USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 785 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 11 LYS NZ :NH3+ -148:sc= 0.34 (180deg=0) USER MOD Set 1.2: A 51 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 79 TYR OH : rot 30:sc= 0.321 USER MOD Single : A 16 GLN : amide:sc= -0.561 K(o=-0.56,f=-3.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.295 X(o=-0.29,f=-0.67) USER MOD Single : A 23 SER OG : rot 80:sc= -1.1 USER MOD Single : A 24 MET CE :methyl -113:sc= -0.107 (180deg=-3.23!) USER MOD Single : A 29 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.71) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -171:sc= -1.96! USER MOD Single : A 42 HIS : no HD1:sc= -0.0385 X(o=-0.038,f=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.407 F(o=-1,f=-0.41) USER MOD Single : A 48 TYR OH : rot -55:sc= 1.36 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= -0.378 (180deg=-1.5!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.185 USER MOD Single : A 66 GLN : amide:sc= -1.65 K(o=-1.7,f=-2.3!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 110:sc= 1.65 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.29) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -155:sc= -0.0578 (180deg=-0.338) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -13.501 12.042 -3.492 1.00 0.00 N ATOM 2 CA ALA A 8 -12.457 11.115 -3.911 1.00 0.00 C ATOM 3 C ALA A 8 -11.112 11.491 -3.300 1.00 0.00 C ATOM 4 O ALA A 8 -11.033 12.370 -2.441 1.00 0.00 O ATOM 5 CB ALA A 8 -12.359 11.086 -5.429 1.00 0.00 C ATOM 0 HA ALA A 8 -12.723 10.120 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.576 10.390 -5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.312 10.764 -5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.119 12.083 -5.797 1.00 0.00 H new ATOM 11 N ASP A 9 -10.057 10.818 -3.745 1.00 0.00 N ATOM 12 CA ASP A 9 -8.714 11.081 -3.241 1.00 0.00 C ATOM 13 C ASP A 9 -8.632 10.807 -1.741 1.00 0.00 C ATOM 14 O ASP A 9 -8.480 11.727 -0.938 1.00 0.00 O ATOM 15 CB ASP A 9 -8.311 12.529 -3.533 1.00 0.00 C ATOM 16 CG ASP A 9 -7.522 12.662 -4.820 1.00 0.00 C ATOM 17 OD1 ASP A 9 -8.024 12.216 -5.873 1.00 0.00 O ATOM 18 OD2 ASP A 9 -6.401 13.212 -4.776 1.00 0.00 O ATOM 0 H ASP A 9 -10.106 10.086 -4.454 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.023 10.410 -3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -9.207 13.147 -3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.716 12.912 -2.704 1.00 0.00 H new ATOM 23 N ARG A 10 -8.733 9.534 -1.372 1.00 0.00 N ATOM 24 CA ARG A 10 -8.669 9.136 0.029 1.00 0.00 C ATOM 25 C ARG A 10 -8.201 7.690 0.160 1.00 0.00 C ATOM 26 O ARG A 10 -8.145 6.955 -0.826 1.00 0.00 O ATOM 27 CB ARG A 10 -10.037 9.305 0.693 1.00 0.00 C ATOM 28 CG ARG A 10 -11.149 8.531 0.002 1.00 0.00 C ATOM 29 CD ARG A 10 -12.013 9.438 -0.860 1.00 0.00 C ATOM 30 NE ARG A 10 -13.420 9.382 -0.474 1.00 0.00 N ATOM 31 CZ ARG A 10 -13.932 10.038 0.565 1.00 0.00 C ATOM 32 NH1 ARG A 10 -13.155 10.800 1.325 1.00 0.00 N ATOM 33 NH2 ARG A 10 -15.223 9.933 0.844 1.00 0.00 N ATOM 0 H ARG A 10 -8.860 8.760 -2.024 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.948 9.780 0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.970 8.980 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.297 10.364 0.707 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.715 7.745 -0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.771 8.040 0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.655 10.464 -0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.912 9.148 -1.906 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.048 8.806 -1.034 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.161 10.885 1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.552 11.301 2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.825 9.349 0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.615 10.436 1.640 1.00 0.00 H new ATOM 47 N LYS A 11 -7.862 7.288 1.381 1.00 0.00 N ATOM 48 CA LYS A 11 -7.397 5.930 1.634 1.00 0.00 C ATOM 49 C LYS A 11 -7.609 5.539 3.092 1.00 0.00 C ATOM 50 O LYS A 11 -7.381 6.339 3.997 1.00 0.00 O ATOM 51 CB LYS A 11 -5.915 5.807 1.274 1.00 0.00 C ATOM 52 CG LYS A 11 -5.041 6.864 1.931 1.00 0.00 C ATOM 53 CD LYS A 11 -3.572 6.475 1.893 1.00 0.00 C ATOM 54 CE LYS A 11 -2.770 7.234 2.938 1.00 0.00 C ATOM 55 NZ LYS A 11 -1.338 7.364 2.553 1.00 0.00 N ATOM 0 H LYS A 11 -7.901 7.883 2.209 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.979 5.252 1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.559 4.819 1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.805 5.877 0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.179 7.819 1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.354 7.005 2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.473 5.403 2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.166 6.678 0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.200 8.226 3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.843 6.719 3.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.747 7.366 3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.067 6.563 1.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.198 8.254 2.034 1.00 0.00 H new ATOM 69 N LEU A 12 -8.056 4.307 3.314 1.00 0.00 N ATOM 70 CA LEU A 12 -8.314 3.821 4.656 1.00 0.00 C ATOM 71 C LEU A 12 -7.091 3.207 5.284 1.00 0.00 C ATOM 72 O LEU A 12 -6.360 2.429 4.673 1.00 0.00 O ATOM 73 CB LEU A 12 -9.450 2.817 4.632 1.00 0.00 C ATOM 74 CG LEU A 12 -10.773 3.480 4.344 1.00 0.00 C ATOM 75 CD1 LEU A 12 -11.361 2.984 3.031 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.752 3.281 5.492 1.00 0.00 C ATOM 0 H LEU A 12 -8.246 3.629 2.576 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.595 4.678 5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.250 2.059 3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.502 2.303 5.592 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.591 4.550 4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.315 3.479 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.674 3.210 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.516 1.907 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.696 3.771 5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.924 2.215 5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.338 3.714 6.402 1.00 0.00 H new ATOM 88 N CYS A 13 -6.893 3.591 6.526 1.00 0.00 N ATOM 89 CA CYS A 13 -5.762 3.117 7.313 1.00 0.00 C ATOM 90 C CYS A 13 -6.219 2.169 8.413 1.00 0.00 C ATOM 91 O CYS A 13 -7.414 1.990 8.639 1.00 0.00 O ATOM 92 CB CYS A 13 -5.009 4.301 7.923 1.00 0.00 C ATOM 93 SG CYS A 13 -3.965 5.209 6.739 1.00 0.00 S ATOM 0 H CYS A 13 -7.506 4.238 7.023 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.093 2.571 6.648 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.731 4.992 8.358 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.383 3.938 8.739 1.00 0.00 H new ATOM 98 N ALA A 14 -5.254 1.567 9.093 1.00 0.00 N ATOM 99 CA ALA A 14 -5.535 0.634 10.176 1.00 0.00 C ATOM 100 C ALA A 14 -5.662 1.356 11.516 1.00 0.00 C ATOM 101 O ALA A 14 -5.282 0.821 12.558 1.00 0.00 O ATOM 102 CB ALA A 14 -4.444 -0.426 10.243 1.00 0.00 C ATOM 0 H ALA A 14 -4.260 1.710 8.912 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.491 0.152 9.970 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.661 -1.120 11.055 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.408 -0.971 9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.482 0.053 10.422 1.00 0.00 H new ATOM 108 N ASP A 15 -6.199 2.575 11.482 1.00 0.00 N ATOM 109 CA ASP A 15 -6.378 3.378 12.690 1.00 0.00 C ATOM 110 C ASP A 15 -6.700 4.824 12.329 1.00 0.00 C ATOM 111 O ASP A 15 -6.940 5.146 11.165 1.00 0.00 O ATOM 112 CB ASP A 15 -5.122 3.329 13.567 1.00 0.00 C ATOM 113 CG ASP A 15 -5.354 2.585 14.869 1.00 0.00 C ATOM 114 OD1 ASP A 15 -6.014 1.525 14.836 1.00 0.00 O ATOM 115 OD2 ASP A 15 -4.878 3.063 15.919 1.00 0.00 O ATOM 0 H ASP A 15 -6.519 3.029 10.627 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.213 2.959 13.251 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.315 2.847 13.015 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.795 4.346 13.786 1.00 0.00 H new ATOM 120 N GLN A 16 -6.697 5.695 13.333 1.00 0.00 N ATOM 121 CA GLN A 16 -6.984 7.108 13.118 1.00 0.00 C ATOM 122 C GLN A 16 -5.747 7.841 12.607 1.00 0.00 C ATOM 123 O GLN A 16 -5.761 8.418 11.520 1.00 0.00 O ATOM 124 CB GLN A 16 -7.473 7.754 14.416 1.00 0.00 C ATOM 125 CG GLN A 16 -8.720 7.099 14.988 1.00 0.00 C ATOM 126 CD GLN A 16 -9.995 7.794 14.552 1.00 0.00 C ATOM 127 OE1 GLN A 16 -10.190 8.075 13.369 1.00 0.00 O ATOM 128 NE2 GLN A 16 -10.874 8.074 15.508 1.00 0.00 N ATOM 0 H GLN A 16 -6.499 5.447 14.302 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.768 7.184 12.365 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.676 7.708 15.158 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.678 8.809 14.233 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.754 6.055 14.675 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.662 7.104 16.076 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.672 7.823 16.476 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.751 8.540 15.274 1.00 0.00 H new ATOM 137 N GLU A 17 -4.681 7.811 13.398 1.00 0.00 N ATOM 138 CA GLU A 17 -3.434 8.470 13.029 1.00 0.00 C ATOM 139 C GLU A 17 -2.749 7.749 11.870 1.00 0.00 C ATOM 140 O GLU A 17 -1.852 8.298 11.231 1.00 0.00 O ATOM 141 CB GLU A 17 -2.493 8.533 14.232 1.00 0.00 C ATOM 142 CG GLU A 17 -2.168 7.171 14.823 1.00 0.00 C ATOM 143 CD GLU A 17 -3.013 6.846 16.038 1.00 0.00 C ATOM 144 OE1 GLU A 17 -2.841 7.517 17.077 1.00 0.00 O ATOM 145 OE2 GLU A 17 -3.847 5.920 15.950 1.00 0.00 O ATOM 0 H GLU A 17 -4.655 7.336 14.301 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.674 9.483 12.706 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.565 9.020 13.932 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.945 9.156 15.004 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.320 6.404 14.064 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.114 7.141 15.100 1.00 0.00 H new ATOM 152 N CYS A 18 -3.173 6.515 11.605 1.00 0.00 N ATOM 153 CA CYS A 18 -2.596 5.723 10.523 1.00 0.00 C ATOM 154 C CYS A 18 -1.137 5.388 10.814 1.00 0.00 C ATOM 155 O CYS A 18 -0.226 5.992 10.248 1.00 0.00 O ATOM 156 CB CYS A 18 -2.706 6.471 9.193 1.00 0.00 C ATOM 157 SG CYS A 18 -2.221 5.482 7.741 1.00 0.00 S ATOM 0 H CYS A 18 -3.913 6.043 12.124 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.158 4.792 10.451 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.734 6.809 9.062 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.081 7.363 9.237 1.00 0.00 H new ATOM 162 N SER A 19 -0.923 4.422 11.702 1.00 0.00 N ATOM 163 CA SER A 19 0.425 4.007 12.069 1.00 0.00 C ATOM 164 C SER A 19 0.543 2.486 12.092 1.00 0.00 C ATOM 165 O SER A 19 1.441 1.914 11.475 1.00 0.00 O ATOM 166 CB SER A 19 0.801 4.579 13.438 1.00 0.00 C ATOM 167 OG SER A 19 2.166 4.960 13.475 1.00 0.00 O ATOM 0 H SER A 19 -1.666 3.913 12.180 1.00 0.00 H new ATOM 0 HA SER A 19 1.113 4.394 11.317 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.173 5.442 13.660 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.607 3.836 14.212 1.00 0.00 H new ATOM 0 HG SER A 19 2.380 5.324 14.359 1.00 0.00 H new ATOM 173 N HIS A 20 -0.370 1.836 12.808 1.00 0.00 N ATOM 174 CA HIS A 20 -0.366 0.382 12.911 1.00 0.00 C ATOM 175 C HIS A 20 -0.645 -0.264 11.554 1.00 0.00 C ATOM 176 O HIS A 20 -1.468 0.230 10.783 1.00 0.00 O ATOM 177 CB HIS A 20 -1.408 -0.079 13.933 1.00 0.00 C ATOM 178 CG HIS A 20 -0.821 -0.458 15.257 1.00 0.00 C ATOM 179 ND1 HIS A 20 0.402 -1.084 15.388 1.00 0.00 N ATOM 180 CD2 HIS A 20 -1.294 -0.296 16.516 1.00 0.00 C ATOM 181 CE1 HIS A 20 0.654 -1.291 16.668 1.00 0.00 C ATOM 182 NE2 HIS A 20 -0.359 -0.822 17.373 1.00 0.00 N ATOM 0 H HIS A 20 -1.121 2.294 13.325 1.00 0.00 H new ATOM 0 HA HIS A 20 0.624 0.069 13.243 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.136 0.718 14.082 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.950 -0.933 