USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 685 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 9 TYR OH : rot 30:sc= 0.15 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.0122 K(o=0.14,f=-0.4) USER MOD Set 2.1: A 21 CYS SG : rot 147:sc= 1.14 USER MOD Set 2.2: A 24 CYS SG : rot -54:sc= 0.775 USER MOD Set 2.3: A 53 HIS : no HD1:sc= 0.644 K(o=5.4,f=2.7!) USER MOD Set 2.4: A 55 SER OG : rot -170:sc= 0.638 USER MOD Set 2.5: A 56 CYS SG : rot 144:sc= 0.21 USER MOD Set 2.6: A 59 LYS NZ :NH3+ -154:sc= 2.02 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 1.21 (180deg=1.08) USER MOD Single : A 13 TYR OH : rot -8:sc= 1.81 USER MOD Single : A 15 LYS NZ :NH3+ 179:sc= 1.97 (180deg=1.96) USER MOD Single : A 16 SER OG : rot 180:sc= 0.626 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.2) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -174:sc= 0 (180deg=-0.0403) USER MOD Single : A 38 MET CE :methyl 164:sc= -1.31 (180deg=-2.58!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 170:sc= 0.854 USER MOD Single : A 43 MET CE :methyl -119:sc= 0 (180deg=-0.124) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0435 X(o=-0.043,f=-0.37) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.253 F(o=-1.6,f=-0.25) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1 K(o=1,f=-0.33) USER MOD Single : A 83 GLN : amide:sc= 0.788 K(o=0.79,f=-0.5) USER MOD Single : A 84 LYS NZ :NH3+ -166:sc= 1.16 (180deg=0.617) USER MOD Single : A 86 LYS NZ :NH3+ 165:sc= 1.23 (180deg=1.06) USER MOD Single : A 87 LYS NZ :NH3+ 174:sc= 0.1 (180deg=0.0921) USER MOD Single : A 88 THR OG1 : rot 95:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 79 N LYS A 7 -2.790 -4.845 11.697 1.00 0.00 N ATOM 80 CA LYS A 7 -3.578 -4.191 10.640 1.00 0.00 C ATOM 81 C LYS A 7 -2.944 -4.530 9.300 1.00 0.00 C ATOM 82 O LYS A 7 -1.869 -4.050 8.957 1.00 0.00 O ATOM 83 CB LYS A 7 -3.768 -2.681 10.859 1.00 0.00 C ATOM 84 CG LYS A 7 -2.747 -1.984 11.764 1.00 0.00 C ATOM 85 CD LYS A 7 -1.313 -1.973 11.216 1.00 0.00 C ATOM 86 CE LYS A 7 -0.415 -1.178 12.168 1.00 0.00 C ATOM 87 NZ LYS A 7 0.865 -0.788 11.526 1.00 0.00 N ATOM 0 HA LYS A 7 -4.597 -4.578 10.665 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.750 -2.191 9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.761 -2.520 11.279 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.068 -0.955 11.927 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.747 -2.476 12.737 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.942 -2.993 11.114 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.294 -1.526 10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.941 -0.283 12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.208 -1.776 13.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.523 -0.435 12.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.282 -1.615 11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.688 -0.040 10.825 1.00 0.00 H new ATOM 101 N LEU A 8 -3.574 -5.465 8.602 1.00 0.00 N ATOM 102 CA LEU A 8 -2.917 -6.323 7.620 1.00 0.00 C ATOM 103 C LEU A 8 -2.534 -5.618 6.312 1.00 0.00 C ATOM 104 O LEU A 8 -1.747 -6.183 5.556 1.00 0.00 O ATOM 105 CB LEU A 8 -3.706 -7.638 7.431 1.00 0.00 C ATOM 106 CG LEU A 8 -5.243 -7.552 7.326 1.00 0.00 C ATOM 107 CD1 LEU A 8 -5.720 -6.628 6.213 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.821 -8.944 7.065 1.00 0.00 C ATOM 0 H LEU A 8 -4.571 -5.653 8.702 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.945 -6.591 8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.336 -8.122 6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.465 -8.295 8.266 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.590 -7.143 8.275 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.810 -6.613 6.194 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.347 -5.620 6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.346 -6.989 5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.907 -8.879 6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.417 -9.337 6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.552 -9.609 7.885 1.00 0.00 H new ATOM 120 N TYR A 9 -2.988 -4.380 6.091 1.00 0.00 N ATOM 121 CA TYR A 9 -2.579 -3.534 4.976 1.00 0.00 C ATOM 122 C TYR A 9 -2.087 -2.175 5.490 1.00 0.00 C ATOM 123 O TYR A 9 -2.532 -1.680 6.527 1.00 0.00 O ATOM 124 CB TYR A 9 -3.745 -3.371 3.987 1.00 0.00 C ATOM 125 CG TYR A 9 -4.367 -4.657 3.460 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.556 -5.700 2.980 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.766 -4.801 3.431 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.129 -6.877 2.457 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.349 -5.970 2.901 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.532 -7.013 2.410 1.00 0.00 C ATOM 131 OH TYR A 9 -6.094 -8.151 1.917 1.00 0.00 O ATOM 0 H TYR A 9 -3.669 -3.930 6.703 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.751 -4.009 4.450 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.527 -2.787 4.473 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.393 -2.787 3.136 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.481 -5.598 3.012 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.396 -4.013 3.816 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.495 -7.672 2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.424 -6.069 2.870 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.496 -8.910 2.083 1.00 0.00 H new ATOM 141 N ARG A 10 -1.183 -1.545 4.742 1.00 0.00 N ATOM 142 CA ARG A 10 -0.639 -0.201 4.976 1.00 0.00 C ATOM 143 C ARG A 10 -0.587 0.553 3.643 1.00 0.00 C ATOM 144 O ARG A 10 -0.347 -0.069 2.614 1.00 0.00 O ATOM 145 CB ARG A 10 0.715 -0.323 5.719 1.00 0.00 C ATOM 146 CG ARG A 10 1.782 0.769 5.493 1.00 0.00 C ATOM 147 CD ARG A 10 1.432 2.183 5.984 1.00 0.00 C ATOM 148 NE ARG A 10 1.415 2.365 7.450 1.00 0.00 N ATOM 149 CZ ARG A 10 1.487 3.549 8.041 1.00 0.00 C ATOM 150 NH1 ARG A 10 1.988 4.607 7.479 1.00 0.00 N ATOM 151 NH2 ARG A 10 1.021 3.710 9.240 1.00 0.00 N ATOM 0 H ARG A 10 -0.786 -1.980 3.909 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.277 0.395 5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.504 -0.364 6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.158 -1.281 5.445 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.702 0.455 5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.995 0.822 4.425 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.149 2.884 5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.451 2.452 5.591 1.00 0.00 H new ATOM 0 HE ARG A 10 1.344 1.535 8.039 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.355 4.554 6.529 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.015 5.491 7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.597 2.924 9.732 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.078 4.623 9.691 1.00 0.00 H new ATOM 165 N VAL A 11 -0.807 1.865 3.652 1.00 0.00 N ATOM 166 CA VAL A 11 -0.574 2.799 2.535 1.00 0.00 C ATOM 167 C VAL A 11 0.050 4.102 3.039 1.00 0.00 C ATOM 168 O VAL A 11 -0.268 4.549 4.138 1.00 0.00 O ATOM 169 CB VAL A 11 -1.894 3.062 1.794 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.825 4.042 2.527 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.654 3.629 0.390 1.00 0.00 C ATOM 0 H VAL A 11 -1.172 2.338 4.479 1.00 0.00 H new ATOM 0 HA VAL A 11 0.131 2.349 1.836 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.374 2.085 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.737 4.180 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.077 3.640 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.322 5.002 2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.612 3.801 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.110 4.571 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.069 2.919 -0.194 1.00 0.00 H new ATOM 181 N GLU A 12 0.942 4.719 2.262 1.00 0.00 N ATOM 182 CA GLU A 12 1.568 6.000 2.609 1.00 0.00 C ATOM 183 C GLU A 12 2.306 6.646 1.436 1.00 0.00 C ATOM 184 O GLU A 12 2.709 5.989 0.474 1.00 0.00 O ATOM 185 CB GLU A 12 2.565 5.818 3.776 1.00 0.00 C ATOM 186 CG GLU A 12 3.715 4.849 3.459 1.00 0.00 C ATOM 187 CD GLU A 12 4.674 4.694 4.644 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.198 4.514 5.789 1.00 0.00 O ATOM 189 OE2 GLU A 12 5.906 4.711 4.409 1.00 0.00 O ATOM 0 H GLU A 12 1.254 4.342 1.367 1.00 0.00 H new ATOM 0 HA GLU A 12 0.752 6.662 2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.982 6.789 4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.025 5.454 4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.306 3.874 3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.266 5.211 2.591 1.00 0.00 H new ATOM 196 N TYR A 13 2.567 7.943 1.589 1.00 0.00 N ATOM 197 CA TYR A 13 3.643 8.628 0.885 1.00 0.00 C ATOM 198 C TYR A 13 4.981 8.264 1.540 1.00 0.00 C ATOM 199 O TYR A 13 5.220 8.594 2.705 1.00 0.00 O ATOM 200 CB TYR A 13 3.382 10.136 0.924 1.00 0.00 C ATOM 201 CG TYR A 13 1.985 10.554 0.505 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.418 10.053 -0.682 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.252 11.446 1.311 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.163 10.520 -1.115 1.00 0.00 C ATOM 205 CE2 TYR A 13 -0.009 11.904 0.891 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.548 11.456 -0.334 1.00 0.00 C ATOM 207 OH TYR A 13 -1.757 11.915 -0.742 1.00 0.00 O ATOM 0 H TYR A 13 2.032 8.550 2.210 1.00 0.00 H new ATOM 0 HA TYR A 13 3.684 8.318 -0.159 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.565 10.495 1.937 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.104 10.632 0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.946 9.310 -1.261 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.659 11.779 2.254 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.256 10.162 -2.044 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.564 12.598 1.505 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.938 11.597 -1.651 1.00 0.00 H new ATOM 217 N ALA A 14 5.843 7.572 0.800 1.00 0.00 N ATOM 218 CA ALA A 14 7.075 6.966 1.296 1.00 0.00 C ATOM 219 C ALA A 14 8.006 7.956 2.020 1.00 0.00 C ATOM 220 O ALA A 14 8.130 9.112 1.618 1.00 0.00 O ATOM 221 CB ALA A 14 7.783 6.333 0.094 1.00 0.00 C ATOM 0 H ALA A 14 5.698 7.412 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 14 6.818 6.222 2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.712 5.867 0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.137 5.577 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.005 7.103 -0.645 1.00 0.00 H new ATOM 227 N LYS A 15 8.712 7.491 3.055 1.00 0.00 N ATOM 228 CA LYS A 15 9.721 8.281 3.797 1.00 0.00 C ATOM 229 C LYS A 15 11.159 7.770 3.633 1.00 0.00 C ATOM 230 O LYS A 15 12.089 8.354 4.185 1.00 0.00 O ATOM 231 CB LYS A 15 9.267 8.478 5.258 1.00 0.00 C ATOM 232 CG LYS A 15 7.965 9.300 5.366 1.00 0.00 C ATOM 233 CD LYS A 15 8.142 10.786 4.994 1.00 0.00 C ATOM 234 CE LYS A 15 6.799 