 641 C LYS A 40 -4.885 8.206 2.875 1.00 0.00 C ATOM 642 O LYS A 40 -6.042 8.622 2.845 1.00 0.00 O ATOM 643 CB LYS A 40 -3.845 8.190 0.598 1.00 0.00 C ATOM 644 CG LYS A 40 -5.103 8.518 -0.191 1.00 0.00 C ATOM 645 CD LYS A 40 -4.931 8.209 -1.669 1.00 0.00 C ATOM 646 CE LYS A 40 -5.964 8.937 -2.513 1.00 0.00 C ATOM 647 NZ LYS A 40 -7.321 8.339 -2.371 1.00 0.00 N ATOM 0 H LYS A 40 -1.858 8.064 2.068 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.017 9.893 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.975 8.524 0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.763 7.108 0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.942 7.946 0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.348 9.573 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.930 8.498 -1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.019 7.135 -1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.998 9.986 -2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.663 8.908 -3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.989 8.843 -2.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.288 7.336 -2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.634 8.420 -1.383 1.00 0.00 H new ATOM 661 N ILE A 41 -4.497 7.212 3.667 1.00 0.00 N ATOM 662 CA ILE A 41 -5.433 6.546 4.564 1.00 0.00 C ATOM 663 C ILE A 41 -5.748 7.432 5.763 1.00 0.00 C ATOM 664 O ILE A 41 -6.857 7.404 6.295 1.00 0.00 O ATOM 665 CB ILE A 41 -4.882 5.196 5.064 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.243 4.418 3.909 1.00 0.00 C ATOM 667 CG2 ILE A 41 -5.995 4.381 5.710 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.776 3.030 4.293 1.00 0.00 C ATOM 0 H ILE A 41 -3.544 6.851 3.706 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.344 6.359 3.995 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.114 5.387 5.813 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.964 4.337 3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.394 4.985 3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.594 3.430 6.059 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.407 4.933 6.555 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.782 4.196 4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.335 2.541 3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.031 3.103 5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.625 2.445 4.646 1.00 0.00 H new ATOM 680 N GLU A 42 -4.764 8.225 6.176 1.00 0.00 N ATOM 681 CA GLU A 42 -4.936 9.129 7.306 1.00 0.00 C ATOM 682 C GLU A 42 -5.928 10.232 6.958 1.00 0.00 C ATOM 683 O GLU A 42 -6.674 10.705 7.815 1.00 0.00 O ATOM 684 CB GLU A 42 -3.592 9.740 7.708 1.00 0.00 C ATOM 685 CG GLU A 42 -2.475 8.719 7.845 1.00 0.00 C ATOM 686 CD GLU A 42 -1.199 9.323 8.396 1.00 0.00 C ATOM 687 OE1 GLU A 42 -1.292 10.232 9.248 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.106 8.887 7.977 1.00 0.00 O ATOM 0 H GLU A 42 -3.840 8.259 5.745 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.328 8.558 8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.304 10.484 6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.710 10.266 8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.803 7.912 8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.272 8.275 6.870 1.00 0.00 H new ATOM 695 N GLU A 43 -5.934 10.633 5.691 1.00 0.00 N ATOM 696 CA GLU A 43 -6.839 11.675 5.222 1.00 0.00 C ATOM 697 C GLU A 43 -8.262 11.135 5.106 1.00 0.00 C ATOM 698 O GLU A 43 -9.236 11.871 5.264 1.00 0.00 O ATOM 699 CB GLU A 43 -6.363 12.229 3.872 1.00 0.00 C ATOM 700 CG GLU A 43 -6.576 11.287 2.695 1.00 0.00 C ATOM 701 CD GLU A 43 -7.184 11.984 1.493 1.00 0.00 C ATOM 702 OE1 GLU A 43 -6.851 13.165 1.260 1.00 0.00 O ATOM 703 OE2 GLU A 43 -7.994 11.348 0.785 1.00 0.00 O ATOM 0 H GLU A 43 -5.321 10.251 4.970 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.838 12.487 5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.886 13.164 3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.302 12.466 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.621 10.846 