USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 596 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 74 THR OG1 : rot 177:sc= -2.69! USER MOD Set 1.2: A 77 MET CE :methyl 136:sc= -8.55! (180deg=-9.77!) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.69 K(o=-1.7,f=-1.1) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0642 USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= -0.238 (180deg=-0.403) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= -0.0192 (180deg=-0.0192) USER MOD Single : A 42 SER OG : rot 180:sc= -0.999 USER MOD Single : A 43 THR OG1 : rot -22:sc= 0.664 USER MOD Single : A 45 THR OG1 : rot 0:sc= 0.132 USER MOD Single : A 48 HIS : no HE2:sc= -2.61! C(o=-2.6!,f=-8.9!) USER MOD Single : A 49 MET CE :methyl 163:sc= -13.8! (180deg=-15.3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= -6.52! C(o=-6.5!,f=-10!) USER MOD Single : A 63 SER OG : rot 30:sc= 0.00125 USER MOD Single : A 64 GLN : amide:sc= -9.7! C(o=-9.7!,f=-8.6!) USER MOD Single : A 69 SER OG : rot 90:sc= 1.21 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= -1.7 (180deg=-1.72) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -168:sc= -1.57! (180deg=-1.9!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -2.69! C(o=-2.7!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 44 N CYS A 24 -11.901 -4.363 1.875 1.00 0.00 N ATOM 45 CA CYS A 24 -10.624 -4.691 1.250 1.00 0.00 C ATOM 46 C CYS A 24 -9.477 -4.551 2.252 1.00 0.00 C ATOM 47 O CYS A 24 -9.382 -3.554 2.968 1.00 0.00 O ATOM 48 CB CYS A 24 -10.389 -3.784 0.037 1.00 0.00 C ATOM 49 SG CYS A 24 -11.743 -3.797 -1.161 1.00 0.00 S ATOM 0 HA CYS A 24 -10.656 -5.728 0.916 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.234 -2.762 0.384 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.471 -4.093 -0.463 1.00 0.00 H new ATOM 0 HG CYS A 24 -11.457 -3.001 -2.148 1.00 0.00 H new ATOM 55 N GLN A 25 -8.609 -5.560 2.296 1.00 0.00 N ATOM 56 CA GLN A 25 -7.469 -5.563 3.208 1.00 0.00 C ATOM 57 C GLN A 25 -6.186 -5.857 2.441 1.00 0.00 C ATOM 58 O GLN A 25 -5.958 -6.982 1.999 1.00 0.00 O ATOM 59 CB GLN A 25 -7.673 -6.602 4.312 1.00 0.00 C ATOM 60 CG GLN A 25 -6.579 -6.591 5.367 1.00 0.00 C ATOM 61 CD GLN A 25 -6.804 -7.628 6.450 1.00 0.00 C ATOM 62 OE1 GLN A 25 -7.388 -8.683 6.203 1.00 0.00 O ATOM 63 NE2 GLN A 25 -6.342 -7.331 7.659 1.00 0.00 N ATOM 0 H GLN A 25 -8.675 -6.390 1.707 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.387 -4.578 3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.634 -6.423 4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.722 -7.593 3.862 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.616 -6.773 4.889 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.527 -5.602 5.821 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.864 -6.444 7.819 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.465 -7.990 8.428 1.00 0.00 H new ATOM 72 N LEU A 26 -5.348 -4.842 2.297 1.00 0.00 N ATOM 73 CA LEU A 26 -4.096 -4.980 1.555 1.00 0.00 C ATOM 74 C LEU A 26 -2.886 -5.008 2.481 1.00 0.00 C ATOM 75 O LEU A 26 -2.762 -4.176 3.378 1.00 0.00 O ATOM 76 CB LEU A 26 -3.973 -3.823 0.559 1.00 0.00 C ATOM 77 CG LEU A 26 -2.786 -3.888 -0.406 1.00 0.00 C ATOM 78 CD1 LEU A 26 -1.502 -3.494 0.304 1.00 0.00 C ATOM 79 CD2 LEU A 26 -2.665 -5.279 -1.014 1.00 0.00 C ATOM 0 H LEU A 26 -5.509 -3.912 2.683 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.116 -5.931 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.890 -3.777 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.907 -2.892 1.121 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.959 -3.179 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.668 -3.546 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.594 -2.477 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.321 -4.177 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.816 -5.305 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.515 -6.011 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.577 -5.518 -1.560 1.00 0.00 H new ATOM 91 N ARG A 27 -1.991 -5.973 2.254 1.00 0.00 N ATOM 92 CA ARG A 27 -0.784 -6.092 3.063 1.00 0.00 C ATOM 93 C ARG A 27 0.355 -5.294 2.431 1.00 0.00 C ATOM 94 O ARG A 27 0.642 -5.448 1.245 1.00 0.00 O ATOM 95 CB ARG A 27 -0.373 -7.559 3.206 1.00 0.00 C ATOM 96 CG ARG A 27 -1.484 -8.464 3.713 1.00 0.00 C ATOM 97 CD ARG A 27 -0.961 -9.853 4.042 1.00 0.00 C ATOM 98 NE ARG A 27 0.046 -9.823 5.102 1.00 0.00 N ATOM 99 CZ ARG A 27 -0.233 -9.940 6.399 1.00 0.00 C ATOM 100 NH1 ARG A 27 -1.489 -10.072 6.809 1.00 0.00 N ATOM 101 NH2 ARG A 27 0.748 -9.917 7.291 1.00 0.00 N ATOM 0 H ARG A 27 -2.082 -6.677 1.521 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.995 -5.690 4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.032 -7.926 2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.475 -7.624 3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.937 -8.024 4.602 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.268 -8.538 2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.791 -10.490 4.349 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.531 -10.300 3.146 1.00 0.00 H new ATOM 0 HE ARG A 27 1.022 -9.705 4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.249 -10.084 6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.694 -10.161 7.804 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.715 -9.810 6.983 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.536 -10.006 8.285 1.00 0.00 H new ATOM 115 N LEU A 28 1.002 -4.439 3.214 1.00 0.00 N ATOM 116 CA LEU A 28 2.096 -3.624 2.691 1.00 0.00 C ATOM 117 C LEU A 28 3.455 -4.149 3.134 1.00 0.00 C ATOM 118 O LEU A 28 3.699 -4.313 4.323 1.00 0.00 O ATOM 119 CB LEU A 28 1.969 -2.192 3.182 1.00 0.00 C ATOM 120 CG LEU A 28 0.738 -1.421 2.696 1.00 0.00 C ATOM 121 CD1 LEU A 28 0.768 -1.272 1.184 1.00 0.00 C ATOM 122 CD2 LEU A 28 -0.550 -2.100 3.140 1.00 0.00 C ATOM 0 H LEU A 28 0.793 -4.291 4.201 1.00 0.00 H new ATOM 0 HA LEU A 28 2.029 -3.669 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.959 -2.202 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.860 -1.644 2.876 1.00 0.00 H new ATOM 0 HG LEU A 28 0.764 -0.429 3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.114 -0.722 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.666 -0.728 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.774 -2.259 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.405 -1.529 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.589 -3.109 2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.579 -2.149 4.229 1.00 0.00 H new ATOM 134 N ARG A 29 4.343 -4.383 2.175 1.00 0.00 N ATOM 135 CA ARG A 29 5.689 -4.857 2.481 1.00 0.00 C ATOM 136 C ARG A 29 6.685 -3.709 2.328 1.00 0.00 C ATOM 137 O ARG A 29 7.189 -3.457 1.234 1.00 0.00 O ATOM 138 CB ARG A 29 6.070 -6.014 1.555 1.00 0.00 C ATOM 139 CG ARG A 29 7.400 -6.662 1.904 1.00 0.00 C ATOM 140 CD ARG A 29 7.290 -7.519 3.155 1.00 0.00 C ATOM 141 NE ARG A 29 6.350 -8.624 2.979 1.00 0.00 N ATOM 142 CZ ARG A 29 6.155 -9.584 3.881 1.00 0.00 C ATOM 143 NH1 ARG A 29 6.829 -9.577 5.024 1.00 0.00 N ATOM 144 NH2 ARG A 29 5.283 -10.553 3.638 1.00 0.00 N ATOM 0 H ARG A 29 4.157 -4.253 1.181 1.00 0.00 H new ATOM 0 HA ARG A 29 5.713 -5.217 3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.286 -6.771 1.592 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.112 -5.648 0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.737 -7.276 1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.154 -5.889 2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.273 -7.916 3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.969 -6.899 3.992 1.00 0.00 H new ATOM 0 HE ARG A 29 5.811 -8.662 2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.501 -8.834 5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.675 -10.315 5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.762 -10.563 2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.133 -11.289 4.328 1.00 0.00 H new ATOM 158 N LEU A 30 6.966 -3.013 3.428 1.00 0.00 N ATOM 159 CA LEU A 30 7.883 -1.875 3.394 1.00 0.00 C ATOM 160 C LEU A 30 9.280 -2.244 3.868 1.00 0.00 C ATOM 161 O LEU A 30 9.517 -3.350 4.335 1.00 0.00 O ATOM 162 CB LEU A 30 7.376 -0.727 4.266 1.00 0.00 C ATOM 163 CG LEU A 30 5.943 -0.845 4.797 1.00 0.00 C ATOM 164 CD1 LEU A 30 5.671 0.241 5.824 1.00 0.00 C ATOM 165 CD2 LEU A 30 4.928 -0.761 3.673 1.00 0.00 C ATOM 0 H LEU A 30 6.575 -3.215 4.348 1.00 0.00 H new ATOM 0 HA LEU A 30 7.930 -1.564 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.047 -0.626 5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.450 0.196 3.690 1.00 0.00 H new ATOM 0 HG LEU A 30 5.843 -1.821 5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.650 0.145 