USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 508 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 36 THR OG1 : rot 84:sc= 1.13 USER MOD Set 1.2: A 38 THR OG1 : rot 180:sc= 1.13 USER MOD Set 2.1: A 28 LYS NZ :NH3+ -178:sc= 0.318 (180deg=0.214) USER MOD Set 2.2: A 46 TYR OH : rot -132:sc= 0.53 USER MOD Set 3.1: A 15 HIS :FLIP no HD1:sc= -2.16 F(o=-4.6!,f=-3.8) USER MOD Set 3.2: A 19 THR OG1 : rot 70:sc= -1.6 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0138 (180deg=-0.206) USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.119 (180deg=-0.698) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.38) USER MOD Single : A 39 SER OG : rot -140:sc=-0.000256 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.35) USER MOD Single : A 54 THR OG1 : rot -140:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.640 11.457 8.112 1.00 0.00 N ATOM 2 CA MET A 1 9.496 10.421 7.470 1.00 0.00 C ATOM 3 C MET A 1 9.220 9.061 8.121 1.00 0.00 C ATOM 4 O MET A 1 10.097 8.230 8.245 1.00 0.00 O ATOM 5 CB MET A 1 10.973 10.796 7.653 1.00 0.00 C ATOM 6 CG MET A 1 11.830 10.063 6.616 1.00 0.00 C ATOM 7 SD MET A 1 13.553 10.593 6.774 1.00 0.00 S ATOM 8 CE MET A 1 14.248 9.477 5.531 1.00 0.00 C ATOM 0 H1 MET A 1 8.963 12.402 7.822 1.00 0.00 H new ATOM 0 H2 MET A 1 7.652 11.323 7.816 1.00 0.00 H new ATOM 0 H3 MET A 1 8.707 11.370 9.146 1.00 0.00 H new ATOM 0 HA MET A 1 9.269 10.363 6.405 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.100 11.873 7.546 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.301 10.535 8.659 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.755 8.986 6.763 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.464 10.274 5.611 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.324 9.636 5.460 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.052 8.444 5.819 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.787 9.678 4.564 1.00 0.00 H new ATOM 20 N VAL A 2 8.002 8.829 8.540 1.00 0.00 N ATOM 21 CA VAL A 2 7.661 7.524 9.186 1.00 0.00 C ATOM 22 C VAL A 2 6.239 7.113 8.784 1.00 0.00 C ATOM 23 O VAL A 2 5.289 7.357 9.501 1.00 0.00 O ATOM 24 CB VAL A 2 7.743 7.676 10.714 1.00 0.00 C ATOM 25 CG1 VAL A 2 9.205 7.599 11.166 1.00 0.00 C ATOM 26 CG2 VAL A 2 7.160 9.030 11.136 1.00 0.00 C ATOM 0 H VAL A 2 7.227 9.488 8.463 1.00 0.00 H new ATOM 0 HA VAL A 2 8.364 6.758 8.860 1.00 0.00 H new ATOM 0 HB VAL A 2 7.172 6.872 11.178 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.257 7.707 12.249 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.625 6.636 10.877 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.775 8.399 10.694 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.221 9.131 12.220 1.00 0.00 H new ATOM 0 HG22 VAL A 2 7.726 9.833 10.664 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.117 9.090 10.825 1.00 0.00 H new ATOM 36 N ARG A 3 6.079 6.485 7.648 1.00 0.00 N ATOM 37 CA ARG A 3 4.713 6.063 7.227 1.00 0.00 C ATOM 38 C ARG A 3 4.280 4.855 8.065 1.00 0.00 C ATOM 39 O ARG A 3 3.290 4.215 7.778 1.00 0.00 O ATOM 40 CB ARG A 3 4.735 5.684 5.737 1.00 0.00 C ATOM 41 CG ARG A 3 4.598 6.943 4.876 1.00 0.00 C ATOM 42 CD ARG A 3 5.703 7.938 5.237 1.00 0.00 C ATOM 43 NE ARG A 3 5.748 9.020 4.214 1.00 0.00 N ATOM 44 CZ ARG A 3 6.391 10.128 4.464 1.00 0.00 C ATOM 45 NH1 ARG A 3 6.994 10.289 5.610 1.00 0.00 N ATOM 46 NH2 ARG A 3 6.432 11.075 3.567 1.00 0.00 N ATOM 0 H ARG A 3 6.830 6.248 6.999 1.00 0.00 H new ATOM 0 HA ARG A 3 4.008 6.880 7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.665 5.169 5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 3 3.922 4.992 5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.662 6.682 3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 3 3.620 7.398 5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.517 8.363 6.224 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.665 7.428 5.286 1.00 0.00 H new ATOM 0 HE ARG A 3 5.276 8.895 3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.963 9.549 6.311 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.496 11.155 5.805 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.962 10.949 2.671 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.934 11.941 3.762 1.00 0.00 H new ATOM 60 N GLN A 4 5.023 4.540 9.094 1.00 0.00 N ATOM 61 CA GLN A 4 4.679 3.363 9.950 1.00 0.00 C ATOM 62 C GLN A 4 3.165 3.272 10.190 1.00 0.00 C ATOM 63 O GLN A 4 2.617 2.192 10.306 1.00 0.00 O ATOM 64 CB GLN A 4 5.393 3.500 11.298 1.00 0.00 C ATOM 65 CG GLN A 4 6.902 3.601 11.069 1.00 0.00 C ATOM 66 CD GLN A 4 7.622 3.621 12.419 1.00 0.00 C ATOM 67 OE1 GLN A 4 6.963 3.964 13.491 1.00 0.00 O flip ATOM 68 NE2 GLN A 4 8.797 3.322 12.498 1.00 0.00 N flip ATOM 0 H GLN A 4 5.859 5.050 9.381 1.00 0.00 H new ATOM 0 HA GLN A 4 5.000 2.457 9.436 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.034 4.385 11.823 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.167 2.641 11.930 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.248 2.756 10.473 1.00 0.00 H new ATOM 0 HG3 GLN A 4 7.136 4.505 10.507 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.312 3.054 11.660 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.268 3.339 13.403 1.00 0.00 H new ATOM 77 N GLU A 5 2.478 4.380 10.267 1.00 0.00 N ATOM 78 CA GLU A 5 1.000 4.314 10.502 1.00 0.00 C ATOM 79 C GLU A 5 0.288 3.899 9.211 1.00 0.00 C ATOM 80 O GLU A 5 -0.133 2.769 9.059 1.00 0.00 O ATOM 81 CB GLU A 5 0.497 5.693 10.936 1.00 0.00 C ATOM 82 CG GLU A 5 0.932 5.966 12.377 1.00 0.00 C ATOM 83 CD GLU A 5 2.458 6.056 12.442 1.00 0.00 C ATOM 84 OE1 GLU A 5 3.011 6.902 11.759 1.00 0.00 O ATOM 85 OE2 GLU A 5 3.047 5.276 13.173 1.00 0.00 O ATOM 0 H GLU A 5 2.867 5.319 10.179 1.00 0.00 H new ATOM 0 HA GLU A 5 0.790 3.581 11.281 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.895 6.462 10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.589 5.736 10.859 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.487 6.895 12.732 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.576 5.171 13.032 1.00 0.00 H new ATOM 92 N GLU A 6 0.141 4.806 8.287 1.00 0.00 N ATOM 93 CA GLU A 6 -0.553 4.467 7.009 1.00 0.00 C ATOM 94 C GLU A 6 0.022 3.170 6.420 1.00 0.00 C ATOM 95 O GLU A 6 -0.703 2.339 5.910 1.00 0.00 O ATOM 96 CB GLU A 6 -0.393 5.626 6.013 1.00 0.00 C ATOM 97 CG GLU A 6 1.048 5.684 5.476 1.00 0.00 C ATOM 98 CD GLU A 6 1.212 4.706 4.313 1.00 0.00 C ATOM 99 OE1 GLU A 6 0.374 4.719 3.427 1.00 0.00 O ATOM 100 OE2 GLU A 6 2.174 3.962 4.331 1.00 0.00 O ATOM 0 H GLU A 6 0.471 5.769 8.359 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.614 4.313 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.091 5.500 5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.643 6.568 6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.282 6.696 5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.751 5.437 6.271 1.00 0.00 H new ATOM 107 N LEU A 7 1.313 2.980 6.497 1.00 0.00 N ATOM 108 CA LEU A 7 1.921 1.726 5.951 1.00 0.00 C ATOM 109 C LEU A 7 1.171 0.520 6.527 1.00 0.00 C ATOM 110 O LEU A 7 0.771 -0.377 5.813 1.00 0.00 O ATOM 111 CB LEU A 7 3.394 1.663 6.375 1.00 0.00 C ATOM 112 CG LEU A 7 4.170 0.629 5.544 1.00 0.00 C ATOM 113 CD1 LEU A 7 5.665 0.775 5.851 1.00 0.00 C ATOM 114 CD2 LEU A 7 3.709 -0.805 5.875 1.00 0.00 C ATOM 0 H LEU A 7 1.973 3.636 6.913 1.00 0.00 H new ATOM 0 HA LEU A 7 1.852 1.715 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.851 2.645 