2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.226 10.468 3.003 1.00 0.00 H new ATOM 710 N LEU A 44 -8.366 9.841 4.827 1.00 0.00 N ATOM 711 CA LEU A 44 -9.656 9.182 4.686 1.00 0.00 C ATOM 712 C LEU A 44 -10.467 9.288 5.974 1.00 0.00 C ATOM 713 O LEU A 44 -10.050 9.946 6.929 1.00 0.00 O ATOM 714 CB LEU A 44 -9.455 7.711 4.313 1.00 0.00 C ATOM 715 CG LEU A 44 -9.527 7.404 2.816 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.072 5.979 2.543 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.939 7.625 2.295 1.00 0.00 C ATOM 0 H LEU A 44 -7.565 9.224 4.693 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.210 9.682 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.484 7.387 4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.210 7.116 4.827 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.857 8.085 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.130 5.777 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.043 5.854 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.717 5.282 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.972 7.402 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.629 6.968 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.229 8.663 2.458 1.00 0.00 H new ATOM 729 N GLY A 45 -11.625 8.638 5.993 1.00 0.00 N ATOM 730 CA GLY A 45 -12.474 8.672 7.170 1.00 0.00 C ATOM 731 C GLY A 45 -13.040 7.308 7.516 1.00 0.00 C ATOM 732 O GLY A 45 -12.845 6.811 8.624 1.00 0.00 O ATOM 0 H GLY A 45 -11.991 8.089 5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.901 9.050 8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.294 9.371 7.003 1.00 0.00 H new ATOM 736 N GLY A 46 -13.742 6.703 6.563 1.00 0.00 N ATOM 737 CA GLY A 46 -14.327 5.394 6.792 1.00 0.00 C ATOM 738 C GLY A 46 -15.562 5.154 5.947 1.00 0.00 C ATOM 739 O GLY A 46 -16.583 4.682 6.447 1.00 0.00 O ATOM 0 H GLY A 46 -13.916 7.095 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.586 4.625 6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.587 5.295 7.846 1.00 0.00 H new ATOM 743 N GLY A 47 -15.469 5.477 4.660 1.00 0.00 N ATOM 744 CA GLY A 47 -16.594 5.285 3.764 1.00 0.00 C ATOM 745 C GLY A 47 -16.620 6.301 2.638 1.00 0.00 C ATOM 746 O GLY A 47 -16.142 7.424 2.797 1.00 0.00 O ATOM 0 H GLY A 47 -14.635 5.868 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -16.551 4.281 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.522 5.353 4.332 1.00 0.00 H new ATOM 750 N GLY A 48 -17.178 5.905 1.499 1.00 0.00 N ATOM 751 CA GLY A 48 -17.254 6.799 0.359 1.00 0.00 C ATOM 752 C GLY A 48 -16.046 6.682 -0.551 1.00 0.00 C ATOM 753 O GLY A 48 -16.101 6.015 -1.584 1.00 0.00 O ATOM 0 H GLY A 48 -17.579 4.980 1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -18.157 6.580 -0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -17.341 7.827 0.712 1.00 0.00 H new ATOM 757 N GLU A 49 -14.952 7.329 -0.165 1.00 0.00 N ATOM 758 CA GLU A 49 -13.724 7.294 -0.951 1.00 0.00 C ATOM 759 C GLU A 49 -12.779 6.207 -0.443 1.00 0.00 C ATOM 760 O GLU A 49 -11.855 5.799 -1.146 1.00 0.00 O ATOM 761 CB GLU A 49 -13.025 8.654 -0.904 1.00 0.00 C ATOM 762 CG GLU A 49 -12.199 8.955 -2.143 1.00 0.00 C ATOM 763 CD GLU A 49 -11.841 10.423 -2.262 1.00 0.00 C ATOM 764 OE1 GLU A 49 -11.858 11.124 -1.228 1.00 0.00 O ATOM 765 OE2 GLU A 49 -11.543 10.873 -3.388 1.00 0.00 O ATOM 0 H GLU A 49 -14.890 7.885 0.688 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.991 7.064 -1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.775 9.435 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.378 8.691 -0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.284 8.363 -2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.754 8.647 -3.029 1.00 0.00 H new ATOM 772 N VAL A 50 -13.017 5.741 0.781 1.00 0.00 N ATOM 773 CA VAL A 50 -12.187 4.703 1.382 1.00 0.00 C ATOM 774 C VAL A 50 -12.023 3.507 0.447 1.00 0.00 C ATOM 775 O VAL A 50 -11.008 2.813 0.482 1.00 0.00 O ATOM 776 CB VAL A 50 -12.781 4.221 2.720 1.00 0.00 C ATOM 777 CG1 VAL A 50 -14.133 3.557 2.503 1.00 0.00 C ATOM 778 CG2 VAL A 50 -11.819 3.275 3.422 