USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 472 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 25 HIS : no HD1:sc= 0.12 K(o=-5.7,f=-7) USER MOD Set 1.2: A 27 ASN : amide:sc= -3.08! C(o=-5.7!,f=-6.9!) USER MOD Set 1.3: A 39 ASN : amide:sc= -2.06! C(o=-5.7!,f=-5.5!) USER MOD Set 1.4: A 42 THR OG1 : rot -140:sc= -0.646 USER MOD Set 2.1: A 16 GLN : amide:sc=-0.000283 K(o=-2,f=-2.9) USER MOD Set 2.2: A 17 TYR OH : rot -179:sc= -1.98! USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -105:sc= 1.27 USER MOD Single : A 11 THR OG1 : rot 140:sc= 0.00394 USER MOD Single : A 13 ASN : amide:sc= -0.829 K(o=-0.83,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -135:sc= -0.0973 (180deg=-0.598) USER MOD Single : A 35 SER OG : rot -5:sc= 1.11 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -92:sc= -0.296 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= 1.2 (180deg=0.182) USER MOD Single : A 52 HIS : no HE2:sc= 0.984 K(o=0.98,f=-5.9!) USER MOD Single : A 53 ASN : amide:sc= -0.716 K(o=-0.72,f=-0.024) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 59 ASN : amide:sc= -0.0125 K(o=-0.012,f=-4.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 8.200 -5.171 10.628 1.00 0.00 N ATOM 2 CA PRO A 1 7.465 -6.303 10.099 1.00 0.00 C ATOM 3 C PRO A 1 6.049 -6.266 10.633 1.00 0.00 C ATOM 4 O PRO A 1 5.704 -5.367 11.403 1.00 0.00 O ATOM 5 CB PRO A 1 8.157 -7.582 10.532 1.00 0.00 C ATOM 6 CG PRO A 1 9.476 -7.111 11.042 1.00 0.00 C ATOM 7 CD PRO A 1 9.290 -5.662 11.470 1.00 0.00 C ATOM 0 H2 PRO A 1 7.579 -4.570 11.170 1.00 0.00 H new ATOM 0 H3 PRO A 1 8.572 -4.605 9.865 1.00 0.00 H new ATOM 0 HA PRO A 1 7.435 -6.262 9.010 1.00 0.00 H new ATOM 0 HB2 PRO A 1 7.591 -8.102 11.305 1.00 0.00 H new ATOM 0 HB3 PRO A 1 8.274 -8.276 9.700 1.00 0.00 H new ATOM 0 HG2 PRO A 1 9.807 -7.723 11.881 1.00 0.00 H new ATOM 0 HG3 PRO A 1 10.240 -7.191 10.269 1.00 0.00 H new ATOM 0 HD2 PRO A 1 9.038 -5.589 12.528 1.00 0.00 H new ATOM 0 HD3 PRO A 1 10.201 -5.083 11.319 1.00 0.00 H new ATOM 17 N GLN A 2 5.244 -7.230 10.238 1.00 0.00 N ATOM 18 CA GLN A 2 3.869 -7.308 10.671 1.00 0.00 C ATOM 19 C GLN A 2 3.796 -7.697 12.144 1.00 0.00 C ATOM 20 O GLN A 2 4.347 -8.720 12.551 1.00 0.00 O ATOM 21 CB GLN A 2 3.102 -8.326 9.818 1.00 0.00 C ATOM 22 CG GLN A 2 1.624 -8.455 10.165 1.00 0.00 C ATOM 23 CD GLN A 2 0.912 -9.504 9.332 1.00 0.00 C ATOM 24 OE1 GLN A 2 1.279 -9.775 8.176 1.00 0.00 O ATOM 25 NE2 GLN A 2 -0.116 -10.091 9.888 1.00 0.00 N ATOM 0 H GLN A 2 5.527 -7.980 9.608 1.00 0.00 H new ATOM 0 HA GLN A 2 3.410 -6.327 10.547 1.00 0.00 H new ATOM 0 HB2 GLN A 2 3.193 -8.044 8.769 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.574 -9.302 9.927 1.00 0.00 H new ATOM 0 HG2 GLN A 2 1.524 -8.707 11.221 1.00 0.00 H new ATOM 0 HG3 GLN A 2 1.136 -7.491 10.020 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.391 -9.845 10.839 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.643 -10.795 9.371 1.00 0.00 H new ATOM 34 N PHE A 3 3.138 -6.874 12.929 1.00 0.00 N ATOM 35 CA PHE A 3 2.929 -7.170 14.356 1.00 0.00 C ATOM 36 C PHE A 3 1.476 -6.985 14.709 1.00 0.00 C ATOM 37 O PHE A 3 0.847 -7.880 15.272 1.00 0.00 O ATOM 38 CB PHE A 3 3.829 -6.339 15.316 1.00 0.00 C ATOM 39 CG PHE A 3 5.305 -6.556 15.131 1.00 0.00 C ATOM 40 CD1 PHE A 3 5.871 -7.799 15.375 1.00 0.00 C ATOM 41 CD2 PHE A 3 6.127 -5.518 14.735 1.00 0.00 C ATOM 42 CE1 PHE A 3 7.226 -8.001 15.221 1.00 0.00 C ATOM 43 CE2 PHE A 3 7.484 -5.715 14.580 1.00 0.00 C ATOM 44 CZ PHE A 3 8.034 -6.957 14.823 1.00 0.00 C ATOM 0 H PHE A 3 2.733 -5.991 12.618 1.00 0.00 H new ATOM 0 HA PHE A 3 3.225 -8.209 14.499 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.610 -5.281 15.174 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.565 -6.584 16.345 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.242 -8.619 15.690 1.00 0.00 H new ATOM 0 HD2 PHE A 3 5.703 -4.543 14.545 1.00 0.00 H new ATOM 0 HE1 PHE A 3 7.653 -8.974 15.412 1.00 0.00 H new ATOM 0 HE2 PHE A 3 8.116 -4.897 14.268 1.00 0.00 H new ATOM 0 HZ PHE A 3 9.096 -7.111 14.702 1.00 0.00 H new ATOM 54 N GLY A 4 0.933 -5.840 14.342 1.00 0.00 N ATOM 55 CA GLY A 4 -0.456 -5.585 14.611 1.00 0.00 C ATOM 56 C GLY A 4 -0.678 -4.404 15.527 1.00 0.00 C ATOM 57 O GLY A 4 -1.514 -4.459 16.431 1.00 0.00 O ATOM 0 H GLY A 4 1.429 -5.087 13.865 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.975 -5.409 13.669 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.902 -6.473 15.059 1.00 0.00 H new ATOM 61 N LEU A 5 0.044 -3.325 15.294 1.00 0.00 N ATOM 62 CA LEU A 5 -0.090 -2.139 16.142 1.00 0.00 C ATOM 63 C LEU A 5 -1.088 -1.148 15.518 1.00 0.00 C ATOM 64 O LEU A 5 -2.158 -0.902 16.060 1.00 0.00 O ATOM 65 CB LEU A 5 1.305 -1.465 16.507 1.00 0.00 C ATOM 66 CG LEU A 5 2.100 -0.830 15.370 1.00 0.00 C ATOM 67 CD1 LEU A 5 3.203 0.047 15.919 1.00 0.00 C ATOM 68 CD2 LEU A 5 2.688 -1.858 14.412 1.00 0.00 C ATOM 0 H LEU A 5 0.722 -3.237 14.537 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.495 -2.465 17.100 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.121 -0.697 17.258 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.933 -2.224 16.974 1.00 0.00 H new ATOM 0 HG LEU A 5 1.395 -0.224 14.801 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.759 0.491 15.094 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.769 0.837 16.531 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.877 -0.555 16.528 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.242 -1.347 13.625 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.360 -2.521 14.957 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.883 -2.443 13.968 1.00 0.00 H new ATOM 80 N PHE A 6 -0.753 -0.672 14.360 1.00 0.00 N ATOM 81 CA PHE A 6 -1.543 0.263 13.574 1.00 0.00 C ATOM 82 C PHE A 6 -1.301 -0.207 12.190 1.00 0.00 C ATOM 83 O PHE A 6 -2.212 -0.371 11.361 1.00 0.00 O ATOM 84 CB PHE A 6 -1.040 1.715 13.729 1.00 0.00 C ATOM 85 CG PHE A 6 -0.982 2.211 15.149 1.00 0.00 C ATOM 86 CD1 PHE A 6 -2.144 2.442 15.865 1.00 0.00 C ATOM 87 CD2 PHE A 6 0.238 2.434 15.767 1.00 0.00 C ATOM 88 CE1 PHE A 6 -2.090 2.886 17.170 1.00 0.00 C ATOM 89 CE2 PHE A 6 0.299 2.879 17.074 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.866 3.105 17.776 1.00 0.00 C ATOM 0 H PHE A 6 0.121 -0.930 13.902 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.591 0.283 13.872 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.044 1.789 13.291 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.691 2.374 13.154 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.103 2.273 15.397 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.153 2.258 15.220 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.003 3.063 17.719 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.256 3.049 17.544 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.823 3.453 18.798 1.00 0.00 H new ATOM 100 N SER A 7 -0.028 -0.439 11.949 1.00 0.00 N ATOM 101 CA SER A 7 0.397 -1.180 10.838 1.00 0.00 C ATOM 102 C SER A 7 0.082 -2.636 11.195 1.00 0.00 C ATOM 103 O SER A 7 0.770 -3.266 12.026 1.00 0.00 O ATOM 104 CB SER A 7 1.890 -0.964 10.651 1.00 0.00 C ATOM 105 OG SER A 7 2.180 0.430 10.717 1.00 0.00 O ATOM 0 H SER A 7 0.731 -0.103 12.542 1.00 0.00 