6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.460 1.406 7.432 1.00 0.00 H new ATOM 0 HG LEU A 7 3.980 0.808 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.229 0.047 5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.993 1.781 5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.837 0.601 6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.274 -1.517 5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.880 -1.007 6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.646 -0.906 5.654 1.00 0.00 H new ATOM 126 N ALA A 8 0.985 0.497 7.819 1.00 0.00 N ATOM 127 CA ALA A 8 0.271 -0.647 8.457 1.00 0.00 C ATOM 128 C ALA A 8 -1.121 -0.830 7.835 1.00 0.00 C ATOM 129 O ALA A 8 -1.602 -1.936 7.676 1.00 0.00 O ATOM 130 CB ALA A 8 0.120 -0.372 9.954 1.00 0.00 C ATOM 0 H ALA A 8 1.298 1.224 8.463 1.00 0.00 H new ATOM 0 HA ALA A 8 0.850 -1.557 8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.401 -1.205 10.426 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.106 -0.259 10.404 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.453 0.544 10.100 1.00 0.00 H new ATOM 136 N ALA A 9 -1.784 0.242 7.503 1.00 0.00 N ATOM 137 CA ALA A 9 -3.153 0.125 6.919 1.00 0.00 C ATOM 138 C ALA A 9 -3.089 -0.323 5.453 1.00 0.00 C ATOM 139 O ALA A 9 -3.955 -1.030 4.977 1.00 0.00 O ATOM 140 CB ALA A 9 -3.852 1.483 7.007 1.00 0.00 C ATOM 0 H ALA A 9 -1.439 1.196 7.610 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.710 -0.624 7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.853 1.405 6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.924 1.788 8.051 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.278 2.224 6.451 1.00 0.00 H new ATOM 146 N ALA A 10 -2.087 0.091 4.728 1.00 0.00 N ATOM 147 CA ALA A 10 -1.992 -0.302 3.289 1.00 0.00 C ATOM 148 C ALA A 10 -1.871 -1.825 3.155 1.00 0.00 C ATOM 149 O ALA A 10 -2.576 -2.455 2.382 1.00 0.00 O ATOM 150 CB ALA A 10 -0.762 0.359 2.665 1.00 0.00 C ATOM 0 H ALA A 10 -1.329 0.684 5.067 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.895 0.026 2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.689 0.075 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.853 1.442 2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.134 0.032 3.192 1.00 0.00 H new ATOM 156 N ARG A 11 -0.983 -2.428 3.893 1.00 0.00 N ATOM 157 CA ARG A 11 -0.827 -3.901 3.788 1.00 0.00 C ATOM 158 C ARG A 11 -2.135 -4.565 4.223 1.00 0.00 C ATOM 159 O ARG A 11 -2.556 -5.560 3.664 1.00 0.00 O ATOM 160 CB ARG A 11 0.354 -4.373 4.657 1.00 0.00 C ATOM 161 CG ARG A 11 -0.053 -4.439 6.135 1.00 0.00 C ATOM 162 CD ARG A 11 1.188 -4.309 7.026 1.00 0.00 C ATOM 163 NE ARG A 11 0.777 -4.333 8.458 1.00 0.00 N ATOM 164 CZ ARG A 11 1.668 -4.537 9.389 1.00 0.00 C ATOM 165 NH1 ARG A 11 2.921 -4.718 9.066 1.00 0.00 N ATOM 166 NH2 ARG A 11 1.308 -4.561 10.643 1.00 0.00 N ATOM 0 H ARG A 11 -0.363 -1.967 4.559 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.610 -4.183 2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.689 -5.355 4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.196 -3.691 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.759 -3.641 6.362 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.561 -5.382 6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.882 -5.124 6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.713 -3.380 6.803 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.201 -4.190 8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.203 -4.700 8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.617 -4.877 9.794 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.330 -4.420 10.896 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.005 -4.721 11.371 1.00 0.00 H new ATOM 180 N ALA A 12 -2.796 -4.007 5.202 1.00 0.00 N ATOM 181 CA ALA A 12 -4.087 -4.595 5.646 1.00 0.00 C ATOM 182 C ALA A 12 -5.013 -4.686 4.434 1.00 0.00 C ATOM 183 O ALA A 12 -5.847 -5.564 4.335 1.00 0.00 O ATOM 184 CB ALA A 12 -4.723 -3.701 6.714 1.00 0.00 C ATOM 0 H ALA A 12 -2.498 -3.174 5.709 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.922 -5.585 6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.669 -4.136 7.036 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.051 -3.620 7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.902 -2.709 6.299 1.00 0.00 H new ATOM 190 N ALA A 13 -4.856 -3.783 3.501 1.00 0.00 N ATOM 191 CA ALA A 13 -5.706 -3.811 2.279 1.00 0.00 C ATOM 192 C ALA A 13 -5.370 -5.069 1.472 1.00 0.00 C ATOM 193 O ALA A 13 -6.246 -5.762 0.994 1.00 0.00 O ATOM 194 CB ALA A 13 -5.427 -2.562 1.438 1.00 0.00 C ATOM 0 H ALA A 13 -4.173 -3.026 3.535 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.760 -3.825 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.048 -2.580 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.658 -1.671 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.376 -2.545 1.150 1.00 0.00 H new ATOM 200 N LEU A 14 -4.105 -5.376 1.327 1.00 0.00 N ATOM 201 CA LEU A 14 -3.724 -6.603 0.558 1.00 0.00 C ATOM 202 C LEU A 14 -4.501 -7.800 1.116 1.00 0.00 C ATOM 203 O LEU A 14 -4.855 -8.713 0.398 1.00 0.00 O ATOM 204 CB LEU A 14 -2.204 -6.841 0.690 1.00 0.00 C ATOM 205 CG LEU A 14 -1.809 -8.250 0.211 1.00 0.00 C ATOM 206 CD1 LEU A 14 -2.207 -8.441 -1.253 1.00 0.00 C ATOM 207 CD2 LEU A 14 -0.292 -8.411 0.341 1.00 0.00 C ATOM 0 H LEU A 14 -3.325 -4.837 1.703 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.968 -6.476 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.666 -6.093 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.903 -6.712 1.730 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.323 -8.993 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.922 -9.441 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.285 -8.319 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.697 -7.699 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.002 -9.406 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.207 -7.660 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.000 -8.281 1.383 1.00 0.00 H new ATOM 219 N HIS A 15 -4.759 -7.809 2.396 1.00 0.00 N ATOM 220 CA HIS A 15 -5.497 -8.953 3.000 1.00 0.00 C ATOM 221 C HIS A 15 -6.981 -8.869 2.686 1.00 0.00 C ATOM 222 O HIS A 15 -7.582 -9.827 2.247 1.00 0.00 O ATOM 223 CB HIS A 15 -5.299 -8.940 4.516 1.00 0.00 C ATOM 224 CG HIS A 15 -5.905 -10.181 5.112 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.559 -11.507 5.019 1.00 0.00 N flip ATOM 226 CD2 HIS A 15 -7.025 -10.139 5.927 1.00 0.00 C flip ATOM 227 CE1 HIS A 15 -6.448 -12.276 5.764 1.00 0.00 C flip ATOM 228 NE2 HIS A 15 -7.311 -11.403 6.289 1.00 0.00 N flip ATOM 0 H HIS A 15 -4.490 -7.073 3.049 1.00 0.00 H new ATOM 0 HA HIS A 15 -5.106 -9.879 2.578 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.236 -8.891 4.754 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.764 -8.053 4.946 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.569 -9.253 6.219 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.441 -13.349 5.890 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.092 -11.663 6.891 1.00 0.00 H new ATOM 236 N ASP A 16 -7.593 -7.757 2.935 1.00 0.00 N ATOM 237 CA ASP A 16 -9.049 -7.666 2.685 1.00 0.00 C ATOM 238 C ASP A 16 -9.371 -7.792 1.191 1.00 0.00 C ATOM 239 O ASP A 16 -10.441 -8.238 0.824 1.00 0.00 O ATOM 240 CB ASP A 16 -9.582 -6.335 3.216 1.00 0.00 C ATOM 241 CG ASP A 16 -11.109 -6.327 3.137 1.00 0.00 C ATOM 242 OD1 ASP A 16 -11.714 -7.271 3.621 1.00 0.00 O ATOM 243 OD2 ASP A 16 -11.650 -5.378 2.593 1.00 0.00 O ATOM 0 H ASP A 16 -7.154 -6.911 3.298 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.532 -8.493 3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.260 -6.188 4.247 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.173 -5.509 2.634 1.00 0.00 H new ATOM 248 N LEU A 17 -8.481 -7.400 0.320 1.00 0.00 N ATOM 249 CA LEU A 17 -8.798 -7.507 -1.142 1.00 0.00 C ATOM 250 C LEU A 17 -8.634 -8.957 -1.623 1.00 0.00 C ATOM 251 O LEU A 17 -9.330 -9.391 -2.520 1.00 0.00 O ATOM 252 CB LEU A 17 -7.887 -6.583 -1.981 1.00 0.00 C ATOM 253 CG LEU A 17 -8.349 -5.118 -1.883 1.00 0.00 C ATOM 254 CD1 LEU A 17 -7.347 -4.230 -2.633 1.00 0.00 C ATOM 255 CD2 LEU A 17 -9.755 -4.943 -2.506 1.00 0.00 C ATOM 0 H LEU A 17 -7.563 -7.017 0.546 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.833 -7.194 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.858 -6.668 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.899 -6.903 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.398 -4.832 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.665 -3.189 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.360 -4.336 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.304 -4.533 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.061 -3.900 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.726 -5.233 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.469 -5.573 -1.975 1.00 0.00 H new ATOM 267 N MET A 18 -7.718 -9.711 -1.055 1.00 0.00 N ATOM 268 CA MET A 18 -7.513 -11.128 -1.506 1.00 0.00 C ATOM 269 C MET A 18 -8.102 -12.109 -0.485 1.00 0.00 C ATOM 270 O MET A 18 -8.128 -13.302 -0.706 1.00 0.00 O ATOM 271 CB MET A 18 -6.008 -11.380 -1.676 1.00 0.00 C ATOM 272 CG MET A 18 -5.769 -12.606 -2.563 1.00 0.00 C ATOM 273 SD MET A 18 -6.252 -12.223 -4.266 1.00 0.00 S ATOM 274 CE MET A 18 -5.043 -13.288 -5.091 1.00 0.00 C ATOM 0 H MET A 18 -7.104 -9.406 -0.299 1.00 0.00 H new ATOM 0 HA MET A 18 -8.024 -11.284 -2.456 1.00 0.00 H new ATOM 0 HB2 MET A 18 -5.534 -10.504 -2.119 1.00 0.00 H new ATOM 0 HB3 MET A 18 -5.546 -11.533 -0.701 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.718 -12.894 -2.528 1.00 0.00 H new ATOM 0 HG3 MET A 18 -6.345 -13.454 -2.192 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.163 -13.206 -6.171 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.036 -12.978 -4.814 1.00 0.00 H new ATOM 0 HE3 MET A 18 -5.201 -14.322 -4.786 1.00 0.00 H new ATOM 284 N THR A 19 -8.579 -11.628 0.633 1.00 0.00 N ATOM 285 CA THR A 19 -9.161 -12.560 1.649 1.00 0.00 C ATOM 286 C THR A 19 -10.665 -12.724 1.414 1.00 0.00 C ATOM 287 O THR A 19 -11.256 -13.708 1.814 1.00 0.00 O ATOM 288 CB THR A 19 -8.933 -12.002 3.054 1.00 0.00 C ATOM 289 OG1 THR A 19 -7.538 -11.918 3.311 1.00 0.00 O ATOM 290 CG2 THR A 19 -9.583 -12.933 4.072 1.00 0.00 C ATOM 0 H THR A 19 -8.592 -10.640 0.887 1.00 0.00 H new ATOM 0 HA THR A 19 -8.672 -13.529 1.554 1.00 0.00 H new ATOM 0 HB THR A 19 -9.374 -11.008 3.131 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.147 -11.207 2.762 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.424 -12.541 5.077 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.653 -13.000 3.873 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.137 -13.925 3.995 1.00 0.00 H new ATOM 298 N GLY A 20 -11.294 -11.778 0.774 1.00 0.00 N ATOM 299 CA GLY A 20 -12.760 -11.901 0.528 1.00 0.00 C ATOM 300 C GLY A 20 -13.291 -10.611 -0.098 1.00 0.00 C ATOM 301 O GLY A 20 -13.502 -10.533 -1.292 1.00 0.00 O ATOM 0 H GLY A 20 -10.860 -10.929 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.957 -12.745 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.280 -12.102 1.465 1.00 0.00 H new ATOM 305 N LYS A 21 -13.513 -9.598 0.697 1.00 0.00 N ATOM 306 CA LYS A 21 -14.034 -8.314 0.143 1.00 0.00 C ATOM 307 C LYS A 21 -13.229 -7.933 -1.100 1.00 0.00 C ATOM 308 O LYS A 21 -12.018 -7.992 -1.106 1.00 0.00 O ATOM 309 CB LYS A 21 -13.901 -7.211 1.196 1.00 0.00 C ATOM 310 CG LYS A 21 -14.422 -7.722 2.541 1.00 0.00 C ATOM 311 CD LYS A 21 -14.626 -6.542 3.492 1.00 0.00 C ATOM 312 CE LYS A 21 -15.045 -7.062 4.868 1.00 0.00 C ATOM 313 NZ LYS A 21 -16.241 -7.938 4.724 1.00 0.00 N ATOM 0 H LYS A 21 -13.356 -9.604 1.705 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.084 -8.433 -0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.858 -6.907 1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.463 -6.330 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.362 -8.255 2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.715 -8.431 2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.705 -5.965 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.389 -5.871 3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.226 -7.619 5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.270 -6.227 5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.717 -8.030 5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.898 -7.518 4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.945 -8.878 4.392 1.00 0.00 H new ATOM 327 N ARG A 22 -13.894 -7.553 -2.158 1.00 0.00 N ATOM 328 CA ARG A 22 -13.169 -7.176 -3.409 1.00 0.00 C ATOM 329 C ARG A 22 -12.907 -5.667 -3.425 1.00 0.00 C ATOM 330 O ARG A 22 -12.117 -5.179 -4.210 1.00 0.00 O ATOM 331 CB ARG A 22 -14.026 -7.549 -4.622 1.00 0.00 C ATOM 332 CG ARG A 22 -14.362 -9.047 -4.581 1.00 0.00 C ATOM 333 CD ARG A 22 -13.086 -9.888 -4.751 1.00 0.00 C ATOM 334 NE ARG A 22 -12.442 -10.088 -3.424 1.00 0.00 N ATOM 335 CZ ARG A 22 -11.525 -11.005 -3.275 1.00 0.00 C ATOM 336 NH1 ARG A 22 -11.170 -11.744 -4.290 1.00 0.00 N ATOM 337 NH2 ARG A 22 -10.961 -11.181 -2.111 1.00 0.00 N ATOM 0 H ARG A 22 -14.910 -7.487 -2.211 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.219 -7.708 -3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.944 -6.961 -4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.493 -7.312 -5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.843 -9.292 -3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.072 -9.289 -5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.330 -10.852 -5.198 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.396 -9.388 -5.430 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.717 -9.508 -2.631 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.609 -11.605 -5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.453 -12.460 -4.173 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.237 -10.602 -1.318 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.244 -11.898 -1.995 1.00 0.00 H new ATOM 351 N VAL A 23 -13.576 -4.922 -2.576 1.00 0.00 N ATOM 352 CA VAL A 23 -13.387 -3.435 -2.547 1.00 0.00 C ATOM 353 C VAL A 23 -12.674 -3.008 -1.259 1.00 0.00 C ATOM 354 O VAL A 23 -12.818 -3.618 -0.218 1.00 0.00 O ATOM 355 CB VAL A 23 -14.757 -2.759 -2.609 1.00 0.00 C ATOM 356 CG1 VAL A 23 -14.583 -1.240 -2.605 1.00 0.00 C ATOM 357 CG2 VAL A 23 -15.477 -3.186 -3.889 1.00 0.00 C ATOM 0 H VAL A 23 -14.248 -5.282 -1.898 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.778 -3.138 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.346 -3.056 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -15.561 -0.762 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.071 -0.935 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.993 -0.939 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -16.454 -2.705 