11.500 4.798 1.00 0.00 C ATOM 235 NZ LYS A 15 6.197 11.197 3.473 1.00 0.00 N ATOM 0 H LYS A 15 8.603 6.542 3.413 1.00 0.00 H new ATOM 0 HA LYS A 15 9.773 9.270 3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.118 7.504 5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.057 8.980 5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.211 8.858 4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.585 9.232 6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.708 11.290 5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.728 10.862 4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.110 11.199 5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.943 12.576 4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.283 11.685 3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.835 11.522 2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.051 10.171 3.384 1.00 0.00 H new ATOM 249 N SER A 16 11.344 6.723 2.826 1.00 0.00 N ATOM 250 CA SER A 16 12.642 6.193 2.395 1.00 0.00 C ATOM 251 C SER A 16 12.633 5.807 0.914 1.00 0.00 C ATOM 252 O SER A 16 11.603 5.403 0.374 1.00 0.00 O ATOM 253 CB SER A 16 13.034 4.980 3.252 1.00 0.00 C ATOM 254 OG SER A 16 12.091 3.925 3.095 1.00 0.00 O ATOM 0 H SER A 16 10.560 6.198 2.438 1.00 0.00 H new ATOM 0 HA SER A 16 13.380 6.984 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.027 4.632 2.966 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.089 5.272 4.301 1.00 0.00 H new ATOM 0 HG SER A 16 12.359 3.161 3.647 1.00 0.00 H new ATOM 260 N GLY A 17 13.801 5.891 0.272 1.00 0.00 N ATOM 261 CA GLY A 17 14.071 5.337 -1.063 1.00 0.00 C ATOM 262 C GLY A 17 14.628 3.906 -1.027 1.00 0.00 C ATOM 263 O GLY A 17 15.345 3.508 -1.947 1.00 0.00 O ATOM 0 H GLY A 17 14.611 6.360 0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.150 5.346 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.781 5.983 -1.580 1.00 0.00 H new ATOM 267 N ARG A 18 14.436 3.190 0.095 1.00 0.00 N ATOM 268 CA ARG A 18 15.163 1.960 0.484 1.00 0.00 C ATOM 269 C ARG A 18 14.271 0.740 0.737 1.00 0.00 C ATOM 270 O ARG A 18 14.778 -0.382 0.772 1.00 0.00 O ATOM 271 CB ARG A 18 16.012 2.252 1.741 1.00 0.00 C ATOM 272 CG ARG A 18 17.087 3.346 1.600 1.00 0.00 C ATOM 273 CD ARG A 18 18.246 2.963 0.670 1.00 0.00 C ATOM 274 NE ARG A 18 17.884 3.066 -0.755 1.00 0.00 N ATOM 275 CZ ARG A 18 18.641 2.863 -1.813 1.00 0.00 C ATOM 276 NH1 ARG A 18 19.905 2.564 -1.745 1.00 0.00 N ATOM 277 NH2 ARG A 18 18.118 2.960 -2.997 1.00 0.00 N ATOM 0 H ARG A 18 13.740 3.462 0.789 1.00 0.00 H new ATOM 0 HA ARG A 18 15.787 1.694 -0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 18 15.339 2.536 2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 18 16.503 1.327 2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 18 16.618 4.256 1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.487 3.577 2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 18 19.099 3.610 0.872 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.561 1.943 0.889 1.00 0.00 H new ATOM 0 HE ARG A 18 16.918 3.330 -0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.360 2.476 -0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.441 2.418 -2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.130 3.191 -3.101 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.695 2.805 -3.824 1.00 0.00 H new ATOM 291 N ALA A 19 12.962 0.938 0.896 1.00 0.00 N ATOM 292 CA ALA A 19 11.992 -0.156 0.918 1.00 0.00 C ATOM 293 C ALA A 19 11.946 -0.837 -0.460 1.00 0.00 C ATOM 294 O ALA A 19 11.948 -0.163 -1.492 1.00 0.00 O ATOM 295 CB ALA A 19 10.620 0.378 1.339 1.00 0.00 C ATOM 0 H ALA A 19 12.545 1.861 1.013 1.00 0.00 H new ATOM 0 HA ALA A 19 12.293 -0.907 1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.900 -0.440 1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.690 0.818 2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.292 1.137 0.629 1.00 0.00 H new ATOM 301 N SER A 20 11.904 -2.168 -0.484 1.00 0.00 N ATOM 302 CA SER A 20 11.995 -2.969 -1.710 1.00 0.00 C ATOM 303 C SER A 20 10.644 -3.577 -2.078 1.00 0.00 C ATOM 304 O SER A 20 9.886 -4.004 -1.203 1.00 0.00 O ATOM 305 CB SER A 20 13.090 -4.036 -1.598 1.00 0.00 C ATOM 306 OG SER A 20 12.906 -4.865 -0.459 1.00 0.00 O ATOM 0 H SER A 20 11.804 -2.732 0.360 1.00 0.00 H new ATOM 0 HA SER A 20 12.279 -2.301 -2.523 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.092 -4.651 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.065 -3.552 -1.541 1.00 0.00 H new ATOM 0 HG SER A 20 13.622 -5.534 -0.422 1.00 0.00 H new ATOM 312 N CYS A 21 10.343 -3.604 -3.376 1.00 0.00 N ATOM 313 CA CYS A 21 9.091 -4.141 -3.893 1.00 0.00 C ATOM 314 C CYS A 21 9.120 -5.675 -3.926 1.00 0.00 C ATOM 315 O CYS A 21 9.982 -6.288 -4.564 1.00 0.00 O ATOM 316 CB CYS A 21 8.849 -3.529 -5.266 1.00 0.00 C ATOM 317 SG CYS A 21 7.236 -4.054 -5.948 1.00 0.00 S ATOM 0 H CYS A 21 10.968 -3.251 -4.101 1.00 0.00 H new ATOM 0 HA CYS A 21 8.261 -3.877 -3.237 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.880 -2.442 -5.193 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.648 -3.826 -5.945 1.00 0.00 H new ATOM 0 HG CYS A 21 6.733 -3.092 -6.663 1.00 0.00 H new ATOM 322 N LYS A 22 8.163 -6.304 -3.242 1.00 0.00 N ATOM 323 CA LYS A 22 8.083 -7.769 -3.093 1.00 0.00 C ATOM 324 C LYS A 22 7.402 -8.469 -4.280 1.00 0.00 C ATOM 325 O LYS A 22 7.306 -9.698 -4.282 1.00 0.00 O ATOM 326 CB LYS A 22 7.404 -8.109 -1.753 1.00 0.00 C ATOM 327 CG LYS A 22 8.037 -7.433 -0.527 1.00 0.00 C ATOM 328 CD LYS A 22 9.441 -7.932 -0.164 1.00 0.00 C ATOM 329 CE LYS A 22 9.429 -9.399 0.289 1.00 0.00 C ATOM 330 NZ LYS A 22 10.782 -9.853 0.703 1.00 0.00 N ATOM 0 H LYS A 22 7.408 -5.809 -2.767 1.00 0.00 H new ATOM 0 HA LYS A 22 9.101 -8.158 -3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.354 -7.821 -1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.431 -9.189 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.085 -6.359 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.381 -7.583 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.099 -7.824 -1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.853 -7.310 0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.734 -9.518 1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.066 -10.029 -0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.738 -10.848 1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.439 -9.762 -0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.118 -9.268 1.494 1.00 0.00 H new ATOM 344 N LYS A 23 6.938 -7.706 -5.282 1.00 0.00 N ATOM 345 CA LYS A 23 6.243 -8.210 -6.484 1.00 0.00 C ATOM 346 C LYS A 23 7.060 -8.042 -7.770 1.00 0.00 C ATOM 347 O LYS A 23 7.221 -9.031 -8.488 1.00 0.00 O ATOM 348 CB LYS A 23 4.848 -7.565 -6.567 1.00 0.00 C ATOM 349 CG LYS A 23 4.011 -7.944 -7.803 1.00 0.00 C ATOM 350 CD LYS A 23 3.771 -9.454 -7.959 1.00 0.00 C ATOM 351 CE LYS A 23 2.814 -9.713 -9.129 1.00 0.00 C ATOM 352 NZ LYS A 23 2.574 -11.165 -9.338 1.00 0.00 N ATOM 0 H LYS A 23 7.037 -6.691 -5.281 1.00 0.00 H new ATOM 0 HA LYS A 23 6.122 -9.289 -6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.287 -7.839 -5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.967 -6.482 -6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.047 -7.438 -7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.513 -7.573 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.718 -9.965 -8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.353 -9.861 -7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.865 -9.212 -8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.228 -9.279 -10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.922 -11.298 -10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.476 -11.640 -9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.156 -11.575 -8.479 1.00 0.00 H new ATOM 366 N CYS A 24 7.594 -6.845 -8.050 1.00 0.00 N ATOM 367 CA CYS A 24 8.416 -6.596 -9.250 1.00 0.00 C ATOM 368 C CYS A 24 9.946 -6.579 -8.992 1.00 0.00 C ATOM 369 O CYS A 24 10.739 -6.465 -9.932 1.00 0.00 O ATOM 370 CB CYS A 24 7.861 -5.407 -10.055 1.00 0.00 C ATOM 371 SG CYS A 24 8.333 -3.768 -9.389 1.00 0.00 S ATOM 0 H CYS A 24 7.471 -6.024 -7.457 1.00 0.00 H new ATOM 0 HA CYS A 24 8.319 -7.468 -9.897 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.212 -5.484 -11.084 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.774 -5.477 -10.083 1.00 0.00 H new ATOM 0 HG CYS A 24 8.002 -3.698 -8.134 1.00 0.00 H new ATOM 376 N SER A 25 10.362 -6.780 -7.734 1.00 0.00 N ATOM 377 CA SER A 25 11.761 -6.912 -7.283 1.00 0.00 C ATOM 378 C SER A 25 12.654 -5.676 -7.513 1.00 0.00 C ATOM 379 O SER A 25 13.883 -5.771 -7.458 1.00 0.00 O ATOM 380 CB SER A 25 12.404 -8.209 -7.803 1.00 0.00 C ATOM 381 OG SER A 25 11.620 -9.345 -7.456 1.00 0.00 O ATOM 0 H SER A 25 9.701 -6.859 -6.961 1.00 0.00 H new ATOM 0 HA SER A 25 11.694 -6.977 -6.197 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.513 -8.156 -8.886 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.406 -8.314 -7.387 1.00 0.00 H new ATOM 0 HG SER A 25 12.049 -10.156 -7.800 1.00 0.00 H new ATOM 387 N GLU A 26 12.053 -4.505 -7.742 1.00 0.00 N ATOM 388 CA GLU A 26 12.731 -3.198 -7.756 1.00 0.00 C ATOM 389 C GLU A 26 12.677 -2.536 -6.360 1.00 0.00 C ATOM 390 O GLU A 26 12.354 -3.182 -5.359 1.00 0.00 O ATOM 391 CB GLU A 26 12.139 -2.308 -8.869 1.00 0.00 C ATOM 392 CG GLU A 26 12.340 -2.904 -10.273 1.00 0.00 C ATOM 393 CD GLU A 26 11.926 -1.953 -11.420 1.00 0.00 C ATOM 394 OE1 GLU A 26 11.933 -0.709 -11.247 1.00 0.00 O ATOM 395 OE2 GLU A 26 11.640 -2.450 -12.538 1.00 0.00 O ATOM 0 H GLU A 26 11.053 -4.434 -7.929 1.00 0.00 H new ATOM 0 HA GLU A 26 13.787 -3.339 -7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.074 -2.166 -8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.603 -1.323 -8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.389 -3.172 -10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.764 -3.826 -10.352 1.00 0.00 H new ATOM 402 N SER A 27 13.002 -1.245 -6.264 1.00 0.00 N ATOM 403 CA SER A 27 12.969 -0.453 -5.033 1.00 0.00 C ATOM 404 C SER A 27 11.960 0.685 -5.140 1.00 0.00 C ATOM 405 O SER A 27 11.524 1.064 -6.234 1.00 0.00 O ATOM 406 CB SER A 27 14.372 0.037 -4.697 1.00 0.00 C ATOM 407 OG SER A 27 14.427 0.559 -3.383 1.00 0.00 O ATOM 0 H SER A 27 13.307 -0.702 -7.072 1.00 0.00 H new ATOM 0 HA SER A 27 12.633 -1.082 -4.209 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.081 -0.785 -4.795 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.673 0.805 -5.410 1.00 0.00 H new ATOM 0 HG SER A 27 15.338 0.865 -3.191 1.00 0.00 H new ATOM 413 N ILE A 28 11.522 1.187 -3.990 1.00 0.00 N ATOM 414 CA ILE A 28 10.408 2.122 -3.854 1.00 0.00 C ATOM 415 C ILE A 28 10.953 3.508 -3.448 1.00 0.00 C ATOM 416 O ILE A 28 11.560 3.614 -2.380 1.00 0.00 O ATOM 417 CB ILE A 28 9.384 1.567 -2.836 1.00 0.00 C ATOM 418 CG1 ILE A 28 8.932 0.115 -3.151 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.161 2.501 -2.789 