H new ATOM 0 HA SER A 7 -0.091 -0.892 9.907 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.445 -1.499 11.422 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.209 -1.368 9.690 1.00 0.00 H new ATOM 0 HG SER A 7 3.143 0.570 10.598 1.00 0.00 H new ATOM 111 N LYS A 8 -1.030 -3.088 10.708 1.00 0.00 N ATOM 112 CA LYS A 8 -1.527 -4.398 10.965 1.00 0.00 C ATOM 113 C LYS A 8 -1.994 -4.942 9.662 1.00 0.00 C ATOM 114 O LYS A 8 -2.210 -4.155 8.733 1.00 0.00 O ATOM 115 CB LYS A 8 -2.641 -4.357 12.053 1.00 0.00 C ATOM 116 CG LYS A 8 -3.899 -3.551 11.707 1.00 0.00 C ATOM 117 CD LYS A 8 -4.955 -4.357 10.942 1.00 0.00 C ATOM 118 CE LYS A 8 -5.529 -5.472 11.803 1.00 0.00 C ATOM 119 NZ LYS A 8 -6.612 -6.211 11.122 1.00 0.00 N ATOM 0 H LYS A 8 -1.635 -2.535 10.101 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.757 -5.055 11.370 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.941 -5.381 12.274 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.212 -3.946 12.967 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.341 -3.171 12.628 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.613 -2.685 11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.758 -3.694 10.619 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.510 -4.782 10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.733 -6.166 12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.910 -5.049 12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.969 -6.959 11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.386 -5.556 10.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.244 -6.638 10.248 1.00 0.00 H new ATOM 133 N TYR A 9 -2.168 -6.247 9.592 1.00 0.00 N ATOM 134 CA TYR A 9 -2.434 -6.956 8.360 1.00 0.00 C ATOM 135 C TYR A 9 -1.182 -6.752 7.491 1.00 0.00 C ATOM 136 O TYR A 9 -0.083 -6.509 8.023 1.00 0.00 O ATOM 137 CB TYR A 9 -3.744 -6.433 7.666 1.00 0.00 C ATOM 138 CG TYR A 9 -4.297 -7.353 6.587 1.00 0.00 C ATOM 139 CD1 TYR A 9 -3.775 -8.618 6.418 1.00 0.00 C ATOM 140 CD2 TYR A 9 -5.358 -6.973 5.773 1.00 0.00 C ATOM 141 CE1 TYR A 9 -4.268 -9.477 5.495 1.00 0.00 C ATOM 142 CE2 TYR A 9 -5.865 -7.835 4.821 1.00 0.00 C ATOM 143 CZ TYR A 9 -5.314 -9.092 4.689 1.00 0.00 C ATOM 144 OH TYR A 9 -5.814 -9.968 3.750 1.00 0.00 O ATOM 0 H TYR A 9 -2.127 -6.856 10.409 1.00 0.00 H new ATOM 0 HA TYR A 9 -2.617 -8.017 8.532 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.510 -6.286 8.428 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.542 -5.457 7.225 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.950 -8.932 7.039 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.791 -5.990 5.887 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.840 -10.463 5.392 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.684 -7.528 4.187 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.510 -9.700 2.858 1.00 0.00 H new ATOM 154 N ARG A 10 -1.305 -6.838 6.229 1.00 0.00 N ATOM 155 CA ARG A 10 -0.199 -6.641 5.412 1.00 0.00 C ATOM 156 C ARG A 10 -0.117 -5.223 4.953 1.00 0.00 C ATOM 157 O ARG A 10 -0.820 -4.803 4.061 1.00 0.00 O ATOM 158 CB ARG A 10 -0.124 -7.613 4.262 1.00 0.00 C ATOM 159 CG ARG A 10 0.965 -8.645 4.459 1.00 0.00 C ATOM 160 CD ARG A 10 2.345 -7.991 4.417 1.00 0.00 C ATOM 161 NE ARG A 10 2.883 -7.849 3.048 1.00 0.00 N ATOM 162 CZ ARG A 10 2.779 -6.782 2.219 1.00 0.00 C ATOM 163 NH1 ARG A 10 1.971 -5.748 2.507 1.00 0.00 N ATOM 164 NH2 ARG A 10 3.449 -6.784 1.076 1.00 0.00 N ATOM 0 H ARG A 10 -2.176 -7.047 5.741 1.00 0.00 H new ATOM 0 HA ARG A 10 0.679 -6.848 6.024 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.084 -8.117 4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.058 -7.066 3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.826 -9.150 5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.895 -9.407 3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.287 -7.006 4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.039 -8.584 5.013 1.00 0.00 H new ATOM 0 HE ARG A 10 3.395 -8.652 2.682 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.419 -5.755 3.365 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.909 -4.956 1.868 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.034 -7.582 0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.380 -5.987 0.443 1.00 0.00 H new ATOM 178 N THR A 11 0.721 -4.492 5.565 1.00 0.00 N ATOM 179 CA THR A 11 0.892 -3.125 5.228 1.00 0.00 C ATOM 180 C THR A 11 2.024 -2.929 4.247 1.00 0.00 C ATOM 181 O THR A 11 3.084 -3.551 4.362 1.00 0.00 O ATOM 182 CB THR A 11 1.094 -2.247 6.469 1.00 0.00 C ATOM 183 OG1 THR A 11 2.090 -2.828 7.326 1.00 0.00 O ATOM 184 CG2 THR A 11 -0.194 -2.052 7.233 1.00 0.00 C ATOM 0 H THR A 11 1.319 -4.820 6.324 1.00 0.00 H new ATOM 0 HA THR A 11 -0.032 -2.807 4.745 1.00 0.00 H new ATOM 0 HB THR A 11 1.431 -1.267 6.130 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.661 -2.120 7.691 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.008 -1.425 8.105 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.930 -1.570 6.589 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.575 -3.020 7.557 1.00 0.00 H new ATOM 192 N PRO A 12 1.808 -2.105 3.247 1.00 0.00 N ATOM 193 CA PRO A 12 2.822 -1.799 2.285 1.00 0.00 C ATOM 194 C PRO A 12 3.848 -0.847 2.883 1.00 0.00 C ATOM 195 O PRO A 12 3.545 0.315 3.182 1.00 0.00 O ATOM 196 CB PRO A 12 2.056 -1.145 1.143 1.00 0.00 C ATOM 197 CG PRO A 12 0.856 -0.539 1.790 1.00 0.00 C ATOM 198 CD PRO A 12 0.547 -1.376 2.991 1.00 0.00 C ATOM 0 HA PRO A 12 3.382 -2.675 1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.661 -0.389 0.643 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.771 -1.877 0.387 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.052 0.494 2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.011 -0.523 1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.260 -0.761 3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.279 -2.061 2.800 1.00 0.00 H new ATOM 206 N ASN A 13 5.033 -1.354 3.119 1.00 0.00 N ATOM 207 CA ASN A 13 6.099 -0.533 3.652 1.00 0.00 C ATOM 208 C ASN A 13 6.563 0.341 2.530 1.00 0.00 C ATOM 209 O ASN A 13 7.240 -0.123 1.605 1.00 0.00 O ATOM 210 CB ASN A 13 7.280 -1.373 4.204 1.00 0.00 C ATOM 211 CG ASN A 13 6.970 -2.257 5.457 1.00 0.00 C ATOM 212 OD1 ASN A 13 7.857 -2.464 6.280 1.00 0.00 O ATOM 213 ND2 ASN A 13 5.748 -2.811 5.613 1.00 0.00 N ATOM 0 H ASN A 13 5.286 -2.328 2.952 1.00 0.00 H new ATOM 0 HA ASN A 13 5.728 0.048 4.496 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.641 -2.023 3.407 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.095 -0.695 4.456 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.557 -3.406 6.419 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.016 -2.634 4.925 1.00 0.00 H new ATOM 220 N CYS A 14 6.157 1.584 2.561 1.00 0.00 N ATOM 221 CA CYS A 14 6.435 2.487 1.479 1.00 0.00 C ATOM 222 C CYS A 14 7.864 3.004 1.514 1.00 0.00 C ATOM 223 O CYS A 14 8.136 4.139 1.871 1.00 0.00 O ATOM 224 CB CYS A 14 5.416 3.628 1.402 1.00 0.00 C ATOM 225 SG CYS A 14 5.581 4.663 -0.084 1.00 0.00 S ATOM 0 H CYS A 14 5.629 1.994 3.331 1.00 0.00 H new ATOM 0 HA CYS A 14 6.332 1.909 0.560 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.411 3.207 1.430 