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -14.886 -2.890 -4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.605 -4.268 -3.891 1.00 0.00 H new ATOM 367 N ALA A 24 -11.916 -1.945 -1.331 1.00 0.00 N ATOM 368 CA ALA A 24 -11.191 -1.431 -0.131 1.00 0.00 C ATOM 369 C ALA A 24 -11.011 0.081 -0.294 1.00 0.00 C ATOM 370 O ALA A 24 -10.974 0.588 -1.398 1.00 0.00 O ATOM 371 CB ALA A 24 -9.818 -2.104 -0.016 1.00 0.00 C ATOM 0 H ALA A 24 -11.767 -1.404 -2.183 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.761 -1.652 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.298 -1.722 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.948 -3.182 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.231 -1.887 -0.908 1.00 0.00 H new ATOM 377 N THR A 25 -10.913 0.810 0.790 1.00 0.00 N ATOM 378 CA THR A 25 -10.753 2.297 0.687 1.00 0.00 C ATOM 379 C THR A 25 -9.737 2.789 1.725 1.00 0.00 C ATOM 380 O THR A 25 -9.648 2.264 2.817 1.00 0.00 O ATOM 381 CB THR A 25 -12.104 2.963 0.963 1.00 0.00 C ATOM 382 OG1 THR A 25 -12.660 2.423 2.153 1.00 0.00 O ATOM 383 CG2 THR A 25 -13.054 2.705 -0.208 1.00 0.00 C ATOM 0 H THR A 25 -10.937 0.442 1.741 1.00 0.00 H new ATOM 0 HA THR A 25 -10.401 2.552 -0.312 1.00 0.00 H new ATOM 0 HB THR A 25 -11.962 4.037 1.081 1.00 0.00 H new ATOM 0 HG1 THR A 25 -13.524 2.849 2.333 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.015 3.180 -0.009 1.00 0.00 H new ATOM 0 HG22 THR A 25 -12.627 3.119 -1.121 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.199 1.631 -0.330 1.00 0.00 H new ATOM 391 N VAL A 26 -8.985 3.812 1.399 1.00 0.00 N ATOM 392 CA VAL A 26 -7.989 4.364 2.372 1.00 0.00 C ATOM 393 C VAL A 26 -7.947 5.883 2.208 1.00 0.00 C ATOM 394 O VAL A 26 -8.614 6.436 1.356 1.00 0.00 O ATOM 395 CB VAL A 26 -6.595 3.769 2.118 1.00 0.00 C ATOM 396 CG1 VAL A 26 -6.544 2.336 2.648 1.00 0.00 C ATOM 397 CG2 VAL A 26 -6.295 3.765 0.624 1.00 0.00 C ATOM 0 H VAL A 26 -9.018 4.290 0.499 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.286 4.102 3.387 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.851 4.377 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.555 1.916 2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.747 2.337 3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.294 1.732 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.305 3.342 0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.041 3.164 0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.323 4.786 0.244 1.00 0.00 H new ATOM 407 N GLN A 27 -7.181 6.565 3.023 1.00 0.00 N ATOM 408 CA GLN A 27 -7.101 8.058 2.933 1.00 0.00 C ATOM 409 C GLN A 27 -5.660 8.480 2.642 1.00 0.00 C ATOM 410 O GLN A 27 -4.819 8.488 3.518 1.00 0.00 O ATOM 411 CB GLN A 27 -7.547 8.660 4.270 1.00 0.00 C ATOM 412 CG GLN A 27 -9.002 8.273 4.541 1.00 0.00 C ATOM 413 CD GLN A 27 -9.437 8.833 5.896 1.00 0.00 C ATOM 414 OE1 GLN A 27 -9.723 8.087 6.812 1.00 0.00 O ATOM 415 NE2 GLN A 27 -9.500 10.125 6.064 1.00 0.00 N ATOM 0 H GLN A 27 -6.603 6.149 3.753 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.747 8.413 2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.907 8.299 5.075 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.446 9.745 4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.645 8.662 3.752 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.108 7.188 4.533 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.260 10.751 5.296 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.789 10.509 6.964 1.00 0.00 H new ATOM 424 N LYS A 28 -5.376 8.844 1.416 1.00 0.00 N ATOM 425 CA LYS A 28 -3.988 9.285 1.053 1.00 0.00 C ATOM 426 C LYS A 28 -3.975 10.809 0.917 1.00 0.00 C ATOM 427 O LYS A 28 -4.533 11.364 -0.004 1.00 0.00 O ATOM 428 CB LYS A 28 -3.557 8.644 -0.278 1.00 0.00 C ATOM 429 CG LYS A 28 -4.066 7.202 -0.343 1.00 0.00 C ATOM 430 CD LYS A 28 -3.402 6.478 -1.518 1.00 0.00 C ATOM 431 CE LYS A 28 -3.743 4.989 -1.461 1.00 0.00 C ATOM 432 NZ LYS A 28 -3.113 4.382 -0.254 1.00 0.00 N ATOM 0 H LYS A 28 -6.046 8.856 0.647 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.292 8.973 1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.954 9.218 -1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.471 8.661 -0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.843 6.684 0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.149 7.193 -0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.744 6.904 -2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.321 6.616 -1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.824 4.853 -1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.387 4.488 -2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.316 3.362 -0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.084 4.530 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.499 4.830 0.602 1.00 0.00 H new ATOM 446 N ASP A 29 -3.339 11.488 1.829 1.00 0.00 N ATOM 447 CA ASP A 29 -3.292 12.977 1.754 1.00 0.00 C ATOM 448 C ASP A 29 -4.713 13.548 1.609 1.00 0.00 C ATOM 449 O ASP A 29 -4.987 14.324 0.715 1.00 0.00 O ATOM 450 CB ASP A 29 -2.446 13.398 0.546 1.00 0.00 C ATOM 451 CG ASP A 29 -1.088 12.697 0.607 1.00 0.00 C ATOM 452 OD1 ASP A 29 -1.011 11.559 0.175 1.00 0.00 O ATOM 453 OD2 ASP A 29 -0.148 13.310 1.084 1.00 0.00 O ATOM 0 H ASP A 29 -2.849 11.078 2.624 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.847 13.365 2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.960 13.139 -0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.309 14.479 0.543 1.00 0.00 H new ATOM 458 N GLY A 30 -5.615 13.188 2.490 1.00 0.00 N ATOM 459 CA GLY A 30 -7.004 13.729 2.408 1.00 0.00 C ATOM 460 C GLY A 30 -7.697 13.273 1.115 1.00 0.00 C ATOM 461 O GLY A 30 -8.878 13.490 0.937 1.00 0.00 O ATOM 0 H GLY A 30 -5.447 12.543 3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.580 13.395 3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.977 14.818 2.446 1.00 0.00 H new ATOM 465 N ARG A 31 -6.990 12.647 0.203 1.00 0.00 N ATOM 466 CA ARG A 31 -7.650 12.199 -1.065 1.00 0.00 C ATOM 467 C ARG A 31 -8.246 10.804 -0.876 1.00 0.00 C ATOM 468 O ARG A 31 -7.591 9.893 -0.408 1.00 0.00 O ATOM 469 CB ARG A 31 -6.624 12.156 -2.201 1.00 0.00 C ATOM 470 CG ARG A 31 -6.053 13.555 -2.430 1.00 0.00 C ATOM 471 CD ARG A 31 -4.856 13.468 -3.380 1.00 0.00 C ATOM 472 NE ARG A 31 -5.278 12.812 -4.651 1.00 0.00 N ATOM 473 CZ ARG A 31 -4.521 12.895 -5.710 1.00 0.00 C ATOM 474 NH1 ARG A 31 -3.395 13.552 -5.658 1.00 0.00 N ATOM 475 NH2 ARG A 31 -4.892 12.322 -6.823 1.00 0.00 N ATOM 0 H ARG A 31 -5.997 12.429 0.280 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.442 12.904 -1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.822 11.461 -1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.093 11.790 -3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.818 14.207 -2.851 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.746 13.994 -1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.467 14.465 -3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.050 12.901 -2.915 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.158 12.299 -4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.106 14.001 -4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.803 13.617 -6.486 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.773 11.810 -6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.301 12.386 -7.652 1.00 0.00 H new ATOM 489 N ARG A 32 -9.487 10.629 -1.249 