13.527 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.232 0.162 16.794 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.538 -1.764 17.070 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.435 -0.846 18.390 1.00 0.00 H new ATOM 191 N PRO A 21 0.039 -1.380 11.242 1.00 0.00 N ATOM 192 CA PRO A 21 -0.144 -2.088 9.969 1.00 0.00 C ATOM 193 C PRO A 21 -1.596 -2.491 9.733 1.00 0.00 C ATOM 194 O PRO A 21 -2.456 -2.285 10.589 1.00 0.00 O ATOM 195 CB PRO A 21 0.737 -3.333 10.115 1.00 0.00 C ATOM 196 CG PRO A 21 1.742 -2.973 11.154 1.00 0.00 C ATOM 197 CD PRO A 21 1.041 -2.039 12.100 1.00 0.00 C ATOM 0 HA PRO A 21 0.122 -1.461 9.118 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.149 -4.199 10.418 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.219 -3.589 9.171 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.100 -3.861 11.675 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.613 -2.494 10.706 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.574 -2.577 12.925 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.731 -1.319 12.540 1.00 0.00 H new ATOM 205 N ILE A 22 -1.860 -3.070 8.565 1.00 0.00 N ATOM 206 CA ILE A 22 -3.206 -3.506 8.212 1.00 0.00 C ATOM 207 C ILE A 22 -3.325 -5.021 8.298 1.00 0.00 C ATOM 208 O ILE A 22 -4.292 -5.556 8.840 1.00 0.00 O ATOM 209 CB ILE A 22 -3.590 -3.044 6.780 1.00 0.00 C ATOM 210 CG1 ILE A 22 -5.023 -2.506 6.762 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.432 -4.175 5.758 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.156 -1.113 7.339 1.00 0.00 C ATOM 0 H ILE A 22 -1.158 -3.248 7.847 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.891 -3.049 8.926 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.906 -2.245 6.495 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.387 -2.501 5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.664 -3.185 7.324 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.710 -3.813 4.768 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.395 -4.510 5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.078 -5.008 6.034 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.199 -0.798 7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.823 -1.116 8.377 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.542 -0.421 6.763 1.00 0.00 H new ATOM 224 N SER A 23 -2.340 -5.698 7.729 1.00 0.00 N ATOM 225 CA SER A 23 -2.319 -7.148 7.696 1.00 0.00 C ATOM 226 C SER A 23 -1.077 -7.641 6.974 1.00 0.00 C ATOM 227 O SER A 23 -0.161 -6.870 6.686 1.00 0.00 O ATOM 228 CB SER A 23 -3.576 -7.672 6.992 1.00 0.00 C ATOM 229 OG SER A 23 -3.669 -7.165 5.672 1.00 0.00 O ATOM 0 H SER A 23 -1.537 -5.258 7.279 1.00 0.00 H new ATOM 0 HA SER A 23 -2.300 -7.522 8.720 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.555 -8.761 6.966 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.461 -7.384 7.559 1.00 0.00 H new ATOM 0 HG SER A 23 -3.082 -7.681 5.081 1.00 0.00 H new ATOM 235 N MET A 24 -1.060 -8.927 6.687 1.00 0.00 N ATOM 236 CA MET A 24 0.067 -9.543 5.992 1.00 0.00 C ATOM 237 C MET A 24 -0.381 -10.171 4.677 1.00 0.00 C ATOM 238 O MET A 24 -1.427 -10.818 4.614 1.00 0.00 O ATOM 239 CB MET A 24 0.724 -10.603 6.876 1.00 0.00 C ATOM 240 CG MET A 24 2.225 -10.724 6.672 1.00 0.00 C ATOM 241 SD MET A 24 2.953 -12.058 7.643 1.00 0.00 S ATOM 242 CE MET A 24 2.842 -13.419 6.485 1.00 0.00 C ATOM 0 H MET A 24 -1.814 -9.573 6.923 1.00 0.00 H new ATOM 0 HA MET A 24 0.794 -8.761 5.773 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.526 -10.365 7.921 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.260 -11.569 6.676 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.432 -10.895 5.615 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.702 -9.782 6.942 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.134 -14.159 6.859 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.501 -13.048 5.519 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.823 -13.881 6.371 1.00 0.00 H new ATOM 252 N ALA A 25 0.415 -9.979 3.628 1.00 0.00 N ATOM 253 CA ALA A 25 0.091 -10.533 2.319 1.00 0.00 C ATOM 254 C ALA A 25 1.344 -10.937 1.557 1.00 0.00 C ATOM 255 O ALA A 25 2.334 -10.209 1.537 1.00 0.00 O ATOM 256 CB ALA A 25 -0.729 -9.538 1.510 1.00 0.00 C ATOM 0 H ALA A 25 1.284 -9.447 3.660 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.503 -11.433 2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.963 -9.966 0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.655 -9.314 2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.157 -8.620 1.375 1.00 0.00 H new ATOM 262 N VAL A 26 1.285 -12.107 0.931 1.00 0.00 N ATOM 263 CA VAL A 26 2.413 -12.623 0.162 1.00 0.00 C ATOM 264 C VAL A 26 2.212 -12.401 -1.334 1.00 0.00 C ATOM 265 O VAL A 26 1.088 -12.246 -1.803 1.00 0.00 O ATOM 266 CB VAL A 26 2.623 -14.127 0.423 1.00 0.00 C ATOM 267 CG1 VAL A 26 3.886 -14.622 -0.266 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.678 -14.406 1.917 1.00 0.00 C ATOM 0 H VAL A 26 0.468 -12.717 0.941 1.00 0.00 H new ATOM 0 HA VAL A 26 3.296 -12.075 0.489 1.00 0.00 H new ATOM 0 HB VAL A 26 1.775 -14.670 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.015 -15.686 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.802 -14.460 -1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.748 -14.075 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.827 -15.473 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.505 -13.851 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.742 -14.094 2.380 1.00 0.00 H new ATOM 278 N ALA A 27 3.312 -12.387 -2.077 1.00 0.00 N ATOM 279 CA ALA A 27 3.263 -12.183 -3.519 1.00 0.00 C ATOM 280 C ALA A 27 2.684 -13.402 -4.230 1.00 0.00 C ATOM 281 O ALA A 27 3.167 -14.521 -4.060 1.00 0.00 O ATOM 282 CB ALA A 27 4.654 -11.874 -4.054 1.00 0.00 C ATOM 0 H ALA A 27 4.252 -12.515 -1.703 1.00 0.00 H new ATOM 0 HA ALA A 27 2.608 -11.334 -3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.604 -11.724 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.034 -10.970 -3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.322 -12.707 -3.834 1.00 0.00 H new ATOM 288 N LEU A 28 1.649 -13.172 -5.030 1.00 0.00 N ATOM 289 CA LEU A 28 1.002 -14.247 -5.773 1.00 0.00 C ATOM 290 C LEU A 28 1.715 -14.512 -7.100 1.00 0.00 C ATOM 291 O LEU A 28 1.367 -15.449 -7.818 1.00 0.00 O ATOM 292 CB LEU A 28 -0.464 -13.898 -6.038 1.00 0.00 C ATOM 293 CG LEU A 28 -1.431 -14.264 -4.911 1.00 0.00 C ATOM 294 CD1 LEU A 28 -2.861 -13.928 -5.305 1.00 0.00 C ATOM 295 CD2 LEU A 28 -1.304 -15.739 -4.561 1.00 0.00 C ATOM 0 H LEU A 28 1.240 -12.250 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 28 1.057 -15.151 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.538 -12.827 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.783 -14.405 -6.949 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.173 -13.678 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.535 -14.195 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.941 -12.860 -5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.133 -14.488 -6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.999 -15.983 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.537 -16.342 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.285 -15.949 -4.236 1.00 0.00 H new ATOM 307 N GLN A 29 2.715 -13.687 -7.417 1.00 0.00 N ATOM 308 CA GLN A 29 3.478 -13.832 -8.648 1.00 0.00 C ATOM 309 C GLN A 29 4.340 -12.601 -8.901 1.00 0.00 C ATOM 310 O GLN A 29 4.266 -11.613 -8.171 1.00 0.00 O ATOM 311 CB GLN A 29 2.554 -14.066 -9.847 1.00 0.00 C ATOM 312 CG GLN A 29 1.389 -13.094 -9.914 1.00 0.00 C ATOM 313 CD GLN A 29 0.069 -13.782 -10.197 1.00 0.00 C ATOM 314 OE1 GLN A 29 0.026 -14.825 -10.851 1.00 0.00 O ATOM 315 NE2 GLN A 29 -1.019 -13.202 -9.704 1.00 0.00 N ATOM 0 H GLN A 29 3.013 -12.908 -6.830 1.00 0.00 H new ATOM 0 HA GLN A 29 4.125 -14.701 -8.529 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.136 -13.986 -10.765 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.166 -15.084 -9.803 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.317 -12.554 -8.970 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.582 -12.354 -10.691 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.938 -12.338 -9.168 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.936 -13.620 -9.862 1.00 0.00 H new ATOM 324 N ASP A 30 5.154 -12.673 -9.946 1.00 0.00 N ATOM 325 CA ASP A 30 6.035 -11.570 -10.310 1.00 0.00 C ATOM 326 C ASP A 30 5.242 -10.436 -10.950 1.00 0.00 C ATOM 327 O ASP A 30 4.296 -10.674 -11.700 1.00 0.00 O ATOM 328 CB ASP A 30 7.124 -12.054 -11.271 1.00 0.00 C ATOM 329 CG ASP A 30 8.118 -10.963 -11.615 1.00 0.00 C ATOM 330 OD1 ASP A 30 8.993 -10.669 -10.771 1.00 0.00 O ATOM 331 OD2 ASP A 30 8.024 -10.402 -12.726 1.00 0.00 O ATOM 0 H ASP A 30 5.223 -13.486 -10.558 1.00 0.00 H new ATOM 0 HA ASP A 30 6.506 -11.195 -9.401 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.653 -12.895 -10.823 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.660 -12.421 -12.187 1.00 0.00 H new ATOM 336 N TYR A 31 5.630 -9.202 -10.647 1.00 0.00 N ATOM 337 CA TYR A 31 4.948 -8.035 -11.193 1.00 0.00 C ATOM 338 C TYR A 31 5.825 -6.788 -11.092 1.00 0.00 C ATOM 339 O TYR A 31 5.782 -6.066 -10.096 1.00 0.00 O ATOM 340 CB TYR A 31 3.619 -7.818 -10.459 1.00 0.00 C ATOM 341 CG TYR A 31 3.027 -6.437 -10.641 1.00 0.00 C ATOM 342 CD1 TYR A 31 2.555 -6.017 -11.879 1.00 0.00 C ATOM 343 CD2 TYR A 31 2.943 -5.554 -9.573 1.00 0.00 C ATOM 344 CE1 TYR A 31 2.016 -4.756 -12.046 1.00 0.00 C ATOM 345 CE2 TYR A 31 2.405 -4.292 -9.731 1.00 0.00 C ATOM 346 CZ TYR A 31 1.943 -3.898 -10.969 1.00 0.00 C ATOM 347 OH TYR A 31 1.407 -2.640 -11.130 1.00 0.00 O ATOM 0 H TYR A 31 6.411 -8.985 -10.028 1.00 0.00 H new ATOM 0 HA TYR A 31 4.747 -8.216 -12.249 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.899 -8.558 -10.808 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.771 -7.998 -9.395 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.611 -6.687 -12.724 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.305 -5.859 -8.602 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.654 -4.444 -13.014 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.346 -3.617 -8.890 1.00 0.00 H new ATOM 0 HH TYR A 31 1.429 -2.163 -10.274 1.00 0.00 H new ATOM 357 N MET A 32 6.622 -6.544 -12.128 1.00 0.00 N ATOM 358 CA MET A 32 7.506 -5.405 -12.161 1.00 0.00 C ATOM 359 C MET A 32 6.717 -4.100 -12.187 1.00 0.00 C ATOM 360 O MET A 32 6.533 -3.498 -13.245 1.00 0.00 O ATOM 361 CB MET A 32 8.430 -5.482 -13.378 1.00 0.00 C ATOM 362 CG MET A 32 7.701 -5.778 -14.679 1.00 0.00 C ATOM 363 SD MET A 32 8.708 -5.431 -16.134 1.00 0.00 S ATOM 364 CE MET A 32 7.838 -6.373 -17.383 1.00 0.00 C ATOM 0 H MET A 32 6.666 -7.133 -12.960 1.00 0.00 H new ATOM 0 HA MET A 32 8.110 -5.423 -11.254 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.965 -4.537 -13.478 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.179 -6.256 -13.207 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.400 -6.825 -14.692 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.789 -5.183 -14.723 1.00 0.00 H new ATOM 0 HE1 MET A 32 8.342 -6.258 -18.342 1.00 0.00 H new ATOM 0 HE2 MET A 32 7.827 -7.426 -17.102 1.00 0.00 H new ATOM 0 HE3 MET A 32 6.814 -6.009 -17.466 1.00 0.00 H new ATOM 374 N ALA A 33 6.245 -3.677 -11.015 1.00 0.00 N ATOM 375 CA ALA A 33 5.465 -2.458 -10.879 1.00 0.00 C ATOM 376 C ALA A 33 5.987 -1.337 -11.780 1.00 0.00 C ATOM 377 O ALA A 33 6.958 -0.661 -11.442 1.00 0.00 O ATOM 378 CB ALA A 33 5.458 -2.002 -9.428 1.00 0.00 C ATOM 0 H ALA A 33 6.395 -4.173 -10.136 1.00 0.00 H new ATOM 0 HA ALA A 33 4.447 -2.684 -11.196 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.871 -1.088 -9.337 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.018 -2.780 -8.804 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.480 -1.811 -9.102 1.00 0.00 H new ATOM 384 N PRO A 34 5.348 -1.126 -12.946 1.00 0.00 N ATOM 385 CA PRO A 34 5.753 -0.088 -13.892 1.00 0.00 C ATOM 386 C PRO A 34 5.180 1.281 -13.534 1.00 0.00 C ATOM 387 O PRO A 34 4.547 1.935 -14.363 1.00 0.00 O ATOM 388 CB PRO A 34 5.162 -0.589 -15.206 