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.523 4.258 2.285 1.00 0.00 H new ATOM 230 N SER A 15 8.766 2.107 1.246 1.00 0.00 N ATOM 231 CA SER A 15 10.161 2.404 1.089 1.00 0.00 C ATOM 232 C SER A 15 10.615 1.756 -0.213 1.00 0.00 C ATOM 233 O SER A 15 11.788 1.743 -0.560 1.00 0.00 O ATOM 234 CB SER A 15 10.924 1.815 2.274 1.00 0.00 C ATOM 235 OG SER A 15 10.343 2.252 3.494 1.00 0.00 O ATOM 0 H SER A 15 8.546 1.118 1.127 1.00 0.00 H new ATOM 0 HA SER A 15 10.345 3.478 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.906 0.726 2.223 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.970 2.119 2.231 1.00 0.00 H new ATOM 0 HG SER A 15 10.838 1.868 4.248 1.00 0.00 H new ATOM 241 N GLN A 16 9.633 1.283 -0.962 1.00 0.00 N ATOM 242 CA GLN A 16 9.856 0.510 -2.180 1.00 0.00 C ATOM 243 C GLN A 16 9.464 1.332 -3.382 1.00 0.00 C ATOM 244 O GLN A 16 9.200 0.829 -4.485 1.00 0.00 O ATOM 245 CB GLN A 16 9.092 -0.812 -2.093 1.00 0.00 C ATOM 246 CG GLN A 16 7.536 -0.627 -1.884 1.00 0.00 C ATOM 247 CD GLN A 16 6.813 -1.959 -1.584 1.00 0.00 C ATOM 248 OE1 GLN A 16 7.407 -2.865 -1.003 1.00 0.00 O ATOM 249 NE2 GLN A 16 5.533 -2.095 -1.938 1.00 0.00 N ATOM 0 H GLN A 16 8.647 1.424 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 16 10.913 0.266 -2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.263 -1.382 -3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.494 -1.402 -1.269 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.364 0.068 -1.062 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.104 -0.177 -2.778 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.053 -1.334 -2.420 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.035 -2.960 -1.727 1.00 0.00 H new ATOM 258 N TYR A 17 9.505 2.584 -3.143 1.00 0.00 N ATOM 259 CA TYR A 17 9.183 3.627 -4.083 1.00 0.00 C ATOM 260 C TYR A 17 10.260 4.652 -3.982 1.00 0.00 C ATOM 261 O TYR A 17 10.295 5.429 -3.034 1.00 0.00 O ATOM 262 CB TYR A 17 7.821 4.244 -3.764 1.00 0.00 C ATOM 263 CG TYR A 17 6.750 3.248 -3.953 1.00 0.00 C ATOM 264 CD1 TYR A 17 6.543 2.726 -5.200 1.00 0.00 C ATOM 265 CD2 TYR A 17 6.002 2.773 -2.897 1.00 0.00 C ATOM 266 CE1 TYR A 17 5.618 1.766 -5.414 1.00 0.00 C ATOM 267 CE2 TYR A 17 5.067 1.794 -3.091 1.00 0.00 C ATOM 268 CZ TYR A 17 4.875 1.292 -4.353 1.00 0.00 C ATOM 269 OH TYR A 17 3.956 0.311 -4.551 1.00 0.00 O ATOM 0 H TYR A 17 9.780 2.950 -2.232 1.00 0.00 H new ATOM 0 HA TYR A 17 9.123 3.227 -5.095 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.811 4.608 -2.737 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.644 5.105 -4.409 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.131 3.089 -6.030 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.156 3.178 -1.908 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.461 1.373 -6.408 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.487 1.421 -2.260 1.00 0.00 H new ATOM 0 HH TYR A 17 3.510 0.104 -3.703 1.00 0.00 H new ATOM 279 N ARG A 18 11.187 4.604 -4.889 1.00 0.00 N ATOM 280 CA ARG A 18 12.345 5.438 -4.793 1.00 0.00 C ATOM 281 C ARG A 18 12.359 6.473 -5.903 1.00 0.00 C ATOM 282 O ARG A 18 13.405 7.042 -6.224 1.00 0.00 O ATOM 283 CB ARG A 18 13.574 4.558 -4.880 1.00 0.00 C ATOM 284 CG ARG A 18 14.743 5.061 -4.086 1.00 0.00 C ATOM 285 CD ARG A 18 14.449 4.983 -2.592 1.00 0.00 C ATOM 286 NE ARG A 18 15.621 5.277 -1.767 1.00 0.00 N ATOM 287 CZ ARG A 18 15.644 5.252 -0.427 1.00 0.00 C ATOM 288 NH1 ARG A 18 14.513 5.089 0.268 1.00 0.00 N ATOM 289 NH2 ARG A 18 16.796 5.434 0.218 1.00 0.00 N ATOM 0 H ARG A 18 11.164 3.994 -5.706 1.00 0.00 H new ATOM 0 HA ARG A 18 12.332 5.973 -3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.317 3.557 -4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.870 4.467 -5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.629 4.471 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.963 6.091 -4.366 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.652 5.685 -2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 18 14.081 3.986 -2.350 1.00 0.00 H new ATOM 0 HE ARG A 18 16.487 5.520 -2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.624 4.983 -0.221 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.539 5.071 1.288 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.656 5.592 -0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.818 5.416 1.238 1.00 0.00 H new ATOM 303 N LEU A 19 11.206 6.741 -6.463 1.00 0.00 N ATOM 304 CA LEU A 19 11.101 7.718 -7.519 1.00 0.00 C ATOM 305 C LEU A 19 11.162 9.103 -6.951 1.00 0.00 C ATOM 306 O LEU A 19 10.529 9.383 -5.924 1.00 0.00 O ATOM 307 CB LEU A 19 9.818 7.554 -8.361 1.00 0.00 C ATOM 308 CG LEU A 19 9.860 6.515 -9.485 1.00 0.00 C ATOM 309 CD1 LEU A 19 10.048 5.096 -8.958 1.00 0.00 C ATOM 310 CD2 LEU A 19 8.618 6.606 -10.356 1.00 0.00 C ATOM 0 H LEU A 19 10.325 6.296 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 19 11.947 7.552 -8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.001 7.294 -7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.574 8.521 -8.801 1.00 0.00 H new ATOM 0 HG LEU A 19 10.732 6.747 -10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.071 4.397 -9.794 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.987 5.034 -8.407 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.221 4.841 -8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.672 5.858 -11.147 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.732 6.426 -9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.557 7.599 -10.800 1.00 0.00 H new ATOM 322 N PRO A 20 11.954 9.989 -7.572 1.00 0.00 N ATOM 323 CA PRO A 20 12.005 11.393 -7.175 1.00 0.00 C ATOM 324 C PRO A 20 10.678 12.077 -7.510 1.00 0.00 C ATOM 325 O PRO A 20 10.314 13.104 -6.913 1.00 0.00 O ATOM 326 CB PRO A 20 13.162 11.972 -8.004 1.00 0.00 C ATOM 327 CG PRO A 20 13.295 11.055 -9.172 1.00 0.00 C ATOM 328 CD PRO A 20 12.894 9.691 -8.680 1.00 0.00 C ATOM 0 HA PRO A 20 12.160 11.536 -6.106 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.947 12.991 -8.325 1.00 0.00 H new ATOM 0 HB3 PRO A 20 14.084 12.009 -7.424 1.00 0.00 H new ATOM 0 HG2 PRO A 20 12.656 11.376 -9.994 1.00 0.00 H new ATOM 0 HG3 PRO A 20 14.318 11.048 -9.548 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.417 9.105 -9.465 1.00 0.00 H new ATOM 0 HD3 PRO A 20 13.755 9.119 -8.334 1.00 0.00 H new ATOM 336 N GLY A 21 9.952 11.471 -8.447 1.00 0.00 N ATOM 337 CA GLY A 21 8.644 11.932 -8.813 1.00 0.00 C ATOM 338 C GLY A 21 7.608 11.037 -8.175 1.00 0.00 C ATOM 339 O GLY A 21 7.696 10.745 -6.974 1.00 0.00 O ATOM 0 H GLY A 21 10.266 10.650 -8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.503 12.962 -8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.532 11.923 -9.897 1.00 0.00 H new ATOM 343 N CYS A 22 6.672 10.551 -8.945 1.00 0.00 N ATOM 344 CA CYS A 22 5.666 9.678 -8.398 1.00 0.00 C ATOM 345 C CYS A 22 5.264 8.629 -9.440 1.00 0.00 C ATOM 346 O CYS A 22 5.035 8.974 -10.605 1.00 0.00 O ATOM 347 CB CYS A 22 4.431 10.478 -7.931 1.00 0.00 C ATOM 348 SG CYS A 22 3.269 9.499 -6.979 1.00 0.00 S ATOM 0 H CYS A 22 6.584 10.741 -9.943 1.00 0.00 H new ATOM 0 HA CYS A 22 6.084 9.172 -7.527 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.762 11.324 -7.328 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.921 