1.00 0.00 N ATOM 490 CA ARG A 32 -10.143 9.294 -1.110 1.00 0.00 C ATOM 491 C ARG A 32 -10.059 8.566 -2.462 1.00 0.00 C ATOM 492 O ARG A 32 -10.451 9.098 -3.481 1.00 0.00 O ATOM 493 CB ARG A 32 -11.621 9.503 -0.713 1.00 0.00 C ATOM 494 CG ARG A 32 -12.122 8.320 0.138 1.00 0.00 C ATOM 495 CD ARG A 32 -11.762 8.543 1.611 1.00 0.00 C ATOM 496 NE ARG A 32 -12.720 9.513 2.212 1.00 0.00 N ATOM 497 CZ ARG A 32 -12.801 9.634 3.509 1.00 0.00 C ATOM 498 NH1 ARG A 32 -12.044 8.904 4.280 1.00 0.00 N ATOM 499 NH2 ARG A 32 -13.638 10.486 4.034 1.00 0.00 N ATOM 0 H ARG A 32 -10.079 11.359 -1.647 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.647 8.699 -0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.726 10.432 -0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.234 9.600 -1.609 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.202 8.216 0.031 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.676 7.391 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.796 7.598 2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.743 8.921 1.695 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.313 10.083 1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.389 8.239 3.869 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.107 8.998 5.294 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.229 11.058 3.431 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.701 10.580 5.048 1.00 0.00 H new ATOM 513 N VAL A 33 -9.556 7.357 -2.481 1.00 0.00 N ATOM 514 CA VAL A 33 -9.455 6.599 -3.771 1.00 0.00 C ATOM 515 C VAL A 33 -9.841 5.141 -3.534 1.00 0.00 C ATOM 516 O VAL A 33 -9.529 4.559 -2.514 1.00 0.00 O ATOM 517 CB VAL A 33 -8.023 6.671 -4.318 1.00 0.00 C ATOM 518 CG1 VAL A 33 -7.984 6.013 -5.701 1.00 0.00 C ATOM 519 CG2 VAL A 33 -7.579 8.138 -4.440 1.00 0.00 C ATOM 0 H VAL A 33 -9.210 6.860 -1.660 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.133 7.044 -4.500 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.349 6.151 -3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.970 6.060 -6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.293 4.971 -5.617 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.661 6.539 -6.374 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.562 8.179 -4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.249 8.666 -5.119 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.612 8.611 -3.458 1.00 0.00 H new ATOM 529 N GLU A 34 -10.532 4.553 -4.472 1.00 0.00 N ATOM 530 CA GLU A 34 -10.970 3.129 -4.321 1.00 0.00 C ATOM 531 C GLU A 34 -10.012 2.194 -5.075 1.00 0.00 C ATOM 532 O GLU A 34 -9.326 2.592 -5.995 1.00 0.00 O ATOM 533 CB GLU A 34 -12.392 2.979 -4.890 1.00 0.00 C ATOM 534 CG GLU A 34 -13.198 4.254 -4.611 1.00 0.00 C ATOM 535 CD GLU A 34 -12.814 5.345 -5.614 1.00 0.00 C ATOM 536 OE1 GLU A 34 -11.974 5.080 -6.458 1.00 0.00 O ATOM 537 OE2 GLU A 34 -13.367 6.429 -5.521 1.00 0.00 O ATOM 0 H GLU A 34 -10.816 4.999 -5.345 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.961 2.860 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.347 2.793 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.886 2.119 -4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.265 4.043 -4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.008 4.599 -3.595 1.00 0.00 H new ATOM 544 N PHE A 35 -9.974 0.945 -4.684 1.00 0.00 N ATOM 545 CA PHE A 35 -9.083 -0.051 -5.356 1.00 0.00 C ATOM 546 C PHE A 35 -9.833 -1.380 -5.468 1.00 0.00 C ATOM 547 O PHE A 35 -10.451 -1.832 -4.524 1.00 0.00 O ATOM 548 CB PHE A 35 -7.822 -0.247 -4.505 1.00 0.00 C ATOM 549 CG PHE A 35 -6.821 0.853 -4.791 1.00 0.00 C ATOM 550 CD1 PHE A 35 -6.239 0.947 -6.058 1.00 0.00 C ATOM 551 CD2 PHE A 35 -6.466 1.767 -3.790 1.00 0.00 C ATOM 552 CE1 PHE A 35 -5.303 1.951 -6.330 1.00 0.00 C ATOM 553 CE2 PHE A 35 -5.530 2.774 -4.061 1.00 0.00 C ATOM 554 CZ PHE A 35 -4.947 2.865 -5.332 1.00 0.00 C ATOM 0 H PHE A 35 -10.530 0.568 -3.917 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.802 0.301 -6.348 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.084 -0.244 -3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.377 -1.218 -4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.512 0.243 -6.830 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.914 1.695 -2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.855 2.020 -7.310 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.258 3.480 -3.290 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.224 3.639 -5.541 1.00 0.00 H new ATOM 564 N THR A 36 -9.775 -2.010 -6.615 1.00 0.00 N ATOM 565 CA THR A 36 -10.474 -3.321 -6.809 1.00 0.00 C ATOM 566 C THR A 36 -9.444 -4.388 -7.173 1.00 0.00 C ATOM 567 O THR A 36 -8.399 -4.097 -7.720 1.00 0.00 O ATOM 568 CB THR A 36 -11.495 -3.189 -7.943 1.00 0.00 C ATOM 569 OG1 THR A 36 -10.918 -2.456 -9.014 1.00 0.00 O ATOM 570 CG2 THR A 36 -12.735 -2.456 -7.430 1.00 0.00 C ATOM 0 H THR A 36 -9.269 -1.670 -7.433 1.00 0.00 H new ATOM 0 HA THR A 36 -10.987 -3.605 -5.890 1.00 0.00 H new ATOM 0 HB THR A 36 -11.781 -4.181 -8.294 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.399 -3.062 -9.583 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.462 -2.362 -8.237 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.176 -3.019 -6.608 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.452 -1.464 -7.079 1.00 0.00 H new ATOM 578 N ALA A 37 -9.728 -5.624 -6.871 1.00 0.00 N ATOM 579 CA ALA A 37 -8.764 -6.712 -7.197 1.00 0.00 C ATOM 580 C ALA A 37 -8.231 -6.553 -8.629 1.00 0.00 C ATOM 581 O ALA A 37 -7.222 -7.131 -8.983 1.00 0.00 O ATOM 582 CB ALA A 37 -9.463 -8.066 -7.063 1.00 0.00 C ATOM 0 H ALA A 37 -10.587 -5.928 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.925 -6.655 -6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.759 -8.864 -7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.821 -8.191 -6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.307 -8.109 -7.751 1.00 0.00 H new ATOM 588 N THR A 38 -8.891 -5.791 -9.461 1.00 0.00 N ATOM 589 CA THR A 38 -8.404 -5.630 -10.859 1.00 0.00 C ATOM 590 C THR A 38 -7.083 -4.850 -10.870 1.00 0.00 C ATOM 591 O THR A 38 -6.312 -4.959 -11.803 1.00 0.00 O ATOM 592 CB THR A 38 -9.458 -4.872 -11.682 1.00 0.00 C ATOM 593 OG1 THR A 38 -10.015 -3.834 -10.889 1.00 0.00 O ATOM 594 CG2 THR A 38 -10.570 -5.834 -12.117 1.00 0.00 C ATOM 0 H THR A 38 -9.742 -5.276 -9.233 1.00 0.00 H new ATOM 0 HA THR A 38 -8.237 -6.615 -11.296 1.00 0.00 H new ATOM 0 HB THR A 38 -8.986 -4.446 -12.568 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.687 -3.348 -11.411 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.314 -5.291 -12.700 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.144 -6.631 -12.726 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.044 -6.265 -11.235 1.00 0.00 H new ATOM 602 N SER A 39 -6.812 -4.061 -9.850 1.00 0.00 N ATOM 603 CA SER A 39 -5.532 -3.273 -9.822 1.00 0.00 C ATOM 604 C SER A 39 -4.631 -3.763 -8.680 1.00 0.00 C ATOM 605 O SER A 39 -3.698 -3.096 -8.289 1.00 0.00 O ATOM 606 CB SER A 39 -5.855 -1.794 -9.616 1.00 0.00 C ATOM 607 OG SER A 39 -6.465 -1.616 -8.344 1.00 0.00 O ATOM 0 H SER A 39 -7.419 -3.930 -9.041 1.00 0.00 H new ATOM 0 HA SER A 39 -5.009 -3.410 -10.768 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.944 -1.199 -9.681 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.522 -1.443 -10.404 1.00 0.00 H new ATOM 0 HG SER A 39 -7.191 -0.961 -8.418 1.00 0.00 H new ATOM 613 N VAL