1.00 0.00 C ATOM 389 CG PRO A 34 3.919 -1.307 -14.806 1.00 0.00 C ATOM 390 CD PRO A 34 4.179 -1.886 -13.436 1.00 0.00 C ATOM 0 HA PRO A 34 6.833 0.059 -13.913 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.943 0.237 -15.883 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.854 -1.252 -15.725 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.068 -0.626 -14.784 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.679 -2.094 -15.521 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.318 -1.762 -12.780 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.390 -2.954 -13.487 1.00 0.00 H new ATOM 398 N ASP A 35 5.407 1.708 -12.296 1.00 0.00 N ATOM 399 CA ASP A 35 4.912 3.000 -11.832 1.00 0.00 C ATOM 400 C ASP A 35 6.007 3.774 -11.106 1.00 0.00 C ATOM 401 O ASP A 35 6.170 3.648 -9.893 1.00 0.00 O ATOM 402 CB ASP A 35 3.710 2.805 -10.906 1.00 0.00 C ATOM 403 CG ASP A 35 2.480 2.323 -11.650 1.00 0.00 C ATOM 404 OD1 ASP A 35 1.936 3.098 -12.464 1.00 0.00 O ATOM 405 OD2 ASP A 35 2.059 1.170 -11.418 1.00 0.00 O ATOM 0 H ASP A 35 5.929 1.180 -11.597 1.00 0.00 H new ATOM 0 HA ASP A 35 4.602 3.577 -12.703 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.967 2.085 -10.129 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.483 3.747 -10.406 1.00 0.00 H new ATOM 410 N CYS A 36 6.755 4.576 -11.857 1.00 0.00 N ATOM 411 CA CYS A 36 7.835 5.371 -11.284 1.00 0.00 C ATOM 412 C CYS A 36 8.886 4.477 -10.634 1.00 0.00 C ATOM 413 O CYS A 36 9.545 4.874 -9.673 1.00 0.00 O ATOM 414 CB CYS A 36 7.278 6.357 -10.253 1.00 0.00 C ATOM 415 SG CYS A 36 6.927 8.015 -10.923 1.00 0.00 S ATOM 0 H CYS A 36 6.633 4.692 -12.863 1.00 0.00 H new ATOM 0 HA CYS A 36 8.310 5.928 -12.092 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.361 5.946 -9.831 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.991 6.451 -9.434 1.00 0.00 H new ATOM 420 N ARG A 37 9.038 3.266 -11.164 1.00 0.00 N ATOM 421 CA ARG A 37 10.010 2.317 -10.634 1.00 0.00 C ATOM 422 C ARG A 37 9.714 1.997 -9.172 1.00 0.00 C ATOM 423 O ARG A 37 10.626 1.903 -8.349 1.00 0.00 O ATOM 424 CB ARG A 37 11.428 2.878 -10.771 1.00 0.00 C ATOM 425 CG ARG A 37 12.515 1.828 -10.611 1.00 0.00 C ATOM 426 CD ARG A 37 13.863 2.464 -10.315 1.00 0.00 C ATOM 427 NE ARG A 37 14.044 2.724 -8.889 1.00 0.00 N ATOM 428 CZ ARG A 37 14.386 1.791 -8.003 1.00 0.00 C ATOM 429 NH1 ARG A 37 14.586 0.537 -8.392 1.00 0.00 N ATOM 430 NH2 ARG A 37 14.527 2.113 -6.724 1.00 0.00 N ATOM 0 H ARG A 37 8.501 2.920 -11.959 1.00 0.00 H new ATOM 0 HA ARG A 37 9.935 1.395 -11.211 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.531 3.349 -11.748 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.575 3.658 -10.024 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.248 1.146 -9.804 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.584 1.233 -11.521 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.659 1.808 -10.668 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.952 3.399 -10.868 1.00 0.00 H new ATOM 0 HE ARG A 37 13.900 3.676 -8.552 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.478 0.284 -9.374 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.848 -0.173 -7.709 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.373 3.075 -6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.789 1.399 -6.044 1.00 0.00 H new ATOM 444 N PHE A 38 8.434 1.830 -8.856 1.00 0.00 N ATOM 445 CA PHE A 38 8.016 1.521 -7.493 1.00 0.00 C ATOM 446 C PHE A 38 8.531 0.151 -7.062 1.00 0.00 C ATOM 447 O PHE A 38 9.375 -0.445 -7.731 1.00 0.00 O ATOM 448 CB PHE A 38 6.491 1.570 -7.383 1.00 0.00 C ATOM 449 CG PHE A 38 5.989 2.681 -6.505 1.00 0.00 C ATOM 450 CD1 PHE A 38 6.416 2.790 -5.191 1.00 0.00 C ATOM 451 CD2 PHE A 38 5.091 3.616 -6.993 1.00 0.00 C ATOM 452 CE1 PHE A 38 5.956 3.812 -4.381 1.00 0.00 C ATOM 453 CE2 PHE A 38 4.628 4.639 -6.189 1.00 0.00 C ATOM 454 CZ PHE A 38 5.061 4.737 -4.881 1.00 0.00 C ATOM 0 H PHE A 38 7.668 1.903 -9.525 1.00 0.00 H new ATOM 0 HA PHE A 38 8.444 2.271 -6.828 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.066 1.685 -8.380 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.132 0.618 -6.992 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.116 2.069 -4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.749 3.544 -8.015 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.296 3.887 -3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.928 5.361 -6.582 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.700 5.536 -4.250 1.00 0.00 H new ATOM 464 N LEU A 39 8.017 -0.343 -5.941 1.00 0.00 N ATOM 465 CA LEU A 39 8.423 -1.642 -5.417 1.00 0.00 C ATOM 466 C LEU A 39 7.710 -2.773 -6.150 1.00 0.00 C ATOM 467 O LEU A 39 6.517 -3.000 -5.950 1.00 0.00 O ATOM 468 CB LEU A 39 8.131 -1.725 -3.919 1.00 0.00 C ATOM 469 CG LEU A 39 9.115 -2.574 -3.113 1.00 0.00 C ATOM 470 CD1 LEU A 39 10.525 -2.015 -3.234 1.00 0.00 C ATOM 471 CD2 LEU A 39 8.688 -2.640 -1.655 1.00 0.00 C ATOM 0 H LEU A 39 7.317 0.138 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 39 9.496 -1.750 -5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.126 -0.715 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.128 -2.130 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 39 9.112 -3.586 -3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.212 -2.632 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.829 -2.019 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.545 -0.994 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.399 -3.248 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.663 -1.634 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.696 -3.086 -1.586 1.00 0.00 H new ATOM 483 N THR A 40 8.449 -3.480 -6.999 1.00 0.00 N ATOM 484 CA THR A 40 7.885 -4.588 -7.762 1.00 0.00 C ATOM 485 C THR A 40 7.539 -5.762 -6.853 1.00 0.00 C ATOM 486 O THR A 40 7.907 -5.785 -5.679 1.00 0.00 O ATOM 487 CB THR A 40 8.867 -5.046 -8.843 1.00 0.00 C ATOM 488 OG1 THR A 40 8.491 -6.313 -9.356 1.00 0.00 O ATOM 489 CG2 THR A 40 10.296 -5.159 -8.356 1.00 0.00 C ATOM 0 H THR A 40 9.438 -3.306 -7.176 1.00 0.00 H new ATOM 0 HA THR A 40 6.969 -4.234 -8.234 1.00 0.00 H new ATOM 0 HB THR A 40 8.824 -4.274 -9.611 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.201 -6.654 -9.939 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.935 -5.488 -9.176 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.636 -4.187 -7.998 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.347 -5.883 -7.543 1.00 0.00 H new ATOM 497 N ILE A 41 6.831 -6.739 -7.412 1.00 0.00 N ATOM 498 CA ILE A 41 6.436 -7.926 -6.664 1.00 0.00 C ATOM 499 C ILE A 41 7.060 -9.177 -7.271 1.00 0.00 C ATOM 500 O ILE A 41 7.174 -9.294 -8.491 1.00 0.00 O ATOM 501 CB ILE A 41 4.903 -8.089 -6.637 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.236 -6.788 -6.179 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.507 -9.246 -5.731 1.00 0.00 C ATOM 504 CD1 ILE A 41 4.469 -6.466 -4.719 1.00 0.00 C ATOM 0 H ILE A 41 6.519 -6.731 -8.383 1.00 0.00 H new ATOM 0 HA ILE A 41 6.795 -7.798 -5.643 1.00 0.00 H new ATOM 0 HB ILE A 41 4.559 -8.313 -7.647 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.610 -5.965 -6.788 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.163 -6.857 -6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.422 -9.347 -5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.955 -10.168 -6.102 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.860 -9.053 -4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.967 -5.532 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.070 -7.270 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.539 -6.364 -4.535 1.00 0.00 H new ATOM 516 N HIS A 42 7.468 -10.111 -6.417 1.00 0.00 N ATOM 517 CA HIS A 42 8.084 -11.349 -6.880 1.00 0.00 C ATOM 518 C HIS A 42 7.513 -12.556 -6.142 1.00 0.00 C ATOM 519 O HIS A 42 7.210 -12.482 -4.951 1.00 0.00 O ATOM 520 CB HIS A 42 9.602 -11.290 -6.692 1.00 0.00 C ATOM 521 CG HIS A 42 10.373 -11.716 -7.903 1.00 0.00 C ATOM 522 ND1 HIS A 42 11.501 -11.058 -8.347 1.00 0.00 N ATOM 523 CD2 HIS A 42 10.173 -12.741 -8.766 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.960 -11.660 -9.431 1.00 0.00 C ATOM 525 NE2 HIS A 42 11.173 -12.683 -9.704 1.00 0.00 N ATOM 0 H HIS A 42 7.383 -10.034 -5.403 1.00 0.00 H new ATOM 0 HA HIS A 42 7.860 -11.460 -7.941 1.00 0.00 H new ATOM 0 HB2 HIS A 42 9.888 -10.271 -6.429 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.881 -11.926 -5.852 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.375 -13.468 -8.724 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.831 -11.364 -9.997 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.289 -13.327 -10.486 1.00 0.00 H new ATOM 534 N ARG A 43 7.367 -13.667 -6.861 1.00 0.00 N ATOM 535 CA ARG A 43 6.828 -14.896 -6.289 1.00 0.00 C ATOM 536 C ARG A 43 7.440 -15.208 -4.927 1.00 0.00 C ATOM 537 O ARG A 43 8.537 -14.752 -4.603 1.00 0.00 O ATOM 538 CB ARG A 43 7.076 -16.074 -7.236 1.00 0.00 C ATOM 539 CG ARG A 43 5.870 -16.458 -8.078 1.00 0.00 C ATOM 540 CD ARG A 43 4.638 -16.705 -7.222 1.00 0.00 C ATOM 541 NE ARG A 43 4.669 -18.018 -6.581 1.00 0.00 N ATOM 542 CZ ARG A 43 3.635 -18.553 -5.936 1.00 0.00 C ATOM 543 NH1 ARG A 43 2.489 -17.889 -5.839 1.00 0.00 N ATOM 544 NH2 ARG A 43 3.747 -19.754 -5.385 1.00 0.00 N ATOM 0 H ARG A 43 7.617 -13.740 -7.847 1.00 0.00 H new ATOM 0 HA ARG A 43 5.757 -14.745 -6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.904 -15.825 -7.899 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.386 -16.939 -6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.661 -15.665 -8.796 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.099 -17.355 -8.653 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.566 -15.931 -6.458 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.745 -16.625 -7.841 1.00 0.00 H new ATOM 0 HE ARG A 43 5.534 -18.556 -6.631 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.398 -16.964 -6.260 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.700 -18.304 -5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.625 -20.268 -5.456 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.955 -20.164 -4.891 1.00 0.00 H new ATOM 558 N GLY A 44 6.718 -16.003 -4.147 1.00 0.00 N ATOM 559 CA GLY A 44 7.183 -16.399 -2.827 1.00 0.00 C ATOM 560 C GLY A 44 7.776 -15.254 -2.027 1.00 0.00 C ATOM 561 O GLY A 44 8.769 -15.434 -1.321 1.00 0.00 O ATOM 0 H GLY A 44 5.809 -16.385 -4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.350 -16.828 -2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.932 -17.183 -2.934 1.00 0.00 H new ATOM 565 N GLN A 45 7.168 -14.077 -2.128 1.00 0.00 N ATOM 566 CA GLN A 45 7.644 -12.910 -1.400 1.00 0.00 C ATOM 567 C GLN A 45 6.568 -12.394 -0.453 1.00 0.00 C ATOM 568 O GLN A 45 5.554 -11.849 -0.890 1.00 0.00 O ATOM 569 CB GLN A 45 8.057 -11.807 -2.375 1.00 0.00 C ATOM 570 CG GLN A 45 8.953 -10.748 -1.752 1.00 0.00 C ATOM 571 CD GLN A 45 9.539 -9.802 -2.781 1.00 0.00 C ATOM 572 OE1 GLN A 45 8.671 -9.131 -3.531 1.00 0.00 O flip ATOM 573 NE2 GLN A 45 10.757 -9.674 -2.902 1.00 0.00 N flip ATOM 0 H GLN A 45 6.345 -13.907 -2.707 1.00 0.00 H new ATOM 0 HA GLN A 45 8.513 -13.204 -0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.575 -12.257 -3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.161 -11.327 -2.768 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.380 -10.176 -1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.763 -11.236 -1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.388 -10.209 -2.305 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.136 -9.033 -3.599 1.00 0.00 H new ATOM 582 N VAL A 46 6.792 -12.567 0.845 1.00 0.00 N ATOM 583 CA VAL A 46 5.839 -12.113 1.845 1.00 0.00 C ATOM 584 C VAL A 46 5.814 -10.591 1.894 1.00 0.00 C ATOM 585 O VAL A 46 6.783 -9.937 1.509 1.00 0.00 O ATOM 586 CB VAL A 46 6.188 -12.671 3.236 1.00 0.00 C ATOM 587 CG1 VAL A 46 5.157 -12.241 4.269 1.00 0.00 C ATOM 588 CG2 VAL A 46 6.300 -14.188 3.185 1.00 0.00 C ATOM 0 H VAL A 46 7.624 -13.018 1.226 1.00 0.00 H new ATOM 0 HA VAL A 46 4.853 -12.482 1.562 1.00 0.00 H new ATOM 0 HB VAL A 46 7.153 -12.263 