10.888 -8.803 1.00 0.00 H new ATOM 353 N PRO A 23 5.258 7.321 -9.056 1.00 0.00 N ATOM 354 CA PRO A 23 4.824 6.211 -9.923 1.00 0.00 C ATOM 355 C PRO A 23 3.511 6.457 -10.663 1.00 0.00 C ATOM 356 O PRO A 23 2.664 7.271 -10.235 1.00 0.00 O ATOM 357 CB PRO A 23 4.672 5.066 -8.954 1.00 0.00 C ATOM 358 CG PRO A 23 5.753 5.309 -7.992 1.00 0.00 C ATOM 359 CD PRO A 23 5.752 6.798 -7.769 1.00 0.00 C ATOM 0 HA PRO A 23 5.541 6.044 -10.727 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.694 5.070 -8.473 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.780 4.101 -9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.580 4.771 -7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.712 4.970 -8.383 1.00 0.00 H new ATOM 0 HD2 PRO A 23 5.103 7.082 -6.941 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.749 7.173 -7.536 1.00 0.00 H new ATOM 367 N ARG A 24 3.359 5.739 -11.756 1.00 0.00 N ATOM 368 CA ARG A 24 2.218 5.885 -12.665 1.00 0.00 C ATOM 369 C ARG A 24 0.876 5.467 -12.043 1.00 0.00 C ATOM 370 O ARG A 24 0.230 6.254 -11.352 1.00 0.00 O ATOM 371 CB ARG A 24 2.448 5.119 -13.978 1.00 0.00 C ATOM 372 CG ARG A 24 3.598 5.619 -14.828 1.00 0.00 C ATOM 373 CD ARG A 24 3.347 7.013 -15.361 1.00 0.00 C ATOM 374 NE ARG A 24 4.463 7.471 -16.189 1.00 0.00 N ATOM 375 CZ ARG A 24 4.421 7.630 -17.521 1.00 0.00 C ATOM 376 NH1 ARG A 24 3.301 7.381 -18.202 1.00 0.00 N ATOM 377 NH2 ARG A 24 5.503 8.047 -18.164 1.00 0.00 N ATOM 0 H ARG A 24 4.027 5.026 -12.051 1.00 0.00 H new ATOM 0 HA ARG A 24 2.151 6.953 -12.874 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.623 4.070 -13.741 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.534 5.164 -14.570 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.513 5.617 -14.236 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.756 4.935 -15.662 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.428 7.021 -15.947 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.201 7.702 -14.529 1.00 0.00 H new ATOM 0 HE ARG A 24 5.341 7.686 -15.717 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.465 7.066 -17.710 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.281 7.505 -19.214 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.359 8.245 -17.646 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.479 8.170 -19.176 1.00 0.00 H new ATOM 391 N HIS A 25 0.471 4.234 -12.293 1.00 0.00 N ATOM 392 CA HIS A 25 -0.807 3.717 -11.824 1.00 0.00 C ATOM 393 C HIS A 25 -0.833 2.216 -12.121 1.00 0.00 C ATOM 394 O HIS A 25 -1.884 1.600 -12.299 1.00 0.00 O ATOM 395 CB HIS A 25 -1.967 4.452 -12.563 1.00 0.00 C ATOM 396 CG HIS A 25 -3.352 4.155 -12.043 1.00 0.00 C ATOM 397 ND1 HIS A 25 -4.267 3.378 -12.725 1.00 0.00 N ATOM 398 CD2 HIS A 25 -3.973 4.545 -10.902 1.00 0.00 C ATOM 399 CE1 HIS A 25 -5.388 3.302 -12.031 1.00 0.00 C ATOM 400 NE2 HIS A 25 -5.234 4.001 -10.920 1.00 0.00 N ATOM 0 H HIS A 25 1.019 3.560 -12.828 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.933 3.884 -10.754 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.795 5.526 -12.498 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.929 4.187 -13.620 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -3.554 5.167 -10.125 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -6.277 2.762 -12.321 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.939 4.118 -10.192 1.00 0.00 H new ATOM 409 N PHE A 26 0.335 1.618 -12.061 1.00 0.00 N ATOM 410 CA PHE A 26 0.544 0.196 -12.400 1.00 0.00 C ATOM 411 C PHE A 26 0.112 -0.751 -11.265 1.00 0.00 C ATOM 412 O PHE A 26 0.495 -1.904 -11.248 1.00 0.00 O ATOM 413 CB PHE A 26 2.024 -0.028 -12.764 1.00 0.00 C ATOM 414 CG PHE A 26 3.058 0.629 -11.835 1.00 0.00 C ATOM 415 CD1 PHE A 26 3.045 0.444 -10.450 1.00 0.00 C ATOM 416 CD2 PHE A 26 4.056 1.424 -12.371 1.00 0.00 C ATOM 417 CE1 PHE A 26 3.997 1.033 -9.645 1.00 0.00 C ATOM 418 CE2 PHE A 26 5.013 2.006 -11.568 1.00 0.00 C ATOM 419 CZ PHE A 26 4.984 1.810 -10.206 1.00 0.00 C ATOM 0 H PHE A 26 1.189 2.097 -11.774 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.088 -0.042 -13.256 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.214 -1.101 -12.783 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.188 0.343 -13.776 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.277 -0.170 -10.003 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.085 1.591 -13.438 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.968 0.885 -8.576 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.787 2.617 -12.008 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.735 2.266 -9.578 1.00 0.00 H new ATOM 429 N ASN A 27 -0.820 -0.256 -10.475 1.00 0.00 N ATOM 430 CA ASN A 27 -1.319 -0.746 -9.137 1.00 0.00 C ATOM 431 C ASN A 27 -1.082 -2.264 -8.821 1.00 0.00 C ATOM 432 O ASN A 27 -1.946 -3.111 -9.115 1.00 0.00 O ATOM 433 CB ASN A 27 -2.896 -0.416 -8.991 1.00 0.00 C ATOM 434 CG ASN A 27 -3.201 1.062 -8.979 1.00 0.00 C ATOM 435 OD1 ASN A 27 -2.382 1.887 -8.573 1.00 0.00 O ATOM 436 ND2 ASN A 27 -4.368 1.411 -9.424 1.00 0.00 N ATOM 0 H ASN A 27 -1.320 0.589 -10.753 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.714 -0.207 -8.408 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.435 -0.884 -9.815 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.270 -0.864 -8.070 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.632 2.396 -9.445 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.022 0.700 -9.753 1.00 0.00 H new ATOM 443 N PRO A 28 0.132 -2.615 -8.321 1.00 0.00 N ATOM 444 CA PRO A 28 0.442 -3.933 -7.776 1.00 0.00 C ATOM 445 C PRO A 28 -0.527 -4.496 -6.731 1.00 0.00 C ATOM 446 O PRO A 28 -1.003 -5.612 -6.882 1.00 0.00 O ATOM 447 CB PRO A 28 1.797 -3.743 -7.108 1.00 0.00 C ATOM 448 CG PRO A 28 2.445 -2.614 -7.807 1.00 0.00 C ATOM 449 CD PRO A 28 1.360 -1.821 -8.473 1.00 0.00 C ATOM 0 HA PRO A 28 0.393 -4.654 -8.592 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.681 -3.528 -6.046 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.400 -4.648 -7.186 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.998 -1.993 -7.103 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.162 -2.978 -8.543 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.252 -0.841 -8.009 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.589 -1.652 -9.525 1.00 0.00 H new ATOM 457 N VAL A 29 -0.870 -3.711 -5.738 1.00 0.00 N ATOM 458 CA VAL A 29 -1.485 -4.248 -4.526 1.00 0.00 C ATOM 459 C VAL A 29 -2.964 -3.993 -4.428 1.00 0.00 C ATOM 460 O VAL A 29 -3.540 -3.238 -5.204 1.00 0.00 O ATOM 461 CB VAL A 29 -0.779 -3.737 -3.249 1.00 0.00 C ATOM 462 CG1 VAL A 29 0.695 -4.127 -3.252 1.00 0.00 C ATOM 463 CG2 VAL A 29 -0.952 -2.230 -3.061 1.00 0.00 C ATOM 0 H VAL A 29 -0.738 -2.700 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.353 -5.327 -4.603 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.258 -4.220 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.171 -3.757 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.784 -5.213 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.185 -3.691 -4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.440 -1.916 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.527 -1.705 -3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.013 -1.993 -2.980 1.00 0.00 H new ATOM 473 N CYS A 30 -3.556 -4.590 -3.444 1.00 0.00 N ATOM 474 CA CYS A 30 -4.963 -4.583 -3.283 1.00 0.00 C ATOM 475 C CYS A 30 -5.360 -3.820 -2.050 1.00 0.00 C ATOM 476 O CYS A 30 -4.796 -3.978 -1.003 1.00 0.00 O ATOM 477 CB CYS A 30 -5.483 -6.017 -3.239 1.00 0.00 C ATOM 478 SG CYS A 30 -5.179 -6.958 -4.787 1.00 0.00 S ATOM 0 H CYS A 30 -3.059 -5.105 -2.718 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.414 -4.076 -4.136 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.011 -6.540 -2.407 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.554 -6.000 -3.039 1.00 0.00 H new ATOM 483 N GLY A 31 -6.300 -3.004 -2.219 1.00 0.00 N ATOM 484 CA GLY A 31 -6.825 -2.149 -1.201 1.00 0.00 C ATOM 485 C GLY A 31 -7.733 -2.745 -0.146 1.00 0.00 C ATOM 486 O GLY A 31 -8.832 -3.165 -0.454 1.00 0.00 O ATOM 0 H GLY A 31 -6.769 -2.889 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.980 -1.689 -0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.374 -1.347 -1.694 1.00 0.00 H new ATOM 490 N SER A 32 -7.295 -2.715 1.144 1.00 0.00 N ATOM 491 CA SER A 32 -8.189 -3.100 2.242 1.00 0.00 C ATOM 492 C SER A 32 -9.093 -1.883 2.508 1.00 0.00 C ATOM 493 O SER A 32 -10.197 -1.979 3.044 1.00 0.00 O ATOM 494 CB SER A 32 -7.382 -3.457 3.510 1.00 0.00 C ATOM 495 OG SER A 32 -8.224 -3.809 4.598 1.00 0.00 O ATOM 0 H SER A 32 -6.357 -2.436 1.430 1.00 0.00 H new ATOM 0 HA SER A 32 -8.773 -3.982 1.979 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.710 -4.286 3.290 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.759 -2.608 3.794 1.00 0.00 H new ATOM 0 HG SER A 32 -7.674 -4.029 5.379 1.00 0.00 H new ATOM 501 N ASP A 33 -8.602 -0.733 2.056 1.00 0.00 N ATOM 502 CA ASP A 33 -9.314 0.557 2.112 1.00 0.00 C ATOM 503 C ASP A 33 -10.251 0.652 0.889 1.00 0.00 C ATOM 504 O ASP A 33 -10.854 1.684 0.606 1.00 0.00 O ATOM 505 CB ASP A 33 -8.257 1.698 2.130 1.00 0.00 C ATOM 506 CG ASP A 33 -8.811 3.112 2.220 1.00 0.00 C ATOM 507 OD1 ASP A 33 -9.295 3.512 3.283 1.00 0.00 O ATOM 508 OD2 ASP A 33 -8.726 3.857 1.222 1.00 0.00 O ATOM 0 H ASP A 33 -7.678 -0.661 1.630 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.924 0.645 3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.589 1.535 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.652 1.622 1.226 1.00 0.00 H new ATOM 513 N MET A 34 -10.383 -0.493 0.211 1.00 0.00 N ATOM 514 CA MET A 34 -11.217 -0.696 -0.968 1.00 0.00 C ATOM 515 C MET A 34 -10.776 0.183 -2.128 1.00 0.00 C ATOM 516 O MET A 34 -11.449 1.134 -2.534 1.00 0.00 O ATOM 517 CB MET A 34 -12.723 -0.593 -0.654 1.00 0.00 C ATOM 518 CG MET A 34 -13.634 -0.956 -1.828 1.00 0.00 C ATOM 519 SD MET A 34 -15.389 -0.956 -1.404 1.00 0.00 S ATOM 520 CE MET A 34 -15.462 -2.277 -0.187 1.00 0.00 C ATOM 0 H MET A 34 -9.886 -1.340 0.486 1.00 0.00 H new ATOM 0 HA MET A 34 -11.066 -1.725 -1.295 1.00 0.00 H new ATOM 0 HB2 MET A 34 -12.953 -1.248 0.186 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.948 0.425 -0.335 1.00 0.00 H new ATOM 0 HG2 MET A 34 -13.465 -0.250 -2.641 1.00 0.00 H new ATOM 0 HG3 MET A 34 -13.358 -1.943 -2.200 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.319 -2.917 -0.396 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.547 -2.868 -0.236 1.00 0.00 H new ATOM 0 HE3 MET A 34 -15.564 -1.848 0.810 1.00 0.00 H new ATOM 530 N SER A 35 -9.615 -0.150 -2.625 1.00 0.00 N ATOM 531 CA SER A 35 -8.924 0.533 -3.712 1.00 0.00 C ATOM 532 C SER A 35 -7.681 -0.277 -4.087 1.00 0.00 C ATOM 533 O SER A 35 -6.793 -0.386 -3.334 1.00 0.00 O ATOM 534 CB SER A 35 -8.456 1.965 -3.306 1.00 0.00 C ATOM 535 OG SER A 35 -9.536 2.839 -2.978 1.00 0.00 O ATOM 0 H SER A 35 -9.088 -0.948 -2.270 1.00 0.00 H new ATOM 0 HA SER A 35 -9.622 0.621 -4.544 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.784 1.892 -2.451 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.883 2.399 -4.125 1.00 0.00 H new ATOM 0 HG SER A 35 -10.388 2.389 -3.158 1.00 0.00 H new ATOM 541 N THR A 36 -7.682 -0.870 -5.193 1.00 0.00 N ATOM 542 CA THR A 36 -6.500 -1.537 -5.724 1.00 0.00 C ATOM 543 C THR A 36 -5.509 -0.450 -6.196 1.00 0.00 C ATOM 544 O THR A 36 -5.847 0.398 -7.031 1.00 0.00 O ATOM 545 CB THR A 36 -6.911 -2.422 -6.906 1.00 0.00 C ATOM 546 OG1 THR A 36 -7.988 -3.282 -6.495 1.00 0.00 O ATOM 547 CG2 THR A 36 -5.757 -3.270 -7.384 1.00 0.00 C ATOM 0 H THR A 36 -8.500 -0.931 -5.799 1.00 0.00 H new ATOM 0 HA THR A 36 -6.032 -2.161 -4.963 1.00 0.00 H new ATOM 0 HB THR A 36 -7.225 -1.777 -7.726 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.258 -3.850 -7.246 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.081 -3.886 -8.223 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.939 -2.624 -7.703 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.417 -3.913 -6.572 1.00 0.00 H new ATOM 555 N TYR A 37 -4.316 -0.473 -5.619 1.00 0.00 N ATOM 556 CA TYR A 37 -3.337 0.593 -5.746 1.00 0.00 C ATOM 557 C TYR A 37 -1.930 0.097 -5.616 1.00 0.00 C ATOM 558 O TYR A 37 -1.712 -1.081 -5.687 1.00 0.00 O ATOM 559 CB TYR A 37 -3.566 1.705 -4.714 1.00 0.00 C ATOM 560 CG TYR A 37 -4.063 1.331 -3.379 1.00 0.00 C ATOM 561 CD1 TYR A 37 -3.852 0.089 -2.817 1.00 0.00 C ATOM 562 CD2 TYR A 37 -4.774 2.256 -2.685 1.00 0.00 C ATOM 563 CE1 TYR A 37 -4.348 -0.205 -1.593 1.00 0.00 C ATOM 564 CE2 TYR A 37 -5.282 1.988 -1.478 1.00 0.00 C ATOM 565 CZ TYR A 37 -5.075 0.756 -0.910 1.00 0.00 C ATOM 566 OH TYR A 37 -5.636 0.469 0.307 1.00 0.00 O ATOM 0 H TYR A 37 -3.997 -1.249 -5.039 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.475 0.996 -6.749 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.622 2.233 -4.581 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.272 2.416 -5.144 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.286 -0.655 -3.358 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.933 3.232 -3.119 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.179 -1.177 -1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.853 2.738 -0.952 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.553 0.148 0.177 1.00 0.00 H new ATOM 576 N ALA A 38 -0.984 1.061 -5.576 1.00 0.00 N ATOM 577 CA ALA A 38 0.432 0.895 -5.129 1.00 0.00 C ATOM 578 C ALA A 38 1.291 1.920 -5.787 1.00 0.00 C ATOM 579 O ALA A 38 1.901 1.653 -6.810 1.00 0.00 O ATOM 580 CB ALA A 38 1.064 -0.475 -5.386 1.00 0.00 C ATOM 0 H ALA A 38 -1.186 2.018 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 38 0.382 1.010 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.091 -0.476 -5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.492 -1.243 -4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.060 -0.683 -6.456 1.00 0.00 H new ATOM 586 N ASN A 39 1.303 3.092 -5.234 1.00 0.00 N ATOM 587 CA ASN A 39 2.109 4.172 -5.773 1.00 0.00 C ATOM 588 C ASN A 39 2.411 5.126 -4.674 1.00 0.00 C ATOM 589 O ASN A 39 1.762 5.079 -3.625 1.00 0.00 O ATOM 590 CB ASN A 39 1.442 4.949 -6.957 1.00 0.00 C ATOM 591 CG ASN A 39 0.952 4.082 -8.113 1.00 0.00 C ATOM 592 OD1 ASN A 39 1.696 3.751 -9.032 1.00 0.00 O ATOM 593 ND2 ASN A 39 -0.320 3.802 -8.107 1.00 0.00 N ATOM 0 H ASN A 39 0.764 3.338 -4.404 1.00 0.00 H new ATOM 0 HA ASN A 39 3.010 3.716 -6.183 