USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 653 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 56 SER OG : rot -22:sc= 1.15 USER MOD Set 1.2: A 101 MET CE :methyl -176:sc= 0 (180deg=-0.0295) USER MOD Single : A 5 TYR OH : rot -55:sc= 1.29 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.063 X(o=-0.063,f=-0.11) USER MOD Single : A 8 THR OG1 : rot -108:sc= 1.19 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0901 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 150:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.427 K(o=0.43,f=-7.8!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0.29 K(o=0.29,f=-8.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.635 K(o=-0.64,f=-3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0.846 (180deg=0.846) USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 0.946 (180deg=0.946) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.18) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -32:sc= 0.00524 USER MOD Single : A 92 TYR OH : rot 30:sc= -0.141 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 49 N ASP A 4 6.974 2.930 -4.575 1.00 0.00 N ATOM 50 CA ASP A 4 7.611 4.206 -4.877 1.00 0.00 C ATOM 51 C ASP A 4 8.026 4.282 -6.340 1.00 0.00 C ATOM 52 O ASP A 4 9.043 3.712 -6.738 1.00 0.00 O ATOM 53 CB ASP A 4 8.834 4.420 -3.982 1.00 0.00 C ATOM 54 CG ASP A 4 9.524 5.755 -4.229 1.00 0.00 C ATOM 55 OD1 ASP A 4 9.456 6.240 -5.334 1.00 0.00 O ATOM 56 OD2 ASP A 4 10.111 6.276 -3.312 1.00 0.00 O1- ATOM 0 HA ASP A 4 6.882 4.993 -4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.528 4.363 -2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.546 3.612 -4.150 1.00 0.00 H new ATOM 61 N TYR A 5 7.235 4.989 -7.139 1.00 0.00 N ATOM 62 CA TYR A 5 7.428 5.014 -8.583 1.00 0.00 C ATOM 63 C TYR A 5 8.854 5.411 -8.942 1.00 0.00 C ATOM 64 O TYR A 5 9.448 4.859 -9.869 1.00 0.00 O ATOM 65 CB TYR A 5 6.431 5.970 -9.242 1.00 0.00 C ATOM 66 CG TYR A 5 4.999 5.484 -9.198 1.00 0.00 C ATOM 67 CD1 TYR A 5 4.661 4.391 -8.413 1.00 0.00 C ATOM 68 CD2 TYR A 5 4.024 6.131 -9.942 1.00 0.00 C ATOM 69 CE1 TYR A 5 3.353 3.947 -8.374 1.00 0.00 C ATOM 70 CE2 TYR A 5 2.717 5.687 -9.902 1.00 0.00 C ATOM 71 CZ TYR A 5 2.380 4.600 -9.121 1.00 0.00 C ATOM 72 OH TYR A 5 1.078 4.158 -9.082 1.00 0.00 O ATOM 0 H TYR A 5 6.452 5.554 -6.809 1.00 0.00 H new ATOM 0 HA TYR A 5 7.251 4.007 -8.960 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.491 6.940 -8.748 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.721 6.123 -10.281 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.420 3.887 -7.833 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.287 6.982 -10.553 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.088 3.095 -7.765 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.958 6.191 -10.482 1.00 0.00 H new ATOM 0 HH TYR A 5 1.047 3.210 -9.328 1.00 0.00 H new ATOM 82 N TYR A 6 9.400 6.369 -8.201 1.00 0.00 N ATOM 83 CA TYR A 6 10.711 6.926 -8.512 1.00 0.00 C ATOM 84 C TYR A 6 11.825 5.972 -8.101 1.00 0.00 C ATOM 85 O TYR A 6 12.889 5.941 -8.720 1.00 0.00 O ATOM 86 CB TYR A 6 10.894 8.282 -7.827 1.00 0.00 C ATOM 87 CG TYR A 6 9.929 9.343 -8.308 1.00 0.00 C ATOM 88 CD1 TYR A 6 8.876 9.742 -7.497 1.00 0.00 C ATOM 89 CD2 TYR A 6 10.098 9.918 -9.559 1.00 0.00 C ATOM 90 CE1 TYR A 6 7.996 10.711 -7.937 1.00 0.00 C ATOM 91 CE2 TYR A 6 9.217 10.888 -9.997 1.00 0.00 C ATOM 92 CZ TYR A 6 8.170 11.284 -9.190 1.00 0.00 C ATOM 93 OH TYR A 6 7.292 12.249 -9.628 1.00 0.00 O ATOM 0 H TYR A 6 8.954 6.777 -7.379 1.00 0.00 H new ATOM 0 HA TYR A 6 10.767 7.068 -9.591 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.773 8.155 -6.751 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.914 8.629 -7.994 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.745 9.295 -6.523 1.00 0.00 H new ATOM 0 HD2 TYR A 6 10.918 9.608 -10.190 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.175 11.022 -7.308 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.348 11.336 -10.971 1.00 0.00 H new ATOM 0 HH TYR A 6 7.554 12.548 -10.524 1.00 0.00 H new ATOM 103 N GLN A 7 11.575 5.193 -7.054 1.00 0.00 N ATOM 104 CA GLN A 7 12.463 4.098 -6.684 1.00 0.00 C ATOM 105 C GLN A 7 12.343 2.937 -7.664 1.00 0.00 C ATOM 106 O GLN A 7 13.301 2.195 -7.882 1.00 0.00 O ATOM 107 CB GLN A 7 12.156 3.617 -5.263 1.00 0.00 C ATOM 108 CG GLN A 7 13.124 2.569 -4.739 1.00 0.00 C ATOM 109 CD GLN A 7 14.543 3.095 -4.627 1.00 0.00 C ATOM 110 OE1 GLN A 7 14.780 4.163 -4.055 1.00 0.00 O ATOM 111 NE2 GLN A 7 15.495 2.349 -5.174 1.00 0.00 N ATOM 0 H GLN A 7 10.763 5.300 -6.446 1.00 0.00 H new ATOM 0 HA GLN A 7 13.486 4.472 -6.720 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.167 4.475 -4.590 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.146 3.207 -5.240 1.00 0.00 H new ATOM 0 HG2 GLN A 7 12.789 2.226 -3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.112 1.704 -5.402 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.253 1.473 -5.637 1.00 0.00 H new ATOM 0 HE22 GLN A 7 16.468 2.652 -5.131 1.00 0.00 H new ATOM 120 N THR A 8 11.161 2.785 -8.251 1.00 0.00 N ATOM 121 CA THR A 8 10.935 1.759 -9.262 1.00 0.00 C ATOM 122 C THR A 8 11.566 2.148 -10.593 1.00 0.00 C ATOM 123 O THR A 8 12.095 1.300 -11.311 1.00 0.00 O ATOM 124 CB THR A 8 9.430 1.499 -9.460 1.00 0.00 C ATOM 125 OG1 THR A 8 8.852 1.057 -8.224 1.00 0.00 O ATOM 126 CG2 THR A 8 9.208 0.437 -10.526 1.00 0.00 C ATOM 0 H THR A 8 10.344 3.360 -8.044 1.00 0.00 H new ATOM 0 HA THR A 8 11.407 0.844 -8.904 1.00 0.00 H new ATOM 0 HB THR A 8 8.956 2.427 -9.781 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.636 0.103 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.139 0.266 -10.652 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.636 0.774 -11.470 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.690 -0.492 -10.220 1.00 0.00 H new ATOM 134 N LEU A 9 11.507 3.435 -10.917 1.00 0.00 N ATOM 135 CA LEU A 9 12.097 3.943 -12.149 1.00 0.00 C ATOM 136 C LEU A 9 13.607 4.091 -12.017 1.00 0.00 C ATOM 137 O LEU A 9 14.342 3.950 -12.994 1.00 0.00 O ATOM 138 CB LEU A 9 11.475 5.297 -12.516 1.00 0.00 C ATOM 139 CG LEU A 9 10.007 5.256 -12.960 1.00 0.00 C ATOM 140 CD1 LEU A 9 9.486 6.677 -13.123 1.00 0.00 C ATOM 141 CD2 LEU A 9 9.892 4.478 -14.263 1.00 0.00 C ATOM 0 H LEU A 9 11.056 4.146 -10.342 1.00 0.00 H new ATOM 0 HA LEU A 9 11.890 3.222 -12.940 1.00 0.00 H new ATOM 0 HB2 LEU A 9 11.556 5.959 -11.654 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.065 5.742 -13.317 1.00 0.00 H new ATOM 0 HG LEU A 9 9.403 4.753 -12.205 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.443 6.648 -13.438 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.563 7.204 -12.172 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.078 7.198 -13.875 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.849 4.449 -14.579 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.490 4.966 -15.032 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.254 3.461 -14.113 1.00 0.00 H new ATOM 153 N GLY A 10 14.065 4.375 -10.803 1.00 0.00 N ATOM 154 CA GLY A 10 15.493 4.431 -10.515 1.00 0.00 C ATOM 155 C GLY A 10 16.029 5.849 -10.659 1.00 0.00 C ATOM 156 O GLY A 10 17.032 6.080 -11.334 1.00 0.00 O ATOM 0 H GLY A 10 13.466 4.570 -10.001 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.677 4.071 -9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.029 3.766 -11.192 1.00 0.00 H new ATOM 160 N LEU A 11 15.355 6.799 -10.019 1.00 0.00 N ATOM 161 CA LEU A 11 15.820 8.180 -9.986 1.00 0.00 C ATOM 162 C LEU A 11 15.244 8.927 -8.790 1.00 0.00 C ATOM 163 O LEU A 11 14.481 8.365 -8.003 1.00 0.00 O ATOM 164 CB LEU A 11 15.431 8.902 -11.282 1.00 0.00 C ATOM 165 CG LEU A 11 13.958 9.315 -11.397 1.00 0.00 C ATOM 166 CD1 LEU A 11 13.757 10.130 -12.668 1.00 0.00 C ATOM 167 CD2 LEU A 11 13.081 8.072 -11.401 1.00 0.00 C ATOM 0 H LEU A 11 14.483 6.637 -9.515 1.00 0.00 H new ATOM 0 HA LEU A 11 16.906 8.164 -9.892 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.048 9.795 -11.378 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.674 8.254 -12.124 1.00 0.00 H new ATOM 0 HG LEU A 11 13.676 9.932 -10.544 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.711 10.424 -12.750 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.382 11.022 -12.631 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.034 9.528 -13.534 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.034 8.365 -11.483 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.348 7.441 -12.249 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.231 7.518 -10.475 1.00 0.00 H new ATOM 179 N ALA A 12 15.614 10.196 -8.658 1.00 0.00 N ATOM 180 CA ALA A 12 15.203 10.999 -7.511 1.00 0.00 C ATOM 181 C ALA A 12 13.755 11.452 -7.648 1.00 0.00 C ATOM 182 O ALA A 12 13.262 11.663 -8.755 1.00 0.00 O ATOM 183 CB ALA A 12 16.121 12.201 -7.350 1.00 0.00 C ATOM 0 H ALA A 12 16.198 10.692 -9.331 1.00 0.00 H new ATOM 0 HA ALA A 12 15.279 10.377 -6.619 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.802 12.790 -6.490 1.00 0.00 H new ATOM 0 HB2 ALA A 12 17.144 11.859 -7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 12 16.076 12.816 -8.249 1.00 0.00 H new ATOM 189 N ARG A 13 13.078 11.601 -6.513 1.00 0.00 N ATOM 190 CA ARG A 13 11.675 11.999 -6.505 1.00 0.00 C ATOM 191 C ARG A 13 11.502 13.416 -7.033 1.00 0.00 C ATOM 192 O ARG A 13 10.405 13.812 -7.428 1.00 0.00 O ATOM 193 CB ARG A 13 11.103 11.910 -5.099 1.00 0.00 C ATOM 194 CG ARG A 13 10.979 10.499 -4.546 1.00 0.00 C ATOM 195 CD ARG A 13 10.474 10.499 -3.148 1.00 0.00 C ATOM 196 NE ARG A 13 10.345 9.151 -2.618 1.00 0.00 N ATOM 197 CZ ARG A 13 10.148 8.856 -1.318 1.00 0.00 C ATOM 198 NH1 ARG A 13 10.059 9.821 -0.431 1.00 0.00 N1+ ATOM 199 NH2 ARG A 13 10.042 7.595 -0.936 1.00 0.00 N ATOM 0 H ARG A 13 13.479 11.452 -5.587 1.00 0.00 H new ATOM 0 HA ARG A 13 11.135 11.314 -7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.734 12.493 -4.428 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.117 12.375 -5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.305 9.919 -5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.951 10.007 -4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.152 11.074 -2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.505 10.998 -3.112 1.00 0.00 H