USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=7 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 33 LYS NZ :NH3+ -175:sc=-0.00171 (180deg=-0.144) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0 (180deg=-1.13) USER MOD Single : A 2 SER OG : rot 26:sc= 0.0567 USER MOD Single : A 5 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.145) 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 17 LYS NZ :NH3+ 154:sc= -0.0419 (180deg=-0.422) 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 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= -0.0103 (180deg=-0.58) USER MOD Single : A 101 HTS O1 : rot -172:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.524 1.071 15.056 1.00 0.00 N ATOM 2 CA GLY A 1 -12.219 -0.208 14.358 1.00 0.00 C ATOM 3 C GLY A 1 -13.429 -0.784 13.648 1.00 0.00 C ATOM 4 O GLY A 1 -14.353 -1.287 14.288 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.787 1.771 14.835 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.447 1.428 14.738 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.551 0.908 16.083 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.422 -0.042 13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.847 -0.933 15.081 1.00 0.00 H new ATOM 10 N SER A 2 -13.425 -0.710 12.321 1.00 0.00 N ATOM 11 CA SER A 2 -14.531 -1.228 11.524 1.00 0.00 C ATOM 12 C SER A 2 -14.029 -1.799 10.202 1.00 0.00 C ATOM 13 O SER A 2 -14.405 -2.903 9.809 1.00 0.00 O ATOM 14 CB SER A 2 -15.557 -0.124 11.258 1.00 0.00 C ATOM 15 OG SER A 2 -16.492 -0.032 12.318 1.00 0.00 O ATOM 0 H SER A 2 -12.669 -0.297 11.775 1.00 0.00 H new ATOM 0 HA SER A 2 -15.007 -2.030 12.088 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.045 0.831 11.136 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.080 -0.327 10.324 1.00 0.00 H new ATOM 0 HG SER A 2 -16.083 -0.363 13.145 1.00 0.00 H new ATOM 21 N ARG A 3 -13.177 -1.040 9.520 1.00 0.00 N ATOM 22 CA ARG A 3 -12.624 -1.472 8.241 1.00 0.00 C ATOM 23 C ARG A 3 -11.373 -0.672 7.889 1.00 0.00 C ATOM 24 O ARG A 3 -10.367 -1.234 7.455 1.00 0.00 O ATOM 25 CB ARG A 3 -13.667 -1.322 7.134 1.00 0.00 C ATOM 26 CG ARG A 3 -13.194 -1.825 5.780 1.00 0.00 C ATOM 27 CD ARG A 3 -13.881 -1.090 4.641 1.00 0.00 C ATOM 28 NE ARG A 3 -15.330 -1.284 4.660 1.00 0.00 N ATOM 29 CZ ARG A 3 -16.159 -0.771 3.754 1.00 0.00 C ATOM 30 NH1 ARG A 3 -15.688 -0.033 2.756 1.00 0.00 N ATOM 31 NH2 ARG A 3 -17.462 -0.995 3.845 1.00 0.00 N ATOM 0 H ARG A 3 -12.855 -0.124 9.831 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.347 -2.523 8.331 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.568 -1.865 7.419 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.942 -0.271 7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.115 -1.695 5.699 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.394 -2.893 5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.657 -0.025 4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.481 -1.440 3.690 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.729 -1.846 5.412 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.686 0.143 2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.328 0.358 2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.830 -1.561 4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -18.097 -0.602 3.150 1.00 0.00 H new ATOM 45 N VAL A 4 -11.442 0.641 8.080 1.00 0.00 N ATOM 46 CA VAL A 4 -10.317 1.517 7.781 1.00 0.00 C ATOM 47 C VAL A 4 -9.143 1.244 8.715 1.00 0.00 C ATOM 48 O VAL A 4 -7.984 1.359 8.321 1.00 0.00 O ATOM 49 CB VAL A 4 -10.713 3.001 7.895 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.592 3.896 7.391 1.00 0.00 C ATOM 51 CG2 VAL A 4 -12.003 3.269 7.134 1.00 0.00 C ATOM 0 H VAL A 4 -12.266 1.122 8.441 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.018 1.306 6.754 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.883 3.232 8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.892 4.940 7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.694 3.724 7.985 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.385 3.666 6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.267 4.322 7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.863 3.020 6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.804 2.657 7.548 1.00 0.00 H new ATOM 61 N LYS A 5 -9.452 0.883 9.956 1.00 0.00 N ATOM 62 CA LYS A 5 -8.422 0.593 10.947 1.00 0.00 C ATOM 63 C LYS A 5 -7.561 -0.587 10.508 1.00 0.00 C ATOM 64 O LYS A 5 -6.376 -0.661 10.832 1.00 0.00 O ATOM 65 CB LYS A 5 -9.060 0.299 12.306 1.00 0.00 C ATOM 66 CG LYS A 5 -8.434 1.074 13.454 1.00 0.00 C ATOM 67 CD LYS A 5 -8.349 0.232 14.718 1.00 0.00 C ATOM 68 CE LYS A 5 -8.859 0.994 15.932 1.00 0.00 C ATOM 69 NZ LYS A 5 -8.102 2.257 16.153 1.00 0.00 N ATOM 0 H LYS A 5 -10.407 0.784 10.299 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.782 1.471 11.037 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.123 0.534 12.257 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.979 -0.768 12.513 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.435 1.405 13.169 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.022 1.970 13.652 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.932 -0.680 14.589 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.315 -0.071 14.885 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.916 1.223 15.799 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.778 0.363 16.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.270 2.597 17.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.086 2.081 16.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.421 2.976 15.473 1.00 0.00 H new ATOM 83 N ALA A 6 -8.168 -1.509 9.768 1.00 0.00 N ATOM 84 CA ALA A 6 -7.462 -2.690 9.283 1.00 0.00 C ATOM 85 C ALA A 6 -6.662 -2.376 8.020 1.00 0.00 C ATOM 86 O ALA A 6 -5.675 -3.044 7.718 1.00 0.00 O ATOM 87 CB ALA A 6 -8.447 -3.818 9.017 1.00 0.00 C ATOM 0 H ALA A 6 -9.148 -1.461 9.491 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.760 -3.006 10.055 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.908 -4.694 8.655 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.970 -4.069 9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.169 -3.500 8.265 1.00 0.00 H new ATOM 93 N LEU A 7 -7.103 -1.362 7.283 1.00 0.00 N ATOM 94 CA LEU A 7 -6.436 -0.962 6.048 1.00 0.00 C ATOM 95 C LEU A 7 -5.044 -0.397 6.322 1.00 0.00 C ATOM 96 O LEU A 7 -4.118 -0.595 5.535 1.00 0.00 O ATOM 97 CB LEU A 7 -7.282 0.082 5.312 1.00 0.00 C ATOM 98 CG LEU A 7 -7.329 -0.073 3.792 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.088 1.086 3.163 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.922 -0.163 3.220 1.00 0.00 C ATOM 0 H LEU A 7 -7.921 -0.801 7.520 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.324 -1.850 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.301 0.038 5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.894 1.073 5.548 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.855 -0.998 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.112 0.960 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.107 1.106 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.589 2.024 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.976 -0.273 2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.371 0.745 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.410 -1.025 3.647 1.00 0.00 H new ATOM 112 N GLU A 8 -4.905 0.316 7.434 1.00 0.00 N ATOM 113 CA GLU A 8 -3.629 0.922 7.800 1.00 0.00 C ATOM 114 C GLU A 8 -2.621 -0.127 8.263 1.00 0.00 C ATOM 115 O GLU A 8 -1.415 0.037 8.074 1.00 0.00 O ATOM 116 CB GLU A 8 -3.836 1.965 8.899 1.00 0.00 C ATOM 117 CG GLU A 8 -4.635 3.175 8.442 1.00 0.00 C ATOM 118 CD GLU A 8 -5.059 4.063 9.595 1.00 0.00 C ATOM 119 OE1 GLU A 8 -4.290 4.979 9.953 1.00 0.00 O ATOM 120 OE2 GLU A 8 -6.162 3.843 10.140 1.00 0.00 O ATOM 0 H GLU A 8 -5.660 0.489 8.098 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.226 1.407 6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.348 1.498 9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.863 2.297 9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.037 3.757 7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.520 2.838 7.903 1.00 0.00 H new ATOM 127 N GLU A 9 -3.113 -1.199 8.873 1.00 0.00 N ATOM 128 CA GLU A 9 -2.244 -2.265 9.363 1.00 0.00 C ATOM 129 C GLU A 9 -1.766 -3.163 8.222 1.00 0.00 C ATOM 