USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 611 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 THR OG1 : rot 180:sc= -0.4 USER MOD Set 1.2: A 14 GLN : amide:sc= -1.44! C(o=-1.8!,f=-4.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0161 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= -0.0553 (180deg=-0.432) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.16) USER MOD Single : A 25 CYS SG : rot 35:sc= 0.447 USER MOD Single : A 26 GLN : amide:sc= -0.795 X(o=-0.8,f=-1) USER MOD Single : A 33 TYR OH : rot 125:sc= 0.00319 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= -0.154 (180deg=-0.391) USER MOD Single : A 38 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.2!) USER MOD Single : A 40 THR OG1 : rot -77:sc= 1.03 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 151:sc= -0.194 (180deg=-0.692) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -1.91 F(o=-3.3,f=-1.9) USER MOD Single : A 62 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.51) USER MOD Single : A 64 LYS NZ :NH3+ -142:sc= -0.957 (180deg=-2.57!) USER MOD Single : A 69 ASN : amide:sc=-0.00951 X(o=-0.0095,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.520 -15.421 13.876 1.00 0.00 N ATOM 2 CA GLY A 1 12.869 -14.309 13.012 1.00 0.00 C ATOM 3 C GLY A 1 13.900 -13.391 13.636 1.00 0.00 C ATOM 4 O GLY A 1 13.690 -12.860 14.727 1.00 0.00 O ATOM 0 H1 GLY A 1 11.812 -16.019 13.404 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.371 -15.985 14.077 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.127 -15.058 14.768 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.254 -14.694 12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.971 -13.737 12.781 1.00 0.00 H new ATOM 8 N SER A 2 15.020 -13.204 12.945 1.00 0.00 N ATOM 9 CA SER A 2 16.091 -12.348 13.441 1.00 0.00 C ATOM 10 C SER A 2 16.167 -11.053 12.639 1.00 0.00 C ATOM 11 O SER A 2 16.248 -11.074 11.410 1.00 0.00 O ATOM 12 CB SER A 2 17.432 -13.082 13.375 1.00 0.00 C ATOM 13 OG SER A 2 17.949 -13.081 12.055 1.00 0.00 O ATOM 0 H SER A 2 15.209 -13.634 12.040 1.00 0.00 H new ATOM 0 HA SER A 2 15.872 -12.099 14.479 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.145 -12.606 14.048 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.306 -14.109 13.719 1.00 0.00 H new ATOM 0 HG SER A 2 18.807 -13.554 12.039 1.00 0.00 H new ATOM 19 N SER A 3 16.141 -9.925 13.342 1.00 0.00 N ATOM 20 CA SER A 3 16.203 -8.619 12.697 1.00 0.00 C ATOM 21 C SER A 3 17.445 -8.506 11.818 1.00 0.00 C ATOM 22 O SER A 3 18.539 -8.902 12.217 1.00 0.00 O ATOM 23 CB SER A 3 16.204 -7.507 13.747 1.00 0.00 C ATOM 24 OG SER A 3 14.967 -7.454 14.436 1.00 0.00 O ATOM 0 H SER A 3 16.077 -9.890 14.359 1.00 0.00 H new ATOM 0 HA SER A 3 15.321 -8.511 12.066 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.013 -7.675 14.458 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.397 -6.548 13.266 1.00 0.00 H new ATOM 0 HG SER A 3 14.994 -6.736 15.103 1.00 0.00 H new ATOM 30 N GLY A 4 17.266 -7.963 10.618 1.00 0.00 N ATOM 31 CA GLY A 4 18.379 -7.807 9.700 1.00 0.00 C ATOM 32 C GLY A 4 18.161 -8.544 8.393 1.00 0.00 C ATOM 33 O GLY A 4 19.007 -9.331 7.968 1.00 0.00 O ATOM 0 H GLY A 4 16.370 -7.628 10.265 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.531 -6.747 9.495 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.290 -8.174 10.173 1.00 0.00 H new ATOM 37 N SER A 5 17.023 -8.290 7.755 1.00 0.00 N ATOM 38 CA SER A 5 16.694 -8.939 6.492 1.00 0.00 C ATOM 39 C SER A 5 17.547 -8.382 5.356 1.00 0.00 C ATOM 40 O SER A 5 17.974 -7.228 5.394 1.00 0.00 O ATOM 41 CB SER A 5 15.210 -8.751 6.169 1.00 0.00 C ATOM 42 OG SER A 5 14.402 -9.576 6.990 1.00 0.00 O ATOM 0 H SER A 5 16.314 -7.639 8.092 1.00 0.00 H new ATOM 0 HA SER A 5 16.905 -10.004 6.594 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.933 -7.707 6.312 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.030 -8.988 5.120 1.00 0.00 H new ATOM 0 HG SER A 5 13.458 -9.437 6.766 1.00 0.00 H new ATOM 48 N SER A 6 17.792 -9.212 4.347 1.00 0.00 N ATOM 49 CA SER A 6 18.597 -8.805 3.201 1.00 0.00 C ATOM 50 C SER A 6 18.048 -9.405 1.910 1.00 0.00 C ATOM 51 O SER A 6 17.500 -10.506 1.908 1.00 0.00 O ATOM 52 CB SER A 6 20.053 -9.233 3.397 1.00 0.00 C ATOM 53 OG SER A 6 20.625 -8.596 4.526 1.00 0.00 O ATOM 0 H SER A 6 17.445 -10.170 4.300 1.00 0.00 H new ATOM 0 HA SER A 6 18.552 -7.719 3.124 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.104 -10.315 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.630 -8.987 2.506 1.00 0.00 H new ATOM 0 HG SER A 6 21.555 -8.888 4.630 1.00 0.00 H new ATOM 59 N GLY A 7 18.199 -8.670 0.812 1.00 0.00 N ATOM 60 CA GLY A 7 17.714 -9.144 -0.470 1.00 0.00 C ATOM 61 C GLY A 7 18.082 -8.215 -1.609 1.00 0.00 C ATOM 62 O GLY A 7 19.136 -7.579 -1.587 1.00 0.00 O ATOM 0 H GLY A 7 18.649 -7.755 0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.124 -10.135 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.630 -9.250 -0.428 1.00 0.00 H new ATOM 66 N LYS A 8 17.212 -8.135 -2.611 1.00 0.00 N ATOM 67 CA LYS A 8 17.450 -7.277 -3.765 1.00 0.00 C ATOM 68 C LYS A 8 16.522 -6.067 -3.744 1.00 0.00 C ATOM 69 O LYS A 8 15.299 -6.210 -3.765 1.00 0.00 O ATOM 70 CB LYS A 8 17.250 -8.065 -5.062 1.00 0.00 C ATOM 71 CG LYS A 8 18.349 -9.077 -5.335 1.00 0.00 C ATOM 72 CD LYS A 8 18.239 -10.281 -4.415 1.00 0.00 C ATOM 73 CE LYS A 8 18.895 -11.510 -5.025 1.00 0.00 C ATOM 74 NZ LYS A 8 18.153 -11.999 -6.221 1.00 0.00 N ATOM 0 H LYS A 8 16.335 -8.655 -2.646 1.00 0.00 H new ATOM 0 HA LYS A 8 18.480 -6.923 -3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.293 -8.584 -5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 8 17.196 -7.366 -5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.293 -9.405 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.322 -8.604 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.709 -10.053 -3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.189 -10.491 -4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.921 -11.272 -5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.945 -12.303 -4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.353 -13.009 -6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.132 -11.866 -6.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.455 -11.464 -7.060 1.00 0.00 H new ATOM 88 N ARG A 9 17.110 -4.876 -3.704 1.00 0.00 N ATOM 89 CA ARG A 9 16.335 -3.641 -3.681 1.00 0.00 C ATOM 90 C ARG A 9 15.159 -3.719 -4.651 1.00 0.00 C ATOM 91 O ARG A 9 15.326 -4.068 -5.820 1.00 0.00 O ATOM 92 CB ARG A 9 17.225 -2.449 -4.036 1.00 0.00 C ATOM 93 CG ARG A 9 18.070 -1.952 -2.875 1.00 0.00 C ATOM 94 CD ARG A 9 19.353 -1.296 -3.360 1.00 0.00 C ATOM 95 NE ARG A 9 19.957 -0.449 -2.334 1.00 0.00 N ATOM 96 CZ ARG A 9 20.603 -0.924 -1.275 1.00 0.00 C ATOM 97 NH1 ARG A 9 20.729 -2.233 -1.104 1.00 0.00 N ATOM 98 NH2 ARG A 9 21.125 -0.090 -0.386 1.00 0.00 N ATOM 0 H ARG A 9 18.121 -4.740 -3.687 1.00 0.00 H new ATOM 0 HA ARG A 9 15.944 -3.506 -2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.883 -2.730 -4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 9 16.598 -1.632 -4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 9 17.495 -1.238 -2.285 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.313 -2.786 -2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 9 20.064 -2.067 -3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 9 19.141 -0.697 -4.246 1.00 0.00 H new ATOM 0 HE ARG A 9 19.878 0.563 -2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 9 20.329 -2.877 -1.786 1.00 0.00 H new ATOM 0 HH12 ARG A 9 21.225 -2.596 -0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 9 21.031 0.917 -0.515 1.00 0.00 H new ATOM 0 HH22 ARG A 9 21.621 -0.456 0.427 1.00 0.00 H new ATOM 112 N LYS A 10 13.970 -3.392 -4.158 1.00 0.00 N ATOM 113 CA LYS A 10 12.765 -3.423 -4.979 1.00 0.00 C ATOM 114 C LYS A 10 12.906 -2.501 -6.186 1.00 0.00 C ATOM 115 O LYS A 10 13.777 -1.631 -6.218 1.00 0.00 O ATOM 116 CB LYS A 10 11.547 -3.013 -4.149 1.00 0.00 C ATOM 117 CG LYS A 10 11.207 -3.995 -3.041 1.00 0.00 C ATOM 118 CD LYS A 10 10.339 -3.352 -1.973 1.00 0.00 C ATOM 119 CE LYS A 10 9.702 -4.396 -1.069 1.00 0.00 C ATOM 120 NZ LYS A 10 10.620 -4.814 0.027 1.00 0.00 N ATOM 0 H LYS A 10 13.814 -3.102 -3.193 1.00 0.00 H new ATOM 0 HA LYS A 10 12.625 -4.443 -5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.730 -2.032 -3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.686 -2.911 -4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.688 -4.856 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 10 12.126 -4.367 -2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 10 10.943 -2.670 -1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.560 -2.755 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.784 -3.994 -0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.423 -5.267 -1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.150 -5.526 0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.486 -5.221 -0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.867 -3.987 0.608 1.00 0.00 H new ATOM 134 N THR A 11 12.041 -2.695 -7.177 1.00 0.00 N ATOM 135 CA THR A 11 12.069 -1.881 -8.386 1.00 0.00 C ATOM 136 C THR A 11 10.834 -0.991 -8.477 1.00 0.00 C ATOM 