new ATOM 0 HE ARG A 13 10.408 8.374 -3.276 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.139 10.794 -0.726 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.910 9.597 0.553 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.109 6.846 -1.625 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.893 7.371 0.048 1.00 0.00 H new ATOM 213 N GLY A 14 12.591 14.178 -7.038 1.00 0.00 N ATOM 214 CA GLY A 14 12.545 15.577 -7.446 1.00 0.00 C ATOM 215 C GLY A 14 13.204 15.775 -8.806 1.00 0.00 C ATOM 216 O GLY A 14 13.609 16.884 -9.154 1.00 0.00 O ATOM 0 H GLY A 14 13.517 13.849 -6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.509 15.913 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.049 16.193 -6.701 1.00 0.00 H new ATOM 220 N ALA A 15 13.310 14.694 -9.569 1.00 0.00 N ATOM 221 CA ALA A 15 13.918 14.747 -10.894 1.00 0.00 C ATOM 222 C ALA A 15 12.979 15.394 -11.905 1.00 0.00 C ATOM 223 O ALA A 15 11.895 15.857 -11.551 1.00 0.00 O ATOM 224 CB ALA A 15 14.310 13.350 -11.354 1.00 0.00 C ATOM 0 H ALA A 15 12.982 13.768 -9.293 1.00 0.00 H new ATOM 0 HA ALA A 15 14.816 15.361 -10.828 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.762 13.406 -12.344 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.026 12.923 -10.652 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.423 12.718 -11.396 1.00 0.00 H new ATOM 230 N SER A 16 13.402 15.421 -13.164 1.00 0.00 N ATOM 231 CA SER A 16 12.632 16.072 -14.216 1.00 0.00 C ATOM 232 C SER A 16 11.938 15.048 -15.105 1.00 0.00 C ATOM 233 O SER A 16 12.259 13.861 -15.068 1.00 0.00 O ATOM 234 CB SER A 16 13.537 16.952 -15.057 1.00 0.00 C ATOM 235 OG SER A 16 14.424 16.180 -15.818 1.00 0.00 O ATOM 0 H SER A 16 14.275 14.999 -13.481 1.00 0.00 H new ATOM 0 HA SER A 16 11.868 16.687 -13.741 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.933 17.575 -15.717 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.099 17.625 -14.410 1.00 0.00 H new ATOM 0 HG SER A 16 14.995 16.770 -16.353 1.00 0.00 H new ATOM 241 N ASP A 17 10.983 15.514 -15.902 1.00 0.00 N ATOM 242 CA ASP A 17 10.258 14.643 -16.820 1.00 0.00 C ATOM 243 C ASP A 17 11.197 14.014 -17.841 1.00 0.00 C ATOM 244 O ASP A 17 10.980 12.887 -18.285 1.00 0.00 O ATOM 245 CB ASP A 17 9.156 15.423 -17.542 1.00 0.00 C ATOM 246 CG ASP A 17 7.970 15.745 -16.644 1.00 0.00 C ATOM 247 OD1 ASP A 17 7.821 15.095 -15.635 1.00 0.00 O ATOM 248 OD2 ASP A 17 7.225 16.636 -16.973 1.00 0.00 O1- ATOM 0 H ASP A 17 10.692 16.491 -15.931 1.00 0.00 H new ATOM 0 HA ASP A 17 9.805 13.846 -16.231 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.572 16.352 -17.932 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.810 14.844 -18.398 1.00 0.00 H new ATOM 253 N GLU A 18 12.240 14.750 -18.210 1.00 0.00 N ATOM 254 CA GLU A 18 13.255 14.236 -19.121 1.00 0.00 C ATOM 255 C GLU A 18 14.030 13.086 -18.491 1.00 0.00 C ATOM 256 O GLU A 18 14.237 12.046 -19.119 1.00 0.00 O ATOM 257 CB GLU A 18 14.221 15.351 -19.527 1.00 0.00 C ATOM 258 CG GLU A 18 15.290 14.925 -20.523 1.00 0.00 C ATOM 259 CD GLU A 18 16.172 16.064 -20.957 1.00 0.00 C ATOM 260 OE1 GLU A 18 15.965 17.160 -20.496 1.00 0.00 O ATOM 261 OE2 GLU A 18 17.054 15.836 -21.752 1.00 0.00 O1- ATOM 0 H GLU A 18 12.404 15.705 -17.892 1.00 0.00 H new ATOM 0 HA GLU A 18 12.746 13.861 -20.009 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.648 16.173 -19.957 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.709 15.736 -18.632 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.906 14.145 -20.076 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.810 14.489 -21.399 1.00 0.00 H new ATOM 268 N GLU A 19 14.456 13.277 -17.247 1.00 0.00 N ATOM 269 CA GLU A 19 15.173 12.240 -16.514 1.00 0.00 C ATOM 270 C GLU A 19 14.261 11.062 -16.195 1.00 0.00 C ATOM 271 O GLU A 19 14.710 9.917 -16.131 1.00 0.00 O ATOM 272 CB GLU A 19 15.760 12.810 -15.221 1.00 0.00 C ATOM 273 CG GLU A 19 16.905 13.790 -15.429 1.00 0.00 C ATOM 274 CD GLU A 19 18.071 13.181 -16.159 1.00 0.00 C ATOM 275 OE1 GLU A 19 18.391 12.048 -15.889 1.00 0.00 O ATOM 276 OE2 GLU A 19 18.642 13.850 -16.987 1.00 0.00 O1- ATOM 0 H GLU A 19 14.317 14.142 -16.725 1.00 0.00 H new ATOM 0 HA GLU A 19 15.985 11.883 -17.148 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.966 13.310 -14.666 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.112 11.985 -14.601 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.542 14.652 -15.989 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.242 14.159 -14.460 1.00 0.00 H new ATOM 283 N ILE A 20 12.980 11.349 -15.994 1.00 0.00 N ATOM 284 CA ILE A 20 11.978 10.303 -15.821 1.00 0.00 C ATOM 285 C ILE A 20 11.823 9.475 -17.090 1.00 0.00 C ATOM 286 O ILE A 20 11.683 8.253 -17.031 1.00 0.00 O ATOM 287 CB ILE A 20 10.617 10.907 -15.430 1.00 0.00 C ATOM 288 CG1 ILE A 20 10.666 11.454 -14.002 1.00 0.00 C ATOM 289 CG2 ILE A 20 9.516 9.866 -15.567 1.00 0.00 C ATOM 290 CD1 ILE A 20 9.487 12.330 -13.643 1.00 0.00 C ATOM 0 H ILE A 20 12.610 12.298 -15.947 1.00 0.00 H new ATOM 0 HA ILE A 20 12.322 9.652 -15.018 1.00 0.00 H new ATOM 0 HB ILE A 20 10.396 11.733 -16.107 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.711 10.618 -13.304 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.585 12.027 -13.874 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.560 10.308 -15.287 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.468 9.521 -16.600 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.730 9.021 -14.912 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.593 12.680 -12.616 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.452 13.187 -14.316 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.565 11.756 -13.738 1.00 0.00 H new ATOM 302 N LYS A 21 11.847 10.147 -18.236 1.00 0.00 N ATOM 303 CA LYS A 21 11.765 9.468 -19.524 1.00 0.00 C ATOM 304 C LYS A 21 12.956 8.543 -19.735 1.00 0.00 C ATOM 305 O LYS A 21 12.798 7.399 -20.164 1.00 0.00 O ATOM 306 CB LYS A 21 11.681 10.486 -20.661 1.00 0.00 C ATOM 307 CG LYS A 21 11.528 9.871 -22.046 1.00 0.00 C ATOM 308 CD LYS A 21 11.365 10.944 -23.112 1.00 0.00 C ATOM 309 CE LYS A 21 11.220 10.331 -24.498 1.00 0.00 C ATOM 310 NZ LYS A 21 11.053 11.368 -25.551 1.00 0.00 N1+ ATOM 0 H LYS A 21 11.923 11.162 -18.299 1.00 0.00 H new ATOM 0 HA LYS A 21 10.859 8.862 -19.525 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.837 11.150 -20.476 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.580 11.102 -20.648 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.401 9.259 -22.273 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.663 9.208 -22.059 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.489 11.552 -22.888 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.228 11.610 -23.095 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.099 9.726 -24.721 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.361 9.661 -24.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.958 10.908 -26.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.200 11.929 -25.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.884 11.993 -25.558 1.00 0.00 H new ATOM 324 N ARG A 22 14.149 9.043 -19.433 1.00 0.00 N ATOM 325 CA ARG A 22 15.356 8.227 -19.476 1.00 0.00 C ATOM 326 C ARG A 22 15.290 7.092 -18.463 1.00 0.00 C ATOM 327 O ARG A 22 15.551 5.935 -18.794 1.00 0.00 O ATOM 328 CB ARG A 22 16.588 9.078 -19.201 1.00 0.00 C ATOM 329 CG ARG A 22 17.907 8.323 -19.240 1.00 0.00 C ATOM 330 CD ARG A 22 19.053 9.201 -18.889 1.00 0.00 C ATOM 331 NE ARG A 22 18.969 9.682 -17.519 1.00 0.00 N ATOM 332 CZ ARG A 22 19.276 8.949 -16.431 1.00 0.00 C ATOM 333 NH1 ARG A 22 19.683 7.707 -16.569 1.00 0.00 N1+ ATOM 334 NH2 ARG A 22 19.165 9.478 -15.226 1.00 0.00 N ATOM 0 H ARG A 22 14.306 10.012 -19.155 1.00 0.00 H new ATOM 0 HA ARG A 22 15.427 7.800 -20.476 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.626 9.885 -19.933 1.00 0.00 H new ATOM 0 HB3 ARG A 22 16.480 9.542 -18.221 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.866 7.483 -18.546 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.059 7.907 -20.236 1.00 0.00 H new ATOM 0 HD2 ARG A 22 19.985 8.653 -19.025 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.081 10.051 -19.571 1.00 0.00 H new ATOM 0 HE ARG A 22 18.656 10.641 -17.372 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.766 7.298 -17.500 1.00 0.00 H new ATOM 0 HH12 ARG A 22 19.915 7.152 -15.745 1.00 0.00 H new ATOM 0 HH21 ARG A 22 18.847 10.441 -15.119 1.00 0.00 H new ATOM 0 HH22 ARG A 22 19.397 8.923 -14.402 1.00 0.00 H new ATOM 348 N ALA A 23 14.940 7.429 -17.226 1.00 0.00 N ATOM 349 CA ALA A 23 14.761 6.428 -16.181 1.00 0.00 C ATOM 350 C ALA A 23 13.936 5.250 -16.682 1.00 0.00 C ATOM 351 O ALA A 23 14.270 4.093 -16.428 1.00 0.00 O ATOM 352 CB ALA A 23 14.106 7.052 -14.957 1.00 0.00 C ATOM 0 H ALA A 23 14.775 8.389 -16.923 1.00 0.00 H new ATOM 0 HA ALA A 23 15.746 6.054 -15.901 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.979 6.293 -14.185 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.737 7.854 -14.576 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.132 7.456 -15.232 1.00 0.00 H new ATOM 358 N TYR A 24 12.855 5.552 -17.393 1.00 0.00 N ATOM 359 CA TYR A 24 11.978 4.518 -17.931 1.00 0.00 C ATOM 360 C TYR A 24 12.613 3.828 -19.132 1.00 0.00 C ATOM 361 O TYR A 24 12.659 2.600 -19.201 1.00 0.00 O ATOM 362 CB TYR A 24 10.622 5.114 -18.316 1.00 0.00 C ATOM 363 CG TYR A 24 9.673 4.116 -18.940 1.00 0.00 C ATOM 364 CD1 TYR A 24 9.071 3.145 -18.152 1.00 0.00 C ATOM 365 CD2 TYR A 24 9.404 4.169 -20.300 1.00 0.00 C ATOM 366 CE1 TYR A 24 8.202 2.233 -18.722 1.00 0.00 C ATOM 367 CE2 TYR A 24 8.536 3.258 -20.869 1.00 0.00 C ATOM 368 CZ TYR A 24 7.937 2.293 -20.085 1.00 0.00 C ATOM 369 OH TYR A 24 7.073 1.385 -20.653 1.00 0.00 O ATOM 0 H TYR A 24 12.565 6.505 -17.610 1.00 0.00 H new ATOM 0 HA TYR A 24 11.825 3.770 -17.153 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.156 5.538 -17.426 1.00 0.00 H new ATOM 0 HB3 TYR A 24 10.782 5.936 -19.014 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.281 3.102 -17.094 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.874 4.923 -20.914 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.731 1.477 -18.111 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.326 3.301 -21.928 1.00 0.00 