USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -74:sc= 0.179 USER MOD Set 1.2: A 9 THR OG1 : rot -61:sc= 0.219 USER MOD Single : A 2 GLN : amide:sc= -3.83! C(o=-3.8!,f=-2.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -76:sc= 0.453 USER MOD Single : A 20 SER OG : rot 180:sc= -0.439 USER MOD Single : A 22 THR OG1 : rot 155:sc= 0.0814 USER MOD Single : A 25 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 27 LYS NZ :NH3+ -134:sc= -1.35 (180deg=-3.52!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.74) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -4.59! C(o=-4.6!,f=-13!) USER MOD Single : A 41 GLN : amide:sc= -6.99! C(o=-7!,f=-5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.263 X(o=0.26,f=-0.0044) USER MOD Single : A 62 GLN : amide:sc= -0.0411 X(o=-0.041,f=-0.19) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 53.260 -9.869 1.436 1.00 0.00 N ATOM 21 CA GLN A 2 53.876 -8.614 1.854 1.00 0.00 C ATOM 22 C GLN A 2 55.164 -8.882 2.625 1.00 0.00 C ATOM 23 O GLN A 2 55.298 -9.911 3.287 1.00 0.00 O ATOM 24 CB GLN A 2 52.908 -7.825 2.738 1.00 0.00 C ATOM 25 CG GLN A 2 51.739 -7.309 1.893 1.00 0.00 C ATOM 26 CD GLN A 2 51.808 -5.790 1.777 1.00 0.00 C ATOM 27 OE1 GLN A 2 50.780 -5.117 1.825 1.00 0.00 O ATOM 28 NE2 GLN A 2 52.967 -5.208 1.622 1.00 0.00 N ATOM 0 HA GLN A 2 54.111 -8.032 0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 2 52.535 -8.460 3.542 1.00 0.00 H new ATOM 0 HB3 GLN A 2 53.427 -6.989 3.206 1.00 0.00 H new ATOM 0 HG2 GLN A 2 51.770 -7.759 0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 2 50.793 -7.604 2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 2 53.818 -5.769 1.583 1.00 0.00 H new ATOM 0 HE22 GLN A 2 53.021 -4.193 1.540 1.00 0.00 H new ATOM 37 N ILE A 3 56.106 -7.945 2.538 1.00 0.00 N ATOM 38 CA ILE A 3 57.379 -8.082 3.236 1.00 0.00 C ATOM 39 C ILE A 3 57.696 -6.815 4.021 1.00 0.00 C ATOM 40 O ILE A 3 57.164 -5.743 3.728 1.00 0.00 O ATOM 41 CB ILE A 3 58.501 -8.362 2.233 1.00 0.00 C ATOM 42 CG1 ILE A 3 58.446 -7.337 1.099 1.00 0.00 C ATOM 43 CG2 ILE A 3 58.331 -9.768 1.654 1.00 0.00 C ATOM 44 CD1 ILE A 3 59.847 -7.150 0.520 1.00 0.00 C ATOM 0 H ILE A 3 56.011 -7.088 1.994 1.00 0.00 H new ATOM 0 HA ILE A 3 57.302 -8.917 3.932 1.00 0.00 H new ATOM 0 HB ILE A 3 59.463 -8.290 2.741 1.00 0.00 H new ATOM 0 HG12 ILE A 3 57.761 -7.674 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 3 58.064 -6.386 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 3 59.130 -9.967 0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 3 58.374 -10.501 2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 3 57.368 -9.840 1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 3 59.812 -6.420 -0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 3 60.519 -6.794 1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 3 60.211 -8.102 0.134 1.00 0.00 H new ATOM 56 N PHE A 4 58.562 -6.946 5.021 1.00 0.00 N ATOM 57 CA PHE A 4 58.942 -5.806 5.849 1.00 0.00 C ATOM 58 C PHE A 4 60.361 -5.355 5.522 1.00 0.00 C ATOM 59 O PHE A 4 61.235 -6.177 5.250 1.00 0.00 O ATOM 60 CB PHE A 4 58.859 -6.187 7.327 1.00 0.00 C ATOM 61 CG PHE A 4 57.410 -6.318 7.733 1.00 0.00 C ATOM 62 CD1 PHE A 4 56.614 -5.172 7.868 1.00 0.00 C ATOM 63 CD2 PHE A 4 56.860 -7.583 7.970 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.271 -5.295 8.243 1.00 0.00 C ATOM 65 CE2 PHE A 4 55.517 -7.705 8.343 1.00 0.00 C ATOM 66 CZ PHE A 4 54.723 -6.559 8.480 1.00 0.00 C ATOM 0 H PHE A 4 59.012 -7.825 5.277 1.00 0.00 H new ATOM 0 HA PHE A 4 58.254 -4.986 5.642 1.00 0.00 H new ATOM 0 HB2 PHE A 4 59.383 -7.127 7.501 1.00 0.00 H new ATOM 0 HB3 PHE A 4 59.352 -5.430 7.937 1.00 0.00 H new ATOM 0 HD1 PHE A 4 57.036 -4.195 7.683 1.00 0.00 H new ATOM 0 HD2 PHE A 4 57.473 -8.466 7.865 1.00 0.00 H new ATOM 0 HE1 PHE A 4 54.658 -4.412 8.349 1.00 0.00 H new ATOM 0 HE2 PHE A 4 55.093 -8.681 8.525 1.00 0.00 H new ATOM 0 HZ PHE A 4 53.687 -6.652 8.769 1.00 0.00 H new ATOM 76 N VAL A 5 60.581 -4.042 5.556 1.00 0.00 N ATOM 77 CA VAL A 5 61.897 -3.482 5.268 1.00 0.00 C ATOM 78 C VAL A 5 62.380 -2.636 6.442 1.00 0.00 C ATOM 79 O VAL A 5 61.691 -1.714 6.879 1.00 0.00 O ATOM 80 CB VAL A 5 61.838 -2.621 4.006 1.00 0.00 C ATOM 81 CG1 VAL A 5 63.088 -1.744 3.926 1.00 0.00 C ATOM 82 CG2 VAL A 5 61.776 -3.527 2.774 1.00 0.00 C ATOM 0 H VAL A 5 59.867 -3.349 5.780 1.00 0.00 H new ATOM 0 HA VAL A 5 62.596 -4.304 5.110 1.00 0.00 H new ATOM 0 HB VAL A 5 60.951 -1.988 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 5 63.045 -1.131 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.136 -1.099 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.975 -2.377 3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 5 61.734 -2.914 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 5 62.664 -4.159 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 5 60.886 -4.154 2.828 1.00 0.00 H new ATOM 92 N LYS A 6 63.566 -2.957 6.949 1.00 0.00 N ATOM 93 CA LYS A 6 64.127 -2.220 8.076 1.00 0.00 C ATOM 94 C LYS A 6 65.122 -1.171 7.590 1.00 0.00 C ATOM 95 O LYS A 6 66.094 -1.492 6.908 1.00 0.00 O ATOM 96 CB LYS A 6 64.826 -3.183 9.034 1.00 0.00 C ATOM 97 CG LYS A 6 64.412 -2.860 10.471 1.00 0.00 C ATOM 98 CD LYS A 6 65.128 -3.811 11.429 1.00 0.00 C ATOM 99 CE LYS A 6 66.226 -3.051 12.178 1.00 0.00 C ATOM 100 NZ LYS A 6 67.114 -4.023 12.877 1.00 0.00 N ATOM 0 H LYS A 6 64.153 -3.715 6.601 1.00 0.00 H new ATOM 0 HA LYS A 6 63.312 -1.717 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 6 64.561 -4.212 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 6 65.907 -3.098 8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 6 64.663 -1.827 10.711 1.00 0.00 H new ATOM 0 HG3 LYS A 6 63.332 -2.959 10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 6 64.416 -4.234 12.137 1.00 0.00 H new ATOM 0 HD3 LYS A 6 65.561 -4.644 10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 6 66.807 -2.448 11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 6 65.781 -2.365 12.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 67.860 -3.508 13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 66.554 -4.580 13.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 67.548 -4.661 12.179 1.00 0.00 H new ATOM 114 N THR A 7 64.873 0.083 7.951 1.00 0.00 N ATOM 115 CA THR A 7 65.754 1.174 7.550 1.00 0.00 C ATOM 116 C THR A 7 66.768 1.473 8.650 1.00 0.00 C ATOM 117 O THR A 7 66.697 0.911 9.742 1.00 0.00 O ATOM 118 CB THR A 7 64.931 2.429 7.256 1.00 0.00 C ATOM 119 OG1 THR A 7 64.274 2.849 8.443 1.00 0.00 O ATOM 120 CG2 THR A 7 63.892 2.122 6.177 1.00 0.00 C ATOM 0 H THR A 7 64.074 0.368 8.517 1.00 0.00 H new ATOM 0 HA THR A 7 66.289 0.873 6.649 1.00 0.00 H new ATOM 0 HB THR A 7 65.591 3.222 6.904 1.00 0.00 H new ATOM 0 HG1 THR A 7 63.525 2.247 8.633 1.00 0.00 H new ATOM 0 HG21 THR A 7 63.307 3.018 5.970 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.397 1.800 5.267 1.00 0.00 H new ATOM 0 HG23 THR A 7 63.230 1.329 6.525 1.00 0.00 H new ATOM 128 N LEU A 8 67.711 2.360 8.352 1.00 0.00 N ATOM 129 CA LEU A 8 68.734 2.728 9.322 1.00 0.00 C ATOM 130 C LEU A 8 68.105 3.412 10.532 1.00 0.00 C ATOM 131 O LEU A 8 68.755 3.595 11.560 1.00 0.00 O ATOM 132 CB LEU A 8 69.747 3.671 8.669 1.00 0.00 C ATOM 133 CG LEU A 8 70.730 2.868 7.809 1.00 0.00 C ATOM 134 CD1 LEU A 8 71.663 2.032 8.696 1.00 0.00 C ATOM 135 CD2 LEU A 8 69.953 1.934 6.878 1.00 0.00 C ATOM 0 H LEU A 8 67.788 2.834 7.452 1.00 0.00 H new ATOM 0 HA LEU A 8 69.239 1.822 9.656 