A 40 -4.893 -4.927 -8.148 1.00 0.00 N ATOM 614 CA VAL A 40 -4.036 -5.450 -7.041 1.00 0.00 C ATOM 615 C VAL A 40 -2.556 -5.327 -7.435 1.00 0.00 C ATOM 616 O VAL A 40 -1.669 -5.501 -6.620 1.00 0.00 O ATOM 617 CB VAL A 40 -4.405 -6.924 -6.760 1.00 0.00 C ATOM 618 CG1 VAL A 40 -4.075 -7.797 -7.973 1.00 0.00 C ATOM 619 CG2 VAL A 40 -3.631 -7.449 -5.542 1.00 0.00 C ATOM 0 H VAL A 40 -5.660 -5.537 -8.430 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.204 -4.868 -6.135 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.475 -6.970 -6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.341 -8.832 -7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.641 -7.448 -8.837 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.008 -7.733 -8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.903 -8.488 -5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.560 -7.383 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.880 -6.849 -4.667 1.00 0.00 H new ATOM 629 N SER A 41 -2.280 -5.023 -8.680 1.00 0.00 N ATOM 630 CA SER A 41 -0.862 -4.897 -9.124 1.00 0.00 C ATOM 631 C SER A 41 -0.319 -3.498 -8.808 1.00 0.00 C ATOM 632 O SER A 41 0.728 -3.354 -8.203 1.00 0.00 O ATOM 633 CB SER A 41 -0.785 -5.137 -10.632 1.00 0.00 C ATOM 634 OG SER A 41 0.566 -5.015 -11.059 1.00 0.00 O ATOM 0 H SER A 41 -2.977 -4.857 -9.406 1.00 0.00 H new ATOM 0 HA SER A 41 -0.261 -5.635 -8.593 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.167 -6.129 -10.874 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.411 -4.417 -11.159 1.00 0.00 H new ATOM 0 HG SER A 41 0.619 -5.170 -12.025 1.00 0.00 H new ATOM 640 N ASP A 42 -1.002 -2.462 -9.220 1.00 0.00 N ATOM 641 CA ASP A 42 -0.489 -1.089 -8.945 1.00 0.00 C ATOM 642 C ASP A 42 -0.408 -0.854 -7.435 1.00 0.00 C ATOM 643 O ASP A 42 0.399 -0.075 -6.966 1.00 0.00 O ATOM 644 CB ASP A 42 -1.397 -0.038 -9.598 1.00 0.00 C ATOM 645 CG ASP A 42 -2.757 0.003 -8.897 1.00 0.00 C ATOM 646 OD1 ASP A 42 -3.013 -0.867 -8.086 1.00 0.00 O ATOM 647 OD2 ASP A 42 -3.521 0.909 -9.186 1.00 0.00 O ATOM 0 H ASP A 42 -1.884 -2.506 -9.730 1.00 0.00 H new ATOM 0 HA ASP A 42 0.510 -0.996 -9.371 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.924 0.943 -9.546 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.532 -0.271 -10.654 1.00 0.00 H new ATOM 652 N LEU A 43 -1.213 -1.529 -6.660 1.00 0.00 N ATOM 653 CA LEU A 43 -1.135 -1.334 -5.188 1.00 0.00 C ATOM 654 C LEU A 43 0.133 -2.028 -4.687 1.00 0.00 C ATOM 655 O LEU A 43 0.834 -1.529 -3.829 1.00 0.00 O ATOM 656 CB LEU A 43 -2.365 -1.945 -4.507 1.00 0.00 C ATOM 657 CG LEU A 43 -2.353 -1.630 -2.992 1.00 0.00 C ATOM 658 CD1 LEU A 43 -3.042 -0.285 -2.725 1.00 0.00 C ATOM 659 CD2 LEU A 43 -3.091 -2.736 -2.225 1.00 0.00 C ATOM 0 H LEU A 43 -1.913 -2.199 -6.979 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.107 -0.270 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.274 -1.549 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.376 -3.024 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.318 -1.577 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.027 -0.075 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.515 0.506 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.074 -0.330 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.080 -2.509 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.122 -2.794 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.596 -3.691 -2.398 1.00 0.00 H new ATOM 671 N LYS A 44 0.432 -3.178 -5.228 1.00 0.00 N ATOM 672 CA LYS A 44 1.654 -3.914 -4.799 1.00 0.00 C ATOM 673 C LYS A 44 2.863 -2.969 -4.888 1.00 0.00 C ATOM 674 O LYS A 44 3.768 -3.020 -4.078 1.00 0.00 O ATOM 675 CB LYS A 44 1.848 -5.129 -5.739 1.00 0.00 C ATOM 676 CG LYS A 44 2.116 -6.412 -4.936 1.00 0.00 C ATOM 677 CD LYS A 44 2.474 -7.554 -5.900 1.00 0.00 C ATOM 678 CE LYS A 44 2.235 -8.905 -5.220 1.00 0.00 C ATOM 679 NZ LYS A 44 2.880 -9.983 -6.020 1.00 0.00 N ATOM 0 H LYS A 44 -0.120 -3.640 -5.951 1.00 0.00 H new ATOM 0 HA LYS A 44 1.555 -4.264 -3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.959 -5.261 -6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.681 -4.940 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.930 -6.249 -4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.236 -6.678 -4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.870 -7.481 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.517 -7.470 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.643 -8.893 -4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.165 -9.095 -5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.718 -10.901 -5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.470 -9.998 -6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.902 -9.803 -6.084 1.00 0.00 H new ATOM 693 N LYS A 45 2.885 -2.113 -5.876 1.00 0.00 N ATOM 694 CA LYS A 45 4.036 -1.175 -6.028 1.00 0.00 C ATOM 695 C LYS A 45 3.945 -0.047 -4.995 1.00 0.00 C ATOM 696 O LYS A 45 4.944 0.486 -4.558 1.00 0.00 O ATOM 697 CB LYS A 45 4.016 -0.573 -7.435 1.00 0.00 C ATOM 698 CG LYS A 45 4.264 -1.674 -8.467 1.00 0.00 C ATOM 699 CD LYS A 45 4.307 -1.061 -9.868 1.00 0.00 C ATOM 700 CE LYS A 45 4.594 -2.156 -10.897 1.00 0.00 C ATOM 701 NZ LYS A 45 4.642 -1.556 -12.261 1.00 0.00 N ATOM 0 H LYS A 45 2.156 -2.023 -6.584 1.00 0.00 H new ATOM 0 HA LYS A 45 4.963 -1.726 -5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.055 -0.094 -7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.780 0.200 -7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.204 -2.183 -8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.475 -2.424 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.357 -0.576 -10.093 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.077 -0.291 -9.916 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.541 -2.644 -10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.821 -2.923 -10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.837 -2.300 -12.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.728 -1.109 -12.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.395 -0.839 -12.299 1.00 0.00 H new ATOM 715 N TYR A 46 2.757 0.331 -4.610 1.00 0.00 N ATOM 716 CA TYR A 46 2.606 1.435 -3.615 1.00 0.00 C ATOM 717 C TYR A 46 3.193 1.007 -2.265 1.00 0.00 C ATOM 718 O TYR A 46 3.694 1.820 -1.511 1.00 0.00 O ATOM 719 CB TYR A 46 1.116 1.752 -3.466 1.00 0.00 C ATOM 720 CG TYR A 46 0.876 2.781 -2.377 1.00 0.00 C ATOM 721 CD1 TYR A 46 1.499 4.036 -2.440 1.00 0.00 C ATOM 722 CD2 TYR A 46 0.014 2.483 -1.308 1.00 0.00 C ATOM 723 CE1 TYR A 46 1.261 4.987 -1.438 1.00 0.00 C ATOM 724 CE2 TYR A 46 -0.222 3.436 -0.308 1.00 0.00 C ATOM 725 CZ TYR A 46 0.403 4.686 -0.373 1.00 0.00 C ATOM 726 OH TYR A 46 0.172 5.625 0.611 1.00 0.00 O ATOM 0 H TYR A 46 1.882 -0.076 -4.941 1.00 0.00 H new ATOM 0 HA TYR A 46 3.141 2.321 -3.956 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.725 2.124 -4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.569 0.838 -3.232 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.162 4.270 -3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.468 1.518 -1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.740 5.954 -1.487 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.886 3.206 0.512 1.00 0.00 H new ATOM 0 HH TYR A 46 0.267 5.206 1.492 1.00 0.00 H new ATOM 736 N ILE A 47 3.150 -0.262 -1.956 1.00 0.00 N ATOM 737 CA ILE A 47 3.717 -0.730 -0.656 1.00 0.00 C ATOM 738 C