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.200 -0.560 -1.987 1.00 0.00 C ATOM 0 H ILE A 28 11.947 0.946 -3.095 1.00 0.00 H new ATOM 0 HA ILE A 28 9.887 2.238 -4.804 1.00 0.00 H new ATOM 0 HB ILE A 28 9.879 1.531 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.279 0.127 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.806 -0.480 -3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.436 2.115 -2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.477 3.499 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.704 2.552 -3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.913 -1.571 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.858 -0.603 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.307 0.013 -1.737 1.00 0.00 H new ATOM 432 N PRO A 29 10.772 4.570 -4.264 1.00 0.00 N ATOM 433 CA PRO A 29 11.364 5.887 -4.013 1.00 0.00 C ATOM 434 C PRO A 29 10.622 6.701 -2.935 1.00 0.00 C ATOM 435 O PRO A 29 9.403 6.590 -2.781 1.00 0.00 O ATOM 436 CB PRO A 29 11.359 6.600 -5.369 1.00 0.00 C ATOM 437 CG PRO A 29 10.155 5.993 -6.086 1.00 0.00 C ATOM 438 CD PRO A 29 10.115 4.556 -5.567 1.00 0.00 C ATOM 0 HA PRO A 29 12.371 5.779 -3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.256 7.679 -5.255 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.284 6.424 -5.918 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.236 6.530 -5.851 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.275 6.025 -7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.087 4.203 -5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.627 3.881 -6.253 1.00 0.00 H new ATOM 446 N LYS A 30 11.360 7.572 -2.226 1.00 0.00 N ATOM 447 CA LYS A 30 10.832 8.510 -1.218 1.00 0.00 C ATOM 448 C LYS A 30 9.798 9.486 -1.807 1.00 0.00 C ATOM 449 O LYS A 30 9.923 9.934 -2.948 1.00 0.00 O ATOM 450 CB LYS A 30 12.017 9.244 -0.559 1.00 0.00 C ATOM 451 CG LYS A 30 11.584 10.157 0.598 1.00 0.00 C ATOM 452 CD LYS A 30 12.791 10.740 1.347 1.00 0.00 C ATOM 453 CE LYS A 30 12.370 11.667 2.498 1.00 0.00 C ATOM 454 NZ LYS A 30 11.774 12.943 2.016 1.00 0.00 N ATOM 0 H LYS A 30 12.371 7.646 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 30 10.291 7.946 -0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.732 8.510 -0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.533 9.840 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.970 10.970 0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.963 9.593 1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.398 9.926 1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.417 11.294 0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.649 11.150 3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.239 11.887 3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.570 13.559 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.443 13.420 1.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.892 12.742 1.503 1.00 0.00 H new ATOM 468 N ASP A 31 8.782 9.814 -1.008 1.00 0.00 N ATOM 469 CA ASP A 31 7.621 10.658 -1.328 1.00 0.00 C ATOM 470 C ASP A 31 6.900 10.277 -2.641 1.00 0.00 C ATOM 471 O ASP A 31 6.391 11.125 -3.378 1.00 0.00 O ATOM 472 CB ASP A 31 7.955 12.150 -1.145 1.00 0.00 C ATOM 473 CG ASP A 31 8.241 12.489 0.329 1.00 0.00 C ATOM 474 OD1 ASP A 31 7.338 12.309 1.182 1.00 0.00 O ATOM 475 OD2 ASP A 31 9.367 12.947 0.639 1.00 0.00 O ATOM 0 H ASP A 31 8.742 9.473 -0.047 1.00 0.00 H new ATOM 0 HA ASP A 31 6.846 10.445 -0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.822 12.407 -1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.123 12.756 -1.504 1.00 0.00 H new ATOM 480 N SER A 32 6.824 8.967 -2.900 1.00 0.00 N ATOM 481 CA SER A 32 5.925 8.319 -3.860 1.00 0.00 C ATOM 482 C SER A 32 4.950 7.411 -3.102 1.00 0.00 C ATOM 483 O SER A 32 5.142 7.143 -1.913 1.00 0.00 O ATOM 484 CB SER A 32 6.736 7.546 -4.902 1.00 0.00 C ATOM 485 OG SER A 32 5.888 7.122 -5.956 1.00 0.00 O ATOM 0 H SER A 32 7.421 8.294 -2.419 1.00 0.00 H new ATOM 0 HA SER A 32 5.344 9.070 -4.396 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.533 8.177 -5.296 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.213 6.683 -4.437 1.00 0.00 H new ATOM 0 HG SER A 32 6.413 6.629 -6.621 1.00 0.00 H new ATOM 491 N LEU A 33 3.880 6.952 -3.747 1.00 0.00 N ATOM 492 CA LEU A 33 2.803 6.220 -3.089 1.00 0.00 C ATOM 493 C LEU A 33 3.158 4.727 -3.003 1.00 0.00 C ATOM 494 O LEU A 33 3.428 4.080 -4.021 1.00 0.00 O ATOM 495 CB LEU A 33 1.481 6.500 -3.831 1.00 0.00 C ATOM 496 CG LEU A 33 0.230 5.939 -3.131 1.00 0.00 C ATOM 497 CD1 LEU A 33 -0.096 6.652 -1.821 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.989 6.076 -4.045 1.00 0.00 C ATOM 0 H LEU A 33 3.736 7.079 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 33 2.672 6.558 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.365 7.577 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.543 6.075 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 33 0.454 4.895 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.988 6.209 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.742 6.547 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.275 7.709 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.869 5.676 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.152 7.128 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.816 5.521 -4.967 1.00 0.00 H new ATOM 510 N ARG A 34 3.150 4.176 -1.785 1.00 0.00 N ATOM 511 CA ARG A 34 3.504 2.782 -1.491 1.00 0.00 C ATOM 512 C ARG A 34 2.500 2.132 -0.551 1.00 0.00 C ATOM 513 O ARG A 34 1.822 2.814 0.215 1.00 0.00 O ATOM 514 CB ARG A 34 4.959 2.683 -0.994 1.00 0.00 C ATOM 515 CG ARG A 34 5.273 3.250 0.405 1.00 0.00 C ATOM 516 CD ARG A 34 6.748 2.973 0.758 1.00 0.00 C ATOM 517 NE ARG A 34 7.139 3.521 2.074 1.00 0.00 N ATOM 518 CZ ARG A 34 8.359 3.705 2.545 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.439 3.498 1.848 1.00 0.00 N ATOM 520 NH2 ARG A 34 8.505 4.160 3.751 1.00 0.00 N ATOM 0 H ARG A 34 2.889 4.703 -0.951 1.00 0.00 H new ATOM 0 HA ARG A 34 3.450 2.209 -2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.247 1.632 -1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.596 3.195 -1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.079 4.322 0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.619 2.794 1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.921 1.897 0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.387 3.403 -0.013 1.00 0.00 H new ATOM 0 HE ARG A 34 6.374 3.789 2.693 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.369 3.176 0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.355 3.658 2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.685 4.370 4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.440 4.308 4.131 1.00 0.00 H new ATOM 534 N MET A 35 2.425 0.809 -0.616 1.00 0.00 N ATOM 535 CA MET A 35 1.598 -0.044 0.235 1.00 0.00 C ATOM 536 C MET A 35 2.450 -1.107 0.929 1.00 0.00 C ATOM 537 O MET A 35 3.551 -1.411 0.480 1.00 0.00 O ATOM 538 CB MET A 35 0.436 -0.664 -0.561 1.00 0.00 C ATOM 539 CG MET A 35 -0.628 0.388 -0.889 1.00 0.00 C ATOM 540 SD MET A 35 -2.116 -0.200 -1.746 1.00 0.00 S ATOM 541 CE MET A 35 -2.994 -1.002 -0.373 1.00 0.00 C ATOM 0 H MET A 35 2.965 0.273 -1.296 1.00 0.00 H new ATOM 0 HA MET A 35 1.154 0.576 1.014 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.816 -1.102 -1.484 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.013 -1.473 0.015 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.937 0.862 0.043 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.165 1.161 -1.502 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.881 -1.508 -0.754 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.337 -1.730 0.103 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.292 -0.250 0.357 1.00 0.00 H new ATOM 551 N ALA A 36 1.964 -1.645 2.045 1.00 0.00 N ATOM 552 CA ALA A 36 2.646 -2.687 2.814 1.00 0.00 C ATOM 553 C ALA A 36 1.665 -3.728 3.370 1.00 0.00 C ATOM 554 O ALA A 36 0.457 -3.484 3.414 1.00 0.00 O ATOM 555 CB ALA A 36 3.500 -2.054 3.923 1.00 0.00 C ATOM 0 H ALA A 36 1.070 -1.365 2.449 1.00 0.00 H new ATOM 0 HA ALA A 36 3.310 -3.226 2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.002 -2.839 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.245 -1.395 3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.860 -1.479 4.592 1.00 0.00 H new ATOM 561 N ILE A 37 2.190 -4.869 3.824 1.00 0.00 N ATOM 562 CA ILE A 37 1.410 -5.969 4.404 1.00 0.00 C ATOM 563 C ILE A 37 2.056 -6.436 5.704 1.00 0.00 C ATOM 564 O ILE A 37 3.271 -6.620 5.740 1.00 0.00 O ATOM 565 CB ILE A 37 1.273 -7.088 3.342 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.059 -6.882 2.601 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.387 -8.516 3.889 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.247 -7.720 1.337 1.00 0.00 C ATOM 0 H ILE A 37 3.192 -5.059 3.799 1.00 0.00 H new ATOM 0 HA ILE A 37 0.404 -5.645 4.669 1.00 0.00 H new ATOM 0 HB ILE A 37 2.122 -6.998 2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.875 -7.105 3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.147 -5.829 2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.278 -9.229 3.071 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.361 -8.649 4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.602 -8.687 4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.218 -7.497 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.541 -7.482 0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.199 -8.779 1.592 1.00 0.00 H new ATOM 580 N MET A 38 1.270 -6.659 6.762 1.00 0.00 N ATOM 581 CA MET A 38 1.792 -7.228 8.013 1.00 0.00 C ATOM 582 C MET A 38 1.802 -8.760 7.958 1.00 0.00 C ATOM 583 O MET A 38 0.744 -9.385 7.867 1.00 0.00 O ATOM 584 CB MET A 38 1.007 -6.734 9.243 1.00 0.00 C ATOM 585 CG MET A 38 0.948 -5.213 9.447 1.00 0.00 C ATOM 586 SD MET A 38 2.318 -4.390 10.310 1.00 0.00 S ATOM 587 CE MET A 38 3.714 -4.789 9.238 1.00 0.00 C ATOM 0 H MET A 38 0.271 -6.455 6.779 1.00 0.00 H new ATOM 0 HA MET A 38 2.819 -6.879 8.119 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.014 -7.109 9.171 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.449 -7.182 10.133 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.853 -4.752 8.464 1.00 0.00 H new ATOM 0 HG3 MET A 38 0.032 -4.989 9.994 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.552 -4.132 9.472 1.00 0.00 H new ATOM 0 HE2 MET A 38 4.010 -5.826 9.397 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.424 -4.651 8.196 1.00 0.00 H new ATOM 597 N VAL A 39 2.987 -9.364 8.080 1.00 0.00 N ATOM 598 CA VAL A 39 3.162 -10.830 8.172 1.00 0.00 C ATOM 599 C VAL A 39 4.118 -11.220 9.300 1.00 0.00 C ATOM 600 O VAL A 39 5.057 -10.494 9.608 1.00 0.00 O ATOM 601 CB VAL A 39 3.595 -11.420 6.814 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.989 -10.963 6.380 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.537 -12.951 6.777 1.00 0.00 C ATOM 0 H VAL A 39 3.867 -8.850 8.119 1.00 0.00 H new