1.00 0.00 H new ATOM 0 HB2 LEU A 8 69.228 4.406 8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 8 70.289 4.224 9.436 1.00 0.00 H new ATOM 0 HG LEU A 8 71.328 3.566 7.223 1.00 0.00 H new ATOM 0 HD11 LEU A 8 72.354 1.469 8.068 1.00 0.00 H new ATOM 0 HD12 LEU A 8 72.227 2.692 9.355 1.00 0.00 H new ATOM 0 HD13 LEU A 8 71.072 1.340 9.296 1.00 0.00 H new ATOM 0 HD21 LEU A 8 70.653 1.364 6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 8 69.348 1.249 7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 8 69.303 2.523 6.231 1.00 0.00 H new ATOM 147 N THR A 9 66.839 3.790 10.398 1.00 0.00 N ATOM 148 CA THR A 9 66.133 4.456 11.488 1.00 0.00 C ATOM 149 C THR A 9 65.246 3.466 12.237 1.00 0.00 C ATOM 150 O THR A 9 64.569 3.830 13.198 1.00 0.00 O ATOM 151 CB THR A 9 65.275 5.595 10.932 1.00 0.00 C ATOM 152 OG1 THR A 9 63.977 5.105 10.631 1.00 0.00 O ATOM 153 CG2 THR A 9 65.922 6.150 9.662 1.00 0.00 C ATOM 0 H THR A 9 66.284 3.649 9.554 1.00 0.00 H new ATOM 0 HA THR A 9 66.870 4.860 12.182 1.00 0.00 H new ATOM 0 HB THR A 9 65.199 6.389 11.675 1.00 0.00 H new ATOM 0 HG1 THR A 9 64.042 4.402 9.951 1.00 0.00 H new ATOM 0 HG21 THR A 9 65.310 6.961 9.267 1.00 0.00 H new ATOM 0 HG22 THR A 9 66.918 6.527 9.896 1.00 0.00 H new ATOM 0 HG23 THR A 9 66.000 5.358 8.917 1.00 0.00 H new ATOM 161 N GLY A 10 65.259 2.213 11.793 1.00 0.00 N ATOM 162 CA GLY A 10 64.452 1.180 12.430 1.00 0.00 C ATOM 163 C GLY A 10 63.059 1.116 11.816 1.00 0.00 C ATOM 164 O GLY A 10 62.427 0.060 11.792 1.00 0.00 O ATOM 0 H GLY A 10 65.815 1.891 11.001 1.00 0.00 H new ATOM 0 HA2 GLY A 10 64.944 0.213 12.325 1.00 0.00 H new ATOM 0 HA3 GLY A 10 64.373 1.383 13.498 1.00 0.00 H new ATOM 168 N LYS A 11 62.584 2.254 11.319 1.00 0.00 N ATOM 169 CA LYS A 11 61.261 2.316 10.705 1.00 0.00 C ATOM 170 C LYS A 11 61.019 1.088 9.831 1.00 0.00 C ATOM 171 O LYS A 11 61.849 0.738 8.992 1.00 0.00 O ATOM 172 CB LYS A 11 61.139 3.581 9.856 1.00 0.00 C ATOM 173 CG LYS A 11 59.820 3.552 9.082 1.00 0.00 C ATOM 174 CD LYS A 11 59.377 4.984 8.770 1.00 0.00 C ATOM 175 CE LYS A 11 58.066 4.954 7.985 1.00 0.00 C ATOM 176 NZ LYS A 11 56.952 5.421 8.858 1.00 0.00 N ATOM 0 H LYS A 11 63.090 3.139 11.329 1.00 0.00 H new ATOM 0 HA LYS A 11 60.513 2.338 11.497 1.00 0.00 H new ATOM 0 HB2 LYS A 11 61.179 4.464 10.493 1.00 0.00 H new ATOM 0 HB3 LYS A 11 61.978 3.649 9.163 1.00 0.00 H new ATOM 0 HG2 LYS A 11 59.942 2.988 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 11 59.054 3.043 9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 11 59.246 5.545 9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 11 60.147 5.496 8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 11 58.143 5.591 7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 11 57.865 3.943 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 56.060 5.400 8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 56.874 4.796 9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 57.143 6.393 9.175 1.00 0.00 H new ATOM 190 N THR A 12 59.877 0.439 10.033 1.00 0.00 N ATOM 191 CA THR A 12 59.536 -0.748 9.259 1.00 0.00 C ATOM 192 C THR A 12 58.562 -0.397 8.138 1.00 0.00 C ATOM 193 O THR A 12 57.475 0.126 8.389 1.00 0.00 O ATOM 194 CB THR A 12 58.910 -1.806 10.170 1.00 0.00 C ATOM 195 OG1 THR A 12 59.503 -1.728 11.458 1.00 0.00 O ATOM 196 CG2 THR A 12 59.147 -3.197 9.579 1.00 0.00 C ATOM 0 H THR A 12 59.176 0.713 10.722 1.00 0.00 H new ATOM 0 HA THR A 12 60.451 -1.145 8.818 1.00 0.00 H new ATOM 0 HB THR A 12 57.838 -1.628 10.252 1.00 0.00 H new ATOM 0 HG1 THR A 12 59.102 -2.404 12.044 1.00 0.00 H new ATOM 0 HG21 THR A 12 58.701 -3.949 10.229 1.00 0.00 H new ATOM 0 HG22 THR A 12 58.691 -3.255 8.591 1.00 0.00 H new ATOM 0 HG23 THR A 12 60.218 -3.379 9.496 1.00 0.00 H new ATOM 204 N ILE A 13 58.959 -0.690 6.904 1.00 0.00 N ATOM 205 CA ILE A 13 58.117 -0.405 5.747 1.00 0.00 C ATOM 206 C ILE A 13 57.521 -1.694 5.190 1.00 0.00 C ATOM 207 O ILE A 13 58.222 -2.693 5.032 1.00 0.00 O ATOM 208 CB ILE A 13 58.940 0.282 4.656 1.00 0.00 C ATOM 209 CG1 ILE A 13 60.207 0.879 5.273 1.00 0.00 C ATOM 210 CG2 ILE A 13 58.114 1.396 4.006 1.00 0.00 C ATOM 211 CD1 ILE A 13 60.848 1.854 4.282 1.00 0.00 C ATOM 0 H ILE A 13 59.855 -1.123 6.679 1.00 0.00 H new ATOM 0 HA ILE A 13 57.309 0.254 6.065 1.00 0.00 H new ATOM 0 HB ILE A 13 59.214 -0.451 3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 13 59.963 1.395 6.201 1.00 0.00 H new ATOM 0 HG13 ILE A 13 60.910 0.085 5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 13 58.705 1.882 3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 13 57.214 0.970 3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 13 57.834 2.130 4.762 1.00 0.00 H new ATOM 0 HD11 ILE A 13 61.750 2.279 4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 13 61.106 1.324 3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 13 60.145 2.654 4.052 1.00 0.00 H new ATOM 223 N THR A 14 56.226 -1.660 4.889 1.00 0.00 N ATOM 224 CA THR A 14 55.550 -2.830 4.342 1.00 0.00 C ATOM 225 C THR A 14 55.295 -2.639 2.850 1.00 0.00 C ATOM 226 O THR A 14 54.605 -1.704 2.447 1.00 0.00 O ATOM 227 CB THR A 14 54.218 -3.053 5.063 1.00 0.00 C ATOM 228 OG1 THR A 14 54.364 -2.720 6.436 1.00 0.00 O ATOM 229 CG2 THR A 14 53.803 -4.519 4.933 1.00 0.00 C ATOM 0 H THR A 14 55.629 -0.842 5.013 1.00 0.00 H new ATOM 0 HA THR A 14 56.189 -3.701 4.489 1.00 0.00 H new ATOM 0 HB THR A 14 53.452 -2.421 4.614 1.00 0.00 H new ATOM 0 HG1 THR A 14 54.847 -3.437 6.897 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.855 -4.676 5.447 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.691 -4.773 3.879 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.567 -5.155 5.380 1.00 0.00 H new ATOM 237 N LEU A 15 55.863 -3.530 2.040 1.00 0.00 N ATOM 238 CA LEU A 15 55.701 -3.450 0.591 1.00 0.00 C ATOM 239 C LEU A 15 55.084 -4.738 0.053 1.00 0.00 C ATOM 240 O LEU A 15 55.314 -5.820 0.594 1.00 0.00 O ATOM 241 CB LEU A 15 57.060 -3.216 -0.075 1.00 0.00 C ATOM 242 CG LEU A 15 57.684 -1.923 0.462 1.00 0.00 C ATOM 243 CD1 LEU A 15 59.181 -2.128 0.685 1.00 0.00 C ATOM 244 CD2 LEU A 15 57.471 -0.795 -0.551 1.00 0.00 C ATOM 0 H LEU A 15 56.436 -4.311 2.360 1.00 0.00 H new ATOM 0 HA LEU A 15 55.037 -2.616 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 15 57.722 -4.059 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 15 56.939 -3.151 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 15 57.210 -1.660 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 15 59.621 -1.207 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 15 59.335 -2.930 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 15 59.657 -2.393 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 15 57.914 0.125 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 15 57.944 -1.061 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 15 56.403 -0.645 -0.709 1.00 0.00 H new ATOM 256 N GLU A 16 54.301 -4.611 -1.013 1.00 0.00 N ATOM 257 CA GLU A 16 53.654 -5.772 -1.615 1.00 0.00 C ATOM 258 C GLU A 16 54.380 -6.189 -2.889 1.00 0.00 C ATOM 259 O GLU A 16 54.606 -5.372 -3.783 1.00 0.00 O ATOM 260 CB GLU A 16 52.194 -5.445 -1.942 1.00 0.00 C ATOM 261 CG GLU A 16 51.426 -6.743 -2.196 1.00 0.00 C ATOM 262 CD GLU A 16 50.286 -6.489 -3.176 1.00 0.00 C ATOM 263 OE1 GLU A 16 49.312 -5.875 -2.775 1.00 0.00 O ATOM 264 OE2 GLU A 16 50.403 -6.915 -4.314 1.00 0.00 O ATOM 0 H GLU A 16 54.100 -3.724 -1.475 1.00 0.00 H new ATOM 0 HA GLU A 16 53.692 -6.596 