H new ATOM 0 HH TYR A 24 6.624 1.797 -21.421 1.00 0.00 H new ATOM 379 N ARG A 25 13.101 4.625 -20.077 1.00 0.00 N ATOM 380 CA ARG A 25 13.904 4.105 -21.177 1.00 0.00 C ATOM 381 C ARG A 25 14.797 2.961 -20.714 1.00 0.00 C ATOM 382 O ARG A 25 14.776 1.873 -21.291 1.00 0.00 O ATOM 383 CB ARG A 25 14.767 5.207 -21.775 1.00 0.00 C ATOM 384 CG ARG A 25 15.576 4.794 -22.995 1.00 0.00 C ATOM 385 CD ARG A 25 16.485 5.880 -23.444 1.00 0.00 C ATOM 386 NE ARG A 25 17.078 5.590 -24.740 1.00 0.00 N ATOM 387 CZ ARG A 25 17.810 6.461 -25.459 1.00 0.00 C ATOM 388 NH1 ARG A 25 18.031 7.672 -24.996 1.00 0.00 N1+ ATOM 389 NH2 ARG A 25 18.307 6.101 -26.629 1.00 0.00 N ATOM 0 H ARG A 25 12.954 5.634 -20.103 1.00 0.00 H new ATOM 0 HA ARG A 25 13.217 3.729 -21.936 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.124 6.044 -22.049 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.452 5.569 -21.008 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.160 3.904 -22.760 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.900 4.526 -23.807 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.931 6.817 -23.500 1.00 0.00 H new ATOM 0 HD3 ARG A 25 17.275 6.020 -22.706 1.00 0.00 H new ATOM 0 HE ARG A 25 16.928 4.660 -25.132 1.00 0.00 H new ATOM 0 HH11 ARG A 25 17.648 7.950 -24.093 1.00 0.00 H new ATOM 0 HH12 ARG A 25 18.586 8.333 -25.540 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.136 5.162 -26.989 1.00 0.00 H new ATOM 0 HH22 ARG A 25 18.862 6.762 -27.173 1.00 0.00 H new ATOM 403 N ARG A 26 15.580 3.212 -19.671 1.00 0.00 N ATOM 404 CA ARG A 26 16.437 2.185 -19.092 1.00 0.00 C ATOM 405 C ARG A 26 15.618 1.000 -18.596 1.00 0.00 C ATOM 406 O ARG A 26 15.838 -0.137 -19.015 1.00 0.00 O ATOM 407 CB ARG A 26 17.250 2.754 -17.938 1.00 0.00 C ATOM 408 CG ARG A 26 18.130 1.746 -17.217 1.00 0.00 C ATOM 409 CD ARG A 26 18.838 2.359 -16.065 1.00 0.00 C ATOM 410 NE ARG A 26 17.911 2.922 -15.096 1.00 0.00 N ATOM 411 CZ ARG A 26 18.245 3.817 -14.147 1.00 0.00 C ATOM 412 NH1 ARG A 26 19.486 4.242 -14.052 1.00 0.00 N1+ ATOM 413 NH2 ARG A 26 17.327 4.269 -13.311 1.00 0.00 N ATOM 0 H ARG A 26 15.639 4.119 -19.209 1.00 0.00 H new ATOM 0 HA ARG A 26 17.112 1.842 -19.876 1.00 0.00 H new ATOM 0 HB2 ARG A 26 17.880 3.558 -18.318 1.00 0.00 H new ATOM 0 HB3 ARG A 26 16.566 3.200 -17.216 1.00 0.00 H new ATOM 0 HG2 ARG A 26 17.519 0.914 -16.867 1.00 0.00 H new ATOM 0 HG3 ARG A 26 18.859 1.335 -17.915 1.00 0.00 H new ATOM 0 HD2 ARG A 26 19.459 1.607 -15.579 1.00 0.00 H new ATOM 0 HD3 ARG A 26 19.507 3.141 -16.424 1.00 0.00 H new ATOM 0 HE ARG A 26 16.939 2.617 -15.138 1.00 0.00 H new ATOM 0 HH11 ARG A 26 20.195 3.894 -14.697 1.00 0.00 H new ATOM 0 HH12 ARG A 26 19.739 4.920 -13.333 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.364 3.940 -13.384 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.581 4.947 -12.592 1.00 0.00 H new ATOM 427 N GLN A 27 14.674 1.271 -17.702 1.00 0.00 N ATOM 428 CA GLN A 27 13.995 0.216 -16.961 1.00 0.00 C ATOM 429 C GLN A 27 13.143 -0.645 -17.885 1.00 0.00 C ATOM 430 O GLN A 27 13.065 -1.863 -17.717 1.00 0.00 O ATOM 431 CB GLN A 27 13.122 0.815 -15.854 1.00 0.00 C ATOM 432 CG GLN A 27 13.905 1.427 -14.707 1.00 0.00 C ATOM 433 CD GLN A 27 14.809 0.420 -14.020 1.00 0.00 C ATOM 434 OE1 GLN A 27 15.806 -0.030 -14.592 1.00 0.00 O ATOM 435 NE2 GLN A 27 14.465 0.060 -12.789 1.00 0.00 N ATOM 0 H GLN A 27 14.361 2.214 -17.473 1.00 0.00 H new ATOM 0 HA GLN A 27 14.759 -0.417 -16.509 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.478 1.580 -16.288 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.470 0.036 -15.459 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.507 2.254 -15.083 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.210 1.844 -13.978 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.632 0.458 -12.355 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.034 -0.614 -12.277 1.00 0.00 H new ATOM 444 N ALA A 28 12.508 -0.008 -18.862 1.00 0.00 N ATOM 445 CA ALA A 28 11.715 -0.722 -19.854 1.00 0.00 C ATOM 446 C ALA A 28 12.577 -1.683 -20.663 1.00 0.00 C ATOM 447 O ALA A 28 12.154 -2.794 -20.980 1.00 0.00 O ATOM 448 CB ALA A 28 11.010 0.261 -20.778 1.00 0.00 C ATOM 0 H ALA A 28 12.527 1.004 -18.988 1.00 0.00 H new ATOM 0 HA ALA A 28 10.964 -1.308 -19.324 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.422 -0.288 -21.513 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.351 0.902 -20.192 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.751 0.874 -21.291 1.00 0.00 H new ATOM 454 N LEU A 29 13.788 -1.248 -20.992 1.00 0.00 N ATOM 455 CA LEU A 29 14.772 -2.122 -21.618 1.00 0.00 C ATOM 456 C LEU A 29 15.163 -3.265 -20.690 1.00 0.00 C ATOM 457 O LEU A 29 15.367 -4.395 -21.133 1.00 0.00 O ATOM 458 CB LEU A 29 16.021 -1.322 -22.008 1.00 0.00 C ATOM 459 CG LEU A 29 15.846 -0.340 -23.175 1.00 0.00 C ATOM 460 CD1 LEU A 29 17.090 0.527 -23.300 1.00 0.00 C ATOM 461 CD2 LEU A 29 15.589 -1.118 -24.457 1.00 0.00 C ATOM 0 H LEU A 29 14.112 -0.294 -20.835 1.00 0.00 H new ATOM 0 HA LEU A 29 14.320 -2.546 -22.514 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.359 -0.764 -21.135 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.814 -2.024 -22.264 1.00 0.00 H new ATOM 0 HG LEU A 29 14.992 0.311 -22.991 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.966 1.224 -24.129 1.00 0.00 H new ATOM 0 HD12 LEU A 29 17.239 1.085 -22.376 1.00 0.00 H new ATOM 0 HD13 LEU A 29 17.958 -0.106 -23.486 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.465 -0.422 -25.286 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.434 -1.776 -24.659 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.684 -1.715 -24.345 1.00 0.00 H new ATOM 473 N ARG A 30 15.265 -2.964 -19.400 1.00 0.00 N ATOM 474 CA ARG A 30 15.692 -3.950 -18.414 1.00 0.00 C ATOM 475 C ARG A 30 14.710 -5.112 -18.337 1.00 0.00 C ATOM 476 O ARG A 30 15.112 -6.272 -18.255 1.00 0.00 O ATOM 477 CB ARG A 30 15.827 -3.310 -17.041 1.00 0.00 C ATOM 478 CG ARG A 30 16.455 -4.201 -15.980 1.00 0.00 C ATOM 479 CD ARG A 30 16.525 -3.518 -14.662 1.00 0.00 C ATOM 480 NE ARG A 30 17.356 -2.325 -14.713 1.00 0.00 N ATOM 481 CZ ARG A 30 18.702 -2.329 -14.675 1.00 0.00 C ATOM 482 NH1 ARG A 30 19.355 -3.467 -14.585 1.00 0.00 N1+ ATOM 483 NH2 ARG A 30 19.368 -1.188 -14.726 1.00 0.00 N ATOM 0 H ARG A 30 15.057 -2.044 -19.012 1.00 0.00 H new ATOM 0 HA ARG A 30 16.662 -4.332 -18.731 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.426 -2.404 -17.135 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.838 -3.004 -16.700 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.874 -5.118 -15.884 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.458 -4.490 -16.294 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.520 -3.247 -14.340 1.00 0.00 H new ATOM 0 HD3 ARG A 30 16.924 -4.207 -13.917 1.00 0.00 H new ATOM 0 HE ARG A 30 16.886 -1.422 -14.782 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.842 -4.348 -14.544 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.375 -3.469 -14.556 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.862 -0.305 -14.794 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.388 -1.191 -14.697 1.00 0.00 H new ATOM 497 N TYR A 31 13.421 -4.793 -18.363 1.00 0.00 N ATOM 498 CA TYR A 31 12.379 -5.798 -18.199 1.00 0.00 C ATOM 499 C TYR A 31 11.686 -6.097 -19.522 1.00 0.00 C ATOM 500 O TYR A 31 10.691 -6.821 -19.564 1.00 0.00 O ATOM 501 CB TYR A 31 11.356 -5.344 -17.155 1.00 0.00 C ATOM 502 CG TYR A 31 11.871 -5.394 -15.733 1.00 0.00 C ATOM 503 CD1 TYR A 31 12.625 -4.344 -15.231 1.00 0.00 C ATOM 504 CD2 TYR A 31 11.589 -6.491 -14.932 1.00 0.00 C ATOM 505 CE1 TYR A 31 13.096 -4.390 -13.933 1.00 0.00 C ATOM 506 CE2 TYR A 31 12.059 -6.537 -13.633 1.00 0.00 C ATOM 507 CZ TYR A 31 12.810 -5.492 -13.134 1.00 0.00 C ATOM 508 OH TYR A 31 13.278 -5.538 -11.841 1.00 0.00 O ATOM 0 H TYR A 31 13.073 -3.844 -18.496 1.00 0.00 H new ATOM 0 HA TYR A 31 12.853 -6.716 -17.852 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.046 -4.324 -17.383 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.469 -5.972 -17.232 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.844 -3.490 -15.855 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.002 -7.309 -15.323 1.00 0.00 H new ATOM 0 HE1 TYR A 31 13.684 -3.574 -13.540 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.839 -7.390 -13.009 1.00 0.00 H new ATOM 0 HH TYR A 31 12.990 -6.374 -11.418 1.00 0.00 H new ATOM 518 N HIS A 32 12.217 -5.534 -20.602 1.00 0.00 N ATOM 519 CA HIS A 32 11.796 -5.908 -21.947 1.00 0.00 C ATOM 520 C HIS A 32 11.784 -7.422 -22.118 1.00 0.00 C ATOM 521 O HIS A 32 12.680 -8.118 -21.641 1.00 0.00 O ATOM 522 CB HIS A 32 12.716 -5.278 -22.997 1.00 0.00 C ATOM 523 CG HIS A 32 12.187 -5.372 -24.395 1.00 0.00 C ATOM 524 ND1 HIS A 32 12.265 -6.529 -25.142 1.00 0.00 N ATOM 525 CD2 HIS A 32 11.574 -4.456 -25.180 1.00 0.00 C ATOM 526 CE1 HIS A 32 11.721 -6.319 -26.328 1.00 0.00 C ATOM 527 NE2 HIS A 32 11.295 -5.070 -26.377 1.00 0.00 N ATOM 0 H HIS A 32 12.941 -4.816 -20.572 1.00 0.00 H new ATOM 0 HA HIS A 32 10.782 -5.533 -22.090 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.873 -4.229 -22.747 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.690 -5.765 -22.953 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.347 -3.434 -24.915 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.639 -7.046 -27.123 1.00 0.00 H new ATOM 0 HE2 HIS A 32 10.834 -4.632 -27.174 1.00 0.00 H new ATOM 535 N PRO A 33 10.762 -7.926 -22.802 1.00 0.00 N ATOM 536 CA PRO A 33 10.580 -9.364 -22.958 1.00 0.00 C ATOM 537 C PRO A 33 11.844 -10.025 -23.492 1.00 0.00 C ATOM 538 O PRO A 33 12.182 -11.144 -23.106 1.00 0.00 O ATOM 539 CB PRO A 33 9.425 -9.458 -23.959 1.00 0.00 C ATOM 540 CG PRO A 33 8.585 -8.263 -23.663 1.00 0.00 C ATOM 541 CD PRO A 33 9.578 -7.175 -23.358 1.00 0.00 C ATOM 0 HA PRO A 33 10.370 -9.877 -22.020 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.787 -9.445 -24.987 1.00 0.00 H new ATOM 0 HB3 PRO A 33 8.862 -10.382 -23.831 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.955 -8.000 -24.513 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.921 -8.443 -22.818 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.844 -6.612 -24.253 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.181 -6.460 -22.637 1.00 0.00 H new ATOM 549 N ASP A 34 12.538 -9.326 -24.384 1.00 0.00 N ATOM 550 CA ASP A 34 13.737 -9.866 -25.015 1.00 0.00 C ATOM 551 C ASP A 34 14.976 -9.584 -24.174 1.00 0.00 C ATOM 552 O ASP A 34 16.102 -9.811 -24.616 1.00 0.00 O ATOM 553 CB ASP A 34 13.919 -9.275 -26.416 1.00 0.00 C ATOM 554 CG ASP A 34 12.839 -9.724 -27.392 1.00 0.00 C ATOM 555 OD1 ASP A 34 12.265 -10.764 -27.175 1.00 0.00 O ATOM 556 OD2 ASP A 34 12.601 -9.022 -28.345 1.00 0.00 O1- ATOM 0 H ASP A 34 12.291 -8.384 -24.686 1.00 0.00 H new ATOM 0 HA ASP A 34 13.611 -10.946 -25.095 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.913 -8.187 -26.350 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.896 -9.565 -26.804 1.00 0.00 H new ATOM 561 N LYS A 35 14.761 -9.089 -22.961 1.00 0.00 N ATOM 562 CA LYS A 35 15.861 -8.708 -22.083 1.00 0.00 C ATOM 563 C LYS A 35 15.729 -9.368 -20.715 1.00 0.00 C ATOM 564 O LYS A 35 16.727 -9.638 -20.047 1.00 0.00 O ATOM 565 CB LYS A 35 15.921 -7.188 -21.929 1.00 0.00 C ATOM 566 CG LYS A 35 16.204 -6.435 -23.222 1.00 0.00 C ATOM 567 CD LYS A 35 17.586 -6.766 -23.764 1.00 0.00 C ATOM 568 CE LYS A 35 17.905 -5.949 -25.007 1.00 0.00 C ATOM 569 NZ LYS A 35 19.244 -6.282 -25.564 1.00 0.00 N1+ ATOM 0 H LYS A 35 13.834 -8.942 -22.562 1.00 0.00 H new ATOM 0 HA LYS A 35 16.788 -9.055 -22.540 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.973 -6.839 -21.520 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.693 -6.939 -21.201 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.449 -6.689 -23.966 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.128 -5.362 -23.045 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.335 -6.572 -22.997 1.00 0.00 H new ATOM 0 HD3 LYS A 35 17.641 -7.828 -24.001 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.142 -6.129 -25.765 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.868 -4.887 -24.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.422 -5.703 -26.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.975 -6.087 -24.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.272 -7.289 -25.822 1.00 0.00 H new ATOM 583 N ASN A 36 14.492 -9.626 -20.306 1.00 0.00 N ATOM 584 CA ASN A 36 14.227 -10.261 -19.020 1.00 0.00 C ATOM 585 C ASN A 36 12.976 -11.128 -19.082 1.00 0.00 C ATOM 586 O ASN A 36 11.891 -10.647 -19.406 1.00 0.00 O ATOM 587 CB ASN A 36 14.100 -9.219 -17.926 1.00 0.00 C ATOM 588 CG ASN A 36 13.950 -9.829 -16.560 1.00 0.00 C ATOM 589 OD1 ASN A 36 13.035 -10.625 -16.321 1.00 0.00 O ATOM 590 ND2 ASN A 36 14.830 -9.472 -15.660 1.00 0.00 N ATOM 0 H ASN A 36 13.656 -9.405 -20.847 1.00 0.00 H new ATOM 0 HA ASN A 36 15.072 -10.908 -18.785 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.980 -8.576 -17.938 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.239 -8.584 -18.133 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.778 -9.854 -14.716 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.568 -8.812 -15.903 1.00 0.00 H new ATOM 597 N LYS A 37 13.135 -12.410 -18.768 1.00 0.00 N ATOM 598 CA LYS A 37 12.024 -13.353 -18.815 1.00 0.00 C ATOM 599 C LYS A 37 11.866 -14.084 -17.488 1.00 0.00 C ATOM 600 O LYS A 37 12.429 -15.161 -17.290 1.00 0.00 O ATOM 601 CB LYS A 37 12.224 -14.360 -19.948 1.00 0.00 C ATOM 602 CG LYS A 37 12.207 -13.748 -21.344 1.00 0.00 C ATOM 603 CD LYS A 37 12.371 -14.815 -22.417 1.00 0.00 C ATOM 604 CE LYS A 37 12.360 -14.205 -23.810 1.00 0.00 C ATOM 605 NZ LYS A 37 12.521 -15.236 -24.871 1.00 0.00 N1+ ATOM 0 H LYS A 37 14.023 -12.819 -18.478 1.00 0.00 H new ATOM 0 HA LYS A 37 11.113 -12.785 -19.003 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.175 -14.871 -19.800 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.443 -15.117 -19.887 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.269 -13.215 -21.498 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.009 -13.015 -21.432 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.307 -15.351 -22.260 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.567 -15.546 -22.332 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.423 -13.670 -23.964 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.163 -13.472 -23.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.508 -14.778 -25.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.427 -15.730 -24.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.741 -15.921 -24.811 1.00 0.00 H new ATOM 619 N GLU A 38 11.095 -13.492 -16.581 1.00 0.00 N ATOM 620 CA GLU A 38 10.887 -14.071 -15.259 1.00 0.00 C ATOM 621 C GLU A 38 9.522 -13.690 -14.701 1.00 0.00 C ATOM 622 O GLU A 38 9.129 -12.524 -14.737 1.00 0.00 O ATOM 623 CB GLU A 38 11.987 -13.615 -14.297 1.00 0.00 C ATOM 624 CG GLU A 38 11.875 -14.197 -12.895 1.00 0.00 C ATOM 625 CD GLU A 38 12.992 -13.757 -11.990 1.00 0.00 C ATOM 626 OE1 GLU A 38 13.836 -13.016 -12.434 1.00 0.00 O ATOM 627 OE2 GLU A 38 13.002 -14.164 -10.852 1.00 0.00 O1- ATOM 0 H GLU A 38 10.604 -12.612 -16.738 1.00 0.00 H new ATOM 0 HA GLU A 38 10.927 -15.156 -15.360 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.956 -13.889 -14.715 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.966 -12.527 -14.229 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.921 -13.900 -12.458 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.872 -15.285 -12.958 1.00 0.00 H new ATOM 634 N PRO A 39 8.801 -14.681 -14.186 1.00 0.00 N ATOM 635 CA PRO A 39 7.501 -14.443 -13.569 1.00 0.00 C ATOM 636 C PRO A 39 7.646 -13.687 -12.255 1.00 0.00 C ATOM 637 O PRO A 39 8.491 -14.022 -11.425 1.00 0.00 O ATOM 638 CB PRO A 39 6.959 -15.859 -13.350 1.00 0.00 C ATOM 639 CG PRO A 39 8.181 -16.700 -13.202 1.00 0.00 C ATOM 640 CD PRO A 39 9.164 -16.107 -14.177 1.00 0.00 C ATOM 0 HA PRO A 39 6.840 -13.826 -14.178 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.330 -15.911 -12.462 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.350 -16.187 -14.192 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.564 -16.668 -12.182 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.974 -17.745 -13.432 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.194 -16.259 -13.855 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.070 -16.554 -15.167 1.00 0.00 H new ATOM 648 N GLY A 40 6.816 -12.667 -12.070 1.00 0.00 N ATOM 649 CA GLY A 40 6.931 -11.782 -10.917 1.00 0.00 C ATOM 650 C GLY A 40 7.704 -10.518 -11.267 1.00 0.00 C ATOM 651 O GLY A 40 7.301 -9.412 -10.904 1.00 0.00 O ATOM 0 H GLY A 40 6.054 -12.432 -12.706 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.936 -11.516 -10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.433 -12.305 -10.103 1.00 0.00 H new ATOM 655 N ALA A 41 8.816 -10.687 -11.974 1.00 0.00 N ATOM 656 CA ALA A 41 9.448 -9.582 -12.685 1.00 0.00 C ATOM 657 C ALA A 41 8.526 -9.020 -13.760 1.00 0.00 C ATOM 658 O ALA A 41 8.509 -7.815 -14.010 1.00 0.00 O ATOM 659 CB ALA A 41 10.765 -10.030 -13.299 1.00 0.00 C ATOM 0 H ALA A 41 9.299 -11.580 -12.070 1.00 0.00 H new ATOM 0 HA ALA A 41 9.648 -8.789 -11.964 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.224 -9.194 -13.826 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.435 -10.374 -12.511 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.581 -10.844 -14.000 1.00 0.00 H new ATOM 665 N GLU A 42 7.760 -9.901 -14.395 1.00 0.00 N ATOM 666 CA GLU A 42 6.642 -9.482 -15.231 1.00 0.00 C ATOM 667 C GLU A 42 5.720 -8.528 -14.483 1.00 0.00 C ATOM 668 O GLU A 42 5.179 -7.588 -15.064 1.00 0.00 O ATOM 669 CB GLU A 42 5.850 -10.700 -15.714 1.00 0.00 C ATOM 670 CG GLU A 42 6.572 -11.549 -16.751 1.00 0.00 C ATOM 671 CD GLU A 42 5.838 -12.819 -17.080 1.00 0.00 C ATOM 672 OE1 GLU A 42 4.938 -13.168 -16.354 1.00 0.00 O ATOM 673 OE2 GLU A 42 6.178 -13.441 -18.059 1.00 0.00 O1- ATOM 0 H GLU A 42 7.894 -10.911 -14.346 1.00 0.00 H new ATOM 0 HA GLU A 42 7.051 -8.956 -16.094 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.609 -11.325 -14.854 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.904 -10.359 -16.136 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.705 -10.966 -17.662 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.568 -11.796 -16.382 1.00 0.00 H new ATOM 680 N GLU A 43 5.545 -8.776 -13.190 1.00 0.00 N ATOM 681 CA GLU A 43 4.723 -7.915 -12.348 1.00 0.00 C ATOM 682 C GLU A 43 5.505 -6.695 -11.879 1.00 0.00 C ATOM 683 O GLU A 43 4.936 -5.623 -11.671 1.00 0.00 O ATOM 684 CB GLU A 43 4.198 -8.693 -11.139 1.00 0.00 C ATOM 685 CG GLU A 43 3.296 -9.867 -11.491 1.00 0.00 C ATOM 686 CD GLU A 43 2.024 -9.445 -12.171 1.00 0.00 C ATOM 687 OE1 GLU A 43 1.380 -8.548 -11.681 1.00 0.00 O ATOM 688 OE2 GLU A 43 1.697 -10.018 -13.183 1.00 0.00 O1- ATOM 0 H GLU A 43 5.962 -9.568 -12.701 1.00 0.00 H new ATOM 0 HA GLU A 43 3.879 -7.573 -12.946 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.047 -9.062 -10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.648 -8.009 -10.493 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.839 -10.553 -12.141 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.051 -10.416 -10.582 1.00 0.00 H new ATOM 695 N LYS A 44 6.812 -6.863 -11.714 1.00 0.00 N ATOM 696 CA LYS A 44 7.700 -5.742 -11.435 1.00 0.00 C ATOM 697 C LYS A 44 7.774 -4.790 -12.622 1.00 0.00 C ATOM 698 O LYS A 44 7.966 -3.585 -12.452 1.00 0.00 O ATOM 699 CB LYS A 44 9.100 -6.243 -11.074 1.00 0.00 C ATOM 700 CG LYS A 44 10.078 -5.146 -10.675 1.00 0.00 C ATOM 701 CD LYS A 44 9.592 -4.393 -9.446 1.00 0.00 C ATOM 702 CE LYS A 44 9.565 -5.292 -8.219 1.00 0.00 C ATOM 703 NZ LYS A 44 9.206 -4.541 -6.986 1.00 0.00 N1+ ATOM 0 H LYS A 44 7.281 -7.767 -11.769 1.00 0.00 H new ATOM 0 HA LYS A 44 7.290 -5.196 -10.585 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.017 -6.955 -10.253 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.509 -6.785 -11.926 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.056 -5.583 -10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.205 -4.450 -11.504 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.244 -3.539 -9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.593 -3.997 -9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.847 -6.097 -8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.542 -5.757 -8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.199 -5.190 -6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.905 -3.789 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.263 -4.118 -7.099 1.00 0.00 H new ATOM 717 N PHE A 45 7.622 -5.336 -13.822 1.00 0.00 N ATOM 718 CA PHE A 45 7.558 -4.524 -15.032 1.00 0.00 C ATOM 719 C PHE A 45 6.222 -3.802 -15.141 1.00 0.00 C ATOM 720 O PHE A 45 6.153 -2.670 -15.621 1.00 0.00 O ATOM 721 CB PHE A 45 7.776 -5.393 -16.272 1.00 0.00 C ATOM 722 CG PHE A 45 8.029 -4.606 -17.526 1.00 0.00 C ATOM 723 CD1 PHE A 45 8.443 -3.284 -17.461 1.00 0.00 C ATOM 724 CD2 PHE A 45 7.851 -5.186 -18.774 1.00 0.00 C ATOM 725 CE1 PHE A 45 8.676 -2.559 -18.615 1.00 0.00 C ATOM 726 CE2 PHE A 45 8.084 -4.464 -19.929 1.00 0.00 C ATOM 727 CZ PHE A 45 8.496 -3.149 -19.849 1.00 0.00 C ATOM 0 H PHE A 45 7.541 -6.340 -13.984 1.00 0.00 H new ATOM 0 HA PHE A 45 8.350 -3.778 -14.972 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.621 -6.058 -16.094 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.900 -6.024 -16.421 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.585 -2.816 -16.498 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.527 -6.214 -18.843 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.999 -1.530 -18.550 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.944 -4.928 -20.894 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.677 -2.583 -20.751 1.00 0.00 H new ATOM 737 N LYS A 46 5.160 -4.463 -14.691 1.00 0.00 N ATOM 738 CA LYS A 46 3.873 -3.804 -14.499 1.00 0.00 C ATOM 739 C LYS A 46 3.971 -2.696 -13.458 1.00 0.00 C ATOM 740 O LYS A 46 3.335 -1.650 -13.588 1.00 0.00 O ATOM 741 CB LYS A 46 2.808 -4.821 -14.084 1.00 0.00 C ATOM 742 CG LYS A 46 2.370 -5.763 -15.197 1.00 0.00 C ATOM 743 CD LYS A 46 1.347 -6.772 -14.697 1.00 0.00 C ATOM 744 CE LYS A 46 0.988 -7.780 -15.780 1.00 0.00 C ATOM 745 NZ LYS A 46 0.088 -8.848 -15.268 1.00 0.00 N1+ ATOM 0 H LYS A 46 5.165 -5.455 -14.452 1.00 0.00 H new ATOM 0 HA LYS A 46 3.584 -3.355 -15.449 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.193 -5.413 -13.254 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.934 -4.284 -13.715 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.944 -5.186 -16.018 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.238 -6.289 -15.594 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.745 -7.296 -13.828 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.448 -6.250 -14.371 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.504 -7.265 -16.610 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.899 -8.231 -16.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.146 -9.504 -16.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.566 -9.368 -14.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.786 -8.419 -14.901 1.00 0.00 H new ATOM 759 N GLU A 47 4.774 -2.930 -12.425 1.00 0.00 N ATOM 760 CA GLU A 47 5.066 -1.903 -11.433 1.00 0.00 C ATOM 761 C GLU A 47 5.779 -0.715 -12.064 1.00 0.00 C ATOM 762 O GLU A 47 5.460 0.438 -11.775 1.00 0.00 O ATOM 763 CB GLU A 47 5.919 -2.481 -10.302 1.00 0.00 C ATOM 764 CG GLU A 47 6.165 -1.521 -9.146 1.00 0.00 C ATOM 765 CD GLU A 47 7.040 -2.108 -8.074 1.00 0.00 C ATOM 766 OE1 GLU A 47 6.716 -3.161 -7.579 1.00 0.00 O ATOM 767 OE2 GLU A 47 8.035 -1.502 -7.750 1.00 0.00 O1- ATOM 0 H GLU A 47 5.235 -3.824 -12.253 1.00 0.00 H new ATOM 0 HA GLU A 47 4.117 -1.556 -11.024 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.432 -3.377 -9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.880 -2.792 -10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.628 -0.611 -9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.209 -1.233 -8.710 1.00 0.00 H new ATOM 774 N ILE A 48 6.747 -1.002 -12.927 1.00 0.00 N ATOM 775 CA ILE A 48 7.409 0.036 -13.710 1.00 0.00 C ATOM 776 C ILE A 48 6.421 0.756 -14.617 1.00 0.00 C ATOM 777 O ILE A 48 6.404 1.986 -14.680 1.00 0.00 O ATOM 778 CB ILE A 48 8.548 -0.559 -14.559 1.00 0.00 C ATOM 779 CG1 ILE A 48 9.690 -1.038 -13.660 1.00 0.00 C ATOM 780 CG2 ILE A 48 9.051 0.464 -15.565 1.00 0.00 C ATOM 781 CD1 ILE A 48 10.692 -1.924 -14.364 1.00 0.00 C ATOM 0 H ILE A 48 7.091 -1.946 -13.103 1.00 0.00 H new ATOM 0 HA ILE A 48 7.828 0.756 -13.007 1.00 0.00 H new ATOM 0 HB ILE A 48 8.160 -1.417 -15.108 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.209 -0.170 -13.255 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.270 -1.582 -12.814 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.856 0.027 -16.157 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.234 0.758 -16.224 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.424 1.341 -15.036 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.470 -2.222 -13.662 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.188 -2.812 -14.746 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.142 -1.378 -15.193 1.00 0.00 H new ATOM 793 N ALA A 49 5.598 -0.015 -15.319 1.00 0.00 N ATOM 794 CA ALA A 49 4.504 0.545 -16.102 1.00 0.00 C ATOM 795 C ALA A 49 3.808 1.672 -15.350 1.00 0.00 C ATOM 796 O ALA A 49 4.020 2.849 -15.642 1.00 0.00 O ATOM 797 CB ALA A 49 3.504 -0.542 -16.469 1.00 0.00 C ATOM 0 H ALA A 49 5.668 -1.032 -15.361 1.00 0.00 H new ATOM 0 HA ALA A 49 4.925 0.961 -17.017 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.693 -0.108 -17.054 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.003 -1.312 -17.057 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.099 -0.986 -15.560 1.00 0.00 H new ATOM 803 N GLU A 50 2.978 1.305 -14.380 1.00 0.00 N ATOM 804 CA GLU A 50 2.284 2.285 -13.552 1.00 0.00 C ATOM 805 C GLU A 50 3.232 3.383 -13.089 1.00 0.00 C ATOM 806 O GLU A 50 2.839 4.543 -12.965 1.00 0.00 O ATOM 807 CB GLU A 50 1.645 1.603 -12.341 1.00 0.00 C ATOM 808 CG GLU A 50 2.642 1.088 -11.312 1.00 0.00 C ATOM 809 CD GLU A 50 1.991 0.691 -10.015 1.00 0.00 C ATOM 810 OE1 GLU A 50 1.331 1.514 -9.428 1.00 0.00 O ATOM 811 OE2 GLU A 50 2.154 -0.436 -9.613 1.00 0.00 O1- ATOM 0 H GLU A 50 2.769 0.334 -14.147 1.00 0.00 H new ATOM 0 HA GLU A 50 1.502 2.741 -14.159 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.971 2.309 -11.855 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.036 0.769 -12.688 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.172 0.229 -11.725 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.387 1.859 -11.118 1.00 0.00 H new ATOM 818 N ALA A 51 4.482 3.011 -12.834 1.00 0.00 N ATOM 819 CA ALA A 51 5.460 3.940 -12.284 1.00 0.00 C ATOM 820 C ALA A 51 5.816 5.026 -13.290 1.00 0.00 C ATOM 821 O ALA A 51 6.183 6.140 -12.913 1.00 0.00 O ATOM 822 CB ALA A 51 6.712 3.193 -11.847 1.00 0.00 C ATOM 0 H ALA A 51 4.841 2.071 -13.000 1.00 0.00 H new ATOM 0 HA ALA A 51 5.014 4.421 -11.414 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.434 3.900 -11.438 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.450 2.460 -11.084 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.150 2.683 -12.705 1.00 0.00 H new ATOM 828 N TYR A 52 5.705 4.697 -14.572 1.00 0.00 N ATOM 829 CA TYR A 52 5.897 5.677 -15.634 1.00 0.00 C ATOM 830 C TYR A 52 4.566 6.091 -16.249 1.00 0.00 C ATOM 831 O TYR A 52 4.305 7.277 -16.448 1.00 0.00 O ATOM 832 CB TYR A 52 6.830 5.123 -16.713 1.00 0.00 C ATOM 833 CG TYR A 52 7.121 6.100 -17.830 1.00 0.00 C ATOM 834 CD1 TYR A 52 7.806 7.276 -17.560 1.00 0.00 C ATOM 835 CD2 TYR A 52 6.705 5.820 -19.122 1.00 0.00 C ATOM 836 CE1 TYR A 52 8.073 8.168 -18.580 1.00 0.00 C ATOM 837 CE2 TYR A 52 6.972 6.713 -20.143 1.00 0.00 C ATOM 838 CZ TYR A 52 7.653 7.884 -19.875 1.00 0.00 C ATOM 839 OH TYR A 52 7.919 8.772 -20.891 1.00 0.00 O ATOM 0 H TYR A 52 5.483 3.758 -14.901 1.00 0.00 H new ATOM 0 HA TYR A 52 6.356 6.562 -15.193 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.770 4.826 -16.249 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.385 4.223 -17.137 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.130 7.494 -16.553 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.172 4.904 -19.331 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.607 9.084 -18.373 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.648 6.495 -21.150 1.00 0.00 H new ATOM 0 HH TYR A 52 7.559 8.423 -21.733 1.00 0.00 H new ATOM 849 N ASP A 53 3.726 5.105 -16.548 1.00 0.00 N ATOM 850 CA ASP A 53 2.380 5.369 -17.043 1.00 0.00 C ATOM 851 C ASP A 53 1.900 6.753 -16.623 1.00 0.00 C ATOM 852 O ASP A 53 1.514 7.568 -17.461 1.00 0.00 O ATOM 853 CB ASP A 53 1.404 4.306 -16.535 1.00 0.00 C ATOM 854 CG ASP A 53 0.010 4.450 -17.131 1.00 0.00 C ATOM 855 OD1 ASP A 53 -0.104 4.443 -18.335 1.00 0.00 O ATOM 856 OD2 ASP A 53 -0.928 4.563 -16.379 1.00 0.00 O1- ATOM 0 H ASP A 53 3.954 4.115 -16.456 1.00 0.00 H new ATOM 0 HA ASP A 53 2.414 5.332 -18.132 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.795 3.317 -16.773 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.338 4.370 -15.449 1.00 0.00 H new ATOM 861 N VAL A 54 1.925 7.010 -15.320 1.00 0.00 N ATOM 862 CA VAL A 54 1.317 8.214 -14.765 1.00 0.00 C ATOM 863 C VAL A 54 2.207 9.431 -14.981 1.00 0.00 C ATOM 864 O VAL A 54 1.727 10.563 -15.034 1.00 0.00 O ATOM 865 CB VAL A 54 1.054 8.035 -13.258 1.00 0.00 C ATOM 866 CG1 VAL A 54 0.296 6.741 -13.001 1.00 0.00 C ATOM 867 CG2 VAL A 54 2.372 8.049 -12.498 1.00 0.00 C ATOM 0 H VAL A 54 2.360 6.400 -14.628 1.00 0.00 H new ATOM 0 HA VAL A 54 0.372 8.376 -15.284 1.00 0.00 H new ATOM 0 HB VAL A 54 0.439 8.862 -12.904 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.118 6.630 -11.931 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.659 6.768 -13.527 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.885 5.897 -13.361 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.179 7.922 -11.433 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.005 7.235 -12.852 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.878 9.000 -12.664 1.00 0.00 H new ATOM 877 N LEU A 55 3.508 9.191 -15.105 1.00 0.00 N ATOM 878 CA LEU A 55 4.448 10.238 -15.492 1.00 0.00 C ATOM 879 C LEU A 55 4.322 10.570 -16.973 1.00 0.00 C ATOM 880 O LEU A 55 4.534 11.711 -17.384 1.00 0.00 O ATOM 881 CB LEU A 55 5.884 9.803 -15.179 1.00 0.00 C ATOM 882 CG LEU A 55 6.411 10.192 -13.793 1.00 0.00 C ATOM 883 CD1 LEU A 55 6.093 11.656 -13.521 1.00 0.00 C ATOM 884 CD2 LEU A 55 5.781 9.291 -12.739 1.00 0.00 C ATOM 0 H LEU A 55 3.936 8.280 -14.943 1.00 0.00 H new ATOM 0 HA LEU A 55 4.208 11.133 -14.917 