USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 573 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 29 SER OG : rot -61:sc= 0.425 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -2.2 K(o=-1.8,f=-16!) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 137:sc= -5.07! (180deg=-0.643!) USER MOD Set 2.2: A 14 HIS : no HE2:sc= -2.72! C(o=-7.8!,f=-17!) USER MOD Single : A 7 LYS NZ :NH3+ -121:sc= -0.794 (180deg=-2.13) USER MOD Single : A 16 LYS NZ :NH3+ -133:sc= 1.14 (180deg=-0.103) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0473) USER MOD Single : A 24 MET CE :methyl 159:sc= -0.0489 (180deg=-0.517) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.303 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 151:sc= -0.129 (180deg=-1.09) USER MOD Single : A 33 GLN : amide:sc= -4.2! C(o=-4.2!,f=-3.2!) USER MOD Single : A 35 THR OG1 : rot -71:sc= 1.16 USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= -0.151 (180deg=-0.629) USER MOD Single : A 54 LYS NZ :NH3+ -144:sc= -0.0599 (180deg=-1.39) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0593) USER MOD Single : A 64 THR OG1 : rot 84:sc= 0.954 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.112) USER MOD Single : A 70 MET CE :methyl 155:sc=-0.00519 (180deg=-0.675) USER MOD Single : A 71 LYS NZ :NH3+ -142:sc= -2.8! (180deg=-3.24!) USER MOD Single : A 73 TYR OH : rot -102:sc= -1.08 USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= 0.287 (180deg=0.214) USER MOD Single : A 81 LYS NZ :NH3+ -121:sc= 0.363 (180deg=-4.35!) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -1.48! (180deg=-2.1!) USER MOD Single : A 83 LYS NZ :NH3+ -140:sc= -0.897! (180deg=-2.81!) USER MOD Single : A 84 TYR OH : rot 131:sc= 0.33 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.258 7.141 11.019 1.00 0.00 N ATOM 32 CA ALA A 3 2.897 7.269 12.466 1.00 0.00 C ATOM 33 C ALA A 3 3.933 7.967 13.369 1.00 0.00 C ATOM 34 O ALA A 3 3.628 8.953 14.010 1.00 0.00 O ATOM 35 CB ALA A 3 2.610 5.844 12.951 1.00 0.00 C ATOM 0 HA ALA A 3 2.038 7.935 12.542 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.339 5.867 14.006 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.787 5.422 12.374 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.500 5.228 12.818 1.00 0.00 H new ATOM 41 N GLU A 4 5.122 7.420 13.400 1.00 0.00 N ATOM 42 CA GLU A 4 6.223 7.996 14.241 1.00 0.00 C ATOM 43 C GLU A 4 6.492 9.474 14.033 1.00 0.00 C ATOM 44 O GLU A 4 6.630 10.234 14.966 1.00 0.00 O ATOM 45 CB GLU A 4 7.562 7.308 13.977 1.00 0.00 C ATOM 46 CG GLU A 4 7.477 5.756 13.877 1.00 0.00 C ATOM 47 CD GLU A 4 8.870 5.182 13.567 1.00 0.00 C ATOM 48 OE1 GLU A 4 9.729 5.291 14.431 1.00 0.00 O ATOM 49 OE2 GLU A 4 8.963 4.672 12.465 1.00 0.00 O ATOM 0 H GLU A 4 5.383 6.587 12.872 1.00 0.00 H new ATOM 0 HA GLU A 4 5.851 7.833 15.253 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.981 7.698 13.049 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.256 7.571 14.775 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.102 5.341 14.812 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.773 5.470 13.096 1.00 0.00 H new ATOM 56 N PHE A 5 6.532 9.814 12.785 1.00 0.00 N ATOM 57 CA PHE A 5 6.807 11.216 12.357 1.00 0.00 C ATOM 58 C PHE A 5 5.599 12.096 12.605 1.00 0.00 C ATOM 59 O PHE A 5 5.758 13.122 13.229 1.00 0.00 O ATOM 60 CB PHE A 5 7.183 11.158 10.886 1.00 0.00 C ATOM 61 CG PHE A 5 7.399 12.559 10.301 1.00 0.00 C ATOM 62 CD1 PHE A 5 6.333 13.237 9.745 1.00 0.00 C ATOM 63 CD2 PHE A 5 8.645 13.159 10.318 1.00 0.00 C ATOM 64 CE1 PHE A 5 6.508 14.490 9.212 1.00 0.00 C ATOM 65 CE2 PHE A 5 8.820 14.421 9.782 1.00 0.00 C ATOM 66 CZ PHE A 5 7.747 15.084 9.228 1.00 0.00 C ATOM 0 H PHE A 5 6.382 9.163 12.015 1.00 0.00 H new ATOM 0 HA PHE A 5 7.622 11.657 12.931 1.00 0.00 H new ATOM 0 HB2 PHE A 5 8.092 10.569 10.766 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.397 10.648 10.329 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.355 12.779 9.729 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.486 12.639 10.752 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.668 15.011 8.778 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.795 14.886 9.797 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.879 16.070 8.807 1.00 0.00 H new ATOM 76 N ASP A 6 4.440 11.727 12.118 1.00 0.00 N ATOM 77 CA ASP A 6 3.235 12.560 12.360 1.00 0.00 C ATOM 78 C ASP A 6 3.147 12.727 13.873 1.00 0.00 C ATOM 79 O ASP A 6 2.929 13.797 14.394 1.00 0.00 O ATOM 80 CB ASP A 6 2.086 11.794 11.755 1.00 0.00 C ATOM 81 CG ASP A 6 2.281 11.761 10.263 1.00 0.00 C ATOM 82 OD1 ASP A 6 3.112 10.982 9.841 1.00 0.00 O ATOM 83 OD2 ASP A 6 1.608 12.500 9.576 1.00 0.00 O ATOM 0 H ASP A 6 4.282 10.885 11.565 1.00 0.00 H new ATOM 0 HA ASP A 6 3.244 13.555 11.916 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.050 10.781 12.157 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.138 12.270 12.005 1.00 0.00 H new ATOM 88 N LYS A 7 3.332 11.630 14.561 1.00 0.00 N ATOM 89 CA LYS A 7 3.285 11.669 16.041 1.00 0.00 C ATOM 90 C LYS A 7 4.369 12.680 16.456 1.00 0.00 C ATOM 91 O LYS A 7 4.086 13.570 17.224 1.00 0.00 O ATOM 92 CB LYS A 7 3.585 10.272 16.580 1.00 0.00 C ATOM 93 CG LYS A 7 3.278 10.243 18.086 1.00 0.00 C ATOM 94 CD LYS A 7 3.619 8.860 18.735 1.00 0.00 C ATOM 95 CE LYS A 7 3.080 7.671 17.911 1.00 0.00 C ATOM 96 NZ LYS A 7 4.141 7.235 16.937 1.00 0.00 N ATOM 0 H LYS A 7 3.513 10.712 14.156 1.00 0.00 H new ATOM 0 HA LYS A 7 2.312 11.966 16.434 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.982 9.529 16.058 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.630 10.016 16.403 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.847 11.027 18.586 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.223 10.466 18.244 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.700 8.767 18.837 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.200 8.821 19.740 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.811 6.846 18.571 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.175 7.961 17.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.773 7.308 15.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.977 7.846 17.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.408 6.249 17.133 1.00 0.00 H new ATOM 110 N ALA A 8 5.582 12.559 15.959 1.00 0.00 N ATOM 111 CA ALA A 8 6.610 13.563 16.383 1.00 0.00 C ATOM 112 C ALA A 8 6.108 15.012 16.163 1.00 0.00 C ATOM 113 O ALA A 8 6.106 15.838 17.043 1.00 0.00 O ATOM 114 CB ALA A 8 7.897 13.288 15.570 1.00 0.00 C ATOM 0 H ALA A 8 5.894 11.840 15.306 1.00 0.00 H new ATOM 0 HA ALA A 8 6.810 13.465 17.450 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.668 14.004 15.856 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.248 12.276 15.775 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.684 13.390 14.506 1.00 0.00 H new ATOM 120 N ALA A 9 5.679 15.241 14.962 1.00 0.00 N ATOM 121 CA ALA A 9 5.147 16.556 14.473 1.00 0.00 C ATOM 122 C ALA A 9 3.985 17.117 15.311 1.00 0.00 C ATOM 123 O ALA A 9 4.011 18.248 15.779 1.00 0.00 O ATOM 124 CB ALA A 9 4.732 16.338 13.005 1.00 0.00 C ATOM 0 H ALA A 9 5.673 14.520 14.241 1.00 0.00 H new ATOM 0 HA ALA A 9 5.924 17.314 14.568 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.336 17.268 12.597 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.600 16.028 12.424 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.966 15.564 12.954 1.00 0.00 H new ATOM 130 N GLU A 10 3.003 16.287 15.509 1.00 0.00 N ATOM 131 CA GLU A 10 1.828 16.713 16.292 1.00 0.00 C ATOM 132 C GLU A 10 2.287 16.883 17.730 1.00 0.00 C ATOM 133 O GLU A 10 1.872 17.843 18.351 1.00 0.00 O ATOM 134 CB GLU A 10 0.745 15.646 16.195 1.00 0.00 C ATOM 135 CG GLU A 10 -0.366 16.014 17.225 1.00 0.00 C ATOM 136 CD GLU A 10 -1.552 15.065 17.077 1.00 0.00 C ATOM 137 OE1 GLU A 10 -2.425 15.403 16.293 1.00 0.00 O ATOM 138 OE2 GLU A 10 -1.489 14.061 17.765 1.00 0.00 O ATOM 0 H GLU A 10 2.969 15.330 15.159 1.00 0.00 H new ATOM 0 HA GLU A 10 1.414 17.649 15.916 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.335 15.606 15.186 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.157 14.660 16.411 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.032 15.956 18.238 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.691 17.043 17.069 1.00 0.00 H new ATOM 145 N GLU A 11 3.112 15.994 18.230 1.00 0.00 N ATOM 146 CA GLU A 11 3.560 16.162 19.627 1.00 0.00 C ATOM 147 C GLU A 11 4.324 17.490 19.707 1.00 0.00 C ATOM 148 O GLU A 11 3.966 18.339 20.490 1.00 0.00 O ATOM 149 CB GLU A 11 4.433 14.960 19.961 1.00 0.00 C ATOM 150 CG GLU A 11 3.542 13.717 20.254 1.00 0.00 C ATOM 151 CD GLU A 11 4.400 12.594 20.817 1.00 0.00 C