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.368 0.138 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.800 1.220 5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.922 -0.848 4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.030 0.196 3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.102 -1.571 2.964 1.00 0.00 H new ATOM 177 N SER A 31 10.207 -1.290 3.746 1.00 0.00 N ATOM 178 CA SER A 31 11.595 -1.494 4.164 1.00 0.00 C ATOM 179 C SER A 31 12.157 -2.809 3.625 1.00 0.00 C ATOM 180 O SER A 31 13.255 -3.223 3.997 1.00 0.00 O ATOM 181 CB SER A 31 11.695 -1.475 5.690 1.00 0.00 C ATOM 182 OG SER A 31 11.253 -0.235 6.215 1.00 0.00 O ATOM 0 H SER A 31 10.019 -0.365 3.359 1.00 0.00 H new ATOM 0 HA SER A 31 12.188 -0.678 3.750 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.096 -2.284 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.727 -1.654 5.992 1.00 0.00 H new ATOM 0 HG SER A 31 11.325 -0.249 7.192 1.00 0.00 H new ATOM 188 N THR A 32 11.391 -3.460 2.754 1.00 0.00 N ATOM 189 CA THR A 32 11.789 -4.732 2.160 1.00 0.00 C ATOM 190 C THR A 32 11.485 -5.876 3.119 1.00 0.00 C ATOM 191 O THR A 32 11.984 -6.990 2.959 1.00 0.00 O ATOM 192 CB THR A 32 13.286 -4.757 1.784 1.00 0.00 C ATOM 193 OG1 THR A 32 13.653 -3.525 1.153 1.00 0.00 O ATOM 194 CG2 THR A 32 13.591 -5.917 0.846 1.00 0.00 C ATOM 0 H THR A 32 10.481 -3.122 2.441 1.00 0.00 H new ATOM 0 HA THR A 32 11.213 -4.853 1.242 1.00 0.00 H new ATOM 0 HB THR A 32 13.864 -4.886 2.699 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.604 -3.548 0.919 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.652 -5.913 0.596 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.337 -6.857 1.336 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.003 -5.812 -0.066 1.00 0.00 H new ATOM 202 N GLY A 33 10.655 -5.589 4.120 1.00 0.00 N ATOM 203 CA GLY A 33 10.289 -6.595 5.098 1.00 0.00 C ATOM 204 C GLY A 33 9.420 -6.013 6.187 1.00 0.00 C ATOM 205 O GLY A 33 9.492 -6.424 7.345 1.00 0.00 O ATOM 0 H GLY A 33 10.230 -4.674 4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.759 -7.409 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.190 -7.022 5.538 1.00 0.00 H new ATOM 209 N LYS A 34 8.594 -5.048 5.804 1.00 0.00 N ATOM 210 CA LYS A 34 7.709 -4.375 6.734 1.00 0.00 C ATOM 211 C LYS A 34 6.258 -4.616 6.333 1.00 0.00 C ATOM 212 O LYS A 34 5.618 -3.766 5.720 1.00 0.00 O ATOM 213 CB LYS A 34 8.055 -2.888 6.728 1.00 0.00 C ATOM 214 CG LYS A 34 7.099 -1.991 7.475 1.00 0.00 C ATOM 215 CD LYS A 34 6.861 -2.462 8.896 1.00 0.00 C ATOM 216 CE LYS A 34 5.528 -3.179 9.005 1.00 0.00 C ATOM 217 NZ LYS A 34 5.008 -3.182 10.401 1.00 0.00 N ATOM 0 H LYS A 34 8.522 -4.714 4.843 1.00 0.00 H new ATOM 0 HA LYS A 34 7.836 -4.766 7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.050 -2.764 7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.108 -2.550 5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.495 -0.976 7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.148 -1.953 6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.666 -3.130 9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.878 -1.610 9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.803 -2.697 8.349 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.639 -4.206 8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.190 -3.821 10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.754 -3.508 11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.717 -2.219 10.665 1.00 0.00 H new ATOM 231 N ASP A 35 5.746 -5.787 6.691 1.00 0.00 N ATOM 232 CA ASP A 35 4.392 -6.171 6.347 1.00 0.00 C ATOM 233 C ASP A 35 3.391 -5.702 7.383 1.00 0.00 C ATOM 234 O ASP A 35 3.363 -6.170 8.521 1.00 0.00 O ATOM 235 CB ASP A 35 4.295 -7.686 6.176 1.00 0.00 C ATOM 236 CG ASP A 35 4.646 -8.435 7.447 1.00 0.00 C ATOM 237 OD1 ASP A 35 3.730 -8.695 8.255 1.00 0.00 O ATOM 238 OD2 ASP A 35 5.837 -8.762 7.635 1.00 0.00 O ATOM 0 H ASP A 35 6.258 -6.490 7.224 1.00 0.00 H new ATOM 0 HA ASP A 35 4.147 -5.684 5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.283 -7.950 5.870 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.963 -8.002 5.375 1.00 0.00 H new ATOM 243 N LEU A 36 2.576 -4.769 6.950 1.00 0.00 N ATOM 244 CA LEU A 36 1.520 -4.200 7.760 1.00 0.00 C ATOM 245 C LEU A 36 0.349 -3.912 6.841 1.00 0.00 C ATOM 246 O LEU A 36 0.418 -3.026 5.990 1.00 0.00 O ATOM 247 CB LEU A 36 1.989 -2.926 8.471 1.00 0.00 C ATOM 248 CG LEU A 36 1.047 -2.404 9.562 1.00 0.00 C ATOM 249 CD1 LEU A 36 0.580 -3.541 10.460 1.00 0.00 C ATOM 250 CD2 LEU A 36 1.735 -1.329 10.390 1.00 0.00 C ATOM 0 H LEU A 36 2.627 -4.376 6.010 1.00 0.00 H new ATOM 0 HA LEU A 36 1.227 -4.900 8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.965 -3.116 8.917 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.126 -2.142 7.726 1.00 0.00 H new ATOM 0 HG LEU A 36 0.174 -1.967 9.077 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.087 -3.148 11.227 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.049 -4.282 9.862 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.443 -4.008 10.934 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.052 -0.970 11.160 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.625 -1.746 10.861 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.022 -0.500 9.743 1.00 0.00 H new ATOM 262 N LYS A 37 -0.707 -4.690 6.984 1.00 0.00 N ATOM 263 CA LYS A 37 -1.867 -4.540 6.128 1.00 0.00 C ATOM 264 C LYS A 37 -2.834 -3.473 6.629 1.00 0.00 C ATOM 265 O LYS A 37 -3.186 -3.429 7.808 1.00 0.00 O ATOM 266 CB LYS A 37 -2.574 -5.886 5.969 1.00 0.00 C ATOM 267 CG LYS A 37 -3.484 -6.273 7.130 1.00 0.00 C ATOM 268 CD LYS A 37 -2.690 -6.733 8.343 1.00 0.00 C ATOM 269 CE LYS A 37 -2.531 -5.622 9.370 1.00 0.00 C ATOM 270 NZ LYS A 37 -1.797 -6.086 10.580 1.00 0.00 N ATOM 0 H LYS A 37 -0.785 -5.429 7.682 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.513 -4.201 5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.166 -5.863 5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.820 -6.663 5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.105 -5.420 7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.158 -7.069 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.191 -7.584 8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.706 -7.076 8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.997 -4.785 8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.514 -5.253 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.709 -5.300 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.319 -6.868 11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.849 -6.414 10.306 1.00 0.00 H new ATOM 284 N LEU A 38 -3.256 -2.613 5.710 1.00 0.00 N ATOM 285 CA LEU A 38 -4.196 -1.548 6.024 1.00 0.00 C ATOM 286 C LEU A 38 -5.587 -1.901 5.504 1.00 0.00 C ATOM 287 O LEU A 38 -5.729 -2.528 4.448 1.00 0.00 O ATOM 288 CB LEU A 38 -3.738 -0.219 5.400 1.00 0.00 C ATOM 289 CG LEU A 38 -4.829 0.851 5.291 1.00 0.00 C ATOM 290 CD1 LEU A 38 -5.157 1.421 6.662 1.00 0.00 C ATOM 291 CD2 LEU A 38 -4.402 1.950 4.333 1.00 0.00 C ATOM 0 H LEU A 38 -2.958 -2.635 4.735 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.233 -1.436 7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.916 0.180 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.344 -0.419 4.403 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.732 0.387 4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.934 2.179 6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.510 0.622 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.262 1.871 7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.189 2.702 4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.486 2.415 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.225 1.523 3.346 1.00 0.00 H new ATOM 303 N VAL A 39 -6.609 -1.503 6.255 1.00 0.00 N ATOM 304 CA VAL A 39 -7.987 -1.744 5.856 1.00 0.00 C ATOM 305 C VAL A 39 -8.428 -0.669 4.870 1.00 0.00 C ATOM 306 O VAL A 39 -8.558 0.501 5.230 1.00 0.00 O ATOM 307 CB VAL A 39 -8.942 -1.762 7.068 1.00 0.00 C ATOM 308 CG1 VAL A 39 -8.571 -2.886 8.022 1.00 0.00 C ATOM 309 CG2 VAL A 39 -8.934 -0.420 7.788 1.00 0.00 C ATOM 0 H VAL A 39 -6.507 -1.012 7.143 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.032 -2.726 5.385 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.953 -1.941 6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.255 -2.884 8.871 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.641 -3.842 7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.551 -2.740 8.378 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.615 -0.459 8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.926 -0.202 8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.255 0.363 7.101 