USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 358 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 Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.224) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0686) USER MOD Single : A 9 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 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0108) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.127 -5.963 15.383 1.00 51.40 N ATOM 2 CA LYS A 1 -12.062 -5.776 14.405 1.00 13.25 C ATOM 3 C LYS A 1 -12.394 -4.634 13.450 1.00 73.22 C ATOM 4 O LYS A 1 -13.093 -4.828 12.455 1.00 60.02 O ATOM 5 CB LYS A 1 -11.834 -7.066 13.615 1.00 73.43 C ATOM 6 CG LYS A 1 -10.539 -7.776 13.968 1.00 34.41 C ATOM 7 CD LYS A 1 -10.677 -9.284 13.844 1.00 54.30 C ATOM 8 CE LYS A 1 -9.329 -9.978 13.952 1.00 74.12 C ATOM 9 NZ LYS A 1 -9.380 -11.374 13.435 1.00 60.33 N ATOM 0 H1 LYS A 1 -12.878 -6.745 16.022 1.00 51.40 H new ATOM 0 H2 LYS A 1 -13.248 -5.090 15.935 1.00 51.40 H new ATOM 0 H3 LYS A 1 -14.015 -6.187 14.891 1.00 51.40 H new ATOM 0 HA LYS A 1 -11.149 -5.522 14.944 1.00 13.25 H new ATOM 0 HB2 LYS A 1 -12.670 -7.743 13.793 1.00 73.43 H new ATOM 0 HB3 LYS A 1 -11.832 -6.834 12.550 1.00 73.43 H new ATOM 0 HG2 LYS A 1 -9.742 -7.428 13.311 1.00 34.41 H new ATOM 0 HG3 LYS A 1 -10.248 -7.519 14.987 1.00 34.41 H new ATOM 0 HD2 LYS A 1 -11.342 -9.655 14.624 1.00 54.30 H new ATOM 0 HD3 LYS A 1 -11.139 -9.531 12.888 1.00 54.30 H new ATOM 0 HE2 LYS A 1 -8.583 -9.411 13.394 1.00 74.12 H new ATOM 0 HE3 LYS A 1 -9.008 -9.988 14.994 1.00 74.12 H new ATOM 0 HZ1 LYS A 1 -8.414 -11.707 13.239 1.00 60.33 H new ATOM 0 HZ2 LYS A 1 -9.822 -11.991 14.146 1.00 60.33 H new ATOM 0 HZ3 LYS A 1 -9.939 -11.399 12.558 1.00 60.33 H new ATOM 23 N ARG A 2 -11.888 -3.445 13.758 1.00 12.24 N ATOM 24 CA ARG A 2 -12.132 -2.272 12.926 1.00 20.44 C ATOM 25 C ARG A 2 -10.888 -1.909 12.122 1.00 4.42 C ATOM 26 O ARG A 2 -10.981 -1.518 10.957 1.00 62.11 O ATOM 27 CB ARG A 2 -12.558 -1.085 13.793 1.00 70.43 C ATOM 28 CG ARG A 2 -13.284 0.003 13.020 1.00 13.40 C ATOM 29 CD ARG A 2 -14.711 -0.405 12.690 1.00 72.41 C ATOM 30 NE ARG A 2 -15.691 0.361 13.454 1.00 12.55 N ATOM 31 CZ ARG A 2 -15.929 1.654 13.258 1.00 44.14 C ATOM 32 NH1 ARG A 2 -15.261 2.319 12.325 1.00 70.02 N ATOM 33 NH2 ARG A 2 -16.836 2.283 13.993 1.00 62.22 N ATOM 0 H ARG A 2 -11.307 -3.268 14.577 1.00 12.24 H new ATOM 0 HA ARG A 2 -12.936 -2.511 12.230 1.00 20.44 H new ATOM 0 HB2 ARG A 2 -13.205 -1.444 14.593 1.00 70.43 H new ATOM 0 HB3 ARG A 2 -11.675 -0.656 14.266 1.00 70.43 H new ATOM 0 HG2 ARG A 2 -13.294 0.922 13.606 1.00 13.40 H new ATOM 0 HG3 ARG A 2 -12.744 0.218 12.098 1.00 13.40 H new ATOM 0 HD2 ARG A 2 -14.891 -0.263 11.624 1.00 72.41 H new ATOM 0 HD3 ARG A 2 -14.841 -1.467 12.896 1.00 72.41 H new ATOM 0 HE ARG A 2 -16.222 -0.123 14.178 1.00 12.55 H new ATOM 0 HH11 ARG A 2 -14.564 1.838 11.757 1.00 70.02 H new ATOM 0 HH12 ARG A 2 -15.445 3.311 12.176 1.00 70.02 H new ATOM 0 HH21 ARG A 2 -17.353 1.775 14.711 1.00 62.22 H new ATOM 0 HH22 ARG A 2 -17.017 3.275 13.841 1.00 62.22 H new ATOM 47 N PHE A 3 -9.724 -2.038 12.750 1.00 52.12 N ATOM 48 CA PHE A 3 -8.461 -1.721 12.094 1.00 60.43 C ATOM 49 C PHE A 3 -8.239 -2.621 10.881 1.00 64.12 C ATOM 50 O PHE A 3 -7.526 -2.255 9.945 1.00 53.02 O ATOM 51 CB PHE A 3 -7.299 -1.875 13.076 1.00 31.23 C ATOM 52 CG PHE A 3 -6.967 -3.305 13.395 1.00 1.51 C ATOM 53 CD1 PHE A 3 -6.074 -4.014 12.607 1.00 22.52 C ATOM 54 CD2 PHE A 3 -7.547 -3.940 14.480 1.00 13.34 C ATOM 55 CE1 PHE A 3 -5.767 -5.329 12.897 1.00 71.34 C ATOM 56 CE2 PHE A 3 -7.244 -5.255 14.775 1.00 75.15 C ATOM 57 CZ PHE A 3 -6.352 -5.951 13.983 1.00 71.24 C ATOM 0 H PHE A 3 -9.629 -2.360 13.713 1.00 52.12 H new ATOM 0 HA PHE A 3 -8.506 -0.686 11.755 1.00 60.43 H new ATOM 0 HB2 PHE A 3 -6.416 -1.390 12.660 1.00 31.23 H new ATOM 0 HB3 PHE A 3 -7.544 -1.353 14.001 1.00 31.23 H new ATOM 0 HD1 PHE A 3 -5.613 -3.533 11.757 1.00 22.52 H new ATOM 0 HD2 PHE A 3 -8.245 -3.401 15.103 1.00 13.34 H new ATOM 0 HE1 PHE A 3 -5.070 -5.871 12.275 1.00 71.34 H new ATOM 0 HE2 PHE A 3 -7.704 -5.738 15.624 1.00 75.15 H new ATOM 0 HZ PHE A 3 -6.112 -6.979 14.212 1.00 71.24 H new ATOM 67 N LYS A 4 -8.852 -3.799 10.905 1.00 24.12 N ATOM 68 CA LYS A 4 -8.722 -4.751 9.809 1.00 55.04 C ATOM 69 C LYS A 4 -9.044 -4.091 8.473 1.00 24.10 C ATOM 70 O LYS A 4 -8.421 -4.391 7.454 1.00 2.54 O ATOM 71 CB LYS A 4 -9.649 -5.948 10.034 1.00 73.21 C ATOM 72 CG LYS A 4 -8.920 -7.214 10.450 1.00 21.24 C ATOM 73 CD LYS A 4 -9.811 -8.438 10.325 1.00 63.50 C ATOM 74 CE LYS A 4 -8.996 -9.697 10.071 1.00 23.21 C ATOM 75 NZ LYS A 4 -8.956 -10.048 8.624 1.00 33.22 N ATOM 0 H LYS A 4 -9.444 -4.117 11.672 1.00 24.12 H new ATOM 0 HA LYS A 4 -7.689 -5.098 9.783 1.00 55.04 H new ATOM 0 HB2 LYS A 4 -10.380 -5.691 10.801 1.00 73.21 H new ATOM 0 HB3 LYS A 4 -10.205 -6.144 9.117 1.00 73.21 H new ATOM 0 HG2 LYS A 4 -8.033 -7.344 9.830 1.00 21.24 H new ATOM 0 HG3 LYS A 4 -8.578 -7.116 11.480 1.00 21.24 H new ATOM 0 HD2 LYS A 4 -10.395 -8.559 11.237 1.00 63.50 H new ATOM 0 HD3 LYS A 4 -10.520 -8.292 9.510 1.00 63.50 H new ATOM 0 HE2 LYS A 4 -7.980 -9.552 10.438 1.00 23.21 H new ATOM 0 HE3 LYS A 4 -9.423 -10.526 10.634 1.00 23.21 H new ATOM 0 HZ1 LYS A 4 -8.391 -10.911 8.492 1.00 33.22 H new ATOM 0 HZ2 LYS A 4 -9.924 -10.211 8.279 1.00 33.22 H new ATOM 0 HZ3 LYS A 4 -8.525 -9.267 8.089 1.00 33.22 H new ATOM 89 N LYS A 5 -10.019 -3.188 8.484 1.00 44.10 N ATOM 90 CA LYS A 5 -10.421 -2.481 7.273 1.00 34.32 C ATOM 91 C LYS A 5 -9.363 -1.465 6.860 1.00 42.25 C ATOM 92 O LYS A 5 -9.174 -1.198 5.672 1.00 15.24 O ATOM 93 CB LYS A 5 -11.762 -1.777 7.492 1.00 15.44 C ATOM 94 CG LYS A 5 -12.967 -2.664 7.229 1.00 63.41 C ATOM 95 CD LYS A 5 -13.437 -3.356 8.497 1.00 0.15 C ATOM 96 CE LYS A 5 -14.901 -3.758 8.403 1.00 53.31 C ATOM 97 NZ LYS A 5 -15.186 -5.002 9.169 1.00 62.44 N ATOM 0 H LYS A 5 -10.546 -2.928 9.318 1.00 44.10 H new ATOM 0 HA LYS A 5 -10.528 -3.213 6.472 1.00 34.32 H new ATOM 0 HB2 LYS A 5 -11.808 -1.412 8.518 1.00 15.44 H new ATOM 0 HB3 LYS A 5 -11.815 -0.905 6.841 1.00 15.44 H new ATOM 0 HG2 LYS A 5 -13.779 -2.064 6.819 1.00 63.41 H new ATOM 0 HG3 LYS A 5 -12.712 -3.412 6.478 1.00 63.41 H new ATOM 0 HD2 LYS A 5 -12.827 -4.241 8.677 1.00 0.15 H new ATOM 0 HD3 LYS A 5 -13.295 -2.692 9.349 1.00 0.15 H new ATOM 0 HE2 LYS A 5 -15.525 -2.948 8.781 1.00 53.31 H new ATOM 0 HE3 LYS A 5 -15.170 -3.906 7.357 1.00 53.31 H new ATOM 0 HZ1 LYS A 5 -16.194 -5.242 9.079 1.00 62.44 H new ATOM 0 HZ2 LYS A 5 -14.610 -5.781 8.792 1.00 62.44 H new ATOM 0 HZ3 LYS A 5 -14.953 -4.853 10.172 1.00 62.44 H new ATOM 111 N PHE A 6 -8.672 -0.901 7.845 1.00 2.41 N ATOM 112 CA PHE A 6 -7.631 0.086 7.582 1.00 31.31 C ATOM 113 C PHE A 6 -6.452 -0.549 6.850 1.00 2.22 C ATOM 114 O PHE A 6 -5.901 0.033 5.916 1.00 1.53 O ATOM 115 CB PHE A 6 -7.154 0.716 8.892 1.00 74.40 C ATOM 116 CG PHE A 6 -5.944 1.591 8.730 1.00 31.21 C ATOM 117 CD1 PHE A 6 -5.959 2.661 7.851 1.00 3.10 C ATOM 118 CD2 PHE A 6 -4.790 1.342 9.458 1.00 55.51 C ATOM 119 CE1 PHE A 6 -4.847 3.467 7.700 1.00 61.12 C ATOM 120 CE2 PHE A 6 -3.675 2.145 9.311 1.00 3.20 C ATOM 121 CZ PHE A 6 -3.704 3.209 8.432 1.00 44.41 C ATOM 0 H PHE A 6 -8.814 -1.111 8.833 1.00 2.41 H new ATOM 0 HA PHE A 6 -8.054 0.864 6.946 1.00 31.31 H new ATOM 0 HB2 PHE A 6 -7.965 1.306 9.319 1.00 74.40 H new ATOM 0 HB3 PHE A 6 -6.927 -0.076 9.605 1.00 74.40 H new ATOM 0 HD1 PHE A 6 -6.850 2.868 7.277 1.00 3.10 H new ATOM 0 HD2 PHE A 6 -4.763 0.511 10.148 1.00 55.51 H new ATOM 0 HE1 PHE A 6 -4.871 4.298 7.010 1.00 61.12 H new ATOM 0 HE2 PHE A 6 -2.782 1.940 9.883 1.00 3.20 H new ATOM 0 HZ PHE A 6 -2.834 3.839 8.317 1.00 44.41 H new ATOM 131 N PHE A 7 -6.070 -1.746 7.282 1.00 14.33 N ATOM 132 CA PHE A 7 -4.956 -2.460 6.670 1.00 63.01 C ATOM 133 C PHE A 7 -5.128 -2.541 5.156 1.00 5.10 C ATOM 134 O PHE A 7 -4.235 -2.162 4.397 1.00 53.12 O ATOM 135 CB PHE A 7 -4.840 -3.868 7.257 1.00 32.22 C ATOM 136 CG PHE A 7 -3.724 -4.676 6.661 1.00 75.44 C ATOM 137 CD1 PHE A 7 -2.466 -4.124 6.488 1.00 31.24 C ATOM 138 CD2 PHE A 7 -3.934 -5.990 6.271 1.00 13.14 C ATOM 139 CE1 PHE A 7 -1.436 -4.866 5.939 1.00 34.32 C ATOM 140 CE2 PHE A 7 -2.909 -6.736 5.722 1.00 51.13 C ATOM 141 CZ PHE A 7 -1.659 -6.174 5.555 1.00 60.11 C ATOM 0 H PHE A 7 -6.516 -2.242 8.054 1.00 14.33 H new ATOM 0 HA PHE A 7 -4.041 -1.908 6.885 1.00 63.01 H new ATOM 0 HB2 PHE A 7 -4.688 -3.793 8.334 1.00 32.22 H new ATOM 0 HB3 PHE A 7 -5.782 -4.395 7.104 1.00 32.22 H new ATOM 0 HD1 PHE A 7 -2.287 -3.101 6.785 1.00 31.24 H new ATOM 0 HD2 PHE A 7 -4.910 -6.435 6.398 1.00 13.14 H new ATOM 0 HE1 PHE A 7 -0.459 -4.424 5.811 1.00 34.32 H new ATOM 0 HE2 PHE A 7 -3.085 -7.759 5.423 1.00 51.13 H new ATOM 0 HZ PHE A 7 -0.857 -6.756 5.125 1.00 60.11 H new ATOM 151 N LYS A 8 -6.281 -3.038 4.723 1.00 15.12 N ATOM 152 CA LYS A 8 -6.573 -3.169 3.301 1.00 74.25 C ATOM 153 C LYS A 8 -6.456 -1.823 2.595 1.00 61.04 C ATOM 154 O LYS A 8 -6.174 -1.760 1.398 1.00 12.30 O ATOM 155 CB LYS A 8 -7.978 -3.743 3.098 1.00 11.14 C ATOM 156 CG LYS A 8 -7.993 -5.242 2.855 1.00 55.54 C ATOM 157 CD LYS A 8 -7.507 -6.010 4.072 1.00 54.02 C ATOM 158 CE LYS A 8 -8.322 -7.275 4.296 1.00 41.32 C ATOM 159 NZ LYS A 8 -8.298 -8.168 