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.739 -4.896 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 16 52.142 -4.801 -2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.099 -7.501 -2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.030 -7.131 -1.257 1.00 0.00 H new ATOM 271 N VAL A 17 54.747 -7.463 -2.964 1.00 0.00 N ATOM 272 CA VAL A 17 55.449 -7.979 -4.132 1.00 0.00 C ATOM 273 C VAL A 17 55.003 -9.406 -4.435 1.00 0.00 C ATOM 274 O VAL A 17 54.348 -10.049 -3.616 1.00 0.00 O ATOM 275 CB VAL A 17 56.958 -7.954 -3.885 1.00 0.00 C ATOM 276 CG1 VAL A 17 57.368 -6.575 -3.363 1.00 0.00 C ATOM 277 CG2 VAL A 17 57.322 -9.019 -2.846 1.00 0.00 C ATOM 0 H VAL A 17 54.571 -8.154 -2.234 1.00 0.00 H new ATOM 0 HA VAL A 17 55.211 -7.347 -4.987 1.00 0.00 H new ATOM 0 HB VAL A 17 57.482 -8.160 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 17 58.444 -6.558 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 17 57.109 -5.815 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 17 56.844 -6.369 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 17 58.397 -9.002 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 17 56.798 -8.812 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 17 57.030 -10.002 -3.215 1.00 0.00 H new ATOM 287 N GLU A 18 55.364 -9.895 -5.618 1.00 0.00 N ATOM 288 CA GLU A 18 54.993 -11.247 -6.017 1.00 0.00 C ATOM 289 C GLU A 18 56.140 -11.909 -6.784 1.00 0.00 C ATOM 290 O GLU A 18 56.987 -11.222 -7.353 1.00 0.00 O ATOM 291 CB GLU A 18 53.746 -11.202 -6.902 1.00 0.00 C ATOM 292 CG GLU A 18 52.503 -11.477 -6.053 1.00 0.00 C ATOM 293 CD GLU A 18 51.255 -11.001 -6.790 1.00 0.00 C ATOM 294 OE1 GLU A 18 51.079 -9.799 -6.898 1.00 0.00 O ATOM 295 OE2 GLU A 18 50.498 -11.845 -7.240 1.00 0.00 O ATOM 0 H GLU A 18 55.908 -9.380 -6.311 1.00 0.00 H new ATOM 0 HA GLU A 18 54.783 -11.830 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.663 -10.226 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 18 53.826 -11.942 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 18 52.426 -12.543 -5.840 1.00 0.00 H new ATOM 0 HG3 GLU A 18 52.587 -10.966 -5.094 1.00 0.00 H new ATOM 302 N PRO A 19 56.186 -13.220 -6.814 1.00 0.00 N ATOM 303 CA PRO A 19 57.254 -13.965 -7.532 1.00 0.00 C ATOM 304 C PRO A 19 57.623 -13.305 -8.859 1.00 0.00 C ATOM 305 O PRO A 19 58.799 -13.203 -9.207 1.00 0.00 O ATOM 306 CB PRO A 19 56.633 -15.341 -7.764 1.00 0.00 C ATOM 307 CG PRO A 19 55.648 -15.532 -6.655 1.00 0.00 C ATOM 308 CD PRO A 19 55.230 -14.138 -6.168 1.00 0.00 C ATOM 0 HA PRO A 19 58.184 -13.999 -6.965 1.00 0.00 H new ATOM 0 HB2 PRO A 19 56.143 -15.390 -8.736 1.00 0.00 H new ATOM 0 HB3 PRO A 19 57.394 -16.121 -7.751 1.00 0.00 H new ATOM 0 HG2 PRO A 19 54.781 -16.093 -7.004 1.00 0.00 H new ATOM 0 HG3 PRO A 19 56.092 -16.106 -5.842 1.00 0.00 H new ATOM 0 HD2 PRO A 19 54.204 -13.909 -6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 19 55.282 -14.065 -5.082 1.00 0.00 H new ATOM 316 N SER A 20 56.609 -12.862 -9.596 1.00 0.00 N ATOM 317 CA SER A 20 56.837 -12.215 -10.883 1.00 0.00 C ATOM 318 C SER A 20 57.525 -10.868 -10.696 1.00 0.00 C ATOM 319 O SER A 20 58.513 -10.566 -11.364 1.00 0.00 O ATOM 320 CB SER A 20 55.506 -12.014 -11.608 1.00 0.00 C ATOM 321 OG SER A 20 54.801 -10.937 -11.004 1.00 0.00 O ATOM 0 H SER A 20 55.628 -12.938 -9.326 1.00 0.00 H new ATOM 0 HA SER A 20 57.484 -12.858 -11.480 1.00 0.00 H new ATOM 0 HB2 SER A 20 55.681 -11.803 -12.663 1.00 0.00 H new ATOM 0 HB3 SER A 20 54.911 -12.926 -11.560 1.00 0.00 H new ATOM 0 HG SER A 20 53.948 -10.804 -11.467 1.00 0.00 H new ATOM 327 N ASP A 21 56.996 -10.060 -9.782 1.00 0.00 N ATOM 328 CA ASP A 21 57.569 -8.744 -9.517 1.00 0.00 C ATOM 329 C ASP A 21 59.030 -8.871 -9.098 1.00 0.00 C ATOM 330 O ASP A 21 59.368 -9.664 -8.220 1.00 0.00 O ATOM 331 CB ASP A 21 56.777 -8.042 -8.413 1.00 0.00 C ATOM 332 CG ASP A 21 57.173 -6.571 -8.345 1.00 0.00 C ATOM 333 OD1 ASP A 21 56.512 -5.770 -8.986 1.00 0.00 O ATOM 334 OD2 ASP A 21 58.133 -6.266 -7.657 1.00 0.00 O ATOM 0 H ASP A 21 56.179 -10.290 -9.217 1.00 0.00 H new ATOM 0 HA ASP A 21 57.516 -8.154 -10.432 1.00 0.00 H new ATOM 0 HB2 ASP A 21 55.708 -8.131 -8.607 1.00 0.00 H new ATOM 0 HB3 ASP A 21 56.968 -8.524 -7.454 1.00 0.00 H new ATOM 339 N THR A 22 59.892 -8.083 -9.733 1.00 0.00 N ATOM 340 CA THR A 22 61.315 -8.114 -9.417 1.00 0.00 C ATOM 341 C THR A 22 61.667 -7.016 -8.417 1.00 0.00 C ATOM 342 O THR A 22 60.893 -6.082 -8.209 1.00 0.00 O ATOM 343 CB THR A 22 62.137 -7.924 -10.694 1.00 0.00 C ATOM 344 OG1 THR A 22 61.697 -6.754 -11.369 1.00 0.00 O ATOM 345 CG2 THR A 22 61.955 -9.139 -11.605 1.00 0.00 C ATOM 0 H THR A 22 59.633 -7.420 -10.464 1.00 0.00 H new ATOM 0 HA THR A 22 61.548 -9.082 -8.974 1.00 0.00 H new ATOM 0 HB THR A 22 63.191 -7.820 -10.436 1.00 0.00 H new ATOM 0 HG1 THR A 22 62.426 -6.402 -11.922 1.00 0.00 H new ATOM 0 HG21 THR A 22 62.541 -9.003 -12.514 1.00 0.00 H new ATOM 0 HG22 THR A 22 62.293 -10.036 -11.087 1.00 0.00 H new ATOM 0 HG23 THR A 22 60.902 -9.245 -11.864 1.00 0.00 H new ATOM 353 N ILE A 23 62.838 -7.138 -7.801 1.00 0.00 N ATOM 354 CA ILE A 23 63.282 -6.151 -6.824 1.00 0.00 C ATOM 355 C ILE A 23 63.219 -4.745 -7.416 1.00 0.00 C ATOM 356 O ILE A 23 63.130 -3.759 -6.687 1.00 0.00 O ATOM 357 CB ILE A 23 64.715 -6.457 -6.386 1.00 0.00 C ATOM 358 CG1 ILE A 23 64.766 -7.843 -5.730 1.00 0.00 C ATOM 359 CG2 ILE A 23 65.186 -5.391 -5.393 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.488 -7.734 -4.227 1.00 0.00 C ATOM 0 H ILE A 23 63.492 -7.904 -7.959 1.00 0.00 H new ATOM 0 HA ILE A 23 62.620 -6.200 -5.960 1.00 0.00 H new ATOM 0 HB ILE A 23 65.372 -6.449 -7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 23 64.031 -8.500 -6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 23 65.745 -8.294 -5.893 1.00 0.00 H new ATOM 0 HG21 ILE A 23 66.207 -5.610 -5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.154 -4.411 -5.869 1.00 0.00 H new ATOM 0 HG23 ILE A 23 64.532 -5.392 -4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.528 -8.726 -3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 23 65.239 -7.095 -3.763 1.00 0.00 H new ATOM 0 HD13 ILE A 23 63.499 -7.304 -4.070 1.00 0.00 H new ATOM 372 N GLU A 24 63.265 -4.664 -8.742 1.00 0.00 N ATOM 373 CA GLU A 24 63.211 -3.375 -9.420 1.00 0.00 C ATOM 374 C GLU A 24 61.925 -2.636 -9.065 1.00 0.00 C ATOM 375 O GLU A 24 61.938 -1.427 -8.828 1.00 0.00 O ATOM 376 CB GLU A 24 63.286 -3.577 -10.935 1.00 0.00 C ATOM 377 CG GLU A 24 64.680 -4.075 -11.317 1.00 0.00 C ATOM 378 CD GLU A 24 64.585 -5.056 -12.481 1.00 0.00 C ATOM 379 OE1 GLU A 24 64.582 -6.249 -12.225 1.00 0.00 O ATOM 380 OE2 GLU A 24 64.511 -4.600 -13.610 1.00 0.00 O ATOM 0 H GLU A 24 63.339 -5.469 -9.364 1.00 0.00 H new ATOM 0 HA GLU A 24 64.062 -2.778 -9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 24 62.532 -4.296 -11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 24 63.070 -2.640 -11.448 1.00 0.00 H new ATOM 0 HG2 GLU A 24 65.313 -3.232 -11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.149 -4.559 -10.460 1.00 0.00 H new ATOM 387 N ASN A 25 60.818 -3.368 -9.033 1.00 0.00 N ATOM 388 CA ASN A 25 59.527 -2.771 -8.706 1.00 0.00 C ATOM 389 C ASN A 25 59.488 -2.353 -7.240 1.00 0.00 C ATOM 390 O ASN A 25 58.922 -1.314 -6.896 1.00 0.00 O ATOM 391 CB ASN A 25 58.405 -3.772 -8.985 1.00 0.00 C ATOM 392 CG ASN A 25 57.501 -3.243 -10.094 1.00 0.00 C ATOM 393 OD1 ASN A 25 56.594 -2.452 -9.833 1.00 0.00 O ATOM 394 ND2 ASN A 25 57.695 -3.635 -11.323 1.00 