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.597 5.517 -6.567 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.160 5.672 -7.345 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.733 3.289 -8.886 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.903 4.096 -7.323 1.00 0.00 H new ATOM 600 N GLU A 40 3.346 6.014 -4.918 1.00 0.00 N ATOM 601 CA GLU A 40 3.751 7.040 -3.960 1.00 0.00 C ATOM 602 C GLU A 40 2.591 8.018 -3.716 1.00 0.00 C ATOM 603 O GLU A 40 2.484 8.632 -2.672 1.00 0.00 O ATOM 604 CB GLU A 40 4.969 7.793 -4.529 1.00 0.00 C ATOM 605 CG GLU A 40 5.556 8.898 -3.657 1.00 0.00 C ATOM 606 CD GLU A 40 6.111 8.402 -2.349 1.00 0.00 C ATOM 607 OE1 GLU A 40 7.173 7.722 -2.358 1.00 0.00 O ATOM 608 OE2 GLU A 40 5.511 8.694 -1.289 1.00 0.00 O ATOM 0 H GLU A 40 3.860 6.052 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 40 4.016 6.576 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.755 7.066 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.683 8.230 -5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.348 9.404 -4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.783 9.640 -3.456 1.00 0.00 H new ATOM 615 N CYS A 41 1.670 8.073 -4.641 1.00 0.00 N ATOM 616 CA CYS A 41 0.608 9.047 -4.551 1.00 0.00 C ATOM 617 C CYS A 41 -0.703 8.341 -4.517 1.00 0.00 C ATOM 618 O CYS A 41 -1.733 8.924 -4.218 1.00 0.00 O ATOM 619 CB CYS A 41 0.672 10.089 -5.678 1.00 0.00 C ATOM 620 SG CYS A 41 2.291 10.866 -5.856 1.00 0.00 S ATOM 0 H CYS A 41 1.630 7.464 -5.458 1.00 0.00 H new ATOM 0 HA CYS A 41 0.731 9.610 -3.626 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.403 9.610 -6.619 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -0.073 10.862 -5.489 1.00 0.00 H new ATOM 625 N THR A 42 -0.675 7.067 -4.810 1.00 0.00 N ATOM 626 CA THR A 42 -1.835 6.323 -4.645 1.00 0.00 C ATOM 627 C THR A 42 -1.836 5.745 -3.242 1.00 0.00 C ATOM 628 O THR A 42 -2.651 6.155 -2.426 1.00 0.00 O ATOM 629 CB THR A 42 -2.013 5.264 -5.705 1.00 0.00 C ATOM 630 OG1 THR A 42 -1.632 5.833 -6.947 1.00 0.00 O ATOM 631 CG2 THR A 42 -3.471 4.880 -5.804 1.00 0.00 C ATOM 0 H THR A 42 0.137 6.556 -5.156 1.00 0.00 H new ATOM 0 HA THR A 42 -2.696 6.980 -4.769 1.00 0.00 H new ATOM 0 HB THR A 42 -1.415 4.387 -5.458 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.249 5.534 -7.647 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.595 4.115 -6.571 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.811 4.490 -4.844 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.061 5.757 -6.068 1.00 0.00 H new ATOM 639 N LEU A 43 -0.850 4.878 -2.884 1.00 0.00 N ATOM 640 CA LEU A 43 -0.910 4.413 -1.468 1.00 0.00 C ATOM 641 C LEU A 43 -0.291 5.333 -0.643 1.00 0.00 C ATOM 642 O LEU A 43 -0.811 5.697 0.240 1.00 0.00 O ATOM 643 CB LEU A 43 -0.205 3.167 -1.048 1.00 0.00 C ATOM 644 CG LEU A 43 -0.797 1.896 -1.401 1.00 0.00 C ATOM 645 CD1 LEU A 43 0.244 0.804 -1.330 1.00 0.00 C ATOM 646 CD2 LEU A 43 -1.904 1.599 -0.430 1.00 0.00 C ATOM 0 H LEU A 43 -0.093 4.522 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.985 4.254 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.800 3.195 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.097 3.195 0.036 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.189 1.941 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.211 -0.150 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.054 1.028 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.641 0.745 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.362 0.643 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.499 1.552 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.656 2.387 -0.483 1.00 0.00 H new ATOM 658 N CYS A 44 0.878 5.664 -0.944 1.00 0.00 N ATOM 659 CA CYS A 44 1.686 6.394 -0.004 1.00 0.00 C ATOM 660 C CYS A 44 1.118 7.757 0.375 1.00 0.00 C ATOM 661 O CYS A 44 1.317 8.228 1.501 1.00 0.00 O ATOM 662 CB CYS A 44 3.116 6.383 -0.431 1.00 0.00 C ATOM 663 SG CYS A 44 3.716 4.715 -0.849 1.00 0.00 S ATOM 0 H CYS A 44 1.331 5.455 -1.834 1.00 0.00 H new ATOM 0 HA CYS A 44 1.653 5.870 0.951 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.237 7.035 -1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.732 6.796 0.368 1.00 0.00 H new ATOM 668 N MET A 45 0.351 8.329 -0.515 1.00 0.00 N ATOM 669 CA MET A 45 -0.388 9.500 -0.202 1.00 0.00 C ATOM 670 C MET A 45 -1.489 9.070 0.763 1.00 0.00 C ATOM 671 O MET A 45 -1.547 9.540 1.919 1.00 0.00 O ATOM 672 CB MET A 45 -0.946 10.101 -1.490 1.00 0.00 C ATOM 673 CG MET A 45 -1.681 11.412 -1.327 1.00 0.00 C ATOM 674 SD MET A 45 -0.689 12.630 -0.435 1.00 0.00 S ATOM 675 CE MET A 45 -1.801 14.035 -0.438 1.00 0.00 C ATOM 0 H MET A 45 0.228 7.990 -1.469 1.00 0.00 H new ATOM 0 HA MET A 45 0.225 10.271 0.265 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.122 10.250 -2.188 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.623 9.378 -1.945 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.944 11.806 -2.309 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.615 11.241 -0.791 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.331 14.872 0.078 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.023 14.321 -1.466 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.726 13.768 0.072 1.00 0.00 H new ATOM 685 N LYS A 46 -2.283 8.059 0.316 1.00 0.00 N ATOM 686 CA LYS A 46 -3.331 7.447 1.084 1.00 0.00 C ATOM 687 C LYS A 46 -2.822 6.997 2.435 1.00 0.00 C ATOM 688 O LYS A 46 -3.476 7.195 3.441 1.00 0.00 O ATOM 689 CB LYS A 46 -3.769 6.169 0.385 1.00 0.00 C ATOM 690 CG LYS A 46 -5.242 5.909 0.329 1.00 0.00 C ATOM 691 CD LYS A 46 -5.977 6.955 -0.492 1.00 0.00 C ATOM 692 CE LYS A 46 -7.426 6.561 -0.811 1.00 0.00 C ATOM 693 NZ LYS A 46 -8.289 6.382 0.388 1.00 0.00 N ATOM 0 H LYS A 46 -2.185 7.658 -0.617 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.132 8.179 1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.387 6.191 -0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.293 5.326 0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.419 4.922 -0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.646 5.894 1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.975 7.901 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.438 7.121 -1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.866 7.326 -1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.421 5.633 -1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.286 6.505 0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.150 5.427 0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.034 7.088 1.108 1.00 0.00 H new ATOM 707 N ILE A 47 -1.665 6.390 2.443 1.00 0.00 N ATOM 708 CA ILE A 47 -1.258 5.698 3.552 1.00 0.00 C ATOM 709 C ILE A 47 -0.828 6.602 4.695 1.00 0.00 C ATOM 710 O ILE A 47 -1.001 6.269 5.876 1.00 0.00 O ATOM 711 CB ILE A 47 -0.212 4.589 3.262 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.276 3.579 4.378 1.00 0.00 C ATOM 713 CG2 ILE A 47 1.200 5.172 3.189 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.629 2.381 4.202 1.00 0.00 C ATOM 0 H ILE A 47 -1.007 6.384 1.664 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.154 5.174 3.884 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.438 4.125 2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.020 