1.00 0.00 C ATOM 0 H VAL A 50 -13.779 6.067 1.376 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.208 5.147 1.563 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.932 5.090 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.533 3.225 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.821 4.271 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.015 2.699 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.256 2.945 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.631 2.409 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.879 3.791 3.618 1.00 0.00 H new ATOM 788 N LYS A 51 -13.030 3.274 -0.387 1.00 0.00 N ATOM 789 CA LYS A 51 -13.001 2.162 -1.331 1.00 0.00 C ATOM 790 C LYS A 51 -11.911 2.363 -2.381 1.00 0.00 C ATOM 791 O LYS A 51 -11.337 1.397 -2.885 1.00 0.00 O ATOM 792 CB LYS A 51 -14.361 2.013 -2.016 1.00 0.00 C ATOM 793 CG LYS A 51 -14.855 3.290 -2.673 1.00 0.00 C ATOM 794 CD LYS A 51 -15.994 3.014 -3.641 1.00 0.00 C ATOM 795 CE LYS A 51 -16.044 4.050 -4.752 1.00 0.00 C ATOM 796 NZ LYS A 51 -15.262 3.626 -5.946 1.00 0.00 N ATOM 0 H LYS A 51 -13.877 3.840 -0.429 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.779 1.252 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.294 1.229 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.095 1.686 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.189 3.989 -1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.032 3.769 -3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.873 2.021 -4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.940 3.013 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.081 4.222 -5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.654 4.998 -4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.323 4.361 -6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.267 3.486 -5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.649 2.735 -6.316 1.00 0.00 H new ATOM 810 N LYS A 52 -11.632 3.620 -2.708 1.00 0.00 N ATOM 811 CA LYS A 52 -10.611 3.944 -3.700 1.00 0.00 C ATOM 812 C LYS A 52 -9.223 3.552 -3.200 1.00 0.00 C ATOM 813 O LYS A 52 -8.519 2.776 -3.845 1.00 0.00 O ATOM 814 CB LYS A 52 -10.650 5.439 -4.030 1.00 0.00 C ATOM 815 CG LYS A 52 -9.490 5.910 -4.892 1.00 0.00 C ATOM 816 CD LYS A 52 -9.453 5.180 -6.226 1.00 0.00 C ATOM 817 CE LYS A 52 -8.801 6.026 -7.308 1.00 0.00 C ATOM 818 NZ LYS A 52 -7.389 5.621 -7.554 1.00 0.00 N ATOM 0 H LYS A 52 -12.098 4.431 -2.301 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.822 3.375 -4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.585 5.664 -4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.652 6.007 -3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.577 6.983 -5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.552 5.748 -4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.905 4.245 -6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.468 4.921 -6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.371 5.935 -8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.832 7.076 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.980 6.222 -8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.839 5.732 -6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.361 4.627 -7.857 1.00 0.00 H new ATOM 832 N VAL A 53 -8.837 4.092 -2.050 1.00 0.00 N ATOM 833 CA VAL A 53 -7.533 3.798 -1.463 1.00 0.00 C ATOM 834 C VAL A 53 -7.336 2.295 -1.280 1.00 0.00 C ATOM 835 O VAL A 53 -6.207 1.808 -1.265 1.00 0.00 O ATOM 836 CB VAL A 53 -7.356 4.502 -0.104 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.959 4.261 0.450 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.633 5.991 -0.237 1.00 0.00 C ATOM 0 H VAL A 53 -9.409 4.737 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.782 4.175 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.075 4.080 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.856 4.767 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.801 3.191 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.218 4.652 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.504 6.473 0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.939 6.427 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.656 6.141 -0.583 1.00 0.00 H new ATOM 848 N GLU A 54 -8.440 1.567 -1.143 1.00 0.00 N ATOM 849 CA GLU A 54 -8.380 0.120 -0.967 1.00 0.00 C ATOM 850 C GLU A 54 -7.809 -0.548 -2.213 1.00 0.00 C ATOM 851 O GLU A 54 -7.069 -1.528 -2.123 1.00 0.00 O ATOM 852 CB GLU A 54 -9.772 -0.438 -0.665 1.00 0.00 C ATOM 853 CG GLU A 54 -10.199 -0.259 0.783 1.00 0.00 C ATOM 854 CD GLU A 54 -10.909 -1.479 1.336 1.00 0.00 C ATOM 855 OE1 GLU A 54 -10.559 -2.607 0.928 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.816 -1.308 2.178 1.00 0.00 O ATOM 0 H GLU A 54 -9.384 1.954 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.723 -0.095 -0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.499 0.052 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.790 -1.500 -0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.321 -0.046 1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.858 0.606 0.860 1.00 0.00 H new ATOM 863 N GLU A 55 -8.156 -0.003 -3.374 1.00 0.00 N ATOM 864 CA GLU A 55 -7.677 -0.535 -4.644 1.00 0.00 C ATOM 865 C GLU A 55 -6.207 -0.185 -4.856 1.00 0.00 C ATOM 866 O GLU A 55 -5.477 -0.905 -5.537 1.00 0.00 O ATOM 867 CB GLU A 55 -8.520 0.016 -5.797 1.00 0.00 C ATOM 868 CG GLU A 55 -8.087 -0.489 -7.164 1.00 0.00 C ATOM 869 CD GLU A 55 -8.624 -1.873 -7.470 1.00 0.00 C ATOM 870 OE1 GLU A 55 -9.800 -2.140 -7.142 1.00 0.00 O ATOM 871 OE2 GLU A 55 -7.870 -2.690 -8.038 1.00 0.00 O ATOM 0 H GLU A 55 -8.768 0.808 -3.461 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.773 -1.621 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.564 -0.253 -5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.466 1.105 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.429 0.207 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.998 -0.507 -7.213 1.00 0.00 H new ATOM 878 N GLU A 56 -5.782 0.926 -4.263 1.00 0.00 N ATOM 879 CA GLU A 56 -4.403 1.383 -4.377 1.00 0.00 C ATOM 880 C GLU A 56 -3.456 0.457 -3.619 1.00 0.00 C ATOM 881 O GLU A 56 -2.285 0.322 -3.976 1.00 0.00 O ATOM 882 CB GLU A 56 -4.277 2.811 -3.842 1.00 0.00 C ATOM 883 CG GLU A 56 -4.786 3.869 -4.807 1.00 0.00 C ATOM 884 CD GLU A 56 -4.122 5.216 -4.598 1.00 0.00 C ATOM 885 OE1 GLU A 56 -4.628 6.005 -3.772 1.00 0.00 O ATOM 886 OE2 GLU A 56 -3.097 5.481 -5.260 1.00 0.00 O ATOM 0 H GLU A 56 -6.377 1.529 -3.696 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.126 1.368 -5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.829 2.889 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.231 3.013 -3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.611 3.537 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.864 3.977 -4.687 1.00 0.00 H new ATOM 893 N VAL A 57 -3.970 -0.175 -2.570 1.00 0.00 N ATOM 894 CA VAL A 57 -3.175 -1.087 -1.757 1.00 0.00 C ATOM 895 C VAL A 57 -3.113 -2.473 -2.388 1.00 0.00 C ATOM 896 O VAL A 57 -2.176 -3.231 -2.152 1.00 0.00 O ATOM 897 CB VAL A 57 -3.743 -1.214 -0.331 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.745 -1.911 0.582 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.119 0.154 0.221 1.00 0.00 C ATOM 0 H VAL A 57 -4.937 -0.072 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.171 -0.666 -1.704 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.647 -1.822 -0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.164 -1.991 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.534 -2.908 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.821 -1.333 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.518 0.042 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.235 0.791 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.874 0.610 -0.420 1.00 0.00 H new ATOM 909 N LYS A 58 -4.126 -2.796 -3.182 1.00 0.00 N ATOM 910 CA LYS A 58 -4.204 -4.090 -3.847 1.00 0.00 C ATOM 911 C LYS A 58 -3.241 -4.173 -5.031 1.00 0.00 C ATOM 912 O LYS A 58 -2.795 -5.256 -5.399 1.00 0.00 O ATOM 913 CB LYS A 58 -5.633 -4.347 -4.322 1.00 0.00 C ATOM 914 