ATOM 152 OE1 GLU A 11 5.236 12.070 20.098 1.00 0.00 O ATOM 153 OE2 GLU A 11 4.208 12.289 21.978 1.00 0.00 O ATOM 0 H GLU A 11 3.481 15.181 17.737 1.00 0.00 H new ATOM 0 HA GLU A 11 2.742 16.202 20.346 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.106 14.747 19.130 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.056 15.183 20.827 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.757 13.979 20.964 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.048 13.387 19.340 1.00 0.00 H new ATOM 160 N VAL A 12 5.345 17.657 18.905 1.00 0.00 N ATOM 161 CA VAL A 12 6.153 18.919 18.901 1.00 0.00 C ATOM 162 C VAL A 12 5.273 20.153 18.926 1.00 0.00 C ATOM 163 O VAL A 12 5.449 20.970 19.808 1.00 0.00 O ATOM 164 CB VAL A 12 7.097 18.958 17.644 1.00 0.00 C ATOM 165 CG1 VAL A 12 6.643 19.861 16.459 1.00 0.00 C ATOM 166 CG2 VAL A 12 8.444 19.536 18.103 1.00 0.00 C ATOM 0 H VAL A 12 5.661 16.955 18.236 1.00 0.00 H new ATOM 0 HA VAL A 12 6.757 18.923 19.808 1.00 0.00 H new ATOM 0 HB VAL A 12 7.113 17.933 17.273 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.377 19.802 15.655 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.675 19.520 16.092 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.560 20.893 16.799 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.129 19.579 17.256 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.293 20.540 18.499 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.867 18.899 18.880 1.00 0.00 H new ATOM 176 N LYS A 13 4.345 20.292 18.011 1.00 0.00 N ATOM 177 CA LYS A 13 3.511 21.545 18.101 1.00 0.00 C ATOM 178 C LYS A 13 2.653 21.666 19.407 1.00 0.00 C ATOM 179 O LYS A 13 1.848 22.571 19.519 1.00 0.00 O ATOM 180 CB LYS A 13 2.576 21.631 16.857 1.00 0.00 C ATOM 181 CG LYS A 13 1.530 20.498 16.878 1.00 0.00 C ATOM 182 CD LYS A 13 0.177 20.961 16.249 1.00 0.00 C ATOM 183 CE LYS A 13 -0.427 22.205 16.947 1.00 0.00 C ATOM 184 NZ LYS A 13 -0.437 21.980 18.424 1.00 0.00 N ATOM 0 H LYS A 13 4.132 19.645 17.252 1.00 0.00 H new ATOM 0 HA LYS A 13 4.217 22.375 18.130 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.072 22.597 16.842 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.170 21.567 15.945 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.912 19.637 16.330 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.363 20.173 17.905 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.332 21.184 15.193 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.539 20.141 16.299 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.158 23.093 16.706 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.440 22.383 16.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.124 22.845 18.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.401 21.740 18.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.207 21.198 18.660 1.00 0.00 H new ATOM 198 N HIS A 14 2.828 20.772 20.344 1.00 0.00 N ATOM 199 CA HIS A 14 2.093 20.755 21.658 1.00 0.00 C ATOM 200 C HIS A 14 3.045 20.360 22.838 1.00 0.00 C ATOM 201 O HIS A 14 2.534 20.050 23.893 1.00 0.00 O ATOM 202 CB HIS A 14 0.955 19.699 21.696 1.00 0.00 C ATOM 203 CG HIS A 14 -0.168 19.779 20.677 1.00 0.00 C ATOM 204 ND1 HIS A 14 -0.151 19.184 19.538 1.00 0.00 N ATOM 205 CD2 HIS A 14 -1.396 20.410 20.719 1.00 0.00 C ATOM 206 CE1 HIS A 14 -1.264 19.405 18.903 1.00 0.00 C ATOM 207 NE2 HIS A 14 -2.065 20.167 19.609 1.00 0.00 N ATOM 0 H HIS A 14 3.492 20.003 20.249 1.00 0.00 H new ATOM 0 HA HIS A 14 1.695 21.764 21.762 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.417 18.716 21.598 1.00 0.00 H new ATOM 0 HB3 HIS A 14 0.502 19.741 22.687 1.00 0.00 H new ATOM 0 HD1 HIS A 14 0.622 18.621 19.184 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.755 21.013 21.540 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.498 19.013 17.924 1.00 0.00 H new ATOM 215 N LEU A 15 4.351 20.376 22.706 1.00 0.00 N ATOM 216 CA LEU A 15 5.178 19.957 23.901 1.00 0.00 C ATOM 217 C LEU A 15 5.118 20.893 25.128 1.00 0.00 C ATOM 218 O LEU A 15 4.711 22.033 25.025 1.00 0.00 O ATOM 219 CB LEU A 15 6.645 19.797 23.407 1.00 0.00 C ATOM 220 CG LEU A 15 6.694 18.652 22.376 1.00 0.00 C ATOM 221 CD1 LEU A 15 8.075 18.598 21.723 1.00 0.00 C ATOM 222 CD2 LEU A 15 6.473 17.299 23.051 1.00 0.00 C ATOM 0 H LEU A 15 4.867 20.646 21.869 1.00 0.00 H new ATOM 0 HA LEU A 15 4.752 19.026 24.275 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.996 20.726 22.958 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.305 19.579 24.246 1.00 0.00 H new ATOM 0 HG LEU A 15 5.912 18.843 21.641 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.102 17.787 20.996 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.277 19.543 21.219 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.832 18.425 22.488 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.512 16.508 22.302 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.251 17.132 23.796 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.498 17.290 23.537 1.00 0.00 H new ATOM 234 N LYS A 16 5.519 20.390 26.281 1.00 0.00 N ATOM 235 CA LYS A 16 5.510 21.217 27.559 1.00 0.00 C ATOM 236 C LYS A 16 5.923 22.688 27.387 1.00 0.00 C ATOM 237 O LYS A 16 5.342 23.590 27.968 1.00 0.00 O ATOM 238 CB LYS A 16 6.465 20.605 28.648 1.00 0.00 C ATOM 239 CG LYS A 16 6.440 21.496 29.943 1.00 0.00 C ATOM 240 CD LYS A 16 5.029 21.378 30.605 1.00 0.00 C ATOM 241 CE LYS A 16 4.709 22.567 31.507 1.00 0.00 C ATOM 242 NZ LYS A 16 4.473 23.787 30.657 1.00 0.00 N ATOM 0 H LYS A 16 5.856 19.435 26.399 1.00 0.00 H new ATOM 0 HA LYS A 16 4.464 21.188 27.866 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.152 19.589 28.889 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.481 20.542 28.259 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.213 21.172 30.640 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.654 22.535 29.691 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.270 21.302 29.826 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.980 20.459 31.189 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.826 22.354 32.110 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.532 22.745 32.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.005 24.591 31.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.793 23.600 29.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.458 24.014 30.650 1.00 0.00 H new ATOM 256 N THR A 17 6.949 22.802 26.599 1.00 0.00 N ATOM 257 CA THR A 17 7.596 24.107 26.221 1.00 0.00 C ATOM 258 C THR A 17 7.515 24.212 24.706 1.00 0.00 C ATOM 259 O THR A 17 7.298 23.257 23.990 1.00 0.00 O ATOM 260 CB THR A 17 9.112 24.176 26.559 1.00 0.00 C ATOM 261 OG1 THR A 17 9.239 24.067 27.963 1.00 0.00 O ATOM 262 CG2 THR A 17 9.785 25.535 26.316 1.00 0.00 C ATOM 0 H THR A 17 7.401 21.995 26.169 1.00 0.00 H new ATOM 0 HA THR A 17 7.082 24.895 26.772 1.00 0.00 H new ATOM 0 HB THR A 17 9.564 23.405 25.935 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.187 24.105 28.210 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.840 25.472 26.584 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.694 25.803 25.264 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.300 26.296 26.928 1.00 0.00 H new ATOM 270 N LYS A 18 7.739 25.411 24.268 1.00 0.00 N ATOM 271 CA LYS A 18 7.707 25.721 22.807 1.00 0.00 C ATOM 272 C LYS A 18 9.192 25.552 22.357 1.00 0.00 C ATOM 273 O LYS A 18 10.042 26.241 22.895 1.00 0.00 O ATOM 274 CB LYS A 18 7.223 27.185 22.604 1.00 0.00 C ATOM 275 CG LYS A 18 5.845 27.432 23.279 1.00 0.00 C ATOM 276 CD LYS A 18 5.302 28.860 22.898 1.00 0.00 C ATOM 277 CE LYS A 18 6.267 30.002 23.288 1.00 0.00 C ATOM 278 NZ LYS A 18 6.371 30.042 24.785 1.00 0.00 N ATOM 0 H LYS A 18 7.948 26.210 24.867 1.00 0.00 H new ATOM 0 HA LYS A 18 7.032 25.083 22.237 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.960 27.873 23.018 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.150 27.400 21.538 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.135 26.668 22.963 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.942 27.348 24.361 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.120 28.898 21.824 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.342 29.020 23.390 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.249 29.838 22.844 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.900 30.955 22.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.935 30.867 25.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.419 30.113 25.