130 O GLU A 9 -0.751 -3.848 8.344 1.00 0.00 O ATOM 131 CB GLU A 9 -2.974 -3.101 10.418 1.00 0.00 C ATOM 132 CG GLU A 9 -4.123 -3.924 9.861 1.00 0.00 C ATOM 133 CD GLU A 9 -4.455 -5.123 10.726 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.828 -6.186 10.533 1.00 0.00 O ATOM 135 OE2 GLU A 9 -5.342 -5.000 11.597 1.00 0.00 O ATOM 0 H GLU A 9 -4.107 -1.354 9.040 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.369 -1.800 9.816 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.259 -3.770 10.897 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.357 -2.437 11.193 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.006 -3.292 9.768 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.868 -4.264 8.857 1.00 0.00 H new ATOM 142 N LYS A 10 -2.506 -3.161 7.117 1.00 0.00 N ATOM 143 CA LYS A 10 -2.160 -3.983 5.962 1.00 0.00 C ATOM 144 C LYS A 10 -0.918 -3.448 5.255 1.00 0.00 C ATOM 145 O LYS A 10 0.055 -4.176 5.057 1.00 0.00 O ATOM 146 CB LYS A 10 -3.337 -4.040 4.984 1.00 0.00 C ATOM 147 CG LYS A 10 -3.851 -5.448 4.733 1.00 0.00 C ATOM 148 CD LYS A 10 -5.167 -5.434 3.972 1.00 0.00 C ATOM 149 CE LYS A 10 -4.969 -5.795 2.507 1.00 0.00 C ATOM 150 NZ LYS A 10 -6.119 -5.360 1.667 1.00 0.00 N ATOM 0 H LYS A 10 -3.349 -2.599 6.997 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.940 -4.989 6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.151 -3.429 5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.032 -3.599 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.109 -6.012 4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.985 -5.962 5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.861 -6.138 4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.621 -4.446 4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.054 -5.330 2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.838 -6.873 2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.945 -5.625 0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.988 -5.823 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.228 -4.328 1.736 1.00 0.00 H new ATOM 164 N VAL A 11 -0.960 -2.177 4.873 1.00 0.00 N ATOM 165 CA VAL A 11 0.159 -1.544 4.183 1.00 0.00 C ATOM 166 C VAL A 11 1.367 -1.399 5.099 1.00 0.00 C ATOM 167 O VAL A 11 2.505 -1.402 4.639 1.00 0.00 O ATOM 168 CB VAL A 11 -0.226 -0.157 3.632 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.891 0.408 2.764 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.530 -0.237 2.853 1.00 0.00 C ATOM 0 H VAL A 11 -1.759 -1.563 5.030 1.00 0.00 H new ATOM 0 HA VAL A 11 0.419 -2.197 3.350 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.372 0.519 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.598 1.387 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.800 0.506 3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.076 -0.264 1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.787 0.751 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.414 -0.929 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.325 -0.590 3.510 1.00 0.00 H new ATOM 180 N LYS A 12 1.110 -1.267 6.391 1.00 0.00 N ATOM 181 CA LYS A 12 2.175 -1.119 7.379 1.00 0.00 C ATOM 182 C LYS A 12 3.107 -2.325 7.349 1.00 0.00 C ATOM 183 O LYS A 12 4.321 -2.187 7.500 1.00 0.00 O ATOM 184 CB LYS A 12 1.583 -0.946 8.780 1.00 0.00 C ATOM 185 CG LYS A 12 1.603 0.489 9.277 1.00 0.00 C ATOM 186 CD LYS A 12 1.486 0.557 10.791 1.00 0.00 C ATOM 187 CE LYS A 12 2.791 0.172 11.468 1.00 0.00 C ATOM 188 NZ LYS A 12 3.618 1.366 11.802 1.00 0.00 N ATOM 0 H LYS A 12 0.169 -1.259 6.784 1.00 0.00 H new ATOM 0 HA LYS A 12 2.752 -0.228 7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.554 -1.306 8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.138 -1.571 9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.528 0.972 8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.782 1.044 8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.204 1.566 11.090 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.691 -0.109 11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.576 -0.387 12.379 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.358 -0.490 10.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.499 1.060 12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.845 1.886 10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.088 1.986 12.447 1.00 0.00 H new ATOM 202 N ALA A 13 2.535 -3.501 7.125 1.00 0.00 N ATOM 203 CA ALA A 13 3.320 -4.727 7.044 1.00 0.00 C ATOM 204 C ALA A 13 3.935 -4.847 5.657 1.00 0.00 C ATOM 205 O ALA A 13 4.957 -5.505 5.459 1.00 0.00 O ATOM 206 CB ALA A 13 2.454 -5.939 7.354 1.00 0.00 C ATOM 0 H ALA A 13 1.532 -3.632 6.996 1.00 0.00 H new ATOM 0 HA ALA A 13 4.119 -4.688 7.784 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.058 -6.844 7.288 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.046 -5.847 8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.636 -5.995 6.635 1.00 0.00 H new ATOM 212 N LEU A 14 3.293 -4.183 4.704 1.00 0.00 N ATOM 213 CA LEU A 14 3.732 -4.162 3.321 1.00 0.00 C ATOM 214 C LEU A 14 5.081 -3.456 3.190 1.00 0.00 C ATOM 215 O LEU A 14 5.836 -3.703 2.250 1.00 0.00 O ATOM 216 CB LEU A 14 2.672 -3.447 2.480 1.00 0.00 C ATOM 217 CG LEU A 14 2.616 -3.852 1.006 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.183 -4.164 0.602 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.190 -2.755 0.123 1.00 0.00 C ATOM 0 H LEU A 14 2.446 -3.640 4.874 1.00 0.00 H new ATOM 0 HA LEU A 14 3.858 -5.185 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.695 -3.631 2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.852 -2.373 2.537 1.00 0.00 H new ATOM 0 HG LEU A 14 3.222 -4.748 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.156 -4.451 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.803 -4.984 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.562 -3.281 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.140 -3.065 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.613 -1.840 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.229 -2.573 0.398 1.00 0.00 H new ATOM 231 N GLU A 15 5.368 -2.569 4.139 1.00 0.00 N ATOM 232 CA GLU A 15 6.611 -1.811 4.144 1.00 0.00 C ATOM 233 C GLU A 15 7.780 -2.680 4.599 1.00 0.00 C ATOM 234 O GLU A 15 8.847 -2.673 3.985 1.00 0.00 O ATOM 235 CB GLU A 15 6.460 -0.587 5.057 1.00 0.00 C ATOM 236 CG GLU A 15 7.768 0.120 5.374 1.00 0.00 C ATOM 237 CD GLU A 15 7.597 1.233 6.389 1.00 0.00 C ATOM 238 OE1 GLU A 15 7.672 0.947 7.602 1.00 0.00 O ATOM 239 OE2 GLU A 15 7.387 2.390 5.969 1.00 0.00 O ATOM 0 H GLU A 15 4.748 -2.358 4.921 1.00 0.00 H new ATOM 0 HA GLU A 15 6.823 -1.477 3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.782 0.123 4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.994 -0.900 5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.487 -0.606 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.186 0.532 4.456 1.00 0.00 H new ATOM 246 N GLU A 16 7.575 -3.427 5.679 1.00 0.00 N ATOM 247 CA GLU A 16 8.613 -4.301 6.216 1.00 0.00 C ATOM 248 C GLU A 16 9.161 -5.234 5.139 1.00 0.00 C ATOM 249 O GLU A 16 10.308 -5.674 5.211 1.00 0.00 O ATOM 250 CB GLU A 16 8.061 -5.122 7.384 1.00 0.00 C ATOM 251 CG GLU A 16 7.480 -4.273 8.503 1.00 0.00 C ATOM 252 CD GLU A 16 8.320 -4.316 9.764 1.00 0.00 C ATOM 253 OE1 GLU A 16 8.974 -5.352 10.007 1.00 0.00 O ATOM 254 OE2 GLU A 16 8.324 -3.313 10.510 1.00 0.00 O ATOM 0 H GLU A 16 6.699 -3.445 6.200 1.00 0.00 H new ATOM 0 HA GLU A 16 9.430 -3.673 6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.289 -5.795 7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.859 -5.745 7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.394 -3.241 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.472 -4.619 8.731 1.00 0.00 H new ATOM 261 N LYS A 17 8.333 -5.533 4.142 1.00 0.00 N ATOM 262 CA LYS A 17 8.734 -6.414 3.051 1.00 0.00 C ATOM 263 C LYS A 17 9.658 -5.692 2.074 1.00 0.00 C ATOM 264 O LYS A 17 10.717 -6.204 1.710 1.00 0.00 O ATOM 265 CB LYS A 17 7.501 -6.939 2.314 1.00 0.00 C ATOM 266 CG LYS A 17 7.621 -8.391 1.881 1.00 0.00 C ATOM 267 CD LYS A 17 7.927 -8.508 0.395 1.00 0.00 C ATOM 268 CE LYS A 17 9.400 -8.799 0.151 1.00 0.00 C ATOM 269 NZ LYS A 17 9.799 -10.130 0.688 1.00 0.00 N ATOM 0 H LYS A 17 7.380 -5.178 4.068 1.00 0.00 H new ATOM 0 HA LYS A 17 9.279 -7.255 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.630 -6.832 