137 O THR A 11 9.735 -1.396 -8.098 1.00 0.00 O ATOM 138 CB THR A 11 12.152 -2.755 -9.651 1.00 0.00 C ATOM 139 OG1 THR A 11 10.928 -3.477 -9.829 1.00 0.00 O ATOM 140 CG2 THR A 11 13.314 -3.733 -9.557 1.00 0.00 C ATOM 0 H THR A 11 11.312 -3.409 -7.166 1.00 0.00 H new ATOM 0 HA THR A 11 12.961 -1.257 -8.326 1.00 0.00 H new ATOM 0 HB THR A 11 12.316 -2.101 -10.508 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.988 -4.029 -10.636 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.353 -4.340 -10.462 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.247 -3.180 -9.451 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.175 -4.381 -8.691 1.00 0.00 H new ATOM 148 N LYS A 12 11.022 0.223 -8.983 1.00 0.00 N ATOM 149 CA LYS A 12 9.923 1.171 -9.127 1.00 0.00 C ATOM 150 C LYS A 12 8.654 0.466 -9.594 1.00 0.00 C ATOM 151 O LYS A 12 7.568 0.711 -9.069 1.00 0.00 O ATOM 152 CB LYS A 12 10.300 2.274 -10.118 1.00 0.00 C ATOM 153 CG LYS A 12 9.174 3.255 -10.394 1.00 0.00 C ATOM 154 CD LYS A 12 9.512 4.182 -11.550 1.00 0.00 C ATOM 155 CE LYS A 12 10.380 5.345 -11.097 1.00 0.00 C ATOM 156 NZ LYS A 12 9.566 6.455 -10.527 1.00 0.00 N ATOM 0 H LYS A 12 11.926 0.574 -9.300 1.00 0.00 H new ATOM 0 HA LYS A 12 9.732 1.618 -8.151 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.160 2.821 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.610 1.816 -11.057 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.260 2.706 -10.622 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.977 3.845 -9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.030 3.621 -12.328 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.592 4.564 -11.992 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.093 4.997 -10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.960 5.716 -11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.194 7.229 -10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.903 6.805 -11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.032 6.107 -9.705 1.00 0.00 H new ATOM 170 N GLU A 13 8.799 -0.412 -10.582 1.00 0.00 N ATOM 171 CA GLU A 13 7.663 -1.152 -11.118 1.00 0.00 C ATOM 172 C GLU A 13 6.972 -1.958 -10.022 1.00 0.00 C ATOM 173 O GLU A 13 5.778 -1.793 -9.775 1.00 0.00 O ATOM 174 CB GLU A 13 8.118 -2.086 -12.242 1.00 0.00 C ATOM 175 CG GLU A 13 8.111 -1.434 -13.615 1.00 0.00 C ATOM 176 CD GLU A 13 8.498 -2.398 -14.720 1.00 0.00 C ATOM 177 OE1 GLU A 13 7.947 -3.518 -14.751 1.00 0.00 O ATOM 178 OE2 GLU A 13 9.351 -2.031 -15.554 1.00 0.00 O ATOM 0 H GLU A 13 9.691 -0.628 -11.027 1.00 0.00 H new ATOM 0 HA GLU A 13 6.951 -0.431 -11.520 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.125 -2.441 -12.023 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.468 -2.961 -12.261 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.118 -1.034 -13.818 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.801 -0.590 -13.616 1.00 0.00 H new ATOM 185 N GLN A 14 7.733 -2.830 -9.368 1.00 0.00 N ATOM 186 CA GLN A 14 7.195 -3.663 -8.299 1.00 0.00 C ATOM 187 C GLN A 14 6.526 -2.808 -7.228 1.00 0.00 C ATOM 188 O GLN A 14 5.354 -3.003 -6.904 1.00 0.00 O ATOM 189 CB GLN A 14 8.305 -4.509 -7.674 1.00 0.00 C ATOM 190 CG GLN A 14 8.904 -5.529 -8.629 1.00 0.00 C ATOM 191 CD GLN A 14 10.112 -6.235 -8.047 1.00 0.00 C ATOM 192 OE1 GLN A 14 11.088 -5.596 -7.650 1.00 0.00 O ATOM 193 NE2 GLN A 14 10.054 -7.560 -7.992 1.00 0.00 N ATOM 0 H GLN A 14 8.724 -2.978 -9.560 1.00 0.00 H new ATOM 0 HA GLN A 14 6.445 -4.325 -8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.096 -3.849 -7.317 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.907 -5.029 -6.803 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.146 -6.268 -8.887 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.191 -5.030 -9.554 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.226 -8.049 -8.332 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.838 -8.089 -7.610 1.00 0.00 H new ATOM 202 N LEU A 15 7.279 -1.860 -6.680 1.00 0.00 N ATOM 203 CA LEU A 15 6.760 -0.974 -5.644 1.00 0.00 C ATOM 204 C LEU A 15 5.504 -0.253 -6.123 1.00 0.00 C ATOM 205 O LEU A 15 4.567 -0.041 -5.354 1.00 0.00 O ATOM 206 CB LEU A 15 7.824 0.046 -5.237 1.00 0.00 C ATOM 207 CG LEU A 15 8.821 -0.412 -4.173 1.00 0.00 C ATOM 208 CD1 LEU A 15 9.764 0.722 -3.801 1.00 0.00 C ATOM 209 CD2 LEU A 15 8.089 -0.924 -2.941 1.00 0.00 C ATOM 0 H LEU A 15 8.251 -1.685 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 15 6.499 -1.582 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.381 0.335 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.320 0.941 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 15 9.413 -1.229 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.466 0.377 -3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.314 1.043 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.188 1.560 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.815 -1.246 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.472 -0.127 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.456 -1.767 -3.218 1.00 0.00 H new ATOM 221 N ALA A 16 5.492 0.119 -7.398 1.00 0.00 N ATOM 222 CA ALA A 16 4.350 0.812 -7.981 1.00 0.00 C ATOM 223 C ALA A 16 3.054 0.054 -7.717 1.00 0.00 C ATOM 224 O ALA A 16 2.043 0.646 -7.337 1.00 0.00 O ATOM 225 CB ALA A 16 4.555 1.004 -9.477 1.00 0.00 C ATOM 0 H ALA A 16 6.261 -0.048 -8.048 1.00 0.00 H new ATOM 0 HA ALA A 16 4.271 1.791 -7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.694 1.523 -9.899 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.455 1.595 -9.648 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.663 0.031 -9.957 1.00 0.00 H new ATOM 231 N ILE A 17 3.089 -1.259 -7.920 1.00 0.00 N ATOM 232 CA ILE A 17 1.917 -2.098 -7.703 1.00 0.00 C ATOM 233 C ILE A 17 1.522 -2.119 -6.230 1.00 0.00 C ATOM 234 O ILE A 17 0.342 -2.232 -5.895 1.00 0.00 O ATOM 235 CB ILE A 17 2.163 -3.542 -8.178 1.00 0.00 C ATOM 236 CG1 ILE A 17 2.189 -3.602 -9.707 1.00 0.00 C ATOM 237 CG2 ILE A 17 1.092 -4.470 -7.624 1.00 0.00 C ATOM 238 CD1 ILE A 17 3.028 -4.737 -10.252 1.00 0.00 C ATOM 0 H ILE A 17 3.917 -1.765 -8.235 1.00 0.00 H new ATOM 0 HA ILE A 17 1.106 -1.665 -8.288 1.00 0.00 H new ATOM 0 HB ILE A 17 3.132 -3.872 -7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.169 -3.705 -10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.574 -2.658 -10.093 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.279 -5.487 -7.968 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.117 -4.445 -6.535 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.112 -4.143 -7.972 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.001 -4.719 -11.342 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.058 -4.624 -9.913 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.631 -5.687 -9.895 1.00 0.00 H new ATOM 250 N LEU A 18 2.515 -2.007 -5.355 1.00 0.00 N ATOM 251 CA LEU A 18 2.271 -2.011 -3.917 1.00 0.00 C ATOM 252 C LEU A 18 1.662 -0.688 -3.464 1.00 0.00 C ATOM 253 O LEU A 18 0.584 -0.660 -2.870 1.00 0.00 O ATOM 254 CB LEU A 18 3.575 -2.270 -3.160 1.00 0.00 C ATOM 255 CG LEU A 18 3.904 -3.735 -2.873 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.321 -3.869 -2.338 1.00 0.00 C ATOM 257 CD2 LEU A 18 2.903 -4.324 -1.889 1.00 0.00 C ATOM 0 H LEU A 18 3.496 -1.912 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 18 1.564 -2.810 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.396 -1.839 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.533 -1.735 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 18 3.836 -4.292 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.537 -4.919 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.026 -3.486 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.417 -3.298 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.153 -5.367 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.939 -3.764 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.900 -4.263 -2.310 1.00 0.00 H new ATOM 269 N LYS A 19 2.357 0.407 -3.751 1.00 0.00 N ATOM 270 CA LYS A 19 1.884 1.735 -3.378 1.00 0.00 C ATOM 271 C LYS A 19 0.374 1.847 -3.565 1.00 0.00 C ATOM 272 O LYS A 19 -0.325 2.414 -2.725 1.00 0.00 O ATOM 273 CB LYS A 19 2.593 2.805 -4.211 1.00 0.00 C ATOM 274 CG LYS A 19 4.055 2.991 -3.844 1.00 0.00 C ATOM 275 CD LYS A 19 4.679 4.145 -4.612 1.00 0.00 C ATOM 276 CE LYS A 19 6.190 4.179 -4.435 1.00 0.00 C ATOM 277 NZ LYS A 19 6.849 5.035 -5.460 1.00 0.00 N ATOM 0 H LYS A 19 3.251 0.401 -4.242 1.00 0.00 H new ATOM 0 HA LYS A 19 2.115 1.893 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.523 2.538 -5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.072 3.754 -4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.142 3.176 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.604 2.073 -4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.437 4.052 -5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.250 5.086 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.431 4.553 -3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.586 3.166 -4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.877 5.032 -5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.640 4.664 -6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.490 6.008 -5.383 1.00 0.00 H new ATOM 291 N SER A 20 -0.122 1.302 -4.671 1.00 0.00 N ATOM 292 CA SER A 20 -1.549 1.343 -4.969 1.00 0.00 C ATOM 293 C SER A 20 -2.332 0.457 -4.004 1.00 0.00 C ATOM 294 O SER A 20 -3.444 0.794 -3.597 1.00 0.00 O ATOM 295 CB SER A 20 -1.804 0.895 -6.410 1.00 0.00 C ATOM 296 OG SER A 20 -3.192 0.819 -6.682 1.00 0.00 O ATOM 0 H SER A 20 0.443 0.827 -5.375 1.00 0.00 H new ATOM 0 HA SER A 20 -1.890 2.371 -4.849 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.333 1.594 -7.100 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.343 -0.078 -6.578 1.00 0.00 H new ATOM 0 HG SER A 20 -3.328 0.532 -7.609 1.00 0.00 H new ATOM 302 N PHE A 21 -1.742 -0.677 -3.641 1.00 0.00 N ATOM 303 CA PHE A 21 -2.383 -1.613 -2.725 1.00 0.00 C ATOM 304 C PHE A 21 -2.486 -1.018 -1.324 1.00 0.00 C ATOM 305 O PHE A 21 -3.551 -1.033 -0.707 1.00 0.00 O ATOM 306 CB PHE A 21 -1.603 -2.928 -2.677 1.00 0.00 C ATOM 307 CG PHE A 21 -2.461 -4.124 -2.378 1.00 0.00 C ATOM 308 CD1 PHE A 21 -2.824 -4.424 -1.075 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.905 -4.948 -3.400 1.00 0.00 C ATOM 310 CE1 PHE A 21 -3.614 -5.524 -0.796 1.00 0.00 C ATOM 311 CE2 PHE A 21 -3.696 -6.048 -3.127 1.00 0.00 C ATOM 312 CZ PHE A 21 -4.050 -6.337 -1.823 1.00 0.00 C ATOM 0 H PHE A 21 -0.821 -0.970 -3.967 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.390 -1.810 -3.092 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.103 -3.080 -3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.824 -2.851 -1.919 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.486 -3.791 -0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.630 -4.728 -4.421 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.890 -5.747 0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.037 -6.681 -3.932 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.667 -7.197 -1.608 1.00 0.00 H new ATOM 322 N PHE A 22 -1.370 -0.494 -0.827 1.00 0.00 N ATOM 323 CA PHE A 22 -1.333 0.105 0.502 1.00 0.00 C ATOM 324 C PHE A 22 -2.456 1.123 0.672 1.00 0.00 C ATOM 325 O PHE A 22 -3.200 1.087 1.653 1.00 0.00 O ATOM 326 CB PHE A 22 0.021 0.777 0.744 1.00 0.00 C ATOM 327 CG PHE A 22 0.190 1.298 2.143 1.00 0.00 C ATOM 328 CD1 PHE A 22 0.194 0.430 3.223 1.00 0.00 C ATOM 329 CD2 PHE A 22 0.347 2.654 2.377 1.00 0.00 C ATOM 330 CE1 PHE A 22 0.349 0.906 4.511 1.00 0.00 C ATOM 331 CE2 PHE A 22 0.503 3.136 3.663 1.00 0.00 C ATOM 332 CZ PHE A 22 0.505 2.261 4.731 1.00 0.00 C ATOM 0 H PHE A 22 -0.480 -0.472 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.473 -0.689 1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.816 0.061 0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.139 1.602 0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.075 -0.630 3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.348 3.343 1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.348 0.220 5.345 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.623 4.196 3.832 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.628 2.635 5.737 1.00 0.00 H new ATOM 342 N LEU A 23 -2.574 2.031 -0.291 1.00 0.00 N ATOM 343 CA LEU A 23 -3.606 3.061 -0.249 1.00 0.00 C ATOM 344 C LEU A 23 -4.985 2.442 -0.042 1.00 0.00 C ATOM 345 O LEU A 23 -5.708 2.812 0.883 1.00 0.00 O ATOM 346 CB LEU A 23 -3.591 3.878 -1.542 1.00 0.00 C ATOM 347 CG LEU A 23 -2.257 4.527 -1.911 1.00 0.00 C ATOM 348 CD1 LEU A 23 -2.121 4.649 -3.420 1.00 0.00 C ATOM 349 CD2 LEU A 23 -2.127 5.892 -1.250 1.00 0.00 C ATOM 0 H LEU A 23 -1.968 2.075 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.393 3.720 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.895 3.228 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.344 4.662 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.452 3.890 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.165 5.113 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.168 3.658 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.932 5.264 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.171 6.339 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.939 6.537 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.177 5.778 -0.167 1.00 0.00 H new ATOM 361 N GLN A 24 -5.340 1.497 -0.906 1.00 0.00 N ATOM 362 CA GLN A 24 -6.631 0.825 -0.816 1.00 0.00 C ATOM 363 C GLN A 24 -6.789 0.128 0.531 1.00 0.00 C ATOM 364 O GLN A 24 -7.883 0.087 1.096 1.00 0.00 O ATOM 365 CB GLN A 24 -6.782 -0.190 -1.950 1.00 0.00 C ATOM 366 CG GLN A 24 -6.762 0.437 -3.334 1.00 0.00 C ATOM 367 CD GLN A 24 -7.877 1.443 -3.536 1.00 0.00 C ATOM 368 OE1 GLN A 24 -7.638 2.650 -3.589 1.00 0.00 O ATOM 369 NE2 GLN A 24 -9.106 0.951 -3.649 1.00 0.00 N ATOM 0 H GLN A 24 -4.752 1.179 -1.676 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.412 1.580 -0.908 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.978 -0.922 -1.880 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.719 -0.732 -1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.802 0.928 -3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.846 -0.348 -4.085 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.259 -0.056 -3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.897 1.581 -3.786 1.00 0.00 H new ATOM 378 N CYS A 25 -5.691 -0.419 1.041 1.00 0.00 N ATOM 379 CA CYS A 25 -5.708 -1.116 2.322 1.00 0.00 C ATOM 380 C CYS A 25 -4.310 -1.173 2.929 1.00 0.00 C ATOM 381 O CYS A 25 -3.426 -1.854 2.409 1.00 0.00 O ATOM 382 CB CYS A 25 -6.260 -2.531 2.149 1.00 0.00 C ATOM 383 SG CYS A 25 -8.055 -2.651 2.333 1.00 0.00 S ATOM 0 H CYS A 25 -4.778 -0.393 0.587 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.356 -0.561 3.000 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.981 -2.900 1.162 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.786 -3.186 2.880 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.612 -1.572 1.870 1.00 0.00 H new ATOM 389 N GLN A 26 -4.117 -0.453 4.029 1.00 0.00 N ATOM 390 CA GLN A 26 -2.825 -0.420 4.704 1.00 0.00 C ATOM 391 C GLN A 26 -2.414 -1.816 5.160 1.00 0.00 C ATOM 392 O GLN A 26 -1.234 -2.083 5.386 1.00 0.00 O ATOM 393 CB GLN A 26 -2.877 0.526 5.904 1.00 0.00 C ATOM 394 CG GLN A 26 -2.998 1.992 5.519 1.00 0.00 C ATOM 395 CD GLN A 26 -4.412 2.379 5.132 1.00 0.00 C ATOM 396 OE1 GLN A 26 -5.252 2.646 5.992 1.00 0.00 O ATOM 397 NE2 GLN A 26 -4.683 2.412 3.833 1.00 0.00 N ATOM 0 H GLN A 26 -4.839 0.115 4.472 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.082 -0.055 3.995 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.723 0.254 6.534 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.977 0.389 6.503 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.672 2.611 6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.327 2.202 4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.957 2.183 3.155 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.618 2.666 3.513 1.00 0.00 H new ATOM 406 N TRP A 27 -3.394 -2.702 5.292 1.00 0.00 N ATOM 407 CA TRP A 27 -3.133 -4.072 5.722 1.00 0.00 C ATOM 408 C TRP A 27 -3.735 -5.073 4.742 1.00 0.00 C ATOM 409 O TRP A 27 -4.921 -5.006 4.422 1.00 0.00 O ATOM 410 CB TRP A 27 -3.701 -4.306 7.123 1.00 0.00 C ATOM 411 CG TRP A 27 -3.165 -3.352 8.147 1.00 0.00 C ATOM 412 CD1 TRP A 27 -3.481 -2.030 8.282 1.00 0.00 C ATOM 413 CD2 TRP A 27 -2.218 -3.647 9.180 1.00 0.00 C ATOM 414 NE1 TRP A 27 -2.788 -1.486 9.335 1.00 0.00 N ATOM 415 CE2 TRP A 27 -2.006 -2.457 9.903 1.00 0.00 C ATOM 416 CE3 TRP A 27 -1.529 -4.800 9.564 1.00 0.00 C ATOM 417 CZ2 TRP A 27 -1.134 -2.390 10.987 1.00 0.00 C ATOM 418 CZ3 TRP A 27 -0.664 -4.732 10.640 1.00 0.00 C ATOM 419 CH2 TRP A 27 -0.473 -3.534 11.341 1.00 0.00 C ATOM 0 H TRP A 27 -4.376 -2.497 5.108 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.053 -4.220 5.747 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.787 -4.217 7.087 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.475 -5.326 7.433 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.174 -1.492 7.653 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -2.846 -0.516 9.644 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.670 -5.728 9.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -0.985 -1.468 11.