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.831 29.173 25.124 1.00 0.00 H new ATOM 292 N PRO A 19 9.495 24.674 21.428 1.00 0.00 N ATOM 293 CA PRO A 19 10.910 24.487 20.975 1.00 0.00 C ATOM 294 C PRO A 19 11.714 25.794 20.670 1.00 0.00 C ATOM 295 O PRO A 19 11.188 26.760 20.152 1.00 0.00 O ATOM 296 CB PRO A 19 10.745 23.520 19.756 1.00 0.00 C ATOM 297 CG PRO A 19 9.254 23.692 19.343 1.00 0.00 C ATOM 298 CD PRO A 19 8.543 23.791 20.693 1.00 0.00 C ATOM 0 HA PRO A 19 11.542 24.084 21.766 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.419 23.785 18.941 1.00 0.00 H new ATOM 0 HB3 PRO A 19 10.967 22.489 20.031 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.102 24.586 18.738 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.895 22.846 18.757 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.549 24.230 20.608 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.422 22.819 21.172 1.00 0.00 H new ATOM 306 N ALA A 20 12.978 25.781 21.012 1.00 0.00 N ATOM 307 CA ALA A 20 13.851 26.980 20.760 1.00 0.00 C ATOM 308 C ALA A 20 14.024 27.259 19.233 1.00 0.00 C ATOM 309 O ALA A 20 13.845 26.371 18.424 1.00 0.00 O ATOM 310 CB ALA A 20 15.213 26.697 21.446 1.00 0.00 C ATOM 0 H ALA A 20 13.448 24.992 21.456 1.00 0.00 H new ATOM 0 HA ALA A 20 13.393 27.879 21.173 1.00 0.00 H new ATOM 0 HB1 ALA A 20 15.882 27.543 21.289 1.00 0.00 H new ATOM 0 HB2 ALA A 20 15.058 26.550 22.515 1.00 0.00 H new ATOM 0 HB3 ALA A 20 15.657 25.799 21.017 1.00 0.00 H new ATOM 316 N ASP A 21 14.356 28.475 18.881 1.00 0.00 N ATOM 317 CA ASP A 21 14.557 28.868 17.444 1.00 0.00 C ATOM 318 C ASP A 21 15.131 27.705 16.581 1.00 0.00 C ATOM 319 O ASP A 21 14.466 27.132 15.732 1.00 0.00 O ATOM 320 CB ASP A 21 15.473 30.117 17.536 1.00 0.00 C ATOM 321 CG ASP A 21 15.915 30.696 16.196 1.00 0.00 C ATOM 322 OD1 ASP A 21 15.550 30.144 15.170 1.00 0.00 O ATOM 323 OD2 ASP A 21 16.608 31.689 16.300 1.00 0.00 O ATOM 0 H ASP A 21 14.501 29.235 19.545 1.00 0.00 H new ATOM 0 HA ASP A 21 13.627 29.097 16.924 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.948 30.893 18.094 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.361 29.855 18.112 1.00 0.00 H new ATOM 328 N GLU A 22 16.370 27.392 16.846 1.00 0.00 N ATOM 329 CA GLU A 22 17.068 26.293 16.114 1.00 0.00 C ATOM 330 C GLU A 22 16.251 25.008 16.024 1.00 0.00 C ATOM 331 O GLU A 22 16.355 24.266 15.067 1.00 0.00 O ATOM 332 CB GLU A 22 18.405 25.928 16.813 1.00 0.00 C ATOM 333 CG GLU A 22 19.432 27.080 16.892 1.00 0.00 C ATOM 334 CD GLU A 22 20.743 26.498 17.439 1.00 0.00 C ATOM 335 OE1 GLU A 22 20.803 26.287 18.642 1.00 0.00 O ATOM 336 OE2 GLU A 22 21.613 26.283 16.610 1.00 0.00 O ATOM 0 H GLU A 22 16.939 27.859 17.552 1.00 0.00 H new ATOM 0 HA GLU A 22 17.229 26.683 15.109 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.188 25.584 17.824 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.859 25.091 16.282 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.590 27.520 15.907 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.066 27.875 17.541 1.00 0.00 H new ATOM 343 N GLU A 23 15.443 24.766 17.015 1.00 0.00 N ATOM 344 CA GLU A 23 14.615 23.529 17.018 1.00 0.00 C ATOM 345 C GLU A 23 13.423 23.814 16.107 1.00 0.00 C ATOM 346 O GLU A 23 13.119 22.972 15.286 1.00 0.00 O ATOM 347 CB GLU A 23 14.249 23.234 18.504 1.00 0.00 C ATOM 348 CG GLU A 23 15.620 23.149 19.276 1.00 0.00 C ATOM 349 CD GLU A 23 15.540 22.439 20.616 1.00 0.00 C ATOM 350 OE1 GLU A 23 14.848 22.914 21.506 1.00 0.00 O ATOM 351 OE2 GLU A 23 16.200 21.416 20.702 1.00 0.00 O ATOM 0 H GLU A 23 15.319 25.373 17.826 1.00 0.00 H new ATOM 0 HA GLU A 23 15.110 22.636 16.636 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.617 24.022 18.915 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.693 22.301 18.592 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.346 22.633 18.648 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.997 24.159 19.435 1.00 0.00 H new ATOM 358 N MET A 24 12.799 24.955 16.264 1.00 0.00 N ATOM 359 CA MET A 24 11.630 25.300 15.387 1.00 0.00 C ATOM 360 C MET A 24 12.132 25.066 13.949 1.00 0.00 C ATOM 361 O MET A 24 11.481 24.431 13.138 1.00 0.00 O ATOM 362 CB MET A 24 11.238 26.784 15.578 1.00 0.00 C ATOM 363 CG MET A 24 10.733 27.057 17.003 1.00 0.00 C ATOM 364 SD MET A 24 9.919 28.658 17.235 1.00 0.00 S ATOM 365 CE MET A 24 8.423 28.329 16.267 1.00 0.00 C ATOM 0 H MET A 24 13.045 25.662 16.957 1.00 0.00 H new ATOM 0 HA MET A 24 10.749 24.702 15.621 1.00 0.00 H new ATOM 0 HB2 MET A 24 12.100 27.418 15.369 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.463 27.052 14.859 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.035 26.268 17.282 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.577 26.993 17.690 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.634 29.016 16.572 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.637 28.470 15.208 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.097 27.303 16.438 1.00 0.00 H new ATOM 375 N LEU A 25 13.308 25.605 13.720 1.00 0.00 N ATOM 376 CA LEU A 25 13.990 25.506 12.422 1.00 0.00 C ATOM 377 C LEU A 25 14.374 24.077 12.088 1.00 0.00 C ATOM 378 O LEU A 25 14.123 23.660 10.985 1.00 0.00 O ATOM 379 CB LEU A 25 15.201 26.425 12.514 1.00 0.00 C ATOM 380 CG LEU A 25 14.789 27.872 12.219 1.00 0.00 C ATOM 381 CD1 LEU A 25 16.004 28.735 12.512 1.00 0.00 C ATOM 382 CD2 LEU A 25 14.460 28.022 10.727 1.00 0.00 C ATOM 0 H LEU A 25 13.831 26.129 14.422 1.00 0.00 H new ATOM 0 HA LEU A 25 13.333 25.811 11.608 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.642 26.360 13.509 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.965 26.105 11.805 1.00 0.00 H new ATOM 0 HG LEU A 25 13.921 28.154 12.815 1.00 0.00 H new ATOM 0 HD11 LEU A 25 15.763 29.780 12.317 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.290 28.617 13.557 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.831 28.428 11.872 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.168 29.052 10.521 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.338 27.768 10.133 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.640 27.353 10.466 1.00 0.00 H new ATOM 394 N PHE A 26 14.941 23.337 13.004 1.00 0.00 N ATOM 395 CA PHE A 26 15.332 21.927 12.679 1.00 0.00 C ATOM 396 C PHE A 26 14.047 21.227 12.228 1.00 0.00 C ATOM 397 O PHE A 26 14.027 20.576 11.207 1.00 0.00 O ATOM 398 CB PHE A 26 15.924 21.278 13.931 1.00 0.00 C ATOM 399 CG PHE A 26 16.508 19.917 13.522 1.00 0.00 C ATOM 400 CD1 PHE A 26 15.691 18.821 13.342 1.00 0.00 C ATOM 401 CD2 PHE A 26 17.865 19.781 13.316 1.00 0.00 C ATOM 402 CE1 PHE A 26 16.220 17.607 12.961 1.00 0.00 C ATOM 403 CE2 PHE A 26 18.402 18.567 12.935 1.00 0.00 C ATOM 404 CZ PHE A 26 17.574 17.479 12.757 1.00 0.00 C ATOM 0 H PHE A 26 15.150 23.641 13.955 1.00 0.00 H new ATOM 0 HA PHE A 26 16.087 21.864 11.895 1.00 0.00 H new ATOM 0 HB2 PHE A 26 16.699 21.913 14.360 1.00 0.00 H new ATOM 0 HB3 PHE A 26 15.157 21.151 14.695 1.00 0.00 H new ATOM 0 HD1 PHE A 26 14.627 18.915 13.501 1.00 0.00 H new ATOM 0 HD2 PHE A 26 18.514 20.633 13.454 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.571 16.755 12.822 1.00 0.00 H new ATOM 0 HE2 PHE A 26 19.466 18.470 12.777 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.988 16.528 12.458 1.00 0.00 H new ATOM 414 N ILE A 27 13.020 21.404 13.025 1.00 0.00 N ATOM 415 CA ILE A 27 11.687 20.804 12.728 1.00 0.00 C ATOM 416 C ILE A 27 11.339 21.406 11.368 1.00 0.00 C ATOM 417 O ILE A 27 11.577 20.745 10.394 1.00 0.00 O ATOM 418 CB ILE A 27 10.696 21.235 13.865 1.00 0.00 C ATOM 419 CG1 ILE A 27 10.723 20.260 15.094 1.00 0.00 C ATOM 420 CG2 ILE A 27 9.197 21.322 13.399 1.00 0.00 C ATOM 421 CD1 ILE A 27 12.149 19.889 15.562 1.00 0.00 C ATOM 0 H ILE A 27 13.054 21.951 13.885 1.00 0.00 H new ATOM 0 HA ILE A 27 11.652 19.715 12.694 1.00 0.00 H new ATOM 0 HB ILE A 27 11.055 22.225 14.145 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.186 20.720 15.924 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.186 19.347 14.834 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.572 21.626 14.239 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.107 22.054 12.597 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.871 20.347 13.038 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.088 19.213 16.415 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.683 19.399 14.748 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.683 20.793 15.854 1.00 0.00 H new ATOM 433 N TYR A 28 10.792 22.589 11.303 1.00 0.00 N ATOM 434 CA TYR A 28 10.454 23.204 9.970 1.00 0.00 C ATOM 435 C TYR A 28 11.277 22.655 8.780 1.00 0.00 C ATOM 436 O TYR A 28 10.737 22.127 7.829 1.00 0.00 O ATOM 437 CB TYR A 28 10.651 24.731 10.008 1.00 0.00 C ATOM 438 CG TYR A 28 9.981 25.258 8.713 1.00 0.00 C ATOM 439 CD1 TYR A 28 10.660 25.284 7.505 1.00 0.00 C ATOM 440 CD2 TYR A 28 8.666 25.680 8.738 1.00 0.00 C ATOM 441 CE1 