ILE A 47 5.237 -0.855 -0.794 1.00 0.00 C ATOM 739 O ILE A 47 5.979 -0.630 0.143 1.00 0.00 O ATOM 740 CB ILE A 47 3.111 -2.087 -0.276 1.00 0.00 C ATOM 741 CG1 ILE A 47 1.616 -1.918 0.016 1.00 0.00 C ATOM 742 CG2 ILE A 47 3.802 -2.625 0.980 1.00 0.00 C ATOM 743 CD1 ILE A 47 0.955 -3.294 0.094 1.00 0.00 C ATOM 0 H ILE A 47 2.749 -0.992 -2.544 1.00 0.00 H new ATOM 0 HA ILE A 47 3.477 -0.012 0.128 1.00 0.00 H new ATOM 0 HB ILE A 47 3.251 -2.784 -1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.476 -1.381 0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.147 -1.321 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.370 -3.589 1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.868 -2.746 0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.661 -1.923 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.108 -3.176 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.084 -3.814 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.418 -3.875 0.891 1.00 0.00 H new ATOM 755 N ALA A 48 5.705 -1.203 -1.962 1.00 0.00 N ATOM 756 CA ALA A 48 7.175 -1.337 -2.172 1.00 0.00 C ATOM 757 C ALA A 48 7.822 0.053 -2.241 1.00 0.00 C ATOM 758 O ALA A 48 8.886 0.282 -1.696 1.00 0.00 O ATOM 759 CB ALA A 48 7.433 -2.080 -3.485 1.00 0.00 C ATOM 0 H ALA A 48 5.131 -1.401 -2.782 1.00 0.00 H new ATOM 0 HA ALA A 48 7.607 -1.894 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.507 -2.180 -3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.980 -3.070 -3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.996 -1.520 -4.312 1.00 0.00 H new ATOM 765 N GLU A 49 7.198 0.976 -2.920 1.00 0.00 N ATOM 766 CA GLU A 49 7.782 2.342 -3.044 1.00 0.00 C ATOM 767 C GLU A 49 7.849 3.023 -1.673 1.00 0.00 C ATOM 768 O GLU A 49 8.765 3.772 -1.394 1.00 0.00 O ATOM 769 CB GLU A 49 6.926 3.182 -3.997 1.00 0.00 C ATOM 770 CG GLU A 49 7.539 4.578 -4.139 1.00 0.00 C ATOM 771 CD GLU A 49 6.794 5.354 -5.226 1.00 0.00 C ATOM 772 OE1 GLU A 49 7.069 5.117 -6.391 1.00 0.00 O ATOM 773 OE2 GLU A 49 5.959 6.174 -4.876 1.00 0.00 O ATOM 0 H GLU A 49 6.306 0.843 -3.396 1.00 0.00 H new ATOM 0 HA GLU A 49 8.794 2.257 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.867 2.698 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.907 3.258 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.479 5.111 -3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.596 4.499 -4.394 1.00 0.00 H new ATOM 780 N LEU A 50 6.896 2.784 -0.811 1.00 0.00 N ATOM 781 CA LEU A 50 6.953 3.450 0.530 1.00 0.00 C ATOM 782 C LEU A 50 8.078 2.828 1.362 1.00 0.00 C ATOM 783 O LEU A 50 8.705 3.497 2.159 1.00 0.00 O ATOM 784 CB LEU A 50 5.615 3.327 1.291 1.00 0.00 C ATOM 785 CG LEU A 50 4.569 4.301 0.704 1.00 0.00 C ATOM 786 CD1 LEU A 50 3.191 4.038 1.356 1.00 0.00 C ATOM 787 CD2 LEU A 50 5.001 5.770 0.954 1.00 0.00 C ATOM 0 H LEU A 50 6.096 2.171 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 50 7.147 4.511 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.245 2.304 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.770 3.543 2.348 1.00 0.00 H new ATOM 0 HG LEU A 50 4.497 4.137 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.455 4.726 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.883 3.012 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.263 4.190 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.255 6.445 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.088 5.946 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.964 5.952 0.477 1.00 0.00 H new ATOM 799 N GLU A 51 8.351 1.562 1.190 1.00 0.00 N ATOM 800 CA GLU A 51 9.449 0.941 1.984 1.00 0.00 C ATOM 801 C GLU A 51 10.782 1.588 1.587 1.00 0.00 C ATOM 802 O GLU A 51 11.700 1.669 2.380 1.00 0.00 O ATOM 803 CB GLU A 51 9.508 -0.577 1.730 1.00 0.00 C ATOM 804 CG GLU A 51 8.406 -1.285 2.519 1.00 0.00 C ATOM 805 CD GLU A 51 8.709 -1.209 4.018 1.00 0.00 C ATOM 806 OE1 GLU A 51 9.788 -0.754 4.362 1.00 0.00 O ATOM 807 OE2 GLU A 51 7.858 -1.608 4.795 1.00 0.00 O ATOM 0 H GLU A 51 7.868 0.939 0.543 1.00 0.00 H new ATOM 0 HA GLU A 51 9.260 1.104 3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.392 -0.780 0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.483 -0.965 2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.442 -0.822 2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.334 -2.327 2.206 1.00 0.00 H new ATOM 814 N VAL A 52 10.900 2.045 0.364 1.00 0.00 N ATOM 815 CA VAL A 52 12.178 2.680 -0.074 1.00 0.00 C ATOM 816 C VAL A 52 12.221 4.149 0.365 1.00 0.00 C ATOM 817 O VAL A 52 13.277 4.747 0.436 1.00 0.00 O ATOM 818 CB VAL A 52 12.294 2.607 -1.602 1.00 0.00 C ATOM 819 CG1 VAL A 52 13.523 3.395 -2.065 1.00 0.00 C ATOM 820 CG2 VAL A 52 12.437 1.146 -2.042 1.00 0.00 C ATOM 0 H VAL A 52 10.169 2.005 -0.346 1.00 0.00 H new ATOM 0 HA VAL A 52 13.009 2.145 0.386 1.00 0.00 H new ATOM 0 HB VAL A 52 11.396 3.035 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.602 3.341 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.423 4.437 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.419 2.969 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.519 1.099 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.332 0.716 -1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.562 0.582 -1.720 1.00 0.00 H new ATOM 830 N GLN A 53 11.093 4.747 0.651 1.00 0.00 N ATOM 831 CA GLN A 53 11.096 6.182 1.069 1.00 0.00 C ATOM 832 C GLN A 53 11.183 6.263 2.591 1.00 0.00 C ATOM 833 O GLN A 53 11.365 7.324 3.155 1.00 0.00 O ATOM 834 CB GLN A 53 9.811 6.865 0.584 1.00 0.00 C ATOM 835 CG GLN A 53 9.902 7.107 -0.925 1.00 0.00 C ATOM 836 CD GLN A 53 10.917 8.218 -1.205 1.00 0.00 C ATOM 837 OE1 GLN A 53 12.034 7.951 -1.602 1.00 0.00 O ATOM 838 NE2 GLN A 53 10.574 9.463 -1.014 1.00 0.00 N ATOM 0 H GLN A 53 10.174 4.307 0.614 1.00 0.00 H new ATOM 0 HA GLN A 53 11.955 6.689 0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.946 6.242 0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.669 7.811 1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.201 6.190 -1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.925 7.386 -1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.637 9.688 -0.681 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.243 10.210 -1.198 1.00 0.00 H new ATOM 847 N THR A 54 11.048 5.143 3.259 1.00 0.00 N ATOM 848 CA THR A 54 11.117 5.122 4.751 1.00 0.00 C ATOM 849 C THR A 54 12.196 4.116 5.182 1.00 0.00 C ATOM 850 O THR A 54 12.953 4.356 6.101 1.00 0.00 O ATOM 851 CB THR A 54 9.713 4.741 5.289 1.00 0.00 C ATOM 852 OG1 THR A 54 9.167 5.858 5.978 1.00 0.00 O ATOM 853 CG2 THR A 54 9.762 3.540 6.249 1.00 0.00 C ATOM 0 H THR A 54 10.891 4.232 2.827 1.00 0.00 H new ATOM 0 HA THR A 54 11.391 6.095 5.159 1.00 0.00 H new ATOM 0 HB THR A 54 9.094 4.460 4.437 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.701 5.550 6.783 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.755 3.312 6.598 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.170 2.674 5.728 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.396 3.782 7.102 1.00 0.00 H new ATOM 861 N GLY A 55 12.264 2.988 4.524 1.00 0.00 N ATOM 862 CA GLY A 55 13.284 1.958 4.889 1.00 0.00 C ATOM 863 C GLY A 55 14.536 2.146 4.022 1.00 0.00 C ATOM 864 O GLY A 55 14.647 3.102 3.282 1.00 0.00 O ATOM 0 H GLY A 55 11.655 2.734 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.543 2.046 5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.875 0.958 4.743 1.00 