3.104 1.00 51.34 N ATOM 0 H LYS A 8 -7.030 -3.357 5.338 1.00 15.12 H new ATOM 0 HA LYS A 8 -5.842 -3.851 2.867 1.00 74.25 H new ATOM 0 HB2 LYS A 8 -8.583 -3.520 3.977 1.00 11.14 H new ATOM 0 HB3 LYS A 8 -8.448 -3.241 2.252 1.00 11.14 H new ATOM 0 HG2 LYS A 8 -9.005 -5.560 2.603 1.00 55.54 H new ATOM 0 HG3 LYS A 8 -7.362 -5.479 1.999 1.00 55.54 H new ATOM 0 HD2 LYS A 8 -6.457 -6.271 3.943 1.00 54.02 H new ATOM 0 HD3 LYS A 8 -7.571 -5.374 4.955 1.00 54.02 H new ATOM 0 HE2 LYS A 8 -7.930 -7.812 5.160 1.00 41.32 H new ATOM 0 HE3 LYS A 8 -9.353 -7.007 4.528 1.00 41.32 H new ATOM 0 HZ1 LYS A 8 -8.718 -9.087 3.350 1.00 51.34 H new ATOM 0 HZ2 LYS A 8 -8.845 -7.733 2.333 1.00 51.34 H new ATOM 0 HZ3 LYS A 8 -7.315 -8.308 2.795 1.00 51.34 H new ATOM 173 N LYS A 9 -6.672 -0.746 3.343 1.00 24.42 N ATOM 174 CA LYS A 9 -6.587 0.600 2.791 1.00 52.11 C ATOM 175 C LYS A 9 -5.134 1.053 2.681 1.00 0.33 C ATOM 176 O LYS A 9 -4.757 1.739 1.731 1.00 11.42 O ATOM 177 CB LYS A 9 -7.374 1.581 3.661 1.00 12.03 C ATOM 178 CG LYS A 9 -7.575 2.942 3.016 1.00 23.32 C ATOM 179 CD LYS A 9 -6.405 3.870 3.298 1.00 21.41 C ATOM 180 CE LYS A 9 -6.829 5.061 4.144 1.00 32.13 C ATOM 181 NZ LYS A 9 -5.809 6.145 4.129 1.00 51.24 N ATOM 0 H LYS A 9 -6.908 -0.780 4.335 1.00 24.42 H new ATOM 0 HA LYS A 9 -7.020 0.583 1.791 1.00 52.11 H new ATOM 0 HB2 LYS A 9 -8.348 1.149 3.890 1.00 12.03 H new ATOM 0 HB3 LYS A 9 -6.853 1.711 4.609 1.00 12.03 H new ATOM 0 HG2 LYS A 9 -7.694 2.822 1.939 1.00 23.32 H new ATOM 0 HG3 LYS A 9 -8.495 3.391 3.390 1.00 23.32 H new ATOM 0 HD2 LYS A 9 -5.618 3.319 3.813 1.00 21.41 H new ATOM 0 HD3 LYS A 9 -5.984 4.223 2.357 1.00 21.41 H new ATOM 0 HE2 LYS A 9 -7.777 5.450 3.773 1.00 32.13 H new ATOM 0 HE3 LYS A 9 -6.997 4.735 5.171 1.00 32.13 H new ATOM 0 HZ1 LYS A 9 -6.136 6.938 4.717 1.00 51.24 H new ATOM 0 HZ2 LYS A 9 -4.911 5.782 4.506 1.00 51.24 H new ATOM 0 HZ3 LYS A 9 -5.666 6.474 3.153 1.00 51.24 H new ATOM 195 N VAL A 10 -4.323 0.663 3.659 1.00 23.11 N ATOM 196 CA VAL A 10 -2.911 1.027 3.671 1.00 5.12 C ATOM 197 C VAL A 10 -2.164 0.374 2.513 1.00 34.00 C ATOM 198 O VAL A 10 -1.208 0.935 1.980 1.00 4.53 O ATOM 199 CB VAL A 10 -2.238 0.621 4.996 1.00 42.54 C ATOM 200 CG1 VAL A 10 -0.855 1.246 5.106 1.00 63.04 C ATOM 201 CG2 VAL A 10 -3.107 1.019 6.179 1.00 71.15 C ATOM 0 H VAL A 10 -4.619 0.095 4.453 1.00 23.11 H new ATOM 0 HA VAL A 10 -2.863 2.111 3.565 1.00 5.12 H new ATOM 0 HB VAL A 10 -2.123 -0.463 5.008 1.00 42.54 H new ATOM 0 HG11 VAL A 10 -0.395 0.948 6.048 1.00 63.04 H new ATOM 0 HG12 VAL A 10 -0.235 0.906 4.276 1.00 63.04 H new ATOM 0 HG13 VAL A 10 -0.943 2.332 5.072 1.00 63.04 H new ATOM 0 HG21 VAL A 10 -2.616 0.724 7.107 1.00 71.15 H new ATOM 0 HG22 VAL A 10 -3.256 2.099 6.174 1.00 71.15 H new ATOM 0 HG23 VAL A 10 -4.073 0.519 6.105 1.00 71.15 H new ATOM 211 N LYS A 11 -2.609 -0.818 2.127 1.00 14.22 N ATOM 212 CA LYS A 11 -1.986 -1.549 1.030 1.00 0.23 C ATOM 213 C LYS A 11 -2.143 -0.794 -0.285 1.00 73.05 C ATOM 214 O LYS A 11 -1.286 -0.874 -1.166 1.00 75.33 O ATOM 215 CB LYS A 11 -2.602 -2.945 0.907 1.00 0.14 C ATOM 216 CG LYS A 11 -2.538 -3.753 2.191 1.00 72.41 C ATOM 217 CD LYS A 11 -1.828 -5.080 1.979 1.00 21.45 C ATOM 218 CE LYS A 11 -2.640 -6.014 1.095 1.00 11.32 C ATOM 219 NZ LYS A 11 -1.791 -7.064 0.470 1.00 74.21 N ATOM 0 H LYS A 11 -3.399 -1.298 2.558 1.00 14.22 H new ATOM 0 HA LYS A 11 -0.922 -1.646 1.247 1.00 0.23 H new ATOM 0 HB2 LYS A 11 -3.643 -2.848 0.600 1.00 0.14 H new ATOM 0 HB3 LYS A 11 -2.087 -3.492 0.117 1.00 0.14 H new ATOM 0 HG2 LYS A 11 -2.018 -3.179 2.958 1.00 72.41 H new ATOM 0 HG3 LYS A 11 -3.548 -3.934 2.559 1.00 72.41 H new ATOM 0 HD2 LYS A 11 -0.853 -4.903 1.524 1.00 21.45 H new ATOM 0 HD3 LYS A 11 -1.648 -5.555 2.943 1.00 21.45 H new ATOM 0 HE2 LYS A 11 -3.423 -6.486 1.688 1.00 11.32 H new ATOM 0 HE3 LYS A 11 -3.136 -5.436 0.315 1.00 11.32 H new ATOM 0 HZ1 LYS A 11 -2.382 -7.680 -0.124 1.00 74.21 H new ATOM 0 HZ2 LYS A 11 -1.059 -6.615 -0.117 1.00 74.21 H new ATOM 0 HZ3 LYS A 11 -1.338 -7.632 1.214 1.00 74.21 H new ATOM 233 N LYS A 12 -3.243 -0.060 -0.414 1.00 12.53 N ATOM 234 CA LYS A 12 -3.513 0.712 -1.621 1.00 23.41 C ATOM 235 C LYS A 12 -2.609 1.939 -1.694 1.00 40.22 C ATOM 236 O LYS A 12 -1.951 2.177 -2.707 1.00 64.34 O ATOM 237 CB LYS A 12 -4.980 1.143 -1.659 1.00 41.41 C ATOM 238 CG LYS A 12 -5.840 0.294 -2.581 1.00 4.13 C ATOM 239 CD LYS A 12 -6.619 1.153 -3.563 1.00 13.41 C ATOM 240 CE LYS A 12 -7.150 0.327 -4.725 1.00 0.43 C ATOM 241 NZ LYS A 12 -8.117 -0.711 -4.271 1.00 44.45 N ATOM 0 H LYS A 12 -3.963 0.016 0.304 1.00 12.53 H new ATOM 0 HA LYS A 12 -3.306 0.077 -2.483 1.00 23.41 H new ATOM 0 HB2 LYS A 12 -5.390 1.098 -0.650 1.00 41.41 H new ATOM 0 HB3 LYS A 12 -5.036 2.183 -1.979 1.00 41.41 H new ATOM 0 HG2 LYS A 12 -5.208 -0.405 -3.129 1.00 4.13 H new ATOM 0 HG3 LYS A 12 -6.533 -0.302 -1.987 1.00 4.13 H new ATOM 0 HD2 LYS A 12 -7.450 1.635 -3.048 1.00 13.41 H new ATOM 0 HD3 LYS A 12 -5.976 1.947 -3.943 1.00 13.41 H new ATOM 0 HE2 LYS A 12 -7.635 0.985 -5.446 1.00 0.43 H new ATOM 0 HE3 LYS A 12 -6.318 -0.152 -5.240 1.00 0.43 H new ATOM 0 HZ1 LYS A 12 -8.494 -1.219 -5.097 1.00 44.45 H new ATOM 0 HZ2 LYS A 12 -7.634 -1.384 -3.642 1.00 44.45 H new ATOM 0 HZ3 LYS A 12 -8.899 -0.256 -3.757 1.00 44.45 H new ATOM 255 N SER A 13 -2.582 2.714 -0.615 1.00 22.21 N ATOM 256 CA SER A 13 -1.762 3.917 -0.559 1.00 5.12 C ATOM 257 C SER A 13 -0.277 3.564 -0.561 1.00 32.13 C ATOM 258 O SER A 13 0.486 4.042 -1.401 1.00 33.22 O ATOM 259 CB SER A 13 -2.101 4.733 0.690 1.00 24.15 C ATOM 260 OG SER A 13 -3.227 5.563 0.466 1.00 35.14 O ATOM 0 H SER A 13 -3.119 2.530 0.232 1.00 22.21 H new ATOM 0 HA SER A 13 -1.977 4.514 -1.445 1.00 5.12 H new ATOM 0 HB2 SER A 13 -2.301 4.061 1.524 1.00 24.15 H new ATOM 0 HB3 SER A 13 -1.244 5.345 0.972 1.00 24.15 H new ATOM 0 HG SER A 13 -3.425 6.073 1.279 1.00 35.14 H new ATOM 266 N VAL A 14 0.126 2.722 0.385 1.00 30.53 N ATOM 267 CA VAL A 14 1.517 2.302 0.494 1.00 24.42 C ATOM 268 C VAL A 14 2.022 1.725 -0.824 1.00 14.52 C ATOM 269 O VAL A 14 3.196 1.865 -1.168 1.00 13.32 O ATOM 270 CB VAL A 14 1.702 1.252 1.605 1.00 23.22 C ATOM 271 CG1 VAL A 14 3.092 0.638 1.534 1.00 74.41 C ATOM 272 CG2 VAL A 14 1.456 1.874 2.972 1.00 12.31 C ATOM 0 H VAL A 14 -0.493 2.317 1.088 1.00 30.53 H new ATOM 0 HA VAL A 14 2.096 3.191 0.745 1.00 24.42 H new ATOM 0 HB VAL A 14 0.971 0.457 1.455 1.00 23.22 H new ATOM 0 HG11 VAL A 14 3.204 -0.102 2.327 1.00 74.41 H new ATOM 0 HG12 VAL A 14 3.228 0.156 0.566 1.00 74.41 H new ATOM 0 HG13 VAL A 14 3.842 1.419 1.658 1.00 74.41 H new ATOM 0 HG21 VAL A 14 1.591 1.118 3.745 1.00 12.31 H new ATOM 0 HG22 VAL A 14 2.162 2.688 3.134 1.00 12.31 H new ATOM 0 HG23 VAL A 14 0.438 2.262 3.017 1.00 12.31 H new ATOM 282 N LYS A 15 1.125 1.075 -1.560 1.00 63.22 N ATOM 283 CA LYS A 15 1.477 0.477 -2.842 1.00 64.14 C ATOM 284 C LYS A 15 2.180 1.490 -3.740 1.00 71.33 C ATOM 285 O LYS A 15 3.105 1.145 -4.476 1.00 44.41 O ATOM 286 CB LYS A 15 0.224 -0.056 -3.540 1.00 60.31 C ATOM 287 CG LYS A 15 0.149 -1.572 -3.582 1.00 62.12 C ATOM 288 CD LYS A 15 -1.135 -2.050 -4.238 1.00 51.52 C ATOM 289 CE LYS A 15 -1.153 -3.563 -4.395 1.00 1.24 C ATOM 290 NZ LYS A 15 -0.584 -3.991 -5.703 1.00 12.11 N ATOM 0 H LYS A 15 0.149 0.950 -1.290 1.00 63.22 H new ATOM 0 HA LYS A 15 2.161 -0.351 -2.653 1.00 64.14 H new ATOM 0 HB2 LYS A 15 -0.658 0.329 -3.028 1.00 60.31 H new ATOM 0 HB3 LYS A 15 0.195 0.329 -4.559 1.00 60.31 H new ATOM 0 HG2 LYS A 15 1.006 -1.964 -4.130 1.00 62.12 H new ATOM 0 HG3 LYS A 15 0.210 -1.968 -2.568 1.00 62.12 H new ATOM 0 HD2 LYS A 15 -1.990 -1.735 -3.639 1.00 51.52 H new ATOM 0 HD3 LYS A 15 -1.241 -1.581 -5.216 1.00 51.52 H new ATOM 0 HE2 LYS A 15 -0.584 -4.019 -3.585 1.00 1.24 H new ATOM 0 HE3 LYS A 15 -2.177 -3.925 -4.309 1.00 1.24 H new ATOM 0 HZ1 LYS A 15 -0.614 -5.028 -5.772 1.00 12.11 H new ATOM 0 HZ2 LYS A 15 -1.142 -3.576 -6.477 1.00 12.11 H new ATOM 0 HZ3 LYS A 15 0.402 -3.668 -5.775 1.00 12.11 H new ATOM 304 N LYS A 16 1.737 2.741 -3.674 1.00 32.11 N ATOM 305 CA LYS A 16 2.325 3.805 -4.480 1.00 21.44 C ATOM 306 C LYS A 16 3.816 3.948 -4.187 1.00 75.11 C ATOM 307 O LYS A 16 4.622 4.124 -5.100 1.00 71.41 O ATOM 308 CB LYS A 16 1.612 5.131 -4.207 1.00 12.21 C ATOM 309 CG LYS A 16 0.292 5.275 -4.947 1.00 64.12 C ATOM 310 CD LYS A 16 -0.313 6.655 -4.745 1.00 62.44 C ATOM 311 CE LYS A 16 -1.538 6.859 -5.622 1.00 62.02 C ATOM 312 NZ LYS A 16 -2.697 6.052 -5.152 1.00 51.13 N ATOM 0 H LYS A 16 0.972 3.043 -3.070 1.00 32.11 H new ATOM 0 HA LYS A 16 2.202 3.542 -5.531 1.00 21.44 H new ATOM 0 HB2 LYS A 16 1.431 5.223 -3.136 1.00 12.21 H new ATOM 0 HB3 LYS A 16 2.270 5.953 -4.491 1.00 12.21 H new ATOM 0 HG2 LYS A 16 0.449 5.098 -6.011 1.00 64.12 H new ATOM 0 HG3 LYS A 16 -0.407 4.515 -4.597 1.00 64.12 H new ATOM 0 HD2 LYS A 16 -0.588 6.783 -3.698 1.00 62.44 H new ATOM 0 HD3 LYS A 16 0.432 7.417 -4.975 1.00 62.44 H new ATOM 0 HE2 LYS A 16 -1.809 7.915 -5.627 1.00 62.02 H new ATOM 0 HE3 LYS A 16 -1.298 6.586 -6.650 1.00 62.02 H new ATOM 0 HZ1 LYS A 16 -3.512 6.219 -5.776 1.00 51.13 H new ATOM 0 HZ2 LYS A 16 -2.448 5.043 -5.171 1.00 51.13 H new ATOM 0 HZ3 LYS A 16 -2.942 6.330 -4.180 1.00 51.13 H new ATOM 326 N ARG A 17 4.173 3.870 -2.909 1.00 40.14 