TYR A 28 10.040 25.719 6.355 1.00 0.00 C ATOM 442 CE2 TYR A 28 8.042 26.116 7.577 1.00 0.00 C ATOM 443 CZ TYR A 28 8.726 26.136 6.379 1.00 0.00 C ATOM 444 OH TYR A 28 8.112 26.559 5.215 1.00 0.00 O ATOM 0 H TYR A 28 10.561 23.164 12.113 1.00 0.00 H new ATOM 0 HA TYR A 28 9.411 22.934 9.804 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.190 25.166 10.895 1.00 0.00 H new ATOM 0 HB3 TYR A 28 11.709 24.991 10.038 1.00 0.00 H new ATOM 0 HD1 TYR A 28 11.689 24.959 7.465 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.118 25.671 9.669 1.00 0.00 H new ATOM 0 HE1 TYR A 28 10.589 25.734 5.425 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.013 26.442 7.612 1.00 0.00 H new ATOM 0 HH TYR A 28 7.187 26.817 5.408 1.00 0.00 H new ATOM 454 N SER A 29 12.580 22.757 8.857 1.00 0.00 N ATOM 455 CA SER A 29 13.481 22.274 7.766 1.00 0.00 C ATOM 456 C SER A 29 13.271 20.792 7.442 1.00 0.00 C ATOM 457 O SER A 29 12.924 20.409 6.339 1.00 0.00 O ATOM 458 CB SER A 29 14.939 22.559 8.238 1.00 0.00 C ATOM 459 OG SER A 29 15.139 21.797 9.430 1.00 0.00 O ATOM 0 H SER A 29 13.070 23.166 9.653 1.00 0.00 H new ATOM 0 HA SER A 29 13.259 22.797 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 29 15.658 22.273 7.470 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.083 23.622 8.429 1.00 0.00 H new ATOM 0 HG SER A 29 14.500 22.086 10.114 1.00 0.00 H new ATOM 465 N HIS A 30 13.483 19.987 8.438 1.00 0.00 N ATOM 466 CA HIS A 30 13.330 18.510 8.318 1.00 0.00 C ATOM 467 C HIS A 30 11.879 18.104 8.040 1.00 0.00 C ATOM 468 O HIS A 30 11.634 17.223 7.251 1.00 0.00 O ATOM 469 CB HIS A 30 13.849 17.899 9.632 1.00 0.00 C ATOM 470 CG HIS A 30 15.353 18.109 9.706 1.00 0.00 C ATOM 471 ND1 HIS A 30 15.954 19.244 9.841 1.00 0.00 N ATOM 472 CD2 HIS A 30 16.368 17.182 9.643 1.00 0.00 C ATOM 473 CE1 HIS A 30 17.238 19.054 9.861 1.00 0.00 C ATOM 474 NE2 HIS A 30 17.538 17.783 9.740 1.00 0.00 N ATOM 0 H HIS A 30 13.767 20.301 9.366 1.00 0.00 H new ATOM 0 HA HIS A 30 13.902 18.138 7.468 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.360 18.367 10.486 1.00 0.00 H new ATOM 0 HB3 HIS A 30 13.613 16.836 9.673 1.00 0.00 H new ATOM 0 HD1 HIS A 30 15.491 20.150 9.920 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.227 16.117 9.530 1.00 0.00 H new ATOM 0 HE1 HIS A 30 17.968 19.844 9.964 1.00 0.00 H new ATOM 482 N TYR A 31 10.948 18.765 8.666 1.00 0.00 N ATOM 483 CA TYR A 31 9.499 18.457 8.479 1.00 0.00 C ATOM 484 C TYR A 31 9.257 18.707 7.001 1.00 0.00 C ATOM 485 O TYR A 31 8.591 17.944 6.322 1.00 0.00 O ATOM 486 CB TYR A 31 8.631 19.415 9.318 1.00 0.00 C ATOM 487 CG TYR A 31 7.139 19.046 9.190 1.00 0.00 C ATOM 488 CD1 TYR A 31 6.571 18.027 9.934 1.00 0.00 C ATOM 489 CD2 TYR A 31 6.338 19.737 8.307 1.00 0.00 C ATOM 490 CE1 TYR A 31 5.226 17.712 9.790 1.00 0.00 C ATOM 491 CE2 TYR A 31 5.005 19.421 8.170 1.00 0.00 C ATOM 492 CZ TYR A 31 4.438 18.415 8.904 1.00 0.00 C ATOM 493 OH TYR A 31 3.096 18.160 8.711 1.00 0.00 O ATOM 0 H TYR A 31 11.134 19.527 9.318 1.00 0.00 H new ATOM 0 HA TYR A 31 9.246 17.443 8.789 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.935 19.368 10.364 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.787 20.441 8.986 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.179 17.472 10.633 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.761 20.536 7.716 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.796 16.913 10.375 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.397 19.976 7.472 1.00 0.00 H new ATOM 0 HH TYR A 31 2.739 18.778 8.040 1.00 0.00 H new ATOM 503 N LYS A 32 9.810 19.798 6.540 1.00 0.00 N ATOM 504 CA LYS A 32 9.620 20.093 5.105 1.00 0.00 C ATOM 505 C LYS A 32 10.318 19.034 4.266 1.00 0.00 C ATOM 506 O LYS A 32 9.603 18.413 3.518 1.00 0.00 O ATOM 507 CB LYS A 32 10.165 21.490 4.771 1.00 0.00 C ATOM 508 CG LYS A 32 9.269 22.615 5.290 1.00 0.00 C ATOM 509 CD LYS A 32 7.868 22.392 4.696 1.00 0.00 C ATOM 510 CE LYS A 32 6.964 23.544 4.943 1.00 0.00 C ATOM 511 NZ LYS A 32 5.637 23.065 4.446 1.00 0.00 N ATOM 0 H LYS A 32 10.362 20.468 7.075 1.00 0.00 H new ATOM 0 HA LYS A 32 8.554 20.078 4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.161 21.598 5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.271 21.585 3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.231 22.605 6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.662 23.588 4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.953 22.223 3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.432 21.491 5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.926 23.803 6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.294 24.434 4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.877 23.534 4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.542 23.292 3.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.568 22.036 4.578 1.00 0.00 H new ATOM 525 N GLN A 33 11.606 18.810 4.351 1.00 0.00 N ATOM 526 CA GLN A 33 12.181 17.721 3.464 1.00 0.00 C ATOM 527 C GLN A 33 11.453 16.351 3.662 1.00 0.00 C ATOM 528 O GLN A 33 11.286 15.580 2.735 1.00 0.00 O ATOM 529 CB GLN A 33 13.694 17.624 3.774 1.00 0.00 C ATOM 530 CG GLN A 33 14.511 17.744 2.428 1.00 0.00 C ATOM 531 CD GLN A 33 14.339 16.514 1.518 1.00 0.00 C ATOM 532 OE1 GLN A 33 14.296 15.389 1.975 1.00 0.00 O ATOM 533 NE2 GLN A 33 14.251 16.662 0.236 1.00 0.00 N ATOM 0 H GLN A 33 12.264 19.298 4.958 1.00 0.00 H new ATOM 0 HA GLN A 33 12.028 17.975 2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 33 13.987 18.416 4.463 1.00 0.00 H new ATOM 0 HB3 GLN A 33 13.916 16.676 4.265 1.00 0.00 H new ATOM 0 HG2 GLN A 33 14.190 18.636 1.891 1.00 0.00 H new ATOM 0 HG3 GLN A 33 15.568 17.875 2.660 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.284 17.596 -0.173 1.00 0.00 H new ATOM 0 HE22 GLN A 33 14.148 15.845 -0.366 1.00 0.00 H new ATOM 542 N ALA A 34 11.038 16.071 4.863 1.00 0.00 N ATOM 543 CA ALA A 34 10.321 14.806 5.203 1.00 0.00 C ATOM 544 C ALA A 34 8.930 14.695 4.523 1.00 0.00 C ATOM 545 O ALA A 34 8.618 13.672 3.944 1.00 0.00 O ATOM 546 CB ALA A 34 10.188 14.773 6.733 1.00 0.00 C ATOM 0 H ALA A 34 11.172 16.694 5.660 1.00 0.00 H new ATOM 0 HA ALA A 34 10.889 13.954 4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.668 13.863 7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.180 14.790 7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.622 15.642 7.068 1.00 0.00 H new ATOM 552 N THR A 35 8.145 15.745 4.611 1.00 0.00 N ATOM 553 CA THR A 35 6.751 15.745 3.991 1.00 0.00 C ATOM 554 C THR A 35 6.523 16.506 2.684 1.00 0.00 C ATOM 555 O THR A 35 5.648 16.151 1.920 1.00 0.00 O ATOM 556 CB THR A 35 5.711 16.309 4.981 1.00 0.00 C ATOM 557 OG1 THR A 35 6.109 17.654 5.177 1.00 0.00 O ATOM 558 CG2 THR A 35 5.838 15.729 6.376 1.00 0.00 C ATOM 0 H THR A 35 8.399 16.612 5.085 1.00 0.00 H new ATOM 0 HA THR A 35 6.640 14.687 3.754 1.00 0.00 H new ATOM 0 HB THR A 35 4.715 16.116 4.582 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.937 17.677 5.701 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.078 16.167 7.023 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.700 14.649 6.335 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.827 15.954 6.775 1.00 0.00 H new ATOM 566 N VAL A 36 7.298 17.521 2.455 1.00 0.00 N ATOM 567 CA VAL A 36 7.179 18.357 1.198 1.00 0.00 C ATOM 568 C VAL A 36 8.330 18.019 0.245 1.00 0.00 C ATOM 569 O VAL A 36 8.165 17.930 -0.955 1.00 0.00 O ATOM 570 CB VAL A 36 7.229 19.867 1.569 1.00 0.00 C ATOM 571 CG1 VAL A 36 7.288 20.746 0.295 1.00 0.00 C ATOM 572 CG2 VAL A 36 5.943 20.221 2.305 1.00 0.00 C ATOM 0 H VAL A 36 8.033 17.827 3.093 1.00 0.00 H new ATOM 0 HA VAL A 36 6.231 18.139 0.707 1.00 0.00 H new ATOM 0 HB VAL A 36 8.114 20.047 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.322 21.798 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.181 20.496 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.403 20.564 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.957 21.277 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.088 20.023 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.863 19.617 3.209 1.00 0.00 H new ATOM 582 N GLY A 37 9.482 17.847 0.830 1.00 0.00 N ATOM 583 CA GLY A 37 10.733 17.505 0.070 1.00 0.00 C ATOM 584 C GLY A 37 11.731 18.652 -0.030 1.00 0.00 C ATOM 585 O GLY A 37 11.823 19.527 0.815 1.00 0.00 O ATOM 0 H GLY A 37 9.619 17.931 1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.218 16.656 0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.459 17.187 -0.936 1.00 0.00 H new ATOM 589 N ASP A 38 12.477 18.548 -1.096 1.00 0.00 N ATOM 590 CA ASP A 38 13.532 19.492 -1.508 1.00 0.00 C ATOM 591 C ASP A 38 12.867 20.905 -1.661 1.00 0.00 C ATOM 592 O