2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.323 -6.320 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.409 -8.879 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.692 -8.916 2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.321 -9.302 -0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.650 -7.582 -0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.605 -8.763 -0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.006 -8.022 0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.618 -10.487 0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.052 -10.038 1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.006 -10.796 0.590 1.00 0.00 H new ATOM 283 N VAL A 18 9.248 -4.500 1.652 1.00 0.00 N ATOM 284 CA VAL A 18 10.035 -3.705 0.715 1.00 0.00 C ATOM 285 C VAL A 18 11.303 -3.170 1.369 1.00 0.00 C ATOM 286 O VAL A 18 12.409 -3.385 0.873 1.00 0.00 O ATOM 287 CB VAL A 18 9.227 -2.518 0.172 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.972 -1.835 -0.964 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.846 -2.969 -0.280 1.00 0.00 C ATOM 0 H VAL A 18 8.374 -4.063 1.944 1.00 0.00 H new ATOM 0 HA VAL A 18 10.302 -4.369 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 18 9.100 -1.794 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.382 -0.997 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.933 -1.470 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.136 -2.548 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.290 -2.112 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.947 -3.716 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.310 -3.402 0.565 1.00 0.00 H new ATOM 299 N LYS A 19 11.134 -2.463 2.483 1.00 0.00 N ATOM 300 CA LYS A 19 12.264 -1.885 3.205 1.00 0.00 C ATOM 301 C LYS A 19 13.330 -2.936 3.510 1.00 0.00 C ATOM 302 O LYS A 19 14.504 -2.608 3.680 1.00 0.00 O ATOM 303 CB LYS A 19 11.786 -1.236 4.504 1.00 0.00 C ATOM 304 CG LYS A 19 10.881 -0.037 4.283 1.00 0.00 C ATOM 305 CD LYS A 19 10.950 0.936 5.448 1.00 0.00 C ATOM 306 CE LYS A 19 11.914 2.076 5.165 1.00 0.00 C ATOM 307 NZ LYS A 19 11.451 3.357 5.767 1.00 0.00 N ATOM 0 H LYS A 19 10.225 -2.276 2.906 1.00 0.00 H new ATOM 0 HA LYS A 19 12.712 -1.125 2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.254 -1.979 5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.653 -0.925 5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.170 0.473 3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.853 -0.375 4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.957 1.339 5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.265 0.407 6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.899 1.825 5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.024 2.200 4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.136 4.109 5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.523 3.610 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.371 3.247 6.798 1.00 0.00 H new ATOM 321 N ALA A 20 12.917 -4.196 3.567 1.00 0.00 N ATOM 322 CA ALA A 20 13.841 -5.290 3.841 1.00 0.00 C ATOM 323 C ALA A 20 14.445 -5.817 2.544 1.00 0.00 C ATOM 324 O ALA A 20 15.485 -6.476 2.550 1.00 0.00 O ATOM 325 CB ALA A 20 13.132 -6.408 4.591 1.00 0.00 C ATOM 0 H ALA A 20 11.949 -4.486 3.427 1.00 0.00 H new ATOM 0 HA ALA A 20 14.649 -4.911 4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.835 -7.217 4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.746 -6.025 5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.306 -6.784 3.987 1.00 0.00 H new ATOM 331 N LEU A 21 13.781 -5.513 1.435 1.00 0.00 N ATOM 332 CA LEU A 21 14.233 -5.939 0.120 1.00 0.00 C ATOM 333 C LEU A 21 15.368 -5.041 -0.365 1.00 0.00 C ATOM 334 O LEU A 21 15.401 -3.848 -0.063 1.00 0.00 O ATOM 335 CB LEU A 21 13.053 -5.900 -0.858 1.00 0.00 C ATOM 336 CG LEU A 21 13.391 -6.112 -2.337 1.00 0.00 C ATOM 337 CD1 LEU A 21 14.061 -4.875 -2.914 1.00 0.00 C ATOM 338 CD2 LEU A 21 14.267 -7.345 -2.522 1.00 0.00 C ATOM 0 H LEU A 21 12.919 -4.967 1.424 1.00 0.00 H new ATOM 0 HA LEU A 21 14.612 -6.959 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.335 -6.663 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.555 -4.936 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 21 12.461 -6.279 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.294 -5.044 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.389 -4.022 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.981 -4.671 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.494 -7.475 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.195 -7.219 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.739 -8.225 -2.153 1.00 0.00 H new ATOM 350 N GLY A 22 16.295 -5.621 -1.119 1.00 0.00 N ATOM 351 CA GLY A 22 17.420 -4.859 -1.634 1.00 0.00 C ATOM 352 C GLY A 22 16.986 -3.650 -2.441 1.00 0.00 C ATOM 353 O GLY A 22 16.686 -2.596 -1.879 1.00 0.00 O ATOM 0 H GLY A 22 16.288 -6.606 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 22 18.043 -4.531 -0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.037 -5.506 -2.258 1.00 0.00 H new ATOM 357 N GLY A 23 16.952 -3.802 -3.761 1.00 0.00 N ATOM 358 CA GLY A 23 16.550 -2.707 -4.624 1.00 0.00 C ATOM 359 C GLY A 23 16.435 -3.121 -6.078 1.00 0.00 C ATOM 360 O GLY A 23 16.672 -4.280 -6.420 1.00 0.00 O ATOM 0 H GLY A 23 17.196 -4.664 -4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.591 -2.316 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.274 -1.897 -4.537 1.00 0.00 H new ATOM 364 N GLY A 24 16.072 -2.172 -6.936 1.00 0.00 N ATOM 365 CA GLY A 24 15.933 -2.464 -8.351 1.00 0.00 C ATOM 366 C GLY A 24 14.927 -1.558 -9.034 1.00 0.00 C ATOM 367 O GLY A 24 14.596 -0.490 -8.519 1.00 0.00 O ATOM 0 H GLY A 24 15.872 -1.206 -6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.902 -2.357 -8.838 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.626 -3.502 -8.476 1.00 0.00 H new ATOM 371 N GLY A 25 14.439 -1.984 -10.195 1.00 0.00 N ATOM 372 CA GLY A 25 13.469 -1.192 -10.928 1.00 0.00 C ATOM 373 C GLY A 25 12.052 -1.411 -10.435 1.00 0.00 C ATOM 374 O GLY A 25 11.376 -0.468 -10.025 1.00 0.00 O ATOM 0 H GLY A 25 14.698 -2.864 -10.641 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.723 -0.136 -10.837 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.525 -1.443 -11.987 1.00 0.00 H new ATOM 378 N ARG A 26 11.601 -2.662 -10.475 1.00 0.00 N ATOM 379 CA ARG A 26 10.256 -3.012 -10.028 1.00 0.00 C ATOM 380 C ARG A 26 9.990 -2.472 -8.625 1.00 0.00 C ATOM 381 O ARG A 26 9.087 -1.663 -8.418 1.00 0.00 O ATOM 382 CB ARG A 26 10.082 -4.533 -10.035 1.00 0.00 C ATOM 383 CG ARG A 26 8.679 -5.001 -10.399 1.00 0.00 C ATOM 384 CD ARG A 26 7.604 -4.174 -9.709 1.00 0.00 C ATOM 385 NE ARG A 26 7.264 -2.973 -10.466 1.00 0.00 N ATOM 386 CZ ARG A 26 6.502 -2.976 -11.558 1.00 0.00 C ATOM 387 NH1 ARG A 26 6.001 -4.115 -12.022 1.00 0.00 N ATOM 388 NH2 ARG A 26 6.240 -1.839 -12.187 1.00 0.00 N ATOM 0 H ARG A 26 12.149 -3.453 -10.814 1.00 0.00 H new ATOM 0 HA ARG A 26 9.541 -2.560 -10.715 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.791 -4.965 -10.741 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.338 -4.921 -9.049 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.546 -4.940 -11.479 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.563 -6.049 -10.122 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.710 -4.783 -9.575 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.948 -3.890 -8.715 1.00 0.00 H new ATOM 0 HE ARG A 26 7.632 -2.079 -10.139 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.199 -4.993 -11.542 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.418 -4.112 -12.859 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.622 -0.961 -11.835 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.656 -1.842 -13.023 1.00 0.00 H new ATOM 402 N ILE A 27 10.786 -2.936 -7.668 1.00 0.00 N ATOM 403 CA ILE A 27 10.651 -2.517 -6.277 1.00 0.00 C ATOM 404 C ILE A 27 10.636 -0.998 -6.139 1.00 0.00 C ATOM 405 O ILE A 27 10.033 -0.460 -5.214 1.00 0.00 O ATOM 406 CB ILE A 27 11.789 -3.091 -5.411 1.00 0.00 C ATOM 407 CG1 ILE A 27 11.934 -4.596 -5.657 1.00 0.00 C ATOM 408 CG2 ILE A 27 11.529 -2.808 -3.938 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.263 -4.983 -6.268 1.00 0.00 C ATOM 0 H ILE A 27 11.537 -3.607 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 27 9.696 -2.908 -5.927 1.00 0.00 H new ATOM 0 HB ILE A 27 12.723 -2.605 -5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.810 -5.124 -4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.131 -4.928 -6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.342 -3.220 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.471 -1.731 -3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.588 -3.270 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.296 -6.063 -6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.381 -4.483 -7.229 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.071 -4.683 -5.601 1.00 0.00 H new ATOM 421 N GLU A 28 11.312 -0.312 -7.056 1.00 0.00 N ATOM 422 CA GLU A 28 11.379 1.147 -7.025 1.00 0.00 C ATOM 423 C GLU A 28 9.986 1.774 -7.059 1.00 0.00 C ATOM 424 O GLU A 28 9.628 2.555 -6.178 1.00 0.00 O ATOM 425 CB GLU A 28 12.209 1.663 -8.203 1.00 0.00 C ATOM 426 CG GLU A 28 13.118 2.827 -7.844 1.00 0.00 C ATOM 427 CD GLU A 28 14.411 2.377 -7.192 1.00 0.00 C ATOM 428 OE1 GLU A 28 14.396 1.339 -6.498 1.00 0.00 O ATOM 429 OE2 GLU A 28 15.438 3.064 -7.375 1.00 0.00 O ATOM 0 H GLU A 28 11.821 -0.741 -7.829 1.00 0.00 H new ATOM 0 HA GLU A 28 11.857 1.436 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.816 0.846 -8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.536 1.972 -9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.348 3.395 -8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.590 3.501 -7.169 1.00 0.00 H new ATOM 436 N GLU A 29 9.207 1.433 -8.081 1.00 0.00 N ATOM 437 CA GLU A 29 7.856 1.971 -8.228 1.00 0.00 C ATOM 438 C GLU A 29 6.995 1.623 -7.017 1.00 0.00 C ATOM 439 O GLU A 29 6.109 2.384 -6.630 1.00 0.00 O ATOM 440 CB GLU A 29 7.204 1.429 -9.503 1.00 0.00 C ATOM 441 CG GLU A 29 5.768 1.891 -9.701 1.00 0.00 C ATOM 442 CD GLU A 29 5.532 2.493 -11.073 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.043 3.602 -11.330 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.836 1.853 -11.889 1.00 0.00 O ATOM 0 H GLU A 29 9.486 0.787 -8.820 1.00 0.00 H new ATOM 0 HA GLU A 29 7.931 3.056 -8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.797 1.738 -10.363 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.225 0.340 -9.476 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.095 1.045 -9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.519 2.628 -8.937 1.00 0.00 H new ATOM 451 N LEU A 30 7.262 0.464 -6.430 1.00 0.00 N ATOM 452 CA LEU A 30 6.516 0.000 -5.266 1.00 0.00 C ATOM 453 C LEU A 30 6.818 0.844 -4.032 1.00 0.00 C ATOM 454 O LEU A 30 6.041 0.857 -3.080 1.00 0.00 O ATOM 455 CB LEU A 30 6.843 -1.467 -4.983 1.00 0.00 C ATOM 456 CG LEU A 30 6.291 -2.460 -6.006 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.340 -3.501 -6.360 1.00 0.00 C ATOM 458 CD2 LEU A 30 5.031 -3.130 -5.479 1.00 0.00 C ATOM 0 H LEU A 30 7.993 -0.175 -6.742 1.00 0.00 H new ATOM 0 HA LEU A 30 5.454 0.101 -5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.926 -1.580 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.453 -1.727 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 30 6.033 -1.910 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.929 -4.199 -7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.214 -3.007 -6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.631 -4.045 -5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.654 -3.833 -6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.262 -3.665 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.273 -2.373 -5.279 1.00 0.00 H new ATOM 470 N LYS A 31 7.957 1.531 -4.043 1.00 0.00 N ATOM 471 CA LYS A 31 8.366 2.359 -2.912 1.00 0.00 C ATOM 472 C LYS A 31 7.615 3.687 -2.880 1.00 0.00 C ATOM 473 O LYS A 31 6.941 4.001 -1.903 1.00 0.00 O ATOM 474 CB LYS A 31 9.872 2.617 -2.970 1.00 0.00 C ATOM 475 CG LYS A 31 10.389 3.482 -1.831 1.00 0.00 C ATOM 476 CD LYS A 31 11.759 3.023 -1.358 1.00 0.00 C ATOM 477 CE LYS A 31 11.661 2.181 -0.097 1.00 0.00 C ATOM 478 NZ LYS A 31 12.768 2.475 0.854 1.00 0.00 N ATOM 0 H LYS A 31 8.614 1.531 -4.823 1.00 0.00 H new ATOM 0 HA LYS A 31 8.121 1.815 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.396 1.661 -2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.113 3.098 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.445 4.520 -2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.686 3.448 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.242 2.445 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.389 3.892 -1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.704 2.368 0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.682 1.124 -0.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.665 1.880 1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.680 2.273 0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.733 3.477 1.129 1.00 0.00 H new ATOM 492 N LYS A 32 7.747 4.470 -3.945 1.00 0.00 N ATOM 493 CA LYS A 32 7.089 5.774 -4.025 1.00 0.00 C ATOM 494 C LYS A 32 5.594 5.669 -3.723 1.00 0.00 C ATOM 495 O LYS A 32 5.074 6.374 -2.859 1.00 0.00 O ATOM 496 CB LYS A 32 7.297 6.386 -5.411 1.00 0.00 C ATOM 497 CG LYS A 32 7.581 7.879 -5.380 1.00 0.00 C ATOM 498 CD LYS A 32 6.941 8.595 -6.559 1.00 0.00 C ATOM 499 CE LYS A 32 6.540 10.016 -6.195 1.00 0.00 C ATOM 500 NZ LYS A 32 5.091 10.117 -5.867 1.00 0.00 N ATOM 0 H LYS A 32 8.302 4.227 -4.765 1.00 0.00 H new ATOM 0 HA LYS A 32 7.541 6.419 -3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.126 5.877 -5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.408 6.206 -6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.205 8.302 -4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.658 8.045 -5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.639 8.616 -7.396 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.062 8.041 -6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.130 10.352 -5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.772 10.683 -7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.858 11.101 -5.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.527 9.820 -6.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.874 9.500 -5.058 1.00 0.00 H new ATOM 514 N LYS A 33 4.911 4.793 -4.448 1.00 0.00 N ATOM 515 CA LYS A 33 3.475 4.597 -4.274 1.00 0.00 C ATOM 516 C LYS A 33 3.143 4.026 -2.894 1.00 0.00 C ATOM 517 O LYS A 33 2.030 4.190 -2.402 1.00 0.00 O ATOM 518 CB LYS A 33 2.933 3.675 -5.368 1.00 0.00 C ATOM 519 CG LYS A 33 1.444 3.393 -5.247 1.00 0.00 C ATOM 520 CD LYS A 33 0.934 2.579 -6.426 1.00 0.00 C ATOM 521 CE LYS A 33 -0.099 1.553 -5.989 1.00 0.00 C ATOM 522 NZ LYS A 33 -1.481 1.962 -6.362 1.00 0.00 N ATOM 0 H LYS A 33 5.330 4.203 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 33 2.997 5.573 -4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.131 4.125 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.476 2.731 -5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.249 2.854 -4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.898 4.334 -5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.495 3.246 -7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.770 2.073 -6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.130 0.590 -6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.040 1.416 -4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.162 1.279 -5.