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 -57:sc= 1.2 USER MOD Set 1.2: A 101 MET CE :methyl 167:sc= -0.0108 (180deg=-0.266) USER MOD Single : A 5 TYR OH : rot 19:sc= -0.241 USER MOD Single : A 6 TYR OH : rot 42:sc= 1.24 USER MOD Single : A 7 GLN : amide:sc= -0.0617 X(o=-0.062,f=-0.13) USER MOD Single : A 8 THR OG1 : rot -9:sc= 0.244 USER MOD Single : A 16 SER OG : rot -65:sc= 0.331 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 130:sc= -0.0121 USER MOD Single : A 27 GLN : amide:sc= 0.571 K(o=0.57,f=-7.5!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0.122 K(o=0.12,f=-8!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.806 K(o=0.81,f=-0.77) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 0.972 (180deg=0.972) USER MOD Single : A 52 TYR OH : rot 151:sc= 0.468 USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.1) 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 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -157:sc= 0.0262 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.0231 X(o=-0.023,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 49 N ASP A 4 6.512 2.573 -4.369 1.00 0.00 N ATOM 50 CA ASP A 4 7.243 3.793 -4.693 1.00 0.00 C ATOM 51 C ASP A 4 7.714 3.784 -6.142 1.00 0.00 C ATOM 52 O ASP A 4 8.757 3.214 -6.462 1.00 0.00 O ATOM 53 CB ASP A 4 8.445 3.962 -3.760 1.00 0.00 C ATOM 54 CG ASP A 4 9.208 5.256 -4.006 1.00 0.00 C ATOM 55 OD1 ASP A 4 9.089 5.798 -5.079 1.00 0.00 O ATOM 56 OD2 ASP A 4 9.901 5.691 -3.118 1.00 0.00 O1- ATOM 0 HA ASP A 4 6.562 4.633 -4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.102 3.939 -2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.121 3.117 -3.890 1.00 0.00 H new ATOM 61 N TYR A 5 6.940 4.421 -7.014 1.00 0.00 N ATOM 62 CA TYR A 5 7.189 4.356 -8.449 1.00 0.00 C ATOM 63 C TYR A 5 8.548 4.947 -8.799 1.00 0.00 C ATOM 64 O TYR A 5 9.166 4.562 -9.792 1.00 0.00 O ATOM 65 CB TYR A 5 6.082 5.081 -9.218 1.00 0.00 C ATOM 66 CG TYR A 5 4.700 4.517 -8.975 1.00 0.00 C ATOM 67 CD1 TYR A 5 4.533 3.431 -8.127 1.00 0.00 C ATOM 68 CD2 TYR A 5 3.599 5.084 -9.600 1.00 0.00 C ATOM 69 CE1 TYR A 5 3.270 2.916 -7.906 1.00 0.00 C ATOM 70 CE2 TYR A 5 2.337 4.569 -9.379 1.00 0.00 C ATOM 71 CZ TYR A 5 2.171 3.489 -8.535 1.00 0.00 C ATOM 72 OH TYR A 5 0.914 2.976 -8.315 1.00 0.00 O ATOM 0 H TYR A 5 6.134 4.989 -6.752 1.00 0.00 H new ATOM 0 HA TYR A 5 7.191 3.306 -8.741 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.089 6.135 -8.939 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.302 5.033 -10.285 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.390 2.989 -7.640 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.729 5.929 -10.260 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.137 2.071 -7.247 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.480 5.011 -9.866 1.00 0.00 H new ATOM 0 HH TYR A 5 0.918 2.441 -7.494 1.00 0.00 H new ATOM 82 N TYR A 6 9.011 5.882 -7.978 1.00 0.00 N ATOM 83 CA TYR A 6 10.304 6.522 -8.193 1.00 0.00 C ATOM 84 C TYR A 6 11.448 5.596 -7.800 1.00 0.00 C ATOM 85 O TYR A 6 12.526 5.639 -8.394 1.00 0.00 O ATOM 86 CB TYR A 6 10.390 7.834 -7.411 1.00 0.00 C ATOM 87 CG TYR A 6 9.251 8.789 -7.693 1.00 0.00 C ATOM 88 CD1 TYR A 6 8.442 9.229 -6.657 1.00 0.00 C ATOM 89 CD2 TYR A 6 9.018 9.225 -8.989 1.00 0.00 C ATOM 90 CE1 TYR A 6 7.402 10.102 -6.915 1.00 0.00 C ATOM 91 CE2 TYR A 6 7.979 10.097 -9.247 1.00 0.00 C ATOM 92 CZ TYR A 6 7.174 10.535 -8.217 1.00 0.00 C ATOM 93 OH TYR A 6 6.138 11.404 -8.474 1.00 0.00 O ATOM 0 H TYR A 6 8.509 6.215 -7.155 1.00 0.00 H new ATOM 0 HA TYR A 6 10.396 6.741 -9.257 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.408 7.610 -6.344 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.333 8.327 -7.649 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.624 8.890 -5.648 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.649 8.883 -9.796 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.770 10.446 -6.110 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.797 10.436 -10.256 1.00 0.00 H new ATOM 0 HH TYR A 6 6.105 12.089 -7.774 1.00 0.00 H new ATOM 103 N GLN A 7 11.207 4.759 -6.797 1.00 0.00 N ATOM 104 CA GLN A 7 12.166 3.731 -6.409 1.00 0.00 C ATOM 105 C GLN A 7 12.235 2.621 -7.451 1.00 0.00 C ATOM 106 O GLN A 7 13.241 1.920 -7.559 1.00 0.00 O ATOM 107 CB GLN A 7 11.801 3.144 -5.043 1.00 0.00 C ATOM 108 CG GLN A 7 12.805 2.138 -4.509 1.00 0.00 C ATOM 109 CD GLN A 7 14.167 2.756 -4.259 1.00 0.00 C ATOM 110 OE1 GLN A 7 14.280 3.807 -3.621 1.00 0.00 O ATOM 111 NE2 GLN A 7 15.212 2.108 -4.762 1.00 0.00 N ATOM 0 H GLN A 7 10.355 4.772 -6.237 1.00 0.00 H new ATOM 0 HA GLN A 7 13.147 4.200 -6.343 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.702 3.958 -4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.825 2.663 -5.116 1.00 0.00 H new ATOM 0 HG2 GLN A 7 12.427 1.710 -3.580 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.906 1.318 -5.220 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.073 1.242 -5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 7 16.154 2.476 -4.627 1.00 0.00 H new ATOM 120 N THR A 8 11.160 2.467 -8.216 1.00 0.00 N ATOM 121 CA THR A 8 11.078 1.411 -9.217 1.00 0.00 C ATOM 122 C THR A 8 11.512 1.916 -10.587 1.00 0.00 C ATOM 123 O THR A 8 11.994 1.147 -11.419 1.00 0.00 O ATOM 124 CB THR A 8 9.650 0.840 -9.305 1.00 0.00 C ATOM 125 OG1 THR A 8 8.742 1.878 -9.699 1.00 0.00 O ATOM 126 CG2 THR A 8 9.218 0.276 -7.961 1.00 0.00 C ATOM 0 H THR A 8 10.333 3.061 -8.162 1.00 0.00 H new ATOM 0 HA THR A 8 11.756 0.617 -8.905 1.00 0.00 H new ATOM 0 HB THR A 8 9.639 0.038 -10.044 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.206 2.741 -9.686 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.207 -0.123 -8.042 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.900 -0.521 -7.665 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.237 1.067 -7.211 1.00 0.00 H new ATOM 134 N LEU A 9 11.340 3.213 -10.816 1.00 0.00 N ATOM 135 CA LEU A 9 11.848 3.853 -12.024 1.00 0.00 C ATOM 136 C LEU A 9 13.322 4.211 -11.879 1.00 0.00 C ATOM 137 O LEU A 9 14.100 4.072 -12.823 1.00 0.00 O ATOM 138 CB LEU A 9 11.037 5.116 -12.337 1.00 0.00 C ATOM 139 CG LEU A 9 11.349 5.792 -13.678 1.00 0.00 C ATOM 140 CD1 LEU A 9 11.137 4.796 -14.810 1.00 0.00 C ATOM 141 CD2 LEU A 9 10.459 7.013 -13.851 1.00 0.00 C ATOM 0 H LEU A 9 10.852 3.843 -10.180 1.00 0.00 H new ATOM 0 HA LEU A 9 11.745 3.145 -12.846 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.978 4.859 -12.318 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.204 5.840 -11.539 1.00 0.00 H new ATOM 0 HG LEU A 9 12.389 6.119 -13.697 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.359 5.276 -15.763 1.00 0.00 H new ATOM 0 HD12 LEU A 9 11.799 3.941 -14.671 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.101 4.457 -14.807 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.681 7.493 -14.804 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.413 6.706 -13.834 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.644 7.716 -13.039 1.00 0.00 H new ATOM 153 N GLY A 10 13.699 4.670 -10.691 1.00 0.00 N ATOM 154 CA GLY A 10 15.101 4.915 -10.374 1.00 0.00 C ATOM 155 C GLY A 10 15.417 6.405 -10.386 1.00 0.00 C ATOM 156 O GLY A 10 16.529 6.811 -10.724 1.00 0.00 O ATOM 0 H GLY A 10 13.052 4.880 -9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.333 4.499 -9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.735 4.400 -11.096 1.00 0.00 H new ATOM 160 N LEU A 11 14.433 7.217 -10.015 1.00 0.00 N ATOM 161 CA LEU A 11 14.596 8.665 -10.005 1.00 0.00 C ATOM 162 C LEU A 11 14.136 9.262 -8.682 1.00 0.00 C ATOM 163 O LEU A 11 13.594 8.560 -7.828 1.00 0.00 O ATOM 164 CB LEU A 11 13.808 9.296 -11.160 1.00 0.00 C ATOM 165 CG LEU A 11 14.301 8.946 -12.570 1.00 0.00 C ATOM 166 CD1 LEU A 11 13.340 9.523 -13.602 1.00 0.00 C ATOM 167 CD2 LEU A 11 15.707 9.493 -12.767 1.00 0.00 C ATOM 0 H LEU A 11 13.512 6.895 -9.717 1.00 0.00 H new ATOM 0 HA LEU A 11 15.657 8.883 -10.130 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.765 8.991 -11.073 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.834 10.380 -11.044 1.00 0.00 H new ATOM 0 HG LEU A 11 14.332 7.864 -12.696 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.690 9.275 -14.604 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.346 9.101 -13.450 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.295 10.606 -13.492 1.00 0.00 H new ATOM 0 HD21 LEU A 11 16.057 9.244 -13.769 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.696 10.576 -12.645 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.376 9.051 -12.029 1.00 0.00 H new ATOM 179 N ALA A 12 14.352 10.563 -8.518 1.00 0.00 N ATOM 180 CA ALA A 12 13.709 11.319 -7.450 1.00 0.00 C ATOM 181 C ALA A 12 12.306 11.754 -7.851 1.00 0.00 C ATOM 182 O ALA A 12 11.971 11.789 -9.036 1.00 0.00 O ATOM 183 CB ALA A 12 14.552 12.529 -7.075 1.00 0.00 C ATOM 0 H ALA A 12 14.969 11.116 -9.113 1.00 0.00 H new ATOM 0 HA ALA A 12 13.624 10.667 -6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.058 13.083 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.533 12.198 -6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 12 14.669 13.174 -7.945 1.00 0.00 H new ATOM 189 N ARG A 13 11.488 12.085 -6.858 1.00 0.00 N ATOM 190 CA ARG A 13 10.092 12.429 -7.099 1.00 0.00 C ATOM 191 C ARG A 13 9.972 13.724 -7.894 1.00 0.00 C ATOM 192 O ARG A 13 8.906 14.044 -8.420 1.00 0.00 O ATOM 193 CB ARG A 13 9.343 12.577 -5.782 1.00 0.00 C ATOM 194 CG ARG A 13 9.676 13.832 -4.993 1.00 0.00 C ATOM 195 CD ARG A 13 8.895 13.913 -3.732 1.00 0.00 C ATOM 196 NE ARG A 13 7.466 14.005 -3.984 1.00 0.00 N ATOM 197 CZ ARG A 13 6.523 14.069 -3.025 1.00 0.00 C ATOM 198 NH1 ARG A 13 6.871 14.051 -1.758 1.00 0.00 N1+ ATOM 199 NH2 ARG A 13 5.246 14.151 -3.358 1.00 0.00 N ATOM 0 H ARG A 13 11.768 12.122 -5.878 1.00 0.00 H new ATOM 0 HA ARG A 13 9.651 11.619 -7.679 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.272 12.568 -5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.556 11.707 -5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.741 13.845 -4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.472 14.711 -5.604 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.100 13.034 -3.121 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.219 14.782 -3.159 1.00 0.00 H new ATOM 0 HE ARG A 13 7.156 14.022 -4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.856 13.989 -1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.156 14.100 -1.032 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.975 14.166 -4.341 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.532 14.199 -2.632 1.00 0.00 H new ATOM 213 N GLY A 14 11.072 14.464 -7.980 1.00 0.00 N ATOM 214 CA GLY A 14 11.064 15.776 -8.613 1.00 0.00 C ATOM 215 C GLY A 14 11.929 15.788 -9.867 1.00 0.00 C ATOM 216 O GLY A 14 12.364 16.846 -10.323 1.00 0.00 O ATOM 0 H GLY A 14 11.981 14.176 -7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.042 16.052 -8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.429 16.524 -7.909 1.00 0.00 H new ATOM 220 N ALA A 15 12.176 14.606 -10.421 1.00 0.00 N ATOM 221 CA ALA A 15 13.009 14.476 -11.611 1.00 0.00 C ATOM 222 C ALA A 15 12.363 15.155 -12.812 1.00 0.00 C ATOM 223 O ALA A 15 11.218 15.603 -12.742 1.00 0.00 O ATOM 224 CB ALA A 15 13.275 13.009 -11.912 1.00 0.00 C ATOM 0 H ALA A 15 11.811 13.723 -10.064 1.00 0.00 H new ATOM 0 HA ALA A 15 13.959 14.973 -11.414 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.898 12.927 -12.803 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.789 12.552 -11.067 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.329 12.495 -12.083 1.00 0.00 H new ATOM 230 N SER A 16 13.102 15.227 -13.912 1.00 0.00 N ATOM 231 CA SER A 16 12.654 15.960 -15.091 1.00 0.00 C ATOM 232 C SER A 16 12.083 15.016 -16.142 1.00 0.00 C ATOM 233 O SER A 16 12.353 13.816 -16.124 1.00 0.00 O ATOM 234 CB SER A 16 13.804 16.753 -15.680 1.00 0.00 C ATOM 235 OG SER A 16 14.810 15.902 -16.156 1.00 0.00 O ATOM 0 H SER A 16 14.016 14.786 -14.013 1.00 0.00 H new ATOM 0 HA SER A 16 11.864 16.645 -14.782 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.439 17.380 -16.493 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.216 17.420 -14.923 1.00 0.00 H new ATOM 0 HG SER A 16 15.209 15.416 -15.405 1.00 0.00 H new ATOM 241 N ASP A 17 11.295 15.568 -17.057 1.00 0.00 N ATOM 242 CA ASP A 17 10.693 14.779 -18.126 1.00 0.00 C ATOM 243 C ASP A 17 11.749 13.988 -18.887 1.00 0.00 C ATOM 244 O ASP A 17 11.553 12.814 -19.202 1.00 0.00 O ATOM 245 CB ASP A 17 9.927 15.682 -19.095 1.00 0.00 C ATOM 246 CG ASP A 17 8.643 16.240 -18.496 1.00 0.00 C ATOM 247 OD1 ASP A 17 8.224 15.747 -17.476 1.00 0.00 O ATOM 248 OD2 ASP A 17 8.094 17.153 -19.064 1.00 0.00 O1- ATOM 0 H ASP A 17 11.058 16.560 -17.080 1.00 0.00 H new ATOM 0 HA ASP A 17 9.998 14.076 -17.667 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.570 16.509 -19.398 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.686 15.118 -19.996 1.00 0.00 H new ATOM 253 N GLU A 18 12.871 14.638 -19.182 1.00 0.00 N ATOM 254 CA GLU A 18 13.962 13.994 -19.903 1.00 0.00 C ATOM 255 C GLU A 18 14.530 12.822 -19.114 1.00 0.00 C ATOM 256 O GLU A 18 14.723 11.732 -19.655 1.00 0.00 O ATOM 257 CB GLU A 18 15.072 15.006 -20.203 1.00 0.00 C ATOM 258 CG GLU A 18 16.259 14.430 -20.961 1.00 0.00 C ATOM 259 CD GLU A 18 17.320 15.453 -21.252 1.00 0.00 C ATOM 260 OE1 GLU A 18 17.091 16.610 -20.989 1.00 0.00 O ATOM 261 OE2 GLU A 18 18.361 15.080 -21.739 1.00 0.00 O1- ATOM 0 H GLU A 18 13.048 15.611 -18.932 1.00 0.00 H new ATOM 0 HA GLU A 18 13.561 13.612 -20.842 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.651 15.828 -20.782 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.427 15.427 -19.262 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.695 13.617 -20.380 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.910 13.999 -21.899 1.00 0.00 H new ATOM 268 N GLU A 19 14.796 13.051 -17.833 1.00 0.00 N ATOM 269 CA GLU A 19 15.312 12.004 -16.958 1.00 0.00 C ATOM 270 C GLU A 19 14.333 10.842 -16.854 1.00 0.00 C ATOM 271 O GLU A 19 14.735 9.679 -16.846 1.00 0.00 O ATOM 272 CB GLU A 19 15.601 12.569 -15.565 1.00 0.00 C ATOM 273 CG GLU A 19 16.837 13.454 -15.490 1.00 0.00 C ATOM 274 CD GLU A 19 16.949 14.191 -14.184 1.00 0.00 C ATOM 275 OE1 GLU A 19 15.978 14.777 -13.769 1.00 0.00 O ATOM 276 OE2 GLU A 19 18.007 14.167 -13.601 1.00 0.00 O1- ATOM 0 H GLU A 19 14.663 13.953 -17.377 1.00 0.00 H new ATOM 0 HA GLU A 19 16.240 11.632 -17.393 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.737 13.144 -15.233 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.720 11.740 -14.867 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.727 12.840 -15.633 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.812 14.175 -16.307 1.00 0.00 H new ATOM 283 N ILE A 20 13.047 11.164 -16.772 1.00 0.00 N ATOM 284 CA ILE A 20 12.004 10.146 -16.723 1.00 0.00 C ATOM 285 C ILE A 20 12.030 9.270 -17.970 1.00 0.00 C ATOM 286 O ILE A 20 11.905 8.049 -17.885 1.00 0.00 O ATOM 287 CB ILE A 20 10.613 10.791 -16.578 1.00 0.00 C ATOM 288 CG1 ILE A 20 10.459 11.422 -15.191 1.00 0.00 C ATOM 289 CG2 ILE A 20 9.522 9.761 -16.822 1.00 0.00 C ATOM 290 CD1 ILE A 20 9.269 12.344 -15.069 1.00 0.00 C ATOM 0 H ILE A 20 12.701 12.123 -16.738 1.00 0.00 H new ATOM 0 HA ILE A 20 12.201 9.522 -15.851 1.00 0.00 H new ATOM 0 HB ILE A 20 10.515 11.578 -17.326 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.369 10.628 -14.449 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.365 11.980 -14.953 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.545 10.233 -16.716 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.622 9.357 -17.829 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.615 8.953 -16.096 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.227 12.752 -14.059 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.365 13.159 -15.786 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.355 11.787 -15.274 1.00 0.00 H new ATOM 302 N LYS A 21 12.195 9.902 -19.127 1.00 0.00 N ATOM 303 CA LYS A 21 12.242 9.181 -20.393 1.00 0.00 C ATOM 304 C LYS A 21 13.453 8.258 -20.457 1.00 0.00 C ATOM 305 O LYS A 21 13.335 7.089 -20.824 1.00 0.00 O ATOM 306 CB LYS A 21 12.267 10.162 -21.568 1.00 0.00 C ATOM 307 CG LYS A 21 10.951 10.891 -21.805 1.00 0.00 C ATOM 308 CD LYS A 21 11.070 11.886 -22.950 1.00 0.00 C ATOM 309 CE LYS A 21 9.766 12.636 -23.171 1.00 0.00 C ATOM 310 NZ LYS A 21 9.872 13.626 -24.277 1.00 0.00 N1+ ATOM 0 H LYS A 21 12.298 10.913 -19.214 1.00 0.00 H new ATOM 0 HA LYS A 21 11.343 8.569 -20.461 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.051 10.899 -21.394 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.536 9.619 -22.474 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.167 10.168 -22.029 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.653 11.413 -20.896 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.868 12.596 -22.735 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.348 11.360 -23.863 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.972 11.924 -23.397 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.482 13.149 -22.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.961 14.115 -24.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.612 14.321 -24.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.117 13.135 -25.160 1.00 0.00 H new ATOM 324 N ARG A 22 14.615 8.790 -20.095 1.00 0.00 N ATOM 325 CA ARG A 22 15.842 8.003 -20.066 1.00 0.00 C ATOM 326 C ARG A 22 15.757 6.890 -19.029 1.00 0.00 C ATOM 327 O ARG A 22 15.991 5.721 -19.338 1.00 0.00 O ATOM 328 CB ARG A 22 17.040 8.889 -19.757 1.00 0.00 C ATOM 329 CG ARG A 22 17.381 9.903 -20.838 1.00 0.00 C ATOM 330 CD ARG A 22 18.557 10.728 -20.464 1.00 0.00 C ATOM 331 NE ARG A 22 18.766 11.826 -21.395 1.00 0.00 N ATOM 332 CZ ARG A 22 19.400 11.715 -22.579 1.00 0.00 C ATOM 333 NH1 ARG A 22 19.879 10.553 -22.961 1.00 0.00 N1+ ATOM 334 NH2 ARG A 22 19.540 12.776 -23.356 1.00 0.00 N ATOM 0 H ARG A 22 14.733 9.764 -19.817 1.00 0.00 H new ATOM 0 HA ARG A 22 15.968 7.556 -21.052 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.849 9.422 -18.826 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.909 8.254 -19.588 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.584 9.383 -21.774 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.522 10.551 -21.013 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.417 11.126 -19.459 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.448 10.100 -20.437 1.00 0.00 H new ATOM 0 HE ARG A 22 18.408 12.744 -21.133 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.771 9.735 -22.361 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.359 10.469 -23.857 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.168 13.678 -23.059 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.020 12.692 -24.252 1.00 0.00 H new ATOM 348 N ALA A 23 15.421 7.259 -17.797 1.00 0.00 N ATOM 349 CA ALA A 23 15.245 6.286 -16.727 1.00 0.00 C ATOM 350 C ALA A 23 14.330 5.149 -17.161 1.00 0.00 C ATOM 351 O ALA A 23 14.640 3.975 -16.955 1.00 0.00 O ATOM 352 CB ALA A 23 14.694 6.962 -15.481 1.00 0.00 C ATOM 0 H ALA A 23 15.265 8.227 -17.516 1.00 0.00 H new ATOM 0 HA ALA A 23 16.222 5.862 -16.495 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.568 6.222 -14.691 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.389 7.733 -15.148 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.730 7.416 -15.710 1.00 0.00 H new ATOM 358 N TYR A 24 13.200 5.503 -17.764 1.00 0.00 N ATOM 359 CA TYR A 24 12.212 4.516 -18.184 1.00 0.00 C ATOM 360 C TYR A 24 12.771 3.606 -19.270 1.00 0.00 C ATOM 361 O TYR A 24 12.835 2.389 -19.102 1.00 0.00 O ATOM 362 CB TYR A 24 10.938 5.208 -18.674 1.00 0.00 C ATOM 363 CG TYR A 24 9.895 4.254 -19.212 1.00 0.00 C ATOM 364 CD1 TYR A 24 9.207 3.417 -18.346 1.00 0.00 C ATOM 365 CD2 TYR A 24 9.626 4.217 -20.573 1.00 0.00 C ATOM 366 CE1 TYR A 24 8.254 2.546 -18.839 1.00 0.00 C ATOM 367 CE2 TYR A 24 8.674 3.346 -21.064 1.00 0.00 C ATOM 368 CZ TYR A 24 7.989 2.513 -20.204 1.00 0.00 C ATOM 369 OH TYR A 24 7.040 1.646 -20.694 1.00 0.00 O ATOM 0 H TYR A 24 12.945 6.468 -17.973 1.00 0.00 H new ATOM 0 HA TYR A 24 11.966 3.899 -17.320 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.506 5.778 -17.852 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.201 5.923 -19.454 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.416 3.446 -17.287 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.161 4.869 -21.248 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.717 