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.126 -5.617 10.946 1.00 0.00 H new ATOM 0 HH2 TRP A 27 0.210 -3.513 12.178 1.00 0.00 H new ATOM 430 N ALA A 28 -2.909 -6.001 4.269 1.00 0.00 N ATOM 431 CA ALA A 28 -3.362 -7.018 3.328 1.00 0.00 C ATOM 432 C ALA A 28 -3.521 -8.370 4.015 1.00 0.00 C ATOM 433 O ALA A 28 -2.829 -8.667 4.989 1.00 0.00 O ATOM 434 CB ALA A 28 -2.390 -7.127 2.162 1.00 0.00 C ATOM 0 H ALA A 28 -1.923 -6.069 4.522 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.338 -6.717 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.740 -7.890 1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.329 -6.168 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.403 -7.401 2.535 1.00 0.00 H new ATOM 440 N ARG A 29 -4.436 -9.185 3.501 1.00 0.00 N ATOM 441 CA ARG A 29 -4.687 -10.505 4.067 1.00 0.00 C ATOM 442 C ARG A 29 -3.954 -11.584 3.275 1.00 0.00 C ATOM 443 O ARG A 29 -3.546 -11.362 2.135 1.00 0.00 O ATOM 444 CB ARG A 29 -6.188 -10.800 4.082 1.00 0.00 C ATOM 445 CG ARG A 29 -6.952 -10.016 5.136 1.00 0.00 C ATOM 446 CD ARG A 29 -8.229 -10.733 5.548 1.00 0.00 C ATOM 447 NE ARG A 29 -8.605 -10.432 6.927 1.00 0.00 N ATOM 448 CZ ARG A 29 -9.101 -9.262 7.315 1.00 0.00 C ATOM 449 NH1 ARG A 29 -9.280 -8.289 6.432 1.00 0.00 N ATOM 450 NH2 ARG A 29 -9.420 -9.064 8.587 1.00 0.00 N ATOM 0 H ARG A 29 -5.016 -8.955 2.694 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.312 -10.511 5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.604 -10.574 3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.339 -11.866 4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.319 -9.867 6.011 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.198 -9.027 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.040 -10.443 4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.093 -11.809 5.436 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.480 -11.160 7.631 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.037 -8.438 5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.661 -7.392 6.732 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.285 -9.810 9.269 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.801 -8.165 8.883 1.00 0.00 H new ATOM 464 N ARG A 30 -3.791 -12.752 3.888 1.00 0.00 N ATOM 465 CA ARG A 30 -3.105 -13.865 3.242 1.00 0.00 C ATOM 466 C ARG A 30 -3.656 -14.101 1.838 1.00 0.00 C ATOM 467 O ARG A 30 -2.908 -14.409 0.912 1.00 0.00 O ATOM 468 CB ARG A 30 -3.250 -15.137 4.079 1.00 0.00 C ATOM 469 CG ARG A 30 -4.694 -15.510 4.375 1.00 0.00 C ATOM 470 CD ARG A 30 -4.787 -16.517 5.511 1.00 0.00 C ATOM 471 NE ARG A 30 -4.770 -15.869 6.819 1.00 0.00 N ATOM 472 CZ ARG A 30 -4.671 -16.532 7.966 1.00 0.00 C ATOM 473 NH1 ARG A 30 -4.580 -17.855 7.965 1.00 0.00 N ATOM 474 NH2 ARG A 30 -4.662 -15.872 9.117 1.00 0.00 N ATOM 0 H ARG A 30 -4.125 -12.952 4.831 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.048 -13.611 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.770 -15.963 3.555 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.717 -15.005 5.021 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.257 -14.613 4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.154 -15.927 3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.703 -17.098 5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.955 -17.218 5.443 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.838 -14.852 6.854 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.586 -18.366 7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.504 -18.362 8.847 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.731 -14.854 9.122 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.586 -16.382 9.997 1.00 0.00 H new ATOM 488 N GLU A 31 -4.970 -13.956 1.692 1.00 0.00 N ATOM 489 CA GLU A 31 -5.620 -14.155 0.402 1.00 0.00 C ATOM 490 C GLU A 31 -5.154 -13.111 -0.609 1.00 0.00 C ATOM 491 O GLU A 31 -5.181 -13.346 -1.818 1.00 0.00 O ATOM 492 CB GLU A 31 -7.141 -14.088 0.557 1.00 0.00 C ATOM 493 CG GLU A 31 -7.649 -12.725 0.997 1.00 0.00 C ATOM 494 CD GLU A 31 -9.023 -12.793 1.633 1.00 0.00 C ATOM 495 OE1 GLU A 31 -9.300 -13.783 2.343 1.00 0.00 O ATOM 496 OE2 GLU A 31 -9.822 -11.856 1.422 1.00 0.00 O ATOM 0 H GLU A 31 -5.604 -13.702 2.450 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.343 -15.142 0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.606 -14.350 -0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.457 -14.836 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.945 -12.291 1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.684 -12.059 0.135 1.00 0.00 H new ATOM 503 N ASP A 32 -4.729 -11.957 -0.106 1.00 0.00 N ATOM 504 CA ASP A 32 -4.258 -10.877 -0.964 1.00 0.00 C ATOM 505 C ASP A 32 -2.769 -11.030 -1.262 1.00 0.00 C ATOM 506 O ASP A 32 -2.331 -10.847 -2.398 1.00 0.00 O ATOM 507 CB ASP A 32 -4.522 -9.522 -0.306 1.00 0.00 C ATOM 508 CG ASP A 32 -5.887 -8.964 -0.656 1.00 0.00 C ATOM 509 OD1 ASP A 32 -6.175 -8.811 -1.862 1.00 0.00 O ATOM 510 OD2 ASP A 32 -6.669 -8.682 0.276 1.00 0.00 O ATOM 0 H ASP A 32 -4.701 -11.746 0.892 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.806 -10.928 -1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.442 -9.625 0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.753 -8.815 -0.617 1.00 0.00 H new ATOM 515 N TYR A 33 -1.997 -11.366 -0.235 1.00 0.00 N ATOM 516 CA TYR A 33 -0.557 -11.540 -0.386 1.00 0.00 C ATOM 517 C TYR A 33 -0.243 -12.541 -1.494 1.00 0.00 C ATOM 518 O TYR A 33 0.528 -12.248 -2.408 1.00 0.00 O ATOM 519 CB TYR A 33 0.061 -12.010 0.932 1.00 0.00 C ATOM 520 CG TYR A 33 0.115 -10.934 1.993 1.00 0.00 C ATOM 521 CD1 TYR A 33 0.620 -9.672 1.705 1.00 0.00 C ATOM 522 CD2 TYR A 33 -0.337 -11.180 3.283 1.00 0.00 C ATOM 523 CE1 TYR A 33 0.672 -8.686 2.672 1.00 0.00 C ATOM 524 CE2 TYR A 33 -0.290 -10.200 4.255 1.00 0.00 C ATOM 525 CZ TYR A 33 0.215 -8.955 3.945 1.00 0.00 C ATOM 526 OH TYR A 33 0.265 -7.976 4.911 1.00 0.00 O ATOM 0 H TYR A 33 -2.344 -11.523 0.711 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.126 -10.577 -0.659 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.513 -12.855 1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.071 -12.372 0.741 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.978 -9.458 0.709 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.732 -12.154 3.530 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.068 -7.710 2.432 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.647 -10.408 5.253 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.630 -7.843 5.288 1.00 0.00 H new ATOM 536 N GLN A 34 -0.847 -13.721 -1.404 1.00 0.00 N ATOM 537 CA GLN A 34 -0.631 -14.766 -2.399 1.00 0.00 C ATOM 538 C GLN A 34 -0.790 -14.214 -3.812 1.00 0.00 C ATOM 539 O GLN A 34 -0.242 -14.760 -4.769 1.00 0.00 O ATOM 540 CB GLN A 34 -1.610 -15.920 -2.176 1.00 0.00 C ATOM 541 CG GLN A 34 -3.063 -15.538 -2.406 1.00 0.00 C ATOM 542 CD GLN A 34 -3.961 -16.745 -2.594 1.00 0.00 C ATOM 543 OE1 GLN A 34 -4.427 -17.021 -3.700 1.00 0.00 O ATOM 544 NE2 GLN A 34 -4.209 -17.473 -1.511 1.00 0.00 N ATOM 0 H GLN A 34 -1.489 -13.978 -0.654 1.00 0.00 H new ATOM 0 HA GLN A 34 0.388 -15.136 -2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.349 -16.741 -2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.497 -16.289 -1.157 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.420 -14.953 -1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.132 -14.898 -3.286 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.802 -17.208 -0.614 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.806 -18.297 -1.576 1.00 0.00 H new ATOM 553 N LYS A 35 -1.544 -13.127 -3.935 1.00 0.00 N ATOM 554 CA LYS A 35 -1.776 -12.499 -5.230 1.00 0.00 C ATOM 555 C LYS A 35 -0.742 -11.410 -5.500 1.00 0.00 C ATOM 556 O LYS A 35 -0.243 -11.276 -6.618 1.00 0.00 O ATOM 557 CB LYS A 35 -3.185 -11.904 -5.288 1.00 0.00 C ATOM 558 CG LYS A 35 -3.464 -11.123 -6.560 1.00 0.00 C ATOM 559 CD LYS A 35 -3.124 -9.651 -6.397 1.00 0.00 C ATOM 560 CE LYS A 35 -4.344 -8.838 -5.991 1.00 0.00 C ATOM 561 NZ LYS A 35 -4.697 -9.045 -4.559 1.00 0.00 N ATOM 0 H LYS A 35 -2.005 -12.662 -3.153 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.680 -13.266 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.914 -12.709 -5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.329 -11.248 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.882 -11.543 -7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.515 -11.227 -6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.344 -9.538 -5.645 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.723 -9.263 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.151 -7.780 -6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.191 -9.117 -6.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.396 -8.332 -4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.100 -9.996 -4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.842 -8.952 -3.974 1.00 0.00 H new ATOM 575 N LEU A 36 -0.423 -10.636 -4.469 1.00 0.00 N ATOM 576 CA LEU A 36 0.554 -9.559 -4.594 1.00 0.00 C ATOM 577 C LEU A 36 1.879 -10.086 -5.135 1.00 0.00 C ATOM 578 O LEU A 36 2.554 -9.413 -5.912 1.00 0.00 O ATOM 579 CB LEU A 36 0.775 -8.885 -3.239 1.00 0.00 C ATOM 580 CG LEU A 36 -0.291 -7.877 -2.809 1.00 0.00 C ATOM 581 CD1 LEU A 36 -0.099 -7.486 -1.351 1.00 0.00 C ATOM 582 CD2 LEU A 36 -0.253 -6.646 -3.702 1.00 0.00 C ATOM 0 H LEU A 36 -0.826 -10.734 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 36 0.162 -8.825 -5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.841 -9.661 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.739 -8.377 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.269 -8.346 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.867 -6.768 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.178 -8.373 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.885 -7.036 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.019 -5.940 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.728 -6.175 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.441 -6.940 -4.735 1.00 0.00 H new ATOM 594 N GLU A 37 2.243 -11.296 -4.719 1.00 0.00 N ATOM 595 CA GLU A 37 3.487 -11.913 -5.164 1.00 0.00 C ATOM 596 C GLU A 37 3.399 -12.316 -6.633 1.00 0.00 C ATOM 597 O GLU A 37 4.393 -12.723 -7.235 1.00 0.00 O ATOM 598 CB GLU A 37 3.809 -13.138 -4.306 1.00 0.00 C ATOM 599 CG GLU A 37 2.617 -14.051 -4.075 1.00 0.00 C ATOM 600 CD GLU A 37 3.025 -15.479 -3.772 1.00 0.00 C ATOM 601 OE1 GLU A 37 4.183 -15.690 -3.354 1.00 0.00 O ATOM 602 OE2 GLU A 37 2.186 -16.387 -3.952 1.00 0.00 O ATOM 0 H GLU A 37 1.695 -11.867 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 37 4.287 -11.180 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.605 -13.708 -4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.193 -12.805 -3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.023 -13.664 -3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.979 -14.039 -4.959 1.00 0.00 H new ATOM 609 N GLN A 38 2.204 -12.201 -7.202 1.00 0.00 N ATOM 610 CA GLN A 38 1.986 -12.555 -8.600 1.00 0.00 C ATOM 611 C GLN A 38 1.976 -11.310 -9.481 1.00 0.00 C ATOM 612 O GLN A 38 2.276 -11.380 -10.673 1.00 0.00 O ATOM 613 CB GLN A 38 0.668 -13.316 -8.756 1.00 0.00 C ATOM 614 CG GLN A 38 0.507 -13.981 -10.113 1.00 0.00 C ATOM 615 CD GLN A 38 -0.417 -15.182 -10.068 1.00 0.00 C ATOM 616 OE1 GLN A 38 -0.682 -15.736 -9.001 1.00 0.00 O ATOM 617 NE2 GLN A 38 -0.913 -15.592 -11.230 1.00 0.00 N ATOM 0 H GLN A 38 1.372 -11.866 -6.717 1.00 0.00 H new ATOM 0 HA GLN A 38 2.807 -13.197 -8.919 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.603 -14.077 -7.978 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.161 -12.626 -8.598 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.117 -13.254 -10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.485 -14.293 -10.479 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.667 -15.103 -12.091 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.540 -16.396 -11.262 1.00 0.00 H new ATOM 626 N ILE A 39 1.628 -10.174 -8.887 1.00 0.00 N ATOM 627 CA ILE A 39 1.579 -8.914 -9.619 1.00 0.00 C ATOM 628 C ILE A 39 2.905 -8.168 -9.518 1.00 0.00 C ATOM 629 O ILE A 39 3.303 -7.457 -10.441 1.00 0.00 O ATOM 630 CB ILE A 39 0.451 -8.004 -9.098 1.00 0.00 C ATOM 631 CG1 ILE A 39 0.190 -8.275 -7.615 1.00 0.00 C ATOM 632 CG2 ILE A 39 -0.818 -8.216 -9.912 1.00 0.00 C ATOM 633 CD1 ILE A 39 -0.774 -7.297 -6.983 1.00 0.00 C ATOM 0 H ILE A 39 1.376 -10.100 -7.901 1.00 0.00 H new ATOM 0 HA ILE A 39 1.382 -9.162 -10.662 1.00 0.00 H new ATOM 0 HB ILE A 39 0.762 -6.965 -9.208 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.204 -9.285 -7.502 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.136 -8.240 -7.075 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.607 -7.566 -9.532 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.624 -7.978 -10.958 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.134 -9.256 -9.829 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.912 -7.550 -5.932 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.373 -6.287 -7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.734 -7.348 -7.497 1.00 0.00 H new ATOM 645 N THR A 40 3.589 -8.337 -8.390 1.00 0.00 N ATOM 646 CA THR A 40 4.871 -7.681 -8.168 1.00 0.00 C ATOM 647 C THR A 40 6.030 -8.640 -8.417 1.00 0.00 C ATOM 648 O THR A 40 7.143 -8.217 -8.726 1.00 0.00 O ATOM 649 CB THR A 40 4.978 -7.126 -6.735 1.00 0.00 C ATOM 650 OG1 THR A 40 4.646 -8.148 -5.788 1.00 0.00 O ATOM 651 CG2 THR A 40 4.052 -5.934 -6.546 1.00 0.00 C ATOM 0 H THR A 40 3.276 -8.923 -7.616 1.00 0.00 H new ATOM 0 HA THR A 40 4.929 -6.854 -8.875 1.00 0.00 H new ATOM 0 HB THR A 40 6.005 -6.799 -6.572 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.673 -8.260 -5.756 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.145 -5.559 -5.527 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.325 -5.146 -7.248 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.022 -6.241 -6.727 1.00 0.00 H new ATOM 659 N GLY A 41 5.760 -9.935 -8.280 1.00 0.00 N ATOM 660 CA GLY A 41 6.791 -10.934 -8.494 1.00 0.00 C ATOM 661 C GLY A 41 7.712 -11.082 -7.300 1.00 0.00 C ATOM 662 O GLY A 41 8.766 -11.713 -7.393 1.00 0.00 O ATOM 0 H GLY A 41 4.846 -10.310 -8.025 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.323 -11.895 -8.709 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.379 -10.663 -9.371 1.00 0.00 H new ATOM 666 N LEU A 42 7.318 -10.497 -6.174 1.00 0.00 N ATOM 667 CA LEU A 42 8.117 -10.565 -4.956 1.00 0.00 C ATOM 668 C LEU A 42 7.492 -11.522 -3.947 1.00 0.00 C ATOM 669 O LEU A 42 6.272 -11.594 -3.796 1.00 0.00 O ATOM 670 CB LEU A 42 8.257 -9.173 -4.336 1.00 0.00 C ATOM 671 CG LEU A 42 9.069 -8.158 -5.142 1.00 0.00 C ATOM 672 CD1 LEU A 42 8.672 -6.739 -4.767 1.00 0.00 C ATOM 673 CD2 LEU A 42 10.559 -8.373 -4.924 1.00 0.00 C ATOM 0 H LEU A 42 6.450 -9.970 -6.080 1.00 0.00 H new ATOM 0 HA LEU A 42 9.106 -10.940 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.258 -8.766 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.718 -9.279 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 42 8.853 -8.306 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.260 -6.030 -5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.613 -6.590 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.858 -6.578 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.121 -7.642 -5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.793 -8.253 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.832 -9.378 -5.244 1.00 0.00 H new ATOM 685 N PRO A 43 8.345 -12.275 -3.237 1.00 0.00 N ATOM 686 CA PRO A 43 7.899 -13.240 -2.228 1.00 0.00 C ATOM 687 C PRO A 43 6.905 -12.632 -1.244 1.00 0.00 C ATOM 688 O PRO A 43 6.976 -11.444 -0.930 1.00 0.00 O ATOM 689 CB PRO A 43 9.194 -13.626 -1.509 1.00 0.00 C ATOM 690 CG PRO A 43 10.271 -13.371 -2.507 1.00 0.00 C ATOM 691 CD PRO A 43 9.812 -12.242 -3.365 1.00 0.00 C ATOM 0 HA PRO A 43 7.376 -14.085 -2.676 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.340 -13.030 -0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.179 -14.671 -1.201 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.207 -13.120 -2.008 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.458 -14.261 -3.108 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.221 -11.290 -3.026 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.126 -12.374 -4.400 1.00 0.00 H new ATOM 699 N ARG A 44 5.979 -13.454 -0.762 1.00 0.00 N ATOM 700 CA ARG A 44 4.970 -12.997 0.186 1.00 0.00 C ATOM 701 C ARG A 44 5.622 -12.332 1.395 1.00 0.00 C ATOM 702 O ARG A 44 5.193 -11.275 1.859 1.00 0.00 O ATOM 703 CB ARG A 44 4.100 -14.169 0.643 1.00 0.00 C ATOM 704 CG ARG A 44 3.955 -15.263 -0.402 1.00 0.00 C ATOM 705 CD ARG A 44 2.770 -16.168 -0.101 1.00 0.00 C ATOM 706 NE ARG A 44 2.447 -17.040 -1.227 1.00 0.00 N ATOM 707 CZ ARG A 44 1.498 -17.969 -1.188 1.00 0.00 C ATOM 708 NH1 ARG A 44 0.783 -18.145 -0.085 1.00 0.00 N ATOM 709 NH2 ARG A 44 1.263 -18.724 -2.254 1.00 0.00 N ATOM 0 H ARG A 44 5.906 -14.440 -1.012 1.00 0.00 H new ATOM 0 HA ARG A 44 4.342 -12.262 -0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.529 -14.598 1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.110 -13.795 0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.829 -14.813 -1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.868 -15.857 -0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.992 -16.776 0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.901 -15.558 0.146 1.00 0.00 H new ATOM 0 HE ARG A 44 2.979 -16.930 -2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.961 -17.566 0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.055 -18.859 -0.058 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.811 -18.591 -3.104 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.534 -19.437 -2.223 1.00 0.00 H new ATOM 723 N PRO A 45 6.682 -12.964 1.919 1.00 0.00 N ATOM 724 CA PRO A 45 7.415 -12.452 3.080 1.00 0.00 C ATOM 725 C PRO A 45 8.083 -11.110 2.799 1.00 0.00 C ATOM 726 O PRO A 45 8.386 -10.353 3.720 1.00 0.00 O ATOM 727 CB PRO A 45 8.470 -13.531 3.338 1.00 0.00 C ATOM 728 CG PRO A 45 7.961 -14.736 2.625 1.00 0.00 C ATOM 729 CD PRO A 45 7.248 -14.228 1.417 1.00 0.00 C ATOM 0 HA PRO A 45 6.756 -12.269 3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.446 -13.229 2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.588 -13.722 4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.780 -15.399 2.345 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.289 -15.311 3.262 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.925 -14.069 0.578 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.475 -14.917 1.077 1.00 0.00 H new ATOM 737 N GLU A 46 8.310 -10.824 1.520 1.00 0.00 N ATOM 738 CA GLU A 46 8.942 -9.573 1.119 1.00 0.00 C ATOM 739 C GLU A 46 7.911 -8.454 1.004 1.00 0.00 C ATOM 740 O GLU A 46 8.199 -7.296 1.308 1.00 0.00 O ATOM 741 CB GLU A 46 9.671 -9.749 -0.214 1.00 0.00 C ATOM 742 CG GLU A 46 10.886 -8.849 -0.367 1.00 0.00 C ATOM 743 CD GLU A 46 12.029 -9.252 0.545 1.00 0.00 C ATOM 744 OE1 GLU A 46 11.922 -9.020 1.767 1.00 0.00 O ATOM 745 OE2 GLU A 46 13.030 -9.800 0.036 1.00 0.00 O ATOM 0 H GLU A 46 8.066 -11.441 0.745 1.00 0.00 H new ATOM 0 HA GLU A 46 9.665 -9.299 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.985 -10.788 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.975 -9.547 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.225 -8.876 -1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.600 -7.819 -0.152 1.00 0.00 H new ATOM 