3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.427 -12.648 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.130 -11.153 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.174 -12.613 3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.547 -14.568 4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.350 -14.612 2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.083 -14.472 2.482 1.00 0.00 H new ATOM 598 N VAL A 47 4.705 -10.027 2.353 1.00 0.00 N ATOM 599 CA VAL A 47 4.566 -8.597 2.428 1.00 0.00 C ATOM 600 C VAL A 47 3.722 -8.177 3.628 1.00 0.00 C ATOM 601 O VAL A 47 3.072 -9.006 4.265 1.00 0.00 O ATOM 602 CB VAL A 47 3.936 -8.018 1.142 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.380 -6.587 0.905 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.254 -8.890 -0.068 1.00 0.00 C ATOM 0 H VAL A 47 3.891 -10.549 2.678 1.00 0.00 H new ATOM 0 HA VAL A 47 5.573 -8.196 2.543 1.00 0.00 H new ATOM 0 HB VAL A 47 2.855 -8.014 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.919 -6.209 -0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.076 -5.967 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.465 -6.555 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.797 -8.457 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.334 -8.944 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.858 -9.893 0.092 1.00 0.00 H new ATOM 614 N TYR A 48 3.735 -6.881 3.923 1.00 0.00 N ATOM 615 CA TYR A 48 2.971 -6.339 5.040 1.00 0.00 C ATOM 616 C TYR A 48 2.269 -5.046 4.635 1.00 0.00 C ATOM 617 O TYR A 48 2.869 -3.972 4.650 1.00 0.00 O ATOM 618 CB TYR A 48 3.889 -6.080 6.235 1.00 0.00 C ATOM 619 CG TYR A 48 4.054 -7.274 7.149 1.00 0.00 C ATOM 620 CD1 TYR A 48 4.910 -8.316 6.814 1.00 0.00 C ATOM 621 CD2 TYR A 48 3.354 -7.360 8.346 1.00 0.00 C ATOM 622 CE1 TYR A 48 5.064 -9.408 7.647 1.00 0.00 C ATOM 623 CE2 TYR A 48 3.502 -8.449 9.184 1.00 0.00 C ATOM 624 CZ TYR A 48 4.358 -9.470 8.830 1.00 0.00 C ATOM 625 OH TYR A 48 4.509 -10.555 9.662 1.00 0.00 O ATOM 0 H TYR A 48 4.268 -6.185 3.402 1.00 0.00 H new ATOM 0 HA TYR A 48 2.216 -7.072 5.324 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.870 -5.777 5.869 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.492 -5.245 6.812 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.464 -8.272 5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.683 -6.562 8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.734 -10.209 7.373 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.950 -8.500 10.111 1.00 0.00 H new ATOM 0 HH TYR A 48 4.330 -11.378 9.162 1.00 0.00 H new ATOM 635 N VAL A 49 0.996 -5.158 4.270 1.00 0.00 N ATOM 636 CA VAL A 49 0.214 -3.997 3.858 1.00 0.00 C ATOM 637 C VAL A 49 -0.071 -3.080 5.041 1.00 0.00 C ATOM 638 O VAL A 49 -0.452 -3.535 6.119 1.00 0.00 O ATOM 639 CB VAL A 49 -1.119 -4.421 3.210 1.00 0.00 C ATOM 640 CG1 VAL A 49 -1.860 -3.210 2.664 1.00 0.00 C ATOM 641 CG2 VAL A 49 -0.875 -5.446 2.113 1.00 0.00 C ATOM 0 H VAL A 49 0.484 -6.040 4.251 1.00 0.00 H new ATOM 0 HA VAL A 49 0.809 -3.456 3.122 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.743 -4.882 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.798 -3.531 2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.069 -2.514 3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.245 -2.715 1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.827 -5.734 1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.231 -5.013 1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.392 -6.326 2.538 1.00 0.00 H new ATOM 651 N PHE A 50 0.121 -1.781 4.831 1.00 0.00 N ATOM 652 CA PHE A 50 -0.111 -0.793 5.877 1.00 0.00 C ATOM 653 C PHE A 50 -1.369 0.021 5.587 1.00 0.00 C ATOM 654 O PHE A 50 -1.993 0.562 6.500 1.00 0.00 O ATOM 655 CB PHE A 50 1.096 0.139 6.004 1.00 0.00 C ATOM 656 CG PHE A 50 2.049 -0.256 7.096 1.00 0.00 C ATOM 657 CD1 PHE A 50 1.867 0.201 8.391 1.00 0.00 C ATOM 658 CD2 PHE A 50 3.126 -1.084 6.825 1.00 0.00 C ATOM 659 CE1 PHE A 50 2.743 -0.161 9.397 1.00 0.00 C ATOM 660 CE2 PHE A 50 4.006 -1.449 7.827 1.00 0.00 C ATOM 661 CZ PHE A 50 3.813 -0.987 9.115 1.00 0.00 C ATOM 0 H PHE A 50 0.437 -1.389 3.944 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.252 -1.323 6.819 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.632 0.157 5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.743 1.153 6.191 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.032 0.847 8.617 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.280 -1.448 5.820 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.591 0.202 10.403 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.843 -2.094 7.603 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.498 -1.272 9.900 1.00 0.00 H new ATOM 671 N SER A 51 -1.736 0.107 4.312 1.00 0.00 N ATOM 672 CA SER A 51 -2.920 0.859 3.912 1.00 0.00 C ATOM 673 C SER A 51 -3.502 0.315 2.612 1.00 0.00 C ATOM 674 O SER A 51 -2.861 -0.465 1.910 1.00 0.00 O ATOM 675 CB SER A 51 -2.577 2.341 3.750 1.00 0.00 C ATOM 676 OG SER A 51 -1.916 2.581 2.520 1.00 0.00 O ATOM 0 H SER A 51 -1.233 -0.333 3.541 1.00 0.00 H new ATOM 0 HA SER A 51 -3.669 0.749 4.696 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.489 2.936 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.943 2.663 4.576 1.00 0.00 H new ATOM 0 HG SER A 51 -1.709 3.536 2.440 1.00 0.00 H new ATOM 682 N LYS A 52 -4.725 0.735 2.301 1.00 0.00 N ATOM 683 CA LYS A 52 -5.400 0.294 1.087 1.00 0.00 C ATOM 684 C LYS A 52 -6.119 1.458 0.414 1.00 0.00 C ATOM 685 O LYS A 52 -7.319 1.653 0.603 1.00 0.00 O ATOM 686 CB LYS A 52 -6.399 -0.818 1.414 1.00 0.00 C ATOM 687 CG LYS A 52 -7.132 -1.357 0.195 1.00 0.00 C ATOM 688 CD LYS A 52 -8.624 -1.075 0.270 1.00 0.00 C ATOM 689 CE LYS A 52 -9.296 -1.278 -1.079 1.00 0.00 C ATOM 690 NZ LYS A 52 -10.769 -1.071 -1.001 1.00 0.00 N ATOM 0 H LYS A 52 -5.268 1.381 2.874 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.648 -0.092 0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.871 -1.637 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.130 -0.440 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.720 -0.905 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.968 -2.432 0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.083 -1.731 1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.786 -0.052 0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.870 -0.586 -1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.089 -2.286 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.190 -1.218 -1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.180 -1.748 -0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.967 -0.101 -0.681 1.00 0.00 H new ATOM 704 N LEU A 53 -5.376 2.232 -0.371 1.00 0.00 N ATOM 705 CA LEU A 53 -5.942 3.379 -1.071 1.00 0.00 C ATOM 706 C LEU A 53 -6.996 2.939 -2.080 1.00 0.00 C ATOM 707 O LEU A 53 -6.776 2.010 -2.858 1.00 0.00 O ATOM 708 CB LEU A 53 -4.838 4.166 -1.778 1.00 0.00 C ATOM 709 CG LEU A 53 -5.255 5.544 -2.299 1.00 0.00 C ATOM 710 CD1 LEU A 53 -4.152 6.564 -2.058 1.00 0.00 C ATOM 711 CD2 LEU A 53 -5.604 5.471 -3.777 1.00 0.00 C ATOM 0 H LEU A 53 -4.381 2.085 -0.538 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.422 4.021 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.004 4.293 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.471 3.574 -2.616 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.142 5.865 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.467 7.537 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.951 6.637 -0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.246 6.250 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.898 6.459 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.736 5.128 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.429 4.773 -3.922 1.00 0.00 H new ATOM 723 N LYS A 54 -8.142 3.614 -2.062 1.00 0.00 N ATOM 724 CA LYS A 54 -9.232 3.294 -2.976 1.00 0.00 C ATOM 725 C LYS A 54 -9.890 4.564 -3.503 1.00 0.00 C ATOM 726 O LYS A 54 -9.355 5.661 -3.348 1.00 0.00 O ATOM 727 CB LYS A 54 -10.270 2.413 -2.275 1.00 0.00 C ATOM 728 CG LYS A 54 -11.022 3.127 -1.163 1.00 0.00 C ATOM 729 CD LYS A 54 -12.468 2.667 -1.082 1.00 0.00 C ATOM 730 CE LYS A 54 -13.359 3.735 -0.467 1.00 0.00 C ATOM 731 NZ LYS A 54 -13.170 5.060 -1.120 1.00 0.00 N ATOM 0 H LYS A 54 -8.339 4.385 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.817 2.747 -3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.986 2.052 -3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.771 1.537 -1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.526 2.941 -0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.991 4.203 -1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.829 2.421 -2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.528 1.755 -0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.402 3.432 -0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.141 3.821 0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.048 5.612 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.397 5.572 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.932 4.922 -2.123 1.00 0.00 H new ATOM 745 N GLY A 55 -11.054 4.410 -4.128 1.00 0.00 N ATOM 746 CA GLY A 55 -11.761 5.554 -4.670 1.00 0.00 C ATOM 747 C GLY A 55 -11.115 6.077 -5.936 1.00 0.00 C ATOM 748 O GLY A 55 -11.739 6.094 -6.998 1.00 0.00 O ATOM 0 H GLY A 55 -11.519 3.513 -4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.794 5.275 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.790 6.348 -3.924 1.00 0.00 H new ATOM 752 N ARG A 56 -9.862 6.504 -5.824 1.00 0.00 N ATOM 753 CA ARG A 56 -9.128 7.029 -6.967 1.00 0.00 C ATOM 754 C ARG A 56 -8.101 6.018 -7.476 1.00 0.00 C ATOM 755 O ARG A 56 -7.558 6.176 -8.570 1.00 0.00 O ATOM 756 CB ARG A 56 -8.432 8.339 -6.593 1.00 0.00 C ATOM 757 CG ARG A 56 -8.707 9.474 -7.567 1.00 0.00 C ATOM 758 CD ARG A 56 -7.581 9.628 -8.576 1.00 0.00 C ATOM 759 NE ARG A 56 -7.528 10.976 -9.137 1.00 0.00 N ATOM 760 CZ ARG A 56 -8.338 11.410 -10.099 1.00 0.00 C ATOM 761 NH1 ARG A 56 -9.264 10.607 -10.610 1.00 0.00 N ATOM 762 NH2 ARG A 56 -8.225 12.651 -10.552 1.00 0.00 N ATOM 0 H ARG A 56 -9.334 6.496 -4.952 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.844 7.219 -7.767 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.755 8.640 -5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.357 8.168 -6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.644 9.286 -8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.832 10.406 -7.015 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.630 9.398 -8.096 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.715 8.905 -9.381 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.829 11.622 -8.770 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.357 9.652 -10.265 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.882 10.946 -11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.517 13.273 -10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.846 12.983 -11.290 1.00 0.00 H new ATOM 776 N GLY A 57 -7.834 4.979 -6.683 1.00 0.00 N ATOM 777 CA GLY A 57 -6.869 3.975 -7.092 1.00 0.00 C ATOM 778 C GLY A 57 -6.933 2.710 -6.256 1.00 0.00 C ATOM 779 O GLY A 57 -5.928 2.283 -5.691 1.00 0.00 O ATOM 0 H GLY A 57 -8.266 4.818 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.040 3.721 -8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.866 4.396 -7.026 1.00 0.00 H new ATOM 783 N ARG A 58 -8.117 2.107 -6.180 1.00 0.00 N ATOM 784 CA ARG A 58 -8.305 0.883 -5.413 1.00 0.00 C ATOM 785 C ARG A 58 -7.319 -0.198 -5.849 1.00 0.00 C ATOM 786 O ARG A 58 -6.950 -1.069 -5.063 1.00 0.00 O ATOM 787 CB ARG A 58 -9.739 0.374 -5.569 1.00 0.00 C ATOM 788 CG ARG A 58 -10.235 -0.425 -4.376 1.00 0.00 C ATOM 789 CD ARG A 58 -11.116 -1.586 -4.808 1.00 0.00 C ATOM 790 NE ARG A 58 -12.466 -1.148 -5.158 1.00 0.00 N ATOM 791 CZ ARG A 58 -13.517 -1.962 -5.217 1.00 0.00 C ATOM 792 NH1 ARG A 58 -13.380 -3.256 -4.953 1.00 0.00 N ATOM 793 NH2 ARG A 58 -14.710 -1.482 -5.543 1.00 0.00 N ATOM 0 H ARG A 58 -8.960 2.448 -6.642 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.118 1.113 -4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.402 1.225 -5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.800 -0.248 -6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.383 -0.804 -3.812 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.795 0.228 -3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.663 -2.085 -5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.170 -2.319 -4.003 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.611 -0.161 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.465 -3.631 -4.703 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.190 -3.875 -5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.822 -0.489 -5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.516 -2.106 -5.588 1.00 0.00 H new ATOM 807 N LEU A 59 -6.902 -0.137 -7.109 1.00 0.00 N ATOM 808 CA LEU A 59 -5.969 -1.106 -7.656 1.00 0.00 C ATOM 809 C LEU A 59 -4.543 -0.877 -7.149 1.00 0.00 C ATOM 810 O LEU A 59 -3.634 -1.635 -7.483 1.00 0.00 O ATOM 811 CB LEU A 59 -5.989 -1.055 -9.185 1.00 0.00 C ATOM 812 CG LEU A 59 -5.981 0.355 -9.786 1.00 0.00 C ATOM 813 CD1 LEU A 59 -4.819 0.519 -10.752 1.00 0.00 C ATOM 814 CD2 LEU A 59 -7.303 0.647 -10.483 1.00 0.00 C ATOM 0 H LEU A 59 -7.200 0.579 -7.771 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.289 -2.092 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.124 -1.600 -9.563 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.876 -1.580 -9.540 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.855 1.072 -8.975 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.831 1.526 -11.168 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.880 0.356 -10.223 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.911 -0.208 -11.559 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.278 1.652 -10.903 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.460 -0.077 -11.283 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.118 0.575 -9.763 1.00 0.00 H new ATOM 826 N PHE A 60 -4.347 0.168 -6.347 1.00 0.00 N ATOM 827 CA PHE A 60 -3.026 0.478 -5.813 1.00 0.00 C ATOM 828 C PHE A 60 -3.048 0.534 -4.288 1.00 0.00 C ATOM 829 O PHE A 60 -3.289 1.587 -3.699 1.00 0.00 O ATOM 830 CB PHE A 60 -2.524 1.808 -6.382 1.00 0.00 C ATOM 831 CG PHE A 60 -1.236 1.688 -7.146 1.00 0.00 C ATOM 832 CD1 PHE A 60 -1.014 0.614 -7.995 1.00 0.00 C ATOM 833 CD2 PHE A 60 -0.246 2.649 -7.015 1.00 0.00 C ATOM 834 CE1 PHE A 60 0.170 0.503 -8.699 1.00 0.00 C ATOM 835 CE2 PHE A 60 0.941 2.541 -7.716 1.00 0.00 C ATOM 836 CZ PHE A 60 1.148 1.467 -8.559 1.00 0.00 C ATOM 0 H PHE A 60 -5.083 0.810 -6.055 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.345 -0.318 -6.113 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.288 2.224 -7.038 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.387 2.515 -5.564 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.775 -0.144 -8.107 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.403 3.492 -6.358 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.330 -0.337 -9.358 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.705 3.296 -7.604 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.074 1.381 -9.108 1.00 0.00 H new ATOM 846 N TRP A 61 -2.790 -0.607 -3.659 1.00 0.00 N ATOM 847 CA TRP A 61 -2.772 -0.692 -2.203 1.00 0.00 C ATOM 848 C TRP A 61 -1.401 -0.307 -1.657 1.00 0.00 C ATOM 849 O TRP A 61 -0.392 -0.429 -2.350 1.00 0.00 O ATOM 850 CB TRP A 61 -3.131 -2.109 -1.748 1.00 0.00 C ATOM 851 CG TRP A 61 -4.542 -2.500 -2.062 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.358 -1.948 -3.008 1.00 0.00 C ATOM 853 CD2 TRP A 61 -5.307 -3.531 -1.426 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.578 -2.571 -2.999 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.574 -3.546 -2.038 1.00 0.00 C ATOM 856 CE3 TRP A 61 -5.042 -4.443 -0.399 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.575 -4.437 -1.656 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -6.036 -5.326 -0.022 1.00 0.00 C ATOM 859 CH2 TRP A 61 -7.288 -5.319 -0.649 1.00 0.00 C ATOM 0 H TRP A 61 -2.590 -1.487 -4.135 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.513 0.006 -1.813 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.452 -2.817 -2.223 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.972 -2.188 -0.673 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.082 -1.138 -3.667 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.363 -2.345 -3.610 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.079 -4.457 0.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.542 -4.432 -2.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.844 -6.034 0.770 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -8.043 -6.024 -0.332 1.00 0.00 H new ATOM 870 N GLY A 62 -1.371 0.155 -0.411 1.00 0.00 N ATOM 871 CA GLY A 62 -0.115 0.545 0.203 1.00 0.00 C ATOM 872 C GLY A 62 0.429 -0.529 1.123 1.00 0.00 C ATOM 873 O GLY A 62 -0.256 -0.966 2.048 1.00 0.00 O ATOM 0 H GLY A 62 -2.192 0.266 0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.617 0.759 -0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.259 1.466 0.768 1.00 0.00 H new ATOM 877 N GLY A 63 1.662 -0.959 0.871 1.00 0.00 N ATOM 878 CA GLY A 63 2.264 -1.989 1.697 1.00 0.00 C ATOM 879 C GLY A 63 3.779 -1.934 1.701 1.00 0.00 C ATOM 880 O GLY A 63 4.377 -0.961 1.245 1.00 0.00 O ATOM 0 H GLY A 63 2.252 -0.614 0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.899 -1.887 2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.942 -2.967 1.340 1.00 0.00 H new ATOM 884 N SER A 64 4.395 -2.990 2.220 1.00 0.00 N ATOM 885 CA SER A 64 5.849 -3.082 2.292 1.00 0.00 C ATOM 886 C SER A 64 6.266 -4.541 2.390 1.00 0.00 C ATOM 887 O SER A 64 5.775 -5.270 3.253 1.00 0.00 O ATOM 888 CB SER A 64 6.379 -2.299 3.497 1.00 0.00 C ATOM 889 OG SER A 64 5.338 -1.584 4.142 1.00 0.00 O ATOM 0 H SER A 64 3.906 -3.800 2.600 1.00 0.00 H new ATOM 0 HA SER A 64 6.274 -2.647 1.387 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.844 -2.986 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.153 -1.604 3.171 1.00 0.00 H new ATOM 0 HG SER A 64 5.703 -1.094 4.908 1.00 0.00 H new ATOM 895 N VAL A 65 7.161 -4.975 1.509 1.00 0.00 N ATOM 896 CA VAL A 65 7.607 -6.343 1.509 1.00 0.00 C ATOM 897 C VAL A 65 8.540 -6.605 2.666 1.00 0.00 C ATOM 898 O VAL A 65 9.320 -5.747 3.081 1.00 0.00 O ATOM 899 CB VAL A 65 8.324 -6.742 0.204 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.455 -7.671 -0.633 1.00 0.00 C ATOM 901 CG2 VAL A 65 8.755 -5.530 -0.611 1.00 0.00 C ATOM 0 H VAL A 65 7.586 -4.390 0.789 1.00 0.00 H new ATOM 0 HA VAL A 65 6.705 -6.948 1.602 1.00 0.00 H new ATOM 0 HB VAL A 65 9.229 -7.277 0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.984 -7.938 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.236 -8.575 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.523 -7.167 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.255 -5.862 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.878 -4.938 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.440 -4.920 -0.022 1.00 0.00 H new ATOM 911 N GLN A 66 8.437 -7.807 3.172 1.00 0.00 N ATOM 912 CA GLN A 66 9.255 -8.248 4.297 1.00 0.00 C ATOM 913 C GLN A 66 10.397 -9.142 3.828 1.00 0.00 C ATOM 914 O GLN A 66 10.304 -9.792 2.787 1.00 0.00 O ATOM 915 CB GLN A 66 8.398 -8.988 5.325 1.00 0.00 C ATOM 916 CG GLN A 66 7.826 -10.298 4.810 1.00 0.00 C ATOM 917 CD GLN A 66 8.085 -11.458 5.750 1.00 0.00 C ATOM 918 OE1 GLN A 66 7.697 -11.425 6.918 1.00 0.00 O ATOM 919 NE2 GLN A 66 8.746 -12.493 5.245 1.00 0.00 N ATOM 0 H GLN A 66 7.789 -8.514 2.824 1.00 0.00 H new ATOM 0 HA GLN A 66 9.684 -7.362 4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.000 -9.188 6.211 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.578 -8.340 5.636 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.752 -10.188 4.663 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.260 -10.521 3.835 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.049 -12.479 4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.951 -13.303 5.831 1.00 0.00 H new ATOM 928 N GLY A 67 11.475 -9.168 4.605 1.00 0.00 N ATOM 929 CA GLY A 67 12.624 -9.984 4.256 1.00 0.00 C ATOM 930 C GLY A 67 13.909 -9.462 4.868 1.00 0.00 C ATOM 931 O GLY A 67 14.794 -8.984 4.156 1.00 0.00 O ATOM 0 H GLY A 67 11.574 -8.638 5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.455 -11.008 4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.728 -10.016 3.171 1.00 0.00 H new ATOM 935 N ASP A 68 14.012 -9.548 6.190 1.00 0.00 N ATOM 936 CA ASP A 68 15.197 -9.079 6.898 1.00 0.00 C ATOM 937 C ASP A 68 16.051 -10.251 7.374 1.00 0.00 C ATOM 938 O ASP A 68 16.576 -10.239 8.487 1.00 0.00 O ATOM 939 CB ASP A 68 14.792 -8.209 8.091 1.00 0.00 C ATOM 940 CG ASP A 68 13.950 -8.967 9.099 1.00 0.00 C ATOM 941 OD1 ASP A 68 14.509 -9.825 9.813 1.00 0.00 O ATOM 942 OD2 ASP A 68 12.732 -8.701 9.175 1.00 0.00 O ATOM 0 H ASP A 68 13.288 -9.939 6.793 1.00 0.00 H new ATOM 0 HA ASP A 68 15.790 -8.482 6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.688 -7.830 8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.234 -7.343 7.733 1.00 0.00 H new ATOM 947 N TYR A 69 16.185 -11.262 6.522 1.00 0.00 N ATOM 948 CA TYR A 69 16.976 -12.441 6.856 1.00 0.00 C ATOM 949 C TYR A 69 18.367 -12.355 6.234 1.00 0.00 C ATOM 950 O TYR A 69 18.961 -13.373 5.876 1.00 0.00 O ATOM 951 CB TYR A 69 16.264 -13.709 6.379 1.00 0.00 C ATOM 952 CG TYR A 69 16.100 -14.755 7.461 1.00 0.00 C ATOM 953 CD1 TYR A 69 17.206 -15.358 8.045 1.00 0.00 C ATOM 954 CD2 TYR A 69 14.838 -15.137 7.898 1.00 0.00 C ATOM 955 CE1 TYR A 69 17.060 -16.314 9.033 1.00 0.00 C ATOM 956 CE2 TYR A 69 14.683 -16.091 8.885 1.00 0.00 C ATOM 957 CZ TYR A 69 15.797 -16.676 9.449 1.00 0.00 C ATOM 958 OH TYR A 69 15.647 -17.627 10.433 1.00 0.00 O ATOM 0 H TYR A 69 15.757 -11.289 5.597 1.00 0.00 H new ATOM 0 HA TYR A 69 17.086 -12.482 7.940 1.00 0.00 H new ATOM 0 HB2 TYR A 69 15.281 -13.440 5.993 1.00 0.00 H new ATOM 0 HB3 TYR A 69 16.825 -14.141 5.550 1.00 0.00 H new ATOM 0 HD1 TYR A 69 18.197 -15.075 7.722 1.00 0.00 H new ATOM 0 HD2 TYR A 69 13.963 -14.681 7.459 1.00 0.00 H new ATOM 0 HE1 TYR A 69 17.931 -16.774 9.476 1.00 0.00 H new ATOM 0 HE2 TYR A 69 13.695 -16.377 9.213 1.00 0.00 H new ATOM 0 HH TYR A 69 14.693 -17.766 10.611 1.00 0.00 H new ATOM 968 N TYR A 70 18.878 -11.136 6.109 1.00 0.00 N ATOM 969 CA TYR A 70 20.200 -10.916 5.530 1.00 0.00 C ATOM 970 C TYR A 70 20.753 -9.555 5.939 1.00 0.00 C ATOM 971 O TYR A 70 19.998 -8.631 6.241 1.00 0.00 O ATOM 972 CB TYR A 70 20.134 -11.017 4.006 1.00 0.00 C ATOM 973 CG TYR A 70 21.380 -11.604 3.382 1.00 0.00 C ATOM 974 CD1 TYR A 70 21.917 -12.798 3.849 1.00 0.00 C ATOM 975 CD2 TYR A 70 22.019 -10.966 2.327 1.00 0.00 C ATOM 976 CE1 TYR A 70 23.056 -13.338 3.283 1.00 0.00 C ATOM 977 CE2 TYR A 70 23.159 -11.500 1.756 1.00 0.00 C ATOM 978 CZ TYR A 70 23.672 -12.686 2.236 1.00 0.00 C ATOM 979 OH TYR A 70 24.807 -13.220 1.670 1.00 0.00 O ATOM 0 H TYR A 70 18.398 -10.284 6.400 1.00 0.00 H new ATOM 0 HA TYR A 70 20.870 -11.688 5.909 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.276 -11.629 3.728 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.964 -10.023 3.592 1.00 0.00 H new ATOM 0 HD1 TYR A 70 21.436 -13.312 4.668 1.00 0.00 H new ATOM 0 HD2 TYR A 70 21.619 -10.038 1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 70 23.462 -14.266 3.659 1.00 0.00 H new ATOM 0 HE2 TYR A 70 23.646 -10.990 0.938 1.00 0.00 H new ATOM 0 HH TYR A 70 25.115 -12.638 0.944 1.00 0.00 H new ATOM 989 N GLY A 71 22.077 -9.438 5.946 1.00 0.00 N ATOM 990 CA GLY A 71 22.709 -8.187 6.319 1.00 0.00 C ATOM 991 C GLY A 71 22.410 -7.070 5.338 1.00 0.00 C ATOM 992 O GLY A 71 23.171 -6.839 4.399 1.00 0.00 O ATOM 0 H GLY A 71 22.723 -10.188 5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 71 22.369 -7.894 7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 71 23.787 -8.333 6.381 1.00 0.00 H new ATOM 996 N ASP A 72 21.298 -6.375 5.557 1.00 0.00 N ATOM 997 CA ASP A 72 20.898 -5.274 4.687 1.00 0.00 C ATOM 998 C ASP A 72 19.601 -4.644 5.179 1.00 0.00 C ATOM 999 O ASP A 72 18.595 -4.625 4.470 1.00 0.00 O ATOM 1000 