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.946 8.719 -15.279 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.546 10.231 -15.932 1.00 0.00 H new ATOM 0 HG LEU A 55 7.493 10.062 -13.756 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.468 11.933 -12.536 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.569 12.279 -14.278 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.014 11.806 -13.554 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.155 9.567 -11.753 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.697 9.407 -12.761 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.039 8.253 -12.947 1.00 0.00 H new ATOM 896 N SER A 56 3.975 9.566 -17.773 1.00 0.00 N ATOM 897 CA SER A 56 3.704 9.774 -19.190 1.00 0.00 C ATOM 898 C SER A 56 2.269 10.234 -19.415 1.00 0.00 C ATOM 899 O SER A 56 1.927 10.732 -20.487 1.00 0.00 O ATOM 900 CB SER A 56 3.962 8.496 -19.963 1.00 0.00 C ATOM 901 OG SER A 56 3.000 7.523 -19.661 1.00 0.00 O ATOM 0 H SER A 56 3.875 8.600 -17.463 1.00 0.00 H new ATOM 0 HA SER A 56 4.373 10.556 -19.549 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.949 8.705 -21.033 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.956 8.117 -19.724 1.00 0.00 H new ATOM 0 HG SER A 56 2.598 7.720 -18.789 1.00 0.00 H new ATOM 907 N ASP A 57 1.432 10.063 -18.396 1.00 0.00 N ATOM 908 CA ASP A 57 0.022 10.417 -18.497 1.00 0.00 C ATOM 909 C ASP A 57 -0.368 11.438 -17.435 1.00 0.00 C ATOM 910 O ASP A 57 -0.565 11.092 -16.270 1.00 0.00 O ATOM 911 CB ASP A 57 -0.855 9.170 -18.359 1.00 0.00 C ATOM 912 CG ASP A 57 -2.325 9.443 -18.650 1.00 0.00 C ATOM 913 OD1 ASP A 57 -2.718 10.585 -18.598 1.00 0.00 O ATOM 914 OD2 ASP A 57 -3.041 8.509 -18.920 1.00 0.00 O1- ATOM 0 H ASP A 57 1.707 9.681 -17.491 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.137 10.862 -19.479 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.492 8.400 -19.040 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.758 8.774 -17.348 1.00 0.00 H new ATOM 919 N PRO A 58 -0.476 12.697 -17.844 1.00 0.00 N ATOM 920 CA PRO A 58 -0.615 13.800 -16.901 1.00 0.00 C ATOM 921 C PRO A 58 -1.927 13.704 -16.132 1.00 0.00 C ATOM 922 O PRO A 58 -2.156 14.453 -15.182 1.00 0.00 O ATOM 923 CB PRO A 58 -0.578 15.035 -17.806 1.00 0.00 C ATOM 924 CG PRO A 58 0.222 14.600 -18.985 1.00 0.00 C ATOM 925 CD PRO A 58 -0.186 13.168 -19.208 1.00 0.00 C ATOM 0 HA PRO A 58 0.160 13.814 -16.135 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.581 15.345 -18.098 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.116 15.884 -17.302 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.008 15.215 -19.859 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.292 14.683 -18.792 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.059 13.092 -19.857 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.610 12.588 -19.676 1.00 0.00 H new ATOM 933 N ARG A 59 -2.785 12.780 -16.548 1.00 0.00 N ATOM 934 CA ARG A 59 -4.089 12.607 -15.920 1.00 0.00 C ATOM 935 C ARG A 59 -3.966 11.885 -14.584 1.00 0.00 C ATOM 936 O ARG A 59 -4.632 12.240 -13.612 1.00 0.00 O ATOM 937 CB ARG A 59 -5.023 11.824 -16.831 1.00 0.00 C ATOM 938 CG ARG A 59 -5.436 12.552 -18.102 1.00 0.00 C ATOM 939 CD ARG A 59 -6.302 11.707 -18.962 1.00 0.00 C ATOM 940 NE ARG A 59 -5.622 10.495 -19.392 1.00 0.00 N ATOM 941 CZ ARG A 59 -6.205 9.495 -20.082 1.00 0.00 C ATOM 942 NH1 ARG A 59 -7.475 9.576 -20.412 1.00 0.00 N1+ ATOM 943 NH2 ARG A 59 -5.499 8.433 -20.429 1.00 0.00 N ATOM 0 H ARG A 59 -2.601 12.138 -17.319 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.502 13.601 -15.746 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.538 10.888 -17.107 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.921 11.564 -16.270 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.966 13.468 -17.841 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.546 12.846 -18.659 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.207 11.441 -18.416 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.613 12.278 -19.836 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.635 10.395 -19.155 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.020 10.396 -20.146 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.916 8.819 -20.934 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.513 8.370 -20.175 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.940 7.676 -20.951 1.00 0.00 H new ATOM 957 N LYS A 60 -3.110 10.869 -14.543 1.00 0.00 N ATOM 958 CA LYS A 60 -2.878 10.111 -13.320 1.00 0.00 C ATOM 959 C LYS A 60 -1.818 10.777 -12.451 1.00 0.00 C ATOM 960 O LYS A 60 -1.940 10.816 -11.227 1.00 0.00 O ATOM 961 CB LYS A 60 -2.464 8.676 -13.649 1.00 0.00 C ATOM 962 CG LYS A 60 -3.556 7.840 -14.302 1.00 0.00 C ATOM 963 CD LYS A 60 -3.049 6.450 -14.658 1.00 0.00 C ATOM 964 CE LYS A 60 -4.065 5.688 -15.496 1.00 0.00 C ATOM 965 NZ LYS A 60 -3.550 4.358 -15.922 1.00 0.00 N1+ ATOM 0 H LYS A 60 -2.565 10.552 -15.345 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.813 10.089 -12.760 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.599 8.703 -14.312 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.146 8.183 -12.730 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.407 7.757 -13.626 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.912 8.341 -15.202 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.111 6.532 -15.207 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.837 5.893 -13.745 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.982 5.555 -14.922 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.323 6.276 -16.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.237 3.908 -16.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.644 4.479 -16.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.408 3.757 -15.086 1.00 0.00 H new ATOM 979 N ARG A 61 -0.779 11.300 -13.093 1.00 0.00 N ATOM 980 CA ARG A 61 0.060 12.325 -12.483 1.00 0.00 C ATOM 981 C ARG A 61 -0.716 13.127 -11.445 1.00 0.00 C ATOM 982 O ARG A 61 -0.236 13.350 -10.334 1.00 0.00 O ATOM 983 CB ARG A 61 0.606 13.270 -13.543 1.00 0.00 C ATOM 984 CG ARG A 61 1.589 14.310 -13.029 1.00 0.00 C ATOM 985 CD ARG A 61 2.043 15.219 -14.111 1.00 0.00 C ATOM 986 NE ARG A 61 2.963 14.560 -15.024 1.00 0.00 N ATOM 987 CZ ARG A 61 4.305 14.653 -14.957 1.00 0.00 C ATOM 988 NH1 ARG A 61 4.867 15.380 -14.017 1.00 0.00 N1+ ATOM 989 NH2 ARG A 61 5.057 14.015 -15.836 1.00 0.00 N ATOM 0 H ARG A 61 -0.498 11.031 -14.036 1.00 0.00 H new ATOM 0 HA ARG A 61 0.888 11.818 -11.988 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.096 12.680 -14.317 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.231 13.784 -14.016 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.120 14.893 -12.237 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.451 13.809 -12.589 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.178 15.582 -14.667 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.529 16.091 -13.673 1.00 0.00 H new ATOM 0 HE ARG A 61 2.564 13.987 -15.768 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.287 15.873 -13.339 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.883 15.451 -13.966 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.621 13.451 -16.566 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.073 14.086 -15.785 1.00 0.00 H new ATOM 1003 N GLU A 62 -1.918 13.557 -11.814 1.00 0.00 N ATOM 1004 CA GLU A 62 -2.724 14.410 -10.950 1.00 0.00 C ATOM 1005 C GLU A 62 -3.195 13.656 -9.713 1.00 0.00 C ATOM 1006 O GLU A 62 -3.435 14.253 -8.664 1.00 0.00 O ATOM 1007 CB GLU A 62 -3.931 14.957 -11.716 1.00 0.00 C ATOM 1008 CG GLU A 62 -3.596 16.051 -12.720 1.00 0.00 C ATOM 1009 CD GLU A 62 -3.066 17.298 -12.070 1.00 0.00 C ATOM 1010 OE1 GLU A 62 -3.521 17.628 -11.000 1.00 0.00 O ATOM 1011 OE2 GLU A 62 -2.206 17.923 -12.644 1.00 0.00 O1- ATOM 0 H GLU A 62 -2.355 13.328 -12.707 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.098 15.241 -10.627 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.415 14.134 -12.242 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.654 15.347 -11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.858 15.674 -13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.490 16.298 -13.293 1.00 0.00 H new ATOM 1018 N ILE A 63 -3.323 12.339 -9.843 1.00 0.00 N ATOM 1019 CA ILE A 63 -3.526 11.472 -8.689 1.00 0.00 C ATOM 1020 C ILE A 63 -2.204 11.150 -8.003 1.00 0.00 C ATOM 1021 O ILE A 63 -1.957 11.582 -6.877 1.00 0.00 O ATOM 1022 CB ILE A 63 -4.223 10.162 -9.102 1.00 0.00 C ATOM 1023 CG1 ILE A 63 -5.646 10.447 -9.591 1.00 0.00 C ATOM 1024 CG2 ILE A 63 -4.242 9.181 -7.940 1.00 0.00 C ATOM 1025 CD1 ILE A 63 -6.304 9.268 -10.271 1.00 0.00 C ATOM 0 H ILE A 63 -3.290 11.849 -10.737 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.164 12.009 -7.987 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.661 9.712 -9.921 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.258 10.753 -8.742 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.621 11.287 -10.285 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.738 8.261 -8.249 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.219 8.958 -7.636 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.782 9.621 -7.102 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.309 9.546 -10.590 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.716 8.975 -11.140 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.363 8.432 -9.574 1.00 0.00 H new ATOM 1037 N PHE A 64 -1.358 10.389 -8.689 1.00 0.00 N ATOM 1038 CA PHE A 64 -0.073 9.981 -8.134 1.00 0.00 C ATOM 1039 C PHE A 64 0.684 11.172 -7.561 1.00 0.00 C ATOM 1040 O PHE A 64 0.840 11.295 -6.347 1.00 0.00 O ATOM 1041 CB PHE A 64 0.778 9.296 -9.204 1.00 0.00 C ATOM 1042 CG PHE A 64 2.230 9.172 -8.837 1.00 0.00 C ATOM 1043 CD1 PHE A 64 2.617 8.469 -7.707 1.00 0.00 C ATOM 1044 CD2 PHE A 64 3.211 9.761 -9.622 1.00 0.00 C ATOM 1045 CE1 PHE A 64 3.953 8.356 -7.368 1.00 0.00 C ATOM 1046 CE2 PHE A 64 4.547 9.647 -9.286 1.00 0.00 C ATOM 1047 CZ PHE A 64 4.917 8.944 -8.158 1.00 0.00 C ATOM 0 H PHE A 64 -1.539 10.042 -9.631 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.271 9.277 -7.326 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.375 8.301 -9.394 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.695 