1.00 0.00 H new ATOM 319 N VAL A 40 -8.649 -1.069 3.625 1.00 0.00 N ATOM 320 CA VAL A 40 -9.042 -0.134 2.585 1.00 0.00 C ATOM 321 C VAL A 40 -10.369 -0.527 1.959 1.00 0.00 C ATOM 322 O VAL A 40 -10.867 -1.633 2.171 1.00 0.00 O ATOM 323 CB VAL A 40 -7.971 -0.056 1.484 1.00 0.00 C ATOM 324 CG1 VAL A 40 -6.671 0.497 2.045 1.00 0.00 C ATOM 325 CG2 VAL A 40 -7.753 -1.423 0.858 1.00 0.00 C ATOM 0 H VAL A 40 -8.562 -2.036 3.313 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.149 0.842 3.057 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.321 0.622 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.924 0.545 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.843 1.497 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.312 -0.154 2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.992 -1.350 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.424 -2.125 1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.687 -1.776 0.420 1.00 0.00 H new ATOM 335 N ARG A 41 -10.927 0.383 1.175 1.00 0.00 N ATOM 336 CA ARG A 41 -12.196 0.143 0.515 1.00 0.00 C ATOM 337 C ARG A 41 -12.292 0.938 -0.784 1.00 0.00 C ATOM 338 O ARG A 41 -12.538 2.138 -0.760 1.00 0.00 O ATOM 339 CB ARG A 41 -13.333 0.514 1.464 1.00 0.00 C ATOM 340 CG ARG A 41 -14.726 0.376 0.864 1.00 0.00 C ATOM 341 CD ARG A 41 -15.129 1.611 0.072 1.00 0.00 C ATOM 342 NE ARG A 41 -16.573 1.674 -0.141 1.00 0.00 N ATOM 343 CZ ARG A 41 -17.219 2.772 -0.526 1.00 0.00 C ATOM 344 NH1 ARG A 41 -16.554 3.901 -0.738 1.00 0.00 N ATOM 345 NH2 ARG A 41 -18.533 2.741 -0.698 1.00 0.00 N ATOM 0 H ARG A 41 -10.517 1.297 0.981 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.273 -0.914 0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.269 -0.116 2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.193 1.544 1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.756 -0.498 0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.449 0.204 1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.801 2.505 0.602 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.620 1.607 -0.892 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.118 0.826 0.015 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.543 3.930 -0.606 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.054 4.740 -1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -19.048 1.876 -0.535 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -19.029 3.582 -0.993 1.00 0.00 H new ATOM 359 N SER A 42 -12.069 0.239 -1.900 1.00 0.00 N ATOM 360 CA SER A 42 -12.117 0.794 -3.267 1.00 0.00 C ATOM 361 C SER A 42 -11.755 2.285 -3.378 1.00 0.00 C ATOM 362 O SER A 42 -10.953 2.660 -4.232 1.00 0.00 O ATOM 363 CB SER A 42 -13.508 0.571 -3.861 1.00 0.00 C ATOM 364 OG SER A 42 -14.504 1.222 -3.090 1.00 0.00 O ATOM 0 H SER A 42 -11.844 -0.756 -1.884 1.00 0.00 H new ATOM 0 HA SER A 42 -11.348 0.258 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.534 0.945 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.720 -0.497 -3.907 1.00 0.00 H new ATOM 0 HG SER A 42 -15.384 1.065 -3.492 1.00 0.00 H new ATOM 370 N THR A 43 -12.331 3.129 -2.531 1.00 0.00 N ATOM 371 CA THR A 43 -12.033 4.555 -2.561 1.00 0.00 C ATOM 372 C THR A 43 -10.648 4.843 -1.989 1.00 0.00 C ATOM 373 O THR A 43 -10.117 5.942 -2.151 1.00 0.00 O ATOM 374 CB THR A 43 -13.078 5.365 -1.773 1.00 0.00 C ATOM 375 OG1 THR A 43 -13.137 4.904 -0.417 1.00 0.00 O ATOM 376 CG2 THR A 43 -14.452 5.244 -2.415 1.00 0.00 C ATOM 0 H THR A 43 -13.005 2.852 -1.817 1.00 0.00 H new ATOM 0 HA THR A 43 -12.061 4.859 -3.607 1.00 0.00 H new ATOM 0 HB THR A 43 -12.778 6.413 -1.787 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.794 3.987 -0.368 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.174 5.825 -1.841 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.411 5.623 -3.436 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.756 4.197 -2.428 1.00 0.00 H new ATOM 384 N ASP A 44 -10.066 3.851 -1.322 1.00 0.00 N ATOM 385 CA ASP A 44 -8.748 3.999 -0.729 1.00 0.00 C ATOM 386 C ASP A 44 -7.650 3.823 -1.777 1.00 0.00 C ATOM 387 O ASP A 44 -7.032 4.797 -2.204 1.00 0.00 O ATOM 388 CB ASP A 44 -8.575 2.988 0.401 1.00 0.00 C ATOM 389 CG ASP A 44 -9.034 3.532 1.739 1.00 0.00 C ATOM 390 OD1 ASP A 44 -10.225 3.363 2.073 1.00 0.00 O ATOM 391 OD2 ASP A 44 -8.201 4.129 2.454 1.00 0.00 O ATOM 0 H ASP A 44 -10.491 2.935 -1.180 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.662 5.007 -0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.139 2.085 0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.526 2.700 0.470 1.00 0.00 H new ATOM 396 N THR A 45 -7.408 2.577 -2.181 1.00 0.00 N ATOM 397 CA THR A 45 -6.390 2.273 -3.185 1.00 0.00 C ATOM 398 C THR A 45 -5.010 2.763 -2.769 1.00 0.00 C ATOM 399 O THR A 45 -4.890 3.661 -1.945 1.00 0.00 O ATOM 400 CB THR A 45 -6.746 2.879 -4.555 1.00 0.00 C ATOM 401 OG1 THR A 45 -6.703 4.310 -4.496 1.00 0.00 O ATOM 402 CG2 THR A 45 -8.129 2.427 -4.988 1.00 0.00 C ATOM 0 H THR A 45 -7.905 1.759 -1.827 1.00 0.00 H new ATOM 0 HA THR A 45 -6.365 1.186 -3.268 1.00 0.00 H new ATOM 0 HB THR A 45 -6.013 2.532 -5.283 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.450 4.593 -3.592 1.00 0.00 H new ATOM 0 HG21 THR A 45 -8.367 2.863 -5.958 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.149 1.340 -5.064 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.865 2.753 -4.253 1.00 0.00 H new ATOM 410 N VAL A 46 -3.982 2.161 -3.351 1.00 0.00 N ATOM 411 CA VAL A 46 -2.583 2.499 -3.074 1.00 0.00 C ATOM 412 C VAL A 46 -2.382 3.970 -2.662 1.00 0.00 C ATOM 413 O VAL A 46 -1.480 4.277 -1.886 1.00 0.00 O ATOM 414 CB VAL A 46 -1.698 2.149 -4.290 1.00 0.00 C ATOM 415 CG1 VAL A 46 -0.463 3.029 -4.357 1.00 0.00 C ATOM 416 CG2 VAL A 46 -1.302 0.676 -4.242 1.00 0.00 C ATOM 0 H VAL A 46 -4.092 1.415 -4.038 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.280 1.898 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.280 2.334 -5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.134 2.752 -5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.764 4.073 -4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.129 2.894 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.678 0.439 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.746 0.478 -3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.199 0.057 -4.262 1.00 0.00 H new ATOM 426 N PHE A 47 -3.205 4.875 -3.187 1.00 0.00 N ATOM 427 CA PHE A 47 -3.108 6.290 -2.825 1.00 0.00 C ATOM 428 C PHE A 47 -3.464 6.459 -1.361 1.00 0.00 C ATOM 429 O PHE A 47 -2.602 6.762 -0.539 1.00 0.00 O ATOM 430 CB PHE A 47 -4.028 7.133 -3.705 1.00 0.00 C ATOM 431 CG PHE A 47 -4.032 8.594 -3.355 1.00 0.00 C ATOM 432 CD1 PHE A 47 -2.997 9.421 -3.761 1.00 0.00 C ATOM 433 CD2 PHE A 47 -5.074 9.140 -2.624 1.00 0.00 C ATOM 434 CE1 PHE A 47 -3.001 10.766 -3.443 1.00 0.00 C ATOM 435 CE2 PHE A 47 -5.083 10.484 -2.303 1.00 0.00 C ATOM 436 CZ PHE A 47 -4.045 11.298 -2.713 1.00 0.00 C ATOM 0 H PHE A 47 -3.941 4.658 -3.859 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.086 6.633 -2.986 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.724 7.019 -4.746 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.044 6.747 -3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.178 9.010 -4.332 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.888 8.508 -2.301 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.188 11.400 -3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.901 10.898 -1.732 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.050 12.349 -2.463 1.00 0.00 H new ATOM 446 N HIS A 48 -4.735 6.272 -1.025 1.00 0.00 N ATOM 447 CA HIS A 48 -5.137 6.357 0.367 1.00 0.00 C ATOM 448 C HIS A 48 -4.313 5.346 1.139 1.00 0.00 C ATOM 449 O HIS A 48 -3.854 5.604 2.249 1.00 0.00 O ATOM 450 CB HIS A 48 -6.615 6.068 0.530 1.00 0.00 C ATOM 451 CG HIS A 48 -7.500 7.102 -0.097 1.00 0.00 C ATOM 452 ND1 HIS A 48 -7.788 7.132 -1.446 1.00 0.00 N ATOM 453 CD2 HIS A 48 -8.162 8.151 0.449 1.00 0.00 C ATOM 454 CE1 HIS A 48 -8.586 8.154 -1.701 1.00 0.00 C ATOM 455 NE2 HIS A 48 -8.828 8.787 -0.569 1.00 0.00 N ATOM 0 H HIS A 48 -5.487 6.065 -1.683 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.966 7.366 0.744 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.838 5.096 0.090 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.848 5.998 1.592 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -7.439 6.469 -2.138 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.165 8.434 1.491 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.974 8.425 -2.672 1.00 0.00 H new ATOM 464 N MET A 49 -4.146 4.174 0.530 1.00 0.00 N ATOM 465 CA MET A 49 -3.305 3.137 1.099 1.00 0.00 C ATOM 466 C MET A 49 -2.012 3.789 1.552 1.00 0.00 C ATOM 467 O MET A 