CB ASP A 72 20.732 -5.764 3.246 1.00 0.00 C ATOM 1001 CG ASP A 72 19.676 -6.844 3.120 1.00 0.00 C ATOM 1002 OD1 ASP A 72 19.732 -7.822 3.895 1.00 0.00 O ATOM 1003 OD2 ASP A 72 18.792 -6.712 2.248 1.00 0.00 O ATOM 0 H ASP A 72 20.657 -6.555 6.330 1.00 0.00 H new ATOM 0 HA ASP A 72 21.682 -4.518 4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 72 20.464 -4.922 2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 72 21.686 -6.148 2.884 1.00 0.00 H new ATOM 1008 N LEU A 73 19.637 -4.127 6.401 1.00 0.00 N ATOM 1009 CA LEU A 73 18.468 -3.492 6.998 1.00 0.00 C ATOM 1010 C LEU A 73 18.133 -2.187 6.284 1.00 0.00 C ATOM 1011 O LEU A 73 18.828 -1.183 6.446 1.00 0.00 O ATOM 1012 CB LEU A 73 18.712 -3.226 8.485 1.00 0.00 C ATOM 1013 CG LEU A 73 17.447 -3.098 9.334 1.00 0.00 C ATOM 1014 CD1 LEU A 73 17.706 -3.577 10.755 1.00 0.00 C ATOM 1015 CD2 LEU A 73 16.951 -1.660 9.338 1.00 0.00 C ATOM 0 H LEU A 73 20.464 -4.135 6.999 1.00 0.00 H new ATOM 0 HA LEU A 73 17.622 -4.170 6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 73 19.322 -4.034 8.888 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.293 -2.309 8.584 1.00 0.00 H new ATOM 0 HG LEU A 73 16.673 -3.728 8.895 1.00 0.00 H new ATOM 0 HD11 LEU A 73 16.794 -3.478 11.344 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.014 -4.622 10.736 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.495 -2.974 11.204 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.050 -1.588 9.947 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.722 -1.010 9.752 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.725 -1.350 8.318 1.00 0.00 H new ATOM 1027 N ALA A 74 17.061 -2.207 5.496 1.00 0.00 N ATOM 1028 CA ALA A 74 16.628 -1.028 4.757 1.00 0.00 C ATOM 1029 C ALA A 74 15.470 -1.363 3.822 1.00 0.00 C ATOM 1030 O ALA A 74 15.663 -1.543 2.620 1.00 0.00 O ATOM 1031 CB ALA A 74 17.786 -0.430 3.970 1.00 0.00 C ATOM 0 H ALA A 74 16.476 -3.030 5.354 1.00 0.00 H new ATOM 0 HA ALA A 74 16.281 -0.290 5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 74 17.441 0.449 3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 74 18.582 -0.142 4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 74 18.165 -1.168 3.263 1.00 0.00 H new ATOM 1037 N ALA A 75 14.268 -1.446 4.383 1.00 0.00 N ATOM 1038 CA ALA A 75 13.079 -1.760 3.600 1.00 0.00 C ATOM 1039 C ALA A 75 12.250 -0.508 3.335 1.00 0.00 C ATOM 1040 O ALA A 75 11.944 0.251 4.254 1.00 0.00 O ATOM 1041 CB ALA A 75 12.240 -2.810 4.312 1.00 0.00 C ATOM 0 H ALA A 75 14.092 -1.300 5.377 1.00 0.00 H new ATOM 0 HA ALA A 75 13.402 -2.160 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.356 -3.035 3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.829 -3.718 4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.934 -2.431 5.287 1.00 0.00 H new ATOM 1047 N ARG A 76 11.887 -0.301 2.073 1.00 0.00 N ATOM 1048 CA ARG A 76 11.091 0.859 1.687 1.00 0.00 C ATOM 1049 C ARG A 76 9.709 0.428 1.202 1.00 0.00 C ATOM 1050 O ARG A 76 9.584 -0.296 0.215 1.00 0.00 O ATOM 1051 CB ARG A 76 11.807 1.655 0.592 1.00 0.00 C ATOM 1052 CG ARG A 76 12.387 2.972 1.081 1.00 0.00 C ATOM 1053 CD ARG A 76 13.283 3.611 0.031 1.00 0.00 C ATOM 1054 NE ARG A 76 12.559 4.581 -0.789 1.00 0.00 N ATOM 1055 CZ ARG A 76 11.868 4.261 -1.882 1.00 0.00 C ATOM 1056 NH1 ARG A 76 11.795 3.000 -2.288 1.00 0.00 N ATOM 1057 NH2 ARG A 76 11.246 5.209 -2.571 1.00 0.00 N ATOM 0 H ARG A 76 12.131 -0.921 1.301 1.00 0.00 H new ATOM 0 HA ARG A 76 10.968 1.495 2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.610 1.046 0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.106 1.854 -0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.577 3.656 1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.958 2.803 1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.121 4.105 0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.701 2.835 -0.610 1.00 0.00 H new ATOM 0 HE ARG A 76 12.585 5.561 -0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.270 2.267 -1.762 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.264 2.764 -3.126 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.298 6.180 -2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.716 4.967 -3.408 1.00 0.00 H new ATOM 1071 N LEU A 77 8.675 0.877 1.906 1.00 0.00 N ATOM 1072 CA LEU A 77 7.302 0.537 1.549 1.00 0.00 C ATOM 1073 C LEU A 77 6.925 1.130 0.196 1.00 0.00 C ATOM 1074 O LEU A 77 7.516 2.114 -0.249 1.00 0.00 O ATOM 1075 CB LEU A 77 6.334 1.035 2.625 1.00 0.00 C ATOM 1076 CG LEU A 77 6.342 2.548 2.854 1.00 0.00 C ATOM 1077 CD1 LEU A 77 5.539 3.255 1.773 1.00 0.00 C ATOM 1078 CD2 LEU A 77 5.791 2.879 4.232 1.00 0.00 C ATOM 0 H LEU A 77 8.761 1.477 2.727 1.00 0.00 H new ATOM 0 HA LEU A 77 7.232 -0.549 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.324 0.730 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.574 0.539 3.566 1.00 0.00 H new ATOM 0 HG LEU A 77 7.372 2.900 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.556 4.330 1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.976 3.043 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.509 2.900 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.804 3.959 4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.767 2.514 4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.407 2.402 4.994 1.00 0.00 H new ATOM 1090 N GLY A 78 5.936 0.525 -0.453 1.00 0.00 N ATOM 1091 CA GLY A 78 5.492 1.005 -1.748 1.00 0.00 C ATOM 1092 C GLY A 78 3.997 0.848 -1.941 1.00 0.00 C ATOM 1093 O GLY A 78 3.263 0.603 -0.984 1.00 0.00 O ATOM 0 H GLY A 78 5.433 -0.291 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.761 2.056 -1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.016 0.461 -2.533 1.00 0.00 H new ATOM 1097 N TYR A 79 3.543 0.989 -3.182 1.00 0.00 N ATOM 1098 CA TYR A 79 2.125 0.860 -3.497 1.00 0.00 C ATOM 1099 C TYR A 79 1.912 -0.101 -4.662 1.00 0.00 C ATOM 1100 O TYR A 79 2.535 0.037 -5.715 1.00 0.00 O ATOM 1101 CB TYR A 79 1.529 2.228 -3.832 1.00 0.00 C ATOM 1102 CG TYR A 79 1.084 3.011 -2.617 1.00 0.00 C ATOM 1103 CD1 TYR A 79 1.999 3.735 -1.860 1.00 0.00 C ATOM 1104 CD2 TYR A 79 -0.248 3.027 -2.227 1.00 0.00 C ATOM 1105 CE1 TYR A 79 1.596 4.451 -0.750 1.00 0.00 C ATOM 1106 CE2 TYR A 79 -0.659 3.742 -1.118 1.00 0.00 C ATOM 1107 CZ TYR A 79 0.266 4.452 -0.383 1.00 0.00 C ATOM 1108 OH TYR A 79 -0.139 5.164 0.722 1.00 0.00 O ATOM 0 H TYR A 79 4.137 1.193 -3.986 1.00 0.00 H new ATOM 0 HA TYR A 79 1.619 0.457 -2.620 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.269 2.813 -4.379 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.676 2.090 -4.497 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.041 3.737 -2.145 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.976 2.471 -2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.319 5.008 -0.172 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.700 3.744 -0.829 1.00 0.00 H new ATOM 0 HH TYR A 79 0.446 5.941 0.843 1.00 0.00 H new ATOM 1118 N PHE A 80 1.027 -1.073 -4.468 1.00 0.00 N ATOM 1119 CA PHE A 80 0.734 -2.056 -5.504 1.00 0.00 C ATOM 1120 C PHE A 80 -0.622 -2.718 -5.265 1.00 0.00 C ATOM 1121 O PHE A 80 -1.123 -2.737 -4.141 1.00 0.00 O ATOM 1122 CB PHE A 80 1.832 -3.120 -5.550 1.00 0.00 C ATOM 1123 CG PHE A 80 2.186 -3.675 -4.200 1.00 0.00 C ATOM 1124 CD1 PHE A 80 1.469 -4.729 -3.660 1.00 0.00 C ATOM 1125 CD2 PHE A 80 3.238 -3.141 -3.472 1.00 0.00 C ATOM 1126 CE1 PHE A 80 1.793 -5.242 -2.418 1.00 0.00 C ATOM 1127 CE2 PHE A 80 3.566 -3.649 -2.229 1.00 0.00 C ATOM 1128 CZ PHE A 80 2.843 -4.701 -1.702 1.00 0.00 C ATOM 0 H PHE A 80 0.501 -1.201 -3.604 1.00 0.00 H new ATOM 0 HA PHE A 80 0.698 -1.536 -6.461 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.509 -3.936 -6.196 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.725 -2.689 -6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.647 -5.155 -4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.807 -2.319 -3.880 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.226 -6.065 -2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.387 -3.224 -1.671 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.098 -5.100 -0.731 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.234 -3.271 -6.327 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.538 -3.939 -6.229 1.00 0.00 C ATOM 1140 C PRO A 81 -2.512 -5.118 -5.265 1.00 0.00 C ATOM 1141 O PRO A 81 -1.445 -5.613 -4.901 1.00 0.00 O ATOM 1142 CB PRO A 81 -2.812 -4.424 -7.660 1.00 0.00 C ATOM 1143 CG PRO A 81 -1.485 -4.410 -8.338 1.00 0.00 C ATOM 1144 CD PRO A 81 -0.708 -3.294 -7.701 1.00 0.00 C ATOM 0 HA PRO A 81 -3.306 -3.268 -5.843 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.244 -5.425 -7.661 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.521 -3.770 -8.168 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.972 -5.364 -8.213 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.596 -4.246 -9.410 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.365 -3.486 -7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.871 -2.345 -8.212 1.00 0.00 H new ATOM 1152 N SER A 82 -3.694 -5.566 -4.854 1.00 0.00 N ATOM 1153 CA SER A 82 -3.808 -6.690 -3.932 1.00 0.00 C ATOM 1154 C SER A 82 -3.823 -8.013 -4.688 1.00 0.00 C ATOM 1155 O SER A 82 -3.271 -9.012 -4.226 1.00 0.00 O ATOM 1156 CB SER A 82 -5.077 -6.557 -3.088 1.00 0.00 C ATOM 1157 OG SER A 82 -4.914 -7.170 -1.821 1.00 0.00 O ATOM 0 H SER A 82 -4.587 -5.168 -5.145 1.00 0.00 H new ATOM 0 HA SER A 82 -2.939 -6.678 -3.274 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.321 -5.503 -2.957 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.916 -7.016 -3.612 1.00 0.00 H new ATOM 0 HG SER A 82 -4.877 -6.480 -1.126 1.00 0.00 H new ATOM 1163 N SER A 83 -4.462 -8.015 -5.855 1.00 0.00 N ATOM 1164 CA SER A 83 -4.554 -9.213 -6.679 1.00 0.00 C ATOM 1165 C SER A 83 -3.180 -9.836 -6.909 1.00 0.00 C ATOM 1166 O SER A 83 -3.064 -11.042 -7.129 1.00 0.00 O ATOM 1167 CB SER A 83 -5.207 -8.882 -8.022 1.00 0.00 C ATOM 1168 OG SER A 83 -5.989 -9.966 -8.492 1.00 0.00 O ATOM 0 H SER A 83 -4.925 -7.197 -6.251 1.00 0.00 H new ATOM 0 HA SER A 83 -5.171 -9.937 -6.147 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.834 -7.997 -7.916 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.437 -8.641 -8.755 1.00 0.00 H new ATOM 0 HG SER A 83 -6.396 -9.727 -9.351 1.00 0.00 H new ATOM 1174 N ILE A 84 -2.141 -9.008 -6.858 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.777 -9.482 -7.062 1.00 0.00 C ATOM 1176 C ILE A 84 -0.254 -10.228 -5.833 1.00 0.00 C ATOM 1177 O ILE A 84 0.742 -10.944 -5.911 1.00 0.00 O ATOM 1178 CB ILE A 84 0.177 -8.316 -7.395 1.00 0.00 C ATOM 1179 CG1 ILE A 84 1.548 -8.853 -7.813 1.00 0.00 C ATOM 1180 CG2 ILE A 84 0.310 -7.372 -6.207 1.00 0.00 C ATOM 1181 CD1 ILE A 84 1.503 -9.730 -9.045 1.00 0.00 C ATOM 0 H ILE A 84 -2.218 -8.007 -6.677 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.806 -10.171 -7.906 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.244 -7.754 -8.229 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.217 -8.013 -7.999 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.974 -9.422 -6.987 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.987 -6.557 -6.464 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.669 -6.964 -5.955 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.707 -7.918 -5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.509 -10.075 -9.283 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.860 -10.590 -8.856 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.107 -9.158 -9.884 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.932 -10.054 -4.700 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.534 -10.711 -3.459 1.00 0.00 C ATOM 1195 C VAL A 85 -1.700 -11.488 -2.853 1.00 0.00 C ATOM 1196 O VAL A 85 -2.830 -11.408 -3.335 1.00 0.00 O ATOM 1197 CB VAL A 85 -0.022 -9.690 -2.425 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.259 -9.030 -2.913 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -1.090 -8.648 -2.130 1.00 0.00 C ATOM 0 H VAL A 85 -1.759 -9.463 -4.617 1.00 0.00 H new ATOM 0 HA VAL A 85 0.272 -11.402 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 