4.076 5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.304 3.229 4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.913 4.373 2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.247 5.913 2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.448 5.646 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.514 1.710 5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.361 1.854 3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.665 2.714 4.139 1.00 0.00 H new ATOM 726 N ARG A 48 -0.253 7.736 4.330 1.00 0.00 N ATOM 727 CA ARG A 48 0.306 8.619 5.302 1.00 0.00 C ATOM 728 C ARG A 48 -0.826 9.281 6.056 1.00 0.00 C ATOM 729 O ARG A 48 -0.808 9.293 7.277 1.00 0.00 O ATOM 730 CB ARG A 48 1.145 9.630 4.549 1.00 0.00 C ATOM 731 CG ARG A 48 2.041 10.521 5.366 1.00 0.00 C ATOM 732 CD ARG A 48 2.815 11.398 4.411 1.00 0.00 C ATOM 733 NE ARG A 48 3.822 12.248 5.037 1.00 0.00 N ATOM 734 CZ ARG A 48 4.705 12.970 4.321 1.00 0.00 C ATOM 735 NH1 ARG A 48 4.674 12.908 2.982 1.00 0.00 N ATOM 736 NH2 ARG A 48 5.607 13.742 4.924 1.00 0.00 N ATOM 0 H ARG A 48 -0.168 8.054 3.364 1.00 0.00 H new ATOM 0 HA ARG A 48 0.932 8.099 6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.766 9.089 3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.473 10.264 3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.452 11.130 6.052 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.721 9.925 5.974 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.305 10.763 3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.111 12.031 3.870 1.00 0.00 H new ATOM 0 HE ARG A 48 3.859 12.297 6.055 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.986 12.318 2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.339 13.451 2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.636 13.793 5.942 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.269 14.283 4.368 1.00 0.00 H new ATOM 750 N GLU A 49 -1.863 9.687 5.295 1.00 0.00 N ATOM 751 CA GLU A 49 -3.164 10.248 5.809 1.00 0.00 C ATOM 752 C GLU A 49 -4.051 10.538 4.638 1.00 0.00 C ATOM 753 O GLU A 49 -5.049 11.253 4.777 1.00 0.00 O ATOM 754 CB GLU A 49 -3.038 11.598 6.582 1.00 0.00 C ATOM 755 CG GLU A 49 -2.337 11.593 7.907 1.00 0.00 C ATOM 756 CD GLU A 49 -2.178 12.969 8.476 1.00 0.00 C ATOM 757 OE1 GLU A 49 -1.179 13.652 8.158 1.00 0.00 O ATOM 758 OE2 GLU A 49 -3.037 13.407 9.252 1.00 0.00 O ATOM 0 H GLU A 49 -1.834 9.639 4.277 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.549 9.496 6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.520 12.305 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.044 11.987 6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.898 10.976 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.355 11.134 7.793 1.00 0.00 H new ATOM 765 N GLY A 50 -3.739 9.974 3.507 1.00 0.00 N ATOM 766 CA GLY A 50 -4.538 10.244 2.347 1.00 0.00 C ATOM 767 C GLY A 50 -5.838 9.549 2.504 1.00 0.00 C ATOM 768 O GLY A 50 -6.855 9.970 1.961 1.00 0.00 O ATOM 0 H GLY A 50 -2.955 9.338 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.693 11.317 2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.029 9.899 1.447 1.00 0.00 H new ATOM 772 N GLY A 51 -5.806 8.444 3.229 1.00 0.00 N ATOM 773 CA GLY A 51 -7.020 7.866 3.629 1.00 0.00 C ATOM 774 C GLY A 51 -6.992 7.479 5.075 1.00 0.00 C ATOM 775 O GLY A 51 -7.676 8.048 5.907 1.00 0.00 O ATOM 0 H GLY A 51 -4.962 7.959 3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.834 8.570 3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.224 6.986 3.019 1.00 0.00 H new ATOM 779 N HIS A 52 -6.154 6.541 5.355 1.00 0.00 N ATOM 780 CA HIS A 52 -6.114 5.822 6.584 1.00 0.00 C ATOM 781 C HIS A 52 -4.722 5.321 6.667 1.00 0.00 C ATOM 782 O HIS A 52 -3.907 5.675 5.825 1.00 0.00 O ATOM 783 CB HIS A 52 -7.123 4.628 6.574 1.00 0.00 C ATOM 784 CG HIS A 52 -8.578 5.030 6.581 1.00 0.00 C ATOM 785 ND1 HIS A 52 -9.458 4.727 5.570 1.00 0.00 N ATOM 786 CD2 HIS A 52 -9.297 5.727 7.491 1.00 0.00 C ATOM 787 CE1 HIS A 52 -10.639 5.217 5.853 1.00 0.00 C ATOM 788 NE2 HIS A 52 -10.574 5.831 7.012 1.00 0.00 N ATOM 0 H HIS A 52 -5.437 6.237 4.696 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.392 6.446 7.434 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.933 4.017 5.691 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.930 4.000 7.444 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.227 4.201 4.728 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.930 6.128 8.424 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -11.521 5.130 5.235 1.00 0.00 H new ATOM 797 N ASN A 53 -4.434 4.506 7.604 1.00 0.00 N ATOM 798 CA ASN A 53 -3.175 3.809 7.572 1.00 0.00 C ATOM 799 C ASN A 53 -3.392 2.505 6.829 1.00 0.00 C ATOM 800 O ASN A 53 -3.771 1.484 7.426 1.00 0.00 O ATOM 801 CB ASN A 53 -2.579 3.579 8.965 1.00 0.00 C ATOM 802 CG ASN A 53 -2.132 4.886 9.660 1.00 0.00 C ATOM 803 OD1 ASN A 53 -2.165 4.966 10.892 1.00 0.00 O ATOM 804 ND2 ASN A 53 -1.733 5.940 8.898 1.00 0.00 N ATOM 0 H ASN A 53 -5.033 4.294 8.402 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.439 4.425 7.055 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.317 3.077 9.590 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.723 2.909 8.881 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.455 6.815 9.343 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.712 5.856 7.882 1.00 0.00 H new ATOM 811 N ILE A 54 -3.258 2.599 5.511 1.00 0.00 N ATOM 812 CA ILE A 54 -3.496 1.506 4.574 1.00 0.00 C ATOM 813 C ILE A 54 -2.776 0.217 4.893 1.00 0.00 C ATOM 814 O ILE A 54 -1.588 0.181 5.213 1.00 0.00 O ATOM 815 CB ILE A 54 -3.235 1.893 3.060 1.00 0.00 C ATOM 816 CG1 ILE A 54 -4.335 2.801 2.447 1.00 0.00 C ATOM 817 CG2 ILE A 54 -3.210 0.625 2.243 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.805 3.974 3.267 1.00 0.00 C ATOM 0 H ILE A 54 -2.972 3.463 5.051 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.562 1.321 4.709 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.294 2.442 3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.965 3.183 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.201 2.177 2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.031 0.870 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.413 -0.025 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.167 0.112 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.572 4.518 2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.219 3.616 4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.964 4.637 3.469 1.00 0.00 H new ATOM 830 N LYS A 55 -3.535 -0.828 4.798 1.00 0.00 N ATOM 831 CA LYS A 55 -3.056 -2.131 4.773 1.00 0.00 C ATOM 832 C LYS A 55 -3.585 -2.657 3.498 1.00 0.00 C ATOM 833 O LYS A 55 -4.716 -2.319 3.119 1.00 0.00 O ATOM 834 CB LYS A 55 -3.483 -3.006 5.980 1.00 0.00 C ATOM 835 CG LYS A 55 -4.940 -2.919 6.438 1.00 0.00 C ATOM 836 CD LYS A 55 -5.239 -1.642 7.232 1.00 0.00 C ATOM 837 CE LYS A 55 -4.416 -1.570 8.519 1.00 0.00 C ATOM 838 NZ LYS A 55 -4.715 -0.359 9.303 1.00 0.00 N ATOM 0 H LYS A 55 -4.551 -0.769 4.734 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.969 -2.151 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.270 -4.046 5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.849 -2.743 6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.593 -2.960 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.175 -3.787 7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.024 -0.770 6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.301 -1.606 7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.616 -2.453 9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.355 -1.588 8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.135 -0.352 10.