N ATOM 327 CA ARG A 17 5.567 3.991 -2.497 1.00 75.34 C ATOM 328 C ARG A 17 6.414 2.882 -3.115 1.00 51.50 C ATOM 329 O ARG A 17 7.410 3.151 -3.789 1.00 71.33 O ATOM 330 CB ARG A 17 5.676 3.941 -0.972 1.00 75.03 C ATOM 331 CG ARG A 17 5.624 5.309 -0.312 1.00 41.44 C ATOM 332 CD ARG A 17 4.288 5.994 -0.557 1.00 41.20 C ATOM 333 NE ARG A 17 3.718 6.536 0.674 1.00 60.53 N ATOM 334 CZ ARG A 17 2.687 7.373 0.700 1.00 41.50 C ATOM 335 NH1 ARG A 17 2.116 7.762 -0.432 1.00 1.33 N ATOM 336 NH2 ARG A 17 2.224 7.822 1.860 1.00 44.03 N ATOM 0 H ARG A 17 3.517 3.724 -2.142 1.00 40.14 H new ATOM 0 HA ARG A 17 5.943 4.951 -2.850 1.00 75.34 H new ATOM 0 HB2 ARG A 17 4.867 3.326 -0.578 1.00 75.03 H new ATOM 0 HB3 ARG A 17 6.610 3.451 -0.699 1.00 75.03 H new ATOM 0 HG2 ARG A 17 5.789 5.204 0.760 1.00 41.44 H new ATOM 0 HG3 ARG A 17 6.430 5.932 -0.699 1.00 41.44 H new ATOM 0 HD2 ARG A 17 4.420 6.799 -1.280 1.00 41.20 H new ATOM 0 HD3 ARG A 17 3.590 5.281 -0.997 1.00 41.20 H new ATOM 0 HE ARG A 17 4.135 6.256 1.562 1.00 60.53 H new ATOM 0 HH11 ARG A 17 2.468 7.418 -1.325 1.00 1.33 H new ATOM 0 HH12 ARG A 17 1.324 8.405 -0.409 1.00 1.33 H new ATOM 0 HH21 ARG A 17 2.660 7.524 2.733 1.00 44.03 H new ATOM 0 HH22 ARG A 17 1.432 8.465 1.879 1.00 44.03 H new ATOM 350 N LEU A 18 6.013 1.638 -2.882 1.00 71.42 N ATOM 351 CA LEU A 18 6.735 0.488 -3.415 1.00 71.01 C ATOM 352 C LEU A 18 6.697 0.481 -4.940 1.00 62.30 C ATOM 353 O LEU A 18 7.584 -0.071 -5.592 1.00 24.24 O ATOM 354 CB LEU A 18 6.137 -0.811 -2.873 1.00 72.13 C ATOM 355 CG LEU A 18 6.581 -1.219 -1.468 1.00 62.44 C ATOM 356 CD1 LEU A 18 5.406 -1.770 -0.676 1.00 31.05 C ATOM 357 CD2 LEU A 18 7.704 -2.244 -1.540 1.00 12.23 C ATOM 0 H LEU A 18 5.191 1.399 -2.327 1.00 71.42 H new ATOM 0 HA LEU A 18 7.774 0.563 -3.096 1.00 71.01 H new ATOM 0 HB2 LEU A 18 5.051 -0.717 -2.876 1.00 72.13 H new ATOM 0 HB3 LEU A 18 6.389 -1.618 -3.561 1.00 72.13 H new ATOM 0 HG LEU A 18 6.956 -0.333 -0.955 1.00 62.44 H new ATOM 0 HD11 LEU A 18 5.741 -2.055 0.321 1.00 31.05 H new ATOM 0 HD12 LEU A 18 4.632 -1.007 -0.594 1.00 31.05 H new ATOM 0 HD13 LEU A 18 5.001 -2.644 -1.186 1.00 31.05 H new ATOM 0 HD21 LEU A 18 8.007 -2.523 -0.531 1.00 12.23 H new ATOM 0 HD22 LEU A 18 7.355 -3.129 -2.072 1.00 12.23 H new ATOM 0 HD23 LEU A 18 8.555 -1.815 -2.069 1.00 12.23 H new ATOM 369 N LYS A 19 5.666 1.100 -5.505 1.00 31.32 N ATOM 370 CA LYS A 19 5.514 1.168 -6.953 1.00 1.52 C ATOM 371 C LYS A 19 6.777 1.718 -7.607 1.00 51.45 C ATOM 372 O LYS A 19 7.105 1.364 -8.740 1.00 3.31 O ATOM 373 CB LYS A 19 4.314 2.047 -7.319 1.00 64.43 C ATOM 374 CG LYS A 19 3.861 1.887 -8.760 1.00 70.33 C ATOM 375 CD LYS A 19 2.457 2.429 -8.965 1.00 41.50 C ATOM 376 CE LYS A 19 2.336 3.179 -10.284 1.00 22.04 C ATOM 377 NZ LYS A 19 0.984 3.778 -10.460 1.00 71.45 N ATOM 0 H LYS A 19 4.923 1.562 -4.981 1.00 31.32 H new ATOM 0 HA LYS A 19 5.344 0.157 -7.324 1.00 1.52 H new ATOM 0 HB2 LYS A 19 3.482 1.807 -6.657 1.00 64.43 H new ATOM 0 HB3 LYS A 19 4.571 3.091 -7.141 1.00 64.43 H new ATOM 0 HG2 LYS A 19 4.554 2.409 -9.420 1.00 70.33 H new ATOM 0 HG3 LYS A 19 3.889 0.833 -9.037 1.00 70.33 H new ATOM 0 HD2 LYS A 19 1.742 1.607 -8.946 1.00 41.50 H new ATOM 0 HD3 LYS A 19 2.199 3.095 -8.142 1.00 41.50 H new ATOM 0 HE2 LYS A 19 3.090 3.965 -10.325 1.00 22.04 H new ATOM 0 HE3 LYS A 19 2.541 2.497 -11.109 1.00 22.04 H new ATOM 0 HZ1 LYS A 19 0.942 4.280 -11.370 1.00 71.45 H new ATOM 0 HZ2 LYS A 19 0.266 3.025 -10.447 1.00 71.45 H new ATOM 0 HZ3 LYS A 19 0.798 4.448 -9.687 1.00 71.45 H new ATOM 391 N LYS A 20 7.484 2.581 -6.887 1.00 2.13 N ATOM 392 CA LYS A 20 8.714 3.177 -7.395 1.00 3.31 C ATOM 393 C LYS A 20 9.886 2.210 -7.256 1.00 0.53 C ATOM 394 O LYS A 20 10.812 2.221 -8.067 1.00 13.33 O ATOM 395 CB LYS A 20 9.021 4.478 -6.651 1.00 73.30 C ATOM 396 CG LYS A 20 8.067 5.611 -6.986 1.00 32.02 C ATOM 397 CD LYS A 20 8.812 6.908 -7.249 1.00 12.14 C ATOM 398 CE LYS A 20 9.380 7.495 -5.966 1.00 12.13 C ATOM 399 NZ LYS A 20 10.868 7.554 -5.994 1.00 74.23 N ATOM 0 H LYS A 20 7.226 2.884 -5.948 1.00 2.13 H new ATOM 0 HA LYS A 20 8.571 3.397 -8.453 1.00 3.31 H new ATOM 0 HB2 LYS A 20 8.985 4.290 -5.578 1.00 73.30 H new ATOM 0 HB3 LYS A 20 10.039 4.790 -6.886 1.00 73.30 H new ATOM 0 HG2 LYS A 20 7.478 5.344 -7.864 1.00 32.02 H new ATOM 0 HG3 LYS A 20 7.366 5.753 -6.163 1.00 32.02 H new ATOM 0 HD2 LYS A 20 9.621 6.727 -7.957 1.00 12.14 H new ATOM 0 HD3 LYS A 20 8.138 7.628 -7.713 1.00 12.14 H new ATOM 0 HE2 LYS A 20 8.980 8.498 -5.817 1.00 12.13 H new ATOM 0 HE3 LYS A 20 9.056 6.893 -5.117 1.00 12.13 H new ATOM 0 HZ1 LYS A 20 11.216 7.960 -5.102 1.00 74.23 H