1.893 -18.167 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.465 3.317 -22.123 1.00 0.00 H new ATOM 0 HH TYR A 24 6.420 2.134 -21.275 1.00 0.00 H new ATOM 379 N ARG A 25 13.173 4.205 -20.387 1.00 0.00 N ATOM 380 CA ARG A 25 13.978 3.507 -21.382 1.00 0.00 C ATOM 381 C ARG A 25 14.791 2.387 -20.746 1.00 0.00 C ATOM 382 O ARG A 25 14.615 1.214 -21.078 1.00 0.00 O ATOM 383 CB ARG A 25 14.918 4.476 -22.085 1.00 0.00 C ATOM 384 CG ARG A 25 15.678 3.889 -23.263 1.00 0.00 C ATOM 385 CD ARG A 25 16.948 4.615 -23.514 1.00 0.00 C ATOM 386 NE ARG A 25 16.723 6.031 -23.762 1.00 0.00 N ATOM 387 CZ ARG A 25 17.657 6.884 -24.226 1.00 0.00 C ATOM 388 NH1 ARG A 25 18.871 6.452 -24.487 1.00 0.00 N1+ ATOM 389 NH2 ARG A 25 17.353 8.157 -24.417 1.00 0.00 N ATOM 0 H ARG A 25 12.954 5.172 -20.625 1.00 0.00 H new ATOM 0 HA ARG A 25 13.294 3.073 -22.111 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.340 5.331 -22.434 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.638 4.853 -21.358 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.892 2.838 -23.071 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.053 3.929 -24.155 1.00 0.00 H new ATOM 0 HD2 ARG A 25 17.609 4.497 -22.656 1.00 0.00 H new ATOM 0 HD3 ARG A 25 17.456 4.172 -24.371 1.00 0.00 H new ATOM 0 HE ARG A 25 15.793 6.404 -23.571 1.00 0.00 H new ATOM 0 HH11 ARG A 25 19.106 5.471 -24.338 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.578 7.098 -24.838 1.00 0.00 H new ATOM 0 HH21 ARG A 25 16.412 8.493 -24.213 1.00 0.00 H new ATOM 0 HH22 ARG A 25 18.060 8.803 -24.768 1.00 0.00 H new ATOM 403 N ARG A 26 15.682 2.755 -19.832 1.00 0.00 N ATOM 404 CA ARG A 26 16.586 1.793 -19.214 1.00 0.00 C ATOM 405 C ARG A 26 15.815 0.655 -18.556 1.00 0.00 C ATOM 406 O ARG A 26 16.188 -0.512 -18.679 1.00 0.00 O ATOM 407 CB ARG A 26 17.463 2.475 -18.174 1.00 0.00 C ATOM 408 CG ARG A 26 18.518 3.410 -18.740 1.00 0.00 C ATOM 409 CD ARG A 26 19.275 4.101 -17.664 1.00 0.00 C ATOM 410 NE ARG A 26 20.308 4.972 -18.202 1.00 0.00 N ATOM 411 CZ ARG A 26 21.050 5.823 -17.466 1.00 0.00 C ATOM 412 NH1 ARG A 26 20.861 5.906 -16.167 1.00 0.00 N1+ ATOM 413 NH2 ARG A 26 21.967 6.576 -18.050 1.00 0.00 N ATOM 0 H ARG A 26 15.797 3.713 -19.503 1.00 0.00 H new ATOM 0 HA ARG A 26 17.214 1.380 -20.003 1.00 0.00 H new ATOM 0 HB2 ARG A 26 16.824 3.040 -17.496 1.00 0.00 H new ATOM 0 HB3 ARG A 26 17.960 1.708 -17.580 1.00 0.00 H new ATOM 0 HG2 ARG A 26 19.209 2.844 -19.365 1.00 0.00 H new ATOM 0 HG3 ARG A 26 18.041 4.150 -19.382 1.00 0.00 H new ATOM 0 HD2 ARG A 26 18.587 4.687 -17.055 1.00 0.00 H new ATOM 0 HD3 ARG A 26 19.731 3.360 -17.007 1.00 0.00 H new ATOM 0 HE ARG A 26 20.483 4.936 -19.206 1.00 0.00 H new ATOM 0 HH11 ARG A 26 20.153 5.326 -15.717 1.00 0.00 H new ATOM 0 HH12 ARG A 26 21.423 6.550 -15.610 1.00 0.00 H new ATOM 0 HH21 ARG A 26 22.113 6.513 -19.058 1.00 0.00 H new ATOM 0 HH22 ARG A 26 22.528 7.220 -17.493 1.00 0.00 H new ATOM 427 N GLN A 27 14.738 1.002 -17.860 1.00 0.00 N ATOM 428 CA GLN A 27 13.984 0.029 -17.080 1.00 0.00 C ATOM 429 C GLN A 27 13.128 -0.854 -17.981 1.00 0.00 C ATOM 430 O GLN A 27 13.070 -2.070 -17.801 1.00 0.00 O ATOM 431 CB GLN A 27 13.100 0.735 -16.049 1.00 0.00 C ATOM 432 CG GLN A 27 13.871 1.401 -14.922 1.00 0.00 C ATOM 433 CD GLN A 27 14.739 0.420 -14.155 1.00 0.00 C ATOM 434 OE1 GLN A 27 15.744 -0.075 -14.672 1.00 0.00 O ATOM 435 NE2 GLN A 27 14.353 0.133 -12.918 1.00 0.00 N ATOM 0 H GLN A 27 14.367 1.951 -17.820 1.00 0.00 H new ATOM 0 HA GLN A 27 14.701 -0.605 -16.558 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.498 1.488 -16.558 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.408 0.009 -15.622 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.498 2.192 -15.333 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.169 1.874 -14.236 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.514 0.567 -12.532 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.895 -0.521 -12.354 1.00 0.00 H new ATOM 444 N ALA A 28 12.465 -0.233 -18.951 1.00 0.00 N ATOM 445 CA ALA A 28 11.695 -0.970 -19.945 1.00 0.00 C ATOM 446 C ALA A 28 12.592 -1.885 -20.769 1.00 0.00 C ATOM 447 O ALA A 28 12.185 -2.976 -21.168 1.00 0.00 O ATOM 448 CB ALA A 28 10.944 -0.008 -20.854 1.00 0.00 C ATOM 0 H ALA A 28 12.446 0.780 -19.069 1.00 0.00 H new ATOM 0 HA ALA A 28 10.973 -1.592 -19.417 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.374 -0.574 -21.591 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.264 0.600 -20.258 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.656 0.640 -21.366 1.00 0.00 H new ATOM 454 N LEU A 29 13.816 -1.434 -21.022 1.00 0.00 N ATOM 455 CA LEU A 29 14.844 -2.289 -21.603 1.00 0.00 C ATOM 456 C LEU A 29 15.210 -3.428 -20.660 1.00 0.00 C ATOM 457 O LEU A 29 15.437 -4.557 -21.092 1.00 0.00 O ATOM 458 CB LEU A 29 16.096 -1.466 -21.931 1.00 0.00 C ATOM 459 CG LEU A 29 15.962 -0.493 -23.110 1.00 0.00 C ATOM 460 CD1 LEU A 29 17.202 0.387 -23.185 1.00 0.00 C ATOM 461 CD2 LEU A 29 15.772 -1.281 -24.398 1.00 0.00 C ATOM 0 H LEU A 29 14.121 -0.479 -20.833 1.00 0.00 H new ATOM 0 HA LEU A 29 14.443 -2.718 -22.521 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.377 -0.897 -21.045 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.915 -2.153 -22.142 1.00 0.00 H new ATOM 0 HG LEU A 29 15.093 0.149 -22.968 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.107 1.078 -24.022 1.00 0.00 H new ATOM 0 HD12 LEU A 29 17.304 0.951 -22.258 1.00 0.00 H new ATOM 0 HD13 LEU A 29 18.084 -0.238 -23.328 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.677 -0.591 -25.236 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.633 -1.930 -24.558 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.870 -1.888 -24.323 1.00 0.00 H new ATOM 473 N ARG A 30 15.267 -3.124 -19.367 1.00 0.00 N ATOM 474 CA ARG A 30 15.626 -4.117 -18.362 1.00 0.00 C ATOM 475 C ARG A 30 14.629 -5.269 -18.346 1.00 0.00 C ATOM 476 O ARG A 30 15.013 -6.431 -18.214 1.00 0.00 O ATOM 477 CB ARG A 30 15.684 -3.482 -16.980 1.00 0.00 C ATOM 478 CG ARG A 30 16.198 -4.395 -15.879 1.00 0.00 C ATOM 479 CD ARG A 30 16.177 -3.722 -14.553 1.00 0.00 C ATOM 480 NE ARG A 30 17.050 -2.559 -14.522 1.00 0.00 N ATOM 481 CZ ARG A 30 18.384 -2.608 -14.343 1.00 0.00 C ATOM 482 NH1 ARG A 30 18.984 -3.767 -14.182 1.00 0.00 N1+ ATOM 483 NH2 ARG A 30 19.090 -1.491 -14.330 1.00 0.00 N ATOM 0 H ARG A 30 15.069 -2.197 -18.991 1.00 0.00 H new ATOM 0 HA ARG A 30 16.610 -4.507 -18.623 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.322 -2.599 -17.028 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.685 -3.139 -16.711 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.587 -5.297 -15.839 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.215 -4.709 -16.112 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.158 -3.417 -14.316 1.00 0.00 H new ATOM 0 HD3 ARG A 30 16.485 -4.428 -13.782 1.00 0.00 H new ATOM 0 HE ARG A 30 16.622 -1.641 -14.644 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.439 -4.629 -14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.994 -3.804 -14.046 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.625 -0.592 -14.455 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.100 -1.528 -14.194 1.00 0.00 H new ATOM 497 N TYR A 31 13.350 -4.939 -18.482 1.00 0.00 N ATOM 498 CA TYR A 31 12.289 -5.937 -18.402 1.00 0.00 C ATOM 499 C TYR A 31 11.723 -6.252 -19.781 1.00 0.00 C ATOM 500 O TYR A 31 10.716 -6.948 -19.906 1.00 0.00 O ATOM 501 CB TYR A 31 11.175 -5.461 -17.467 1.00 0.00 C ATOM 502 CG TYR A 31 11.600 -5.346 -16.020 1.00 0.00 C ATOM 503 CD1 TYR A 31 11.999 -4.119 -15.510 1.00 0.00 C ATOM 504 CD2 TYR A 31 11.591 -6.467 -15.203 1.00 0.00 C ATOM 505 CE1 TYR A 31 12.386 -4.014 -14.189 1.00 0.00 C ATOM 506 CE2 TYR A 31 11.980 -6.361 -13.882 1.00 0.00 C ATOM 507 CZ TYR A 31 12.375 -5.140 -13.374 1.00 0.00 C ATOM 508 OH TYR A 31 12.763 -5.035 -12.059 1.00 0.00 O ATOM 0 H TYR A 31 13.022 -3.988 -18.648 1.00 0.00 H new ATOM 0 HA TYR A 31 12.721 -6.852 -17.997 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.817 -4.490 -17.809 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.336 -6.153 -17.536 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.007 -3.246 -16.146 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.280 -7.422 -15.600 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.696 -3.060 -13.790 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.975 -7.234 -13.246 1.00 0.00 H new ATOM 0 HH TYR A 31 12.697 -5.912 -11.627 1.00 0.00 H new ATOM 518 N HIS A 32 12.377 -5.733 -20.816 1.00 0.00 N ATOM 519 CA HIS A 32 12.089 -6.139 -22.186 1.00 0.00 C ATOM 520 C HIS A 32 12.116 -7.655 -22.328 1.00 0.00 C ATOM 521 O HIS A 32 12.970 -8.328 -21.749 1.00 0.00 O ATOM 522 CB HIS A 32 13.093 -5.512 -23.159 1.00 0.00 C ATOM 523 CG HIS A 32 12.696 -5.639 -24.597 1.00 0.00 C ATOM 524 ND1 HIS A 32 12.878 -6.801 -25.318 1.00 0.00 N ATOM 525 CD2 HIS A 32 12.129 -4.753 -25.448 1.00 0.00 C ATOM 526 CE1 HIS A 32 12.438 -6.622 -26.552 1.00 0.00 C ATOM 527 NE2 HIS A 32 11.979 -5.388 -26.656 1.00 0.00 N ATOM 0 H HIS A 32 13.111 -5.030 -20.731 1.00 0.00 H new ATOM 0 HA HIS A 32 11.087 -5.785 -22.430 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.211 -4.456 -22.916 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.066 -5.982 -23.017 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.847 -3.736 -25.220 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.452 -7.360 -27.341 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.578 -4.974 -27.497 1.00 0.00 H new ATOM 535 N PRO A 33 11.177 -8.189 -23.102 1.00 0.00 N ATOM 536 CA PRO A 33 11.034 -9.632 -23.249 1.00 0.00 C ATOM 537 C PRO A 33 12.357 -10.281 -23.632 1.00 0.00 C ATOM 538 O PRO A 33 12.671 -11.384 -23.187 1.00 0.00 O ATOM 539 CB PRO A 33 9.995 -9.764 -24.367 1.00 0.00 C ATOM 540 CG PRO A 33 9.107 -8.581 -24.182 1.00 0.00 C ATOM 541 CD PRO A 33 10.043 -7.469 -23.791 1.00 0.00 C ATOM 0 HA PRO A 33 10.732 -10.131 -22.328 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.465 -9.759 -25.350 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.438 -10.697 -24.285 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.567 -8.342 -25.098 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.360 -8.762 -23.409 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.391 -6.912 -24.661 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.560 -6.753 -23.127 1.00 0.00 H new ATOM 549 N ASP A 34 13.131 -9.589 -24.462 1.00 0.00 N ATOM 550 CA ASP A 34 14.386 -10.130 -24.971 1.00 0.00 C ATOM 551 C ASP A 34 15.540 -9.830 -24.022 1.00 0.00 C ATOM 552 O ASP A 34 16.701 -10.084 -24.342 1.00 0.00 O ATOM 553 CB ASP A 34 14.694 -9.556 -26.356 1.00 0.00 C ATOM 554 CG ASP A 34 13.710 -10.019 -27.421 1.00 0.00 C ATOM 555 OD1 ASP A 34 13.109 -11.051 -27.239 1.00 0.00 O ATOM 556 OD2 ASP A 34 13.570 -9.336 -28.408 1.00 0.00 O1- ATOM 0 H ASP A 34 12.911 -8.651 -24.797 1.00 0.00 H new ATOM 0 HA ASP A 34 14.274 -11.211 -25.048 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.680 -8.467 -26.304 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.703 -9.848 -26.649 1.00 0.00 H new ATOM 561 N LYS A 35 15.213 -9.290 -22.853 1.00 0.00 N ATOM 562 CA LYS A 35 16.227 -8.867 -21.895 1.00 0.00 C ATOM 563 C LYS A 35 16.018 -9.535 -20.542 1.00 0.00 C ATOM 564 O LYS A 35 16.979 -9.836 -19.832 1.00 0.00 O ATOM 565 CB LYS A 35 16.213 -7.346 -21.737 1.00 0.00 C ATOM 566 CG LYS A 35 16.589 -6.579 -22.999 1.00 0.00 C ATOM 567 CD LYS A 35 18.022 -6.873 -23.418 1.00 0.00 C ATOM 568 CE LYS A 35 18.428 -6.039 -24.624 1.00 0.00 C ATOM 569 NZ LYS A 35 19.820 -6.333 -25.061 1.00 0.00 N1+ ATOM 0 H LYS A 35 14.253 -9.135 -22.546 1.00 0.00 H new ATOM 0 HA LYS A 35 17.199 -9.174 -22.281 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.218 -7.035 -21.420 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.902 -7.069 -20.939 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.909 -6.848 -23.807 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.471 -5.509 -22.826 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.696 -6.666 -22.587 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.124 -7.932 -23.655 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.741 -6.233 -25.447 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.341 -4.980 -24.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.057 -5.744 -25.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.479 -6.123 -24.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.898 -7.337 -25.320 1.00 0.00 H new ATOM 583 N ASN A 36 14.758 -9.765 -20.189 1.00 0.00 N ATOM 584 CA ASN A 36 14.421 -10.401 -18.920 1.00 0.00 C ATOM 585 C ASN A 36 13.170 -11.260 -19.049 1.00 0.00 C ATOM 586 O ASN A 36 12.126 -10.789 -19.499 1.00 0.00 O ATOM 587 CB ASN A 36 14.243 -9.357 -17.832 1.00 0.00 C ATOM 588 CG ASN A 36 13.945 -9.967 -16.491 1.00 0.00 C ATOM 589 OD1 ASN A 36 12.803 -10.341 -16.204 1.00 0.00 O ATOM 590 ND2 ASN A 36 14.953 -10.074 -15.662 1.00 0.00 N ATOM 0 H ASN A 36 13.952 -9.520 -20.764 1.00 0.00 H new ATOM 0 HA ASN A 36 15.248 -11.055 -18.642 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.148 -8.754 -17.760 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.432 -8.683 -18.109 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.812 -10.480 -14.737 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.880 -9.752 -15.941 1.00 0.00 H new ATOM 597 N LYS A 37 13.283 -12.523 -18.653 1.00 0.00 N ATOM 598 CA LYS A 37 12.138 -13.425 -18.631 1.00 0.00 C ATOM 599 C LYS A 37 12.008 -14.119 -17.281 1.00 0.00 C ATOM 600 O LYS A 37 12.494 -15.235 -17.097 1.00 0.00 O ATOM 601 CB LYS A 37 12.252 -14.464 -19.747 1.00 0.00 C ATOM 602 CG LYS A 37 12.196 -13.884 -21.155 1.00 0.00 C ATOM 603 CD LYS A 37 12.247 -14.981 -22.207 1.00 0.00 C ATOM 604 CE LYS A 37 12.208 -14.402 -23.614 1.00 0.00 C ATOM 605 NZ LYS A 37 12.231 -15.466 -24.654 1.00 0.00 N1+ ATOM 0 H LYS A 37 14.158 -12.946 -18.342 1.00 0.00 H new ATOM 0 HA LYS A 37 11.241 -12.827 -18.794 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.190 -15.006 -19.628 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.447 -15.190 -19.634 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.281 -13.304 -21.276 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.030 -13.198 -21.301 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.156 -15.569 -22.079 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.406 -15.660 -22.068 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.309 -13.798 -23.733 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.060 -13.737 -23.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.203 -15.030 -25.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.101 -16.027 -24.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.405 -16.086 -24.535 1.00 0.00 H new ATOM 619 N GLU A 38 11.350 -13.451 -16.339 1.00 0.00 N ATOM 620 CA GLU A 38 11.229 -13.966 -14.980 1.00 0.00 C ATOM 621 C GLU A 38 9.829 -13.729 -14.426 1.00 0.00 C ATOM 622 O GLU A 38 9.229 -12.679 -14.655 1.00 0.00 O ATOM 623 CB GLU A 38 12.266 -13.310 -14.067 1.00 0.00 C ATOM 624 CG GLU A 38 13.708 -13.673 -14.392 1.00 0.00 C ATOM 625 CD GLU A 38 14.696 -13.058 -13.439 1.00 0.00 C ATOM 626 OE1 GLU A 38 14.830 -11.858 -13.446 1.00 0.00 O ATOM 627 OE2 GLU A 38 15.316 -13.790 -12.705 1.00 0.00 O1- ATOM 0 H GLU A 38 10.893 -12.552 -16.492 1.00 0.00 H new ATOM 0 HA GLU A 38 11.410 -15.040 -15.013 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.154 -12.228 -14.129 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.056 -13.594 -13.036 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.818 -14.757 -14.371 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.939 -13.348 -15.407 1.00 0.00 H new ATOM 634 N PRO A 39 9.314 -14.712 -13.695 1.00 0.00 N ATOM 635 CA PRO A 39 7.990 -14.607 -13.093 1.00 0.00 C ATOM 636 C PRO A 39 7.995 -13.640 -11.916 1.00 0.00 C ATOM 637 O PRO A 39 8.806 -13.768 -10.999 1.00 0.00 O ATOM 638 CB PRO A 39 7.701 -16.043 -12.645 1.00 0.00 C ATOM 639 CG PRO A 39 9.047 -16.620 -12.374 1.00 0.00 C ATOM 640 CD PRO A 39 9.931 -16.024 -13.438 1.00 0.00 C ATOM 0 HA PRO A 39 7.235 -14.215 -13.775 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.073 -16.063 -11.755 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.176 -16.603 -13.419 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.397 -16.360 -11.375 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.032 -17.708 -12.433 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.961 -15.924 -13.096 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.952 -16.642 -14.336 1.00 0.00 H new ATOM 648 N GLY A 40 7.085 -12.673 -11.947 1.00 0.00 N ATOM 649 CA GLY A 40 7.023 -11.646 -10.915 1.00 0.00 C ATOM 650 C GLY A 40 7.759 -10.384 -11.349 1.00 0.00 C ATOM 651 O GLY A 40 7.302 -9.269 -11.096 1.00 0.00 O ATOM 0 H GLY A 40 6.379 -12.579 -12.677 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.982 -11.407 -10.698 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.461 -12.027 -9.992 1.00 0.00 H new ATOM 655 N ALA A 41 8.901 -10.567 -12.003 1.00 0.00 N ATOM 656 CA ALA A 41 9.571 -9.473 -12.696 1.00 0.00 C ATOM 657 C ALA A 41 8.698 -8.907 -13.808 1.00 0.00 C ATOM 658 O ALA A 41 8.668 -7.698 -14.032 1.00 0.00 O ATOM 659 CB ALA A 41 10.906 -9.941 -13.258 1.00 0.00 C ATOM 0 H ALA A 41 9.382 -11.464 -12.068 1.00 0.00 H new ATOM 0 HA ALA A 41 9.752 -8.678 -11.973 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.394 -9.113 -13.772 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.542 -10.288 -12.444 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.739 -10.757 -13.961 1.00 0.00 H new ATOM 665 N GLU A 42 7.986 -9.790 -14.501 1.00 0.00 N ATOM 666 CA GLU A 42 6.953 -9.372 -15.441 1.00 0.00 C ATOM 667 C GLU A 42 5.935 -8.457 -14.771 1.00 0.00 C ATOM 668 O GLU A 42 5.440 -7.510 -15.382 1.00 0.00 O ATOM 669 CB GLU A 42 6.244 -10.592 -16.032 1.00 0.00 C ATOM 670 CG GLU A 42 7.093 -11.405 -16.999 1.00 0.00 C ATOM 671 CD GLU A 42 6.399 -12.647 -17.486 1.00 0.00 C ATOM 672 OE1 GLU A 42 5.349 -12.957 -16.975 1.00 0.00 O ATOM 673 OE2 GLU A 42 6.918 -13.287 -18.369 1.00 0.00 O1- ATOM 0 H GLU A 42 8.106 -10.800 -14.429 1.00 0.00 H new ATOM 0 HA GLU A 42 7.439 -8.816 -16.243 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.922 -11.240 -15.217 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.344 -10.259 -16.549 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.356 -10.783 -17.855 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.026 -11.685 -16.509 1.00 0.00 H new ATOM 680 N GLU A 43 5.628 -8.745 -13.511 1.00 0.00 N ATOM 681 CA GLU A 43 4.708 -7.920 -12.739 1.00 0.00 C ATOM 682 C GLU A 43 5.384 -6.643 -12.257 1.00 0.00 C ATOM 683 O GLU A 43 4.768 -5.577 -12.221 1.00 0.00 O ATOM 684 CB GLU A 43 4.163 -8.704 -11.542 1.00 0.00 C ATOM 685 CG GLU A 43 3.333 -9.924 -11.915 1.00 0.00 C ATOM 686 CD GLU A 43 2.100 -9.574 -12.700 1.00 0.00 C ATOM 687 OE1 GLU A 43 1.379 -8.700 -12.281 1.00 0.00 O ATOM 688 OE2 GLU A 43 1.878 -10.181 -13.721 1.00 0.00 O1- ATOM 0 H GLU A 43 6.004 -9.545 -13.002 1.00 0.00 H new ATOM 0 HA GLU A 43 3.881 -7.644 -13.393 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.000 -9.025 -10.922 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.553 -8.037 -10.933 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.947 -10.610 -12.499 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.042 -10.451 -11.006 1.00 0.00 H new ATOM 695 N LYS A 44 6.655 -6.757 -11.884 1.00 0.00 N ATOM 696 CA LYS A 44 7.474 -5.588 -11.587 1.00 0.00 C ATOM 697 C LYS A 44 7.515 -4.629 -12.770 1.00 0.00 C ATOM 698 O LYS A 44 7.468 -3.411 -12.597 1.00 0.00 O ATOM 699 CB LYS A 44 8.893 -6.012 -11.205 1.00 0.00 C ATOM 700 CG LYS A 44 9.003 -6.684 -9.843 1.00 0.00 C ATOM 701 CD LYS A 44 10.437 -7.092 -9.543 1.00 0.00 C ATOM 702 CE LYS A 44 10.546 -7.784 -8.191 1.00 0.00 C ATOM 703 NZ LYS A 44 11.941 -8.204 -7.891 1.00 0.00 N1+ ATOM 0 H LYS A 44 7.140 -7.648 -11.780 1.00 0.00 H new ATOM 0 HA LYS A 44 7.020 -5.069 -10.743 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.272 -6.695 -11.965 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.537 -5.133 -11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.647 -6.004 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.359 -7.563 -9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.798 -7.759 -10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.078 -6.210 -9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.194 -7.110 -7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.894 -8.657 -8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.971 -8.671 -6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.269 -8.867 -8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.560 -7.368 -7.879 1.00 0.00 H new ATOM 717 N PHE A 45 7.602 -5.185 -13.974 1.00 0.00 N ATOM 718 CA PHE A 45 7.534 -4.388 -15.194 1.00 0.00 C ATOM 719 C PHE A 45 6.180 -3.702 -15.328 1.00 0.00 C ATOM 720 O PHE A 45 6.096 -2.560 -15.780 1.00 0.00 O ATOM 721 CB PHE A 45 7.792 -5.265 -16.420 1.00 0.00 C ATOM 722 CG PHE A 45 7.921 -4.492 -17.701 1.00 0.00 C ATOM 723 CD1 PHE A 45 8.228 -3.139 -17.684 1.00 0.00 C ATOM 724 CD2 PHE A 45 7.736 -5.114 -18.926 1.00 0.00 C ATOM 725 CE1 PHE A 45 8.347 -2.426 -18.862 1.00 0.00 C ATOM 726 CE2 PHE A 45 7.857 -4.405 -20.106 1.00 0.00 C ATOM 727 CZ PHE A 45 8.162 -3.059 -20.072 1.00 0.00 C ATOM 0 H PHE A 45 7.720 -6.186 -14.131 1.00 0.00 H new ATOM 0 HA PHE A 45 8.306 -3.621 -15.133 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.705 -5.839 -16.259 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.978 -5.983 -16.520 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.376 -2.637 -16.739 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.494 -6.166 -18.959 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.585 -1.373 -18.834 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.713 -4.903 -21.053 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.256 -2.503 -20.993 1.00 0.00 H new ATOM 737 N LYS A 46 5.125 -4.405 -14.935 1.00 0.00 N ATOM 738 CA LYS A 46 3.790 -3.820 -14.882 1.00 0.00 C ATOM 739 C LYS A 46 3.715 -2.714 -13.838 1.00 0.00 C ATOM 740 O LYS A 46 3.087 -1.678 -14.062 1.00 0.00 O ATOM 741 CB LYS A 46 2.744 -4.896 -14.586 1.00 0.00 C ATOM 742 CG LYS A 46 2.513 -5.880 -15.725 1.00 0.00 C ATOM 743 CD LYS A 46 1.518 -6.960 -15.329 1.00 0.00 C ATOM 744 CE LYS A 46 1.370 -8.005 -16.425 1.00 0.00 C ATOM 745 NZ LYS A 46 0.483 -9.126 -16.008 1.00 0.00 N1+ ATOM 0 H LYS A 46 5.168 -5.383 -14.648 1.00 0.00 H new ATOM 0 HA LYS A 46 3.579 -3.382 -15.858 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.052 -5.451 -13.700 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.799 -4.410 -14.345 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.144 -5.346 -16.601 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.459 -6.341 -16.008 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.847 -7.440 -14.408 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.549 -6.506 -15.123 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.965 -7.536 -17.322 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.352 -8.398 -16.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.395 -9.808 -16.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.891 -9.601 -15.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.457 -8.753 -15.766 1.00 0.00 H new ATOM 759 N GLU A 47 4.356 -2.939 -12.697 1.00 0.00 N ATOM 760 CA GLU A 47 4.481 -1.911 -11.671 1.00 0.00 C ATOM 761 C GLU A 47 5.231 -0.694 -12.200 1.00 0.00 C ATOM 762 O GLU A 47 4.975 0.435 -11.783 1.00 0.00 O ATOM 763 CB GLU A 47 5.197 -2.469 -10.439 1.00 0.00 C ATOM 764 CG GLU A 47 4.390 -3.493 -9.654 1.00 0.00 C ATOM 765 CD GLU A 47 5.163 -4.097 -8.515 1.00 0.00 C ATOM 766 OE1 GLU A 47 6.369 -4.100 -8.576 1.00 0.00 O ATOM 767 OE2 GLU A 47 4.546 -4.558 -7.584 1.00 0.00 O1- ATOM 0 H GLU A 47 4.798 -3.827 -12.459 1.00 0.00 H new ATOM 0 HA GLU A 47 3.476 -1.599 -11.388 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.134 -2.927 -10.755 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.454 -1.642 -9.777 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.490 -3.018 -9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.065 -4.286 -10.327 1.00 0.00 H new ATOM 774 N ILE A 48 6.161 -0.933 -13.120 1.00 0.00 N ATOM 775 CA ILE A 48 6.850 0.150 -13.811 1.00 0.00 C ATOM 776 C ILE A 48 5.969 0.761 -14.894 1.00 0.00 C ATOM 777 O ILE A 48 5.964 1.975 -15.093 1.00 0.00 O ATOM 778 CB ILE A 48 8.165 -0.347 -14.438 1.00 0.00 C ATOM 779 CG1 ILE A 48 9.192 -0.657 -13.346 1.00 0.00 C ATOM 780 CG2 ILE A 48 8.713 0.684 -15.412 1.00 0.00 C ATOM 781 CD1 ILE A 48 10.448 -1.322 -13.860 1.00 0.00 C ATOM 0 H ILE A 48 6.454 -1.868 -13.404 1.00 0.00 H new ATOM 0 HA ILE A 48 7.076 0.916 -13.069 1.00 0.00 H new ATOM 0 HB ILE A 48 7.962 -1.265 -14.990 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.464 0.271 -12.842 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.730 -1.302 -12.599 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.643 0.316 -15.846 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.986 0.858 -16.205 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.904 1.618 -14.884 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.127 -1.510 -13.028 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.190 -2.267 -14.338 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.935 -0.670 -14.585 1.00 0.00 H new ATOM 793 N ALA A 49 5.224 -0.090 -15.593 1.00 0.00 N ATOM 794 CA ALA A 49 4.168 0.372 -16.485 1.00 0.00 C ATOM 795 C ALA A 49 3.247 1.362 -15.783 1.00 0.00 C ATOM 796 O ALA A 49 2.843 2.368 -16.365 1.00 0.00 O ATOM 797 CB ALA A 49 3.369 -0.810 -17.016 1.00 0.00 C ATOM 0 H ALA A 49 5.333 -1.104 -15.558 1.00 0.00 H new ATOM 0 HA ALA A 49 4.637 0.886 -17.324 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.584 -0.449 -17.681 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.031 -1.479 -17.566 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.919 -1.349 -16.182 1.00 0.00 H new ATOM 803 N GLU A 50 2.918 1.068 -14.529 1.00 0.00 N ATOM 804 CA GLU A 50 2.179 2.006 -13.693 1.00 0.00 C ATOM 805 C GLU A 50 3.042 3.203 -13.313 1.00 0.00 C ATOM 806 O GLU A 50 2.570 4.339 -13.296 1.00 0.00 O ATOM 807 CB GLU A 50 1.672 1.308 -12.429 1.00 0.00 C ATOM 808 CG GLU A 50 0.366 0.548 -12.611 1.00 0.00 C ATOM 809 CD GLU A 50 -0.826 1.454 -12.736 1.00 0.00 C ATOM 810 OE1 GLU A 50 -1.153 2.110 -11.774 1.00 0.00 O ATOM 811 OE2 GLU A 50 -1.412 1.491 -13.792 1.00 0.00 O1- ATOM 0 H GLU A 50 3.152 0.188 -14.070 1.00 0.00 H new ATOM 0 HA GLU A 50 1.327 2.367 -14.269 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.437 0.614 -12.081 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.538 2.054 -11.646 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.436 -0.076 -13.502 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.220 -0.121 -11.763 1.00 0.00 H new ATOM 818 N ALA A 51 4.307 2.939 -13.007 1.00 0.00 N ATOM 819 CA ALA A 51 5.243 3.996 -12.639 1.00 0.00 C ATOM 820 C ALA A 51 5.356 5.039 -13.743 1.00 0.00 C ATOM 821 O ALA A 51 5.568 6.222 -13.473 1.00 0.00 O ATOM 822 CB ALA A 51 6.610 3.408 -12.323 1.00 0.00 C ATOM 0 H ALA A 51 4.709 2.001 -13.006 1.00 0.00 H new ATOM 0 HA ALA A 51 4.859 4.490 -11.747 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.297 4.209 -12.050 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.522 2.708 -11.492 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.993 2.885 -13.199 1.00 0.00 H new ATOM 828 N TYR A 52 5.216 4.594 -14.987 1.00 0.00 N ATOM 829 CA TYR A 52 5.403 5.469 -16.138 1.00 0.00 C ATOM 830 C TYR A 52 4.071 6.002 -16.647 1.00 0.00 C ATOM 831 O TYR A 52 3.934 7.194 -16.925 1.00 0.00 O ATOM 832 CB TYR A 52 6.140 4.729 -17.258 1.00 0.00 C ATOM 833 CG TYR A 52 6.567 5.622 -18.402 1.00 0.00 C ATOM 834 CD1 TYR A 52 7.493 6.632 -18.185 1.00 0.00 C ATOM 835 CD2 TYR A 52 6.033 5.430 -19.667 1.00 0.00 C ATOM 836 CE1 TYR A 52 7.883 7.447 -19.230 1.00 0.00 C ATOM 837 CE2 TYR A 52 6.423 6.246 -20.712 1.00 0.00 C ATOM 838 CZ TYR A 52 7.344 7.251 -20.496 1.00 0.00 C ATOM 839 OH TYR A 52 7.733 8.063 -21.536 1.00 0.00 O ATOM 0 H TYR A 52 4.974 3.632 -15.224 1.00 0.00 H new ATOM 0 HA TYR A 52 6.007 6.318 -15.818 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.022 4.243 -16.841 1.00 0.00 H new ATOM 0 HB3 TYR A 52 5.495 3.941 -17.646 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.909 6.781 -17.199 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.313 4.643 -19.836 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.604 8.234 -19.064 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.007 6.097 -21.698 1.00 0.00 H new ATOM 0 HH TYR A 52 7.669 7.568 -22.379 1.00 0.00 H new ATOM 849 N ASP A 53 3.089 5.114 -16.767 1.00 0.00 N ATOM 850 CA ASP A 53 1.697 5.524 -16.904 1.00 0.00 C ATOM 851 C ASP A 53 1.409 6.777 -16.086 1.00 0.00 C ATOM 852 O ASP A 53 0.757 7.705 -16.563 1.00 0.00 O ATOM 853 CB ASP A 53 0.760 4.396 -16.467 1.00 0.00 C ATOM 854 CG ASP A 53 -0.701 4.683 -16.784 1.00 0.00 C ATOM 855 OD1 ASP A 53 -0.998 4.974 -17.918 1.00 0.00 O ATOM 856 OD2 ASP A 53 -1.508 4.610 -15.887 1.00 0.00 O1- ATOM 0 H ASP A 53 3.233 4.104 -16.772 1.00 0.00 H new ATOM 0 HA ASP A 53 1.521 5.749 -17.956 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.059 3.471 -16.960 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.869 4.235 -15.394 1.00 0.00 H new ATOM 861 N VAL A 54 1.899 6.797 -14.851 1.00 0.00 N ATOM 862 CA VAL A 54 1.879 8.007 -14.038 1.00 0.00 C ATOM 863 C VAL A 54 2.762 9.091 -14.641 1.00 0.00 C ATOM 864 O VAL A 54 2.279 10.154 -15.030 1.00 0.00 O ATOM 865 CB VAL A 54 2.355 7.697 -12.607 1.00 0.00 C ATOM 866 CG1 VAL A 54 2.646 8.986 -11.852 1.00 0.00 C ATOM 867 CG2 VAL A 54 1.306 6.871 -11.879 1.00 0.00 C ATOM 0 H VAL A 54 2.315 5.988 -14.391 1.00 0.00 H new ATOM 0 HA VAL A 54 0.852 8.370 -14.010 1.00 0.00 H new ATOM 0 HB VAL A 54 3.278 7.120 -12.659 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.981 8.749 -10.842 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.425 9.544 -12.371 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.740 9.590 -11.801 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.650 6.656 -10.867 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.371 7.429 -11.833 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.144 5.935 -12.414 1.00 0.00 H new ATOM 877 N LEU A 55 4.060 8.816 -14.717 1.00 0.00 N ATOM 878 CA LEU A 55 5.045 9.844 -15.026 1.00 0.00 C ATOM 879 C LEU A 55 4.970 10.258 -16.490 1.00 0.00 C ATOM 880 O LEU A 55 5.630 11.206 -16.913 1.00 0.00 O ATOM 881 CB LEU A 55 6.458 9.340 -14.702 1.00 0.00 C ATOM 882 CG LEU A 55 6.995 9.711 -13.315 1.00 0.00 C ATOM 883 CD1 LEU A 55 6.537 11.118 -12.951 1.00 0.00 C ATOM 884 CD2 LEU A 55 6.506 8.696 -12.293 1.00 0.00 C ATOM 0 H LEU A 55 