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.500 0.485 8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.722 -0.354 9.563 1.00 0.00 H new ATOM 852 N ILE A 56 -2.806 -3.356 2.779 1.00 0.00 N ATOM 853 CA ILE A 56 -3.281 -3.858 1.582 1.00 0.00 C ATOM 854 C ILE A 56 -3.993 -5.145 1.894 1.00 0.00 C ATOM 855 O ILE A 56 -3.630 -5.849 2.848 1.00 0.00 O ATOM 856 CB ILE A 56 -2.185 -4.081 0.547 1.00 0.00 C ATOM 857 CG1 ILE A 56 -1.107 -5.059 1.007 1.00 0.00 C ATOM 858 CG2 ILE A 56 -1.606 -2.750 0.128 1.00 0.00 C ATOM 859 CD1 ILE A 56 0.098 -5.083 0.104 1.00 0.00 C ATOM 0 H ILE A 56 -1.839 -3.588 3.006 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.954 -3.128 1.132 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.642 -4.558 -0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.791 -4.793 2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.533 -6.061 1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.822 -2.911 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.392 -2.131 -0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.185 -2.246 0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.826 -5.798 0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.206 -5.378 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.547 -4.091 0.071 1.00 0.00 H new ATOM 871 N ILE A 57 -4.997 -5.445 1.164 1.00 0.00 N ATOM 872 CA ILE A 57 -5.757 -6.623 1.436 1.00 0.00 C ATOM 873 C ILE A 57 -5.057 -7.805 0.831 1.00 0.00 C ATOM 874 O ILE A 57 -5.044 -8.914 1.368 1.00 0.00 O ATOM 875 CB ILE A 57 -7.218 -6.488 0.942 1.00 0.00 C ATOM 876 CG1 ILE A 57 -8.072 -7.601 1.458 1.00 0.00 C ATOM 877 CG2 ILE A 57 -7.332 -6.370 -0.569 1.00 0.00 C ATOM 878 CD1 ILE A 57 -9.524 -7.525 1.037 1.00 0.00 C ATOM 0 H ILE A 57 -5.321 -4.895 0.368 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.822 -6.770 2.514 1.00 0.00 H new ATOM 0 HB ILE A 57 -7.588 -5.549 1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.657 -8.549 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.022 -7.605 2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.382 -6.279 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.788 -5.488 -0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.908 -7.259 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.069 -8.371 1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.961 -6.595 1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.589 -7.554 -0.051 1.00 0.00 H new ATOM 890 N ARG A 58 -4.469 -7.526 -0.261 1.00 0.00 N ATOM 891 CA ARG A 58 -3.669 -8.404 -0.955 1.00 0.00 C ATOM 892 C ARG A 58 -2.419 -7.736 -1.401 1.00 0.00 C ATOM 893 O ARG A 58 -2.428 -6.572 -1.804 1.00 0.00 O ATOM 894 CB ARG A 58 -4.379 -9.183 -2.060 1.00 0.00 C ATOM 895 CG ARG A 58 -5.051 -10.443 -1.599 1.00 0.00 C ATOM 896 CD ARG A 58 -4.004 -11.413 -1.143 1.00 0.00 C ATOM 897 NE ARG A 58 -3.231 -11.995 -2.247 1.00 0.00 N ATOM 898 CZ ARG A 58 -2.026 -12.574 -2.112 1.00 0.00 C ATOM 899 NH1 ARG A 58 -1.397 -12.571 -0.931 1.00 0.00 N ATOM 900 NH2 ARG A 58 -1.465 -13.154 -3.148 1.00 0.00 N ATOM 0 H ARG A 58 -4.549 -6.614 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.391 -9.188 -0.250 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.125 -8.536 -2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.653 -9.435 -2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.743 -10.225 -0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.638 -10.875 -2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.323 -10.907 -0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.482 -12.215 -0.581 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.637 -11.957 -3.182 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.832 -12.126 -0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.483 -13.013 -0.839 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.944 -13.163 -4.049 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.550 -13.595 -3.052 1.00 0.00 H new ATOM 914 N ASN A 59 -1.355 -8.476 -1.316 1.00 0.00 N ATOM 915 CA ASN A 59 -0.016 -7.989 -1.589 1.00 0.00 C ATOM 916 C ASN A 59 0.248 -7.826 -3.068 1.00 0.00 C ATOM 917 O ASN A 59 1.312 -7.340 -3.465 1.00 0.00 O ATOM 918 CB ASN A 59 1.005 -8.963 -1.056 1.00 0.00 C ATOM 919 CG ASN A 59 0.878 -9.222 0.420 1.00 0.00 C ATOM 920 OD1 ASN A 59 0.393 -8.396 1.166 1.00 0.00 O ATOM 921 ND2 ASN A 59 1.325 -10.369 0.850 1.00 0.00 N ATOM 0 H ASN A 59 -1.383 -9.460 -1.049 1.00 0.00 H new ATOM 0 HA ASN A 59 0.063 -7.017 -1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.908 -9.907 -1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.004 -8.580 -1.264 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.273 -10.597 1.843 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.726 -11.039 0.193 1.00 0.00 H new ATOM 928 N GLY A 60 -0.672 -8.257 -3.880 1.00 0.00 N ATOM 929 CA GLY A 60 -0.482 -8.158 -5.290 1.00 0.00 C ATOM 930 C GLY A 60 -1.587 -8.832 -6.057 1.00 0.00 C ATOM 931 O GLY A 60 -2.524 -8.169 -6.484 1.00 0.00 O ATOM 0 H GLY A 60 -1.555 -8.677 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.431 -7.107 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.473 -8.608 -5.559 1.00 0.00 H new ATOM 935 N PRO A 61 -1.528 -10.154 -6.236 1.00 0.00 N ATOM 936 CA PRO A 61 -2.525 -10.872 -7.013 1.00 0.00 C ATOM 937 C PRO A 61 -3.903 -10.894 -6.343 1.00 0.00 C ATOM 938 O PRO A 61 -4.039 -11.219 -5.145 1.00 0.00 O ATOM 939 CB PRO A 61 -1.958 -12.295 -7.141 1.00 0.00 C ATOM 940 CG PRO A 61 -0.545 -12.204 -6.670 1.00 0.00 C ATOM 941 CD PRO A 61 -0.498 -11.060 -5.710 1.00 0.00 C ATOM 0 HA PRO A 61 -2.693 -10.389 -7.975 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.528 -13.001 -6.537 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.006 -12.646 -8.172 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.235 -13.131 -6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.134 -12.038 -7.506 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.720 -11.377 -4.691 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.484 -10.588 -5.690 1.00 0.00 H new ATOM 949 N CYS A 62 -4.887 -10.532 -7.119 1.00 0.00 N ATOM 950 CA CYS A 62 -6.278 -10.521 -6.744 1.00 0.00 C ATOM 951 C CYS A 62 -7.071 -11.006 -7.930 1.00 0.00 C ATOM 952 O CYS A 62 -7.224 -10.246 -8.894 1.00 0.00 O ATOM 953 CB CYS A 62 -6.761 -9.114 -6.311 1.00 0.00 C ATOM 954 SG CYS A 62 -6.315 -8.631 -4.601 1.00 0.00 S ATOM 955 OXT CYS A 62 -7.445 -12.198 -7.967 1.00 0.00 O ATOM 0 H CYS A 62 -4.735 -10.221 -8.078 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.421 -11.171 -5.881 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.347 -8.377 -7.000 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.845 -9.072 -6.413 1.00 0.00 H new TER 960 CYS A 62