85 0.201 -10.220 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.605 -8.312 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.024 -9.791 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.067 -8.514 -3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.711 -7.935 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.348 -8.121 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.978 -9.139 -1.732 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.418 -12.237 -1.791 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.439 -13.026 -1.111 1.00 0.00 C ATOM 1211 C ARG A 86 -2.332 -12.850 0.399 1.00 0.00 C ATOM 1212 O ARG A 86 -1.414 -13.370 1.032 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.301 -14.506 -1.473 1.00 0.00 C ATOM 1214 CG ARG A 86 -3.633 -15.222 -1.620 1.00 0.00 C ATOM 1215 CD ARG A 86 -3.447 -16.726 -1.731 1.00 0.00 C ATOM 1216 NE ARG A 86 -4.704 -17.415 -2.016 1.00 0.00 N ATOM 1217 CZ ARG A 86 -5.624 -17.691 -1.095 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -5.432 -17.339 0.171 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -6.738 -18.320 -1.439 1.00 0.00 N ATOM 0 H ARG A 86 -0.487 -12.314 -1.382 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.417 -12.673 -1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.746 -14.593 -2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.712 -15.006 -0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.266 -14.995 -0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.151 -14.852 -2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.727 -16.945 -2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.027 -17.109 -0.801 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.887 -17.701 -2.978 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.576 -16.855 0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.140 -17.553 0.873 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.891 -18.593 -2.410 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.443 -18.532 -0.733 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.272 -12.105 0.970 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.277 -11.854 2.405 1.00 0.00 C ATOM 1235 C GLU A 87 -3.530 -13.136 3.190 1.00 0.00 C ATOM 1236 O GLU A 87 -4.603 -13.732 3.099 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.339 -10.811 2.758 1.00 0.00 C ATOM 1238 CG GLU A 87 -3.896 -9.381 2.500 1.00 0.00 C ATOM 1239 CD GLU A 87 -4.826 -8.360 3.128 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -5.552 -8.725 4.077 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -4.826 -7.197 2.672 1.00 0.00 O ATOM 0 H GLU A 87 -4.039 -11.665 0.461 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.293 -11.473 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.241 -11.013 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.604 -10.916 3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.889 -9.240 2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.846 -9.208 1.425 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.535 -13.549 3.967 1.00 0.00 N ATOM 1249 CA ASP A 88 -2.647 -14.755 4.776 1.00 0.00 C ATOM 1250 C ASP A 88 -2.941 -14.399 6.224 1.00 0.00 C ATOM 1251 O ASP A 88 -3.874 -14.923 6.832 1.00 0.00 O ATOM 1252 CB ASP A 88 -1.362 -15.579 4.688 1.00 0.00 C ATOM 1253 CG ASP A 88 -1.630 -17.071 4.697 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -1.975 -17.606 5.771 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -1.494 -17.705 3.629 1.00 0.00 O ATOM 0 H ASP A 88 -1.641 -13.065 4.053 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.473 -15.352 4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.826 -15.315 3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.712 -15.324 5.525 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.132 -13.507 6.765 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.274 -13.063 8.134 1.00 0.00 C ATOM 1262 C GLN A 89 -2.905 -11.678 8.180 1.00 0.00 C ATOM 1263 O GLN A 89 -2.716 -10.873 7.267 1.00 0.00 O ATOM 1264 CB GLN A 89 -0.899 -13.034 8.777 1.00 0.00 C ATOM 1265 CG GLN A 89 -0.926 -12.990 10.296 1.00 0.00 C ATOM 1266 CD GLN A 89 -1.126 -14.360 10.914 1.00 0.00 C ATOM 1267 OE1 GLN A 89 -0.456 -15.324 10.547 1.00 0.00 O ATOM 1268 NE2 GLN A 89 -2.053 -14.451 11.861 1.00 0.00 N ATOM 0 H GLN A 89 -1.358 -13.071 6.264 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.924 -13.749 8.678 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.342 -13.916 8.459 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.355 -12.164 8.408 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.009 -12.564 10.660 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.727 -12.327 10.623 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.586 -13.625 12.134 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.232 -15.347 12.315 1.00 0.00 H new ATOM 1277 N THR A 90 -3.652 -11.398 9.240 1.00 0.00 N ATOM 1278 CA THR A 90 -4.298 -10.102 9.379 1.00 0.00 C ATOM 1279 C THR A 90 -4.194 -9.573 10.800 1.00 0.00 C ATOM 1280 O THR A 90 -4.152 -10.337 11.764 1.00 0.00 O ATOM 1281 CB THR A 90 -5.763 -10.175 8.963 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.389 -11.320 9.514 1.00 0.00 O ATOM 1283 CG2 THR A 90 -5.958 -10.216 7.464 1.00 0.00 C ATOM 0 H THR A 90 -3.824 -12.045 10.009 1.00 0.00 H new ATOM 0 HA THR A 90 -3.774 -9.412 8.717 1.00 0.00 H new ATOM 0 HB THR A 90 -6.216 -9.260 9.346 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.328 -11.345 9.235 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.023 -10.267 7.237 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.535 -9.316 7.017 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.457 -11.094 7.056 1.00 0.00 H new ATOM 1291 N LEU A 91 -4.152 -8.253 10.913 1.00 0.00 N ATOM 1292 CA LEU A 91 -4.053 -7.591 12.204 1.00 0.00 C ATOM 1293 C LEU A 91 -4.617 -6.175 12.124 1.00 0.00 C ATOM 1294 O LEU A 91 -4.223 -5.296 12.890 1.00 0.00 O ATOM 1295 CB LEU A 91 -2.593 -7.548 12.657 1.00 0.00 C ATOM 1296 CG LEU A 91 -2.385 -7.561 14.172 1.00 0.00 C ATOM 1297 CD1 LEU A 91 -1.104 -8.300 14.529 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -2.353 -6.141 14.717 1.00 0.00 C ATOM 0 H LEU A 91 -4.185 -7.615 10.118 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.637 -8.156 12.931 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.070 -8.402 12.226 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.128 -6.650 12.249 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.223 -8.087 14.630 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.973 -8.299 15.611 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.165 -9.328 14.172 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.255 -7.803 14.060 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.204 -6.169 15.796 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.535 -5.591 14.252 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.297 -5.644 14.494 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.536 -5.964 11.185 1.00 0.00 N ATOM 1311 CA LYS A 92 -6.155 -4.656 10.989 1.00 0.00 C ATOM 1312 C LYS A 92 -7.001 -4.252 12.196 1.00 0.00 C ATOM 1313 O LYS A 92 -8.069 -4.818 12.429 1.00 0.00 O ATOM 1314 CB LYS A 92 -7.023 -4.674 9.731 1.00 0.00 C ATOM 1315 CG LYS A 92 -7.493 -3.297 9.293 1.00 0.00 C ATOM 1316 CD LYS A 92 -8.517 -3.383 8.172 1.00 0.00 C ATOM 1317 CE LYS A 92 -7.963 -4.102 6.951 1.00 0.00 C ATOM 1318 NZ LYS A 92 -9.049 -4.624 6.075 1.00 0.00 N ATOM 0 H LYS A 92 -5.869 -6.685 10.546 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.358 -3.921 10.874 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.459 -5.131 8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.893 -5.305 9.910 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.928 -2.773 10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.638 -2.709 8.960 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.404 -3.906 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.832 -2.378 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.334 -3.418 6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.327 -4.927 7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.631 -5.107 5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.635 -5.296 6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.641 -3.834 5.747 1.00 0.00 H new ATOM 1332 N PRO A 93 -6.538 -3.261 12.982 1.00 0.00 N ATOM 1333 CA PRO A 93 -7.251 -2.785 14.158 1.00 0.00 C ATOM 1334 C PRO A 93 -8.165 -1.597 13.853 1.00 0.00 C ATOM 1335 O PRO A 93 -9.006 -1.226 14.672 1.00 0.00 O ATOM 1336 CB PRO A 93 -6.108 -2.359 15.073 1.00 0.00 C ATOM 1337 CG PRO A 93 -5.023 -1.894 14.150 1.00 0.00 C ATOM 1338 CD PRO A 93 -5.279 -2.523 12.796 1.00 0.00 C ATOM 0 HA PRO A 93 -7.915 -3.539 14.580 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.420 -1.562 15.748 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.769 -3.189 15.693 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.024 -0.807 14.074 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.044 -2.187 14.530 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.370 -1.768 12.015 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.466 -3.187 12.504 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.995 -1.001 12.674 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.812 0.139 12.296 1.00 0.00 C ATOM 1348 C GLY A 94 -9.050 0.222 10.800 1.00 0.00 C ATOM 1349 O GLY A 94 -8.432 -0.504 10.023 1.00 0.00 O ATOM 0 H GLY A 94 -7.308 -1.287 11.976 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.772 0.078 12.809 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.327 1.055 12.634 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.947 1.117 10.398 1.00 0.00 N ATOM 1354 CA LYS A 95 -10.264 1.314 9.001 1.00 0.00 C ATOM 1355 C LYS A 95 -10.732 2.743 8.764 1.00 0.00 C ATOM 1356 O LYS A 95 -11.804 2.980 8.208 1.00 0.00 O ATOM 1357 CB LYS A 95 -11.322 0.316 8.539 1.00 0.00 C ATOM 1358 CG LYS A 95 -10.730 -0.860 7.793 1.00 0.00 C ATOM 1359 CD LYS A 95 -11.678 -1.380 6.724 1.00 0.00 C ATOM 1360 CE LYS A 95 -12.891 -2.059 7.339 1.00 0.00 C ATOM 1361 NZ LYS A 95 -13.760 -2.687 6.305 1.00 0.00 N ATOM 0 H LYS A 95 -10.469 1.720 11.034 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.361 1.142 8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.874 -0.049 9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -12.039 0.825 7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -9.789 -0.562 7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.501 -1.660 8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.004 -0.554 6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.152 -2.085 6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.561 -2.820 8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.469 -1.327 7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.576 -3.139 6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.096 -1.958 5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.216 -3.403 5.783 1.00 0.00 H new ATOM 1375 N VAL A 96 -9.924 3.686 9.208 1.00 0.00 N ATOM 1376 CA VAL A 96 -10.246 5.100 9.067 1.00 0.00 C ATOM 1377 C VAL A 96 -9.788 5.638 7.722 1.00 0.00 C ATOM 1378 O VAL A 96 -8.676 5.364 7.275 1.00 0.00 O ATOM 1379 CB VAL A 96 -9.608 5.948 10.183 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -10.304 7.296 10.289 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -9.650 5.212 11.514 1.00 0.00 C ATOM 0 H VAL A 96 -9.035 3.501 9.672 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.331 5.176 9.141 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.562 6.120 9.928 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.841 7.883 11.082 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.212 7.829 9.342 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.359 7.144 10.518 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.194 5.831 12.287 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.686 5.003 11.781 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.101 4.274 11.429 1.00 0.00 H new ATOM 1391 N ASP A 97 -10.658 6.409 7.087 