new ATOM 0 HZ2 LYS A 20 11.251 6.594 -6.111 1.00 74.23 H new ATOM 0 HZ3 LYS A 20 11.177 8.149 -6.789 1.00 74.23 H new ATOM 413 N ILE A 21 9.837 1.375 -6.223 1.00 44.14 N ATOM 414 CA ILE A 21 10.893 0.400 -5.981 1.00 75.32 C ATOM 415 C ILE A 21 10.801 -0.766 -6.959 1.00 1.23 C ATOM 416 O ILE A 21 11.797 -1.431 -7.245 1.00 22.55 O ATOM 417 CB ILE A 21 10.834 -0.146 -4.542 1.00 73.54 C ATOM 418 CG1 ILE A 21 10.948 0.998 -3.533 1.00 24.05 C ATOM 419 CG2 ILE A 21 11.939 -1.168 -4.317 1.00 43.13 C ATOM 420 CD1 ILE A 21 10.625 0.588 -2.113 1.00 71.14 C ATOM 0 H ILE A 21 9.078 1.354 -5.541 1.00 44.14 H new ATOM 0 HA ILE A 21 11.841 0.918 -6.127 1.00 75.32 H new ATOM 0 HB ILE A 21 9.873 -0.640 -4.397 1.00 73.54 H new ATOM 0 HG12 ILE A 21 11.961 1.400 -3.565 1.00 24.05 H new ATOM 0 HG13 ILE A 21 10.276 1.803 -3.832 1.00 24.05 H new ATOM 0 HG21 ILE A 21 11.884 -1.544 -3.296 1.00 43.13 H new ATOM 0 HG22 ILE A 21 11.817 -1.996 -5.016 1.00 43.13 H new ATOM 0 HG23 ILE A 21 12.909 -0.697 -4.478 1.00 43.13 H new ATOM 0 HD11 ILE A 21 10.727 1.450 -1.453 1.00 71.14 H new ATOM 0 HD12 ILE A 21 9.602 0.214 -2.066 1.00 71.14 H new ATOM 0 HD13 ILE A 21 11.313 -0.195 -1.795 1.00 71.14 H new ATOM 432 N PHE A 22 9.599 -1.008 -7.472 1.00 20.13 N ATOM 433 CA PHE A 22 9.377 -2.093 -8.420 1.00 24.01 C ATOM 434 C PHE A 22 9.326 -1.564 -9.851 1.00 25.44 C ATOM 435 O PHE A 22 8.664 -2.138 -10.715 1.00 71.31 O ATOM 436 CB PHE A 22 8.076 -2.829 -8.090 1.00 43.21 C ATOM 437 CG PHE A 22 8.168 -3.684 -6.859 1.00 53.51 C ATOM 438 CD1 PHE A 22 8.838 -4.896 -6.890 1.00 32.55 C ATOM 439 CD2 PHE A 22 7.581 -3.276 -5.671 1.00 61.34 C ATOM 440 CE1 PHE A 22 8.924 -5.685 -5.758 1.00 53.13 C ATOM 441 CE2 PHE A 22 7.664 -4.062 -4.538 1.00 33.34 C ATOM 442 CZ PHE A 22 8.335 -5.268 -4.580 1.00 40.35 C ATOM 0 H PHE A 22 8.764 -0.467 -7.247 1.00 20.13 H new ATOM 0 HA PHE A 22 10.212 -2.789 -8.338 1.00 24.01 H new ATOM 0 HB2 PHE A 22 7.278 -2.098 -7.957 1.00 43.21 H new ATOM 0 HB3 PHE A 22 7.797 -3.455 -8.938 1.00 43.21 H new ATOM 0 HD1 PHE A 22 9.298 -5.228 -7.809 1.00 32.55 H new ATOM 0 HD2 PHE A 22 7.054 -2.334 -5.631 1.00 61.34 H new ATOM 0 HE1 PHE A 22 9.451 -6.627 -5.795 1.00 53.13 H new ATOM 0 HE2 PHE A 22 7.203 -3.733 -3.618 1.00 33.34 H new ATOM 0 HZ PHE A 22 8.399 -5.883 -3.695 1.00 40.35 H new ATOM 452 N LYS A 23 10.031 -0.464 -10.093 1.00 45.31 N ATOM 453 CA LYS A 23 10.069 0.144 -11.418 1.00 31.34 C ATOM 454 C LYS A 23 11.290 -0.330 -12.199 1.00 52.21 C ATOM 455 O LYS A 23 11.227 -0.517 -13.415 1.00 44.23 O ATOM 456 CB LYS A 23 10.087 1.670 -11.300 1.00 62.00 C ATOM 457 CG LYS A 23 8.847 2.338 -11.867 1.00 20.23 C ATOM 458 CD LYS A 23 9.186 3.646 -12.563 1.00 61.33 C ATOM 459 CE LYS A 23 8.482 4.825 -11.910 1.00 74.42 C ATOM 460 NZ LYS A 23 8.013 5.817 -12.916 1.00 11.34 N ATOM 0 H LYS A 23 10.584 0.025 -9.389 1.00 45.31 H new ATOM 0 HA LYS A 23 9.173 -0.163 -11.958 1.00 31.34 H new ATOM 0 HB2 LYS A 23 10.189 1.944 -10.250 1.00 62.00 H new ATOM 0 HB3 LYS A 23 10.966 2.056 -11.817 1.00 62.00 H new ATOM 0 HG2 LYS A 23 8.361 1.665 -12.573 1.00 20.23 H new ATOM 0 HG3 LYS A 23 8.135 2.526 -11.064 1.00 20.23 H new ATOM 0 HD2 LYS A 23 10.264 3.805 -12.536 1.00 61.33 H new ATOM 0 HD3 LYS A 23 8.899 3.586 -13.613 1.00 61.33 H new ATOM 0 HE2 LYS A 23 7.631 4.465 -11.331 1.00 74.42 H new ATOM 0 HE3 LYS A 23 9.161 5.311 -11.210 1.00 74.42 H new ATOM 0 HZ1 LYS A 23 7.538 6.605 -12.431 1.00 11.34 H new ATOM 0 HZ2 LYS A 23 8.827 6.180 -13.452 1.00 11.34 H new ATOM 0 HZ3 LYS A 23 7.345 5.360 -13.569 1.00 11.34 H new ATOM 474 N LYS A 24 12.399 -0.526 -11.495 1.00 63.51 N ATOM 475 CA LYS A 24 13.634 -0.981 -12.122 1.00 72.33 C ATOM 476 C LYS A 24 13.389 -2.232 -12.960 1.00 64.23 C ATOM 477 O LYS A 24 12.452 -2.995 -12.722 1.00 43.32 O ATOM 478 CB LYS A 24 14.695 -1.268 -11.057 1.00 22.51 C ATOM 479 CG LYS A 24 14.227 -2.225 -9.974 1.00 23.51 C ATOM 480 CD LYS A 24 14.552 -1.699 -8.586 1.00 43.32 C ATOM 481 CE LYS A 24 16.050 -1.524 -8.393 1.00 5.04 C ATOM 482 NZ LYS A 24 16.572 -2.385 -7.296 1.00 23.53 N ATOM 0 H LYS A 24 12.468 -0.377 -10.488 1.00 63.51 H new ATOM 0 HA LYS A 24 13.992 -0.189 -12.779 1.00 72.33 H new ATOM 0 HB2 LYS A 24 15.579 -1.684 -11.540 1.00 22.51 H new ATOM 0 HB3 LYS A 24 14.997 -0.328 -10.594 1.00 22.51 H new ATOM 0 HG2 LYS A 24 13.152 -2.379 -10.063 1.00 23.51 H new ATOM 0 HG3 LYS A 24 14.701 -3.196 -10.116 1.00 23.51 H new ATOM 0 HD2 LYS A 24 14.050 -0.744 -8.431 1.00 43.32 H new ATOM 0 HD3 LYS A 24 14.165 -2.388 -7.835 1.00 43.32 H new ATOM 0 HE2 LYS A 24 16.567 -1.766 -9.322 1.00 5.04 H new ATOM 0 HE3 LYS A 24 16.268 -0.480 -8.170 1.00 