ATOM 0 HA VAL A 39 2.194 -11.264 8.424 1.00 0.00 H new ATOM 0 HB VAL A 39 2.864 -11.028 6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.236 -11.412 5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.004 -9.877 6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.722 -11.274 7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.853 -13.303 5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.200 -13.359 7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.516 -13.281 6.969 1.00 0.00 H new ATOM 613 N GLN A 40 3.882 -12.370 9.928 1.00 0.00 N ATOM 614 CA GLN A 40 4.796 -12.979 10.906 1.00 0.00 C ATOM 615 C GLN A 40 6.067 -13.504 10.218 1.00 0.00 C ATOM 616 O GLN A 40 5.999 -14.272 9.256 1.00 0.00 O ATOM 617 CB GLN A 40 4.075 -14.070 11.721 1.00 0.00 C ATOM 618 CG GLN A 40 3.111 -14.940 10.893 1.00 0.00 C ATOM 619 CD GLN A 40 2.600 -16.142 11.687 1.00 0.00 C ATOM 620 OE1 GLN A 40 1.521 -16.127 12.265 1.00 0.00 O ATOM 621 NE2 GLN A 40 3.352 -17.222 11.759 1.00 0.00 N ATOM 0 H GLN A 40 3.036 -12.919 9.772 1.00 0.00 H new ATOM 0 HA GLN A 40 5.114 -12.211 11.611 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.821 -14.715 12.185 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.517 -13.596 12.528 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.265 -14.335 10.567 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.619 -15.289 9.994 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.253 -17.249 11.282 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.033 -18.031 12.291 1.00 0.00 H new ATOM 630 N SER A 41 7.235 -13.077 10.702 1.00 0.00 N ATOM 631 CA SER A 41 8.521 -13.333 10.050 1.00 0.00 C ATOM 632 C SER A 41 9.113 -14.708 10.375 1.00 0.00 C ATOM 633 O SER A 41 9.119 -15.116 11.540 1.00 0.00 O ATOM 634 CB SER A 41 9.520 -12.248 10.431 1.00 0.00 C ATOM 635 OG SER A 41 10.739 -12.442 9.730 1.00 0.00 O ATOM 0 H SER A 41 7.316 -12.539 11.565 1.00 0.00 H new ATOM 0 HA SER A 41 8.327 -13.321 8.977 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.109 -11.266 10.198 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.701 -12.270 11.506 1.00 0.00 H new ATOM 0 HG SER A 41 11.315 -11.659 9.853 1.00 0.00 H new ATOM 641 N PRO A 42 9.704 -15.393 9.376 1.00 0.00 N ATOM 642 CA PRO A 42 10.561 -16.548 9.616 1.00 0.00 C ATOM 643 C PRO A 42 11.935 -16.205 10.227 1.00 0.00 C ATOM 644 O PRO A 42 12.621 -17.100 10.724 1.00 0.00 O ATOM 645 CB PRO A 42 10.719 -17.244 8.256 1.00 0.00 C ATOM 646 CG PRO A 42 9.564 -16.703 7.415 1.00 0.00 C ATOM 647 CD PRO A 42 9.383 -15.292 7.963 1.00 0.00 C ATOM 0 HA PRO A 42 10.096 -17.190 10.364 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.683 -17.014 7.802 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.664 -18.328 8.356 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.805 -16.697 6.352 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.661 -17.302 7.533 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.042 -14.585 7.458 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.363 -14.939 7.814 1.00 0.00 H new ATOM 655 N MET A 43 12.354 -14.931 10.175 1.00 0.00 N ATOM 656 CA MET A 43 13.691 -14.456 10.587 1.00 0.00 C ATOM 657 C MET A 43 13.669 -13.512 11.804 1.00 0.00 C ATOM 658 O MET A 43 14.663 -13.427 12.531 1.00 0.00 O ATOM 659 CB MET A 43 14.366 -13.760 9.398 1.00 0.00 C ATOM 660 CG MET A 43 14.759 -14.754 8.293 1.00 0.00 C ATOM 661 SD MET A 43 14.617 -14.098 6.610 1.00 0.00 S ATOM 662 CE MET A 43 12.809 -14.114 6.479 1.00 0.00 C ATOM 0 H MET A 43 11.756 -14.178 9.835 1.00 0.00 H new ATOM 0 HA MET A 43 14.256 -15.335 10.898 1.00 0.00 H new ATOM 0 HB2 MET A 43 13.691 -13.010 8.987 1.00 0.00 H new ATOM 0 HB3 MET A 43 15.255 -13.233 9.744 1.00 0.00 H new ATOM 0 HG2 MET A 43 15.787 -15.075 8.459 1.00 0.00 H new ATOM 0 HG3 MET A 43 14.131 -15.640 8.378 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.509 -14.770 5.662 1.00 0.00 H new ATOM 0 HE2 MET A 43 12.380 -14.477 7.413 1.00 0.00 H new ATOM 0 HE3 MET A 43 12.449 -13.104 6.283 1.00 0.00 H new ATOM 672 N PHE A 44 12.554 -12.814 12.037 1.00 0.00 N ATOM 673 CA PHE A 44 12.348 -11.857 13.133 1.00 0.00 C ATOM 674 C PHE A 44 11.293 -12.355 14.139 1.00 0.00 C ATOM 675 O PHE A 44 10.400 -13.136 13.808 1.00 0.00 O ATOM 676 CB PHE A 44 12.011 -10.477 12.541 1.00 0.00 C ATOM 677 CG PHE A 44 11.713 -9.400 13.568 1.00 0.00 C ATOM 678 CD1 PHE A 44 12.764 -8.806 14.293 1.00 0.00 C ATOM 679 CD2 PHE A 44 10.383 -9.013 13.824 1.00 0.00 C ATOM 680 CE1 PHE A 44 12.485 -7.831 15.269 1.00 0.00 C ATOM 681 CE2 PHE A 44 10.105 -8.035 14.795 1.00 0.00 C ATOM 682 CZ PHE A 44 11.155 -7.446 15.519 1.00 0.00 C ATOM 0 H PHE A 44 11.731 -12.903 11.441 1.00 0.00 H new ATOM 0 HA PHE A 44 13.269 -11.763 13.709 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.846 -10.149 11.923 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.148 -10.580 11.883 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.785 -9.099 14.100 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.574 -9.469 13.273 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.292 -7.378 15.826 1.00 0.00 H new ATOM 0 HE2 PHE A 44 9.084 -7.737 14.984 1.00 0.00 H new ATOM 0 HZ PHE A 44 10.941 -6.698 16.268 1.00 0.00 H new ATOM 692 N ASP A 45 11.390 -11.893 15.385 1.00 0.00 N ATOM 693 CA ASP A 45 10.570 -12.336 16.523 1.00 0.00 C ATOM 694 C ASP A 45 9.272 -11.508 16.662 1.00 0.00 C ATOM 695 O ASP A 45 9.017 -10.870 17.687 1.00 0.00 O ATOM 696 CB ASP A 45 11.445 -12.354 17.790 1.00 0.00 C ATOM 697 CG ASP A 45 10.733 -12.971 19.009 1.00 0.00 C ATOM 698 OD1 ASP A 45 10.012 -13.987 18.853 1.00 0.00 O ATOM 699 OD2 ASP A 45 10.932 -12.472 20.145 1.00 0.00 O ATOM 0 H ASP A 45 12.065 -11.174 15.644 1.00 0.00 H new ATOM 0 HA ASP A 45 10.217 -13.353 16.352 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.357 -12.916 17.587 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.746 -11.334 18.031 1.00 0.00 H new ATOM 704 N GLY A 46 8.468 -11.465 15.594 1.00 0.00 N ATOM 705 CA GLY A 46 7.263 -10.647 15.498 1.00 0.00 C ATOM 706 C GLY A 46 6.786 -10.471 14.056 1.00 0.00 C ATOM 707 O GLY A 46 7.069 -11.288 13.172 1.00 0.00 O ATOM 0 H GLY A 46 8.646 -12.014 14.753 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.469 -11.106 16.086 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.457 -9.667 15.935 1.00 0.00 H new ATOM 711 N LYS A 47 6.054 -9.380 13.826 1.00 0.00 N ATOM 712 CA LYS A 47 5.421 -9.024 12.550 1.00 0.00 C ATOM 713 C LYS A 47 6.290 -8.011 11.798 1.00 0.00 C ATOM 714 O LYS A 47 6.862 -7.107 12.411 1.00 0.00 O ATOM 715 CB LYS A 47 4.007 -8.477 12.824 1.00 0.00 C ATOM 716 CG LYS A 47 3.091 -9.441 13.610 1.00 0.00 C ATOM 717 CD LYS A 47 2.425 -10.553 12.790 1.00 0.00 C ATOM 718 CE LYS A 47 1.484 -10.092 11.667 1.00 0.00 C ATOM 719 NZ LYS A 47 0.352 -9.263 12.161 1.00 0.00 N ATOM 0 H LYS A 47 5.877 -8.688 14.554 1.00 0.00 H new ATOM 0 HA LYS A 47 5.329 -9.906 11.916 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.093 -7.543 13.380 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.532 -8.239 11.872 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.679 -9.904 14.403 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.309 -8.855 14.093 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.208 -11.171 12.350 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.861 -11.190 13.471 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.054 -9.520 10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.088 -10.966 11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.248 -8.982 11.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.212 -9.814 12.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.723 -8.413 12.630 1.00 0.00 H new ATOM 733 N VAL A 48 6.380 -8.155 10.478 1.00 0.00 N ATOM 734 CA VAL A 48 7.213 -7.330 9.585 1.00 0.00 C ATOM 735 C VAL A 48 6.412 -6.813 8.379 1.00 0.00 C ATOM 736 O VAL A 48 5.509 -7.516 7.912 1.00 0.00 O ATOM 737 CB VAL A 48 8.470 -8.090 9.107 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.406 -8.405 10.283 1.00 0.00 C ATOM 739 CG2 VAL A 48 8.159 -9.392 8.356 1.00 0.00 C ATOM 0 H VAL A 48 5.859 -8.874 9.976 1.00 0.00 H new ATOM 0 HA VAL A 48 7.540 -6.471 10.171 1.00 0.00 H new ATOM 0 HB VAL A 48 8.959 -7.416 8.403 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.282 -8.940 9.917 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.720 -7.475 10.757 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.881 -9.024 11.011 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.091 -9.868 8.052 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.603 -10.065 9.009 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.561 -9.168 7.472 1.00 0.00 H new ATOM 749 N PRO A 49 6.708 -5.603 7.861 1.00 0.00 N ATOM 750 CA PRO A 49 6.020 -5.045 6.700 1.00 0.00 C ATOM 751 C PRO A 49 6.615 -5.546 5.375 1.00 0.00 C ATOM 752 O PRO A 49 7.815 -5.419 5.122 1.00 0.00 O ATOM 753 CB PRO A 49 6.156 -3.525 6.838 1.00 0.00 C ATOM 754 CG PRO A 49 7.497 -3.360 7.555 1.00 0.00 C ATOM 755 CD PRO A 49 7.585 -4.597 8.452 1.00 0.00 C ATOM 0 HA PRO A 49 4.976 -5.358 6.675 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.155 -3.030 5.867 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.335 -3.098 7.414 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.326 -3.318 6.849 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.528 -2.440 8.138 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.610 -4.962 8.509 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.274 -4.361 9.470 1.00 0.00 H new ATOM 763 N HIS A 50 5.763 -6.071 4.493 1.00 0.00 N ATOM 764 CA HIS A 50 6.097 -6.385 3.099 1.00 0.00 C ATOM 765 C HIS A 50 5.664 -5.230 2.215 1.00 0.00 C ATOM 766 O HIS A 50 4.483 -5.125 1.902 1.00 0.00 O ATOM 767 CB HIS A 50 5.450 -7.718 2.679 1.00 0.00 C ATOM 768 CG HIS A 50 6.209 -8.933 3.152 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.279 -10.162 2.490 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.937 -9.012 4.301 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.040 -10.954 3.264 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.470 -10.281 4.346 1.00 0.00 N ATOM 0 H HIS A 50 4.797 -6.296 4.732 1.00 0.00 H new ATOM 0 HA HIS A 50 7.174 -6.511 2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.434 -7.759 3.072 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.373 -7.748 1.592 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.070 -8.231 5.035 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.274 -11.986 3.048 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.084 -10.647 5.074 1.00 0.00 H new ATOM 780 N TRP A 51 6.597 -4.347 1.857 1.00 0.00 N ATOM 781 CA TRP A 51 6.317 -3.159 1.051 1.00 0.00 C ATOM 782 C TRP A 51 6.181 -3.507 -0.439 1.00 0.00 C ATOM 783 O TRP A 51 6.850 -4.396 -0.958 1.00 0.00 O ATOM 784 CB TRP A 51 7.430 -2.124 1.245 1.00 0.00 C ATOM 785 CG TRP A 51 7.576 -1.585 2.633 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.484 -1.990 3.550 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.798 -0.532 3.279 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.325 -1.261 4.713 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.285 -0.362 4.609 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.718 0.286 2.879 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.722 0.558 5.504 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.139 1.209 3.773 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.637 1.344 5.082 1.00 0.00 C ATOM 0 H TRP A 51 7.578 -4.438 2.121 1.00 0.00 H new ATOM 0 HA TRP A 51 5.367 -2.743 1.386 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.377 -2.575 0.948 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.248 -1.290 0.568 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.221 -2.765 3.397 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.905 -1.374 5.545 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.331 0.203 1.