0.00 N ATOM 0 H ASN A 25 60.787 -4.369 -9.228 1.00 0.00 H new ATOM 0 HA ASN A 25 59.387 -1.887 -9.328 1.00 0.00 H new ATOM 0 HB2 ASN A 25 58.828 -4.734 -9.276 1.00 0.00 H new ATOM 0 HB3 ASN A 25 57.823 -3.941 -8.079 1.00 0.00 H new ATOM 0 HD21 ASN A 25 57.095 -3.286 -12.070 1.00 0.00 H new ATOM 0 HD22 ASN A 25 58.447 -4.290 -11.537 1.00 0.00 H new ATOM 401 N ALA A 26 60.089 -3.168 -6.379 1.00 0.00 N ATOM 402 CA ALA A 26 60.116 -2.872 -4.952 1.00 0.00 C ATOM 403 C ALA A 26 60.898 -1.592 -4.685 1.00 0.00 C ATOM 404 O ALA A 26 60.506 -0.774 -3.850 1.00 0.00 O ATOM 405 CB ALA A 26 60.755 -4.033 -4.189 1.00 0.00 C ATOM 0 H ALA A 26 60.561 -4.033 -6.643 1.00 0.00 H new ATOM 0 HA ALA A 26 59.090 -2.735 -4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 26 60.771 -3.803 -3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 26 60.175 -4.941 -4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 26 61.775 -4.184 -4.543 1.00 0.00 H new ATOM 411 N LYS A 27 62.007 -1.422 -5.398 1.00 0.00 N ATOM 412 CA LYS A 27 62.839 -0.236 -5.229 1.00 0.00 C ATOM 413 C LYS A 27 62.069 1.020 -5.630 1.00 0.00 C ATOM 414 O LYS A 27 62.209 2.071 -5.004 1.00 0.00 O ATOM 415 CB LYS A 27 64.101 -0.356 -6.084 1.00 0.00 C ATOM 416 CG LYS A 27 65.101 -1.286 -5.392 1.00 0.00 C ATOM 417 CD LYS A 27 66.050 -1.884 -6.432 1.00 0.00 C ATOM 418 CE LYS A 27 66.790 -0.757 -7.155 1.00 0.00 C ATOM 419 NZ LYS A 27 65.969 -0.279 -8.303 1.00 0.00 N ATOM 0 H LYS A 27 62.349 -2.085 -6.094 1.00 0.00 H new ATOM 0 HA LYS A 27 63.118 -0.159 -4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 27 63.849 -0.745 -7.070 1.00 0.00 H new ATOM 0 HB3 LYS A 27 64.546 0.628 -6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 27 65.668 -0.734 -4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 27 64.571 -2.082 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.764 -2.550 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 27 65.490 -2.484 -7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.985 0.065 -6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 27 67.758 -1.112 -7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 66.571 -0.186 -9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 65.209 -0.962 -8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 65.553 0.646 -8.071 1.00 0.00 H new ATOM 433 N ALA A 28 61.258 0.901 -6.676 1.00 0.00 N ATOM 434 CA ALA A 28 60.471 2.033 -7.151 1.00 0.00 C ATOM 435 C ALA A 28 59.437 2.443 -6.106 1.00 0.00 C ATOM 436 O ALA A 28 59.164 3.629 -5.922 1.00 0.00 O ATOM 437 CB ALA A 28 59.763 1.666 -8.456 1.00 0.00 C ATOM 0 H ALA A 28 61.129 0.040 -7.207 1.00 0.00 H new ATOM 0 HA ALA A 28 61.145 2.871 -7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 28 59.177 2.517 -8.804 1.00 0.00 H new ATOM 0 HB2 ALA A 28 60.504 1.403 -9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 28 59.102 0.816 -8.285 1.00 0.00 H new ATOM 443 N LYS A 29 58.868 1.454 -5.425 1.00 0.00 N ATOM 444 CA LYS A 29 57.866 1.723 -4.401 1.00 0.00 C ATOM 445 C LYS A 29 58.482 2.500 -3.241 1.00 0.00 C ATOM 446 O LYS A 29 57.941 3.516 -2.805 1.00 0.00 O ATOM 447 CB LYS A 29 57.280 0.407 -3.884 1.00 0.00 C ATOM 448 CG LYS A 29 56.057 0.029 -4.721 1.00 0.00 C ATOM 449 CD LYS A 29 55.580 -1.370 -4.326 1.00 0.00 C ATOM 450 CE LYS A 29 54.399 -1.775 -5.209 1.00 0.00 C ATOM 451 NZ LYS A 29 53.225 -2.104 -4.352 1.00 0.00 N ATOM 0 H LYS A 29 59.082 0.466 -5.562 1.00 0.00 H new ATOM 0 HA LYS A 29 57.072 2.323 -4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.029 -0.383 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 29 56.999 0.509 -2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 29 55.258 0.754 -4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 29 56.307 0.053 -5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 29 56.393 -2.088 -4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 29 55.284 -1.382 -3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 29 54.148 -0.964 -5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 29 54.668 -2.636 -5.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 52.422 -2.379 -4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 53.468 -2.891 -3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 52.964 -1.271 -3.786 1.00 0.00 H new ATOM 465 N ILE A 30 59.615 2.012 -2.743 1.00 0.00 N ATOM 466 CA ILE A 30 60.295 2.669 -1.634 1.00 0.00 C ATOM 467 C ILE A 30 60.711 4.083 -2.022 1.00 0.00 C ATOM 468 O ILE A 30 60.720 4.990 -1.189 1.00 0.00 O ATOM 469 CB ILE A 30 61.529 1.863 -1.229 1.00 0.00 C ATOM 470 CG1 ILE A 30 61.102 0.732 -0.293 1.00 0.00 C ATOM 471 CG2 ILE A 30 62.526 2.772 -0.504 1.00 0.00 C ATOM 472 CD1 ILE A 30 62.127 -0.398 -0.362 1.00 0.00 C ATOM 0 H ILE A 30 60.077 1.171 -3.087 1.00 0.00 H new ATOM 0 HA ILE A 30 59.606 2.726 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 30 62.002 1.449 -2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 30 61.021 1.102 0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 30 60.117 0.362 -0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 30 63.404 2.193 -0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 30 62.827 3.584 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 30 62.058 3.187 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 30 61.824 -1.205 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.186 -0.774 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 30 63.104 -0.022 -0.057 1.00 0.00 H new ATOM 484 N GLN A 31 61.062 4.261 -3.290 1.00 0.00 N ATOM 485 CA GLN A 31 61.486 5.567 -3.783 1.00 0.00 C ATOM 486 C GLN A 31 60.366 6.592 -3.645 1.00 0.00 C ATOM 487 O GLN A 31 60.600 7.727 -3.235 1.00 0.00 O ATOM 488 CB GLN A 31 61.904 5.455 -5.253 1.00 0.00 C ATOM 489 CG GLN A 31 61.793 6.823 -5.931 1.00 0.00 C ATOM 490 CD GLN A 31 62.615 6.839 -7.214 1.00 0.00 C ATOM 491 OE1 GLN A 31 63.180 7.871 -7.579 1.00 0.00 O ATOM 492 NE2 GLN A 31 62.708 5.753 -7.932 1.00 0.00 N ATOM 0 H GLN A 31 61.062 3.522 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 31 62.334 5.900 -3.185 1.00 0.00 H new ATOM 0 HB2 GLN A 31 62.928 5.087 -5.322 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.270 4.732 -5.767 1.00 0.00 H new ATOM 0 HG2 GLN A 31 60.749 7.043 -6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 31 62.144 7.602 -5.255 1.00 0.00 H new ATOM 0 HE21 GLN A 31 62.240 4.899 -7.628 1.00 0.00 H new ATOM 0 HE22 GLN A 31 63.249 5.758 -8.797 1.00 0.00 H new ATOM 501 N ASP A 32 59.151 6.191 -3.998 1.00 0.00 N ATOM 502 CA ASP A 32 58.007 7.094 -3.918 1.00 0.00 C ATOM 503 C ASP A 32 57.557 7.284 -2.471 1.00 0.00 C ATOM 504 O ASP A 32 56.796 8.202 -2.168 1.00 0.00 O ATOM 505 CB ASP A 32 56.845 6.539 -4.745 1.00 0.00 C ATOM 506 CG ASP A 32 56.766 7.270 -6.080 1.00 0.00 C ATOM 507 OD1 ASP A 32 56.646 8.483 -6.063 1.00 0.00 O ATOM 508 OD2 ASP A 32 56.831 6.606 -7.103 1.00 0.00 O ATOM 0 H ASP A 32 58.932 5.255 -4.340 1.00 0.00 H new ATOM 0 HA ASP A 32 58.312 8.062 -4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 32 56.983 5.471 -4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 32 55.909 6.657 -4.199 1.00 0.00 H new ATOM 513 N LYS A 33 58.023 6.411 -1.586 1.00 0.00 N ATOM 514 CA LYS A 33 57.646 6.499 -0.179 1.00 0.00 C ATOM 515 C LYS A 33 58.663 7.309 0.622 1.00 0.00 C ATOM 516 O LYS A 33 58.288 8.093 1.495 1.00 0.00 O ATOM 517 CB LYS A 33 57.533 5.095 0.419 1.00 0.00 C ATOM 518 CG LYS A 33 56.487 4.292 -0.356 1.00 0.00 C ATOM 519 CD LYS A 33 55.291 3.999 0.552 1.00 0.00 C ATOM 520 