752 N ILE A 47 6.709 -8.809 0.561 1.00 0.00 N ATOM 753 CA ILE A 47 5.635 -7.836 0.405 1.00 0.00 C ATOM 754 C ILE A 47 4.954 -7.551 1.740 1.00 0.00 C ATOM 755 O ILE A 47 4.748 -6.394 2.108 1.00 0.00 O ATOM 756 CB ILE A 47 4.578 -8.321 -0.604 1.00 0.00 C ATOM 757 CG1 ILE A 47 5.256 -8.868 -1.862 1.00 0.00 C ATOM 758 CG2 ILE A 47 3.626 -7.189 -0.960 1.00 0.00 C ATOM 759 CD1 ILE A 47 4.307 -9.585 -2.797 1.00 0.00 C ATOM 0 H ILE A 47 6.455 -9.763 0.304 1.00 0.00 H new ATOM 0 HA ILE A 47 6.091 -6.920 0.029 1.00 0.00 H new ATOM 0 HB ILE A 47 4.001 -9.124 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.728 -8.044 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.051 -9.554 -1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.885 -7.548 -1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.122 -6.840 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.188 -6.367 -1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.856 -9.946 -3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.854 -10.430 -2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.526 -8.897 -3.121 1.00 0.00 H new ATOM 771 N ILE A 48 4.608 -8.613 2.460 1.00 0.00 N ATOM 772 CA ILE A 48 3.953 -8.476 3.755 1.00 0.00 C ATOM 773 C ILE A 48 4.678 -7.462 4.633 1.00 0.00 C ATOM 774 O ILE A 48 4.077 -6.500 5.111 1.00 0.00 O ATOM 775 CB ILE A 48 3.884 -9.825 4.496 1.00 0.00 C ATOM 776 CG1 ILE A 48 3.032 -10.822 3.708 1.00 0.00 C ATOM 777 CG2 ILE A 48 3.324 -9.631 5.897 1.00 0.00 C ATOM 778 CD1 ILE A 48 3.351 -12.267 4.018 1.00 0.00 C ATOM 0 H ILE A 48 4.770 -9.577 2.169 1.00 0.00 H new ATOM 0 HA ILE A 48 2.939 -8.125 3.561 1.00 0.00 H new ATOM 0 HB ILE A 48 4.893 -10.228 4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.979 -10.637 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.176 -10.647 2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.281 -10.593 6.408 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.968 -8.952 6.455 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.321 -9.209 5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.709 -12.917 3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.395 -12.469 3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.180 -12.458 5.077 1.00 0.00 H new ATOM 790 N GLN A 49 5.972 -7.685 4.840 1.00 0.00 N ATOM 791 CA GLN A 49 6.778 -6.789 5.660 1.00 0.00 C ATOM 792 C GLN A 49 6.711 -5.359 5.133 1.00 0.00 C ATOM 793 O GLN A 49 6.532 -4.413 5.900 1.00 0.00 O ATOM 794 CB GLN A 49 8.232 -7.265 5.694 1.00 0.00 C ATOM 795 CG GLN A 49 8.957 -6.913 6.983 1.00 0.00 C ATOM 796 CD GLN A 49 8.819 -7.988 8.042 1.00 0.00 C ATOM 797 OE1 GLN A 49 8.034 -7.854 8.981 1.00 0.00 O ATOM 798 NE2 GLN A 49 9.585 -9.064 7.898 1.00 0.00 N ATOM 0 H GLN A 49 6.484 -8.477 4.452 1.00 0.00 H new ATOM 0 HA GLN A 49 6.374 -6.802 6.672 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.255 -8.346 5.558 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.769 -6.826 4.853 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.014 -6.753 6.769 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.564 -5.973 7.371 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.222 -9.134 7.104 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.536 -9.820 8.581 1.00 0.00 H new ATOM 807 N TRP A 50 6.856 -5.210 3.822 1.00 0.00 N ATOM 808 CA TRP A 50 6.812 -3.895 3.193 1.00 0.00 C ATOM 809 C TRP A 50 5.630 -3.083 3.710 1.00 0.00 C ATOM 810 O TRP A 50 5.774 -1.911 4.057 1.00 0.00 O ATOM 811 CB TRP A 50 6.723 -4.037 1.672 1.00 0.00 C ATOM 812 CG TRP A 50 6.668 -2.722 0.955 1.00 0.00 C ATOM 813 CD1 TRP A 50 7.728 -1.990 0.503 1.00 0.00 C ATOM 814 CD2 TRP A 50 5.491 -1.983 0.610 1.00 0.00 C ATOM 815 NE1 TRP A 50 7.282 -0.840 -0.102 1.00 0.00 N ATOM 816 CE2 TRP A 50 5.913 -0.813 -0.051 1.00 0.00 C ATOM 817 CE3 TRP A 50 4.122 -2.197 0.792 1.00 0.00 C ATOM 818 CZ2 TRP A 50 5.015 0.138 -0.527 1.00 0.00 C ATOM 819 CZ3 TRP A 50 3.232 -1.252 0.319 1.00 0.00 C ATOM 820 CH2 TRP A 50 3.681 -0.097 -0.335 1.00 0.00 C ATOM 0 H TRP A 50 7.005 -5.983 3.174 1.00 0.00 H new ATOM 0 HA TRP A 50 7.731 -3.367 3.449 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.585 -4.601 1.316 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.836 -4.618 1.420 1.00 0.00 H new ATOM 0 HD1 TRP A 50 8.765 -2.273 0.606 1.00 0.00 H new ATOM 0 HE1 TRP A 50 7.874 -0.123 -0.521 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.766 -3.085 1.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 5.359 1.030 -1.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.172 -1.406 0.456 1.00 0.00 H new ATOM 0 HH2 TRP A 50 2.960 0.622 -0.695 1.00 0.00 H new ATOM 831 N PHE A 51 4.462 -3.714 3.761 1.00 0.00 N ATOM 832 CA PHE A 51 3.254 -3.049 4.237 1.00 0.00 C ATOM 833 C PHE A 51 3.465 -2.472 5.633 1.00 0.00 C ATOM 834 O PHE A 51 3.025 -1.362 5.931 1.00 0.00 O ATOM 835 CB PHE A 51 2.078 -4.028 4.249 1.00 0.00 C ATOM 836 CG PHE A 51 1.353 -4.111 2.936 1.00 0.00 C ATOM 837 CD1 PHE A 51 1.795 -4.963 1.937 1.00 0.00 C ATOM 838 CD2 PHE A 51 0.229 -3.334 2.701 1.00 0.00 C ATOM 839 CE1 PHE A 51 1.129 -5.042 0.728 1.00 0.00 C ATOM 840 CE2 PHE A 51 -0.440 -3.409 1.494 1.00 0.00 C ATOM 841 CZ PHE A 51 0.011 -4.263 0.506 1.00 0.00 C ATOM 0 H PHE A 51 4.326 -4.685 3.479 1.00 0.00 H new ATOM 0 HA PHE A 51 3.028 -2.229 3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.444 -5.019 4.516 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.374 -3.728 5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.670 -5.573 2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.127 -2.663 3.469 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.483 -5.712 -0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.315 -2.800 1.323 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.510 -4.321 -0.438 1.00 0.00 H new ATOM 851 N GLY A 52 4.140 -3.236 6.487 1.00 0.00 N ATOM 852 CA GLY A 52 4.397 -2.785 7.842 1.00 0.00 C ATOM 853 C GLY A 52 5.257 -1.538 7.885 1.00 0.00 C ATOM 854 O GLY A 52 4.911 -0.559 8.546 1.00 0.00 O ATOM 0 H GLY A 52 4.513 -4.159 6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.449 -2.586 8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.890 -3.582 8.399 1.00 0.00 H new ATOM 858 N ASP A 53 6.383 -1.574 7.181 1.00 0.00 N ATOM 859 CA ASP A 53 7.297 -0.438 7.142 1.00 0.00 C ATOM 860 C ASP A 53 6.628 0.775 6.504 1.00 0.00 C ATOM 861 O ASP A 53 6.869 1.914 6.907 1.00 0.00 O ATOM 862 CB ASP A 53 8.565 -0.803 6.368 1.00 0.00 C ATOM 863 CG ASP A 53 9.532 -1.627 7.196 1.00 0.00 C ATOM 864 OD1 ASP A 53 9.864 -1.198 8.321 1.00 0.00 O ATOM 865 OD2 ASP A 53 9.957 -2.700 6.719 1.00 0.00 O ATOM 0 H ASP A 53 6.685 -2.377 6.630 1.00 0.00 H new ATOM 0 HA ASP A 53 7.567 -0.184 8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.292 -1.360 5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.061 0.110 6.037 1.00 0.00 H new ATOM 870 N THR A 54 5.787 0.525 5.506 1.00 0.00 N ATOM 871 CA THR A 54 5.085 1.596 4.811 1.00 0.00 C ATOM 872 C THR A 54 4.293 2.458 5.787 1.00 0.00 C ATOM 873 O THR A 54 4.273 3.684 5.672 1.00 0.00 O ATOM 874 CB THR A 54 4.127 1.038 3.741 1.00 0.00 C ATOM 875 OG1 THR A 54 4.865 0.312 2.753 1.00 0.00 O ATOM 876 CG2 THR A 54 3.347 2.162 3.075 1.00 0.00 C ATOM 0 H THR A 54 5.575 -0.411 5.161 1.00 0.00 H new ATOM 0 HA THR A 54 5.844 2.208 4.324 1.00 0.00 H new ATOM 0 HB THR A 54 3.421 0.367 4.231 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.214 -0.515 3.147 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.677 1.744 2.323 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.763 2.694 3.826 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.041 2.854 2.598 1.00 0.00 H new ATOM 884 N ARG A 55 3.642 1.811 6.747 1.00 0.00 N ATOM 885 CA ARG A 55 2.847 2.519 7.743 1.00 0.00 C ATOM 886 C ARG A 55 3.709 3.508 8.523 1.00 0.00 C ATOM 887 O ARG A 55 3.361 4.682 8.653 1.00 0.00 O ATOM 888 CB ARG A 55 2.194 1.526 8.706 1.00 0.00 C ATOM 889 CG ARG A 55 0.998 0.800 8.113 1.00 0.00 C ATOM 890 CD ARG A 55 0.195 0.080 9.185 1.00 0.00 C ATOM 891 NE ARG A 55 -0.274 0.994 10.223 1.00 0.00 N ATOM 892 CZ ARG A 55 -1.289 1.834 10.059 1.00 0.00 C ATOM 893 NH1 ARG A 55 -1.939 1.876 8.903 1.00 0.00 N ATOM 894 NH2 ARG A 55 -1.657 2.635 11.051 1.00 0.00 N ATOM 0 H ARG A 55 3.649 0.797 6.857 1.00 0.00 H new ATOM 0 HA ARG A 55 2.068 3.074 7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.937 0.791 9.016 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.877 2.058 9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.358 1.514 7.595 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.340 0.081 7.369 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.660 -0.416 8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.810 -0.698 9.638 1.00 0.00 H new ATOM 0 HE ARG A 55 0.205 0.987 11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.659 1.262 8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.718 2.522 8.779 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.160 2.606 11.941 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.437 3.280 10.923 1.00 0.00 H new ATOM 908 N TYR A 56 4.833 3.026 9.039 1.00 0.00 N ATOM 909 CA TYR A 56 5.744 3.866 9.808 1.00 0.00 C ATOM 910 C TYR A 56 5.997 5.190 9.095 1.00 0.00 C ATOM 911 O TYR A 56 5.639 6.256 9.596 1.00 0.00 O ATOM 912 