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.117 0.661 6.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.307 1.817 3.451 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.185 2.051 5.762 1.00 0.00 H new ATOM 804 N TYR A 52 5.355 -2.762 -1.161 1.00 0.00 N ATOM 805 CA TYR A 52 5.297 -2.786 -2.619 1.00 0.00 C ATOM 806 C TYR A 52 4.953 -1.382 -3.144 1.00 0.00 C ATOM 807 O TYR A 52 4.406 -0.546 -2.413 1.00 0.00 O ATOM 808 CB TYR A 52 4.314 -3.850 -3.162 1.00 0.00 C ATOM 809 CG TYR A 52 3.985 -5.116 -2.371 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.285 -5.071 -1.144 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.276 -6.367 -2.951 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.939 -6.267 -0.477 1.00 0.00 C ATOM 813 CE2 TYR A 52 3.904 -7.560 -2.305 1.00 0.00 C ATOM 814 CZ TYR A 52 3.252 -7.516 -1.056 1.00 0.00 C ATOM 815 OH TYR A 52 2.934 -8.680 -0.427 1.00 0.00 O ATOM 0 H TYR A 52 4.692 -2.110 -0.742 1.00 0.00 H new ATOM 0 HA TYR A 52 6.281 -3.076 -2.987 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.369 -3.340 -3.350 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.700 -4.173 -4.129 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.013 -4.118 -0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.789 -6.410 -3.900 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.434 -6.226 0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.119 -8.512 -2.767 1.00 0.00 H new ATOM 0 HH TYR A 52 3.225 -9.438 -0.975 1.00 0.00 H new ATOM 825 N HIS A 53 5.234 -1.113 -4.424 1.00 0.00 N ATOM 826 CA HIS A 53 4.662 0.058 -5.115 1.00 0.00 C ATOM 827 C HIS A 53 3.124 0.022 -5.029 1.00 0.00 C ATOM 828 O HIS A 53 2.537 -1.060 -4.936 1.00 0.00 O ATOM 829 CB HIS A 53 5.102 0.104 -6.591 1.00 0.00 C ATOM 830 CG HIS A 53 6.596 0.094 -6.818 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.371 -0.947 -7.339 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.427 1.134 -6.510 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.638 -0.517 -7.325 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.705 0.724 -6.825 1.00 0.00 N ATOM 0 H HIS A 53 5.850 -1.684 -5.003 1.00 0.00 H new ATOM 0 HA HIS A 53 5.032 0.956 -4.620 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.666 -0.750 -7.110 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.687 1.002 -7.049 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.139 2.091 -6.100 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.487 -1.090 -7.668 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.556 1.272 -6.699 1.00 0.00 H new ATOM 842 N PHE A 54 2.455 1.180 -5.087 1.00 0.00 N ATOM 843 CA PHE A 54 0.991 1.244 -4.961 1.00 0.00 C ATOM 844 C PHE A 54 0.260 0.294 -5.929 1.00 0.00 C ATOM 845 O PHE A 54 -0.655 -0.412 -5.513 1.00 0.00 O ATOM 846 CB PHE A 54 0.502 2.681 -5.185 1.00 0.00 C ATOM 847 CG PHE A 54 -1.003 2.772 -5.384 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.884 2.490 -4.321 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.524 3.030 -6.667 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.272 2.443 -4.547 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.912 2.995 -6.885 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.786 2.697 -5.828 1.00 0.00 C ATOM 0 H PHE A 54 2.903 2.087 -5.220 1.00 0.00 H new ATOM 0 HA PHE A 54 0.753 0.918 -3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.788 3.294 -4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.004 3.098 -6.058 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.493 2.310 -3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.856 3.255 -7.485 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.943 2.211 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.307 3.198 -7.869 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.852 2.663 -6.000 1.00 0.00 H new ATOM 862 N SER A 55 0.674 0.235 -7.201 1.00 0.00 N ATOM 863 CA SER A 55 0.034 -0.610 -8.215 1.00 0.00 C ATOM 864 C SER A 55 0.381 -2.089 -8.028 1.00 0.00 C ATOM 865 O SER A 55 -0.470 -2.954 -8.239 1.00 0.00 O ATOM 866 CB SER A 55 0.404 -0.111 -9.616 1.00 0.00 C ATOM 867 OG SER A 55 1.811 -0.115 -9.806 1.00 0.00 O ATOM 0 H SER A 55 1.464 0.774 -7.556 1.00 0.00 H new ATOM 0 HA SER A 55 -1.047 -0.533 -8.095 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.069 -0.743 -10.367 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.018 0.898 -9.760 1.00 0.00 H new ATOM 0 HG SER A 55 2.030 0.351 -10.640 1.00 0.00 H new ATOM 873 N CYS A 56 1.606 -2.388 -7.583 1.00 0.00 N ATOM 874 CA CYS A 56 2.111 -3.738 -7.364 1.00 0.00 C ATOM 875 C CYS A 56 1.320 -4.529 -6.305 1.00 0.00 C ATOM 876 O CYS A 56 1.095 -5.726 -6.475 1.00 0.00 O ATOM 877 CB CYS A 56 3.592 -3.648 -7.004 1.00 0.00 C ATOM 878 SG CYS A 56 4.586 -3.111 -8.443 1.00 0.00 S ATOM 0 H CYS A 56 2.293 -1.668 -7.359 1.00 0.00 H new ATOM 0 HA CYS A 56 1.979 -4.301 -8.288 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.728 -2.946 -6.181 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.945 -4.619 -6.656 1.00 0.00 H new ATOM 0 HG CYS A 56 5.559 -2.350 -8.038 1.00 0.00 H new ATOM 883 N PHE A 57 0.834 -3.866 -5.254 1.00 0.00 N ATOM 884 CA PHE A 57 -0.077 -4.449 -4.263 1.00 0.00 C ATOM 885 C PHE A 57 -1.300 -5.113 -4.928 1.00 0.00 C ATOM 886 O PHE A 57 -1.672 -6.239 -4.592 1.00 0.00 O ATOM 887 CB PHE A 57 -0.505 -3.340 -3.298 1.00 0.00 C ATOM 888 CG PHE A 57 -1.500 -3.805 -2.257 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.864 -3.883 -2.590 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.069 -4.191 -0.974 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.796 -4.349 -1.653 1.00 0.00 C ATOM 892 CE2 PHE A 57 -2.009 -4.635 -0.028 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.370 -4.720 -0.369 1.00 0.00 C ATOM 0 H PHE A 57 1.066 -2.891 -5.063 1.00 0.00 H new ATOM 0 HA PHE A 57 0.439 -5.239 -3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.378 -2.944 -2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.942 -2.520 -3.868 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.195 -3.582 -3.573 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.021 -4.146 -0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.840 -4.422 -1.919 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.684 -4.912 0.964 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.088 -5.071 0.358 1.00 0.00 H new ATOM 903 N TRP A 58 -1.896 -4.449 -5.922 1.00 0.00 N ATOM 904 CA TRP A 58 -3.051 -4.962 -6.667 1.00 0.00 C ATOM 905 C TRP A 58 -2.651 -5.998 -7.732 1.00 0.00 C ATOM 906 O TRP A 58 -3.457 -6.870 -8.063 1.00 0.00 O ATOM 907 CB TRP A 58 -3.846 -3.786 -7.251 1.00 0.00 C ATOM 908 CG TRP A 58 -4.112 -2.681 -6.268 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.398 -1.539 -6.185 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.090 -2.609 -5.181 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.825 -0.787 -5.113 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.879 -1.389 -4.463 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.134 -3.445 -4.726 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.669 -1.014 -3.365 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.924 -3.082 -3.622 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.697 -1.869 -2.949 1.00 0.00 C ATOM 0 H TRP A 58 -1.587 -3.529 -6.236 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.698 -5.503 -5.977 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.300 -3.378 -8.102 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.798 -4.157 -7.631 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.606 -1.255 -6.862 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.412 0.104 -4.836 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.328 -4.378 -5.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.487 -0.082 -2.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.712 -3.740 -3.288 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.317 -1.596 -2.108 1.00 0.00 H new ATOM 927 N LYS A 59 -1.387 -5.996 -8.194 1.00 0.00 N ATOM 928 CA LYS A 59 -0.809 -7.065 -9.037 1.00 0.00 C ATOM 929 C LYS A 59 -0.610 -8.372 -8.256 1.00 0.00 C ATOM 930 O LYS A 59 -0.577 -9.439 -8.868 1.00 0.00 O ATOM 931 CB LYS A 59 0.521 -6.630 -9.678 1.00 0.00 C ATOM 932 CG LYS A 59 0.365 -5.440 -10.632 1.00 0.00 C ATOM 933 CD LYS A 59 1.730 -4.845 -11.021 1.00 0.00 C ATOM 934 CE LYS A 59 1.585 -3.324 -11.121 1.00 0.00 C ATOM 935 NZ LYS A 59 2.876 -2.623 -10.916 1.00 0.00 N ATOM 0 H LYS A 59 -0.728 -5.244 -7.991 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.532 -7.250 -9.831 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.228 -6.368 -8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.948 -7.472 -10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.163 -5.760 -11.530 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.247 -4.671 -10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.483 -5.106 -10.277 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.066 -5.257 -11.973 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.183 -3.063 -12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.865 -2.980 -10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.697 -1.663 -10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.451 -3.148 -10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.387 -2.565 -11.820 1.00 0.00 H new ATOM 949 N VAL A 60 -0.513 -8.317 -6.919 1.00 0.00 N ATOM 950 CA VAL A 60 -0.538 -9.524 -6.054 1.00 0.00 C ATOM 951 C VAL A 60 -1.954 -10.135 -5.967 1.00 0.00 C ATOM 952 O VAL A 60 -2.105 -11.309 -5.623 1.00 0.00 O ATOM 953 CB VAL A 60 0.057 -9.219 -4.659 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.092 -10.426 -3.711 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.507 -8.735 -4.760 1.00 0.00 C ATOM 0 H VAL A 60 -0.415 -7.443 -6.402 1.00 0.00 H new ATOM 0 HA VAL A 60 0.096 -10.280 -6.516 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.611 -8.456 -4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.523 -10.126 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.922 -10.793 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.700 -11.217 -4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.893 -8.530 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.116 -9.506 -5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.546 -7.824 -5.358 1.00 0.00 H new ATOM 965 N GLY A 61 -2.997 -9.386 -6.347 1.00 0.00 N ATOM 966 CA GLY A 61 -4.385 -9.865 -6.435 1.00 0.00 C ATOM 967 C GLY A 61 -5.224 -9.679 -5.163 1.00 0.00 C ATOM 968 O GLY A 61 -6.289 -10.290 -5.039 1.00 0.00 O ATOM 0 H GLY A 61 -2.898 -8.405 -6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.880 -9.346 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.371 -10.925 -6.690 1.00 0.00 H new ATOM 972 N HIS A 62 -4.769 -8.851 -4.215 1.00 0.00 N ATOM 973 CA HIS A 62 -5.533 -8.489 -3.010 1.00 0.00 C ATOM 974 C HIS A 62 -6.789 -7.665 -3.335 1.00 0.00 C ATOM 975 O HIS A 62 -6.827 -6.914 -4.313 1.00 0.00 O ATOM 976 CB HIS A 62 -4.637 -7.731 -2.021 1.00 0.00 C ATOM 977 CG HIS A 62 -3.586 -8.603 -1.383 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.820 -9.568 -0.398 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.256 -8.580 -1.677 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.619 -10.110 -0.128 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.668 -9.545 -0.890 1.00 0.00 N ATOM 0 H HIS A 62 -3.851 -8.408 -4.261 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.872 -9.419 -2.553 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.149 -6.907 -2.541 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -5.259 -7.292 -1.240 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.761 -7.933 -2.386 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.444 -10.889 0.599 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.678 -9.789 -0.886 1.00 0.00 H new ATOM 989 N SER A 63 -7.805 -7.781 -2.477 1.00 0.00 N ATOM 990 CA SER A 63 -9.043 -6.991 -2.514 1.00 0.00 C ATOM 991 C SER A 63 -9.450 -6.612 -1.093 1.00 0.00 C ATOM 992 O SER A 63 -9.492 -7.467 -0.205 1.00 0.00 O ATOM 993 CB SER A 63 -10.157 -7.783 -3.199 1.00 0.00 C ATOM 994 OG SER A 63 -11.305 -6.967 -3.358 1.00 0.00 O ATOM 0 H SER A 63 -7.790 -8.451 -1.708 1.00 0.00 H new ATOM 0 HA SER A 63 -8.871 -6.080 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.816 -8.139 -4.171 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.406 -8.663 -2.606 1.00 0.00 H new ATOM 0 HG SER A 63 -12.013 -7.481 -3.799 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.715 -5.326 -0.868 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.843 -4.708 0.457 1.00 0.00 C ATOM 1002 C ILE A 64 -11.303 -4.300 0.655 1.00 0.00 C ATOM 1003 O ILE A 64 -11.901 -3.651 -0.207 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.858 -3.524 0.588 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.427 -3.875 0.111 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.831 -3.028 2.038 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.400 -2.762 0.356 1.00 0.00 C ATOM 0 H ILE A 64 -9.852 -4.660 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.578 -5.410 1.247 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.219 -2.731 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.096 -4.780 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.455 -4.102 -0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.135 -2.194 2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.829 -2.700 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.510 -3.837 2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.423 -3.083 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.706 -1.861 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.341 -2.550 1.424 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.893 -4.733 1.772 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.355 -4.804 1.960 1.00 0.00 C ATOM 1021 C ARG A 65 -13.888 -3.767 2.956 1.00 0.00 C ATOM 1022 O ARG A 65 -15.075 -3.441 2.925 1.00 0.00 O ATOM 1023 CB ARG A 65 -13.802 -6.258 2.255 1.00 0.00 C ATOM 1024 CG ARG A 65 -12.923 -7.055 3.238 1.00 0.00 C ATOM 1025 CD ARG A 65 -11.708 -7.740 2.575 1.00 0.00 C ATOM 1026 NE ARG A 65 -10.544 -7.729 3.476 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.347 -8.242 3.290 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -8.960 -8.792 2.180 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -8.482 -8.159 4.251 1.00 0.00 N ATOM 0 H ARG A 65 -11.366 -5.050 2.586 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.824 -4.521 1.018 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.818 -6.231 2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.841 -6.802 1.311 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.568 -6.383 4.019 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.535 -7.814 3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.962 -8.768 2.314 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.459 -7.228 1.646 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.685 -7.258 4.369 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.599 -8.845 1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.017 -9.172 2.101 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.736 -7.703 5.128 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.547 -8.549 4.131 1.00 0.00 H new ATOM 1043 N HIS A 66 -13.007 -3.193 3.776 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.244 -1.985 4.578 1.00 0.00 C ATOM 1045 C HIS A 66 -11.946 -1.161 4.681 1.00 0.00 C ATOM 1046 O HIS A 66 -11.308 -1.120 5.733 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.943 -2.303 5.923 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.389 -3.379 6.841 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -12.850 -4.580 6.476 1.00 0.00 N flip ATOM 1050 CD2 HIS A 66 -13.502 -3.363 8.236 1.00 0.00 C flip ATOM 1051 CE1 HIS A 66 -12.588 -5.278 7.633 1.00 0.00 C flip ATOM 1052 NE2 HIS A 66 -12.991 -4.529 8.670 1.00 0.00 N flip ATOM 0 H HIS A 66 -12.069 -3.570 3.907 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.964 -1.343 4.071 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.976 -1.376 6.496 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.974 -2.574 5.694 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.917 -2.572 8.843 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.137 -6.257 7.695 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.920 -4.805 9.649 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.495 -0.533 3.574 1.00 0.00 N ATOM 1061 CA PRO A 67 -10.123 -0.038 3.438 1.00 0.00 C ATOM 1062 C PRO A 67 -9.728 1.071 4.417 1.00 0.00 C ATOM 1063 O PRO A 67 -8.588 1.085 4.870 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.981 0.420 1.977 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.421 0.677 1.543 1.00 0.00 C ATOM 1066 CD PRO A 67 -12.196 -0.390 2.305 1.00 0.00 C ATOM 0 HA PRO A 67 -9.434 -0.843 3.694 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.371 1.319 1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.506 -0.344 1.361 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.750 1.682 1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.543 0.574 0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.233 -0.090 2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.214 -1.332 1.756 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.643 1.948 4.827 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.357 2.973 5.842 1.00 0.00 C ATOM 1076 C ASP A 68 -10.198 2.394 7.265 1.00 0.00 C ATOM 1077 O ASP A 68 -9.754 3.098 8.176 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.376 4.117 5.752 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.827 3.644 5.880 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -13.346 3.548 7.016 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -13.450 3.381 4.822 1.00 0.00 O ATOM 0 H ASP A 68 -11.598 1.972 4.471 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.378 3.396 5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.167 4.844 6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.251 4.632 4.799 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.514 1.104 7.449 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.250 0.322 8.664 1.00 0.00 C ATOM 1088 C VAL A 69 -8.993 -0.549 8.510 1.00 0.00 C ATOM 1089 O VAL A 69 -8.164 -0.612 9.419 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.463 -0.564 9.029 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.303 -1.181 10.424 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.787 0.212 9.004 1.00 0.00 C ATOM 0 H VAL A 69 -10.979 0.555 6.726 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.079 1.033 9.473 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.493 -1.346 8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.172 -1.798 10.651 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.404 -1.797 10.448 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.219 -0.387 11.166 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.606 -0.457 9.268 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.742 1.031 9.722 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.954 0.614 8.005 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.833 -1.217 7.362 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.789 -2.238 7.138 1.00 0.00 C ATOM 1104 C GLU A 70 -6.448 -1.678 6.659 1.00 0.00 C ATOM 1105 O GLU A 70 -5.405 -2.247 6.980 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.276 -3.269 6.103 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.530 -4.031 6.534 1.00 0.00 C ATOM 1108 CD GLU A 70 -9.936 -5.078 5.485 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.430 -4.713 4.387 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.795 -6.290 5.772 1.00 0.00 O ATOM 0 H GLU A 70 -9.430 -1.066 6.549 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.617 -2.692 8.114 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.478 -2.758 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.476 -3.984 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.349 -4.522 7.490 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.350 -3.329 6.687 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.474 -0.579 5.905 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.298 0.132 5.397 1.00 0.00 C ATOM 1119 C VAL A 71 -4.870 1.164 6.429 1.00 0.00 C ATOM 1120 O VAL A 71 -5.366 2.288 6.501 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.549 0.729 4.012 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.210 1.193 3.467 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -6.086 -0.323 3.036 1.00 0.00 C ATOM 0 H VAL A 71 -7.350 -0.141 5.619 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.475 -0.569 5.254 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.276 1.535 4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.351 1.626 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.786 1.943 4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.531 0.343 