CE LYS A 33 54.162 3.378 -0.272 1.00 0.00 C ATOM 521 NZ LYS A 33 53.009 4.320 -0.325 1.00 0.00 N ATOM 0 H LYS A 33 58.655 5.643 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 33 56.683 7.006 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 33 58.499 4.591 0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 33 57.253 5.158 1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 33 56.162 4.850 -1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 33 56.922 3.359 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 33 55.587 3.320 1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 33 54.946 4.919 1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 33 54.512 3.158 -1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 33 53.852 2.432 0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 52.241 3.898 -0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 52.670 4.509 0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 53.310 5.212 -0.767 1.00 0.00 H new ATOM 535 N GLU A 34 59.948 7.106 0.334 1.00 0.00 N ATOM 536 CA GLU A 34 61.006 7.815 1.052 1.00 0.00 C ATOM 537 C GLU A 34 61.703 8.840 0.160 1.00 0.00 C ATOM 538 O GLU A 34 62.637 9.514 0.597 1.00 0.00 O ATOM 539 CB GLU A 34 62.038 6.813 1.575 1.00 0.00 C ATOM 540 CG GLU A 34 61.370 5.863 2.573 1.00 0.00 C ATOM 541 CD GLU A 34 60.967 6.626 3.830 1.00 0.00 C ATOM 542 OE1 GLU A 34 61.821 7.287 4.397 1.00 0.00 O ATOM 543 OE2 GLU A 34 59.807 6.545 4.203 1.00 0.00 O ATOM 0 H GLU A 34 60.280 6.463 -0.385 1.00 0.00 H new ATOM 0 HA GLU A 34 60.544 8.346 1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 34 62.463 6.246 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 34 62.862 7.341 2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 34 60.492 5.404 2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 34 62.054 5.055 2.832 1.00 0.00 H new ATOM 550 N GLY A 35 61.256 8.958 -1.085 1.00 0.00 N ATOM 551 CA GLY A 35 61.865 9.913 -2.009 1.00 0.00 C ATOM 552 C GLY A 35 63.308 9.525 -2.313 1.00 0.00 C ATOM 553 O GLY A 35 64.012 10.226 -3.041 1.00 0.00 O ATOM 0 H GLY A 35 60.486 8.415 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.290 9.948 -2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 35 61.836 10.913 -1.577 1.00 0.00 H new ATOM 557 N ILE A 36 63.740 8.403 -1.746 1.00 0.00 N ATOM 558 CA ILE A 36 65.102 7.919 -1.953 1.00 0.00 C ATOM 559 C ILE A 36 65.278 7.432 -3.400 1.00 0.00 C ATOM 560 O ILE A 36 64.430 6.696 -3.904 1.00 0.00 O ATOM 561 CB ILE A 36 65.378 6.770 -0.971 1.00 0.00 C ATOM 562 CG1 ILE A 36 66.053 7.327 0.284 1.00 0.00 C ATOM 563 CG2 ILE A 36 66.289 5.713 -1.606 1.00 0.00 C ATOM 564 CD1 ILE A 36 65.895 6.329 1.433 1.00 0.00 C ATOM 0 H ILE A 36 63.169 7.813 -1.141 1.00 0.00 H new ATOM 0 HA ILE A 36 65.808 8.730 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 36 64.428 6.301 -0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 36 67.110 7.511 0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 36 65.607 8.284 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 36 66.469 4.911 -0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 36 65.808 5.305 -2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 36 67.238 6.171 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 36 66.376 6.725 2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 36 64.835 6.168 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 36 66.361 5.382 1.159 1.00 0.00 H new ATOM 576 N PRO A 37 66.346 7.803 -4.081 1.00 0.00 N ATOM 577 CA PRO A 37 66.571 7.350 -5.486 1.00 0.00 C ATOM 578 C PRO A 37 66.935 5.862 -5.548 1.00 0.00 C ATOM 579 O PRO A 37 67.431 5.302 -4.571 1.00 0.00 O ATOM 580 CB PRO A 37 67.730 8.219 -5.975 1.00 0.00 C ATOM 581 CG PRO A 37 68.462 8.638 -4.745 1.00 0.00 C ATOM 582 CD PRO A 37 67.438 8.679 -3.613 1.00 0.00 C ATOM 0 HA PRO A 37 65.677 7.455 -6.101 1.00 0.00 H new ATOM 0 HB2 PRO A 37 68.381 7.662 -6.648 1.00 0.00 H new ATOM 0 HB3 PRO A 37 67.365 9.084 -6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 37 69.264 7.937 -4.515 1.00 0.00 H new ATOM 0 HG3 PRO A 37 68.923 9.616 -4.884 1.00 0.00 H new ATOM 0 HD2 PRO A 37 67.864 8.318 -2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 37 67.085 9.694 -3.432 1.00 0.00 H new ATOM 590 N PRO A 38 66.702 5.212 -6.665 1.00 0.00 N ATOM 591 CA PRO A 38 67.017 3.761 -6.829 1.00 0.00 C ATOM 592 C PRO A 38 68.512 3.501 -7.012 1.00 0.00 C ATOM 593 O PRO A 38 68.998 2.400 -6.752 1.00 0.00 O ATOM 594 CB PRO A 38 66.252 3.374 -8.092 1.00 0.00 C ATOM 595 CG PRO A 38 66.176 4.626 -8.897 1.00 0.00 C ATOM 596 CD PRO A 38 66.114 5.779 -7.894 1.00 0.00 C ATOM 0 HA PRO A 38 66.737 3.184 -5.947 1.00 0.00 H new ATOM 0 HB2 PRO A 38 66.767 2.584 -8.639 1.00 0.00 H new ATOM 0 HB3 PRO A 38 65.257 2.999 -7.851 1.00 0.00 H new ATOM 0 HG2 PRO A 38 67.045 4.723 -9.548 1.00 0.00 H new ATOM 0 HG3 PRO A 38 65.296 4.622 -9.540 1.00 0.00 H new ATOM 0 HD2 PRO A 38 66.677 6.644 -8.244 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.089 6.111 -7.730 1.00 0.00 H new ATOM 604 N ASP A 39 69.228 4.516 -7.479 1.00 0.00 N ATOM 605 CA ASP A 39 70.663 4.387 -7.718 1.00 0.00 C ATOM 606 C ASP A 39 71.431 4.143 -6.420 1.00 0.00 C ATOM 607 O ASP A 39 72.488 3.512 -6.434 1.00 0.00 O ATOM 608 CB ASP A 39 71.191 5.656 -8.389 1.00 0.00 C ATOM 609 CG ASP A 39 72.479 5.348 -9.144 1.00 0.00 C ATOM 610 OD1 ASP A 39 72.623 5.834 -10.254 1.00 0.00 O ATOM 611 OD2 ASP A 39 73.304 4.633 -8.601 1.00 0.00 O ATOM 0 H ASP A 39 68.842 5.434 -7.699 1.00 0.00 H new ATOM 0 HA ASP A 39 70.816 3.527 -8.370 1.00 0.00 H new ATOM 0 HB2 ASP A 39 70.443 6.053 -9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 39 71.374 6.425 -7.639 1.00 0.00 H new ATOM 616 N GLN A 40 70.907 4.653 -5.307 1.00 0.00 N ATOM 617 CA GLN A 40 71.576 4.488 -4.016 1.00 0.00 C ATOM 618 C GLN A 40 70.826 3.501 -3.123 1.00 0.00 C ATOM 619 O GLN A 40 71.054 3.449 -1.914 1.00 0.00 O ATOM 620 CB GLN A 40 71.683 5.845 -3.309 1.00 0.00 C ATOM 621 CG GLN A 40 73.058 6.460 -3.576 1.00 0.00 C ATOM 622 CD GLN A 40 74.139 5.665 -2.852 1.00 0.00 C ATOM 623 OE1 GLN A 40 73.832 4.724 -2.121 1.00 0.00 O ATOM 624 NE2 GLN A 40 75.393 5.985 -3.016 1.00 0.00 N ATOM 0 H GLN A 40 70.033 5.177 -5.271 1.00 0.00 H new ATOM 0 HA GLN A 40 72.573 4.089 -4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 40 70.900 6.514 -3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 40 71.532 5.720 -2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 40 73.259 6.469 -4.647 1.00 0.00 H new ATOM 0 HG3 GLN A 40 73.072 7.497 -3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 40 75.645 6.765 -3.622 1.00 0.00 H new ATOM 0 HE22 GLN A 40 76.121 5.455 -2.538 1.00 0.00 H new ATOM 633 N GLN A 41 69.940 2.711 -3.719 1.00 0.00 N ATOM 634 CA GLN A 41 69.178 1.730 -2.953 1.00 0.00 C ATOM 635 C GLN A 41 69.914 0.395 -2.907 1.00 0.00 C ATOM 636 O GLN A 41 70.339 -0.127 -3.937 1.00 0.00 O ATOM 637 CB GLN A 41 67.799 1.524 -3.585 1.00 0.00 C ATOM 638 CG GLN A 41 66.778 2.469 -2.941 1.00 0.00 C ATOM 639 CD GLN A 41 66.179 1.838 -1.684 1.00 0.00 C ATOM 640 OE1 GLN A 41 66.198 0.617 -1.526 1.00 0.00 O ATOM 641 NE2 GLN A 41 65.646 2.608 -0.775 1.00 0.00 N ATOM 0 H GLN A 41 69.733 2.729 -4.718 1.00 0.00 H new ATOM 0 HA GLN A 41 69.062 2.108 -1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 41 67.851 1.709 -4.658 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.481 0.489 -3.455 1.00 0.00 H new ATOM 0 HG2 GLN A 41 67.259 3.414 -2.687 1.00 0.00 H new ATOM 