ASP A 38 12.090 21.092 -2.571 1.00 0.00 O ATOM 593 CB ASP A 38 14.088 18.899 -2.851 1.00 0.00 C ATOM 594 CG ASP A 38 14.509 17.406 -2.864 1.00 0.00 C ATOM 595 OD1 ASP A 38 13.779 16.597 -2.321 1.00 0.00 O ATOM 596 OD2 ASP A 38 15.552 17.167 -3.444 1.00 0.00 O ATOM 0 H ASP A 38 12.376 17.770 -1.748 1.00 0.00 H new ATOM 0 HA ASP A 38 14.354 19.615 -0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.327 19.039 -3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.953 19.493 -3.147 1.00 0.00 H new ATOM 601 N ILE A 39 13.158 21.851 -0.795 1.00 0.00 N ATOM 602 CA ILE A 39 12.562 23.262 -0.857 1.00 0.00 C ATOM 603 C ILE A 39 11.903 23.673 -2.213 1.00 0.00 C ATOM 604 O ILE A 39 12.489 23.580 -3.274 1.00 0.00 O ATOM 605 CB ILE A 39 13.732 24.159 -0.393 1.00 0.00 C ATOM 606 CG1 ILE A 39 13.107 25.476 0.128 1.00 0.00 C ATOM 607 CG2 ILE A 39 14.769 24.380 -1.506 1.00 0.00 C ATOM 608 CD1 ILE A 39 14.120 26.202 0.995 1.00 0.00 C ATOM 0 H ILE A 39 13.803 21.714 -0.017 1.00 0.00 H new ATOM 0 HA ILE A 39 11.684 23.355 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 39 14.297 23.678 0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 39 12.809 26.107 -0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.206 25.262 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 39 15.572 25.016 -1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 39 15.181 23.419 -1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 39 14.290 24.862 -2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.684 27.130 1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 39 14.396 25.570 1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 39 15.008 26.428 0.405 1.00 0.00 H new ATOM 805 N LYS A 52 14.121 33.838 5.956 1.00 0.00 N ATOM 806 CA LYS A 52 15.443 33.327 5.479 1.00 0.00 C ATOM 807 C LYS A 52 15.914 32.214 6.421 1.00 0.00 C ATOM 808 O LYS A 52 16.422 31.235 5.940 1.00 0.00 O ATOM 809 CB LYS A 52 16.502 34.507 5.446 1.00 0.00 C ATOM 810 CG LYS A 52 17.413 34.588 6.720 1.00 0.00 C ATOM 811 CD LYS A 52 18.744 35.373 6.439 1.00 0.00 C ATOM 812 CE LYS A 52 19.642 34.730 5.341 1.00 0.00 C ATOM 813 NZ LYS A 52 19.833 33.260 5.586 1.00 0.00 N ATOM 0 HA LYS A 52 15.342 32.929 4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.135 34.387 4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.972 35.453 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.867 35.077 7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.651 33.580 7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 52 18.496 36.391 6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.315 35.443 7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.188 34.882 4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.612 35.227 5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.242 32.817 4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.475 33.123 6.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.914 32.821 5.797 1.00 0.00 H new ATOM 827 N ALA A 53 15.732 32.359 7.713 1.00 0.00 N ATOM 828 CA ALA A 53 16.198 31.270 8.648 1.00 0.00 C ATOM 829 C ALA A 53 15.458 30.021 8.148 1.00 0.00 C ATOM 830 O ALA A 53 16.062 29.051 7.733 1.00 0.00 O ATOM 831 CB ALA A 53 15.795 31.676 10.059 1.00 0.00 C ATOM 0 H ALA A 53 15.291 33.164 8.159 1.00 0.00 H new ATOM 0 HA ALA A 53 17.273 31.092 8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.117 30.910 10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.268 32.625 10.314 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.712 31.785 10.111 1.00 0.00 H new ATOM 837 N LYS A 54 14.159 30.121 8.200 1.00 0.00 N ATOM 838 CA LYS A 54 13.249 29.036 7.742 1.00 0.00 C ATOM 839 C LYS A 54 13.674 28.475 6.351 1.00 0.00 C ATOM 840 O LYS A 54 13.964 27.299 6.174 1.00 0.00 O ATOM 841 CB LYS A 54 11.863 29.773 7.843 1.00 0.00 C ATOM 842 CG LYS A 54 10.602 29.021 7.363 1.00 0.00 C ATOM 843 CD LYS A 54 10.552 28.996 5.823 1.00 0.00 C ATOM 844 CE LYS A 54 10.176 30.355 5.218 1.00 0.00 C ATOM 845 NZ LYS A 54 10.623 30.320 3.794 1.00 0.00 N ATOM 0 H LYS A 54 13.673 30.944 8.556 1.00 0.00 H new ATOM 0 HA LYS A 54 13.246 28.110 8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.709 30.051 8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.936 30.699 7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.607 28.002 7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.709 29.507 7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.524 28.688 5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.829 28.247 5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.101 30.526 5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.661 31.168 5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.968 31.261 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.389 29.625 3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.824 30.050 3.186 1.00 0.00 H new ATOM 859 N TRP A 55 13.726 29.362 5.393 1.00 0.00 N ATOM 860 CA TRP A 55 14.095 28.978 4.018 1.00 0.00 C ATOM 861 C TRP A 55 15.444 28.322 3.939 1.00 0.00 C ATOM 862 O TRP A 55 15.567 27.183 3.557 1.00 0.00 O ATOM 863 CB TRP A 55 14.071 30.232 3.134 1.00 0.00 C ATOM 864 CG TRP A 55 13.990 29.723 1.701 1.00 0.00 C ATOM 865 CD1 TRP A 55 12.840 29.495 0.990 1.00 0.00 C ATOM 866 CD2 TRP A 55 15.063 29.381 0.954 1.00 0.00 C ATOM 867 NE1 TRP A 55 13.314 29.020 -0.136 1.00 0.00 N ATOM 868 CE2 TRP A 55 14.608 28.919 -0.261 1.00 0.00 C ATOM 869 CE3 TRP A 55 16.434 29.403 1.178 1.00 0.00 C ATOM 870 CZ2 TRP A 55 15.448 28.487 -1.262 1.00 0.00 C ATOM 871 CZ3 TRP A 55 17.304 28.966 0.189 1.00 0.00 C ATOM 872 CH2 TRP A 55 16.825 28.510 -1.028 1.00 0.00 C ATOM 0 H TRP A 55 13.523 30.354 5.518 1.00 0.00 H new ATOM 0 HA TRP A 55 13.370 28.243 3.669 1.00 0.00 H new ATOM 0 HB2 TRP A 55 13.216 30.864 3.374 1.00 0.00 H new ATOM 0 HB3 TRP A 55 14.966 30.835 3.285 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.814 29.663 1.281 1.00 0.00 H new ATOM 0 HE1 TRP A 55 12.690 28.738 -0.892 1.00 0.00 H new ATOM 0 HE3 TRP A 55 16.822 29.760 2.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 15.052 28.139 -2.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 18.368 28.982 0.371 1.00 0.00 H new ATOM 0 HH2 TRP A 55 17.512 28.174 -1.791 1.00 0.00 H new ATOM 883 N ASP A 56 16.414 29.070 4.334 1.00 0.00 N ATOM 884 CA ASP A 56 17.822 28.581 4.312 1.00 0.00 C ATOM 885 C ASP A 56 17.945 27.239 5.053 1.00 0.00 C ATOM 886 O ASP A 56 18.510 26.299 4.534 1.00 0.00 O ATOM 887 CB ASP A 56 18.676 29.665 4.950 1.00 0.00 C ATOM 888 CG ASP A 56 18.806 30.858 4.032 1.00 0.00 C ATOM 889 OD1 ASP A 56 17.863 31.442 3.556 1.00 0.00 O ATOM 890 OD2 ASP A 56 19.934 31.230 3.792 1.00 0.00 O ATOM 0 H ASP A 56 16.300 30.022 4.681 1.00 0.00 H new ATOM 0 HA ASP A 56 18.159 28.394 3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 56 18.231 29.975 5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 56 19.665 29.267 5.179 1.00 0.00 H new ATOM 895 N ALA A 57 17.393 27.192 6.239 1.00 0.00 N ATOM 896 CA ALA A 57 17.407 25.979 7.105 1.00 0.00 C ATOM 897 C ALA A 57 16.798 24.787 6.340 1.00 0.00 C ATOM 898 O ALA A 57 17.256 23.669 6.458 1.00 0.00 O ATOM 899 CB ALA A 57 16.607 26.312 8.367 1.00 0.00 C ATOM 0 H ALA A 57 16.911 27.987 6.659 1.00 0.00 H new ATOM 0 HA ALA A 57 18.423 25.696 7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 57 16.594 25.446 9.029 1.00 0.00 H new ATOM 0 HB2 ALA A 57 17.071 27.154 8.880 1.00 0.00 H new ATOM 0 HB3 ALA A 57 15.585 26.574 8.092 1.00 0.00 H new ATOM 905 N TRP A 58 15.774 25.032 5.559 1.00 0.00 N ATOM 906 CA TRP A 58 15.197 23.877 4.806 1.00 0.00 C ATOM 907 C TRP A 58 16.113 23.662 3.593 1.00 0.00 C ATOM 908 O TRP A 58 16.524 22.545 3.369 1.00 0.00 O ATOM 909 CB TRP A 58 13.829 24.230 4.381 1.00 0.00 C ATOM 910 CG TRP A 58 13.232 23.098 3.536 1.00 0.00 C ATOM 911 CD1 TRP A 58 13.702 21.821 3.281 1.00 0.00 C ATOM 912 CD2 TRP A 58 12.082 23.283 2.897 1.00 0.00 C ATOM 913 NE1 TRP A 58 12.754 21.345 2.481 1.00 0.00 N ATOM 914 CE2 TRP A 58 11.744 22.150 2.197 1.00 0.00 C ATOM 915 CE3 TRP A 58 11.269 24.417 2.891 1.00 0.00 C ATOM 916 CZ2 TRP A 58 10.562 22.140 1.468 1.00 0.00 C ATOM 917 CZ3 TRP A 58 10.091 24.407 2.166 1.00 0.00 C ATOM 918 CH2 TRP A 58 9.742 23.268 1.456 1.00 0.00 C ATOM 0 H TRP A 58 15.330 25.938 5.414 1.00 0.00 H new ATOM 0 HA TRP A 58 15.139 22.968 5.405 1.00 0.00 H new ATOM 0 HB2 TRP A 58 13.203 24.411 5.255 1.00 0.00 H new ATOM 0 HB3 TRP A 58 13.846 25.155 3.804 1.00 0.00 H new ATOM 0 HD1 TRP A 58 14.601 21.340 3.638 1.00 0.00 H new ATOM 0 HE1 TRP A 58 12.803 20.399 2.102 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.557 25.296 3.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 10.278 21.259 0.