49 -1.555 3.611 2.680 1.00 0.00 O ATOM 468 CB MET A 49 -2.981 2.075 0.050 1.00 0.00 C ATOM 469 CG MET A 49 -2.358 0.815 0.631 1.00 0.00 C ATOM 470 SD MET A 49 -3.518 -0.152 1.610 1.00 0.00 S ATOM 471 CE MET A 49 -4.577 -0.800 0.321 1.00 0.00 C ATOM 0 H MET A 49 -4.584 3.924 -0.357 1.00 0.00 H new ATOM 0 HA MET A 49 -3.822 2.658 1.931 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.896 1.807 -0.478 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.300 2.500 -0.687 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.973 0.198 -0.181 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.506 1.090 1.253 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.149 -1.642 0.709 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.261 -0.020 -0.014 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.967 -1.132 -0.519 1.00 0.00 H new ATOM 481 N LYS A 50 -1.454 4.575 0.633 1.00 0.00 N ATOM 482 CA LYS A 50 -0.229 5.315 0.870 1.00 0.00 C ATOM 483 C LYS A 50 -0.480 6.354 1.945 1.00 0.00 C ATOM 484 O LYS A 50 0.394 6.637 2.764 1.00 0.00 O ATOM 485 CB LYS A 50 0.246 5.988 -0.426 1.00 0.00 C ATOM 486 CG LYS A 50 1.372 6.994 -0.231 1.00 0.00 C ATOM 487 CD LYS A 50 1.413 8.006 -1.366 1.00 0.00 C ATOM 488 CE LYS A 50 2.594 8.954 -1.228 1.00 0.00 C ATOM 489 NZ LYS A 50 2.629 9.961 -2.325 1.00 0.00 N ATOM 0 H LYS A 50 -1.845 4.713 -0.299 1.00 0.00 H new ATOM 0 HA LYS A 50 0.552 4.631 1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.579 5.217 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.601 6.493 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.238 7.514 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.326 6.469 -0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.476 7.482 -2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.486 8.578 -1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.538 9.466 -0.267 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.521 8.381 -1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.448 10.588 -2.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.708 9.474 -3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.755 10.525 -2.307 1.00 0.00 H new ATOM 503 N ARG A 51 -1.684 6.929 1.932 1.00 0.00 N ATOM 504 CA ARG A 51 -2.053 7.918 2.931 1.00 0.00 C ATOM 505 C ARG A 51 -1.679 7.384 4.311 1.00 0.00 C ATOM 506 O ARG A 51 -1.242 8.116 5.203 1.00 0.00 O ATOM 507 CB ARG A 51 -3.550 8.233 2.877 1.00 0.00 C ATOM 508 CG ARG A 51 -3.948 9.431 3.724 1.00 0.00 C ATOM 509 CD ARG A 51 -3.373 10.724 3.169 1.00 0.00 C ATOM 510 NE ARG A 51 -4.008 11.112 1.912 1.00 0.00 N ATOM 511 CZ ARG A 51 -3.660 12.187 1.207 1.00 0.00 C ATOM 512 NH1 ARG A 51 -2.679 12.975 1.628 1.00 0.00 N ATOM 513 NH2 ARG A 51 -4.293 12.473 0.078 1.00 0.00 N ATOM 0 H ARG A 51 -2.410 6.726 1.245 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.515 8.844 2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.837 8.418 1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.109 7.359 3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.035 9.503 3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.599 9.286 4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.502 11.521 3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.301 10.606 3.012 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.762 10.526 1.553 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.188 12.759 2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.416 13.797 1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.047 11.870 -0.251 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.026 13.296 -0.462 1.00 0.00 H new ATOM 527 N ARG A 52 -1.839 6.075 4.459 1.00 0.00 N ATOM 528 CA ARG A 52 -1.513 5.402 5.699 1.00 0.00 C ATOM 529 C ARG A 52 -0.046 5.001 5.705 1.00 0.00 C ATOM 530 O ARG A 52 0.585 4.955 6.757 1.00 0.00 O ATOM 531 CB ARG A 52 -2.406 4.182 5.895 1.00 0.00 C ATOM 532 CG ARG A 52 -3.879 4.536 6.018 1.00 0.00 C ATOM 533 CD ARG A 52 -4.127 5.485 7.180 1.00 0.00 C ATOM 534 NE ARG A 52 -5.546 5.797 7.340 1.00 0.00 N ATOM 535 CZ ARG A 52 -6.023 6.619 8.271 1.00 0.00 C ATOM 536 NH1 ARG A 52 -5.200 7.216 9.125 1.00 0.00 N ATOM 537 NH2 ARG A 52 -7.327 6.848 8.348 1.00 0.00 N ATOM 0 H ARG A 52 -2.195 5.460 3.728 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.689 6.088 6.528 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.271 3.501 5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.090 3.648 6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.223 4.996 5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.463 3.626 6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.748 5.039 8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.569 6.408 7.020 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.209 5.359 6.701 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.196 7.045 9.069 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.572 7.845 9.837 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.964 6.394 7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.693 7.478 9.062 1.00 0.00 H new ATOM 551 N LEU A 53 0.508 4.704 4.528 1.00 0.00 N ATOM 552 CA LEU A 53 1.922 4.350 4.450 1.00 0.00 C ATOM 553 C LEU A 53 2.735 5.395 5.204 1.00 0.00 C ATOM 554 O LEU A 53 3.780 5.099 5.779 1.00 0.00 O ATOM 555 CB LEU A 53 2.390 4.252 2.998 1.00 0.00 C ATOM 556 CG LEU A 53 2.244 2.866 2.360 1.00 0.00 C ATOM 557 CD1 LEU A 53 0.825 2.341 2.518 1.00 0.00 C ATOM 558 CD2 LEU A 53 2.629 2.915 0.890 1.00 0.00 C ATOM 0 H LEU A 53 0.012 4.701 3.637 1.00 0.00 H new ATOM 0 HA LEU A 53 2.068 3.370 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.827 4.970 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.438 4.549 2.949 1.00 0.00 H new ATOM 0 HG LEU A 53 2.919 2.183 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.748 1.356 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.581 2.266 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.128 3.024 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.520 1.923 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.979 3.616 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.665 3.241 0.796 1.00 0.00 H new ATOM 570 N HIS A 54 2.242 6.630 5.179 1.00 0.00 N ATOM 571 CA HIS A 54 2.879 7.723 5.888 1.00 0.00 C ATOM 572 C HIS A 54 2.303 7.835 7.299 1.00 0.00 C ATOM 573 O HIS A 54 3.025 8.114 8.255 1.00 0.00 O ATOM 574 CB HIS A 54 2.707 9.040 5.121 1.00 0.00 C ATOM 575 CG HIS A 54 1.370 9.699 5.288 1.00 0.00 C ATOM 576 ND1 HIS A 54 0.898 10.154 6.502 1.00 0.00 N ATOM 577 CD2 HIS A 54 0.411 9.997 4.380 1.00 0.00 C ATOM 578 CE1 HIS A 54 -0.292 10.701 6.333 1.00 0.00 C ATOM 579 NE2 HIS A 54 -0.610 10.620 5.055 1.00 0.00 N ATOM 0 H HIS A 54 1.398 6.894 4.671 1.00 0.00 H new ATOM 0 HA HIS A 54 3.947 7.518 5.964 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.481 9.736 5.444 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.872 8.850 4.060 1.00 0.00 H new ATOM 0 HD1 HIS A 54 1.391 10.079 7.392 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.443 9.784 3.322 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.901 11.140 7.109 1.00 0.00 H new ATOM 588 N ALA A 55 0.990 7.618 7.418 1.00 0.00 N ATOM 589 CA ALA A 55 0.319 7.693 8.713 1.00 0.00 C ATOM 590 C ALA A 55 0.532 6.430 9.555 1.00 0.00 C ATOM 591 O ALA A 55 1.129 6.489 10.630 1.00 0.00 O ATOM 592 CB ALA A 55 -1.168 7.950 8.520 1.00 0.00 C ATOM 0 H ALA A 55 0.376 7.390 6.636 1.00 0.00 H new ATOM 0 HA ALA A 55 0.765 8.524 9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.657 8.004 9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.309 8.892 7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.605 7.138 7.938 1.00 0.00 H new ATOM 598 N ALA A 56 0.044 5.291 9.064 1.00 0.00 N ATOM 599 CA ALA A 56 0.165 4.028 9.786 1.00 0.00 C ATOM 600 C ALA A 56 1.613 3.552 9.895 1.00 0.00 C ATOM 601 O ALA A 56 2.053 3.135 10.966 1.00 0.00 O ATOM 602 CB ALA A 56 -0.686 2.961 9.115 1.00 0.00 C ATOM 0 H ALA A 56 -0.439 5.219 8.168 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.193 4.202 10.801 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.589 2.022 9.661 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.730 3.275 9.115 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.350 2.820 8.088 1.00 0.00 H new ATOM 608 N GLU A 57 2.353 3.613 8.792 1.00 0.00 N ATOM 609 CA GLU A 57 3.742 3.158 8.792 1.00 0.00 C ATOM 610 C GLU A 57 4.704 4.286 9.155 1.00 0.00 C ATOM 611 O GLU A 57 5.532 4.135 10.054 1.00 0.00 O ATOM 612 CB GLU A 57 4.120 2.569 7.431 1.00 0.00 C ATOM 613 CG GLU A 57 3.007 1.764 6.778 1.00 0.00 C ATOM 614 CD GLU A 57 2.538 0.609 7.638 1.00 0.00 C ATOM 615 OE1 GLU A 57 3.384 -0.221 8.034 1.00 0.00 O ATOM 616 OE2 GLU A 57 1.323 0.535 7.919 1.00 0.00 O ATOM 0 H GLU A 57 2.020 3.969 7.896 1.00 