0 HG3 GLN A 41 65.985 2.697 -3.653 1.00 0.00 H new ATOM 0 HE21 GLN A 41 65.631 3.619 -0.908 1.00 0.00 H new ATOM 0 HE22 GLN A 41 65.244 2.199 0.068 1.00 0.00 H new ATOM 650 N ARG A 42 70.052 -0.153 -1.704 1.00 0.00 N ATOM 651 CA ARG A 42 70.732 -1.432 -1.528 1.00 0.00 C ATOM 652 C ARG A 42 69.926 -2.336 -0.601 1.00 0.00 C ATOM 653 O ARG A 42 69.936 -2.159 0.617 1.00 0.00 O ATOM 654 CB ARG A 42 72.123 -1.205 -0.940 1.00 0.00 C ATOM 655 CG ARG A 42 73.162 -1.934 -1.793 1.00 0.00 C ATOM 656 CD ARG A 42 74.516 -1.890 -1.088 1.00 0.00 C ATOM 657 NE ARG A 42 75.543 -2.504 -1.921 1.00 0.00 N ATOM 658 CZ ARG A 42 76.829 -2.215 -1.752 1.00 0.00 C ATOM 659 NH1 ARG A 42 77.729 -2.779 -2.509 1.00 0.00 N ATOM 660 NH2 ARG A 42 77.190 -1.362 -0.832 1.00 0.00 N ATOM 0 H ARG A 42 69.704 0.265 -0.841 1.00 0.00 H new ATOM 0 HA ARG A 42 70.825 -1.914 -2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 42 72.346 -0.139 -0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 42 72.159 -1.569 0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 42 72.856 -2.968 -1.954 1.00 0.00 H new ATOM 0 HG3 ARG A 42 73.235 -1.467 -2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 42 74.786 -0.857 -0.869 1.00 0.00 H new ATOM 0 HD3 ARG A 42 74.453 -2.412 -0.133 1.00 0.00 H new ATOM 0 HE ARG A 42 75.270 -3.167 -2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 42 77.446 -3.442 -3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 42 78.716 -2.557 -2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 42 76.485 -0.918 -0.243 1.00 0.00 H new ATOM 0 HH22 ARG A 42 78.177 -1.140 -0.702 1.00 0.00 H new ATOM 674 N LEU A 43 69.222 -3.301 -1.184 1.00 0.00 N ATOM 675 CA LEU A 43 68.410 -4.222 -0.396 1.00 0.00 C ATOM 676 C LEU A 43 69.193 -5.492 -0.076 1.00 0.00 C ATOM 677 O LEU A 43 69.577 -6.238 -0.976 1.00 0.00 O ATOM 678 CB LEU A 43 67.137 -4.583 -1.161 1.00 0.00 C ATOM 679 CG LEU A 43 66.149 -3.417 -1.085 1.00 0.00 C ATOM 680 CD1 LEU A 43 65.295 -3.389 -2.354 1.00 0.00 C ATOM 681 CD2 LEU A 43 65.241 -3.597 0.134 1.00 0.00 C ATOM 0 H LEU A 43 69.197 -3.465 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 43 68.143 -3.730 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 43 67.375 -4.805 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.688 -5.482 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 43 66.699 -2.480 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 43 64.591 -2.559 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 43 65.940 -3.263 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 43 64.745 -4.326 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 43 64.537 -2.767 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 43 64.691 -4.534 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 43 65.848 -3.619 1.039 1.00 0.00 H new ATOM 693 N ILE A 44 69.419 -5.728 1.214 1.00 0.00 N ATOM 694 CA ILE A 44 70.156 -6.910 1.655 1.00 0.00 C ATOM 695 C ILE A 44 69.250 -7.818 2.481 1.00 0.00 C ATOM 696 O ILE A 44 68.411 -7.344 3.248 1.00 0.00 O ATOM 697 CB ILE A 44 71.368 -6.487 2.495 1.00 0.00 C ATOM 698 CG1 ILE A 44 72.546 -6.157 1.573 1.00 0.00 C ATOM 699 CG2 ILE A 44 71.771 -7.628 3.434 1.00 0.00 C ATOM 700 CD1 ILE A 44 72.171 -5.000 0.644 1.00 0.00 C ATOM 0 H ILE A 44 69.104 -5.120 1.970 1.00 0.00 H new ATOM 0 HA ILE A 44 70.500 -7.456 0.777 1.00 0.00 H new ATOM 0 HB ILE A 44 71.103 -5.607 3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 44 73.420 -5.890 2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 44 72.816 -7.034 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 44 72.632 -7.323 4.029 1.00 0.00 H new ATOM 0 HG22 ILE A 44 70.939 -7.865 4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 44 72.030 -8.509 2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 44 73.013 -4.770 -0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 44 71.310 -5.283 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 44 71.923 -4.121 1.239 1.00 0.00 H new ATOM 712 N PHE A 45 69.426 -9.125 2.320 1.00 0.00 N ATOM 713 CA PHE A 45 68.623 -10.094 3.057 1.00 0.00 C ATOM 714 C PHE A 45 69.507 -11.220 3.587 1.00 0.00 C ATOM 715 O PHE A 45 70.677 -11.323 3.220 1.00 0.00 O ATOM 716 CB PHE A 45 67.534 -10.668 2.144 1.00 0.00 C ATOM 717 CG PHE A 45 66.849 -11.825 2.833 1.00 0.00 C ATOM 718 CD1 PHE A 45 67.035 -13.130 2.363 1.00 0.00 C ATOM 719 CD2 PHE A 45 66.030 -11.591 3.943 1.00 0.00 C ATOM 720 CE1 PHE A 45 66.400 -14.202 3.002 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.395 -12.662 4.584 1.00 0.00 C ATOM 722 CZ PHE A 45 65.580 -13.968 4.112 1.00 0.00 C ATOM 0 H PHE A 45 70.114 -9.536 1.689 1.00 0.00 H new ATOM 0 HA PHE A 45 68.153 -9.592 3.903 1.00 0.00 H new ATOM 0 HB2 PHE A 45 66.806 -9.895 1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 45 67.973 -11.001 1.203 1.00 0.00 H new ATOM 0 HD1 PHE A 45 67.669 -13.310 1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 45 65.887 -10.584 4.306 1.00 0.00 H new ATOM 0 HE1 PHE A 45 66.543 -15.209 2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 45 64.763 -12.481 5.441 1.00 0.00 H new ATOM 0 HZ PHE A 45 65.090 -14.795 4.605 1.00 0.00 H new ATOM 879 N LEU A 56 67.887 -11.607 -5.221 1.00 0.00 N ATOM 880 CA LEU A 56 67.178 -11.993 -4.007 1.00 0.00 C ATOM 881 C LEU A 56 65.937 -12.812 -4.345 1.00 0.00 C ATOM 882 O LEU A 56 65.567 -13.727 -3.610 1.00 0.00 O ATOM 883 CB LEU A 56 66.770 -10.744 -3.219 1.00 0.00 C ATOM 884 CG LEU A 56 67.998 -9.864 -2.969 1.00 0.00 C ATOM 885 CD1 LEU A 56 67.576 -8.611 -2.201 1.00 0.00 C ATOM 886 CD2 LEU A 56 69.028 -10.642 -2.145 1.00 0.00 C ATOM 0 HA LEU A 56 67.846 -12.604 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.016 -10.184 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 56 66.319 -11.033 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 56 68.439 -9.577 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 56 68.449 -7.983 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 56 66.843 -8.055 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 56 67.135 -8.900 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 56 69.901 -10.014 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 56 68.588 -10.929 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 56 69.329 -11.537 -2.690 1.00 0.00 H new ATOM 898 N SER A 57 65.298 -12.472 -5.459 1.00 0.00 N ATOM 899 CA SER A 57 64.094 -13.180 -5.884 1.00 0.00 C ATOM 900 C SER A 57 64.405 -14.640 -6.198 1.00 0.00 C ATOM 901 O SER A 57 63.557 -15.515 -6.022 1.00 0.00 O ATOM 902 CB SER A 57 63.506 -12.506 -7.125 1.00 0.00 C ATOM 903 OG SER A 57 63.707 -11.102 -7.037 1.00 0.00 O ATOM 0 H SER A 57 65.590 -11.717 -6.080 1.00 0.00 H new ATOM 0 HA SER A 57 63.371 -13.145 -5.069 1.00 0.00 H new ATOM 0 HB2 SER A 57 63.981 -12.897 -8.025 1.00 0.00 H new ATOM 0 HB3 SER A 57 62.442 -12.728 -7.204 1.00 0.00 H new ATOM 0 HG SER A 57 63.333 -10.668 -7.832 1.00 0.00 H new ATOM 909 N ASP A 58 65.623 -14.898 -6.662 1.00 0.00 N ATOM 910 CA ASP A 58 66.029 -16.259 -6.995 1.00 0.00 C ATOM 911 C ASP A 58 65.958 -17.157 -5.764 1.00 0.00 C ATOM 912 O ASP A 58 65.959 -18.382 -5.877 1.00 0.00 O ATOM 913 CB ASP A 58 67.455 -16.260 -7.549 1.00 0.00 C ATOM 914 CG ASP A 58 67.427 -16.449 -9.062 1.00 0.00 C ATOM 915 OD1 ASP A 58 68.182 -17.274 -9.549 1.00 0.00 O ATOM 916 OD2 ASP A 58 66.652 -15.768 -9.711 1.00 0.00 O ATOM 0 H ASP A 58 66.341 -14.190 -6.815 1.00 0.00 H new ATOM 0 HA ASP A 58 65.346 -16.645 -7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 