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.679 2.907 -5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.568 1.986 -7.398 1.00 0.00 H new ATOM 536 N CYS A 34 4.101 3.332 -2.290 1.00 0.00 N ATOM 537 CA CYS A 34 3.900 2.715 -0.979 1.00 0.00 C ATOM 538 C CYS A 34 3.569 3.743 0.106 1.00 0.00 C ATOM 539 O CYS A 34 2.541 3.641 0.774 1.00 0.00 O ATOM 540 CB CYS A 34 5.154 1.936 -0.573 1.00 0.00 C ATOM 541 SG CYS A 34 4.863 0.168 -0.248 1.00 0.00 S ATOM 0 H CYS A 34 5.028 3.181 -2.687 1.00 0.00 H new ATOM 0 HA CYS A 34 3.047 2.042 -1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.899 2.031 -1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.578 2.393 0.321 1.00 0.00 H new ATOM 546 N GLU A 35 4.456 4.716 0.295 1.00 0.00 N ATOM 547 CA GLU A 35 4.265 5.737 1.321 1.00 0.00 C ATOM 548 C GLU A 35 3.081 6.645 1.009 1.00 0.00 C ATOM 549 O GLU A 35 2.202 6.832 1.846 1.00 0.00 O ATOM 550 CB GLU A 35 5.536 6.572 1.491 1.00 0.00 C ATOM 551 CG GLU A 35 6.116 7.064 0.180 1.00 0.00 C ATOM 552 CD GLU A 35 6.380 8.557 0.178 1.00 0.00 C ATOM 553 OE1 GLU A 35 7.291 8.999 0.908 1.00 0.00 O ATOM 554 OE2 GLU A 35 5.674 9.284 -0.554 1.00 0.00 O ATOM 0 H GLU A 35 5.313 4.819 -0.248 1.00 0.00 H new ATOM 0 HA GLU A 35 4.048 5.219 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.315 7.430 2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.286 5.976 2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.047 6.535 -0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.429 6.820 -0.630 1.00 0.00 H new ATOM 561 N GLU A 36 3.058 7.210 -0.193 1.00 0.00 N ATOM 562 CA GLU A 36 1.976 8.100 -0.599 1.00 0.00 C ATOM 563 C GLU A 36 0.612 7.473 -0.315 1.00 0.00 C ATOM 564 O GLU A 36 -0.376 8.175 -0.096 1.00 0.00 O ATOM 565 CB GLU A 36 2.095 8.439 -2.086 1.00 0.00 C ATOM 566 CG GLU A 36 1.297 9.667 -2.496 1.00 0.00 C ATOM 567 CD GLU A 36 0.068 9.319 -3.313 1.00 0.00 C ATOM 568 OE1 GLU A 36 0.211 8.594 -4.320 1.00 0.00 O ATOM 569 OE2 GLU A 36 -1.037 9.772 -2.946 1.00 0.00 O ATOM 0 H GLU A 36 3.776 7.068 -0.903 1.00 0.00 H new ATOM 0 HA GLU A 36 2.060 9.017 -0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.145 8.600 -2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.758 7.585 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.992 10.212 -1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.936 10.334 -3.074 1.00 0.00 H new ATOM 576 N LEU A 37 0.573 6.148 -0.336 1.00 0.00 N ATOM 577 CA LEU A 37 -0.656 5.402 -0.098 1.00 0.00 C ATOM 578 C LEU A 37 -1.077 5.465 1.372 1.00 0.00 C ATOM 579 O LEU A 37 -2.259 5.615 1.680 1.00 0.00 O ATOM 580 CB LEU A 37 -0.458 3.946 -0.534 1.00 0.00 C ATOM 581 CG LEU A 37 -1.536 2.959 -0.076 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.929 3.502 -0.365 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.339 1.610 -0.752 1.00 0.00 C ATOM 0 H LEU A 37 1.388 5.562 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.454 5.856 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.405 3.917 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.506 3.602 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.442 2.827 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.677 2.783 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.069 4.444 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.040 3.668 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.112 0.919 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.405 1.732 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.359 1.212 -0.491 1.00 0.00 H new ATOM 595 N LYS A 38 -0.109 5.338 2.274 1.00 0.00 N ATOM 596 CA LYS A 38 -0.390 5.368 3.707 1.00 0.00 C ATOM 597 C LYS A 38 -1.031 6.690 4.130 1.00 0.00 C ATOM 598 O LYS A 38 -2.128 6.706 4.686 1.00 0.00 O ATOM 599 CB LYS A 38 0.898 5.139 4.500 1.00 0.00 C ATOM 600 CG LYS A 38 1.218 3.670 4.726 1.00 0.00 C ATOM 601 CD LYS A 38 1.128 3.295 6.198 1.00 0.00 C ATOM 602 CE LYS A 38 2.506 3.138 6.823 1.00 0.00 C ATOM 603 NZ LYS A 38 2.753 4.156 7.883 1.00 0.00 N ATOM 0 H LYS A 38 0.876 5.213 2.040 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.099 4.568 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.729 5.606 3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.814 5.637 5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.527 3.054 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.220 3.455 4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.570 4.061 6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.572 2.363 6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.600 2.139 7.249 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.268 3.227 6.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.702 4.016 8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.689 5.109 7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.041 4.055 8.634 1.00 0.00 H new ATOM 617 N LYS A 39 -0.334 7.792 3.873 1.00 0.00 N ATOM 618 CA LYS A 39 -0.824 9.121 4.233 1.00 0.00 C ATOM 619 C LYS A 39 -2.269 9.330 3.782 1.00 0.00 C ATOM 620 O LYS A 39 -3.036 10.036 4.438 1.00 0.00 O ATOM 621 CB LYS A 39 0.072 10.198 3.619 1.00 0.00 C ATOM 622 CG LYS A 39 0.025 10.235 2.099 1.00 0.00 C ATOM 623 CD LYS A 39 0.964 11.291 1.535 1.00 0.00 C ATOM 624 CE LYS A 39 0.199 12.390 0.817 1.00 0.00 C ATOM 625 NZ LYS A 39 -0.660 13.171 1.750 1.00 0.00 N ATOM 0 H LYS A 39 0.577 7.792 3.414 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.796 9.200 5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.226 11.172 4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.100 10.029 3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.296 9.257 1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.994 10.441 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.553 11.725 2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.666 10.824 0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.904 13.061 0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.421 11.950 0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.165 13.910 1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.350 12.536 2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.066 13.613 2.481 1.00 0.00 H new ATOM 639 N LYS A 40 -2.632 8.721 2.659 1.00 0.00 N ATOM 640 CA LYS A 40 -3.984 8.851 2.125 1.00 0.00 C ATOM 641 C LYS A 40 -5.002 8.162 3.029 1.00 0.00 C ATOM 642 O LYS A 40 -6.171 8.545 3.065 1.00 0.00 O ATOM 643 CB LYS A 40 -4.056 8.265 0.714 1.00 0.00 C ATOM 644 CG LYS A 40 -5.279 8.716 -0.070 1.00 0.00 C ATOM 645 CD LYS A 40 -4.917 9.109 -1.494 1.00 0.00 C ATOM 646 CE LYS A 40 -5.804 10.233 -2.004 1.00 0.00 C ATOM 647 NZ LYS A 40 -5.744 10.359 -3.486 1.00 0.00 N ATOM 0 H LYS A 40 -2.012 8.134 2.102 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.228 9.913 2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.158 8.549 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.058 7.177 0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.016 7.913 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.744 9.563 0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.874 9.422 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.014 8.242 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.834 10.051 -1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.497 11.174 -1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.363 11.136 -3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.766 10.558 -3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.062 9.470 -3.923 1.00 0.00 H new ATOM 661 N ILE A 41 -4.555 7.146 3.760 1.00 0.00 N ATOM 662 CA ILE A 41 -5.437 6.414 4.663 1.00 0.00 C ATOM 663 C ILE A 41 -5.707 7.222 5.927 1.00 0.00 C ATOM 664 O ILE A 41 -6.782 7.129 6.518 1.00 0.00 O ATOM 665 CB ILE A 41 -4.841 5.048 5.054 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.268 4.346 3.819 1.00 0.00 C ATOM 667 CG2 ILE A 41 -5.900 4.184 5.724 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.804 2.929 4.082 1.00 0.00 C ATOM 0 H ILE A 41 -3.591 6.812 3.745 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.373 6.247 4.130 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.029 5.208 5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.027 4.331 3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.429 4.928 3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.466 3.222 5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.263 4.684 6.622 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.730 4.026 5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.411 2.498 3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.022 2.937 4.841 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.644 2.330 4.433 1.00 0.00 H new ATOM 680 N GLU A 42 -4.725 8.022 6.332 1.00 0.00 N ATOM 681 CA GLU A 42 -4.861 8.854 7.521 1.00 0.00 C ATOM 682 C GLU A 42 -5.867 9.972 7.273 1.00 0.00 C ATOM 683 O GLU A 42 -6.564 10.411 8.189 1.00 0.00 O ATOM 684 CB GLU A 42 -3.507 9.445 7.916 1.00 0.00 C ATOM 685 CG GLU A 42 -2.463 8.396 8.262 1.00 0.00 C ATOM 686 CD GLU A 42 -2.350 8.155 9.755 1.00 0.00 C ATOM 687 OE1 GLU A 42 -3.375 8.286 10.457 1.00 0.00 O ATOM 688 OE2 GLU A 42 -1.237 7.834 10.222 1.00 0.00 O ATOM 0 H GLU A 42 -3.828 8.111 5.854 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.223 8.231 8.339 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.135 10.059 7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.644 10.105 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.716 7.460 7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.494 8.711 7.874 1.00 0.00 H new ATOM 695 N GLU A 43 -5.941 10.424 