4.454 7.887 -14.568 1.00 0.00 H new ATOM 0 HA LEU A 55 4.822 10.716 -14.411 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.467 8.254 -14.796 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.144 9.731 -15.453 1.00 0.00 H new ATOM 0 HG LEU A 55 8.085 9.695 -13.322 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.919 11.381 -11.965 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.916 11.826 -13.688 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.448 11.155 -12.940 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.888 8.960 -11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.416 8.697 -12.272 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.863 7.703 -12.567 1.00 0.00 H new ATOM 896 N SER A 56 4.161 9.538 -17.262 1.00 0.00 N ATOM 897 CA SER A 56 3.950 9.865 -18.666 1.00 0.00 C ATOM 898 C SER A 56 2.641 10.618 -18.866 1.00 0.00 C ATOM 899 O SER A 56 2.421 11.234 -19.909 1.00 0.00 O ATOM 900 CB SER A 56 3.950 8.600 -19.503 1.00 0.00 C ATOM 901 OG SER A 56 2.844 7.798 -19.197 1.00 0.00 O ATOM 0 H SER A 56 3.641 8.723 -16.937 1.00 0.00 H new ATOM 0 HA SER A 56 4.768 10.510 -18.987 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.934 8.860 -20.562 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.869 8.042 -19.325 1.00 0.00 H new ATOM 0 HG SER A 56 2.849 7.586 -18.240 1.00 0.00 H new ATOM 907 N ASP A 57 1.774 10.565 -17.861 1.00 0.00 N ATOM 908 CA ASP A 57 0.418 11.085 -17.990 1.00 0.00 C ATOM 909 C ASP A 57 0.035 11.929 -16.781 1.00 0.00 C ATOM 910 O ASP A 57 -0.041 11.426 -15.660 1.00 0.00 O ATOM 911 CB ASP A 57 -0.582 9.940 -18.158 1.00 0.00 C ATOM 912 CG ASP A 57 -1.980 10.422 -18.522 1.00 0.00 C ATOM 913 OD1 ASP A 57 -2.293 11.552 -18.226 1.00 0.00 O ATOM 914 OD2 ASP A 57 -2.721 9.658 -19.091 1.00 0.00 O1- ATOM 0 H ASP A 57 1.987 10.166 -16.946 1.00 0.00 H new ATOM 0 HA ASP A 57 0.390 11.718 -18.877 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.224 9.262 -18.933 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.630 9.368 -17.232 1.00 0.00 H new ATOM 919 N PRO A 58 -0.206 13.214 -17.015 1.00 0.00 N ATOM 920 CA PRO A 58 -0.448 14.159 -15.931 1.00 0.00 C ATOM 921 C PRO A 58 -1.661 13.749 -15.106 1.00 0.00 C ATOM 922 O PRO A 58 -1.870 14.250 -14.000 1.00 0.00 O ATOM 923 CB PRO A 58 -0.688 15.478 -16.671 1.00 0.00 C ATOM 924 CG PRO A 58 0.103 15.343 -17.927 1.00 0.00 C ATOM 925 CD PRO A 58 -0.064 13.899 -18.320 1.00 0.00 C ATOM 0 HA PRO A 58 0.373 14.217 -15.217 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.747 15.629 -16.882 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.355 16.332 -16.081 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.267 16.012 -18.704 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.152 15.592 -17.765 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.940 13.751 -18.951 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.797 13.530 -18.878 1.00 0.00 H new ATOM 933 N ARG A 59 -2.460 12.836 -15.649 1.00 0.00 N ATOM 934 CA ARG A 59 -3.751 12.501 -15.062 1.00 0.00 C ATOM 935 C ARG A 59 -3.586 11.616 -13.833 1.00 0.00 C ATOM 936 O ARG A 59 -4.407 11.647 -12.917 1.00 0.00 O ATOM 937 CB ARG A 59 -4.634 11.792 -16.078 1.00 0.00 C ATOM 938 CG ARG A 59 -5.162 12.679 -17.195 1.00 0.00 C ATOM 939 CD ARG A 59 -6.083 11.938 -18.094 1.00 0.00 C ATOM 940 NE ARG A 59 -5.389 10.914 -18.858 1.00 0.00 N ATOM 941 CZ ARG A 59 -5.995 10.006 -19.648 1.00 0.00 C ATOM 942 NH1 ARG A 59 -7.304 10.006 -19.765 1.00 0.00 N1+ ATOM 943 NH2 ARG A 59 -5.273 9.114 -20.304 1.00 0.00 N ATOM 0 H ARG A 59 -2.235 12.314 -16.496 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.224 13.435 -14.760 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.068 10.973 -16.521 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.481 11.348 -15.555 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.683 13.535 -16.765 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.326 13.072 -17.774 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.874 11.476 -17.503 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.564 12.638 -18.778 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.372 10.881 -18.791 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.861 10.693 -19.258 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.763 9.319 -20.363 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.257 9.113 -20.212 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.732 8.427 -20.902 1.00 0.00 H new ATOM 957 N LYS A 60 -2.516 10.826 -13.819 1.00 0.00 N ATOM 958 CA LYS A 60 -2.153 10.049 -12.641 1.00 0.00 C ATOM 959 C LYS A 60 -0.858 10.559 -12.022 1.00 0.00 C ATOM 960 O LYS A 60 -0.449 10.108 -10.953 1.00 0.00 O ATOM 961 CB LYS A 60 -2.019 8.568 -12.996 1.00 0.00 C ATOM 962 CG LYS A 60 -3.303 7.922 -13.499 1.00 0.00 C ATOM 963 CD LYS A 60 -3.074 6.472 -13.897 1.00 0.00 C ATOM 964 CE LYS A 60 -4.314 5.871 -14.541 1.00 0.00 C ATOM 965 NZ LYS A 60 -4.082 4.475 -15.003 1.00 0.00 N1+ ATOM 0 H LYS A 60 -1.885 10.708 -14.612 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.950 10.166 -11.907 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.249 8.458 -13.759 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.675 8.026 -12.115 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.066 7.972 -12.722 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.682 8.480 -14.355 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.236 6.412 -14.591 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.801 5.890 -13.017 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.136 5.884 -13.826 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.618 6.487 -15.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.797 4.222 -15.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.134 4.402 -15.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.153 3.825 -14.194 1.00 0.00 H new ATOM 979 N ARG A 61 -0.216 11.503 -12.702 1.00 0.00 N ATOM 980 CA ARG A 61 0.955 12.179 -12.155 1.00 0.00 C ATOM 981 C ARG A 61 0.619 12.899 -10.856 1.00 0.00 C ATOM 982 O ARG A 61 1.244 12.659 -9.823 1.00 0.00 O ATOM 983 CB ARG A 61 1.512 13.180 -13.157 1.00 0.00 C ATOM 984 CG ARG A 61 2.803 13.861 -12.731 1.00 0.00 C ATOM 985 CD ARG A 61 3.305 14.789 -13.775 1.00 0.00 C ATOM 986 NE ARG A 61 3.841 14.075 -14.923 1.00 0.00 N ATOM 987 CZ ARG A 61 3.939 14.588 -16.165 1.00 0.00 C ATOM 988 NH1 ARG A 61 3.536 15.816 -16.404 1.00 0.00 N1+ ATOM 989 NH2 ARG A 61 4.442 13.856 -17.144 1.00 0.00 N ATOM 0 H ARG A 61 -0.487 11.818 -13.634 1.00 0.00 H new ATOM 0 HA ARG A 61 1.706 11.417 -11.949 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.684 12.667 -14.103 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.758 13.945 -13.341 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.636 14.411 -11.805 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.560 13.106 -12.521 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.495 15.442 -14.100 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.080 15.428 -13.351 1.00 0.00 H new ATOM 0 HE ARG A 61 4.165 13.119 -14.778 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.149 16.382 -15.649 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.611 16.203 -17.345 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.756 12.903 -16.959 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.516 14.244 -18.084 1.00 0.00 H new ATOM 1003 N GLU A 62 -0.373 13.781 -10.914 1.00 0.00 N ATOM 1004 CA GLU A 62 -0.870 14.454 -9.720 1.00 0.00 C ATOM 1005 C GLU A 62 -1.270 13.449 -8.648 1.00 0.00 C ATOM 1006 O GLU A 62 -0.990 13.646 -7.465 1.00 0.00 O ATOM 1007 CB GLU A 62 -2.065 15.344 -10.069 1.00 0.00 C ATOM 1008 CG GLU A 62 -2.604 16.159 -8.902 1.00 0.00 C ATOM 1009 CD GLU A 62 -3.736 17.068 -9.295 1.00 0.00 C ATOM 1010 OE1 GLU A 62 -4.184 16.978 -10.412 1.00 0.00 O ATOM 1011 OE2 GLU A 62 -4.152 17.854 -8.477 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.849 14.047 -11.776 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.064 15.073 -9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.774 16.025 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.867 14.718 -10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.944 15.481 -8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.796 16.756 -8.478 1.00 0.00 H new ATOM 1018 N ILE A 63 -1.924 12.372 -9.067 1.00 0.00 N ATOM 1019 CA ILE A 63 -2.533 11.433 -8.133 1.00 0.00 C ATOM 1020 C ILE A 63 -1.477 10.731 -7.290 1.00 0.00 C ATOM 1021 O ILE A 63 -1.335 11.007 -6.099 1.00 0.00 O ATOM 1022 CB ILE A 63 -3.376 10.384 -8.881 1.00 0.00 C ATOM 1023 CG1 ILE A 63 -4.596 11.042 -9.529 1.00 0.00 C ATOM 1024 CG2 ILE A 63 -3.807 9.274 -7.933 1.00 0.00 C ATOM 1025 CD1 ILE A 63 -5.384 10.117 -10.430 1.00 0.00 C ATOM 0 H ILE A 63 -2.046 12.127 -10.050 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.183 12.007 -7.473 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.763 9.945 -9.668 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.254 11.417 -8.745 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.267 11.904 -10.109 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.402 8.541 -8.478 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.925 8.788 -7.517 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.404 9.697 -7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.233 10.656 -10.852 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.743 9.761 -11.237 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.745 9.267 -9.852 1.00 0.00 H new ATOM 1037 N PHE A 64 -0.738 9.820 -7.914 1.00 0.00 N ATOM 1038 CA PHE A 64 0.350 9.123 -7.241 1.00 0.00 C ATOM 1039 C PHE A 64 1.164 10.077 -6.375 1.00 0.00 C ATOM 1040 O PHE A 64 1.360 9.837 -5.184 1.00 0.00 O ATOM 1041 CB PHE A 64 1.266 8.447 -8.262 1.00 0.00 C ATOM 1042 CG PHE A 64 2.573 7.978 -7.689 1.00 0.00 C ATOM 1043 CD1 PHE A 64 2.600 7.087 -6.625 1.00 0.00 C ATOM 1044 CD2 PHE A 64 3.778 8.427 -8.208 1.00 0.00 C ATOM 1045 CE1 PHE A 64 3.802 6.655 -6.097 1.00 0.00 C ATOM 1046 CE2 PHE A 64 4.980 7.996 -7.683 1.00 0.00 C ATOM 1047 CZ PHE A 64 4.992 7.109 -6.625 1.00 0.00 C ATOM 0 H PHE A 64 -0.874 9.547 -8.887 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.093 8.363 -6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.744 7.594 -8.696 