58 67.951 -15.322 -7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.034 -17.059 -7.085 1.00 0.00 H new ATOM 921 N TYR A 59 65.900 -16.539 -4.588 1.00 0.00 N ATOM 922 CA TYR A 59 65.827 -17.292 -3.343 1.00 0.00 C ATOM 923 C TYR A 59 64.376 -17.559 -2.961 1.00 0.00 C ATOM 924 O TYR A 59 64.097 -18.187 -1.940 1.00 0.00 O ATOM 925 CB TYR A 59 66.514 -16.512 -2.222 1.00 0.00 C ATOM 926 CG TYR A 59 67.168 -17.479 -1.263 1.00 0.00 C ATOM 927 CD1 TYR A 59 68.316 -18.179 -1.653 1.00 0.00 C ATOM 928 CD2 TYR A 59 66.628 -17.677 0.012 1.00 0.00 C ATOM 929 CE1 TYR A 59 68.924 -19.076 -0.767 1.00 0.00 C ATOM 930 CE2 TYR A 59 67.236 -18.574 0.899 1.00 0.00 C ATOM 931 CZ TYR A 59 68.384 -19.273 0.509 1.00 0.00 C ATOM 932 OH TYR A 59 68.983 -20.157 1.383 1.00 0.00 O ATOM 0 H TYR A 59 65.902 -15.526 -4.472 1.00 0.00 H new ATOM 0 HA TYR A 59 66.334 -18.246 -3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 59 67.261 -15.836 -2.639 1.00 0.00 H new ATOM 0 HB3 TYR A 59 65.786 -15.896 -1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 59 68.733 -18.027 -2.638 1.00 0.00 H new ATOM 0 HD2 TYR A 59 65.742 -17.138 0.313 1.00 0.00 H new ATOM 0 HE1 TYR A 59 69.810 -19.616 -1.068 1.00 0.00 H new ATOM 0 HE2 TYR A 59 66.819 -18.726 1.884 1.00 0.00 H new ATOM 0 HH TYR A 59 68.482 -20.174 2.225 1.00 0.00 H new ATOM 942 N ASN A 60 63.454 -17.074 -3.786 1.00 0.00 N ATOM 943 CA ASN A 60 62.033 -17.264 -3.523 1.00 0.00 C ATOM 944 C ASN A 60 61.653 -16.641 -2.184 1.00 0.00 C ATOM 945 O ASN A 60 60.986 -17.271 -1.362 1.00 0.00 O ATOM 946 CB ASN A 60 61.700 -18.758 -3.508 1.00 0.00 C ATOM 947 CG ASN A 60 60.228 -18.967 -3.843 1.00 0.00 C ATOM 948 OD1 ASN A 60 59.881 -19.204 -5.000 1.00 0.00 O ATOM 949 ND2 ASN A 60 59.335 -18.895 -2.893 1.00 0.00 N ATOM 0 H ASN A 60 63.663 -16.550 -4.636 1.00 0.00 H new ATOM 0 HA ASN A 60 61.465 -16.775 -4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 60 62.324 -19.285 -4.229 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.922 -19.179 -2.527 1.00 0.00 H new ATOM 0 HD21 ASN A 60 58.348 -19.035 -3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 60 59.624 -18.699 -1.935 1.00 0.00 H new ATOM 956 N ILE A 61 62.082 -15.401 -1.973 1.00 0.00 N ATOM 957 CA ILE A 61 61.784 -14.699 -0.730 1.00 0.00 C ATOM 958 C ILE A 61 60.346 -14.964 -0.295 1.00 0.00 C ATOM 959 O ILE A 61 59.432 -14.979 -1.119 1.00 0.00 O ATOM 960 CB ILE A 61 61.996 -13.195 -0.917 1.00 0.00 C ATOM 961 CG1 ILE A 61 63.501 -12.897 -0.992 1.00 0.00 C ATOM 962 CG2 ILE A 61 61.363 -12.433 0.250 1.00 0.00 C ATOM 963 CD1 ILE A 61 64.055 -12.635 0.408 1.00 0.00 C ATOM 0 H ILE A 61 62.634 -14.864 -2.642 1.00 0.00 H new ATOM 0 HA ILE A 61 62.457 -15.067 0.044 1.00 0.00 H new ATOM 0 HB ILE A 61 61.522 -12.872 -1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 61 64.024 -13.738 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.677 -12.030 -1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.517 -11.363 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 61 60.294 -12.644 0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 61 61.827 -12.749 1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 61 65.123 -12.425 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 61 63.543 -11.779 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.895 -13.514 1.033 1.00 0.00 H new ATOM 975 N GLN A 62 60.155 -15.171 1.003 1.00 0.00 N ATOM 976 CA GLN A 62 58.824 -15.433 1.537 1.00 0.00 C ATOM 977 C GLN A 62 58.206 -14.154 2.090 1.00 0.00 C ATOM 978 O GLN A 62 58.837 -13.096 2.085 1.00 0.00 O ATOM 979 CB GLN A 62 58.905 -16.485 2.646 1.00 0.00 C ATOM 980 CG GLN A 62 59.316 -17.831 2.045 1.00 0.00 C ATOM 981 CD GLN A 62 60.464 -18.432 2.848 1.00 0.00 C ATOM 982 OE1 GLN A 62 61.459 -17.757 3.112 1.00 0.00 O ATOM 983 NE2 GLN A 62 60.386 -19.669 3.254 1.00 0.00 N ATOM 0 H GLN A 62 60.899 -15.163 1.701 1.00 0.00 H new ATOM 0 HA GLN A 62 58.195 -15.805 0.728 1.00 0.00 H new ATOM 0 HB2 GLN A 62 59.627 -16.177 3.402 1.00 0.00 H new ATOM 0 HB3 GLN A 62 57.941 -16.577 3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 62 58.466 -18.513 2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 62 59.619 -17.698 1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 62 59.561 -20.227 3.034 1.00 0.00 H new ATOM 0 HE22 GLN A 62 61.150 -20.079 3.791 1.00 0.00 H new ATOM 992 N LYS A 63 56.970 -14.256 2.565 1.00 0.00 N ATOM 993 CA LYS A 63 56.277 -13.099 3.117 1.00 0.00 C ATOM 994 C LYS A 63 56.674 -12.878 4.573 1.00 0.00 C ATOM 995 O LYS A 63 57.306 -13.735 5.190 1.00 0.00 O ATOM 996 CB LYS A 63 54.763 -13.304 3.024 1.00 0.00 C ATOM 997 CG LYS A 63 54.379 -14.606 3.731 1.00 0.00 C ATOM 998 CD LYS A 63 53.606 -15.503 2.763 1.00 0.00 C ATOM 999 CE LYS A 63 53.213 -16.800 3.473 1.00 0.00 C ATOM 1000 NZ LYS A 63 53.575 -17.965 2.615 1.00 0.00 N ATOM 0 H LYS A 63 56.431 -15.122 2.579 1.00 0.00 H new ATOM 0 HA LYS A 63 56.561 -12.220 2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.243 -12.462 3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 63 54.454 -13.340 1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 63 55.274 -15.119 4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 63 53.770 -14.390 4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 63 52.715 -14.987 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 63 54.218 -15.725 1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 63 53.723 -16.870 4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 63 52.143 -16.805 3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 53.308 -18.847 3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 53.069 -17.899 1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 54.600 -17.962 2.440 1.00 0.00 H new ATOM 1014 N GLU A 64 56.296 -11.724 5.115 1.00 0.00 N ATOM 1015 CA GLU A 64 56.617 -11.400 6.501 1.00 0.00 C ATOM 1016 C GLU A 64 58.118 -11.519 6.748 1.00 0.00 C ATOM 1017 O GLU A 64 58.550 -11.833 7.858 1.00 0.00 O ATOM 1018 CB GLU A 64 55.866 -12.342 7.445 1.00 0.00 C ATOM 1019 CG GLU A 64 54.373 -12.015 7.413 1.00 0.00 C ATOM 1020 CD GLU A 64 53.613 -12.970 8.329 1.00 0.00 C ATOM 1021 OE1 GLU A 64 54.218 -13.922 8.792 1.00 0.00 O ATOM 1022 OE2 GLU A 64 52.437 -12.733 8.555 1.00 0.00 O ATOM 0 H GLU A 64 55.771 -11.003 4.620 1.00 0.00 H new ATOM 0 HA GLU A 64 56.310 -10.372 6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 64 56.028 -13.378 7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 64 56.250 -12.238 8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 64 54.210 -10.985 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 64 53.996 -12.097 6.394 1.00 0.00 H new ATOM 1029 N SER A 65 58.907 -11.264 5.710 1.00 0.00 N ATOM 1030 CA SER A 65 60.358 -11.344 5.828 1.00 0.00 C ATOM 1031 C SER A 65 60.950 -9.965 6.102 1.00 0.00 C ATOM 1032 O SER A 65 60.540 -8.972 5.498 1.00 0.00 O ATOM 1033 CB SER A 65 60.956 -11.912 4.543 1.00 0.00 C ATOM 1034 OG SER A 65 61.447 -13.223 4.792 1.00 0.00 O ATOM 0 H SER A 65 58.569 -11.002 4.784 1.00 0.00 H new ATOM 0 HA SER A 65 60.600 -12.003 6.662 1.00 0.00 H new ATOM 0 HB2 SER A 65 60.201 -11.937 3.757 1.00 0.00 H new ATOM 0 HB3 SER A 65 61.763 -11.270 4.189 1.00 0.00 H new ATOM 0 HG SER A 65 61.830 -13.591 3.968 1.00 0.00 H new ATOM 1040 N THR A 66 61.915 -9.910 7.014 1.00 0.00 N ATOM 1041 CA THR A 66 62.556 -8.646 7.358 1.00 0.00 C ATOM 1042 C THR A 66 63.719 -8.359 6.414 1.00 0.00 C ATOM 1043 O THR A 66 64.741 -9.047 6.443 1.00 0.00 O ATOM 1044 CB THR