6.025 1.00 0.00 N ATOM 696 CA GLU A 43 -6.866 11.485 5.648 1.00 0.00 C ATOM 697 C GLU A 43 -8.289 10.944 5.549 1.00 0.00 C ATOM 698 O GLU A 43 -9.260 11.664 5.780 1.00 0.00 O ATOM 699 CB GLU A 43 -6.440 12.115 4.315 1.00 0.00 C ATOM 700 CG GLU A 43 -6.684 11.236 3.097 1.00 0.00 C ATOM 701 CD GLU A 43 -7.105 12.036 1.879 1.00 0.00 C ATOM 702 OE1 GLU A 43 -6.231 12.683 1.264 1.00 0.00 O ATOM 703 OE2 GLU A 43 -8.307 12.016 1.541 1.00 0.00 O ATOM 0 H GLU A 43 -5.370 10.071 5.257 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.843 12.254 6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.977 13.054 4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.379 12.359 4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.775 10.680 2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.456 10.503 3.331 1.00 0.00 H new ATOM 710 N LEU A 44 -8.396 9.666 5.203 1.00 0.00 N ATOM 711 CA LEU A 44 -9.689 9.008 5.067 1.00 0.00 C ATOM 712 C LEU A 44 -10.449 9.017 6.389 1.00 0.00 C ATOM 713 O LEU A 44 -9.856 9.175 7.456 1.00 0.00 O ATOM 714 CB LEU A 44 -9.494 7.568 4.583 1.00 0.00 C ATOM 715 CG LEU A 44 -9.634 7.368 3.074 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.295 5.936 2.693 1.00 0.00 C ATOM 717 CD2 LEU A 44 -11.041 7.725 2.618 1.00 0.00 C ATOM 0 H LEU A 44 -7.597 9.062 5.011 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.277 9.558 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.504 7.229 4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.219 6.930 5.088 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.931 8.032 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.400 5.812 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.268 5.715 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.973 5.253 3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.123 7.577 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.762 7.086 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.247 8.768 2.857 1.00 0.00 H new ATOM 729 N GLY A 45 -11.766 8.848 6.310 1.00 0.00 N ATOM 730 CA GLY A 45 -12.584 8.839 7.507 1.00 0.00 C ATOM 731 C GLY A 45 -13.727 7.847 7.423 1.00 0.00 C ATOM 732 O GLY A 45 -13.629 6.730 7.932 1.00 0.00 O ATOM 0 H GLY A 45 -12.280 8.717 5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.960 8.597 8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.986 9.838 7.676 1.00 0.00 H new ATOM 736 N GLY A 46 -14.814 8.254 6.775 1.00 0.00 N ATOM 737 CA GLY A 46 -15.966 7.384 6.636 1.00 0.00 C ATOM 738 C GLY A 46 -15.894 6.519 5.392 1.00 0.00 C ATOM 739 O GLY A 46 -15.025 5.654 5.280 1.00 0.00 O ATOM 0 H GLY A 46 -14.917 9.172 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.042 6.744 7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.872 7.989 6.602 1.00 0.00 H new ATOM 743 N GLY A 47 -16.807 6.754 4.456 1.00 0.00 N ATOM 744 CA GLY A 47 -16.825 5.983 3.227 1.00 0.00 C ATOM 745 C GLY A 47 -16.892 6.859 1.991 1.00 0.00 C ATOM 746 O GLY A 47 -16.756 8.079 2.080 1.00 0.00 O ATOM 0 H GLY A 47 -17.535 7.465 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.931 5.361 3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.682 5.309 3.237 1.00 0.00 H new ATOM 750 N GLY A 48 -17.100 6.236 0.836 1.00 0.00 N ATOM 751 CA GLY A 48 -17.180 6.982 -0.405 1.00 0.00 C ATOM 752 C GLY A 48 -15.868 6.987 -1.164 1.00 0.00 C ATOM 753 O GLY A 48 -15.785 6.469 -2.277 1.00 0.00 O ATOM 0 H GLY A 48 -17.215 5.227 0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.959 6.551 -1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -17.476 8.009 -0.190 1.00 0.00 H new ATOM 757 N GLU A 49 -14.840 7.575 -0.560 1.00 0.00 N ATOM 758 CA GLU A 49 -13.524 7.646 -1.185 1.00 0.00 C ATOM 759 C GLU A 49 -12.635 6.498 -0.716 1.00 0.00 C ATOM 760 O GLU A 49 -11.698 6.103 -1.410 1.00 0.00 O ATOM 761 CB GLU A 49 -12.857 8.986 -0.866 1.00 0.00 C ATOM 762 CG GLU A 49 -11.503 9.165 -1.531 1.00 0.00 C ATOM 763 CD GLU A 49 -10.901 10.532 -1.271 1.00 0.00 C ATOM 764 OE1 GLU A 49 -10.682 10.869 -0.089 1.00 0.00 O ATOM 765 OE2 GLU A 49 -10.652 11.266 -2.250 1.00 0.00 O ATOM 0 H GLU A 49 -14.893 8.009 0.361 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.657 7.561 -2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.517 9.795 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.737 9.075 0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.820 8.397 -1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.608 9.017 -2.606 1.00 0.00 H new ATOM 772 N VAL A 50 -12.936 5.966 0.465 1.00 0.00 N ATOM 773 CA VAL A 50 -12.165 4.863 1.029 1.00 0.00 C ATOM 774 C VAL A 50 -12.082 3.690 0.058 1.00 0.00 C ATOM 775 O VAL A 50 -11.119 2.924 0.076 1.00 0.00 O ATOM 776 CB VAL A 50 -12.779 4.376 2.357 1.00 0.00 C ATOM 777 CG1 VAL A 50 -14.169 3.799 2.129 1.00 0.00 C ATOM 778 CG2 VAL A 50 -11.871 3.354 3.023 1.00 0.00 C ATOM 0 H VAL A 50 -13.709 6.281 1.051 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.160 5.242 1.216 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.875 5.232 3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.583 3.462 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.816 4.566 1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.105 2.956 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.321 3.022 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.739 2.499 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.901 3.808 3.228 1.00 0.00 H new ATOM 788 N LYS A 51 -13.100 3.554 -0.784 1.00 0.00 N ATOM 789 CA LYS A 51 -13.146 2.474 -1.762 1.00 0.00 C ATOM 790 C LYS A 51 -12.041 2.627 -2.804 1.00 0.00 C ATOM 791 O LYS A 51 -11.513 1.638 -3.312 1.00 0.00 O ATOM 792 CB LYS A 51 -14.511 2.442 -2.452 1.00 0.00 C ATOM 793 CG LYS A 51 -14.865 1.087 -3.041 1.00 0.00 C ATOM 794 CD LYS A 51 -16.241 1.103 -3.687 1.00 0.00 C ATOM 795 CE LYS A 51 -16.400 -0.032 -4.687 1.00 0.00 C ATOM 796 NZ LYS A 51 -16.869 -1.285 -4.035 1.00 0.00 N ATOM 0 H LYS A 51 -13.906 4.179 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.989 1.535 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.279 2.728 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.525 3.188 -3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.117 0.805 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.839 0.330 -2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -17.007 1.020 -2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.397 2.057 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.110 0.262 -5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.447 -0.216 -5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.965 -2.034 -4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.180 -1.580 -3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.791 -1.118 -3.584 1.00 0.00 H new ATOM 810 N LYS A 52 -11.698 3.872 -3.119 1.00 0.00 N ATOM 811 CA LYS A 52 -10.657 4.152 -4.102 1.00 0.00 C ATOM 812 C LYS A 52 -9.281 3.764 -3.567 1.00 0.00 C ATOM 813 O LYS A 52 -8.573 2.962 -4.173 1.00 0.00 O ATOM 814 CB LYS A 52 -10.677 5.636 -4.482 1.00 0.00 C ATOM 815 CG LYS A 52 -9.496 6.067 -5.338 1.00 0.00 C ATOM 816 CD LYS A 52 -9.781 7.370 -6.067 1.00 0.00 C ATOM 817 CE LYS A 52 -10.804 7.179 -7.176 1.00 0.00 C ATOM 818 NZ LYS A 52 -10.308 7.690 -8.483 1.00 0.00 N ATOM 0 H LYS A 52 -12.125 4.702 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.857 3.554 -4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.601 5.851 -5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.691 6.234 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.614 6.187 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.267 5.286 -6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.147 8.112 -5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.855 7.762 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.046 6.120 -7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.727 7.695 -6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.034 7.541 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.101 8.706 -8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.441 7.180 -8.749 1.00 0.00 H new ATOM 832 N VAL A 53 -8.908 4.342 -2.428 1.00 0.00 N ATOM 833 CA VAL A 53 -7.615 4.058 -1.811 1.00 0.00 C ATOM 834 C VAL A 53 -7.401 2.558 -1.630 1.00 0.00 C ATOM 835 O VAL A 53 -6.266 2.087 -1.585 1.00 0.00 O ATOM 836 CB VAL A 53 -7.481 4.750 -0.441 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.054 4.641 0.075 