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.360 6.995 5.790 1.00 0.00 C ATOM 1393 C ASP A 97 -9.479 8.227 5.941 1.00 0.00 C ATOM 1394 O ASP A 97 -9.693 9.059 6.824 1.00 0.00 O ATOM 1395 CB ASP A 97 -11.655 7.365 5.064 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.418 7.725 3.610 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -10.611 7.036 2.952 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -12.039 8.697 3.131 1.00 0.00 O ATOM 0 H ASP A 97 -11.581 6.644 7.452 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.820 6.254 5.200 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.352 6.529 5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.126 8.207 5.572 1.00 0.00 H new ATOM 1403 N VAL A 98 -8.486 8.332 5.071 1.00 0.00 N ATOM 1404 CA VAL A 98 -7.558 9.454 5.090 1.00 0.00 C ATOM 1405 C VAL A 98 -7.502 10.135 3.727 1.00 0.00 C ATOM 1406 O VAL A 98 -6.819 9.668 2.816 1.00 0.00 O ATOM 1407 CB VAL A 98 -6.143 8.996 5.488 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -5.211 10.189 5.633 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -6.189 8.187 6.775 1.00 0.00 C ATOM 0 H VAL A 98 -8.301 7.648 4.337 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.922 10.165 5.832 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.753 8.358 4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.217 9.842 5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.154 10.723 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.594 10.858 6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.181 7.871 7.042 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.601 8.801 7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.818 7.309 6.630 1.00 0.00 H new ATOM 1419 N LYS A 99 -8.229 11.239 3.593 1.00 0.00 N ATOM 1420 CA LYS A 99 -8.265 11.982 2.339 1.00 0.00 C ATOM 1421 C LYS A 99 -6.876 12.484 1.960 1.00 0.00 C ATOM 1422 O LYS A 99 -6.197 13.126 2.761 1.00 0.00 O ATOM 1423 CB LYS A 99 -9.234 13.161 2.448 1.00 0.00 C ATOM 1424 CG LYS A 99 -8.927 14.097 3.605 1.00 0.00 C ATOM 1425 CD LYS A 99 -9.782 15.353 3.546 1.00 0.00 C ATOM 1426 CE LYS A 99 -10.195 15.811 4.935 1.00 0.00 C ATOM 1427 NZ LYS A 99 -11.136 14.855 5.579 1.00 0.00 N ATOM 0 H LYS A 99 -8.801 11.639 4.337 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.611 11.306 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.210 13.728 1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.248 12.778 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.102 13.580 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.872 14.372 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.227 16.149 3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.671 15.161 2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.308 15.923 5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.664 16.793 4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.710 15.356 6.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.760 14.442 4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.597 14.097 6.045 1.00 0.00 H new ATOM 1441 N THR A 100 -6.461 12.187 0.732 1.00 0.00 N ATOM 1442 CA THR A 100 -5.154 12.607 0.243 1.00 0.00 C ATOM 1443 C THR A 100 -5.275 13.851 -0.631 1.00 0.00 C ATOM 1444 O THR A 100 -5.790 13.789 -1.747 1.00 0.00 O ATOM 1445 CB THR A 100 -4.497 11.475 -0.547 1.00 0.00 C ATOM 1446 OG1 THR A 100 -4.369 10.314 0.252 1.00 0.00 O ATOM 1447 CG2 THR A 100 -3.119 11.827 -1.067 1.00 0.00 C ATOM 0 H THR A 100 -7.012 11.656 0.058 1.00 0.00 H new ATOM 0 HA THR A 100 -4.531 12.850 1.103 1.00 0.00 H new ATOM 0 HB THR A 100 -5.155 11.299 -1.398 1.00 0.00 H new ATOM 0 HG1 THR A 100 -3.948 9.601 -0.272 1.00 0.00 H new ATOM 0 HG21 THR A 100 -2.711 10.980 -1.618 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.189 12.690 -1.729 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.464 12.065 -0.229 1.00 0.00 H new ATOM 1455 N ASP A 101 -4.797 14.979 -0.116 1.00 0.00 N ATOM 1456 CA ASP A 101 -4.851 16.239 -0.850 1.00 0.00 C ATOM 1457 C ASP A 101 -4.041 17.316 -0.138 1.00 0.00 C ATOM 1458 O ASP A 101 -4.435 18.482 -0.100 1.00 0.00 O ATOM 1459 CB ASP A 101 -6.302 16.696 -1.011 1.00 0.00 C ATOM 1460 CG ASP A 101 -6.429 17.913 -1.907 1.00 0.00 C ATOM 1461 OD1 ASP A 101 -5.626 18.037 -2.855 1.00 0.00 O ATOM 1462 OD2 ASP A 101 -7.329 18.742 -1.660 1.00 0.00 O ATOM 0 H ASP A 101 -4.368 15.047 0.807 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.417 16.077 -1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.893 15.880 -1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.719 16.925 -0.030 1.00 0.00 H new ATOM 1467 N LYS A 102 -2.904 16.919 0.426 1.00 0.00 N ATOM 1468 CA LYS A 102 -2.036 17.849 1.137 1.00 0.00 C ATOM 1469 C LYS A 102 -0.568 17.546 0.855 1.00 0.00 C ATOM 1470 O LYS A 102 0.115 18.312 0.175 1.00 0.00 O ATOM 1471 CB LYS A 102 -2.303 17.780 2.642 1.00 0.00 C ATOM 1472 CG LYS A 102 -3.622 18.414 3.055 1.00 0.00 C ATOM 1473 CD LYS A 102 -4.284 17.640 4.183 1.00 0.00 C ATOM 1474 CE LYS A 102 -5.720 18.091 4.400 1.00 0.00 C ATOM 1475 NZ LYS A 102 -6.477 17.137 5.256 1.00 0.00 N ATOM 0 H LYS A 102 -2.563 15.958 0.404 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.256 18.856 0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.297 16.736 2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.489 18.277 3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.449 19.443 3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.293 18.453 2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.267 16.575 3.954 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.715 17.777 5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.725 19.077 4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.219 18.189 3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.451 17.480 5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.494 16.202 4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.015 17.062 6.185 1.00 0.00 H new ATOM 1489 N TRP A 103 -0.088 16.424 1.385 1.00 0.00 N ATOM 1490 CA TRP A 103 1.299 16.017 1.194 1.00 0.00 C ATOM 1491 C TRP A 103 1.678 15.970 -0.282 1.00 0.00 C ATOM 1492 O TRP A 103 2.853 16.071 -0.635 1.00 0.00 O ATOM 1493 CB TRP A 103 1.533 14.666 1.842 1.00 0.00 C ATOM 1494 CG TRP A 103 2.084 14.819 3.203 1.00 0.00 C ATOM 1495 CD1 TRP A 103 1.485 14.480 4.370 1.00 0.00 C ATOM 1496 CD2 TRP A 103 3.344 15.395 3.548 1.00 0.00 C ATOM 1497 NE1 TRP A 103 2.301 14.797 5.411 1.00 0.00 N ATOM 1498 CE2 TRP A 103 3.439 15.351 4.939 1.00 0.00 C ATOM 1499 CE3 TRP A 103 4.404 15.935 2.818 1.00 0.00 C ATOM 1500 CZ2 TRP A 103 4.530 15.817 5.633 1.00 0.00 C ATOM 1501 CZ3 TRP A 103 5.508 16.407 3.507 1.00 0.00 C ATOM 1502 CH2 TRP A 103 5.566 16.344 4.908 1.00 0.00 C ATOM 0 H TRP A 103 -0.641 15.780 1.951 1.00 0.00 H new ATOM 0 HA TRP A 103 1.936 16.763 1.670 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.595 14.113 1.886 1.00 0.00 H new ATOM 0 HB3 TRP A 103 2.220 14.080 1.232 1.00 0.00 H new ATOM 0 HD1 TRP A 103 0.509 14.027 4.460 1.00 0.00 H new ATOM 0 HE1 TRP A 103 2.087 14.641 6.396 1.00 0.00 H new ATOM 0 HE3 TRP A 103 4.364 15.984 1.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 4.569 15.769 6.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 6.337 16.830 2.959 1.00 0.00 H new ATOM 0 HH2 TRP A 103 6.440 16.716 5.422 1.00 0.00 H new ATOM 1513 N ASP A 104 0.677 15.814 -1.139 1.00 0.00 N ATOM 1514 CA ASP A 104 0.901 15.751 -2.578 1.00 0.00 C ATOM 1515 C ASP A 104 1.778 14.557 -2.941 1.00 0.00 C ATOM 1516 O ASP A 104 2.978 14.703 -3.175 1.00 0.00 O ATOM 1517 CB ASP A 104 1.552 17.046 -3.072 1.00 0.00 C ATOM 1518 CG ASP A 104 0.533 18.128 -3.366 1.00 0.00 C ATOM 1519 OD1 ASP A 104 -0.452 18.240 -2.606 1.00 0.00 O ATOM 1520 OD2 ASP A 104 0.719 18.866 -4.357 1.00 0.00 O ATOM 0 H ASP A 104 -0.301 15.729 -0.862 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.066 15.630 -3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 104 2.254 17.406 -2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 104 2.129 16.839 -3.973 1.00 0.00 H new ATOM 1525 N PHE A 105 1.170 13.376 -2.986 1.00 0.00 N ATOM 1526 CA PHE A 105 1.895 12.156 -3.320 1.00 0.00 C ATOM 1527 C PHE A 105 1.921 11.933 -4.830 1.00 0.00 C ATOM 1528 O PHE A 105 0.967 11.408 -5.405 1.00 0.00 O ATOM 1529 CB PHE A 105 1.256 10.951 -2.627 1.00 0.00 C ATOM 1530 CG PHE A 105 2.244 9.890 -2.235 1.00 0.00 C ATOM 1531 CD1 PHE A 105 3.203 10.142 -1.267 1.00 0.00 C ATOM 1532 CD2 PHE A 105 2.213 8.641 -2.833 1.00 0.00 C ATOM 1533 CE1 PHE A 105 4.113 9.168 -0.904 1.00 0.00 C ATOM 1534 CE2 PHE A 105 3.120 7.662 -2.474 1.00 0.00 C ATOM 1535 CZ PHE A 105 4.072 7.926 -1.509 1.00 0.00 C ATOM 0 H PHE A 105 0.177 13.238 -2.795 1.00 0.00 H new ATOM 0 HA PHE A 105 2.921 12.267 -2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 105 0.729 11.292 -1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 105 0.510 10.514 -3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 105 3.239 11.111 -0.791 1.00 0.00 H new ATOM 0 HD2 PHE A 105 1.471 8.430 -3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.856 9.377 -0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.084 6.692 -2.947 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.783 7.163 -1.228 1.00 0.00 H new ATOM 1545 N TYR A 106 3.017 12.336 -5.464 1.00 0.00 N ATOM 1546 CA TYR A 106 3.166 12.181 -6.906 1.00 0.00 C ATOM 1547 C TYR A 106 4.601 12.464 -7.338 1.00 0.00 C ATOM 1548 O TYR A 106 5.272 13.327 -6.773 1.00 0.00 O ATOM 1549 CB TYR A 106 2.205 13.115 -7.643 1.00 0.00 C ATOM 1550 CG TYR A 106 1.868 12.656 -9.043 1.00 0.00 C ATOM 1551 CD1 TYR A 106 1.373 11.379 -9.275 1.00 0.00 C ATOM 1552 CD2 TYR A 106 2.042 13.499 -10.133 1.00 0.00 C ATOM 1553 CE1 TYR A 106 1.063 10.954 -10.554 1.00 0.00 C ATOM 1554 CE2 TYR A 106 1.734 13.083 -11.414 1.00 0.00 C ATOM 1555 CZ TYR A 106 1.246 11.810 -11.620 1.00 0.00 C ATOM 1556 OH TYR A 106 0.939 11.392 -12.893 1.00 0.00 O ATOM 0 H TYR A 106 3.815 12.772 -5.002 1.00 0.00 H new ATOM 0 HA TYR A 106 2.925 11.149 -7.162 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.284 13.203 -7.067 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.646 14.111 -7.693 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.228 10.707 -8.442 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.425 14.497 -9.977 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.680 9.958 -10.717 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.875 13.752 -12.250 1.00 0.00 H new ATOM 0 HH TYR A 106 1.124 12.115 -13.528 1.00 0.00 H new ATOM 1566 N CYS A 107 5.067 11.731 -8.344 1.00 0.00 N ATOM 1567 CA CYS A 107 6.422 11.902 -8.852 1.00 0.00 C ATOM 1568 C CYS A 107 6.628 13.318 -9.385 1.00 0.00 C ATOM 1569 O CYS A 107 6.033 13.706 -10.390 1.00 0.00 O ATOM 1570 CB CYS A 107 6.709 10.883 -9.957 1.00 0.00 C ATOM 1571 SG CYS A 107 7.236 9.250 -9.343 1.00 0.00 S ATOM 0 H CYS A 107 4.525 11.012 -8.824 1.00 0.00 H new ATOM 0 HA CYS A 107 7.115 11.738 -8.027 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.812 10.759 -10.564 1.00 0.00 H new ATOM 0 HB3 CYS A 107 7.485 11.281 -10.611 1.00 0.00 H new ATOM 1576 N GLN A 108 7.477 14.083 -8.705 1.00 0.00 N ATOM 1577 CA GLN A 108 7.760 15.454 -9.110 1.00 0.00 C ATOM 1578 C GLN A 108 9.215 15.817 -8.824 1.00 0.00 C ATOM 1579 O GLN A 108 10.023 15.812 -9.775 1.00 0.00 O ATOM 1580 CB GLN A 108 6.830 16.427 -8.383 1.00 0.00 C ATOM 1581 CG GLN A 108 5.456 16.548 -9.023 1.00 0.00 C ATOM 1582 CD GLN A 108 5.332 17.774 -9.907 1.00 0.00 C ATOM 1583 OE1 GLN A 108 4.540 18.675 -9.629 1.00 0.00 O ATOM 1584 NE2 GLN A 108 6.115 17.814 -10.979 1.00 0.00 N ATOM 1585 OXT GLN A 108 9.532 16.102 -7.650 1.00 0.00 O ATOM 0 H GLN A 108 7.980 13.776 -7.872 1.00 0.00 H new ATOM 0 HA GLN A 108 7.588 15.530 -10.184 1.00 0.00 H new ATOM 0 HB2 GLN A 108 6.713 16.101 -7.349 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.297 17.411 -8.356 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.255 15.655 -9.615 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.697 16.590 -8.241 1.00 0.00 H new ATOM 0 HE21 GLN A 108 6.757 17.045 -11.171 1.00 0.00 H new ATOM 0 HE22 GLN A 108 6.075 18.614 -11.611 1.00 0.00 H new TER 1594 GLN A 108