0.00 H new ATOM 0 HA GLU A 57 3.827 2.381 9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.409 3.380 6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.994 1.930 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.163 2.422 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.357 1.379 5.820 1.00 0.00 H new ATOM 623 N GLY A 58 4.598 5.416 8.458 1.00 0.00 N ATOM 624 CA GLY A 58 5.479 6.536 8.742 1.00 0.00 C ATOM 625 C GLY A 58 6.233 7.033 7.520 1.00 0.00 C ATOM 626 O GLY A 58 7.059 7.939 7.625 1.00 0.00 O ATOM 0 H GLY A 58 3.924 5.575 7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.891 7.356 9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.196 6.240 9.507 1.00 0.00 H new ATOM 630 N VAL A 59 5.954 6.447 6.359 1.00 0.00 N ATOM 631 CA VAL A 59 6.612 6.850 5.125 1.00 0.00 C ATOM 632 C VAL A 59 5.835 7.972 4.444 1.00 0.00 C ATOM 633 O VAL A 59 4.946 7.720 3.632 1.00 0.00 O ATOM 634 CB VAL A 59 6.739 5.660 4.156 1.00 0.00 C ATOM 635 CG1 VAL A 59 7.455 6.072 2.881 1.00 0.00 C ATOM 636 CG2 VAL A 59 7.465 4.505 4.826 1.00 0.00 C ATOM 0 H VAL A 59 5.277 5.692 6.249 1.00 0.00 H new ATOM 0 HA VAL A 59 7.609 7.206 5.383 1.00 0.00 H new ATOM 0 HB VAL A 59 5.735 5.331 3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.532 5.214 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.893 6.866 2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.454 6.432 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.546 3.672 4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.463 4.827 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.907 4.187 5.707 1.00 0.00 H new ATOM 682 N SER A 63 9.741 8.309 0.121 1.00 0.00 N ATOM 683 CA SER A 63 10.029 6.921 0.455 1.00 0.00 C ATOM 684 C SER A 63 8.802 6.034 0.261 1.00 0.00 C ATOM 685 O SER A 63 8.755 4.914 0.766 1.00 0.00 O ATOM 686 CB SER A 63 10.504 6.834 1.904 1.00 0.00 C ATOM 687 OG SER A 63 11.798 7.391 2.054 1.00 0.00 O ATOM 0 HA SER A 63 10.811 6.564 -0.216 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.802 7.359 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.515 5.792 2.224 1.00 0.00 H new ATOM 0 HG SER A 63 11.924 8.107 1.397 1.00 0.00 H new ATOM 693 N GLN A 64 7.810 6.530 -0.472 1.00 0.00 N ATOM 694 CA GLN A 64 6.591 5.771 -0.706 1.00 0.00 C ATOM 695 C GLN A 64 6.521 5.254 -2.141 1.00 0.00 C ATOM 696 O GLN A 64 5.704 5.719 -2.936 1.00 0.00 O ATOM 697 CB GLN A 64 5.370 6.644 -0.410 1.00 0.00 C ATOM 698 CG GLN A 64 5.443 7.353 0.933 1.00 0.00 C ATOM 699 CD GLN A 64 4.358 8.398 1.101 1.00 0.00 C ATOM 700 OE1 GLN A 64 4.532 9.556 0.723 1.00 0.00 O ATOM 701 NE2 GLN A 64 3.233 7.994 1.678 1.00 0.00 N ATOM 0 H GLN A 64 7.828 7.450 -0.912 1.00 0.00 H new ATOM 0 HA GLN A 64 6.598 4.910 -0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.265 7.388 -1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.474 6.023 -0.436 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.360 6.617 1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.419 7.828 1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.132 7.024 1.976 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.469 8.654 1.824 1.00 0.00 H new ATOM 710 N ARG A 65 7.380 4.294 -2.473 1.00 0.00 N ATOM 711 CA ARG A 65 7.380 3.717 -3.814 1.00 0.00 C ATOM 712 C ARG A 65 6.528 2.451 -3.845 1.00 0.00 C ATOM 713 O ARG A 65 6.974 1.383 -3.429 1.00 0.00 O ATOM 714 CB ARG A 65 8.806 3.405 -4.265 1.00 0.00 C ATOM 715 CG ARG A 65 9.735 4.608 -4.222 1.00 0.00 C ATOM 716 CD ARG A 65 11.093 4.286 -4.824 1.00 0.00 C ATOM 717 NE ARG A 65 11.989 5.440 -4.802 1.00 0.00 N ATOM 718 CZ ARG A 65 13.283 5.379 -5.106 1.00 0.00 C ATOM 719 NH1 ARG A 65 13.836 4.223 -5.453 1.00 0.00 N ATOM 720 NH2 ARG A 65 14.027 6.476 -5.063 1.00 0.00 N ATOM 0 H ARG A 65 8.078 3.903 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 65 6.952 4.446 -4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.215 2.618 -3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.779 3.013 -5.282 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.283 5.438 -4.765 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.862 4.934 -3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.548 3.463 -4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.963 3.948 -5.852 1.00 0.00 H new ATOM 0 HE ARG A 65 11.600 6.345 -4.538 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.268 3.376 -5.488 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.828 4.182 -5.685 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.607 7.367 -4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.019 6.429 -5.296 1.00 0.00 H new ATOM 734 N TRP A 66 5.303 2.582 -4.349 1.00 0.00 N ATOM 735 CA TRP A 66 4.367 1.456 -4.419 1.00 0.00 C ATOM 736 C TRP A 66 4.790 0.447 -5.482 1.00 0.00 C ATOM 737 O TRP A 66 5.067 0.814 -6.623 1.00 0.00 O ATOM 738 CB TRP A 66 2.948 1.950 -4.726 1.00 0.00 C ATOM 739 CG TRP A 66 2.688 3.359 -4.286 1.00 0.00 C ATOM 740 CD1 TRP A 66 2.482 3.797 -3.010 1.00 0.00 C ATOM 741 CD2 TRP A 66 2.612 4.516 -5.126 1.00 0.00 C ATOM 742 NE1 TRP A 66 2.284 5.156 -3.005 1.00 0.00 N ATOM 743 CE2 TRP A 66 2.358 5.621 -4.293 1.00 0.00 C ATOM 744 CE3 TRP A 66 2.735 4.724 -6.503 1.00 0.00 C ATOM 745 CZ2 TRP A 66 2.225 6.915 -4.793 1.00 0.00 C ATOM 746 CZ3 TRP A 66 2.603 6.008 -6.997 1.00 0.00 C ATOM 747 CH2 TRP A 66 2.350 7.089 -6.144 1.00 0.00 C ATOM 0 H TRP A 66 4.932 3.458 -4.717 1.00 0.00 H new ATOM 0 HA TRP A 66 4.378 0.965 -3.446 1.00 0.00 H new ATOM 0 HB2 TRP A 66 2.772 1.876 -5.799 1.00 0.00 H new ATOM 0 HB3 TRP A 66 2.230 1.289 -4.239 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.476 3.167 -2.133 1.00 0.00 H new ATOM 0 HE1 TRP A 66 2.110 5.727 -2.178 1.00 0.00 H new ATOM 0 HE3 TRP A 66 2.930 3.896 -7.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.030 7.751 -4.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 2.697 6.180 -8.059 1.00 0.00 H new ATOM 0 HH2 TRP A 66 2.252 8.080 -6.561 1.00 0.00 H new ATOM 758 N PHE A 67 4.819 -0.828 -5.104 1.00 0.00 N ATOM 759 CA PHE A 67 5.207 -1.891 -6.026 1.00 0.00 C ATOM 760 C PHE A 67 4.517 -3.208 -5.687 1.00 0.00 C ATOM 761 O PHE A 67 4.544 -3.656 -4.544 1.00 0.00 O ATOM 762 CB PHE A 67 6.722 -2.094 -6.001 1.00 0.00 C ATOM 763 CG PHE A 67 7.475 -1.127 -6.870 1.00 0.00 C ATOM 764 CD1 PHE A 67 7.722 0.168 -6.445 1.00 0.00 C ATOM 765 CD2 PHE A 67 7.937 -1.519 -8.117 1.00 0.00 C ATOM 766 CE1 PHE A 67 8.415 1.055 -7.248 1.00 0.00 C ATOM 767 CE2 PHE A 67 8.630 -0.636 -8.923 1.00 0.00 C ATOM 768 CZ PHE A 67 8.869 0.652 -8.488 1.00 0.00 C ATOM 0 H PHE A 67 4.579 -1.150 -4.166 1.00 0.00 H new ATOM 0 HA PHE A 67 4.894 -1.584 -7.024 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.076 -1.998 -4.974 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.949 -3.111 -6.322 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.369 0.488 -5.476 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.753 -2.526 -8.462 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.601 2.062 -6.906 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.984 -0.953 -9.893 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.410 1.343 -9.117 1.00 0.00 H new ATOM 778 N PHE A 68 3.904 -3.823 -6.691 1.00 0.00 N ATOM 779 CA PHE A 68 3.219 -5.097 -6.508 1.00 0.00 C ATOM 780 C PHE A 68 3.663 -6.101 -7.567 1.00 0.00 C ATOM 781 O PHE A 68 3.558 -5.841 -8.765 1.00 0.00 O ATOM 782 CB PHE A 68 1.707 -4.903 -6.581 1.00 0.00 C ATOM 783 CG PHE A 68 0.926 -6.173 -6.392 1.00 0.00 C ATOM 784 CD1 PHE A 68 0.814 -6.752 -5.138 1.00 0.00 C ATOM 785 CD2 PHE A 68 0.308 -6.789 -7.468 1.00 0.00 C ATOM 786 CE1 PHE A 68 0.098 -7.921 -4.961 1.00 0.00 C ATOM 787 CE2 PHE A 68 -0.409 -7.958 -7.297 1.00 0.00 C ATOM 788 CZ PHE A 68 -0.513 -8.525 -6.042 1.00 0.00 C ATOM 0 H PHE A 68 3.867 -3.459 -7.643 1.00 0.00 H new ATOM 0 HA PHE A 68 3.480 -5.486 -5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.405 -4.184 -5.820 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.451 -4.470 -7.548 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.291 -6.285 -4.289 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.387 -6.351 -8.452 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.017 -8.362 -3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.887 -8.428 -8.144 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.071 -9.439 -5.906 1.00 0.00 H new ATOM 798 N SER A 69 4.165 -7.246 -7.115 1.00 0.00 N ATOM 799 CA SER A 69 4.628 -8.297 -8.019 1.00 0.00 C ATOM 800 C SER A 69 5.869 -7.861 -8.801 1.00 0.00 C ATOM 801 O SER A 69 6.331 -8.577 -9.689 1.00 0.00 O ATOM 802 CB SER A 69 3.515 -8.697 -8.991 1.00 0.00 C ATOM 803 OG SER A 69 2.357 -9.122 -8.293 1.00 0.00 O ATOM 0 H SER A 69 4.262 -7.471 -6.125 1.00 0.00 H new ATOM 0 HA SER A 69 4.898 -9.158 -7.408 