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.913 6.206 -0.531 1.00 0.00 C ATOM 0 H VAL A 53 -9.483 5.010 -1.914 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.855 4.450 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.139 4.244 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.979 5.135 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.785 3.590 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.374 5.119 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.811 6.677 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.285 6.728 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.953 6.258 -0.852 1.00 0.00 H new ATOM 848 N GLU A 54 -8.498 1.813 -1.527 1.00 0.00 N ATOM 849 CA GLU A 54 -8.425 0.367 -1.353 1.00 0.00 C ATOM 850 C GLU A 54 -7.831 -0.296 -2.591 1.00 0.00 C ATOM 851 O GLU A 54 -7.063 -1.252 -2.488 1.00 0.00 O ATOM 852 CB GLU A 54 -9.816 -0.205 -1.071 1.00 0.00 C ATOM 853 CG GLU A 54 -9.788 -1.572 -0.407 1.00 0.00 C ATOM 854 CD GLU A 54 -11.165 -2.041 0.019 1.00 0.00 C ATOM 855 OE1 GLU A 54 -11.972 -2.397 -0.866 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.438 -2.053 1.238 1.00 0.00 O ATOM 0 H GLU A 54 -9.446 2.187 -1.561 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.776 0.159 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.363 0.489 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.367 -0.277 -2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.358 -2.298 -1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.135 -1.535 0.465 1.00 0.00 H new ATOM 863 N GLU A 55 -8.190 0.224 -3.760 1.00 0.00 N ATOM 864 CA GLU A 55 -7.692 -0.311 -5.021 1.00 0.00 C ATOM 865 C GLU A 55 -6.220 0.040 -5.216 1.00 0.00 C ATOM 866 O GLU A 55 -5.482 -0.678 -5.889 1.00 0.00 O ATOM 867 CB GLU A 55 -8.519 0.233 -6.189 1.00 0.00 C ATOM 868 CG GLU A 55 -8.054 -0.264 -7.549 1.00 0.00 C ATOM 869 CD GLU A 55 -9.206 -0.677 -8.443 1.00 0.00 C ATOM 870 OE1 GLU A 55 -10.131 0.140 -8.636 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.184 -1.818 -8.951 1.00 0.00 O ATOM 0 H GLU A 55 -8.825 1.016 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.787 -1.397 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.562 -0.048 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.478 1.322 -6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.480 0.521 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.383 -1.112 -7.412 1.00 0.00 H new ATOM 878 N GLU A 56 -5.801 1.154 -4.621 1.00 0.00 N ATOM 879 CA GLU A 56 -4.419 1.609 -4.725 1.00 0.00 C ATOM 880 C GLU A 56 -3.481 0.705 -3.931 1.00 0.00 C ATOM 881 O GLU A 56 -2.308 0.556 -4.274 1.00 0.00 O ATOM 882 CB GLU A 56 -4.306 3.049 -4.224 1.00 0.00 C ATOM 883 CG GLU A 56 -4.640 4.090 -5.281 1.00 0.00 C ATOM 884 CD GLU A 56 -5.418 5.264 -4.717 1.00 0.00 C ATOM 885 OE1 GLU A 56 -6.656 5.149 -4.591 1.00 0.00 O ATOM 886 OE2 GLU A 56 -4.790 6.296 -4.403 1.00 0.00 O ATOM 0 H GLU A 56 -6.401 1.759 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.124 1.566 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.973 3.182 -3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.291 3.221 -3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.717 4.454 -5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.221 3.622 -6.076 1.00 0.00 H new ATOM 893 N VAL A 57 -4.005 0.104 -2.868 1.00 0.00 N ATOM 894 CA VAL A 57 -3.217 -0.786 -2.023 1.00 0.00 C ATOM 895 C VAL A 57 -3.163 -2.192 -2.607 1.00 0.00 C ATOM 896 O VAL A 57 -2.230 -2.949 -2.345 1.00 0.00 O ATOM 897 CB VAL A 57 -3.790 -0.860 -0.594 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.841 -1.619 0.323 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.067 0.536 -0.054 1.00 0.00 C ATOM 0 H VAL A 57 -4.974 0.217 -2.571 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.210 -0.372 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.735 -1.402 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.262 -1.661 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.702 -2.632 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.879 -1.108 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.471 0.462 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.140 1.109 -0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.789 1.038 -0.698 1.00 0.00 H new ATOM 909 N LYS A 58 -4.178 -2.537 -3.390 1.00 0.00 N ATOM 910 CA LYS A 58 -4.264 -3.853 -4.011 1.00 0.00 C ATOM 911 C LYS A 58 -3.301 -3.980 -5.190 1.00 0.00 C ATOM 912 O LYS A 58 -2.854 -5.077 -5.518 1.00 0.00 O ATOM 913 CB LYS A 58 -5.696 -4.119 -4.475 1.00 0.00 C ATOM 914 CG LYS A 58 -6.462 -5.070 -3.568 1.00 0.00 C ATOM 915 CD LYS A 58 -7.493 -5.871 -4.346 1.00 0.00 C ATOM 916 CE LYS A 58 -6.839 -6.750 -5.401 1.00 0.00 C ATOM 917 NZ LYS A 58 -7.428 -8.117 -5.428 1.00 0.00 N ATOM 0 H LYS A 58 -4.958 -1.918 -3.611 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.980 -4.595 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.233 -3.172 -4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.672 -4.532 -5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.764 -5.750 -3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.959 -4.503 -2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.066 -6.493 -3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.198 -5.191 -4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.953 -6.286 -6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.769 -6.819 -5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.955 -8.684 -6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.297 -8.570 -4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.444 -8.053 -5.642 1.00 0.00 H new ATOM 931 N LYS A 59 -3.004 -2.858 -5.838 1.00 0.00 N ATOM 932 CA LYS A 59 -2.112 -2.857 -6.995 1.00 0.00 C ATOM 933 C LYS A 59 -0.648 -2.994 -6.585 1.00 0.00 C ATOM 934 O LYS A 59 0.127 -3.669 -7.262 1.00 0.00 O ATOM 935 CB LYS A 59 -2.301 -1.575 -7.808 1.00 0.00 C ATOM 936 CG LYS A 59 -1.433 -1.512 -9.057 1.00 0.00 C ATOM 937 CD LYS A 59 -0.464 -0.339 -9.014 1.00 0.00 C ATOM 938 CE LYS A 59 -0.432 0.408 -10.338 1.00 0.00 C ATOM 939 NZ LYS A 59 -0.340 1.882 -10.143 1.00 0.00 N ATOM 0 H LYS A 59 -3.366 -1.939 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.372 -3.721 -7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.348 -1.490 -8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.075 -0.717 -7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.874 -2.442 -9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.069 -1.426 -9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.754 0.345 -8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.536 -0.701 -8.775 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.419 0.066 -10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.330 0.173 -10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.321 2.354 -11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.165 2.213 -9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.530 2.109 -9.620 1.00 0.00 H new ATOM 953 N LEU A 60 -0.266 -2.347 -5.489 1.00 0.00 N ATOM 954 CA LEU A 60 1.116 -2.407 -5.021 1.00 0.00 C ATOM 955 C LEU A 60 1.409 -3.717 -4.304 1.00 0.00 C ATOM 956 O LEU A 60 2.554 -4.156 -4.247 1.00 0.00 O ATOM 957 CB LEU A 60 1.431 -1.234 -4.096 1.00 0.00 C ATOM 958 CG LEU A 60 2.923 -0.909 -3.981 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.171 0.574 -4.185 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.472 -1.369 -2.640 1.00 0.00 C ATOM 0 H LEU A 60 -0.887 -1.780 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 60 1.754 -2.347 -5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.905 -0.350 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.041 -1.454 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 60 3.449 -1.450 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.238 0.780 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.824 0.868 -5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.630 1.141 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.533 -1.128 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.939 -0.863 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.338 -2.446 -2.542 1.00 0.00 H new ATOM 972 N GLU A 61 0.374 -4.337 -3.753 1.00 0.00 N ATOM 973 CA GLU A 61 0.532 -5.597 -3.043 1.00 0.00 C ATOM 974 C GLU A 61 0.880 -6.718 -4.017 1.00 0.00 C ATOM 975 O GLU A 61 1.879 -7.417 -3.850 1.00 0.00 O ATOM 976 CB GLU A 61 -0.754 -5.932 -2.290 1.00 0.00 C ATOM 977 CG GLU A 61 -0.520 -6.437 -0.878 1.00 0.00 C ATOM 978 CD GLU A 61 -1.417 -7.606 -0.519 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.612 -7.374 -0.242 1.00 0.00 O ATOM 980 OE2 GLU A 61 -0.924 -8.754 -0.516 1.00 0.00 O ATOM 0 H GLU A 61 -0.584 -3.987 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 61 1.348 -5.497 -2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.383 -5.043 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.306 -6.687 -2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.522 -6.738 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.690 -5.624 -0.173 1.00 0.00 H new ATOM 987 N GLU A 62 0.046 -6.873 -5.038 1.00 0.00 N ATOM 988 CA GLU A 62 0.251 -7.897 -6.054 1.00 0.00 C ATOM 989 C GLU A 62 1.525 -7.627 -6.851 1.00 0.00 C ATOM 990 O GLU A 62 2.140 -8.547 -7.389 1.00 0.00 O ATOM 991 CB GLU A 62 -0.954 -7.942 -6.996 1.00 0.00 C ATOM 992 CG GLU A 62 -1.330 -9.347 -7.434 1.00 0.00 C ATOM 993 CD GLU A 62 -2.536 -9.369 -8.353 1.00 0.00 C ATOM 994 OE1 GLU A 62 -2.390 -8.980 -9.531 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.625 -9.774 -7.896 1.00 0.00 O ATOM 0 H GLU A 62 -0.784 -6.298 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 62 0.357 -8.860 -5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.810 -7.484 -6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.737 -7.341 -7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.482 -9.804 -7.943 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.538 -9.955 -6.553 1.00 0.00 H new ATOM 1002 N GLU A 63 1.909 -6.356 -6.926 1.00 0.00 N ATOM 1003 CA GLU A 63 3.103 -5.955 -7.659 1.00 0.00 C ATOM 1004 C GLU A 63 4.353 -6.610 -7.077 1.00 0.00 C ATOM 1005 O GLU A 63 5.141 -7.219 -7.801 1.00 0.00 O ATOM 1006 CB GLU A 63 3.241 -4.429 -7.639 1.00 0.00 C ATOM 1007 CG GLU A 63 2.738 -3.757 -8.907 1.00 0.00 C ATOM 1008 CD GLU A 63 3.819 -2.968 -9.619 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.736 -2.467 -8.934 1.00 0.00 O ATOM 1010 OE2 GLU A 63 3.749 -2.850 -10.860 1.00 0.00 O ATOM 0 H GLU A 63 1.408 -5.584 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 63 3.000 -6.290 -8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.691 -4.034 -6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.289 -4.169 -7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.342 -4.515 -9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.912 -3.091 -8.657 1.00 0.00 H new ATOM 1017 N ILE A 64 4.528 -6.487 -5.765 1.00 0.00 N ATOM 1018 CA ILE A 64 5.678 -7.071 -5.087 1.00 0.00 C ATOM 1019 C ILE A 64 5.686 -8.591 -5.228 1.00 0.00 C ATOM 1020 O ILE A 64 6.737 -9.226 -5.139 1.00 0.00 O ATOM 1021 CB ILE A 64 5.691 -6.708 -3.588 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.522 -5.196 -3.402 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.980 -7.191 -2.934 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.646 -4.740 -1.963 1.00 0.00 C ATOM 0 H ILE A 64 3.886 -5.987 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 64 6.568 -6.658 -5.562 1.00 0.00 H new ATOM 0 HB ILE A 64 4.853 -7.208 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.270 -4.679 -4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.546 -4.899 -3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.973 -6.927 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.057 -8.273 -3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.834 -6.719 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.515 -3.659 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.880 -5.228 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.632 -5.005 -1.581 1.00 0.00 H new ATOM 1036 N LYS A 65 4.508 -9.169 -5.444 1.00 0.00 N ATOM 1037 CA LYS A 65 4.383 -10.614 -5.594 1.00 0.00 C ATOM 1038 C LYS A 65 5.084 -11.094 -6.861 1.00 0.00 C ATOM 1039 O LYS A 65 5.606 -12.208 -6.911 1.00 0.00 O ATOM 1040 CB LYS A 65 2.907 -11.020 -5.625 1.00 0.00 C ATOM 1041 CG LYS A 65 2.429 -11.672 -4.337 1.00 0.00 C ATOM 1042 CD LYS A 65 2.166 -10.641 -3.253 1.00 0.00 C ATOM 1043 CE LYS A 65 2.382 -11.223 -1.866 1.00 0.00 C ATOM 1044 NZ LYS A 65 2.564 -10.161 -0.839 1.00 0.00 N ATOM 0 H LYS A 65 3.628 -8.659 -5.519 1.00 0.00 H new ATOM 0 HA LYS A 65 4.863 -11.085 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.300 -10.137 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.746 -11.710 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.518 -12.237 -4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.178 -12.384 -3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.825 -9.785 -3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.143 -10.274 -3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.529 -11.845 -1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.258 -11.871 -1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.708 -10.600 0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.393 -9.582 -1.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.717 -9.558 -0.810 1.00 0.00 H new ATOM 1058 N LYS A 66 5.092 -10.246 -7.885 1.00 0.00 N ATOM 1059 CA LYS A 66 5.727 -10.585 -9.153 1.00 0.00 C ATOM 1060 C LYS A 66 7.239 -10.708 -8.988 1.00 0.00 C ATOM 1061 O LYS A 66 7.817 -11.762 -9.251 1.00 0.00 O ATOM 1062 CB LYS A 66 5.402 -9.528 -10.209 1.00 0.00 C ATOM 1063 CG LYS A 66 3.916 -9.231 -10.334 1.00 0.00 C ATOM 1064 CD LYS A 66 3.614 -8.418 -11.583 1.00 0.00 C ATOM 1065 CE LYS A 66 2.559 -7.356 -11.314 1.00 0.00 C ATOM 1066 NZ LYS A 66 1.404 -7.903 -10.549 1.00 0.00 N ATOM 0 H LYS A 66 4.666 -9.320 -7.861 1.00 0.00 H new ATOM 0 HA LYS A 66 5.335 -11.548 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.929 -8.606 -9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.780 -9.863 -11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.358 -10.167 -10.364 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.577 -8.686 -9.453 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.528 -7.943 -11.939 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.270 -9.082 -12.376 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.006 -6.533 -10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.206 -6.946 -12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.551 -7.350 -10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.250 -8.896 -10.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.604 -7.845 -9.530 1.00 0.00 H new ATOM 1080 N LEU A 67 7.872 -9.624 -8.553 1.00 0.00 N ATOM 1081 CA LEU A 67 9.311 -9.606 -8.354 1.00 0.00 C ATOM 1082 C LEU A 67 9.731 -10.639 -7.313 1.00 0.00 C ATOM 1083 O LEU A 67 10.951 -10.861 -7.159 1.00 0.00 O ATOM 1084 CB LEU A 67 9.755 -8.211 -7.919 1.00 0.00 C ATOM 1085 CG LEU A 67 8.948 -7.606 -6.765 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.764 -7.609 -5.480 1.00 0.00 C ATOM 1087 CD2 LEU A 67 8.497 -6.192 -7.108 1.00 0.00 C ATOM 1088 OXT LEU A 67 8.838 -11.217 -6.658 1.00 0.00 O ATOM 0 H LEU A 67 7.406 -8.744 -8.331 1.00 0.00 H new ATOM 0 HA LEU A 67 9.793 -9.860 -9.298 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.804 -8.255 -7.625 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.692 -7.542 -8.777 1.00 0.00 H new ATOM 0 HG LEU A 67 8.061 -8.221 -6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.173 -7.176 -4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.034 -8.633 -5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.670 -7.020 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.926 -5.780 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.370 -5.566 -7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.872 -6.216 -8.001 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 7.717 2.643 3.093 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.562 1.955 2.783 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.618 0.760 2.077 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.851 0.260 1.686 1.00 0.00 C HETATM 1105 C4 HTS A 101 9.011 0.945 1.994 1.00 0.00 C HETATM 1106 C5 HTS A 101 8.944 2.136 2.698 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.333 2.443 3.167 1.00 0.00 O HETATM 1108 S1 HTS A 101 5.077 0.010 1.763 1.00 0.00 S HETATM 0 HO1 HTS A 101 4.642 1.774 2.978 1.00 0.00 H new HETATM 0 H6 HTS A 101 7.664 3.581 3.646 1.00 0.00 H new HETATM 0 H5 HTS A 101 9.859 2.676 2.942 1.00 0.00 H new HETATM 0 H4 HTS A 101 9.978 0.549 1.683 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.905 -0.678 1.133 1.00 0.00 H new