CG LYS A 58 -6.398 -5.327 -3.446 1.00 0.00 C ATOM 915 CD LYS A 58 -7.847 -4.905 -3.268 1.00 0.00 C ATOM 916 CE LYS A 58 -8.684 -6.028 -2.678 1.00 0.00 C ATOM 917 NZ LYS A 58 -9.437 -6.769 -3.728 1.00 0.00 N ATOM 0 H LYS A 58 -4.910 -2.175 -3.382 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.915 -4.854 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.173 -3.401 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.605 -4.730 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.360 -6.321 -3.892 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.916 -5.397 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.896 -4.032 -2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.262 -4.608 -4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.036 -6.720 -2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.384 -5.616 -1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.995 -7.527 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.074 -6.115 -4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.768 -7.184 -4.407 1.00 0.00 H new ATOM 931 N LYS A 59 -2.949 -3.028 -5.640 1.00 0.00 N ATOM 932 CA LYS A 59 -2.060 -2.982 -6.798 1.00 0.00 C ATOM 933 C LYS A 59 -0.597 -3.182 -6.405 1.00 0.00 C ATOM 934 O LYS A 59 0.149 -3.867 -7.104 1.00 0.00 O ATOM 935 CB LYS A 59 -2.216 -1.648 -7.534 1.00 0.00 C ATOM 936 CG LYS A 59 -1.293 -1.502 -8.736 1.00 0.00 C ATOM 937 CD LYS A 59 -0.283 -0.380 -8.537 1.00 0.00 C ATOM 938 CE LYS A 59 -0.706 0.887 -9.265 1.00 0.00 C ATOM 939 NZ LYS A 59 0.452 1.778 -9.549 1.00 0.00 N ATOM 0 H LYS A 59 -3.314 -2.120 -5.352 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.346 -3.802 -7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.249 -1.544 -7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.022 -0.833 -6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.766 -2.441 -8.906 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.886 -1.304 -9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.175 -0.171 -7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.694 -0.700 -8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.197 0.621 -10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.438 1.424 -8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.121 2.630 -10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.906 2.053 -8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.139 1.275 -10.145 1.00 0.00 H new ATOM 953 N LEU A 60 -0.183 -2.567 -5.303 1.00 0.00 N ATOM 954 CA LEU A 60 1.202 -2.674 -4.852 1.00 0.00 C ATOM 955 C LEU A 60 1.478 -4.002 -4.156 1.00 0.00 C ATOM 956 O LEU A 60 2.612 -4.470 -4.134 1.00 0.00 O ATOM 957 CB LEU A 60 1.554 -1.521 -3.916 1.00 0.00 C ATOM 958 CG LEU A 60 3.027 -1.110 -3.949 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.164 0.371 -4.249 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.716 -1.457 -2.640 1.00 0.00 C ATOM 0 H LEU A 60 -0.781 -1.993 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 60 1.830 -2.624 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.942 -0.657 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.290 -1.803 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 60 3.516 -1.668 -4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.220 0.642 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.716 0.589 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.655 0.947 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.762 -1.155 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.225 -0.933 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.656 -2.532 -2.471 1.00 0.00 H new ATOM 972 N GLU A 61 0.445 -4.601 -3.583 1.00 0.00 N ATOM 973 CA GLU A 61 0.594 -5.872 -2.888 1.00 0.00 C ATOM 974 C GLU A 61 0.834 -7.006 -3.881 1.00 0.00 C ATOM 975 O GLU A 61 1.674 -7.878 -3.656 1.00 0.00 O ATOM 976 CB GLU A 61 -0.654 -6.158 -2.055 1.00 0.00 C ATOM 977 CG GLU A 61 -0.350 -6.691 -0.666 1.00 0.00 C ATOM 978 CD GLU A 61 -1.346 -7.741 -0.212 1.00 0.00 C ATOM 979 OE1 GLU A 61 -1.658 -8.647 -1.013 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.814 -7.655 0.942 1.00 0.00 O ATOM 0 H GLU A 61 -0.505 -4.229 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 61 1.458 -5.807 -2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.237 -5.242 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.276 -6.880 -2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.653 -7.119 -0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.350 -5.864 0.044 1.00 0.00 H new ATOM 987 N GLU A 62 0.089 -6.981 -4.980 1.00 0.00 N ATOM 988 CA GLU A 62 0.207 -7.996 -6.019 1.00 0.00 C ATOM 989 C GLU A 62 1.481 -7.802 -6.837 1.00 0.00 C ATOM 990 O GLU A 62 2.011 -8.750 -7.413 1.00 0.00 O ATOM 991 CB GLU A 62 -1.016 -7.947 -6.937 1.00 0.00 C ATOM 992 CG GLU A 62 -1.558 -9.319 -7.297 1.00 0.00 C ATOM 993 CD GLU A 62 -2.884 -9.248 -8.028 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.896 -8.894 -7.388 1.00 0.00 O ATOM 995 OE2 GLU A 62 -2.911 -9.548 -9.240 1.00 0.00 O ATOM 0 H GLU A 62 -0.608 -6.263 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 62 0.259 -8.972 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.803 -7.370 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.752 -7.417 -7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.831 -9.841 -7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.680 -9.908 -6.388 1.00 0.00 H new ATOM 1002 N GLU A 63 1.960 -6.565 -6.893 1.00 0.00 N ATOM 1003 CA GLU A 63 3.165 -6.242 -7.649 1.00 0.00 C ATOM 1004 C GLU A 63 4.394 -6.938 -7.064 1.00 0.00 C ATOM 1005 O GLU A 63 5.068 -7.706 -7.747 1.00 0.00 O ATOM 1006 CB GLU A 63 3.379 -4.726 -7.664 1.00 0.00 C ATOM 1007 CG GLU A 63 3.371 -4.124 -9.060 1.00 0.00 C ATOM 1008 CD GLU A 63 4.748 -4.098 -9.692 1.00 0.00 C ATOM 1009 OE1 GLU A 63 5.746 -4.192 -8.946 1.00 0.00 O ATOM 1010 OE2 GLU A 63 4.830 -3.984 -10.934 1.00 0.00 O ATOM 0 H GLU A 63 1.532 -5.767 -6.423 1.00 0.00 H new ATOM 0 HA GLU A 63 3.030 -6.601 -8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.599 -4.251 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.330 -4.497 -7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.695 -4.697 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.979 -3.108 -9.011 1.00 0.00 H new ATOM 1017 N ILE A 64 4.681 -6.652 -5.799 1.00 0.00 N ATOM 1018 CA ILE A 64 5.832 -7.232 -5.112 1.00 0.00 C ATOM 1019 C ILE A 64 5.871 -8.754 -5.243 1.00 0.00 C ATOM 1020 O ILE A 64 6.940 -9.361 -5.172 1.00 0.00 O ATOM 1021 CB ILE A 64 5.834 -6.863 -3.612 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.652 -5.354 -3.424 1.00 0.00 C ATOM 1023 CG2 ILE A 64 7.124 -7.329 -2.954 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.598 -4.928 -1.971 1.00 0.00 C ATOM 0 H ILE A 64 4.128 -6.017 -5.223 1.00 0.00 H new ATOM 0 HA ILE A 64 6.716 -6.814 -5.594 1.00 0.00 H new ATOM 0 HB ILE A 64 4.996 -7.370 -3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.473 -4.833 -3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.733 -5.042 -3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.111 -7.062 -1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.213 -8.411 -3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.974 -6.849 -3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.468 -3.847 -1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.760 -5.421 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.527 -5.209 -1.475 1.00 0.00 H new ATOM 1036 N LYS A 65 4.707 -9.370 -5.426 1.00 0.00 N ATOM 1037 CA LYS A 65 4.627 -10.824 -5.557 1.00 0.00 C ATOM 1038 C LYS A 65 5.577 -11.330 -6.640 1.00 0.00 C ATOM 1039 O LYS A 65 6.209 -12.375 -6.486 1.00 0.00 O ATOM 1040 CB LYS A 65 3.192 -11.256 -5.870 1.00 0.00 C ATOM 1041 CG LYS A 65 2.477 -11.883 -4.685 1.00 0.00 C ATOM 1042 CD LYS A 65 2.127 -10.843 -3.632 1.00 0.00 C ATOM 1043 CE LYS A 65 1.890 -11.483 -2.275 1.00 0.00 C ATOM 1044 NZ LYS A 65 3.045 -12.318 -1.845 1.00 0.00 N ATOM 0 H LYS A 65 3.809 -8.889 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 65 4.928 -11.264 -4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.625 -10.389 -6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.207 -11.969 -6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.567 -12.377 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.110 -12.652 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.934 -10.115 -3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.234 -10.298 -3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.709 -10.705 -1.533 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.992 -12.099 -2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.067 -12.372 -0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.947 -13.275 -2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.929 -11.891 -2.188 1.00 0.00 H new ATOM 1058 N LYS A 66 5.680 -10.577 -7.730 1.00 0.00 N ATOM 1059 CA LYS A 66 6.561 -10.945 -8.832 1.00 0.00 C ATOM 1060 C LYS A 66 7.904 -10.235 -8.699 1.00 0.00 C ATOM 1061 O LYS A 66 8.931 -10.867 -8.454 1.00 0.00 O ATOM 1062 CB LYS A 66 5.913 -10.593 -10.173 1.00 0.00 C ATOM 1063 CG LYS A 66 4.827 -11.569 -10.598 1.00 0.00 C ATOM 1064 CD LYS A 66 5.382 -12.664 -11.494 1.00 0.00 C ATOM 1065 CE LYS A 66 5.492 -12.200 -12.937 1.00 0.00 C ATOM 1066 NZ LYS A 66 6.509 -12.979 -13.696 1.00 0.00 N ATOM 0 H LYS A 66 5.165 -9.709 -7.874 1.00 0.00 H new ATOM 0 HA LYS A 66 6.728 -12.021 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.486 -9.592 -10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.684 -10.562 -10.943 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.372 -12.016 -9.714 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.039 -11.031 -11.125 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.364 -12.968 -11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.737 -13.541 -11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.522 -12.298 -13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.755 -11.142 -12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.553 -12.631 -14.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.440 -12.866 -13.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.246 -13.985 -13.697 1.00 0.00 H new ATOM 1080 N LEU A 67 7.883 -8.914 -8.855 1.00 0.00 N ATOM 1081 CA LEU A 67 9.090 -8.104 -8.746 1.00 0.00 C ATOM 1082 C LEU A 67 10.009 -8.330 -9.944 1.00 0.00 C ATOM 1083 O LEU A 67 9.936 -7.531 -10.903 1.00 0.00 O ATOM 1084 CB LEU A 67 9.833 -8.424 -7.445 1.00 0.00 C ATOM 1085 CG LEU A 67 10.247 -7.210 -6.608 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.198 -6.911 -5.547 1.00 0.00 C ATOM 1087 CD2 LEU A 67 11.609 -7.443 -5.966 1.00 0.00 C ATOM 1088 OXT LEU A 67 10.794 -9.300 -9.912 1.00 0.00 O ATOM 0 H LEU A 67 7.038 -8.381 -9.058 1.00 0.00 H new ATOM 0 HA LEU A 67 8.793 -7.055 -8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.199 -9.066 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.727 -8.998 -7.689 1.00 0.00 H new ATOM 0 HG LEU A 67 10.323 -6.346 -7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.509 -6.045 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.243 -6.700 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.089 -7.774 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.887 -6.570 -5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.561 -8.319 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.355 -7.607 -6.744 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 8.078 2.459 3.049 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.865 1.841 2.829 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.797 0.658 2.102 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.962 0.102 1.599 1.00 0.00 C HETATM 1105 C4 HTS A 101 9.179 0.718 1.817 1.00 0.00 C HETATM 1106 C5 HTS A 101 9.238 1.896 2.542 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.702 2.387 3.325 1.00 0.00 O HETATM 1108 S1 HTS A 101 5.196 0.002 1.906 1.00 0.00 S HETATM 0 HO1 HTS A 101 4.931 1.960 2.896 1.00 0.00 H new HETATM 0 H6 HTS A 101 8.124 3.387 3.619 1.00 0.00 H new HETATM 0 H5 HTS A 101 10.199 2.381 2.714 1.00 0.00 H new HETATM 0 H4 HTS A 101 10.093 0.277 1.418 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.918 -0.826 1.029 1.00 0.00 H new