CB TYR A 56 7.069 3.138 10.042 1.00 0.00 C ATOM 913 CG TYR A 56 8.250 4.068 10.202 1.00 0.00 C ATOM 914 CD1 TYR A 56 8.222 5.108 11.122 1.00 0.00 C ATOM 915 CD2 TYR A 56 9.396 3.906 9.432 1.00 0.00 C ATOM 916 CE1 TYR A 56 9.298 5.960 11.271 1.00 0.00 C ATOM 917 CE2 TYR A 56 10.478 4.752 9.575 1.00 0.00 C ATOM 918 CZ TYR A 56 10.424 5.778 10.495 1.00 0.00 C ATOM 919 OH TYR A 56 11.500 6.624 10.641 1.00 0.00 O ATOM 0 H TYR A 56 5.136 2.057 8.939 1.00 0.00 H new ATOM 0 HA TYR A 56 5.278 4.076 10.771 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.981 2.519 10.935 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.257 2.466 9.205 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.343 5.253 11.732 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.441 3.105 8.709 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.258 6.764 11.991 1.00 0.00 H new ATOM 0 HE2 TYR A 56 11.361 4.611 8.970 1.00 0.00 H new ATOM 0 HH TYR A 56 12.211 6.358 10.021 1.00 0.00 H new ATOM 929 N ALA A 57 6.615 5.114 7.921 1.00 0.00 N ATOM 930 CA ALA A 57 6.914 6.305 7.136 1.00 0.00 C ATOM 931 C ALA A 57 5.694 7.214 7.031 1.00 0.00 C ATOM 932 O ALA A 57 5.755 8.394 7.378 1.00 0.00 O ATOM 933 CB ALA A 57 7.405 5.914 5.750 1.00 0.00 C ATOM 0 H ALA A 57 6.918 4.240 7.493 1.00 0.00 H new ATOM 0 HA ALA A 57 7.703 6.858 7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.625 6.813 5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.309 5.312 5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.634 5.336 5.240 1.00 0.00 H new ATOM 939 N LEU A 58 4.588 6.658 6.550 1.00 0.00 N ATOM 940 CA LEU A 58 3.353 7.419 6.398 1.00 0.00 C ATOM 941 C LEU A 58 2.998 8.145 7.692 1.00 0.00 C ATOM 942 O LEU A 58 2.992 9.375 7.744 1.00 0.00 O ATOM 943 CB LEU A 58 2.207 6.492 5.990 1.00 0.00 C ATOM 944 CG LEU A 58 0.794 7.043 6.189 1.00 0.00 C ATOM 945 CD1 LEU A 58 0.401 7.937 5.024 1.00 0.00 C ATOM 946 CD2 LEU A 58 -0.204 5.906 6.352 1.00 0.00 C ATOM 0 H LEU A 58 4.521 5.683 6.258 1.00 0.00 H new ATOM 0 HA LEU A 58 3.507 8.163 5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.331 6.236 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.297 5.565 6.556 1.00 0.00 H new ATOM 0 HG LEU A 58 0.783 7.642 7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.607 8.320 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.099 8.771 4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.429 7.362 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.204 6.317 6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.191 5.280 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.067 5.306 7.221 1.00 0.00 H new ATOM 958 N LYS A 59 2.706 7.376 8.735 1.00 0.00 N ATOM 959 CA LYS A 59 2.354 7.945 10.031 1.00 0.00 C ATOM 960 C LYS A 59 3.214 9.166 10.341 1.00 0.00 C ATOM 961 O LYS A 59 2.728 10.156 10.888 1.00 0.00 O ATOM 962 CB LYS A 59 2.521 6.897 11.133 1.00 0.00 C ATOM 963 CG LYS A 59 2.407 7.466 12.536 1.00 0.00 C ATOM 964 CD LYS A 59 3.754 7.940 13.057 1.00 0.00 C ATOM 965 CE LYS A 59 3.840 7.820 14.571 1.00 0.00 C ATOM 966 NZ LYS A 59 3.735 6.405 15.021 1.00 0.00 N ATOM 0 H LYS A 59 2.706 6.356 8.708 1.00 0.00 H new ATOM 0 HA LYS A 59 1.311 8.258 9.991 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.767 6.121 11.002 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.494 6.418 11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.703 8.298 12.536 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.004 6.707 13.206 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.550 7.353 12.599 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.914 8.977 12.764 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.784 8.242 14.916 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.043 8.407 15.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.259 6.284 15.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.735 6.162 15.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.137 5.779 14.295 1.00 0.00 H new ATOM 980 N HIS A 60 4.493 9.089 9.986 1.00 0.00 N ATOM 981 CA HIS A 60 5.420 10.189 10.225 1.00 0.00 C ATOM 982 C HIS A 60 5.265 11.271 9.160 1.00 0.00 C ATOM 983 O HIS A 60 5.437 12.457 9.436 1.00 0.00 O ATOM 984 CB HIS A 60 6.860 9.676 10.241 1.00 0.00 C ATOM 985 CG HIS A 60 7.262 9.063 11.547 1.00 0.00 C ATOM 986 ND1 HIS A 60 6.939 7.871 12.102 1.00 0.00 N flip ATOM 987 CD2 HIS A 60 8.095 9.691 12.449 1.00 0.00 C flip ATOM 988 CE1 HIS A 60 7.577 7.801 13.316 1.00 0.00 C flip ATOM 989 NE2 HIS A 60 8.269 8.912 13.501 1.00 0.00 N flip ATOM 0 H HIS A 60 4.911 8.277 9.532 1.00 0.00 H new ATOM 0 HA HIS A 60 5.186 10.624 11.197 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.983 8.937 9.449 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.534 10.502 10.014 1.00 0.00 H new ATOM 0 HD2 HIS A 60 8.536 10.668 12.316 1.00 0.00 H new ATOM 0 HE1 HIS A 60 7.522 6.973 14.007 1.00 0.00 H new ATOM 0 HE2 HIS A 60 8.840 9.130 14.317 1.00 0.00 H new ATOM 998 N GLY A 61 4.939 10.852 7.940 1.00 0.00 N ATOM 999 CA GLY A 61 4.768 11.797 6.853 1.00 0.00 C ATOM 1000 C GLY A 61 5.901 11.737 5.848 1.00 0.00 C ATOM 1001 O GLY A 61 6.382 12.771 5.384 1.00 0.00 O ATOM 0 H GLY A 61 4.791 9.875 7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.825 11.595 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.701 12.806 7.260 1.00 0.00 H new ATOM 1005 N GLN A 62 6.330 10.525 5.514 1.00 0.00 N ATOM 1006 CA GLN A 62 7.416 10.335 4.560 1.00 0.00 C ATOM 1007 C GLN A 62 6.872 10.030 3.168 1.00 0.00 C ATOM 1008 O GLN A 62 7.303 10.621 2.178 1.00 0.00 O ATOM 1009 CB GLN A 62 8.336 9.203 5.020 1.00 0.00 C ATOM 1010 CG GLN A 62 9.332 9.625 6.089 1.00 0.00 C ATOM 1011 CD GLN A 62 9.918 10.999 5.831 1.00 0.00 C ATOM 1012 OE1 GLN A 62 10.698 11.189 4.897 1.00 0.00 O ATOM 1013 NE2 GLN A 62 9.543 11.968 6.659 1.00 0.00 N ATOM 0 H GLN A 62 5.942 9.660 5.890 1.00 0.00 H new ATOM 0 HA GLN A 62 7.988 11.261 4.511 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.727 8.385 5.405 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.882 8.817 4.159 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.839 9.621 7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.139 8.893 6.138 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.894 11.766 7.420 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.904 12.914 6.534 1.00 0.00 H new ATOM 1022 N LEU A 63 5.922 9.103 3.101 1.00 0.00 N ATOM 1023 CA LEU A 63 5.318 8.718 1.830 1.00 0.00 C ATOM 1024 C LEU A 63 4.975 9.948 0.995 1.00 0.00 C ATOM 1025 O LEU A 63 4.072 10.712 1.338 1.00 0.00 O ATOM 1026 CB LEU A 63 4.059 7.885 2.073 1.00 0.00 C ATOM 1027 CG LEU A 63 4.262 6.372 2.167 1.00 0.00 C ATOM 1028 CD1 LEU A 63 5.309 6.039 3.218 1.00 0.00 C ATOM 1029 CD2 LEU A 63 2.946 5.676 2.481 1.00 0.00 C ATOM 0 H LEU A 63 5.554 8.605 3.911 1.00 0.00 H new ATOM 0 HA LEU A 63 6.042 8.118 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.594 8.227 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.353 8.087 1.268 1.00 0.00 H new ATOM 0 HG LEU A 63 4.619 6.011 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.440 4.958 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.256 6.507 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.982 6.413 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.109 4.600 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.559 6.041 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.225 5.888 1.691 1.00 0.00 H new ATOM 1041 N LYS A 64 5.699 10.132 -0.103 1.00 0.00 N ATOM 1042 CA LYS A 64 5.471 11.267 -0.990 1.00 0.00 C ATOM 1043 C LYS A 64 4.269 11.016 -1.895 1.00 0.00 C ATOM 1044 O LYS A 64 3.691 11.952 -2.448 1.00 0.00 O ATOM 1045 CB LYS A 64 6.715 11.536 -1.839 1.00 0.00 C ATOM 1046 CG LYS A 64 6.947 10.498 -2.923 1.00 0.00 C ATOM 1047 CD LYS A 64 6.256 10.882 -4.221 1.00 0.00 C ATOM 1048 CE LYS A 64 7.071 11.896 -5.008 1.00 0.00 C ATOM 1049 NZ LYS A 64 6.803 13.291 -4.560 1.00 0.00 N ATOM 0 H LYS A 64 6.450 9.509 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 64 5.264 12.142 -0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.623 12.518 -2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.588 11.571 -1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.017 10.387 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.577 9.530 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.099 9.990 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.272 11.296 -4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.132 11.676 -4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.838 11.804 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.797 13.925 -5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.879 13.332 -4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.546 13.592 -3.898 1.00 0.00 H new ATOM 1063 N TRP A 65 3.898 9.749 -2.040 1.00 0.00 N ATOM 1064 CA TRP A 65 2.763 9.377 -2.877 1.00 0.00 C ATOM 1065 C TRP A 65 1.477 9.323 -2.060 1.00 0.00 C ATOM 1066 O TRP A 65 0.392 9.594 -2.573 1.00 0.00 O ATOM 1067 CB TRP A 65 3.016 8.023 -3.542 1.00 0.00 C ATOM 1068 CG TRP A 65 3.675 7.029 -2.634 1.00 0.00 C ATOM 1069 CD1 TRP A 65 5.006 6.941 -2.343 1.00 0.00 C ATOM 1070 CD2 TRP A 65 3.031 5.981 -1.900 1.00 0.00 C ATOM 1071 NE1 TRP A 65 5.229 5.901 -1.472 1.00 0.00 N ATOM 1072 CE2 TRP A 65 4.034 5.297 -1.185 1.00 0.00 C ATOM 1073 CE3 TRP A 65 1.706 5.556 -1.776 1.00 0.00 C ATOM 1074 CZ2 TRP A 65 3.750 4.212 -0.360 1.00 0.00 C ATOM 1075 CZ3 TRP A 65 1.426 4.478 -0.957 1.00 0.00 C ATOM 1076 CH2 TRP A 65 2.444 3.817 -0.257 1.00 0.00 C ATOM 0 H TRP A 65 4.366 8.963 -1.589 1.00 0.00 H new ATOM 0 HA TRP A 65 2.649 10.138 -3.649 1.00 0.00 H new ATOM 0 HB2 TRP A 65 2.067 7.614 -3.889 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.641 8.170 -4.423 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.771 7.592 -2.739 1.00 0.00 H new ATOM 0 HE1 TRP A 65 6.137 5.624 -1.100 1.00 0.00 H new ATOM 0 HE3 TRP A 65 0.915 6.061 -2.