0.00 H new ATOM 868 N MET A 56 15.484 1.241 4.103 1.00 0.00 N ATOM 869 CA MET A 56 16.721 1.376 3.281 1.00 0.00 C ATOM 870 C MET A 56 17.311 -0.010 3.031 1.00 0.00 C ATOM 871 O MET A 56 18.498 -0.219 3.164 1.00 0.00 O ATOM 872 CB MET A 56 17.737 2.246 4.030 1.00 0.00 C ATOM 873 CG MET A 56 18.804 2.751 3.055 1.00 0.00 C ATOM 874 SD MET A 56 20.149 3.530 3.982 1.00 0.00 S ATOM 875 CE MET A 56 20.902 4.411 2.592 1.00 0.00 C ATOM 0 H MET A 56 15.451 0.417 4.703 1.00 0.00 H new ATOM 0 HA MET A 56 16.482 1.845 2.327 1.00 0.00 H new ATOM 0 HB2 MET A 56 17.231 3.090 4.499 1.00 0.00 H new ATOM 0 HB3 MET A 56 18.204 1.670 4.829 1.00 0.00 H new ATOM 0 HG2 MET A 56 19.190 1.923 2.461 1.00 0.00 H new ATOM 0 HG3 MET A 56 18.366 3.466 2.359 1.00 0.00 H new ATOM 0 HE1 MET A 56 21.769 4.971 2.943 1.00 0.00 H new ATOM 0 HE2 MET A 56 21.216 3.694 1.834 1.00 0.00 H new ATOM 0 HE3 MET A 56 20.175 5.100 2.161 1.00 0.00 H new ATOM 885 N THR A 57 16.485 -0.954 2.665 1.00 0.00 N ATOM 886 CA THR A 57 16.982 -2.334 2.398 1.00 0.00 C ATOM 887 C THR A 57 17.716 -2.866 3.638 1.00 0.00 C ATOM 888 O THR A 57 18.130 -2.115 4.499 1.00 0.00 O ATOM 889 CB THR A 57 17.899 -2.310 1.147 1.00 0.00 C ATOM 890 OG1 THR A 57 17.425 -3.267 0.210 1.00 0.00 O ATOM 891 CG2 THR A 57 19.365 -2.633 1.489 1.00 0.00 C ATOM 0 H THR A 57 15.481 -0.827 2.539 1.00 0.00 H new ATOM 0 HA THR A 57 16.149 -3.007 2.194 1.00 0.00 H new ATOM 0 HB THR A 57 17.868 -1.302 0.733 1.00 0.00 H new ATOM 0 HG1 THR A 57 17.998 -3.258 -0.585 1.00 0.00 H new ATOM 0 HG21 THR A 57 19.966 -2.603 0.580 1.00 0.00 H new ATOM 0 HG22 THR A 57 19.744 -1.897 2.198 1.00 0.00 H new ATOM 0 HG23 THR A 57 19.425 -3.627 1.931 1.00 0.00 H new ATOM 899 N GLN A 58 17.884 -4.157 3.725 1.00 0.00 N ATOM 900 CA GLN A 58 18.596 -4.741 4.895 1.00 0.00 C ATOM 901 C GLN A 58 18.814 -6.237 4.664 1.00 0.00 C ATOM 902 O GLN A 58 17.972 -7.053 4.982 1.00 0.00 O ATOM 903 CB GLN A 58 17.757 -4.541 6.161 1.00 0.00 C ATOM 904 CG GLN A 58 18.521 -5.085 7.370 1.00 0.00 C ATOM 905 CD GLN A 58 17.764 -4.734 8.653 1.00 0.00 C ATOM 906 OE1 GLN A 58 16.601 -5.053 8.792 1.00 0.00 O ATOM 907 NE2 GLN A 58 18.381 -4.085 9.602 1.00 0.00 N ATOM 0 H GLN A 58 17.558 -4.833 3.035 1.00 0.00 H new ATOM 0 HA GLN A 58 19.559 -4.245 5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 58 17.538 -3.483 6.302 1.00 0.00 H new ATOM 0 HB3 GLN A 58 16.800 -5.054 6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 58 18.634 -6.166 7.286 1.00 0.00 H new ATOM 0 HG3 GLN A 58 19.525 -4.661 7.400 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.358 -3.817 9.485 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.886 -3.845 10.461 1.00 0.00 H new ATOM 916 N ARG A 59 19.937 -6.606 4.112 1.00 0.00 N ATOM 917 CA ARG A 59 20.205 -8.050 3.862 1.00 0.00 C ATOM 918 C ARG A 59 21.668 -8.237 3.457 1.00 0.00 C ATOM 919 O ARG A 59 22.306 -7.328 2.963 1.00 0.00 O ATOM 920 CB ARG A 59 19.296 -8.551 2.738 1.00 0.00 C ATOM 921 CG ARG A 59 19.454 -7.648 1.513 1.00 0.00 C ATOM 922 CD ARG A 59 18.504 -8.117 0.408 1.00 0.00 C ATOM 923 NE ARG A 59 17.101 -8.074 0.908 1.00 0.00 N ATOM 924 CZ ARG A 59 16.106 -8.141 0.066 1.00 0.00 C ATOM 925 NH1 ARG A 59 16.340 -8.247 -1.213 1.00 0.00 N ATOM 926 NH2 ARG A 59 14.877 -8.102 0.504 1.00 0.00 N ATOM 0 H ARG A 59 20.680 -5.970 3.823 1.00 0.00 H new ATOM 0 HA ARG A 59 20.006 -8.618 4.771 1.00 0.00 H new ATOM 0 HB2 ARG A 59 19.551 -9.579 2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 59 18.258 -8.554 3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 59 19.236 -6.614 1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 59 20.484 -7.676 1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 59 18.608 -7.480 -0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 59 18.760 -9.130 0.099 1.00 0.00 H new ATOM 0 HE ARG A 59 16.918 -7.992 1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 59 17.300 -8.278 -1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.562 -8.299 -1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.694 -8.019 1.504 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.099 -8.154 -0.154 1.00 0.00 H new ATOM 940 N ARG A 60 22.205 -9.408 3.663 1.00 0.00 N ATOM 941 CA ARG A 60 23.627 -9.652 3.289 1.00 0.00 C ATOM 942 C ARG A 60 23.926 -11.150 3.372 1.00 0.00 C ATOM 943 O ARG A 60 24.845 -11.644 2.749 1.00 0.00 O ATOM 944 CB ARG A 60 24.544 -8.894 4.252 1.00 0.00 C ATOM 945 CG ARG A 60 25.988 -8.977 3.753 1.00 0.00 C ATOM 946 CD ARG A 60 26.903 -8.203 4.705 1.00 0.00 C ATOM 947 NE ARG A 60 28.268 -8.112 4.117 1.00 0.00 N ATOM 948 CZ ARG A 60 29.129 -7.256 4.597 1.00 0.00 C ATOM 949 NH1 ARG A 60 28.793 -6.479 5.590 1.00 0.00 N ATOM 950 NH2 ARG A 60 30.325 -7.176 4.082 1.00 0.00 N ATOM 0 H ARG A 60 21.721 -10.206 4.074 1.00 0.00 H new ATOM 0 HA ARG A 60 23.801 -9.303 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 60 24.232 -7.852 4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 60 24.469 -9.319 5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 60 26.304 -10.018 3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 60 26.060 -8.565 2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 60 26.503 -7.204 4.879 1.00 0.00 H new ATOM 0 HD3 ARG A 60 26.945 -8.703 5.673 1.00 0.00 H new ATOM 0 HE ARG A 60 28.530 -8.718 3.340 1.00 0.00 H new ATOM 0 HH11 ARG A 60 27.857 -6.540 5.992 1.00 0.00 H new ATOM 0 HH12 ARG A 60 29.466 -5.810 5.965 1.00 0.00 H new ATOM 0 HH21 ARG A 60 30.587 -7.782 3.305 1.00 0.00 H new ATOM 0 HH22 ARG A 60 30.998 -6.507 4.457 1.00 0.00 H new ATOM 964 N ARG A 61 23.159 -11.877 4.138 1.00 0.00 N ATOM 965 CA ARG A 61 23.401 -13.342 4.259 1.00 0.00 C ATOM 966 C ARG A 61 23.266 -13.997 2.882 1.00 0.00 C ATOM 967 O ARG A 61 23.723 -15.101 2.663 1.00 0.00 O ATOM 968 CB ARG A 61 22.373 -13.951 5.216 1.00 0.00 C ATOM 969 CG ARG A 61 22.466 -13.255 6.575 1.00 0.00 C ATOM 970 CD ARG A 61 21.487 -13.909 7.552 1.00 0.00 C ATOM 971 NE ARG A 61 21.527 -13.187 8.854 1.00 0.00 N ATOM 972 CZ ARG A 61 20.579 -13.370 9.732 1.00 0.00 C ATOM 973 NH1 ARG A 61 19.596 -14.187 9.469 1.00 0.00 N ATOM 974 NH2 ARG A 61 20.614 -12.737 10.872 1.00 0.00 N ATOM 0 H ARG A 61 22.376 -11.520 4.685 1.00 0.00 H new ATOM 0 HA ARG A 61 24.405 -13.514 4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 61 21.369 -13.840 4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.555 -15.020 5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 61 23.483 -13.324 6.962 1.00 0.00 H new ATOM 0 HG3 ARG A 61 22.236 -12.195 6.469 1.00 0.00 H new ATOM 0 HD2 ARG A 61 20.477 -13.885 7.142 1.00 0.00 H new ATOM 0 HD3 ARG A 61 21.748 -14.957 7.697 1.00 0.00 H new ATOM 0 HE ARG A 61 22.296 -12.549 9.060 1.00 0.00 H new ATOM 0 HH11 ARG A 61 19.569 -14.682 8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.855 -14.330 10.155 1.00 0.00 H new ATOM 0 HH21 ARG A 61 21.383 -12.099 11.077 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.873 -12.880 11.558 1.00 0.00 H new ATOM 988 N GLY A 62 22.642 -13.326 1.954 1.00 0.00 N ATOM 989 CA GLY A 62 22.479 -13.912 0.593 1.00 0.00 C ATOM 990 C GLY A 62 21.727 -12.925 -0.302 1.00 0.00 C ATOM 991 O GLY A 62 20.868 -12.226 0.212 1.00 0.00 O ATOM 992 OXT GLY A 62 22.021 -12.886 -1.484 1.00 0.00 O ATOM 0 H GLY A 62 22.238 -12.398 2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 62 23.455 -14.138 0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 62 21.932 -14.853 0.654 1.00 0.00 H new TER 996 GLY A 62