9.857 -10.135 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.867 8.004 -7.084 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.928 10.314 -10.505 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.241 7.807 -6.484 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.301 10.108 -9.906 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.961 8.855 -7.895 1.00 0.00 H new ATOM 1057 N ASP A 65 1.153 12.047 -8.444 1.00 0.00 N ATOM 1058 CA ASP A 65 2.099 13.088 -8.061 1.00 0.00 C ATOM 1059 C ASP A 65 1.500 14.020 -7.015 1.00 0.00 C ATOM 1060 O ASP A 65 2.165 14.393 -6.049 1.00 0.00 O ATOM 1061 CB ASP A 65 2.530 13.898 -9.287 1.00 0.00 C ATOM 1062 CG ASP A 65 3.704 14.826 -9.001 1.00 0.00 C ATOM 1063 OD1 ASP A 65 4.778 14.332 -8.748 1.00 0.00 O ATOM 1064 OD2 ASP A 65 3.516 16.018 -9.039 1.00 0.00 O1- ATOM 0 H ASP A 65 0.893 12.056 -9.430 1.00 0.00 H new ATOM 0 HA ASP A 65 2.972 12.599 -7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.801 13.214 -10.091 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.685 14.488 -9.642 1.00 0.00 H new ATOM 1069 N ARG A 66 0.240 14.392 -7.214 1.00 0.00 N ATOM 1070 CA ARG A 66 -0.455 15.270 -6.280 1.00 0.00 C ATOM 1071 C ARG A 66 -0.614 14.609 -4.917 1.00 0.00 C ATOM 1072 O ARG A 66 -0.190 15.155 -3.898 1.00 0.00 O ATOM 1073 CB ARG A 66 -1.827 15.647 -6.821 1.00 0.00 C ATOM 1074 CG ARG A 66 -2.545 16.736 -6.040 1.00 0.00 C ATOM 1075 CD ARG A 66 -3.793 17.168 -6.719 1.00 0.00 C ATOM 1076 NE ARG A 66 -3.519 17.847 -7.976 1.00 0.00 N ATOM 1077 CZ ARG A 66 -3.171 19.144 -8.084 1.00 0.00 C ATOM 1078 NH1 ARG A 66 -3.059 19.887 -7.005 1.00 0.00 N1+ ATOM 1079 NH2 ARG A 66 -2.942 19.670 -9.275 1.00 0.00 N ATOM 0 H ARG A 66 -0.321 14.099 -8.014 1.00 0.00 H new ATOM 0 HA ARG A 66 0.149 16.170 -6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.717 15.974 -7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.454 14.756 -6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.782 16.371 -5.041 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.882 17.593 -5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.424 16.299 -6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.353 17.833 -6.061 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.596 17.303 -8.836 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.236 19.481 -6.086 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.795 20.869 -7.087 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.029 19.094 -10.112 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.679 20.652 -9.357 1.00 0.00 H new ATOM 1093 N TYR A 67 -1.227 13.430 -4.905 1.00 0.00 N ATOM 1094 CA TYR A 67 -1.622 12.785 -3.658 1.00 0.00 C ATOM 1095 C TYR A 67 -0.714 11.605 -3.337 1.00 0.00 C ATOM 1096 O TYR A 67 -0.096 11.557 -2.274 1.00 0.00 O ATOM 1097 CB TYR A 67 -3.081 12.327 -3.731 1.00 0.00 C ATOM 1098 CG TYR A 67 -4.069 13.462 -3.890 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -4.831 13.562 -5.045 1.00 0.00 C ATOM 1100 CD2 TYR A 67 -4.214 14.402 -2.880 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -5.733 14.598 -5.190 1.00 0.00 C ATOM 1102 CE2 TYR A 67 -5.117 15.438 -3.024 1.00 0.00 C ATOM 1103 CZ TYR A 67 -5.874 15.537 -4.174 1.00 0.00 C ATOM 1104 OH TYR A 67 -6.773 16.569 -4.318 1.00 0.00 O ATOM 0 H TYR A 67 -1.461 12.901 -5.745 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.522 13.517 -2.856 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.195 11.638 -4.568 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.323 11.771 -2.826 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.719 12.830 -5.831 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.621 14.324 -1.981 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.326 14.678 -6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.230 16.170 -2.238 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.751 17.136 -3.519 1.00 0.00 H new ATOM 1114 N GLY A 68 -0.639 10.654 -4.261 1.00 0.00 N ATOM 1115 CA GLY A 68 0.223 9.490 -4.094 1.00 0.00 C ATOM 1116 C GLY A 68 -0.377 8.260 -4.763 1.00 0.00 C ATOM 1117 O GLY A 68 -1.346 8.361 -5.516 1.00 0.00 O ATOM 0 H GLY A 68 -1.165 10.666 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.205 9.697 -4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.372 9.294 -3.032 1.00 0.00 H new ATOM 1121 N GLU A 69 0.205 7.098 -4.486 1.00 0.00 N ATOM 1122 CA GLU A 69 -0.167 5.870 -5.178 1.00 0.00 C ATOM 1123 C GLU A 69 -1.449 5.281 -4.604 1.00 0.00 C ATOM 1124 O GLU A 69 -2.237 4.667 -5.322 1.00 0.00 O ATOM 1125 CB GLU A 69 0.963 4.843 -5.085 1.00 0.00 C ATOM 1126 CG GLU A 69 2.330 5.371 -5.496 1.00 0.00 C ATOM 1127 CD GLU A 69 3.020 6.128 -4.395 1.00 0.00 C ATOM 1128 OE1 GLU A 69 2.410 6.341 -3.375 1.00 0.00 O ATOM 1129 OE2 GLU A 69 4.157 6.492 -4.575 1.00 0.00 O1- ATOM 0 H GLU A 69 0.937 6.981 -3.786 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.342 6.118 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.022 4.478 -4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.713 3.989 -5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.959 4.536 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.217 6.023 -6.362 1.00 0.00 H new ATOM 1136 N GLU A 70 -1.653 5.473 -3.305 1.00 0.00 N ATOM 1137 CA GLU A 70 -2.810 4.910 -2.619 1.00 0.00 C ATOM 1138 C GLU A 70 -4.111 5.451 -3.199 1.00 0.00 C ATOM 1139 O GLU A 70 -5.151 4.794 -3.137 1.00 0.00 O ATOM 1140 CB GLU A 70 -2.744 5.215 -1.121 1.00 0.00 C ATOM 1141 CG GLU A 70 -1.632 4.486 -0.379 1.00 0.00 C ATOM 1142 CD GLU A 70 -1.534 4.884 1.067 1.00 0.00 C ATOM 1143 OE1 GLU A 70 -2.230 5.789 1.463 1.00 0.00 O ATOM 1144 OE2 GLU A 70 -0.764 4.282 1.777 1.00 0.00 O1- ATOM 0 H GLU A 70 -1.031 6.015 -2.705 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.790 3.830 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.611 6.288 -0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.700 4.953 -0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.803 3.411 -0.444 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.681 4.688 -0.871 1.00 0.00 H new ATOM 1151 N GLY A 71 -4.046 6.651 -3.765 1.00 0.00 N ATOM 1152 CA GLY A 71 -5.225 7.295 -4.333 1.00 0.00 C ATOM 1153 C GLY A 71 -5.503 6.790 -5.743 1.00 0.00 C ATOM 1154 O GLY A 71 -6.532 7.113 -6.336 1.00 0.00 O ATOM 0 H GLY A 71 -3.189 7.198 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.090 7.102 -3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.079 8.375 -4.353 1.00 0.00 H new ATOM 1158 N LEU A 72 -4.579 5.997 -6.274 1.00 0.00 N ATOM 1159 CA LEU A 72 -4.718 5.452 -7.620 1.00 0.00 C ATOM 1160 C LEU A 72 -5.153 3.993 -7.581 1.00 0.00 C ATOM 1161 O LEU A 72 -5.793 3.500 -8.511 1.00 0.00 O ATOM 1162 CB LEU A 72 -3.393 5.578 -8.382 1.00 0.00 C ATOM 1163 CG LEU A 72 -3.407 5.067 -9.828 1.00 0.00 C ATOM 1164 CD1 LEU A 72 -4.528 5.751 -10.599 1.00 0.00 C ATOM 1165 CD2 LEU A 72 -2.056 5.335 -10.475 1.00 0.00 C ATOM 0 H LEU A 72 -3.725 5.717 -5.792 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.488 6.026 -8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.098 6.627 -8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.625 5.035 -7.831 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.587 3.992 -9.841 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.537 5.387 -11.627 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.484 5.527 -10.126 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.366 6.829 -10.597 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.066 4.972 -11.503 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.857 6.407 -10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.276 4.819 -9.915 1.00 0.00 H new ATOM 1177 N LYS A 73 -4.801 3.305 -6.500 1.00 0.00 N ATOM 1178 CA LYS A 73 -5.288 1.951 -6.263 1.00 0.00 C ATOM 1179 C LYS A 73 -6.604 1.965 -5.496 1.00 0.00 C ATOM 1180 O LYS A 73 -7.473 1.122 -5.719 1.00 0.00 O ATOM 1181 CB LYS A 73 -4.245 1.133 -5.500 1.00 0.00 C ATOM 1182 CG LYS A 73 -4.658 -0.306 -5.217 1.00 0.00 C ATOM 1183 CD LYS A 73 -3.528 -1.086 -4.561 1.00 0.00 C ATOM 1184 CE LYS A 73 -3.941 -2.521 -4.273 1.00 0.00 C ATOM 1185 NZ LYS A 73 -2.850 -3.293 -3.616 1.00 0.00 N1+ ATOM 0 H LYS A 73 -4.180 3.663 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.464 1.486 -7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.317 1.126 -6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.032 1.630 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.533 -0.314 -4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.947 -0.794 -6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.654 -1.081 -5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.236 -0.596 -3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.823 -2.523 -3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.222 -3.012 -5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.172 -4.266 -3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.016 -3.313 -4.