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.267 -7.851 -9.633 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.866 -9.498 -9.641 1.00 0.00 H new ATOM 0 HG SER A 69 1.774 -8.352 -8.126 1.00 0.00 H new ATOM 809 N GLY A 70 6.408 -6.687 -8.471 1.00 0.00 N ATOM 810 CA GLY A 70 7.591 -6.200 -9.158 1.00 0.00 C ATOM 811 C GLY A 70 7.301 -5.034 -10.087 1.00 0.00 C ATOM 812 O GLY A 70 8.165 -4.625 -10.863 1.00 0.00 O ATOM 0 H GLY A 70 6.047 -6.069 -7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.332 -5.894 -8.420 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.031 -7.015 -9.733 1.00 0.00 H new ATOM 816 N ARG A 71 6.088 -4.495 -10.011 1.00 0.00 N ATOM 817 CA ARG A 71 5.698 -3.370 -10.853 1.00 0.00 C ATOM 818 C ARG A 71 5.127 -2.235 -10.008 1.00 0.00 C ATOM 819 O ARG A 71 4.496 -2.478 -8.980 1.00 0.00 O ATOM 820 CB ARG A 71 4.669 -3.817 -11.893 1.00 0.00 C ATOM 821 CG ARG A 71 5.186 -4.890 -12.837 1.00 0.00 C ATOM 822 CD ARG A 71 6.431 -4.428 -13.578 1.00 0.00 C ATOM 823 NE ARG A 71 6.189 -3.209 -14.346 1.00 0.00 N ATOM 824 CZ ARG A 71 7.156 -2.461 -14.872 1.00 0.00 C ATOM 825 NH1 ARG A 71 8.429 -2.803 -14.716 1.00 0.00 N ATOM 826 NH2 ARG A 71 6.850 -1.366 -15.555 1.00 0.00 N ATOM 0 H ARG A 71 5.359 -4.819 -9.375 1.00 0.00 H new ATOM 0 HA ARG A 71 6.587 -3.005 -11.368 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.784 -4.193 -11.379 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.355 -2.952 -12.477 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.412 -5.795 -12.272 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.409 -5.149 -13.556 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.235 -4.253 -12.863 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.768 -5.218 -14.249 1.00 0.00 H new ATOM 0 HE ARG A 71 5.223 -2.914 -14.487 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.671 -3.643 -14.191 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.166 -2.226 -15.122 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.874 -1.097 -15.677 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.591 -0.793 -15.958 1.00 0.00 H new ATOM 840 N PRO A 72 5.334 -0.977 -10.435 1.00 0.00 N ATOM 841 CA PRO A 72 4.838 0.193 -9.703 1.00 0.00 C ATOM 842 C PRO A 72 3.320 0.307 -9.763 1.00 0.00 C ATOM 843 O PRO A 72 2.735 0.358 -10.845 1.00 0.00 O ATOM 844 CB PRO A 72 5.492 1.372 -10.427 1.00 0.00 C ATOM 845 CG PRO A 72 5.762 0.869 -11.804 1.00 0.00 C ATOM 846 CD PRO A 72 6.063 -0.597 -11.659 1.00 0.00 C ATOM 0 HA PRO A 72 5.080 0.143 -8.641 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.833 2.240 -10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.412 1.680 -9.931 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.901 1.028 -12.453 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.603 1.397 -12.254 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.720 -1.165 -12.524 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.133 -0.780 -11.562 1.00 0.00 H new ATOM 854 N LEU A 73 2.683 0.349 -8.594 1.00 0.00 N ATOM 855 CA LEU A 73 1.226 0.446 -8.529 1.00 0.00 C ATOM 856 C LEU A 73 0.743 1.886 -8.680 1.00 0.00 C ATOM 857 O LEU A 73 1.509 2.834 -8.511 1.00 0.00 O ATOM 858 CB LEU A 73 0.711 -0.132 -7.208 1.00 0.00 C ATOM 859 CG LEU A 73 0.676 -1.663 -7.119 1.00 0.00 C ATOM 860 CD1 LEU A 73 -0.250 -2.100 -5.997 1.00 0.00 C ATOM 861 CD2 LEU A 73 0.233 -2.282 -8.438 1.00 0.00 C ATOM 0 H LEU A 73 3.148 0.318 -7.687 1.00 0.00 H new ATOM 0 HA LEU A 73 0.828 -0.133 -9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.336 0.246 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.297 0.246 -7.036 1.00 0.00 H new ATOM 0 HG LEU A 73 1.686 -2.013 -6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.267 -3.189 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.109 -1.695 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.257 -1.730 -6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.218 -3.368 -8.344 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.766 -1.926 -8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.929 -1.996 -9.226 1.00 0.00 H new ATOM 872 N THR A 74 -0.542 2.034 -9.004 1.00 0.00 N ATOM 873 CA THR A 74 -1.150 3.349 -9.176 1.00 0.00 C ATOM 874 C THR A 74 -2.100 3.664 -8.024 1.00 0.00 C ATOM 875 O THR A 74 -2.194 2.908 -7.063 1.00 0.00 O ATOM 876 CB THR A 74 -1.918 3.452 -10.507 1.00 0.00 C ATOM 877 OG1 THR A 74 -3.118 2.678 -10.445 1.00 0.00 O ATOM 878 CG2 THR A 74 -1.058 2.970 -11.666 1.00 0.00 C ATOM 0 H THR A 74 -1.182 1.254 -9.153 1.00 0.00 H new ATOM 0 HA THR A 74 -0.336 4.074 -9.186 1.00 0.00 H new ATOM 0 HB THR A 74 -2.172 4.499 -10.672 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.623 2.790 -11.277 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.621 3.052 -12.596 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.159 3.583 -11.731 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.777 1.930 -11.503 1.00 0.00 H new ATOM 886 N ASP A 75 -2.810 4.779 -8.142 1.00 0.00 N ATOM 887 CA ASP A 75 -3.746 5.224 -7.113 1.00 0.00 C ATOM 888 C ASP A 75 -5.151 4.674 -7.341 1.00 0.00 C ATOM 889 O ASP A 75 -6.133 5.258 -6.883 1.00 0.00 O ATOM 890 CB ASP A 75 -3.797 6.752 -7.090 1.00 0.00 C ATOM 891 CG ASP A 75 -4.073 7.342 -8.459 1.00 0.00 C ATOM 892 OD1 ASP A 75 -5.261 7.529 -8.795 1.00 0.00 O ATOM 893 OD2 ASP A 75 -3.101 7.616 -9.194 1.00 0.00 O ATOM 0 H ASP A 75 -2.755 5.399 -8.950 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.389 4.843 -6.156 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.571 7.076 -6.395 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.849 7.139 -6.715 1.00 0.00 H new ATOM 898 N LYS A 76 -5.245 3.551 -8.042 1.00 0.00 N ATOM 899 CA LYS A 76 -6.537 2.939 -8.332 1.00 0.00 C ATOM 900 C LYS A 76 -6.414 1.423 -8.393 1.00 0.00 C ATOM 901 O LYS A 76 -7.138 0.761 -9.134 1.00 0.00 O ATOM 902 CB LYS A 76 -7.069 3.468 -9.665 1.00 0.00 C ATOM 903 CG LYS A 76 -7.592 4.896 -9.602 1.00 0.00 C ATOM 904 CD LYS A 76 -9.070 4.945 -9.240 1.00 0.00 C ATOM 905 CE LYS A 76 -9.338 4.336 -7.873 1.00 0.00 C ATOM 906 NZ LYS A 76 -10.751 4.529 -7.446 1.00 0.00 N ATOM 0 H LYS A 76 -4.444 3.046 -8.420 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.231 3.198 -7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.273 3.416 -10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.870 2.814 -10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.019 5.460 -8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.438 5.382 -10.566 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.412 5.980 -9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.647 4.411 -9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.109 3.271 -7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.672 4.787 -7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.892 4.100 -6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.963 5.546 -7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.386 4.076 -8.134 1.00 0.00 H new ATOM 920 N MET A 77 -5.499 0.879 -7.605 1.00 0.00 N ATOM 921 CA MET A 77 -5.264 -0.561 -7.592 1.00 0.00 C ATOM 922 C MET A 77 -6.248 -1.331 -6.708 1.00 0.00 C ATOM 923 O MET A 77 -6.705 -2.408 -7.091 1.00 0.00 O ATOM 924 CB MET A 77 -3.835 -0.856 -7.136 1.00 0.00 C ATOM 925 CG MET A 77 -2.760 -0.270 -8.040 1.00 0.00 C ATOM 926 SD MET A 77 -2.912 -0.800 -9.761 1.00 0.00 S ATOM 927 CE MET A 77 -4.239 0.250 -10.347 1.00 0.00 C ATOM 0 H MET A 77 -4.907 1.410 -6.966 1.00 0.00 H new ATOM 0 HA MET A 77 -5.418 -0.904 -8.615 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.699 -0.465 -6.128 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.699 -1.936 -7.080 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.810 0.818 -7.996 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.779 -0.559 -7.663 1.00 0.00 H new ATOM 0 HE1 MET A 77 -3.982 0.647 -11.329 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.158 -0.331 -10.419 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.385 1.075 -9.649 1.00 0.00 H new ATOM 937 N LYS A 78 -6.630 -0.770 -5.564 1.00 0.00 N ATOM 938 CA LYS A 78 -7.517 -1.491 -4.652 1.00 0.00 C ATOM 939 C LYS A 78 -8.820 -1.877 -5.334 1.00 0.00 C ATOM 940 O LYS A 78 -9.103 -3.063 -5.527 1.00 0.00 O ATOM 941 CB LYS A 78 -7.825 -0.673 -3.401 1.00 0.00 C ATOM 942 CG LYS A 78 -6.823 -0.880 -2.268 1.00 0.00 C ATOM 943 CD LYS A 78 -5.377 -0.845 -2.752 1.00 0.00 C ATOM 944 CE LYS A 78 -4.777 -2.240 -2.831 1.00 0.00 C ATOM 945 NZ LYS A 78 -3.358 -2.208 -3.283 1.00 0.00 N ATOM 0 H LYS A 78 -6.348 0.159 -5.250 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.988 -2.397 -4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.847 0.384 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.822 -0.933 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.969 -0.107 -1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.018 -1.838 -1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.333 -0.374 -3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.782 -0.230 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.836 -2.717 -1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.364 -2.849 -3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.980 -3.176 -3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.306 -1.792 -4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.796 -1.634 -2.623 1.00 0.00 H new ATOM 959 N PHE A 79 -9.609 -0.879 -5.697 1.00 0.00 N ATOM 960 CA PHE A 79 -10.880 -1.125 -6.355 1.00 0.00 C ATOM 961 C PHE A 79 -10.694 -1.827 -7.703 1.00 0.00 C ATOM 962 O PHE A 79 -11.657 -2.336 -8.273 1.00 0.00 O ATOM 963 CB PHE A 79 -11.631 0.191 -6.572 1.00 0.00 C ATOM 964 CG PHE A 79 -13.007 0.011 -7.149 1.00 0.00 C ATOM 965 CD1 PHE A 79 -13.921 -0.838 -6.546 1.00 0.00 C ATOM 966 CD2 PHE A 79 -13.387 0.694 -8.293 1.00 0.00 C ATOM 967 CE1 PHE A 79 -15.188 -1.003 -7.073 1.00 0.00 C ATOM 968 CE2 PHE A 79 -14.653 0.533 -8.825 1.00 0.00 C ATOM 969 CZ PHE A 79 -15.554 -0.317 -8.214 1.00 0.00 C ATOM 0 H PHE A 79 -9.392 0.106 -5.547 1.00 0.00 H new ATOM 0 HA PHE A 79 -11.460 -1.779 -5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.711 0.715 -5.620 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -11.047 0.827 -7.238 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.640 -1.377 -5.653 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.686 1.360 -8.775 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -15.891 -1.668 -6.593 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -14.937 1.071 -9.717 1.00 0.00 H new ATOM 0 HZ PHE A 79 -16.543 -0.445 -8.628 1.00 0.00 H new ATOM 979 N GLU A 80 -9.462 -1.849 -8.221 1.00 0.00 N ATOM 980 CA GLU A 80 -9.200 -2.482 -9.512 1.00 0.00 C ATOM 981 C GLU A 80 -8.831 -3.953 -9.355 1.00 0.00 C ATOM 982 O GLU A 80 -8.976 -4.740 -10.291 1.00 0.00 O ATOM 983 CB GLU A 80 -8.090 -1.743 -10.262 1.00 0.00 C ATOM 984 CG GLU A 80 -8.584 -0.531 -11.037 1.00 0.00 C ATOM 985 CD GLU A 80 -7.508 0.082 -11.912 1.00 0.00 C ATOM 986 OE1 GLU A 80 -7.181 -0.518 -12.958 1.00 0.00 O ATOM 987 OE2 GLU A 80 -6.991 1.161 -11.553 1.00 0.00 O ATOM 0 H GLU A 80 -8.642 -1.441 -7.772 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.121 -2.425 -10.092 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.331 -1.423 -9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.607 -2.434 -10.953 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.430 -0.823 -11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.948 0.220 -10.336 1.00 0.00 H new ATOM 994 N GLU A 81 -8.355 -4.322 -8.172 1.00 0.00 N ATOM 995 CA GLU A 81 -7.962 -5.694 -7.908 1.00 0.00 C ATOM 996 C GLU A 81 -9.140 -6.451 -7.329 1.00 0.00 C ATOM 997 O GLU A 81 -9.677 -7.370 -7.944 1.00 0.00 O ATOM 998 CB GLU A 81 -6.772 -5.739 -6.947 1.00 0.00 C ATOM 999 CG GLU A 81 -6.075 -7.089 -6.902 1.00 0.00 C ATOM 1000 CD GLU A 81 -5.511 -7.498 -8.249 1.00 0.00 C ATOM 1001 OE1 GLU A 81 -4.343 -7.158 -8.532 1.00 0.00 O ATOM 1002 OE2 GLU A 81 -6.239 -8.158 -9.021 1.00 0.00 O ATOM 0 H GLU A 81 -8.233 -3.688 -7.382 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.657 -6.164 -8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.050 -4.977 -7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.116 -5.484 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.268 -7.053 -6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.781 -7.847 -6.562 1.00 0.00 H new ATOM 1009 N LEU A 82 -9.539 -6.033 -6.131 1.00 0.00 N ATOM 1010 CA LEU A 82 -10.658 -6.633 -5.426 1.00 0.00 C ATOM 1011 C LEU A 82 -10.326 -8.042 -4.941 1.00 0.00 C ATOM 1012 O LEU A 82 -11.107 -8.650 -4.208 1.00 0.00 O ATOM 1013 CB LEU A 82 -11.904 -6.670 -6.315 1.00 0.00 C ATOM 1014 CG LEU A 82 -12.341 -5.335 -6.928 1.00 0.00 C ATOM 1015 CD1 LEU A 82 -12.147 -4.192 -5.942 1.00 0.00 C ATOM 1016 CD2 LEU A 82 -11.585 -5.068 -8.215 1.00 0.00 C ATOM 0 H LEU A 82 -9.093 -5.268 -5.625 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.861 -6.011 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.725 -7.376 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -12.733 -7.064 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 82 -13.404 -5.400 -7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.465 -3.256 -6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.743 -4.377 -5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.094 -4.122 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.908 -4.116 -8.636 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.516 -5.029 -8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.787 -5.867 -8.928 1.00 0.00 H new ATOM 1028 N LYS A 83 -9.166 -8.559 -5.342 1.00 0.00 N ATOM 1029 CA LYS A 83 -8.751 -9.895 -4.947 1.00 0.00 C ATOM 1030 C LYS A 83 -7.666 -9.827 -3.879 1.00 0.00 C ATOM 1031 O LYS A 83 -6.839 -10.730 -3.765 1.00 0.00 O ATOM 1032 CB LYS A 83 -8.226 -10.670 -6.158 1.00 0.00 C ATOM 1033 CG LYS A 83 -9.046 -10.485 -7.425 1.00 0.00 C ATOM 1034 CD LYS A 83 -10.320 -11.310 -7.396 1.00 0.00 C ATOM 1035 CE LYS A 83 -11.431 -10.579 -6.670 1.00 0.00 C ATOM 1036 NZ LYS A 83 -12.593 -11.466 -6.389 1.00 0.00 N ATOM 0 H LYS A 83 -8.500 -8.070 -5.940 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.620 -10.411 -4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.200 -10.360 -6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.197 -11.731 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.298 -9.431 -7.545 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.448 -10.770 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.634 -11.534 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.127 -12.264 -6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.048 -10.176 -5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.760 -9.731 -7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.330 -10.926 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.976 -11.831 -7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.286 -12.262 -5.794 1.00 0.00 H new ATOM 1050 N ILE A 84 -7.677 -8.753 -3.098 1.00 0.00 N ATOM 1051 CA ILE A 84 -6.691 -8.562 -2.047 1.00 0.00 C ATOM 1052 C ILE A 84 -7.312 -8.700 -0.655 1.00 0.00 C ATOM 1053 O ILE A 84 -7.305 -7.756 0.132 1.00 0.00 O ATOM 1054 CB ILE A 84 -6.016 -7.178 -2.176 1.00 0.00 C ATOM 1055 CG1 ILE A 84 -7.056 -6.058 -2.050 1.00 0.00 C ATOM 1056 CG2 ILE A 84 -5.279 -7.072 -3.505 1.00 0.00 C ATOM 1057 CD1 ILE A 84 -6.495 -4.677 -2.313 1.00 0.00 C ATOM 0 H ILE A 84 -8.361 -8.000 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.941 -9.344 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.294 -7.068 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.870 -6.249 -2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.484 -6.082 -1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.808 -6.092 -3.583 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.515 -7.847 -3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.986 -7.201 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.287 -3.936 -2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.701 -4.465 -1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.093 -4.634 -3.325 1.00 0.00 H new ATOM 1069 N PRO A 85 -7.856 -9.886 -0.327 1.00 0.00 N ATOM 1070 CA PRO A 85 -8.467 -10.133 0.982 1.00 0.00 C ATOM 1071 C PRO A 85 -7.422 -10.203 2.089 1.00 0.00 C ATOM 1072 O PRO A 85 -7.698 -9.872 3.242 1.00 0.00 O ATOM 1073 CB PRO A 85 -9.150 -11.490 0.805 1.00 0.00 C ATOM 1074 CG PRO A 85 -8.363 -12.166 -0.262 1.00 0.00 C ATOM 1075 CD PRO A 85 -7.921 -11.076 -1.198 1.00 0.00 C ATOM 0 HA PRO A 85 -9.150 -9.336 1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.138 -12.064 1.731 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -10.194 -11.374 0.515 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.506 -12.692 0.158 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.968 -12.908 -0.784 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.953 -11.299 -1.647 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.628 -10.937 -2.016 1.00 0.00 H new ATOM 1083 N LYS A 86 -6.219 -10.637 1.724 1.00 0.00 N ATOM 1084 CA LYS A 86 -5.120 -10.758 2.676 1.00 0.00 C ATOM 1085 C LYS A 86 -3.874 -11.317 1.994 1.00 0.00 C ATOM 1086 O LYS A 86 -2.752 -10.923 2.309 1.00 0.00 O ATOM 1087 CB LYS A 86 -5.523 -11.657 3.848 1.00 0.00 C ATOM 1088 CG LYS A 86 -5.993 -13.041 3.424 1.00 0.00 C ATOM 1089 CD LYS A 86 -4.842 -14.034 3.356 1.00 0.00 C ATOM 1090 CE LYS A 86 -4.571 -14.673 4.709 1.00 0.00 C ATOM 1091 NZ LYS A 86 -4.245 -13.662 5.752 1.00 0.00 N ATOM 0 H LYS A 86 -5.980 -10.912 0.771 