3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.253 0.136 2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.361 -1.131 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.026 -0.724 3.414 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.906 0.760 7.240 1.00 0.00 N ATOM 1134 CA ASP A 72 -3.156 1.639 8.120 1.00 0.00 C ATOM 1135 C ASP A 72 -2.394 2.704 7.304 1.00 0.00 C ATOM 1136 O ASP A 72 -1.942 2.454 6.190 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.256 0.730 8.958 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.266 1.492 9.834 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -1.680 2.408 10.577 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -0.050 1.192 9.758 1.00 0.00 O ATOM 0 H ASP A 72 -3.616 -0.216 7.306 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.798 2.217 8.785 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.879 0.100 9.592 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.704 0.066 8.293 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.294 3.927 7.816 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.677 5.061 7.113 1.00 0.00 C ATOM 1147 C GLY A 73 -2.558 5.717 6.037 1.00 0.00 C ATOM 1148 O GLY A 73 -2.194 6.767 5.509 1.00 0.00 O ATOM 0 H GLY A 73 -2.642 4.168 8.744 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.403 5.818 7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.753 4.720 6.646 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.763 5.196 5.772 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.771 5.845 4.916 1.00 0.00 C ATOM 1154 C PHE A 74 -5.132 7.259 5.410 1.00 0.00 C ATOM 1155 O PHE A 74 -5.373 8.166 4.614 1.00 0.00 O ATOM 1156 CB PHE A 74 -6.004 4.932 4.876 1.00 0.00 C ATOM 1157 CG PHE A 74 -7.154 5.416 4.017 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -7.166 5.134 2.638 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -8.233 6.110 4.600 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.254 5.541 1.848 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.319 6.520 3.806 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.328 6.234 2.432 1.00 0.00 C ATOM 0 H PHE A 74 -4.072 4.300 6.150 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.366 5.980 3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.695 3.951 4.517 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.367 4.798 5.895 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.339 4.605 2.188 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.226 6.327 5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.265 5.321 0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.145 7.054 4.253 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.162 6.547 1.822 1.00 0.00 H new ATOM 1172 N SER A 75 -5.077 7.476 6.727 1.00 0.00 N ATOM 1173 CA SER A 75 -5.260 8.780 7.386 1.00 0.00 C ATOM 1174 C SER A 75 -4.106 9.774 7.150 1.00 0.00 C ATOM 1175 O SER A 75 -4.266 10.967 7.406 1.00 0.00 O ATOM 1176 CB SER A 75 -5.430 8.569 8.898 1.00 0.00 C ATOM 1177 OG SER A 75 -6.459 7.628 9.176 1.00 0.00 O ATOM 0 H SER A 75 -4.897 6.723 7.391 1.00 0.00 H new ATOM 0 HA SER A 75 -6.150 9.221 6.938 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.490 8.221 9.327 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.665 9.520 9.376 1.00 0.00 H new ATOM 0 HG SER A 75 -6.543 7.513 10.145 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.950 9.311 6.657 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.787 10.144 6.304 1.00 0.00 C ATOM 1185 C GLU A 76 -1.817 10.615 4.832 1.00 0.00 C ATOM 1186 O GLU A 76 -1.051 11.502 4.448 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.471 9.399 6.614 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.358 8.926 8.074 1.00 0.00 C ATOM 1189 CD GLU A 76 1.018 8.290 8.364 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.018 9.037 8.490 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.106 7.043 8.490 1.00 0.00 O ATOM 0 H GLU A 76 -2.791 8.318 6.487 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.840 11.041 6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.388 8.535 5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.370 10.055 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.516 9.771 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.145 8.202 8.284 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.713 10.052 4.008 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.957 10.468 2.622 1.00 0.00 C ATOM 1200 C LEU A 77 -3.832 11.733 2.534 1.00 0.00 C ATOM 1201 O LEU A 77 -4.635 12.016 3.430 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.638 9.329 1.844 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.861 8.011 1.708 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -3.723 7.051 0.884 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -1.514 8.181 1.009 1.00 0.00 C ATOM 0 H LEU A 77 -3.304 9.273 4.297 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.987 10.701 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.590 9.112 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.865 9.693 0.842 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.655 7.633 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.200 6.102 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.671 6.883 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.913 7.484 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.014 7.215 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.672 8.576 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.894 8.873 1.578 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.742 12.452 1.407 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.725 13.472 0.995 1.00 0.00 C ATOM 1219 C ARG A 78 -5.950 12.847 0.325 1.00 0.00 C ATOM 1220 O ARG A 78 -5.923 11.698 -0.122 1.00 0.00 O ATOM 1221 CB ARG A 78 -4.056 14.537 0.097 1.00 0.00 C ATOM 1222 CG ARG A 78 -3.396 15.658 0.916 1.00 0.00 C ATOM 1223 CD ARG A 78 -4.424 16.615 1.545 1.00 0.00 C ATOM 1224 NE ARG A 78 -5.092 17.456 0.529 1.00 0.00 N ATOM 1225 CZ ARG A 78 -6.130 18.253 0.719 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -6.703 18.383 1.882 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -6.619 18.942 -0.271 1.00 0.00 N ATOM 0 H ARG A 78 -2.975 12.342 0.744 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.088 13.971 1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.305 14.059 -0.532 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.803 14.968 -0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.786 15.216 1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.723 16.225 0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.173 16.037 2.087 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.926 17.254 2.274 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.713 17.417 -0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.353 17.860 2.685 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.502 19.008 1.990 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.201 18.869 -1.199 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.420 19.555 -0.119 1.00 0.00 H new ATOM 1241 N TRP A 79 -7.023 13.634 0.238 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.339 13.206 -0.254 1.00 0.00 C ATOM 1243 C TRP A 79 -8.291 12.540 -1.645 1.00 0.00 C ATOM 1244 O TRP A 79 -8.996 11.558 -1.875 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.314 14.398 -0.202 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.238 14.555 -1.372 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.462 14.000 -1.515 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -9.986 15.288 -2.608 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -11.982 14.340 -2.751 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.113 15.134 -3.469 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.901 16.049 -3.090 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.165 15.718 -4.744 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -8.938 16.635 -4.370 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.066 16.473 -5.196 1.00 0.00 C ATOM 0 H TRP A 79 -7.003 14.615 0.515 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.704 12.420 0.407 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.918 14.306 0.701 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.730 15.313 -0.103 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.958 13.386 -0.778 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.896 14.040 -3.090 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.028 16.184 -2.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.036 15.590 -5.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.095 17.213 -4.720 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.088 16.927 -6.176 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.428 13.012 -2.551 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.332 12.477 -3.916 1.00 0.00 C ATOM 1267 C ASP A 80 -6.714 11.065 -3.982 1.00 0.00 C ATOM 1268 O ASP A 80 -7.057 10.271 -4.857 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.573 13.452 -4.822 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.682 13.031 -6.299 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -7.819 12.812 -6.783 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.632 12.936 -6.980 1.00 0.00 O ATOM 0 H ASP A 80 -6.777 13.774 -2.361 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.354 12.372 -4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.974 14.458 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.524 13.487 -4.527 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.821 10.724 -3.051 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.260 9.381 -2.916 1.00 0.00 C ATOM 1279 C ASP A 81 -6.161 8.491 -2.063 1.00 0.00 C ATOM 1280 O ASP A 81 -6.315 7.322 -2.390 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.827 9.452 -2.388 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.902 10.041 -3.457 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.745 9.396 -4.520 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.348 11.143 -3.237 1.00 0.00 O ATOM 0 H ASP A 81 -5.463 11.384 -2.360 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.216 8.917 -3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.793 10.066 -1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.484 8.456 -2.108 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.855 9.032 -1.056 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.909 8.307 -0.343 1.00 0.00 C ATOM 1291 C GLN A 82 -9.008 7.824 -1.301 1.00 0.00 C ATOM 1292 O GLN A 82 -9.311 6.631 -1.329 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.499 9.185 0.771 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.531 9.311 1.953 1.00 0.00 C ATOM 1295 CD GLN A 82 -8.067 10.174 3.095 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -9.002 10.954 2.962 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.480 10.080 4.268 1.00 0.00 N ATOM 0 H GLN A 82 -6.702 9.981 -0.714 