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.533 3.700 0.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.405 4.140 -0.855 1.00 0.00 H new ATOM 0 HH2 TRP A 65 2.193 2.979 0.376 1.00 0.00 H new ATOM 1087 N PHE A 66 1.607 8.972 -0.784 1.00 0.00 N ATOM 1088 CA PHE A 66 0.454 8.881 0.104 1.00 0.00 C ATOM 1089 C PHE A 66 0.027 10.266 0.583 1.00 0.00 C ATOM 1090 O PHE A 66 0.865 11.118 0.879 1.00 0.00 O ATOM 1091 CB PHE A 66 0.778 7.991 1.306 1.00 0.00 C ATOM 1092 CG PHE A 66 -0.429 7.323 1.900 1.00 0.00 C ATOM 1093 CD1 PHE A 66 -1.445 8.076 2.467 1.00 0.00 C ATOM 1094 CD2 PHE A 66 -0.547 5.943 1.893 1.00 0.00 C ATOM 1095 CE1 PHE A 66 -2.557 7.465 3.014 1.00 0.00 C ATOM 1096 CE2 PHE A 66 -1.657 5.326 2.438 1.00 0.00 C ATOM 1097 CZ PHE A 66 -2.662 6.088 3.001 1.00 0.00 C ATOM 0 H PHE A 66 2.498 8.746 -0.343 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.370 8.438 -0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.493 7.227 1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.264 8.593 2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.367 9.153 2.481 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.237 5.342 1.457 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.343 8.063 3.451 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.739 4.249 2.424 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.529 5.608 3.430 1.00 0.00 H new ATOM 1107 N ARG A 67 -1.282 10.482 0.656 1.00 0.00 N ATOM 1108 CA ARG A 67 -1.822 11.763 1.097 1.00 0.00 C ATOM 1109 C ARG A 67 -1.067 12.279 2.318 1.00 0.00 C ATOM 1110 O ARG A 67 -0.794 11.529 3.255 1.00 0.00 O ATOM 1111 CB ARG A 67 -3.310 11.628 1.423 1.00 0.00 C ATOM 1112 CG ARG A 67 -4.152 11.164 0.246 1.00 0.00 C ATOM 1113 CD ARG A 67 -4.531 12.324 -0.660 1.00 0.00 C ATOM 1114 NE ARG A 67 -5.623 11.978 -1.566 1.00 0.00 N ATOM 1115 CZ ARG A 67 -5.491 11.141 -2.590 1.00 0.00 C ATOM 1116 NH1 ARG A 67 -4.321 10.570 -2.836 1.00 0.00 N ATOM 1117 NH2 ARG A 67 -6.532 10.876 -3.369 1.00 0.00 N ATOM 0 H ARG A 67 -1.989 9.787 0.416 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.699 12.480 0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.431 10.923 2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.686 12.590 1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.599 10.419 -0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.056 10.678 0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.823 13.179 -0.051 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.661 12.629 -1.241 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.537 12.402 -1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.519 10.772 -2.239 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.222 9.928 -3.622 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.434 11.315 -3.182 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.431 10.234 -4.155 1.00 0.00 H new ATOM 1131 N ASP A 68 -0.732 13.565 2.300 1.00 0.00 N ATOM 1132 CA ASP A 68 -0.009 14.182 3.406 1.00 0.00 C ATOM 1133 C ASP A 68 -0.974 14.854 4.379 1.00 0.00 C ATOM 1134 O ASP A 68 -2.069 15.265 3.997 1.00 0.00 O ATOM 1135 CB ASP A 68 0.997 15.206 2.878 1.00 0.00 C ATOM 1136 CG ASP A 68 2.108 14.562 2.071 1.00 0.00 C ATOM 1137 OD1 ASP A 68 1.858 13.506 1.455 1.00 0.00 O ATOM 1138 OD2 ASP A 68 3.228 15.115 2.056 1.00 0.00 O ATOM 0 H ASP A 68 -0.950 14.200 1.532 1.00 0.00 H new ATOM 0 HA ASP A 68 0.528 13.397 3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.477 15.936 2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.430 15.752 3.716 1.00 0.00 H new ATOM 1143 N ASN A 69 -0.559 14.960 5.637 1.00 0.00 N ATOM 1144 CA ASN A 69 -1.387 15.580 6.665 1.00 0.00 C ATOM 1145 C ASN A 69 -1.894 16.944 6.205 1.00 0.00 C ATOM 1146 O ASN A 69 -3.091 17.224 6.260 1.00 0.00 O ATOM 1147 CB ASN A 69 -0.596 15.729 7.966 1.00 0.00 C ATOM 1148 CG ASN A 69 -1.486 16.059 9.149 1.00 0.00 C ATOM 1149 OD1 ASN A 69 -1.368 17.127 9.749 1.00 0.00 O ATOM 1150 ND2 ASN A 69 -2.381 15.139 9.490 1.00 0.00 N ATOM 0 H ASN A 69 0.345 14.625 5.969 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.246 14.934 6.843 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.056 14.804 8.168 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.151 16.514 7.846 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.007 15.304 10.279 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.443 14.268 8.963 1.00 0.00 H new ATOM 1157 N ALA A 70 -0.973 17.789 5.752 1.00 0.00 N ATOM 1158 CA ALA A 70 -1.326 19.122 5.281 1.00 0.00 C ATOM 1159 C ALA A 70 -2.200 19.050 4.033 1.00 0.00 C ATOM 1160 O ALA A 70 -3.229 19.719 3.944 1.00 0.00 O ATOM 1161 CB ALA A 70 -0.070 19.933 5.002 1.00 0.00 C ATOM 0 H ALA A 70 0.023 17.574 5.702 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.898 19.618 6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.349 20.926 4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.516 20.023 5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.524 19.432 4.238 1.00 0.00 H new ATOM 1167 N SER A 71 -1.781 18.235 3.070 1.00 0.00 N ATOM 1168 CA SER A 71 -2.523 18.079 1.824 1.00 0.00 C ATOM 1169 C SER A 71 -3.564 16.970 1.947 1.00 0.00 C ATOM 1170 O SER A 71 -3.238 15.787 1.871 1.00 0.00 O ATOM 1171 CB SER A 71 -1.567 17.771 0.671 1.00 0.00 C ATOM 1172 OG SER A 71 -2.276 17.552 -0.536 1.00 0.00 O ATOM 0 H SER A 71 -0.932 17.673 3.129 1.00 0.00 H new ATOM 0 HA SER A 71 -3.039 19.017 1.617 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.870 18.599 0.542 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.973 16.889 0.913 1.00 0.00 H new ATOM 0 HG SER A 71 -1.642 17.359 -1.258 1.00 0.00 H new ATOM 1178 N GLY A 72 -4.820 17.364 2.138 1.00 0.00 N ATOM 1179 CA GLY A 72 -5.890 16.393 2.269 1.00 0.00 C ATOM 1180 C GLY A 72 -7.052 16.682 1.340 1.00 0.00 C ATOM 1181 O GLY A 72 -7.269 17.818 0.918 1.00 0.00 O ATOM 0 H GLY A 72 -5.115 18.338 2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.500 15.397 2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.246 16.386 3.299 1.00 0.00 H new ATOM 1185 N PRO A 73 -7.823 15.636 1.006 1.00 0.00 N ATOM 1186 CA PRO A 73 -8.981 15.758 0.117 1.00 0.00 C ATOM 1187 C PRO A 73 -10.131 16.524 0.763 1.00 0.00 C ATOM 1188 O PRO A 73 -11.161 16.764 0.134 1.00 0.00 O ATOM 1189 CB PRO A 73 -9.385 14.305 -0.142 1.00 0.00 C ATOM 1190 CG PRO A 73 -8.884 13.556 1.045 1.00 0.00 C ATOM 1191 CD PRO A 73 -7.622 14.254 1.472 1.00 0.00 C ATOM 0 HA PRO A 73 -8.742 16.316 -0.788 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.466 14.207 -0.245 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.941 13.929 -1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.622 13.558 1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.688 12.513 0.794 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.484 14.210 2.552 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.740 13.802 1.020 1.00 0.00 H new ATOM 1199 N SER A 74 -9.947 16.904 2.024 1.00 0.00 N ATOM 1200 CA SER A 74 -10.971 17.640 2.757 1.00 0.00 C ATOM 1201 C SER A 74 -11.000 19.103 2.327 1.00 0.00 C ATOM 1202 O SER A 74 -10.927 20.008 3.160 1.00 0.00 O ATOM 1203 CB SER A 74 -10.718 17.543 4.263 1.00 0.00 C ATOM 1204 OG SER A 74 -11.105 16.276 4.765 1.00 0.00 O ATOM 0 H SER A 74 -9.099 16.715 2.559 1.00 0.00 H new ATOM 0 HA SER A 74 -11.939 17.194 2.529 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.661 17.712 4.469 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.272 18.327 4.779 1.00 0.00 H new ATOM 0 HG SER A 74 -10.932 16.239 5.729 1.00 0.00 H new ATOM 1210 N SER A 75 -11.108 19.328 1.022 1.00 0.00 N ATOM 1211 CA SER A 75 -11.144 20.682 0.480 1.00 0.00 C ATOM 1212 C SER A 75 -12.361 20.875 -0.419 1.00 0.00 C ATOM 1213 O SER A 75 -12.775 19.959 -1.129 1.00 0.00 O ATOM 1214 CB SER A 75 -9.864 20.973 -0.306 1.00 0.00 C ATOM 1215 OG SER A 75 -9.694 22.365 -0.506 1.00 0.00 O ATOM 0 H SER A 75 -11.172 18.591 0.320 1.00 0.00 H new ATOM 0 HA SER A 75 -11.216 21.379 1.315 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.005 20.572 0.231 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.902 20.466 -1.270 1.00 0.00 H new ATOM 0 HG SER A 75 -8.868 22.525 -1.009 1.00 0.00 H new ATOM 1221 N GLY A 76 -12.931 22.076 -0.383 1.00 0.00 N ATOM 1222 CA GLY A 76 -14.095 22.369 -1.198 1.00 0.00 C ATOM 1223 C GLY A 76 -15.250 21.427 -0.920 1.00 0.00 C ATOM 1224 O GLY A 76 -16.082 21.693 -0.053 1.00 0.00 O ATOM 0 H GLY A 76 -12.607 22.851 0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.415 23.395 -1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.823 22.304 -2.251 1.00 0.00 H new TER 1228 GLY A 76