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 9.450 25.276 2.153 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.824 23.254 0.887 1.00 0.00 H new ATOM 929 N ASN A 59 16.416 24.688 2.847 1.00 0.00 N ATOM 930 CA ASN A 59 17.310 24.589 1.655 1.00 0.00 C ATOM 931 C ASN A 59 18.544 23.725 2.009 1.00 0.00 C ATOM 932 O ASN A 59 18.941 22.894 1.223 1.00 0.00 O ATOM 933 CB ASN A 59 17.700 26.014 1.285 1.00 0.00 C ATOM 934 CG ASN A 59 19.074 26.013 0.639 1.00 0.00 C ATOM 935 OD1 ASN A 59 19.285 25.583 -0.479 1.00 0.00 O ATOM 936 ND2 ASN A 59 20.040 26.481 1.356 1.00 0.00 N ATOM 0 H ASN A 59 16.066 25.630 3.022 1.00 0.00 H new ATOM 0 HA ASN A 59 16.819 24.110 0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 59 16.965 26.437 0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.706 26.643 2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 59 20.990 26.492 0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 59 19.853 26.839 2.292 1.00 0.00 H new ATOM 943 N GLU A 60 19.087 23.980 3.165 1.00 0.00 N ATOM 944 CA GLU A 60 20.272 23.254 3.705 1.00 0.00 C ATOM 945 C GLU A 60 20.125 21.709 3.511 1.00 0.00 C ATOM 946 O GLU A 60 21.067 20.971 3.298 1.00 0.00 O ATOM 947 CB GLU A 60 20.366 23.675 5.184 1.00 0.00 C ATOM 948 CG GLU A 60 21.533 22.926 5.865 1.00 0.00 C ATOM 949 CD GLU A 60 21.778 23.429 7.284 1.00 0.00 C ATOM 950 OE1 GLU A 60 20.858 23.355 8.079 1.00 0.00 O ATOM 951 OE2 GLU A 60 22.896 23.861 7.482 1.00 0.00 O ATOM 0 H GLU A 60 18.736 24.704 3.792 1.00 0.00 H new ATOM 0 HA GLU A 60 21.192 23.507 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 60 20.520 24.752 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.430 23.452 5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 60 21.314 21.859 5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 60 22.440 23.051 5.273 1.00 0.00 H new ATOM 958 N LEU A 61 18.891 21.293 3.589 1.00 0.00 N ATOM 959 CA LEU A 61 18.469 19.867 3.449 1.00 0.00 C ATOM 960 C LEU A 61 17.960 19.540 2.046 1.00 0.00 C ATOM 961 O LEU A 61 17.824 18.380 1.706 1.00 0.00 O ATOM 962 CB LEU A 61 17.320 19.544 4.434 1.00 0.00 C ATOM 963 CG LEU A 61 17.588 20.063 5.851 1.00 0.00 C ATOM 964 CD1 LEU A 61 16.346 19.717 6.666 1.00 0.00 C ATOM 965 CD2 LEU A 61 18.781 19.325 6.469 1.00 0.00 C ATOM 0 H LEU A 61 18.109 21.926 3.755 1.00 0.00 H new ATOM 0 HA LEU A 61 19.357 19.271 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.394 19.982 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 61 17.171 18.465 4.470 1.00 0.00 H new ATOM 0 HG LEU A 61 17.803 21.131 5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.476 20.063 7.691 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.475 20.203 6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.198 18.637 6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.961 19.703 7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.564 18.258 6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 61 19.667 19.489 5.856 1.00 0.00 H new ATOM 977 N LYS A 62 17.706 20.544 1.257 1.00 0.00 N ATOM 978 CA LYS A 62 17.180 20.378 -0.120 1.00 0.00 C ATOM 979 C LYS A 62 17.313 19.117 -0.880 1.00 0.00 C ATOM 980 O LYS A 62 16.329 18.764 -1.455 1.00 0.00 O ATOM 981 CB LYS A 62 17.717 21.557 -1.005 1.00 0.00 C ATOM 982 CG LYS A 62 16.989 21.669 -2.415 1.00 0.00 C ATOM 983 CD LYS A 62 17.355 20.606 -3.515 1.00 0.00 C ATOM 984 CE LYS A 62 18.831 20.371 -3.677 1.00 0.00 C ATOM 985 NZ LYS A 62 19.491 21.665 -4.043 1.00 0.00 N ATOM 0 H LYS A 62 17.850 21.517 1.527 1.00 0.00 H new ATOM 0 HA LYS A 62 16.109 20.364 0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.591 22.495 -0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 62 18.787 21.423 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.914 21.616 -2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.198 22.658 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.873 19.661 -3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.943 20.931 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.254 19.980 -2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.011 19.624 -4.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.486 21.490 -4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.001 22.086 -4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.444 22.319 -3.236 1.00 0.00 H new ATOM 999 N GLY A 63 18.397 18.423 -0.896 1.00 0.00 N ATOM 1000 CA GLY A 63 18.462 17.149 -1.717 1.00 0.00 C ATOM 1001 C GLY A 63 18.408 15.877 -0.878 1.00 0.00 C ATOM 1002 O GLY A 63 18.733 14.800 -1.332 1.00 0.00 O ATOM 0 H GLY A 63 19.250 18.659 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.634 17.141 -2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.382 17.150 -2.301 1.00 0.00 H new ATOM 1006 N THR A 64 18.010 16.069 0.343 1.00 0.00 N ATOM 1007 CA THR A 64 17.889 14.921 1.279 1.00 0.00 C ATOM 1008 C THR A 64 16.866 13.933 0.734 1.00 0.00 C ATOM 1009 O THR A 64 16.115 14.161 -0.198 1.00 0.00 O ATOM 1010 CB THR A 64 17.447 15.441 2.666 1.00 0.00 C ATOM 1011 OG1 THR A 64 18.571 16.143 3.140 1.00 0.00 O ATOM 1012 CG2 THR A 64 17.331 14.409 3.753 1.00 0.00 C ATOM 0 H THR A 64 17.761 16.976 0.737 1.00 0.00 H new ATOM 0 HA THR A 64 18.850 14.416 1.378 1.00 0.00 H new ATOM 0 HB THR A 64 16.490 15.939 2.512 1.00 0.00 H new ATOM 0 HG1 THR A 64 18.565 17.053 2.777 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.015 14.890 4.679 1.00 0.00 H new ATOM 0 HG22 THR A 64 16.596 13.658 3.465 1.00 0.00 H new ATOM 0 HG23 THR A 64 18.298 13.930 3.905 1.00 0.00 H new ATOM 1020 N SER A 65 16.892 12.813 1.379 1.00 0.00 N ATOM 1021 CA SER A 65 15.988 11.683 1.058 1.00 0.00 C ATOM 1022 C SER A 65 14.942 11.906 2.163 1.00 0.00 C ATOM 1023 O SER A 65 15.294 11.753 3.317 1.00 0.00 O ATOM 1024 CB SER A 65 16.784 10.355 1.215 1.00 0.00 C ATOM 1025 OG SER A 65 17.807 10.500 0.226 1.00 0.00 O ATOM 0 H SER A 65 17.531 12.624 2.151 1.00 0.00 H new ATOM 0 HA SER A 65 15.561 11.631 0.056 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.199 10.244 2.217 1.00 0.00 H new ATOM 0 HB3 SER A 65 16.159 9.481 1.030 1.00 0.00 H new ATOM 0 HG SER A 65 18.384 9.708 0.233 1.00 0.00 H new ATOM 1031 N LYS A 66 13.720 12.273 1.853 1.00 0.00 N ATOM 1032 CA LYS A 66 12.667 12.500 2.926 1.00 0.00 C ATOM 1033 C LYS A 66 12.824 11.609 4.173 1.00 0.00 C ATOM 1034 O LYS A 66 12.646 12.017 5.304 1.00 0.00 O ATOM 1035 CB LYS A 66 11.237 12.274 2.335 1.00 0.00 C ATOM 1036 CG LYS A 66 11.007 10.843 1.769 1.00 0.00 C ATOM 1037 CD LYS A 66 9.501 10.685 1.391 1.00 0.00 C ATOM 1038 CE LYS A 66 9.122 11.425 0.107 1.00 0.00 C ATOM 1039 NZ LYS A 66 9.711 10.674 -1.050 1.00 0.00 N ATOM 0 H LYS A 66 13.394 12.429 0.899 1.00 0.00 H new ATOM 0 HA LYS A 66 12.809 13.531 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.498 12.470 3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.064 13.000 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.635 10.679 0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.290 10.095 2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.272 9.626 1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.886 11.055 2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.038 11.488 0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.500 12.447 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.293 11.020 -1.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.740 10.821 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.508 9.659 -0.945 1.00 0.00 H new ATOM 1053 N GLU A 67 13.156 10.385 3.891 1.00 0.00 N ATOM 1054 CA GLU A 67 13.366 9.355 4.922 1.00 0.00 C ATOM 1055 C GLU A 67 14.293 9.863 6.050 1.00 0.00 C ATOM 1056 O GLU A 67 13.965 9.793 7.221 1.00 0.00 O ATOM 1057 CB GLU A 67 13.909 8.136 4.110 1.00 0.00 C ATOM 1058 CG GLU A 67 12.863 7.660 3.001 1.00 0.00 C ATOM 1059 CD GLU A 67 13.210 6.316 2.293 1.00 0.00 C ATOM 1060 OE1 GLU A 67 14.276 5.786 2.563 1.00 0.00 O ATOM 1061 OE2 GLU A 67 12.353 5.924 1.508 1.00 0.00 O ATOM 0 H GLU A 67 13.295 10.048 2.938 1.00 0.00 H new ATOM 0 HA GLU A 67 12.466 9.078 5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.850 8.406 3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.122 7.311 4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.883 7.564 3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.781 8.440 2.244 1.00 0.00 H new ATOM 1068 N ASP A 68 15.441 10.379 5.716 1.00 0.00 N ATOM 1069 CA ASP A 68 16.329 10.870 6.778 1.00 0.00 C ATOM 1070 C ASP A 68 15.670 12.006 7.496 1.00 0.00 C ATOM 1071 O ASP A 68 15.722 12.055 8.705 1.00 0.00 O ATOM 1072 CB ASP A 68 17.618 11.211 6.081 1.00 0.00 C ATOM 1073 CG ASP A 68 18.330 9.880 6.041 1.00 0.00 C ATOM 1074 OD1 ASP A 68 18.894 9.608 7.093 1.00 0.00 O ATOM 1075 OD2 ASP A 68 18.240 9.239 5.010 1.00 0.00 O ATOM 