5.04 H new ATOM 0 HZ1 LYS A 24 17.597 -2.237 -7.196 1.00 23.53 H new ATOM 0 HZ2 LYS A 24 16.098 -2.137 -6.404 1.00 23.53 H new ATOM 0 HZ3 LYS A 24 16.387 -3.384 -7.520 1.00 23.53 H new ATOM 496 N PRO A 25 14.252 -2.451 -13.964 1.00 54.22 N ATOM 497 CA PRO A 25 14.150 -3.610 -14.856 1.00 55.33 C ATOM 498 C PRO A 25 14.490 -4.918 -14.149 1.00 5.33 C ATOM 499 O PRO A 25 15.616 -5.113 -13.692 1.00 2.30 O ATOM 500 CB PRO A 25 15.180 -3.308 -15.948 1.00 33.52 C ATOM 501 CG PRO A 25 16.170 -2.406 -15.295 1.00 60.21 C ATOM 502 CD PRO A 25 15.392 -1.585 -14.306 1.00 11.03 C ATOM 0 HA PRO A 25 13.136 -3.747 -15.233 1.00 55.33 H new ATOM 0 HB2 PRO A 25 15.654 -4.221 -16.309 1.00 33.52 H new ATOM 0 HB3 PRO A 25 14.715 -2.828 -16.809 1.00 33.52 H new ATOM 0 HG2 PRO A 25 16.952 -2.980 -14.797 1.00 60.21 H new ATOM 0 HG3 PRO A 25 16.662 -1.769 -16.030 1.00 60.21 H new ATOM 0 HD2 PRO A 25 15.990 -1.342 -13.427 1.00 11.03 H new ATOM 0 HD3 PRO A 25 15.063 -0.640 -14.739 1.00 11.03 H new ATOM 510 N MET A 26 13.509 -5.811 -14.062 1.00 41.02 N ATOM 511 CA MET A 26 13.706 -7.101 -13.412 1.00 62.31 C ATOM 512 C MET A 26 14.374 -8.092 -14.361 1.00 2.23 C ATOM 513 O MET A 26 15.556 -8.404 -14.217 1.00 75.02 O ATOM 514 CB MET A 26 12.368 -7.662 -12.929 1.00 71.10 C ATOM 515 CG MET A 26 12.190 -7.595 -11.420 1.00 62.24 C ATOM 516 SD MET A 26 10.715 -6.680 -10.935 1.00 31.13 S ATOM 517 CE MET A 26 10.062 -7.747 -9.653 1.00 21.02 C ATOM 0 H MET A 26 12.570 -5.665 -14.433 1.00 41.02 H new ATOM 0 HA MET A 26 14.360 -6.951 -12.553 1.00 62.31 H new ATOM 0 HB2 MET A 26 11.558 -7.111 -13.407 1.00 71.10 H new ATOM 0 HB3 MET A 26 12.281 -8.700 -13.251 1.00 71.10 H new ATOM 0 HG2 MET A 26 12.133 -8.607 -11.019 1.00 62.24 H new ATOM 0 HG3 MET A 26 13.067 -7.125 -10.975 1.00 62.24 H new ATOM 0 HE1 MET A 26 9.145 -7.315 -9.252 1.00 21.02 H new ATOM 0 HE2 MET A 26 9.847 -8.730 -10.072 1.00 21.02 H new ATOM 0 HE3 MET A 26 10.796 -7.846 -8.853 1.00 21.02 H new ATOM 527 N VAL A 27 13.609 -8.583 -15.331 1.00 55.11 N ATOM 528 CA VAL A 27 14.126 -9.537 -16.303 1.00 73.22 C ATOM 529 C VAL A 27 15.118 -8.873 -17.251 1.00 52.53 C ATOM 530 O VAL A 27 14.906 -7.745 -17.697 1.00 4.11 O ATOM 531 CB VAL A 27 12.989 -10.170 -17.128 1.00 42.31 C ATOM 532 CG1 VAL A 27 13.524 -11.299 -17.996 1.00 52.52 C ATOM 533 CG2 VAL A 27 11.881 -10.669 -16.213 1.00 62.22 C ATOM 0 H VAL A 27 12.629 -8.335 -15.464 1.00 55.11 H new ATOM 0 HA VAL A 27 14.635 -10.319 -15.739 1.00 73.22 H new ATOM 0 HB VAL A 27 12.571 -9.406 -17.784 1.00 42.31 H new ATOM 0 HG11 VAL A 27 12.707 -11.734 -18.571 1.00 52.52 H new ATOM 0 HG12 VAL A 27 14.279 -10.907 -18.677 1.00 52.52 H new ATOM 0 HG13 VAL A 27 13.970 -12.066 -17.362 1.00 52.52 H new ATOM 0 HG21 VAL A 27 11.086 -11.113 -16.813 1.00 62.22 H new ATOM 0 HG22 VAL A 27 12.282 -11.418 -15.531 1.00 62.22 H new ATOM 0 HG23 VAL A 27 11.479 -9.834 -15.639 1.00 62.22 H new ATOM 543 N ILE A 28 16.201 -9.580 -17.556 1.00 30.35 N ATOM 544 CA ILE A 28 17.226 -9.059 -18.453 1.00 74.31 C ATOM 545 C ILE A 28 17.438 -9.989 -19.643 1.00 34.55 C ATOM 546 O ILE A 28 17.459 -11.210 -19.495 1.00 24.32 O ATOM 547 CB ILE A 28 18.567 -8.865 -17.721 1.00 52.42 C ATOM 548 CG1 ILE A 28 18.378 -7.972 -16.493 1.00 71.25 C ATOM 549 CG2 ILE A 28 19.602 -8.267 -18.664 1.00 15.11 C ATOM 550 CD1 ILE A 28 17.899 -6.577 -16.829 1.00 33.35 C ATOM 0 H ILE A 28 16.392 -10.515 -17.195 1.00 30.35 H new ATOM 0 HA ILE A 28 16.873 -8.091 -18.810 1.00 74.31 H new ATOM 0 HB ILE A 28 18.927 -9.838 -17.387 1.00 52.42 H new ATOM 0 HG12 ILE A 28 17.661 -8.441 -15.819 1.00 71.25 H new ATOM 0 HG13 ILE A 28 19.323 -7.903 -15.955 1.00 71.25 H new ATOM 0 HG21 ILE A 28 20.545 -8.135 -18.133 1.00 15.11 H new ATOM 0 HG22 ILE A 28 19.753 -8.937 -19.511 1.00 15.11 H new ATOM 0 HG23 ILE A 28 19.250 -7.300 -19.024 1.00 15.11 H new ATOM 0 HD11 ILE A 28 17.787 -6.000 -15.911 1.00 33.35 H new ATOM 0 HD12 ILE A 28 18.626 -6.089 -17.478 1.00 33.35 H new ATOM 0 HD13 ILE A 28 16.938 -6.636 -17.340 1.00 33.35 H new ATOM 562 N GLY A 29 17.597 -9.401 -20.825 1.00 61.11 N ATOM 563 CA GLY A 29 17.808 -10.191 -22.024 1.00 53.21 C ATOM 564 C GLY A 29 16.507 -10.643 -22.657 1.00 32.45 C ATOM 565 O GLY A 29 16.323 -11.827 -22.937 1.00 15.20 O ATOM 0 H GLY A 29 17.583 -8.392 -20.973 1.00 61.11 H new ATOM 0 HA2 GLY A 29 18.375 -9.605 -22.747 1.00 53.21 H new ATOM 0 HA3 GLY A 29 18.412 -11.065 -21.778 1.00 53.21 H new ATOM 569 N VAL A 30 15.600 -9.697 -22.881 1.00 52.01 N ATOM 570 CA VAL A 30 14.309 -10.004 -23.485 1.00 11.52 C ATOM 571 C VAL A 30 13.977 -9.021 -24.602 1.00 54.14 C ATOM 572 O VAL A 30 13.805 -7.825 -24.362 1.00 71.04 O ATOM 573 CB VAL A 30 13.179 -9.975 -22.438 1.00 5.23 C ATOM 574 CG1 VAL A 30 13.265 -11.188 -21.525 1.00 70.31 C ATOM 575 CG2 VAL A 30 13.233 -8.685 -21.632 1.00 61.54 C ATOM 0 H VAL A 30 15.736 -8.712 -22.653 1.00 52.01 H new ATOM 0 HA VAL A 30 14.385 -11.009 -23.900 1.00 11.52 H new ATOM 0 HB VAL A 30 12.223 -10.011 -22.960 1.00 5.23 H new ATOM 0 HG11 VAL A 30 12.459 -11.150 -20.792 1.00 70.31 H new ATOM 0 HG12 VAL A 30 13.173 -12.097 -22.119 1.00 70.31 H new ATOM 0 HG13 VAL A 30 14.225 -11.187 -21.009 1.00 70.31 H new ATOM 0 HG21 VAL A 30 12.428 -8.681 -20.897 1.00 61.54 H new ATOM 0 HG22 VAL A 30 14.192 -8.616 -21.119 1.00 61.54 H new ATOM 0 HG23 VAL A 30 13.117 -7.833 -22.301 1.00 61.54 H new ATOM 585 N THR A 31 13.887 -9.533 -25.826 1.00 72.23 N ATOM 586 CA THR A 31 13.576 -8.702 -26.981 1.00 63.03 C ATOM 587 C THR A 31 12.527 -9.363 -27.868 1.00 3.21 C ATOM 588 O THR A 31 12.496 -10.587 -28.002 1.00 11.14 O ATOM 589 CB THR A 31 14.836 -8.415 -27.821 1.00 11.54 C ATOM 590 OG1 THR A 31 15.324 -9.628 -28.404 1.00 34.42 O ATOM 591 CG2 THR A 31 15.923 -7.782 -26.966 1.00 42.14 C ATOM 0 H THR A 31 14.025 -10.520 -26.042 1.00 72.23 H new ATOM 0 HA THR A 31 13.182 -7.761 -26.597 1.00 63.03 H new ATOM 0 HB THR A 31 14.567 -7.716 -28.613 1.00 11.54 H new ATOM 0 HG1 THR A 31 16.124 -9.436 -28.937 1.00 34.42 H new ATOM 0 HG21 THR A 31 16.802 -7.588 -27.580 1.00 42.14 H new ATOM 0 HG22 THR A 31 15.558 -6.843 -26.549 1.00 42.14 H new ATOM 0 HG23 THR A 31 16.189 -8.460 -26.155 1.00 42.14 H new ATOM 599 N ILE A 32 11.672 -8.547 -28.474 1.00 25.03 N ATOM 600 CA ILE A 32 10.623 -9.053 -29.350 1.00 31.04 C ATOM 601 C ILE A 32 11.211 -9.875 -30.492 1.00 54.00 C ATOM 602 O ILE A 32 12.150 -9.460 -31.169 1.00 41.14 O ATOM 603 CB ILE A 32 9.778 -7.907 -29.938 1.00 62.22 C ATOM 604 CG1 ILE A 32 8.587 -8.470 -30.715 1.00 31.03 C ATOM 605 CG2 ILE A 32 10.634 -7.025 -30.836 1.00 31.54 C ATOM 606 CD1 ILE A 32 7.364 -8.706 -29.857 1.00 12.12 C ATOM 0 H ILE A 32 11.685 -7.532 -28.374 1.00 25.03 H new ATOM 0 HA ILE A 32 9.981 -9.689 -28.740 1.00 31.04 H new ATOM 0 HB ILE A 32 9.398 -7.297 -29.118 1.00 62.22 H new ATOM 0 HG12 ILE A 32 8.329 -7.781 -31.519 1.00 31.03 H new ATOM 0 HG13 ILE A 32 8.880 -9.410 -31.183 1.00 31.03 H new ATOM 0 HG21 ILE A 32 10.023 -6.220 -31.244 1.00 31.54 H new ATOM 0 HG22 ILE A 32 11.453 -6.601 -30.255 1.00 31.54 H new ATOM 0 HG23 ILE A 32 11.040 -7.622 -31.653 1.00 31.54 H new ATOM 0 HD11 ILE A 32 6.559 -9.105 -30.473 1.00 12.12 H new ATOM 0 HD12 ILE A 32 7.605 -9.419 -29.068 1.00 12.12 H new ATOM 0 HD13 ILE A 32 7.046 -7.764 -29.410 1.00 12.12 H new ATOM 618 N PRO A 33 10.643 -11.069 -30.714 1.00 73.22 N ATOM 619 CA PRO A 33 11.092 -11.975 -31.776 1.00 44.21 C ATOM 620 C PRO A 33 10.756 -11.448 -33.167 1.00 64.14 C ATOM 621 O PRO A 33 9.649 -11.646 -33.667 1.00 65.54 O ATOM 622 CB PRO A 33 10.319 -13.265 -31.493 1.00 73.01 C ATOM 623 CG PRO A 33 9.101 -12.824 -30.758 1.00 31.11 C ATOM 624 CD PRO A 33 9.517 -11.629 -29.946 1.00 21.41 C ATOM 0 HA PRO A 33 12.175 -12.101 -31.773 1.00 44.21 H new ATOM 0 HB2 PRO A 33 10.058 -13.781 -32.417 1.00 73.01 H new ATOM 0 HB3 PRO A 33 10.912 -13.959 -30.897 1.00 73.01 H new ATOM 0 HG2 PRO A 33 8.300 -12.566 -31.450 1.00 31.11 H new ATOM 0 HG3 PRO A 33 8.723 -13.620 -30.116 1.00 31.11 H new ATOM 0 HD2 PRO A 33 8.704 -10.910 -29.843 1.00 21.41 H new ATOM 0 HD3 PRO A 33 9.820 -11.914 -28.938 1.00 21.41 H new ATOM 632 N PHE A 34 11.720 -10.776 -33.788 1.00 4.44 N ATOM 633 CA PHE A 34 11.527 -10.219 -35.122 1.00 53.24 C ATOM 634 C PHE A 34 12.647 -10.657 -36.062 1.00 32.12 C ATOM 635 O PHE A 34 12.632 -11.771 -36.582 1.00 61.22 O ATOM 636 CB PHE A 34 11.468 -8.692 -35.058 1.00 21.44 C ATOM 637 CG PHE A 34 10.158 -8.122 -35.523 1.00 30.32 C ATOM 638 CD1 PHE A 34 9.952 -7.825 -36.860 1.00 63.53 C ATOM 639 CD2 PHE A 34 9.133 -7.883 -34.622 1.00 51.21 C ATOM 640 CE1 PHE A 34 8.748 -7.300 -37.290 1.00 63.43 C ATOM 641 CE2 PHE A 34 7.927 -7.358 -35.046 1.00 53.44 C ATOM 642 CZ PHE A 34 7.735 -7.068 -36.383 1.00 15.11 C ATOM 0 H PHE A 34 12.643 -10.604 -33.389 1.00 4.44 H new ATOM 0 HA PHE A 34 10.581 -10.596 -35.511 1.00 53.24 H new ATOM 0 HB2 PHE A 34 11.650 -8.372 -34.032 1.00 21.44 H new ATOM 0 HB3 PHE A 34 12.272 -8.280 -35.668 1.00 21.44 H new ATOM 0 HD1 PHE A 34 10.741 -8.006 -37.575 1.00 63.53 H new ATOM 0 HD2 PHE A 34 9.278 -8.110 -33.576 1.00 51.21 H new ATOM 0 HE1 PHE A 34 8.600 -7.072 -38.335 1.00 63.43 H new ATOM 0 HE2 PHE A 34 7.136 -7.175 -34.334 1.00 53.44 H new ATOM 0 HZ PHE A 34 6.793 -6.660 -36.718 1.00 15.11 H new TER 652 PHE A 34