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.599 -2.840 -2.714 1.00 0.00 H new ATOM 1199 N GLY A 74 -6.746 2.928 -4.592 1.00 0.00 N ATOM 1200 CA GLY A 74 -7.870 2.949 -3.663 1.00 0.00 C ATOM 1201 C GLY A 74 -7.554 2.166 -2.396 1.00 0.00 C ATOM 1202 O GLY A 74 -8.406 1.454 -1.865 1.00 0.00 O ATOM 0 H GLY A 74 -6.095 3.706 -4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.112 3.980 -3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.751 2.525 -4.145 1.00 0.00 H new ATOM 1371 N SER A 91 -6.565 -4.233 -8.774 1.00 0.00 N ATOM 1372 CA SER A 91 -5.156 -3.867 -8.857 1.00 0.00 C ATOM 1373 C SER A 91 -4.978 -2.515 -9.536 1.00 0.00 C ATOM 1374 O SER A 91 -5.916 -1.976 -10.124 1.00 0.00 O ATOM 1375 CB SER A 91 -4.384 -4.930 -9.614 1.00 0.00 C ATOM 1376 OG SER A 91 -4.732 -4.932 -10.971 1.00 0.00 O ATOM 0 HA SER A 91 -4.767 -3.793 -7.842 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.314 -4.751 -9.510 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.587 -5.910 -9.181 1.00 0.00 H new ATOM 0 HG SER A 91 -5.671 -4.668 -11.068 1.00 0.00 H new ATOM 1382 N TYR A 92 -3.768 -1.973 -9.453 1.00 0.00 N ATOM 1383 CA TYR A 92 -3.400 -0.797 -10.234 1.00 0.00 C ATOM 1384 C TYR A 92 -3.807 -0.956 -11.693 1.00 0.00 C ATOM 1385 O TYR A 92 -3.687 -2.039 -12.267 1.00 0.00 O ATOM 1386 CB TYR A 92 -1.897 -0.533 -10.128 1.00 0.00 C ATOM 1387 CG TYR A 92 -1.479 0.097 -8.818 1.00 0.00 C ATOM 1388 CD1 TYR A 92 -0.904 -0.683 -7.826 1.00 0.00 C ATOM 1389 CD2 TYR A 92 -1.670 1.455 -8.609 1.00 0.00 C ATOM 1390 CE1 TYR A 92 -0.522 -0.107 -6.629 1.00 0.00 C ATOM 1391 CE2 TYR A 92 -1.288 2.030 -7.412 1.00 0.00 C ATOM 1392 CZ TYR A 92 -0.716 1.254 -6.425 1.00 0.00 C ATOM 1393 OH TYR A 92 -0.335 1.827 -5.233 1.00 0.00 O ATOM 0 H TYR A 92 -3.025 -2.329 -8.852 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.937 0.059 -9.824 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -1.362 -1.474 -10.255 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.593 0.119 -10.947 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.755 -1.740 -7.989 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.117 2.063 -9.382 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.074 -0.713 -5.855 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -1.437 3.087 -7.249 1.00 0.00 H new ATOM 0 HH TYR A 92 0.429 1.336 -4.864 1.00 0.00 H new ATOM 1403 N THR A 93 -4.289 0.130 -12.289 1.00 0.00 N ATOM 1404 CA THR A 93 -4.563 0.159 -13.721 1.00 0.00 C ATOM 1405 C THR A 93 -3.290 -0.051 -14.531 1.00 0.00 C ATOM 1406 O THR A 93 -2.721 0.899 -15.069 1.00 0.00 O ATOM 1407 CB THR A 93 -5.224 1.488 -14.132 1.00 0.00 C ATOM 1408 OG1 THR A 93 -6.513 1.594 -13.515 1.00 0.00 O ATOM 1409 CG2 THR A 93 -5.379 1.562 -15.643 1.00 0.00 C ATOM 0 H THR A 93 -4.498 1.002 -11.802 1.00 0.00 H new ATOM 0 HA THR A 93 -5.252 -0.658 -13.934 1.00 0.00 H new ATOM 0 HB THR A 93 -4.588 2.310 -13.803 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.932 2.441 -13.776 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.848 2.508 -15.915 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.398 1.495 -16.113 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.003 0.736 -15.986 1.00 0.00 H new ATOM 1486 N HIS A 99 4.314 0.367 -22.345 1.00 0.00 N ATOM 1487 CA HIS A 99 5.222 -0.489 -23.100 1.00 0.00 C ATOM 1488 C HIS A 99 4.894 -0.462 -24.588 1.00 0.00 C ATOM 1489 O HIS A 99 5.786 -0.549 -25.432 1.00 0.00 O ATOM 1490 CB HIS A 99 5.163 -1.930 -22.585 1.00 0.00 C ATOM 1491 CG HIS A 99 6.146 -2.846 -23.245 1.00 0.00 C ATOM 1492 ND1 HIS A 99 7.510 -2.689 -23.120 1.00 0.00 N ATOM 1493 CD2 HIS A 99 5.963 -3.929 -24.037 1.00 0.00 C ATOM 1494 CE1 HIS A 99 8.124 -3.636 -23.807 1.00 0.00 C ATOM 1495 NE2 HIS A 99 7.208 -4.401 -24.372 1.00 0.00 N ATOM 0 HA HIS A 99 6.231 -0.102 -22.959 1.00 0.00 H new ATOM 0 HB2 HIS A 99 5.345 -1.930 -21.510 1.00 0.00 H new ATOM 0 HB3 HIS A 99 4.157 -2.320 -22.738 1.00 0.00 H new ATOM 0 HD2 HIS A 99 5.015 -4.344 -24.347 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.193 -3.763 -23.892 1.00 0.00 H new ATOM 0 HE2 HIS A 99 7.395 -5.212 -24.962 1.00 0.00 H new ATOM 1502 N ALA A 100 3.608 -0.342 -24.904 1.00 0.00 N ATOM 1503 CA ALA A 100 3.180 -0.013 -26.258 1.00 0.00 C ATOM 1504 C ALA A 100 3.763 1.317 -26.713 1.00 0.00 C ATOM 1505 O ALA A 100 4.350 1.413 -27.791 1.00 0.00 O ATOM 1506 CB ALA A 100 1.660 0.018 -26.339 1.00 0.00 C ATOM 0 H ALA A 100 2.844 -0.468 -24.240 1.00 0.00 H new ATOM 0 HA ALA A 100 3.553 -0.789 -26.927 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.355 0.265 -27.356 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.261 -0.959 -26.068 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.274 0.771 -25.651 1.00 0.00 H new ATOM 1512 N MET A 101 3.597 2.344 -25.886 1.00 0.00 N ATOM 1513 CA MET A 101 4.187 3.649 -26.156 1.00 0.00 C ATOM 1514 C MET A 101 5.706 3.564 -26.225 1.00 0.00 C ATOM 1515 O MET A 101 6.339 4.225 -27.049 1.00 0.00 O ATOM 1516 CB MET A 101 3.757 4.655 -25.090 1.00 0.00 C ATOM 1517 CG MET A 101 2.294 5.066 -25.166 1.00 0.00 C ATOM 1518 SD MET A 101 1.907 6.460 -24.087 1.00 0.00 S ATOM 1519 CE MET A 101 1.976 5.673 -22.481 1.00 0.00 C ATOM 0 H MET A 101 3.057 2.297 -25.022 1.00 0.00 H new ATOM 0 HA MET A 101 3.826 3.988 -27.127 1.00 0.00 H new ATOM 0 HB2 MET A 101 3.951 4.228 -24.106 1.00 0.00 H new ATOM 0 HB3 MET A 101 4.377 5.547 -25.179 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.047 5.328 -26.195 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.667 4.216 -24.895 1.00 0.00 H new ATOM 0 HE1 MET A 101 1.689 6.390 -21.712 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.291 4.826 -22.461 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.991 5.323 -22.290 1.00 0.00 H new ATOM 1529 N PHE A 102 6.288 2.745 -25.354 1.00 0.00 N ATOM 1530 CA PHE A 102 7.723 2.492 -25.381 1.00 0.00 C ATOM 1531 C PHE A 102 8.152 1.896 -26.716 1.00 0.00 C ATOM 1532 O PHE A 102 9.123 2.345 -27.324 1.00 0.00 O ATOM 1533 CB PHE A 102 8.121 1.549 -24.244 1.00 0.00 C ATOM 1534 CG PHE A 102 9.591 1.250 -24.191 1.00 0.00 C ATOM 1535 CD1 PHE A 102 10.511 2.264 -23.964 1.00 0.00 C ATOM 1536 CD2 PHE A 102 10.060 -0.043 -24.366 1.00 0.00 C ATOM 1537 CE1 PHE A 102 11.866 1.991 -23.915 1.00 0.00 C ATOM 1538 CE2 PHE A 102 11.412 -0.319 -24.317 1.00 0.00 C ATOM 1539 CZ PHE A 102 12.316 0.700 -24.090 1.00 0.00 C ATOM 0 H PHE A 102 5.786 2.245 -24.620 1.00 0.00 H new ATOM 0 HA PHE A 102 8.231 3.448 -25.250 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.815 1.990 -23.295 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.573 0.613 -24.352 1.00 0.00 H new ATOM 0 HD1 PHE A 102 10.165 3.277 -23.824 1.00 0.00 H new ATOM 0 HD2 PHE A 102 9.359 -0.845 -24.543 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.572 2.790 -23.740 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.762 -1.331 -24.456 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.374 0.486 -24.050 1.00 0.00 H new ATOM 1549 N ALA A 103 7.421 0.882 -27.167 1.00 0.00 N ATOM 1550 CA ALA A 103 7.650 0.298 -28.484 1.00 0.00 C ATOM 1551 C ALA A 103 7.573 1.357 -29.576 1.00 0.00 C ATOM 1552 O ALA A 103 8.282 1.279 -30.579 1.00 0.00 O ATOM 1553 CB ALA A 103 6.647 -0.815 -28.752 1.00 0.00 C ATOM 0 H ALA A 103 6.664 0.447 -26.639 1.00 0.00 H new ATOM 0 HA ALA A 103 8.655 -0.124 -28.495 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.831 -1.241 -29.738 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.755 -1.592 -27.995 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.636 -0.410 -28.714 1.00 0.00 H new ATOM 1559 N GLU A 104 6.708 2.345 -29.376 1.00 0.00 N ATOM 1560 CA GLU A 104 6.574 3.449 -30.318 1.00 0.00 C ATOM 1561 C GLU A 104 7.740 4.421 -30.196 1.00 0.00 C ATOM 1562 O GLU A 104 8.278 4.891 -31.199 1.00 0.00 O ATOM 1563 CB GLU A 104 5.254 4.188 -30.090 1.00 0.00 C ATOM 1564 CG GLU A 104 4.014 3.392 -30.469 1.00 0.00 C ATOM 1565 CD GLU A 104 2.734 4.096 -30.110 1.00 0.00 C ATOM 1566 OE1 GLU A 104 2.790 5.049 -29.372 1.00 0.00 O ATOM 1567 OE2 GLU A 104 1.699 3.679 -30.575 1.00 0.00 O1- ATOM 0 H GLU A 104 6.088 2.404 -28.568 1.00 0.00 H new ATOM 0 HA GLU A 104 6.580 3.031 -31.325 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.185 4.467 -29.038 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.266 5.114 -30.665 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.027 3.197 -31.541 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.043 2.424 -29.969 1.00 0.00 H new ATOM 1574 N PHE A 105 8.127 4.722 -28.960 1.00 0.00 N ATOM 1575 CA PHE A 105 9.188 5.687 -28.704 1.00 0.00 C ATOM 1576 C PHE A 105 10.544 5.143 -29.133 1.00 0.00 C ATOM 1577 O PHE A 105 11.246 5.759 -29.935 1.00 0.00 O ATOM 1578 CB PHE A 105 9.229 6.054 -27.219 1.00 0.00 C ATOM 1579 CG PHE A 105 7.999 6.770 -26.738 1.00 0.00 C ATOM 1580 CD1 PHE A 105 7.175 7.441 -27.631 1.00 0.00 C ATOM 1581 CD2 PHE A 105 7.662 6.777 -25.393 1.00 0.00 C ATOM 1582 CE1 PHE A 105 6.044 8.101 -27.190 1.00 0.00 C ATOM 1583 CE2 PHE A 105 6.531 7.434 -24.949 1.00 0.00 C ATOM 1584 CZ PHE A 105 5.721 8.097 -25.850 1.00 0.00 C ATOM 0 H PHE A 105 7.720 4.310 -28.120 1.00 0.00 H new ATOM 0 HA PHE A 105 8.972 6.580 -29.291 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.361 5.145 -26.633 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.100 6.682 -27.033 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.421 7.447 -28.683 1.00 0.00 H new ATOM 0 HD2 PHE A 105 8.292 6.262 -24.683 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.413 8.620 -27.896 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.280 7.429 -23.898 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.836 8.611 -25.505 1.00 0.00 H new ATOM 1594 N PHE A 106 10.908 3.983 -28.595 1.00 0.00 N ATOM 1595 CA PHE A 106 12.265 3.468 -28.733 1.00 0.00 C ATOM 1596 C PHE A 106 12.276 2.137 -29.475 1.00 0.00 C ATOM 1597 O PHE A 106 13.230 1.818 -30.184 1.00 0.00 O ATOM 1598 CB PHE A 106 12.912 3.295 -27.358 1.00 0.00 C ATOM 1599 CG PHE A 106 13.078 4.581 -26.600 1.00 0.00 C ATOM 1600 CD1 PHE A 106 12.153 4.959 -25.638 1.00 0.00 C ATOM 1601 CD2 PHE A 106 14.157 5.416 -26.847 1.00 0.00 C ATOM 1602 CE1 PHE A 106 12.303 6.142 -24.940 1.00 0.00 C ATOM 1603 CE2 PHE A 106 14.311 6.599 -26.151 1.00 0.00 C ATOM 1604 CZ PHE A 106 13.382 6.962 -25.196 1.00 0.00 C ATOM 0 H PHE A 106 10.282 3.382 -28.059 1.00 0.00 H new ATOM 0 HA PHE A 106 12.837 4.192 -29.313 1.00 0.00 H new ATOM 0 HB2 PHE A 106 12.306 2.610 -26.765 1.00 0.00 H new ATOM 0 HB3 PHE A 106 13.889 2.829 -27.483 1.00 0.00 H new ATOM 0 HD1 PHE A 106 11.306 4.321 -25.432 1.00 0.00 H new ATOM 0 HD2 PHE A 106 14.886 5.138 -27.593 1.00 0.00 H new ATOM 0 HE1 PHE A 106 11.575 6.425 -24.194 1.00 0.00 H new ATOM 0 HE2 PHE A 106 15.157 7.239 -26.353 1.00 0.00 H new ATOM 0 HZ PHE A 106 13.500 7.887 -24.650 1.00 0.00 H new ATOM 1614 N GLY A 107 11.208 1.364 -29.309 1.00 0.00 N ATOM 1615 CA GLY A 107 11.072 0.087 -29.999 1.00 0.00 C ATOM 1616 C GLY A 107 11.874 -1.004 -29.305 1.00 0.00 C ATOM 1617 O GLY A 107 12.336 -1.951 -29.942 1.00 0.00 O ATOM 0 H GLY A 107 10.423 1.600 -28.702 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.021 -0.199 -30.036 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.410 0.190 -31.030 1.00 0.00 H new ATOM 1621 N GLY A 108 12.039 -0.866 -27.993 1.00 0.00 N ATOM 1622 CA GLY A 108 12.772 -1.850 -27.205 1.00 0.00 C ATOM 1623 C GLY A 108 14.266 -1.785 -27.492 1.00 0.00 C ATOM 1624 O GLY A 108 14.980 -2.777 -27.350 1.00 0.00 O ATOM 0 H GLY A 108 11.674 -0.081 -27.453 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.595 -1.674 -26.144 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.399 -2.850 -27.429 1.00 0.00 H new