0 H ASP A 68 15.791 10.477 4.763 1.00 0.00 H new ATOM 0 HA ASP A 68 16.538 10.145 7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.446 11.609 5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 68 18.189 11.961 6.628 1.00 0.00 H new ATOM 1080 N ALA A 69 15.077 12.880 6.740 1.00 0.00 N ATOM 1081 CA ALA A 69 14.368 14.044 7.368 1.00 0.00 C ATOM 1082 C ALA A 69 13.390 13.443 8.418 1.00 0.00 C ATOM 1083 O ALA A 69 13.370 13.870 9.555 1.00 0.00 O ATOM 1084 CB ALA A 69 13.642 14.793 6.250 1.00 0.00 C ATOM 0 H ALA A 69 15.047 12.848 5.721 1.00 0.00 H new ATOM 0 HA ALA A 69 15.031 14.751 7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.113 15.649 6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.367 15.140 5.514 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.927 14.125 5.769 1.00 0.00 H new ATOM 1090 N MET A 70 12.620 12.473 7.992 1.00 0.00 N ATOM 1091 CA MET A 70 11.645 11.772 8.845 1.00 0.00 C ATOM 1092 C MET A 70 12.347 11.251 10.106 1.00 0.00 C ATOM 1093 O MET A 70 12.014 11.628 11.206 1.00 0.00 O ATOM 1094 CB MET A 70 11.089 10.671 7.971 1.00 0.00 C ATOM 1095 CG MET A 70 10.067 11.287 7.002 1.00 0.00 C ATOM 1096 SD MET A 70 9.100 10.189 5.939 1.00 0.00 S ATOM 1097 CE MET A 70 7.590 11.189 5.905 1.00 0.00 C ATOM 0 H MET A 70 12.640 12.130 7.032 1.00 0.00 H new ATOM 0 HA MET A 70 10.837 12.408 9.206 1.00 0.00 H new ATOM 0 HB2 MET A 70 11.892 10.186 7.416 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.616 9.904 8.584 1.00 0.00 H new ATOM 0 HG2 MET A 70 9.365 11.876 7.593 1.00 0.00 H new ATOM 0 HG3 MET A 70 10.603 11.983 6.357 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.027 10.967 4.998 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.979 10.956 6.777 1.00 0.00 H new ATOM 0 HE3 MET A 70 7.854 12.247 5.919 1.00 0.00 H new ATOM 1107 N LYS A 71 13.317 10.412 9.886 1.00 0.00 N ATOM 1108 CA LYS A 71 14.100 9.810 11.001 1.00 0.00 C ATOM 1109 C LYS A 71 14.634 10.903 11.940 1.00 0.00 C ATOM 1110 O LYS A 71 14.267 10.994 13.092 1.00 0.00 O ATOM 1111 CB LYS A 71 15.315 9.034 10.476 1.00 0.00 C ATOM 1112 CG LYS A 71 14.913 7.815 9.658 1.00 0.00 C ATOM 1113 CD LYS A 71 16.165 6.931 9.412 1.00 0.00 C ATOM 1114 CE LYS A 71 17.195 7.610 8.499 1.00 0.00 C ATOM 1115 NZ LYS A 71 17.985 8.641 9.260 1.00 0.00 N ATOM 0 H LYS A 71 13.608 10.110 8.956 1.00 0.00 H new ATOM 0 HA LYS A 71 13.424 9.138 11.530 1.00 0.00 H new ATOM 0 HB2 LYS A 71 15.928 9.695 9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 71 15.932 8.717 11.317 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.148 7.245 10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.480 8.126 8.707 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.632 6.694 10.368 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.856 5.986 8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.870 6.861 8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.687 8.082 7.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.161 9.464 8.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.448 8.940 10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.893 8.232 9.559 1.00 0.00 H new ATOM 1129 N ALA A 72 15.491 11.727 11.387 1.00 0.00 N ATOM 1130 CA ALA A 72 16.121 12.841 12.133 1.00 0.00 C ATOM 1131 C ALA A 72 15.046 13.548 12.918 1.00 0.00 C ATOM 1132 O ALA A 72 15.160 13.690 14.111 1.00 0.00 O ATOM 1133 CB ALA A 72 16.788 13.765 11.098 1.00 0.00 C ATOM 0 H ALA A 72 15.784 11.663 10.412 1.00 0.00 H new ATOM 0 HA ALA A 72 16.879 12.500 12.838 1.00 0.00 H new ATOM 0 HB1 ALA A 72 17.265 14.601 11.610 1.00 0.00 H new ATOM 0 HB2 ALA A 72 17.539 13.205 10.541 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.033 14.145 10.409 1.00 0.00 H new ATOM 1139 N TYR A 73 14.020 13.950 12.224 1.00 0.00 N ATOM 1140 CA TYR A 73 12.880 14.663 12.863 1.00 0.00 C ATOM 1141 C TYR A 73 12.388 13.853 14.074 1.00 0.00 C ATOM 1142 O TYR A 73 12.360 14.375 15.159 1.00 0.00 O ATOM 1143 CB TYR A 73 11.822 14.805 11.782 1.00 0.00 C ATOM 1144 CG TYR A 73 10.647 15.662 12.201 1.00 0.00 C ATOM 1145 CD1 TYR A 73 9.539 15.134 12.830 1.00 0.00 C ATOM 1146 CD2 TYR A 73 10.698 17.003 11.933 1.00 0.00 C ATOM 1147 CE1 TYR A 73 8.497 15.964 13.182 1.00 0.00 C ATOM 1148 CE2 TYR A 73 9.664 17.821 12.282 1.00 0.00 C ATOM 1149 CZ TYR A 73 8.556 17.310 12.912 1.00 0.00 C ATOM 1150 OH TYR A 73 7.521 18.136 13.285 1.00 0.00 O ATOM 0 H TYR A 73 13.921 13.811 11.218 1.00 0.00 H new ATOM 0 HA TYR A 73 13.150 15.648 13.244 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.278 15.237 10.892 1.00 0.00 H new ATOM 0 HB3 TYR A 73 11.460 13.815 11.506 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.488 14.077 13.045 1.00 0.00 H new ATOM 0 HD2 TYR A 73 11.565 17.417 11.440 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.627 15.554 13.674 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.717 18.877 12.062 1.00 0.00 H new ATOM 0 HH TYR A 73 6.971 18.346 12.501 1.00 0.00 H new ATOM 1160 N ILE A 74 12.040 12.620 13.831 1.00 0.00 N ATOM 1161 CA ILE A 74 11.532 11.696 14.911 1.00 0.00 C ATOM 1162 C ILE A 74 12.502 11.720 16.109 1.00 0.00 C ATOM 1163 O ILE A 74 12.109 12.032 17.220 1.00 0.00 O ATOM 1164 CB ILE A 74 11.388 10.289 14.262 1.00 0.00 C ATOM 1165 CG1 ILE A 74 10.193 10.340 13.265 1.00 0.00 C ATOM 1166 CG2 ILE A 74 11.110 9.219 15.339 1.00 0.00 C ATOM 1167 CD1 ILE A 74 10.168 9.057 12.419 1.00 0.00 C ATOM 0 H ILE A 74 12.084 12.193 12.906 1.00 0.00 H new ATOM 0 HA ILE A 74 10.563 12.003 15.305 1.00 0.00 H new ATOM 0 HB ILE A 74 12.313 10.025 13.749 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.256 10.445 13.811 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.284 11.212 12.618 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.013 8.242 14.865 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.935 9.196 16.051 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.186 9.462 15.863 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.330 9.097 11.723 1.00 0.00 H new ATOM 0 HD12 ILE A 74 11.100 8.971 11.861 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.056 8.192 13.073 1.00 0.00 H new ATOM 1179 N ASP A 75 13.743 11.412 15.840 1.00 0.00 N ATOM 1180 CA ASP A 75 14.788 11.399 16.885 1.00 0.00 C ATOM 1181 C ASP A 75 14.825 12.774 17.611 1.00 0.00 C ATOM 1182 O ASP A 75 14.624 12.904 18.797 1.00 0.00 O ATOM 1183 CB ASP A 75 16.080 11.081 16.138 1.00 0.00 C ATOM 1184 CG ASP A 75 16.158 9.630 15.684 1.00 0.00 C ATOM 1185 OD1 ASP A 75 16.373 8.794 16.539 1.00 0.00 O ATOM 1186 OD2 ASP A 75 16.004 9.431 14.493 1.00 0.00 O ATOM 0 H ASP A 75 14.077 11.163 14.909 1.00 0.00 H new ATOM 0 HA ASP A 75 14.612 10.663 17.670 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.162 11.734 15.269 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.931 11.301 16.783 1.00 0.00 H new ATOM 1191 N LYS A 76 15.062 13.806 16.851 1.00 0.00 N ATOM 1192 CA LYS A 76 15.142 15.202 17.395 1.00 0.00 C ATOM 1193 C LYS A 76 13.885 15.541 18.230 1.00 0.00 C ATOM 1194 O LYS A 76 13.999 16.021 19.337 1.00 0.00 O ATOM 1195 CB LYS A 76 15.307 16.149 16.183 1.00 0.00 C ATOM 1196 CG LYS A 76 16.652 16.941 16.279 1.00 0.00 C ATOM 1197 CD LYS A 76 16.624 17.992 17.425 1.00 0.00 C ATOM 1198 CE LYS A 76 17.931 18.820 17.446 1.00 0.00 C ATOM 1199 NZ LYS A 76 18.003 19.723 16.234 1.00 0.00 N ATOM 0 H LYS A 76 15.209 13.743 15.844 1.00 0.00 H new ATOM 0 HA LYS A 76 15.989 15.313 18.072 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.284 15.572 15.259 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.470 16.847 16.144 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.473 16.244 16.446 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.847 17.442 15.331 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.770 18.656 17.294 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.492 17.488 18.383 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.975 19.418 18.356 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.792 18.152 17.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.894 20.260 16.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.965 19.147 15.