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.891 -9.763 3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.673 -11.762 4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.319 -11.170 4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.743 -13.402 4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.476 -12.978 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.073 -14.810 2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.943 -13.526 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.445 -15.245 5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.745 -15.378 4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.872 -14.142 6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.530 -13.002 5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.105 -13.135 6.005 1.00 0.00 H new ATOM 1105 N ASP A 87 -4.081 -12.237 1.058 1.00 0.00 N ATOM 1106 CA ASP A 87 -2.977 -12.856 0.333 1.00 0.00 C ATOM 1107 C ASP A 87 -2.199 -11.824 -0.480 1.00 0.00 C ATOM 1108 O ASP A 87 -0.974 -11.900 -0.582 1.00 0.00 O ATOM 1109 CB ASP A 87 -3.501 -13.958 -0.589 1.00 0.00 C ATOM 1110 CG ASP A 87 -2.386 -14.680 -1.321 1.00 0.00 C ATOM 1111 OD1 ASP A 87 -1.876 -15.685 -0.783 1.00 0.00 O ATOM 1112 OD2 ASP A 87 -2.023 -14.239 -2.432 1.00 0.00 O ATOM 0 H ASP A 87 -5.005 -12.571 0.783 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.299 -13.292 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.072 -14.678 -0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.187 -13.524 -1.316 1.00 0.00 H new ATOM 1117 N TYR A 88 -2.911 -10.862 -1.059 1.00 0.00 N ATOM 1118 CA TYR A 88 -2.274 -9.826 -1.865 1.00 0.00 C ATOM 1119 C TYR A 88 -1.536 -8.818 -0.989 1.00 0.00 C ATOM 1120 O TYR A 88 -2.096 -8.263 -0.038 1.00 0.00 O ATOM 1121 CB TYR A 88 -3.303 -9.121 -2.748 1.00 0.00 C ATOM 1122 CG TYR A 88 -3.725 -9.946 -3.944 1.00 0.00 C ATOM 1123 CD1 TYR A 88 -4.186 -11.247 -3.786 1.00 0.00 C ATOM 1124 CD2 TYR A 88 -3.657 -9.426 -5.231 1.00 0.00 C ATOM 1125 CE1 TYR A 88 -4.568 -12.006 -4.876 1.00 0.00 C ATOM 1126 CE2 TYR A 88 -4.037 -10.180 -6.326 1.00 0.00 C ATOM 1127 CZ TYR A 88 -4.492 -11.468 -6.143 1.00 0.00 C ATOM 1128 OH TYR A 88 -4.871 -12.221 -7.230 1.00 0.00 O ATOM 0 H TYR A 88 -3.925 -10.778 -0.986 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.539 -10.309 -2.509 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.183 -8.882 -2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.887 -8.175 -3.095 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.247 -11.672 -2.795 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.302 -8.417 -5.378 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.924 -13.016 -4.736 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.978 -9.762 -7.320 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.758 -11.694 -8.049 1.00 0.00 H new ATOM 1138 N VAL A 89 -0.273 -8.584 -1.326 1.00 0.00 N ATOM 1139 CA VAL A 89 0.561 -7.663 -0.572 1.00 0.00 C ATOM 1140 C VAL A 89 1.367 -6.752 -1.495 1.00 0.00 C ATOM 1141 O VAL A 89 2.148 -7.225 -2.320 1.00 0.00 O ATOM 1142 CB VAL A 89 1.526 -8.440 0.348 1.00 0.00 C ATOM 1143 CG1 VAL A 89 2.422 -9.358 -0.470 1.00 0.00 C ATOM 1144 CG2 VAL A 89 2.361 -7.493 1.198 1.00 0.00 C ATOM 0 H VAL A 89 0.195 -9.022 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.103 -7.044 0.032 1.00 0.00 H new ATOM 0 HB VAL A 89 0.926 -9.052 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.095 -9.897 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.807 -10.071 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.006 -8.764 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.031 -8.071 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.948 -6.843 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.703 -6.886 1.819 1.00 0.00 H new ATOM 1154 N VAL A 90 1.169 -5.444 -1.353 1.00 0.00 N ATOM 1155 CA VAL A 90 1.895 -4.475 -2.165 1.00 0.00 C ATOM 1156 C VAL A 90 3.195 -4.082 -1.483 1.00 0.00 C ATOM 1157 O VAL A 90 3.193 -3.587 -0.356 1.00 0.00 O ATOM 1158 CB VAL A 90 1.057 -3.210 -2.447 1.00 0.00 C ATOM 1159 CG1 VAL A 90 1.790 -2.294 -3.417 1.00 0.00 C ATOM 1160 CG2 VAL A 90 -0.313 -3.592 -2.989 1.00 0.00 C ATOM 0 H VAL A 90 0.515 -5.033 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 90 2.110 -4.955 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 90 0.913 -2.669 -1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.186 -1.406 -3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.746 -1.998 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.963 -2.821 -4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.892 -2.689 -3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.194 -4.153 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.835 -4.208 -2.257 1.00 0.00 H new ATOM 1170 N GLN A 91 4.305 -4.306 -2.174 1.00 0.00 N ATOM 1171 CA GLN A 91 5.612 -3.991 -1.629 1.00 0.00 C ATOM 1172 C GLN A 91 5.997 -2.554 -1.941 1.00 0.00 C ATOM 1173 O GLN A 91 5.946 -2.122 -3.092 1.00 0.00 O ATOM 1174 CB GLN A 91 6.665 -4.955 -2.181 1.00 0.00 C ATOM 1175 CG GLN A 91 8.063 -4.706 -1.639 1.00 0.00 C ATOM 1176 CD GLN A 91 8.881 -3.780 -2.519 1.00 0.00 C ATOM 1177 OE1 GLN A 91 8.338 -2.918 -3.210 1.00 0.00 O ATOM 1178 NE2 GLN A 91 10.197 -3.954 -2.497 1.00 0.00 N ATOM 0 H GLN A 91 4.323 -4.705 -3.113 1.00 0.00 H new ATOM 0 HA GLN A 91 5.566 -4.104 -0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.369 -5.977 -1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.686 -4.873 -3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.989 -4.277 -0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.584 -5.658 -1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.606 -4.681 -1.910 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.799 -3.361 -3.068 1.00 0.00 H new ATOM 1187 N VAL A 92 6.378 -1.817 -0.908 1.00 0.00 N ATOM 1188 CA VAL A 92 6.776 -0.428 -1.069 1.00 0.00 C ATOM 1189 C VAL A 92 8.286 -0.281 -0.917 1.00 0.00 C ATOM 1190 O VAL A 92 8.966 -1.205 -0.472 1.00 0.00 O ATOM 1191 CB VAL A 92 6.075 0.474 -0.035 1.00 0.00 C ATOM 1192 CG1 VAL A 92 4.561 0.310 -0.109 1.00 0.00 C ATOM 1193 CG2 VAL A 92 6.577 0.165 1.361 1.00 0.00 C ATOM 0 H VAL A 92 6.420 -2.159 0.052 1.00 0.00 H new ATOM 0 HA VAL A 92 6.479 -0.117 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 92 6.314 1.512 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.088 0.957 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.214 0.584 -1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.297 -0.728 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.073 0.810 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.368 -0.878 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.652 0.340 1.408 1.00 0.00 H new ATOM 1203 N ILE A 93 8.804 0.889 -1.270 1.00 0.00 N ATOM 1204 CA ILE A 93 10.229 1.148 -1.155 1.00 0.00 C ATOM 1205 C ILE A 93 10.470 2.428 -0.370 1.00 0.00 C ATOM 1206 O ILE A 93 10.000 3.505 -0.747 1.00 0.00 O ATOM 1207 CB ILE A 93 10.924 1.265 -2.524 1.00 0.00 C ATOM 1208 CG1 ILE A 93 10.249 0.358 -3.556 1.00 0.00 C ATOM 1209 CG2 ILE A 93 12.399 0.916 -2.395 1.00 0.00 C ATOM 1210 CD1 ILE A 93 10.862 0.452 -4.936 1.00 0.00 C ATOM 0 H ILE A 93 8.259 1.669 -1.637 1.00 0.00 H new ATOM 0 HA ILE A 93 10.658 0.293 -0.632 1.00 0.00 H new ATOM 0 HB ILE A 93 10.835 2.295 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.305 -0.675 -3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.192 0.616 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.880 1.002 -3.369 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.875 1.601 -1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.500 -0.106 -2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.334 -0.217 -5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.782 1.476 -5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.912 0.165 -4.888 1.00 0.00 H new ATOM 1222 N VAL A 94 11.196 2.281 0.727 1.00 0.00 N ATOM 1223 CA VAL A 94 11.536 3.394 1.609 1.00 0.00 C ATOM 1224 C VAL A 94 12.968 3.249 2.121 1.00 0.00 C ATOM 1225 O VAL A 94 13.248 2.414 2.981 1.00 0.00 O ATOM 1226 CB VAL A 94 10.560 3.489 2.813 1.00 0.00 C ATOM 1227 CG1 VAL A 94 10.118 2.103 3.261 1.00 0.00 C ATOM 1228 CG2 VAL A 94 11.192 4.243 3.979 1.00 0.00 C ATOM 0 H VAL A 94 11.569 1.383 1.035 1.00 0.00 H new ATOM 0 HA VAL A 94 11.448 4.311 1.026 1.00 0.00 H new ATOM 0 HB VAL A 94 9.683 4.046 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.435 2.194 4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.612 1.599 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 94 10.990 1.522 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.484 4.293 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.093 3.723 4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.451 5.253 3.662 1.00 0.00 H new