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.462 7.422 0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.724 10.175 0.375 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.441 8.757 1.114 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.307 8.315 2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.592 9.735 1.599 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.700 9.436 4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.805 10.651 5.048 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.553 8.702 -2.151 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.597 8.316 -3.110 1.00 0.00 C ATOM 1308 C GLN A 83 -10.091 7.359 -4.203 1.00 0.00 C ATOM 1309 O GLN A 83 -10.872 6.548 -4.697 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.313 9.554 -3.685 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.497 10.365 -4.705 1.00 0.00 C ATOM 1312 CD GLN A 83 -11.193 11.653 -5.160 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -12.357 11.915 -4.879 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -10.527 12.512 -5.905 1.00 0.00 N ATOM 0 H GLN A 83 -9.289 9.686 -2.195 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.339 7.743 -2.554 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.240 9.231 -4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.589 10.210 -2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.532 10.618 -4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.298 9.742 -5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.557 12.324 -6.157 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.982 13.365 -6.230 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.796 7.389 -4.555 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.180 6.515 -5.557 1.00 0.00 C ATOM 1325 C LYS A 84 -7.805 5.159 -4.960 1.00 0.00 C ATOM 1326 O LYS A 84 -8.026 4.147 -5.615 1.00 0.00 O ATOM 1327 CB LYS A 84 -6.999 7.271 -6.184 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.237 6.458 -7.241 1.00 0.00 C ATOM 1329 CD LYS A 84 -4.837 6.057 -6.750 1.00 0.00 C ATOM 1330 CE LYS A 84 -3.732 7.001 -7.251 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.877 8.413 -6.807 1.00 0.00 N ATOM 0 H LYS A 84 -8.133 8.041 -4.137 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.888 6.275 -6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.368 8.189 -6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.306 7.564 -5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.806 5.562 -7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.148 7.044 -8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.830 6.044 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.618 5.042 -7.082 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.768 6.624 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.717 6.976 -8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.245 9.020 -7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.861 8.720 -6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.626 8.488 -5.801 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.347 5.100 -3.708 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.151 3.830 -2.977 1.00 0.00 C ATOM 1347 C VAL A 85 -8.501 3.142 -2.752 1.00 0.00 C ATOM 1348 O VAL A 85 -8.624 1.951 -3.033 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.401 4.049 -1.642 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.335 2.790 -0.759 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.948 4.492 -1.864 1.00 0.00 C ATOM 0 H VAL A 85 -7.099 5.927 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.525 3.178 -3.587 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.983 4.823 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.795 3.018 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.346 2.464 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.817 1.995 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.460 4.634 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.417 3.727 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.934 5.430 -2.419 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.548 3.879 -2.345 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.904 3.316 -2.187 1.00 0.00 C ATOM 1363 C LYS A 86 -11.551 2.939 -3.526 1.00 0.00 C ATOM 1364 O LYS A 86 -12.155 1.869 -3.606 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.797 4.238 -1.336 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.289 4.299 0.118 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.266 4.907 1.139 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.554 4.091 1.241 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.374 4.466 2.423 1.00 0.00 N ATOM 0 H LYS A 86 -9.483 4.871 -2.118 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.798 2.378 -1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.807 5.240 -1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.824 3.874 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.039 3.288 0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.365 4.877 0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.787 4.956 2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.505 5.930 0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.143 4.233 0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.305 3.031 1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.334 4.081 2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.939 4.078 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.423 5.502 2.497 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.342 3.713 -4.602 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.717 3.302 -5.974 1.00 0.00 C ATOM 1385 C LYS A 87 -11.008 2.012 -6.356 1.00 0.00 C ATOM 1386 O LYS A 87 -11.649 1.085 -6.831 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.433 4.426 -6.994 1.00 0.00 C ATOM 1388 CG LYS A 87 -11.805 4.085 -8.455 1.00 0.00 C ATOM 1389 CD LYS A 87 -10.687 3.414 -9.282 1.00 0.00 C ATOM 1390 CE LYS A 87 -11.197 3.096 -10.695 1.00 0.00 C ATOM 1391 NZ LYS A 87 -10.179 2.382 -11.514 1.00 0.00 N ATOM 0 H LYS A 87 -10.912 4.636 -4.552 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.791 3.115 -5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.982 5.318 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.373 4.675 -6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.673 3.426 -8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.106 5.003 -8.960 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.820 4.073 -9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.359 2.498 -8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.098 2.486 -10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.478 4.023 -11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.600 2.099 -12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.370 3.012 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.854 1.536 -11.004 1.00 0.00 H new ATOM 1405 N THR A 88 -9.702 1.924 -6.121 1.00 0.00 N ATOM 1406 CA THR A 88 -8.884 0.767 -6.506 1.00 0.00 C ATOM 1407 C THR A 88 -9.232 -0.490 -5.699 1.00 0.00 C ATOM 1408 O THR A 88 -9.220 -1.588 -6.254 1.00 0.00 O ATOM 1409 CB THR A 88 -7.392 1.115 -6.457 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.157 2.235 -7.281 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.545 0.007 -7.055 1.00 0.00 C ATOM 0 H THR A 88 -9.172 2.659 -5.653 1.00 0.00 H new ATOM 0 HA THR A 88 -9.123 0.521 -7.541 1.00 0.00 H new ATOM 0 HB THR A 88 -7.135 1.284 -5.411 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.183 3.051 -6.739 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.493 0.286 -7.004 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.703 -0.915 -6.495 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.830 -0.147 -8.096 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.655 -0.342 -4.441 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.166 -1.424 -3.607 1.00 0.00 C ATOM 1421 C ALA A 89 -11.516 -1.950 -4.120 1.00 0.00 C ATOM 1422 O ALA A 89 -11.757 -3.157 -4.107 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.273 -0.908 -2.170 1.00 0.00 C ATOM 0 H ALA A 89 -9.650 0.560 -3.965 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.480 -2.270 -3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.654 -1.701 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.288 -0.598 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.953 -0.057 -2.139 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.373 -1.060 -4.636 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.638 -1.439 -5.272 1.00 0.00 C ATOM 1431 C GLU A 90 -13.444 -2.027 -6.687 1.00 0.00 C ATOM 1432 O GLU A 90 -14.181 -2.925 -7.101 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.584 -0.225 -5.327 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.152 0.186 -3.961 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.247 -0.789 -3.483 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -17.432 -0.602 -3.851 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -15.936 -1.745 -2.732 1.00 0.00 O ATOM 0 H GLU A 90 -12.207 -0.054 -4.623 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.080 -2.226 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.048 0.622 -5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.411 -0.452 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.347 0.218 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -15.564 1.193 -4.026 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.446 -1.531 -7.423 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.159 -1.864 -8.817 1.00 0.00 C ATOM 1446 C ALA A 91 -11.305 -3.138 -8.999 1.00 0.00 C ATOM 1447 O ALA A 91 -11.381 -3.788 -10.043 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.458 -0.643 -9.434 1.00 0.00 C ATOM 0 H ALA A 91 -11.785 -0.853 -7.043 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.099 -2.092 -9.320 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.224 -0.847 -10.479 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.116 0.224 -9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.536 -0.439 -8.889 1.00 0.00 H new ATOM 1454 N GLY A 92 -10.458 -3.472 -8.018 1.00 0.00 N ATOM 1455 CA GLY A 92 -9.401 -4.487 -8.145 1.00 0.00 C ATOM 1456 C GLY A 92 -8.236 -4.064 -9.060 1.00 0.00 C ATOM 1457 O GLY A 92 -7.417 -4.903 -9.441 1.00 0.00 O ATOM 0 H GLY A 92 -10.487 -3.037 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.008 -4.714 -7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.839 -5.407 -8.532 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.168 -2.783 -9.439 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.199 -2.219 -10.378 1.00 0.00 C ATOM 1463 C GLY A 93 -7.469 -0.734 -10.649 1.00 0.00 C ATOM 1464 O GLY A 93 -8.614 -0.304 -10.809 1.00 0.00 O ATOM 0 H GLY A 93 -8.817 -2.082 -9.082 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.192 -2.339 -9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.237 -2.773 -11.316 1.00 0.00 H new