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.200 20.384 16.245 1.00 0.00 H new ATOM 1213 N VAL A 77 12.720 15.287 17.693 1.00 0.00 N ATOM 1214 CA VAL A 77 11.450 15.578 18.427 1.00 0.00 C ATOM 1215 C VAL A 77 11.435 14.738 19.708 1.00 0.00 C ATOM 1216 O VAL A 77 11.073 15.236 20.763 1.00 0.00 O ATOM 1217 CB VAL A 77 10.242 15.216 17.539 1.00 0.00 C ATOM 1218 CG1 VAL A 77 8.973 15.290 18.402 1.00 0.00 C ATOM 1219 CG2 VAL A 77 10.063 16.264 16.406 1.00 0.00 C ATOM 0 H VAL A 77 12.592 14.885 16.764 1.00 0.00 H new ATOM 0 HA VAL A 77 11.389 16.637 18.677 1.00 0.00 H new ATOM 0 HB VAL A 77 10.406 14.225 17.116 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.104 15.037 17.794 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.054 14.585 19.229 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.859 16.300 18.796 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.206 15.991 15.790 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.897 17.248 16.844 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.961 16.289 15.788 1.00 0.00 H new ATOM 1229 N GLU A 78 11.814 13.491 19.589 1.00 0.00 N ATOM 1230 CA GLU A 78 11.833 12.644 20.796 1.00 0.00 C ATOM 1231 C GLU A 78 12.827 13.267 21.789 1.00 0.00 C ATOM 1232 O GLU A 78 12.511 13.321 22.970 1.00 0.00 O ATOM 1233 CB GLU A 78 12.271 11.235 20.441 1.00 0.00 C ATOM 1234 CG GLU A 78 12.139 10.480 21.781 1.00 0.00 C ATOM 1235 CD GLU A 78 12.261 8.964 21.656 1.00 0.00 C ATOM 1236 OE1 GLU A 78 11.663 8.433 20.745 1.00 0.00 O ATOM 1237 OE2 GLU A 78 12.938 8.444 22.526 1.00 0.00 O ATOM 0 H GLU A 78 12.104 13.039 18.722 1.00 0.00 H new ATOM 0 HA GLU A 78 10.837 12.589 21.235 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.638 10.799 19.668 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.294 11.213 20.065 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.906 10.840 22.466 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.174 10.721 22.228 1.00 0.00 H new ATOM 1244 N GLU A 79 13.968 13.724 21.320 1.00 0.00 N ATOM 1245 CA GLU A 79 14.956 14.340 22.251 1.00 0.00 C ATOM 1246 C GLU A 79 14.158 15.505 22.885 1.00 0.00 C ATOM 1247 O GLU A 79 14.008 15.527 24.087 1.00 0.00 O ATOM 1248 CB GLU A 79 16.195 14.816 21.412 1.00 0.00 C ATOM 1249 CG GLU A 79 17.050 13.604 20.832 1.00 0.00 C ATOM 1250 CD GLU A 79 18.325 14.066 20.066 1.00 0.00 C ATOM 1251 OE1 GLU A 79 18.336 15.184 19.564 1.00 0.00 O ATOM 1252 OE2 GLU A 79 19.238 13.255 20.026 1.00 0.00 O ATOM 0 H GLU A 79 14.251 13.695 20.340 1.00 0.00 H new ATOM 0 HA GLU A 79 15.356 13.680 23.021 1.00 0.00 H new ATOM 0 HB2 GLU A 79 15.851 15.440 20.587 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.834 15.439 22.038 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.344 12.949 21.652 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.425 13.014 20.162 1.00 0.00 H new ATOM 1259 N LEU A 80 13.663 16.421 22.082 1.00 0.00 N ATOM 1260 CA LEU A 80 12.862 17.579 22.614 1.00 0.00 C ATOM 1261 C LEU A 80 11.952 17.161 23.722 1.00 0.00 C ATOM 1262 O LEU A 80 11.993 17.708 24.795 1.00 0.00 O ATOM 1263 CB LEU A 80 11.976 18.214 21.512 1.00 0.00 C ATOM 1264 CG LEU A 80 12.749 18.847 20.381 1.00 0.00 C ATOM 1265 CD1 LEU A 80 11.720 19.485 19.446 1.00 0.00 C ATOM 1266 CD2 LEU A 80 13.601 19.953 20.930 1.00 0.00 C ATOM 0 H LEU A 80 13.780 16.417 21.069 1.00 0.00 H new ATOM 0 HA LEU A 80 13.594 18.300 22.978 1.00 0.00 H new ATOM 0 HB2 LEU A 80 11.320 17.446 21.103 1.00 0.00 H new ATOM 0 HB3 LEU A 80 11.337 18.970 21.967 1.00 0.00 H new ATOM 0 HG LEU A 80 13.369 18.108 19.874 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.233 19.958 18.609 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.044 18.717 19.070 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.149 20.236 19.992 1.00 0.00 H new ATOM 0 HD21 LEU A 80 14.163 20.416 20.119 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.965 20.701 21.404 1.00 0.00 H new ATOM 0 HD23 LEU A 80 14.294 19.547 21.666 1.00 0.00 H new ATOM 1278 N LYS A 81 11.135 16.201 23.452 1.00 0.00 N ATOM 1279 CA LYS A 81 10.184 15.705 24.488 1.00 0.00 C ATOM 1280 C LYS A 81 10.958 15.299 25.741 1.00 0.00 C ATOM 1281 O LYS A 81 10.544 15.634 26.827 1.00 0.00 O ATOM 1282 CB LYS A 81 9.421 14.571 23.810 1.00 0.00 C ATOM 1283 CG LYS A 81 8.535 13.789 24.792 1.00 0.00 C ATOM 1284 CD LYS A 81 7.385 13.104 24.001 1.00 0.00 C ATOM 1285 CE LYS A 81 7.888 12.099 22.939 1.00 0.00 C ATOM 1286 NZ LYS A 81 6.661 11.591 22.275 1.00 0.00 N ATOM 0 H LYS A 81 11.077 15.727 22.551 1.00 0.00 H new ATOM 0 HA LYS A 81 9.473 16.452 24.840 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.801 14.980 23.013 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.131 13.888 23.343 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.127 13.041 25.319 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.125 14.461 25.546 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.730 12.585 24.701 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.784 13.870 23.511 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.553 12.582 22.223 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.452 11.288 23.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.608 10.558 22.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.824 12.029 22.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.690 11.829 21.263 1.00 0.00 H new ATOM 1300 N LYS A 82 12.047 14.598 25.584 1.00 0.00 N ATOM 1301 CA LYS A 82 12.838 14.197 26.784 1.00 0.00 C ATOM 1302 C LYS A 82 13.286 15.479 27.512 1.00 0.00 C ATOM 1303 O LYS A 82 13.058 15.670 28.687 1.00 0.00 O ATOM 1304 CB LYS A 82 14.067 13.381 26.327 1.00 0.00 C ATOM 1305 CG LYS A 82 13.721 11.925 26.440 1.00 0.00 C ATOM 1306 CD LYS A 82 12.856 11.417 25.287 1.00 0.00 C ATOM 1307 CE LYS A 82 12.305 10.051 25.708 1.00 0.00 C ATOM 1308 NZ LYS A 82 11.725 9.401 24.509 1.00 0.00 N ATOM 0 H LYS A 82 12.421 14.288 24.687 1.00 0.00 H new ATOM 0 HA LYS A 82 12.241 13.583 27.458 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.331 13.632 25.300 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.933 13.617 26.945 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.641 11.342 26.479 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.197 11.755 27.380 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.043 12.113 25.079 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.444 11.331 24.373 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.098 9.434 26.130 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.547 10.168 26.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.168 8.572 24.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.109 10.076 24.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.491 9.099 23.873 1.00 0.00 H new ATOM 1322 N LYS A 83 13.926 16.304 26.736 1.00 0.00 N ATOM 1323 CA LYS A 83 14.487 17.636 27.138 1.00 0.00 C ATOM 1324 C LYS A 83 13.539 18.534 27.930 1.00 0.00 C ATOM 1325 O LYS A 83 13.829 18.973 29.026 1.00 0.00 O ATOM 1326 CB LYS A 83 14.911 18.308 25.837 1.00 0.00 C ATOM 1327 CG LYS A 83 15.676 19.626 26.027 1.00 0.00 C ATOM 1328 CD LYS A 83 15.886 20.164 24.589 1.00 0.00 C ATOM 1329 CE LYS A 83 16.584 21.522 24.565 1.00 0.00 C ATOM 1330 NZ LYS A 83 16.611 21.943 23.134 1.00 0.00 N ATOM 0 H LYS A 83 14.098 16.091 25.753 1.00 0.00 H new ATOM 0 HA LYS A 83 15.312 17.474 27.832 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.536 17.617 25.272 1.00 0.00 H new ATOM 0 HB3 LYS A 83 14.023 18.500 25.235 1.00 0.00 H new ATOM 0 HG2 LYS A 83 15.108 20.330 26.635 1.00 0.00 H new ATOM 0 HG3 LYS A 83 16.628 19.463 26.533 1.00 0.00 H new ATOM 0 HD2 LYS A 83 16.476 19.446 24.019 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.920 20.248 24.092 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.047 22.248 25.176 1.00 0.00 H new ATOM 0 HE3 LYS A 83 17.593 21.449 24.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 17.526 22.388 22.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.480 21.110 22.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.845 22.625 22.958 1.00 0.00 H new ATOM 1344 N TYR A 84 12.433 18.760 27.289 1.00 0.00 N ATOM 1345 CA TYR A 84 11.370 19.611 27.873 1.00 0.00 C ATOM 1346 C TYR A 84 10.657 18.736 28.855 1.00 0.00 C ATOM 1347 O TYR A 84 10.707 19.010 30.037 1.00 0.00 O ATOM 1348 CB TYR A 84 10.435 20.078 26.744 1.00 0.00 C ATOM 1349 CG TYR A 84 11.164 21.063 25.824 1.00 0.00 C ATOM 1350 CD1 TYR A 84 11.779 22.182 26.360 1.00 0.00 C ATOM 1351 CD2 TYR A 84 11.203 20.869 24.454 1.00 0.00 C ATOM 1352 CE1 TYR A 84 12.419 23.085 25.541 1.00 0.00 C ATOM 1353 CE2 TYR A 84 11.842 21.780 23.651 1.00 0.00 C ATOM 1354 CZ TYR A 84 12.446 22.880 24.189 1.00 0.00 C ATOM 1355 OH TYR A 84 13.080 23.791 23.387 1.00 0.00 O ATOM 0 H TYR A 84 12.217 18.383 26.366 1.00 0.00 H new ATOM 0 HA TYR A 84 11.753 20.505 28.366 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.091 19.219 26.168 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.550 20.553 27.168 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.756 22.347 27.427 1.00 0.00 H new ATOM 0 HD2 TYR A 84 10.731 20.001 24.017 1.00 0.00 H new ATOM 0 HE1 TYR A 84 12.899 23.954 25.966 1.00 0.00 H new ATOM 0 HE2 TYR A 84 11.867 21.625 22.582 1.00 0.00 H new ATOM 0 HH TYR A 84 13.679 23.322 22.769 1.00 0.00 H new