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.466 9.145 -9.075 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.672 6.728 -6.205 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.776 9.123 -9.034 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.809 5.961 -5.270 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.910 8.353 -8.100 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.931 6.772 -6.212 1.00 0.00 H new ATOM 1057 N ASP A 65 1.635 11.162 -6.981 1.00 0.00 N ATOM 1058 CA ASP A 65 2.594 12.047 -6.332 1.00 0.00 C ATOM 1059 C ASP A 65 1.948 12.810 -5.182 1.00 0.00 C ATOM 1060 O ASP A 65 2.468 12.828 -4.066 1.00 0.00 O ATOM 1061 CB ASP A 65 3.181 13.036 -7.342 1.00 0.00 C ATOM 1062 CG ASP A 65 4.354 13.830 -6.781 1.00 0.00 C ATOM 1063 OD1 ASP A 65 5.410 13.263 -6.629 1.00 0.00 O ATOM 1064 OD2 ASP A 65 4.183 14.994 -6.512 1.00 0.00 O1- ATOM 0 H ASP A 65 1.367 11.449 -7.922 1.00 0.00 H new ATOM 0 HA ASP A 65 3.396 11.428 -5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.508 12.492 -8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.401 13.727 -7.662 1.00 0.00 H new ATOM 1069 N ARG A 66 0.812 13.439 -5.460 1.00 0.00 N ATOM 1070 CA ARG A 66 0.205 14.377 -4.523 1.00 0.00 C ATOM 1071 C ARG A 66 -0.677 13.654 -3.514 1.00 0.00 C ATOM 1072 O ARG A 66 -0.789 14.071 -2.361 1.00 0.00 O ATOM 1073 CB ARG A 66 -0.623 15.415 -5.265 1.00 0.00 C ATOM 1074 CG ARG A 66 -1.160 16.544 -4.398 1.00 0.00 C ATOM 1075 CD ARG A 66 -1.862 17.572 -5.208 1.00 0.00 C ATOM 1076 NE ARG A 66 -2.387 18.647 -4.383 1.00 0.00 N ATOM 1077 CZ ARG A 66 -3.268 19.575 -4.804 1.00 0.00 C ATOM 1078 NH1 ARG A 66 -3.711 19.547 -6.041 1.00 0.00 N1+ ATOM 1079 NH2 ARG A 66 -3.687 20.515 -3.974 1.00 0.00 N ATOM 0 H ARG A 66 0.292 13.316 -6.329 1.00 0.00 H new ATOM 0 HA ARG A 66 1.014 14.875 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.013 15.845 -6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.463 14.913 -5.745 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.845 16.137 -3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.337 17.008 -3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.174 17.984 -5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.679 17.105 -5.758 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.066 18.703 -3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.388 18.823 -6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.378 20.250 -6.360 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.343 20.538 -3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.354 21.217 -4.294 1.00 0.00 H new ATOM 1093 N TYR A 67 -1.304 12.569 -3.954 1.00 0.00 N ATOM 1094 CA TYR A 67 -2.363 11.930 -3.183 1.00 0.00 C ATOM 1095 C TYR A 67 -1.999 10.493 -2.831 1.00 0.00 C ATOM 1096 O TYR A 67 -2.807 9.760 -2.261 1.00 0.00 O ATOM 1097 CB TYR A 67 -3.685 11.967 -3.956 1.00 0.00 C ATOM 1098 CG TYR A 67 -4.219 13.364 -4.185 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -4.198 13.914 -5.457 1.00 0.00 C ATOM 1100 CD2 TYR A 67 -4.729 14.094 -3.121 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -4.686 15.189 -5.667 1.00 0.00 C ATOM 1102 CE2 TYR A 67 -5.217 15.369 -3.331 1.00 0.00 C ATOM 1103 CZ TYR A 67 -5.196 15.917 -4.597 1.00 0.00 C ATOM 1104 OH TYR A 67 -5.682 17.187 -4.805 1.00 0.00 O ATOM 0 H TYR A 67 -1.096 12.113 -4.842 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.482 12.487 -2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.545 11.479 -4.920 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.430 11.388 -3.411 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.800 13.345 -6.284 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.744 13.666 -2.130 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.672 15.619 -6.658 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.615 15.937 -2.504 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.002 17.558 -3.956 1.00 0.00 H new ATOM 1114 N GLY A 68 -0.777 10.098 -3.171 1.00 0.00 N ATOM 1115 CA GLY A 68 -0.290 8.760 -2.858 1.00 0.00 C ATOM 1116 C GLY A 68 -0.742 7.750 -3.904 1.00 0.00 C ATOM 1117 O GLY A 68 -1.570 8.058 -4.762 1.00 0.00 O ATOM 0 H GLY A 68 -0.105 10.686 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.799 8.770 -2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.654 8.458 -1.876 1.00 0.00 H new ATOM 1121 N GLU A 69 -0.194 6.542 -3.830 1.00 0.00 N ATOM 1122 CA GLU A 69 -0.569 5.472 -4.747 1.00 0.00 C ATOM 1123 C GLU A 69 -1.832 4.762 -4.277 1.00 0.00 C ATOM 1124 O GLU A 69 -2.520 4.113 -5.065 1.00 0.00 O ATOM 1125 CB GLU A 69 0.574 4.463 -4.884 1.00 0.00 C ATOM 1126 CG GLU A 69 0.826 3.624 -3.640 1.00 0.00 C ATOM 1127 CD GLU A 69 1.664 4.335 -2.614 1.00 0.00 C ATOM 1128 OE1 GLU A 69 1.777 5.534 -2.695 1.00 0.00 O ATOM 1129 OE2 GLU A 69 2.193 3.677 -1.748 1.00 0.00 O1- ATOM 0 H GLU A 69 0.513 6.279 -3.143 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.769 5.921 -5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.356 3.797 -5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.488 5.000 -5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.130 3.349 -3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.322 2.697 -3.928 1.00 0.00 H new ATOM 1136 N GLU A 70 -2.132 4.888 -2.989 1.00 0.00 N ATOM 1137 CA GLU A 70 -3.354 4.326 -2.428 1.00 0.00 C ATOM 1138 C GLU A 70 -4.590 4.952 -3.060 1.00 0.00 C ATOM 1139 O GLU A 70 -5.643 4.321 -3.145 1.00 0.00 O ATOM 1140 CB GLU A 70 -3.388 4.527 -0.911 1.00 0.00 C ATOM 1141 CG GLU A 70 -2.365 3.700 -0.144 1.00 0.00 C ATOM 1142 CD GLU A 70 -2.388 3.967 1.335 1.00 0.00 C ATOM 1143 OE1 GLU A 70 -3.102 4.848 1.749 1.00 0.00 O ATOM 1144 OE2 GLU A 70 -1.690 3.288 2.051 1.00 0.00 O1- ATOM 0 H GLU A 70 -1.544 5.376 -2.313 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.359 3.258 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.222 5.582 -0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.385 4.279 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.555 2.641 -0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.369 3.913 -0.531 1.00 0.00 H new ATOM 1151 N GLY A 71 -4.455 6.197 -3.504 1.00 0.00 N ATOM 1152 CA GLY A 71 -5.565 6.916 -4.119 1.00 0.00 C ATOM 1153 C GLY A 71 -5.722 6.536 -5.585 1.00 0.00 C ATOM 1154 O GLY A 71 -6.704 6.905 -6.230 1.00 0.00 O ATOM 0 H GLY A 71 -3.587 6.730 -3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.487 6.694 -3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.398 7.990 -4.035 1.00 0.00 H new ATOM 1158 N LEU A 72 -4.750 5.796 -6.107 1.00 0.00 N ATOM 1159 CA LEU A 72 -4.793 5.339 -7.490 1.00 0.00 C ATOM 1160 C LEU A 72 -5.321 3.913 -7.583 1.00 0.00 C ATOM 1161 O LEU A 72 -5.947 3.535 -8.572 1.00 0.00 O ATOM 1162 CB LEU A 72 -3.396 5.416 -8.119 1.00 0.00 C ATOM 1163 CG LEU A 72 -3.296 4.950 -9.577 1.00 0.00 C ATOM 1164 CD1 LEU A 72 -4.293 5.725 -10.427 1.00 0.00 C ATOM 1165 CD2 LEU A 72 -1.874 5.155 -10.079 1.00 0.00 C ATOM 0 H LEU A 72 -3.921 5.500 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.472 5.993 -8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.048 6.448 -8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.713 4.816 -7.517 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.536 3.889 -9.647 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.222 5.394 -11.463 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.303 5.546 -10.057 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.069 6.790 -10.370 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.803 4.824 -11.115 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.615 6.212 -10.017 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.184 4.576 -9.465 1.00 0.00 H new ATOM 1177 N LYS A 73 -5.063 3.124 -6.544 1.00 0.00 N ATOM 1178 CA LYS A 73 -5.601 1.772 -6.457 1.00 0.00 C ATOM 1179 C LYS A 73 -6.987 1.771 -5.825 1.00 0.00 C ATOM 1180 O LYS A 73 -7.850 0.974 -6.196 1.00 0.00 O ATOM 1181 CB LYS A 73 -4.658 0.870 -5.660 1.00 0.00 C ATOM 1182 CG LYS A 73 -5.131 -0.572 -5.524 1.00 0.00 C ATOM 1183 CD LYS A 73 -4.095 -1.428 -4.813 1.00 0.00 C ATOM 1184 CE LYS A 73 -4.580 -2.861 -4.646 1.00 0.00 C ATOM 1185 NZ LYS A 73 -3.592 -3.702 -3.918 1.00 0.00 N1+ ATOM 0 H LYS A 73 -4.484 3.399 -5.750 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.689 1.382 -7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.679 0.875 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.527 1.292 -4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.070 -0.598 -4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.332 -0.986 -6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.164 -1.421 -5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.876 -1.000 -3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.526 -2.863 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.773 -3.295 -5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.961 -4.670 -3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.697 -3.722 -4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.427 -3.303 -2.972 1.00 0.00 H new ATOM 1199 N GLY A 74 -7.195 2.667 -4.867 1.00 0.00 N ATOM 1200 CA GLY A 74 -8.389 2.632 -4.030 1.00 0.00 C ATOM 1201 C GLY A 74 -8.172 1.762 -2.798 1.00 0.00 C ATOM 1202 O GLY A 74 -9.065 1.027 -2.380 1.00 0.00 O ATOM 0 H GLY A 74 -6.551 3.428 -4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.651 3.644 -3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.230 2.247 -4.607 1.00 0.00 H new ATOM 1371 N SER A 91 -7.078 -4.179 -8.740 1.00 0.00 N ATOM 1372 CA SER A 91 -5.649 -3.892 -8.704 1.00 0.00 C ATOM 1373 C SER A 91 -5.323 -2.617 -9.470 1.00 0.00 C ATOM 1374 O SER A 91 -6.205 -1.996 -10.064 1.00 0.00 O ATOM 1375 CB SER A 91 -4.868 -5.054 -9.286 1.00 0.00 C ATOM 1376 OG SER A 91 -5.055 -5.142 -10.671 1.00 0.00 O ATOM 0 HA SER A 91 -5.362 -3.748 -7.662 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.808 -4.930 -9.066 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.186 -5.983 -8.813 1.00 0.00 H new ATOM 0 HG SER A 91 -4.540 -5.898 -11.023 1.00 0.00 H new ATOM 1382 N TYR A 92 -4.053 -2.230 -9.452 1.00 0.00 N ATOM 1383 CA TYR A 92 -3.569 -1.149 -10.303 1.00 0.00 C ATOM 1384 C TYR A 92 -3.882 -1.420 -11.768 1.00 0.00 C ATOM 1385 O TYR A 92 -4.018 -2.572 -12.182 1.00 0.00 O ATOM 1386 CB TYR A 92 -2.065 -0.948 -10.110 1.00 0.00 C ATOM 1387 CG TYR A 92 -1.698 -0.324 -8.781 1.00 0.00 C ATOM 1388 CD1 TYR A 92 -1.169 -1.111 -7.768 1.00 0.00 C ATOM 1389 CD2 TYR A 92 -1.889 1.034 -8.575 1.00 0.00 C ATOM 1390 CE1 TYR A 92 -0.834 -0.542 -6.555 1.00 0.00 C ATOM 1391 CE2 TYR A 92 -1.555 1.603 -7.362 1.00 0.00 C ATOM 1392 CZ TYR A 92 -1.028 0.820 -6.355 1.00 0.00 C ATOM 1393 OH TYR A 92 -0.694 1.387 -5.146 1.00 0.00 O ATOM 0 H TYR A 92 -3.339 -2.649 -8.857 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.086 -0.235 -10.010 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -1.565 -1.912 -10.199 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.686 -0.317 -10.914 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -1.019 -2.169 -7.928 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.299 1.647 -9.364 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.423 -1.153 -5.765 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -1.706 2.660 -7.201 1.00 0.00 H new ATOM 0 HH TYR A 92 -1.206 2.213 -5.019 1.00 0.00 H new ATOM 1403 N THR A 93 -3.994 -0.352 -12.551 1.00 0.00 N ATOM 1404 CA THR A 93 -4.321 -0.472 -13.968 1.00 0.00 C ATOM 1405 C THR A 93 -3.120 -0.956 -14.771 1.00 0.00 C ATOM 1406 O THR A 93 -2.570 -0.218 -15.589 1.00 0.00 O ATOM 1407 CB THR A 93 -4.817 0.870 -14.538 1.00 0.00 C ATOM 1408 OG1 THR A 93 -6.041 1.244 -13.890 1.00 0.00 O ATOM 1409 CG2 THR A 93 -5.056 0.758 -16.035 1.00 0.00 C ATOM 0 H THR A 93 -3.863 0.607 -12.228 1.00 0.00 H new ATOM 0 HA THR A 93 -5.120 -1.208 -14.054 1.00 0.00 H new ATOM 0 HB THR A 93 -4.055 1.628 -14.357 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.355 2.099 -14.252 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.406 1.716 -16.420 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.125 0.485 -16.533 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.808 -0.007 -16.227 1.00 0.00 H new ATOM 1486 N HIS A 99 3.924 0.011 -22.777 1.00 0.00 N ATOM 1487 CA HIS A 99 4.895 -0.727 -23.575 1.00 0.00 C ATOM 1488 C HIS A 99 4.658 -0.516 -25.065 1.00 0.00 C ATOM 1489 O HIS A 99 5.537 -0.778 -25.886 1.00 0.00 O ATOM 1490 CB HIS A 99 4.836 -2.224 -23.251 1.00 0.00 C ATOM 1491 CG HIS A 99 5.923 -3.023 -23.901 1.00 0.00 C ATOM 1492 ND1 HIS A 99 7.244 -2.934 -23.513 1.00 0.00 N ATOM 1493 CD2 HIS A 99 5.886 -3.924 -24.910 1.00 0.00 C ATOM 1494 CE1 HIS A 99 7.972 -3.748 -24.257 1.00 0.00 C ATOM 1495 NE2 HIS A 99 7.173 -4.359 -25.112 1.00 0.00 N ATOM 0 HA HIS A 99 5.884 -0.345 -23.323 1.00 0.00 H new ATOM 0 HB2 HIS A 99 4.897 -2.356 -22.171 1.00 0.00 H new ATOM 0 HB3 HIS A 99 3.870 -2.617 -23.566 1.00 0.00 H new ATOM 0 HD2 HIS A 99 5.009 -4.241 -25.454 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.040 -3.889 -24.179 1.00 0.00 H new ATOM 0 HE2 HIS A 99 7.464 -5.044 -25.810 1.00 0.00 H new ATOM 1502 N ALA A 100 3.466 -0.040 -25.408 1.00 0.00 N ATOM 1503 CA ALA A 100 3.188 0.427 -26.761 1.00 0.00 C ATOM 1504 C ALA A 100 3.698 1.846 -26.971 1.00 0.00 C ATOM 1505 O ALA A 100 4.243 2.171 -28.026 1.00 0.00 O ATOM 1506 CB ALA A 100 1.695 0.354 -27.050 1.00 0.00 C ATOM 0 H ALA A 100 2.676 0.033 -24.767 1.00 0.00 H new ATOM 0 HA ALA A 100 3.715 -0.226 -27.456 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.503 0.706 -28.064 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.356 -0.677 -26.954 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.156 0.981 -26.340 1.00 0.00 H new ATOM 1512 N MET A 101 3.519 2.690 -25.960 1.00 0.00 N ATOM 1513 CA MET A 101 4.183 3.987 -25.918 1.00 0.00 C ATOM 1514 C MET A 101 5.698 3.832 -25.942 1.00 0.00 C ATOM 1515 O MET A 101 6.393 4.540 -26.672 1.00 0.00 O ATOM 1516 CB MET A 101 3.746 4.763 -24.676 1.00 0.00 C ATOM 1517 CG MET A 101 2.297 5.225 -24.700 1.00 0.00 C ATOM 1518 SD MET A 101 1.727 5.812 -23.093 1.00 0.00 S ATOM 1519 CE MET A 101 2.797 7.229 -22.851 1.00 0.00 C ATOM 0 H MET A 101 2.919 2.498 -25.158 1.00 0.00 H new ATOM 0 HA MET A 101 3.890 4.547 -26.806 1.00 0.00 H new ATOM 0 HB2 MET A 101 3.900 4.136 -23.798 1.00 0.00 H new ATOM 0 HB3 MET A 101 4.390 5.635 -24.562 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.187 6.023 -25.434 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.663 4.401 -25.027 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.421 7.831 -22.024 1.00 0.00 H new ATOM 0 HE2 MET A 101 3.807 6.888 -22.622 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.815 7.831 -23.760 1.00 0.00 H new ATOM 1529 N PHE A 102 6.205 2.902 -25.140 1.00 0.00 N ATOM 1530 CA PHE A 102 7.625 2.569 -25.156 1.00 0.00 C ATOM 1531 C PHE A 102 8.071 2.122 -26.543 1.00 0.00 C ATOM 1532 O PHE A 102 9.059 2.624 -27.079 1.00 0.00 O ATOM 1533 CB PHE A 102 7.926 1.466 -24.139 1.00 0.00 C ATOM 1534 CG PHE A 102 9.355 1.004 -24.153 1.00 0.00 C ATOM 1535 CD1 PHE A 102 10.388 1.888 -23.880 1.00 0.00 C ATOM 1536 CD2 PHE A 102 9.670 -0.316 -24.437 1.00 0.00 C ATOM 1537 CE1 PHE A 102 11.703 1.464 -23.893 1.00 0.00 C ATOM 1538 CE2 PHE A 102 10.984 -0.744 -24.449 1.00 0.00 C ATOM 1539 CZ PHE A 102 12.002 0.148 -24.176 1.00 0.00 C ATOM 0 H PHE A 102 5.654 2.365 -24.470 1.00 0.00 H new ATOM 0 HA PHE A 102 8.179 3.468 -24.888 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.680 1.828 -23.141 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.276 0.614 -24.338 1.00 0.00 H new ATOM 0 HD1 PHE A 102 10.162 2.920 -23.655 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.878 -1.019 -24.652 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.498 2.164 -23.681 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.214 -1.775 -24.672 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.030 -0.184 -24.184 1.00 0.00 H new ATOM 1549 N ALA A 103 7.335 1.179 -27.120 1.00 0.00 N ATOM 1550 CA ALA A 103 7.618 0.706 -28.470 1.00 0.00 C ATOM 1551 C ALA A 103 7.648 1.860 -29.463 1.00 0.00 C ATOM 1552 O ALA A 103 8.423 1.848 -30.420 1.00 0.00 O ATOM 1553 CB ALA A 103 6.586 -0.329 -28.896 1.00 0.00 C ATOM 0 H ALA A 103 6.537 0.727 -26.674 1.00 0.00 H new ATOM 0 HA ALA A 103 8.604 0.241 -28.463 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.811 -0.673 -29.906 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.615 -1.175 -28.210 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.592 0.119 -28.878 1.00 0.00 H new ATOM 1559 N GLU A 104 6.801 2.858 -29.230 1.00 0.00 N ATOM 1560 CA GLU A 104 6.764 4.045 -30.077 1.00 0.00 C ATOM 1561 C GLU A 104 7.961 4.949 -29.810 1.00 0.00 C ATOM 1562 O GLU A 104 8.586 5.457 -30.742 1.00 0.00 O ATOM 1563 CB GLU A 104 5.466 4.821 -29.848 1.00 0.00 C ATOM 1564 CG GLU A 104 5.328 6.078 -30.696 1.00 0.00 C ATOM 1565 CD GLU A 104 5.245 5.784 -32.168 1.00 0.00 C ATOM 1566 OE1 GLU A 104 4.900 4.679 -32.516 1.00 0.00 O ATOM 1567 OE2 GLU A 104 5.526 6.664 -32.947 1.00 0.00 O1- ATOM 0 H GLU A 104 6.131 2.868 -28.461 1.00 0.00 H new ATOM 0 HA GLU A 104 6.807 3.716 -31.115 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.622 4.163 -30.055 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.403 5.098 -28.796 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.435 6.622 -30.388 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.180 6.732 -30.509 1.00 0.00 H new ATOM 1574 N PHE A 105 8.276 5.144 -28.535 1.00 0.00 N ATOM 1575 CA PHE A 105 9.329 6.072 -28.139 1.00 0.00 C ATOM 1576 C PHE A 105 10.705 5.536 -28.512 1.00 0.00 C ATOM 1577 O PHE A 105 11.460 6.183 -29.238 1.00 0.00 O ATOM 1578 CB PHE A 105 9.270 6.338 -26.634 1.00 0.00 C ATOM 1579 CG PHE A 105 8.018 7.042 -26.191 1.00 0.00 C ATOM 1580 CD1 PHE A 105 7.259 7.769 -27.094 1.00 0.00 C ATOM 1581 CD2 PHE A 105 7.599 6.977 -24.871 1.00 0.00 C ATOM 1582 CE1 PHE A 105 6.108 8.417 -26.689 1.00 0.00 C ATOM 1583 CE2 PHE A 105 6.449 7.623 -24.463 1.00 0.00 C ATOM 1584 CZ PHE A 105 5.702 8.344 -25.374 1.00 0.00 C ATOM 0 H PHE A 105 7.817 4.671 -27.757 1.00 0.00 H new ATOM 0 HA PHE A 105 9.165 7.007 -28.676 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.349 5.389 -26.103 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.134 6.937 -26.346 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.571 7.830 -28.126 1.00 0.00 H new ATOM 0 HD2 PHE A 105 8.179 6.415 -24.154 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.526 8.981 -27.403 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.134 7.565 -23.432 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.802 8.849 -25.057 1.00 0.00 H new ATOM 1594 N PHE A 106 11.028 4.348 -28.010 1.00 0.00 N ATOM 1595 CA PHE A 106 12.389 3.831 -28.077 1.00 0.00 C ATOM 1596 C PHE A 106 12.448 2.538 -28.880 1.00 0.00 C ATOM 1597 O PHE A 106 13.465 2.226 -29.499 1.00 0.00 O ATOM 1598 CB PHE A 106 12.940 3.590 -26.670 1.00 0.00 C ATOM 1599 CG PHE A 106 13.002 4.829 -25.824 1.00 0.00 C ATOM 1600 CD1 PHE A 106 12.113 5.017 -24.777 1.00 0.00 C ATOM 1601 CD2 PHE A 106 13.951 5.809 -26.072 1.00 0.00 C ATOM 1602 CE1 PHE A 106 12.170 6.157 -23.998 1.00 0.00 C ATOM 1603 CE2 PHE A 106 14.012 6.948 -25.294 1.00 0.00 C ATOM 1604 CZ PHE A 106 13.119 7.123 -24.255 1.00 0.00 C ATOM 0 H PHE A 106 10.363 3.725 -27.552 1.00 0.00 H new ATOM 0 HA PHE A 106 13.003 4.578 -28.580 1.00 0.00 H new ATOM 0 HB2 PHE A 106 12.318 2.849 -26.168 1.00 0.00 H new ATOM 0 HB3 PHE A 106 13.941 3.165 -26.749 1.00 0.00 H new ATOM 0 HD1 PHE A 106 11.368 4.264 -24.568 1.00 0.00 H new ATOM 0 HD2 PHE A 106 14.651 5.680 -26.884 1.00 0.00 H new ATOM 0 HE1 PHE A 106 11.470 6.291 -23.187 1.00 0.00 H new ATOM 0 HE2 PHE A 106 14.758 7.702 -25.498 1.00 0.00 H new ATOM 0 HZ PHE A 106 13.164 8.014 -23.646 1.00 0.00 H new ATOM 1614 N GLY A 107 11.351 1.788 -28.865 1.00 0.00 N ATOM 1615 CA GLY A 107 11.240 0.578 -29.671 1.00 0.00 C ATOM 1616 C GLY A 107 12.071 -0.555 -29.083 1.00 0.00 C ATOM 1617 O GLY A 107 12.536 -1.437 -29.804 1.00 0.00 O ATOM 0 H GLY A 107 10.526 1.997 -28.303 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.195 0.273 -29.731 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.571 0.785 -30.689 1.00 0.00 H new ATOM 1621 N GLY A 108 12.257 -0.523 -27.767 1.00 0.00 N ATOM 1622 CA GLY A 108 13.018 -1.558 -27.077 1.00 0.00 C ATOM 1623 C GLY A 108 14.495 -1.491 -27.439 1.00 0.00 C ATOM 1624 O GLY A 108 15.167 -2.518 -27.539 1.00 0.00 O ATOM 0 H GLY A 108 11.891 0.208 -27.157 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.900 -1.442 -26.000 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.621 -2.539 -27.338 1.00 0.00 H new