A 66 63.068 -8.695 8.800 1.00 0.00 C ATOM 1045 OG1 THR A 66 62.164 -9.451 9.594 1.00 0.00 O ATOM 1046 CG2 THR A 66 63.172 -7.274 9.355 1.00 0.00 C ATOM 0 H THR A 66 62.268 -10.719 7.525 1.00 0.00 H new ATOM 0 HA THR A 66 61.819 -7.849 7.260 1.00 0.00 H new ATOM 0 HB THR A 66 64.052 -9.163 8.822 1.00 0.00 H new ATOM 0 HG1 THR A 66 62.490 -9.486 10.518 1.00 0.00 H new ATOM 0 HG21 THR A 66 63.537 -7.310 10.382 1.00 0.00 H new ATOM 0 HG22 THR A 66 63.864 -6.695 8.744 1.00 0.00 H new ATOM 0 HG23 THR A 66 62.189 -6.803 9.335 1.00 0.00 H new ATOM 1054 N LEU A 67 63.556 -7.341 5.576 1.00 0.00 N ATOM 1055 CA LEU A 67 64.593 -6.968 4.623 1.00 0.00 C ATOM 1056 C LEU A 67 65.460 -5.845 5.188 1.00 0.00 C ATOM 1057 O LEU A 67 64.961 -4.937 5.851 1.00 0.00 O ATOM 1058 CB LEU A 67 63.948 -6.508 3.315 1.00 0.00 C ATOM 1059 CG LEU A 67 64.047 -7.625 2.275 1.00 0.00 C ATOM 1060 CD1 LEU A 67 63.381 -8.891 2.816 1.00 0.00 C ATOM 1061 CD2 LEU A 67 63.342 -7.188 0.989 1.00 0.00 C ATOM 0 H LEU A 67 62.718 -6.761 5.538 1.00 0.00 H new ATOM 0 HA LEU A 67 65.223 -7.837 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 67 62.904 -6.247 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 67 64.446 -5.610 2.948 1.00 0.00 H new ATOM 0 HG LEU A 67 65.096 -7.830 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 67 63.453 -9.686 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 67 63.883 -9.204 3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 67 62.332 -8.687 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 67 63.412 -7.984 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 67 62.293 -6.981 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 67 63.818 -6.287 0.601 1.00 0.00 H new ATOM 1073 N HIS A 68 66.759 -5.913 4.918 1.00 0.00 N ATOM 1074 CA HIS A 68 67.684 -4.895 5.400 1.00 0.00 C ATOM 1075 C HIS A 68 67.975 -3.877 4.303 1.00 0.00 C ATOM 1076 O HIS A 68 68.662 -4.181 3.328 1.00 0.00 O ATOM 1077 CB HIS A 68 68.991 -5.548 5.854 1.00 0.00 C ATOM 1078 CG HIS A 68 68.728 -6.418 7.052 1.00 0.00 C ATOM 1079 ND1 HIS A 68 68.033 -7.613 6.960 1.00 0.00 N ATOM 1080 CD2 HIS A 68 69.062 -6.280 8.377 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.969 -8.143 8.196 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.581 -7.370 9.098 1.00 0.00 N ATOM 0 H HIS A 68 67.193 -6.657 4.372 1.00 0.00 H new ATOM 0 HA HIS A 68 67.224 -4.382 6.245 1.00 0.00 H new ATOM 0 HB2 HIS A 68 69.413 -6.144 5.044 1.00 0.00 H new ATOM 0 HB3 HIS A 68 69.726 -4.782 6.102 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.614 -5.452 8.796 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.483 -9.078 8.430 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.675 -7.541 10.099 1.00 0.00 H new ATOM 1090 N LEU A 69 67.445 -2.669 4.465 1.00 0.00 N ATOM 1091 CA LEU A 69 67.652 -1.616 3.478 1.00 0.00 C ATOM 1092 C LEU A 69 68.884 -0.789 3.828 1.00 0.00 C ATOM 1093 O LEU A 69 68.875 -0.020 4.790 1.00 0.00 O ATOM 1094 CB LEU A 69 66.416 -0.708 3.418 1.00 0.00 C ATOM 1095 CG LEU A 69 66.705 0.542 2.573 1.00 0.00 C ATOM 1096 CD1 LEU A 69 67.328 0.140 1.232 1.00 0.00 C ATOM 1097 CD2 LEU A 69 65.394 1.286 2.314 1.00 0.00 C ATOM 0 H LEU A 69 66.873 -2.396 5.264 1.00 0.00 H new ATOM 0 HA LEU A 69 67.808 -2.079 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 69 65.576 -1.256 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.125 -0.413 4.426 1.00 0.00 H new ATOM 0 HG LEU A 69 67.401 1.185 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 69 67.529 1.034 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 69 68.261 -0.394 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 69 66.638 -0.506 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 69 65.592 2.175 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 69 64.705 0.633 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 69 64.949 1.581 3.264 1.00 0.00 H new ATOM 1109 N VAL A 70 69.937 -0.947 3.030 1.00 0.00 N ATOM 1110 CA VAL A 70 71.173 -0.204 3.247 1.00 0.00 C ATOM 1111 C VAL A 70 71.391 0.790 2.113 1.00 0.00 C ATOM 1112 O VAL A 70 71.090 0.498 0.956 1.00 0.00 O ATOM 1113 CB VAL A 70 72.357 -1.166 3.324 1.00 0.00 C ATOM 1114 CG1 VAL A 70 73.489 -0.522 4.126 1.00 0.00 C ATOM 1115 CG2 VAL A 70 71.919 -2.459 4.015 1.00 0.00 C ATOM 0 H VAL A 70 69.958 -1.580 2.231 1.00 0.00 H new ATOM 0 HA VAL A 70 71.094 0.340 4.188 1.00 0.00 H new ATOM 0 HB VAL A 70 72.707 -1.390 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 70 74.333 -1.209 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 70 73.803 0.400 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 70 73.139 -0.297 5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 70 72.763 -3.146 4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 70 71.569 -2.233 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 70 71.112 -2.921 3.446 1.00 0.00 H new ATOM 1125 N LEU A 71 71.909 1.965 2.455 1.00 0.00 N ATOM 1126 CA LEU A 71 72.159 3.006 1.462 1.00 0.00 C ATOM 1127 C LEU A 71 73.645 3.350 1.420 1.00 0.00 C ATOM 1128 O LEU A 71 74.209 3.825 2.404 1.00 0.00 O ATOM 1129 CB LEU A 71 71.357 4.263 1.808 1.00 0.00 C ATOM 1130 CG LEU A 71 69.870 3.914 1.924 1.00 0.00 C ATOM 1131 CD1 LEU A 71 69.300 4.525 3.205 1.00 0.00 C ATOM 1132 CD2 LEU A 71 69.119 4.477 0.716 1.00 0.00 C ATOM 0 H LEU A 71 72.164 2.221 3.409 1.00 0.00 H new ATOM 0 HA LEU A 71 71.849 2.635 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 71 71.715 4.687 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 71 71.503 5.022 1.039 1.00 0.00 H new ATOM 0 HG LEU A 71 69.753 2.831 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 71 68.242 4.276 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 71 69.834 4.126 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 71 69.417 5.608 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 71 68.061 4.229 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 71 69.237 5.560 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.524 4.043 -0.198 1.00 0.00 H new ATOM 1144 N ARG A 72 74.275 3.105 0.275 1.00 0.00 N ATOM 1145 CA ARG A 72 75.695 3.393 0.123 1.00 0.00 C ATOM 1146 C ARG A 72 75.944 4.897 0.154 1.00 0.00 C ATOM 1147 O ARG A 72 75.213 5.671 -0.461 1.00 0.00 O ATOM 1148 CB ARG A 72 76.206 2.816 -1.200 1.00 0.00 C ATOM 1149 CG ARG A 72 77.719 3.016 -1.297 1.00 0.00 C ATOM 1150 CD ARG A 72 78.278 2.135 -2.415 1.00 0.00 C ATOM 1151 NE ARG A 72 79.721 2.314 -2.530 1.00 0.00 N ATOM 1152 CZ ARG A 72 80.457 1.503 -3.281 1.00 0.00 C ATOM 1153 NH1 ARG A 72 81.746 1.683 -3.367 1.00 0.00 N ATOM 1154 NH2 ARG A 72 79.890 0.524 -3.933 1.00 0.00 N ATOM 0 H ARG A 72 73.829 2.711 -0.553 1.00 0.00 H new ATOM 0 HA ARG A 72 76.231 2.931 0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 72 75.965 1.755 -1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 72 75.710 3.306 -2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 72 77.946 4.063 -1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 72 78.192 2.762 -0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 72 78.050 1.089 -2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 72 77.797 2.387 -3.360 1.00 0.00 H new ATOM 0 HE ARG A 72 80.173 3.076 -2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 72 82.189 2.447 -2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 72 82.311 1.060 -3.944 1.00 0.00 H new ATOM 0 HH21 ARG A 72 78.882 0.382 -3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 72 80.455 -0.099 -4.510 1.00 0.00 H new