USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 400 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 Single : A 9 THR OG1 : rot 26:sc= 0.00721 USER MOD Single : A 10 SER OG : rot 156:sc= 0.407 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -165:sc=-0.00248 (180deg=-0.199) USER MOD Single : A 13 THR OG1 : rot 156:sc= 0.474 USER MOD Single : A 14 CYS SG : rot -25:sc= 0.488 USER MOD Single : A 15 SER OG : rot 24:sc= 0.384 USER MOD Single : A 17 TYR OH : rot 171:sc= -0.481 USER MOD Single : A 18 GLN : amide:sc= -4 K(o=-4,f=-6.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0356 K(o=-0.036,f=-1.4!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.065) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -41:sc= -0.0555 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0.333 K(o=0.33,f=-2.9!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N THR A 9 4.336 -2.355 7.719 1.00 0.00 N ATOM 77 CA THR A 9 3.354 -3.225 7.082 1.00 0.00 C ATOM 78 C THR A 9 3.723 -3.498 5.628 1.00 0.00 C ATOM 79 O THR A 9 3.852 -2.573 4.826 1.00 0.00 O ATOM 80 CB THR A 9 1.942 -2.612 7.136 1.00 0.00 C ATOM 81 OG1 THR A 9 1.486 -2.551 8.491 1.00 0.00 O ATOM 82 CG2 THR A 9 0.966 -3.428 6.302 1.00 0.00 C ATOM 0 HA THR A 9 3.356 -4.163 7.636 1.00 0.00 H new ATOM 0 HB THR A 9 1.991 -1.604 6.725 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.257 -2.504 9.094 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.024 -2.976 6.355 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.301 -3.447 5.265 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.921 -4.447 6.687 1.00 0.00 H new ATOM 90 N SER A 10 3.890 -4.773 5.294 1.00 0.00 N ATOM 91 CA SER A 10 4.246 -5.168 3.937 1.00 0.00 C ATOM 92 C SER A 10 2.999 -5.342 3.076 1.00 0.00 C ATOM 93 O SER A 10 2.063 -6.047 3.455 1.00 0.00 O ATOM 94 CB SER A 10 5.052 -6.468 3.956 1.00 0.00 C ATOM 95 OG SER A 10 4.206 -7.590 4.144 1.00 0.00 O ATOM 0 H SER A 10 3.784 -5.551 5.945 1.00 0.00 H new ATOM 0 HA SER A 10 4.857 -4.376 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.599 -6.574 3.019 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.792 -6.429 4.755 1.00 0.00 H new ATOM 0 HG SER A 10 4.642 -8.392 3.786 1.00 0.00 H new ATOM 101 N TYR A 11 2.993 -4.695 1.916 1.00 0.00 N ATOM 102 CA TYR A 11 1.860 -4.775 1.002 1.00 0.00 C ATOM 103 C TYR A 11 2.240 -5.524 -0.272 1.00 0.00 C ATOM 104 O TYR A 11 3.407 -5.849 -0.489 1.00 0.00 O ATOM 105 CB TYR A 11 1.360 -3.372 0.652 1.00 0.00 C ATOM 106 CG TYR A 11 0.755 -2.635 1.825 1.00 0.00 C ATOM 107 CD1 TYR A 11 1.541 -2.228 2.896 1.00 0.00 C ATOM 108 CD2 TYR A 11 -0.604 -2.345 1.863 1.00 0.00 C ATOM 109 CE1 TYR A 11 0.992 -1.555 3.970 1.00 0.00 C ATOM 110 CE2 TYR A 11 -1.161 -1.671 2.933 1.00 0.00 C ATOM 111 CZ TYR A 11 -0.359 -1.279 3.984 1.00 0.00 C ATOM 112 OH TYR A 11 -0.909 -0.607 5.051 1.00 0.00 O ATOM 0 H TYR A 11 3.760 -4.109 1.586 1.00 0.00 H new ATOM 0 HA TYR A 11 1.061 -5.324 1.501 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.191 -2.788 0.256 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.616 -3.448 -0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.600 -2.442 2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.235 -2.652 1.042 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.618 -1.247 4.795 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.219 -1.452 2.946 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.871 -0.492 4.904 1.00 0.00 H new ATOM 122 N MET A 12 1.245 -5.792 -1.112 1.00 0.00 N ATOM 123 CA MET A 12 1.475 -6.501 -2.365 1.00 0.00 C ATOM 124 C MET A 12 1.125 -5.619 -3.560 1.00 0.00 C ATOM 125 O MET A 12 0.031 -5.058 -3.632 1.00 0.00 O ATOM 126 CB MET A 12 0.648 -7.788 -2.407 1.00 0.00 C ATOM 127 CG MET A 12 1.261 -8.930 -1.612 1.00 0.00 C ATOM 128 SD MET A 12 2.675 -9.675 -2.445 1.00 0.00 S ATOM 129 CE MET A 12 1.855 -10.613 -3.731 1.00 0.00 C ATOM 0 H MET A 12 0.273 -5.529 -0.948 1.00 0.00 H new ATOM 0 HA MET A 12 2.533 -6.756 -2.421 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.350 -7.582 -2.021 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.530 -8.101 -3.444 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.573 -8.561 -0.635 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.503 -9.694 -1.437 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.554 -11.331 -4.159 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.003 -11.144 -3.307 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.508 -9.935 -4.511 1.00 0.00 H new ATOM 139 N THR A 13 2.060 -5.502 -4.497 1.00 0.00 N ATOM 140 CA THR A 13 1.852 -4.688 -5.688 1.00 0.00 C ATOM 141 C THR A 13 0.885 -5.363 -6.653 1.00 0.00 C ATOM 142 O THR A 13 1.085 -6.514 -7.043 1.00 0.00 O ATOM 143 CB THR A 13 3.179 -4.410 -6.418 1.00 0.00 C ATOM 144 OG1 THR A 13 3.648 -5.606 -7.052 1.00 0.00 O ATOM 145 CG2 THR A 13 4.233 -3.897 -5.450 1.00 0.00 C ATOM 0 H THR A 13 2.970 -5.961 -4.454 1.00 0.00 H new ATOM 0 HA THR A 13 1.426 -3.742 -5.354 1.00 0.00 H new ATOM 0 HB THR A 13 3.000 -3.644 -7.173 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.240 -5.371 -7.797 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.161 -3.708 -5.989 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.885 -2.972 -4.991 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.409 -4.643 -4.675 1.00 0.00 H new ATOM 153 N CYS A 14 -0.163 -4.641 -7.035 1.00 0.00 N ATOM 154 CA CYS A 14 -1.162 -5.172 -7.956 1.00 0.00 C ATOM 155 C CYS A 14 -0.854 -4.757 -9.391 1.00 0.00 C ATOM 156 O CYS A 14 -1.460 -5.259 -10.337 1.00 0.00 O ATOM 157 CB CYS A 14 -2.558 -4.688 -7.561 1.00 0.00 C ATOM 158 SG CYS A 14 -3.872 -5.231 -8.678 1.00 0.00 S ATOM 0 H CYS A 14 -0.343 -3.687 -6.722 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.132 -6.260 -7.897 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.782 -5.042 -6.555 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.556 -3.599 -7.523 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.372 -5.465 -9.855 1.00 0.00 H new ATOM 164 N SER A 15 0.091 -3.835 -9.544 1.00 0.00 N ATOM 165 CA SER A 15 0.476 -3.348 -10.864 1.00 0.00 C ATOM 166 C SER A 15 1.920 -2.853 -10.860 1.00 0.00 C ATOM 167 O SER A 15 2.484 -2.559 -9.807 1.00 0.00 O ATOM 168 CB SER A 15 -0.460 -2.222 -11.308 1.00 0.00 C ATOM 169 OG SER A 15 -1.644 -2.742 -11.887 1.00 0.00 O ATOM 0 H SER A 15 0.604 -3.410 -8.771 1.00 0.00 H new ATOM 0 HA SER A 15 0.396 -4.176 -11.568 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.714 -1.597 -10.452 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.051 -1.583 -12.028 1.00 0.00 H new ATOM 0 HG SER A 15 -1.797 -3.652 -11.557 1.00 0.00 H new ATOM 175 N ALA A 16 2.511 -2.763 -12.047 1.00 0.00 N ATOM 176 CA ALA A 16 3.887 -2.302 -12.182 1.00 0.00 C ATOM 177 C ALA A 16 3.963 -0.780 -12.141 1.00 0.00 C ATOM 178 O ALA A 16 3.337 -0.095 -12.951 1.00 0.00 O ATOM 179 CB ALA A 16 4.495 -2.828 -13.474 1.00 0.00 C ATOM 0 H ALA A 16 2.058 -3.003 -12.929 1.00 0.00 H new ATOM 0 HA ALA A 16 4.459 -2.691 -11.339 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.523 -2.476 -13.562 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.484 -3.918 -13.464 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.914 -2.467 -14.323 1.00 0.00 H new ATOM 185 N TYR A 17 4.731 -0.256 -11.193 1.00 0.00 N ATOM 186 CA TYR A 17 4.886 1.186 -11.044 1.00 0.00 C ATOM 187 C TYR A 17 6.179 1.665 -11.696 1.00 0.00 C ATOM 188 O TYR A 17 7.262 1.167 -11.391 1.00 0.00 O ATOM 189 CB TYR A 17 4.876 1.571 -9.563 1.00 0.00 C ATOM 190 CG TYR A 17 5.588 2.872 -9.271 1.00 0.00 C ATOM 191 CD1 TYR A 17 6.971 2.919 -9.153 1.00 0.00 C ATOM 192 CD2 TYR A 17 4.877 4.056 -9.114 1.00 0.00 C ATOM 193 CE1 TYR A 17 7.626 4.105 -8.885 1.00 0.00 C ATOM 194 CE2 TYR A 17 5.523 5.247 -8.848 1.00 0.00 C ATOM 195 CZ TYR A 17 6.898 5.267 -8.734 1.00 0.00 C ATOM 196 OH TYR A 17 7.546 6.451 -8.469 1.00 0.00 O ATOM 0 H TYR A 17 5.256 -0.809 -10.516 1.00 0.00 H new ATOM 0 HA TYR A 17 4.047 1.669 -11.544 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.843 1.648 -9.223 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.343 0.773 -8.986 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.545 2.012 -9.273 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.801 4.044 -9.202 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.702 4.123 -8.794 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.955 6.158 -8.730 1.00 0.00 H new ATOM 0 HH TYR A 17 6.910 7.194 -8.534 1.00 0.00 H new ATOM 206 N GLN A 18 6.056 2.636 -12.596 1.00 0.00 N ATOM 207 CA GLN A 18 7.214 3.184 -13.292 1.00 0.00 C ATOM 208 C GLN A 18 7.794 4.372 -12.532 1.00 0.00 C ATOM 209 O GLN A 18 7.126 5.389 -12.345 1.00 0.00 O ATOM 210 CB GLN A 18 6.829 3.608 -14.710 1.00 0.00 C ATOM 211 CG GLN A 18 8.015 4.035 -15.560 1.00 0.00 C ATOM 212 CD GLN A 18 8.393 5.488 -15.347 1.00 0.00 C ATOM 213 OE1 GLN A 18 7.715 6.218 -14.624 1.00 0.00 O ATOM 214 NE2 GLN A 18 9.481 5.915 -15.977 1.00 0.00 N ATOM 0 H GLN A 18 5.166 3.059 -12.860 1.00 0.00 H new ATOM 0 HA GLN A 18 7.975 2.406 -13.348 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.319 2.780 -15.202 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.118 4.432 -14.654 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.871 3.403 -15.326 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.779 3.875 -16.612 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.013 5.275 -16.567 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.785 6.883 -15.871 1.00 0.00 H new ATOM 223 N LYS A 19 9.042 4.237 -12.096 1.00 0.00 N ATOM 224 CA LYS A 19 9.714 5.299 -11.357 1.00 0.00 C ATOM 225 C LYS A 19 9.998 6.495 -12.260 1.00 0.00 C ATOM 226 O LYS A 19 10.215 6.340 -13.462 1.00 0.00 O ATOM 227 CB LYS A 19 11.021 4.780 -10.753 1.00 0.00 C ATOM 228 CG LYS A 19 12.071 4.425 -11.791 1.00 0.00 C ATOM 229 CD LYS A 19 13.454 4.316 -11.170 1.00 0.00 C ATOM 230 CE LYS A 19 14.173 5.656 -11.174 1.00 0.00 C ATOM 231 NZ LYS A 19 14.869 5.909 -12.466 1.00 0.00 N ATOM 0 H LYS A 19 9.609 3.402 -12.242 1.00 0.00 H new ATOM 0 HA LYS A 19 9.053 5.623 -10.553 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.427 5.537 -10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.807 3.899 -10.148 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.809 3.480 -12.266 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.081 5.183 -12.574 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.367 3.952 -10.146 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.044 3.583 -11.720 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.455 6.454 -10.986 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.898 5.682 -10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.347 6.832 -12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.573 5.162 -12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.174 5.910 -13.240 1.00 0.00 H new ATOM 245 N VAL A 20 9.996 7.688 -11.674 1.00 0.00 N ATOM 246 CA VAL A 20 10.256 8.910 -12.426 1.00 0.00 C ATOM 247 C VAL A 20 11.504 9.617 -11.909 1.00 0.00 C ATOM 248 O VAL A 20 12.126 10.400 -12.626 1.00 0.00 O ATOM 249 CB VAL A 20 9.062 9.879 -12.351 1.00 0.00 C ATOM 250 CG1 VAL A 20 8.830 10.333 -10.918 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.288 11.073 -13.267 1.00 0.00 C ATOM 0 H VAL A 20 9.817 7.834 -10.681 1.00 0.00 H new ATOM 0 HA VAL A 20 10.411 8.617 -13.464 1.00 0.00 H new ATOM 0 HB VAL A 20 8.169 9.354 -12.689 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.982 11.017 -10.886 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.621 9.466 -10.291 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.721 10.841 -10.549 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.435 11.748 -13.202 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.192 11.600 -12.961 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.400 10.727 -14.295 1.00 0.00 H new ATOM 261 N GLN A 21 11.864 9.335 -10.662 1.00 0.00 N ATOM 262 CA GLN A 21 13.039 9.945 -10.049 1.00 0.00 C ATOM 263 C GLN A 21 14.029 8.880 -9.591 1.00 0.00 C ATOM 264 O GLN A 21 13.641 7.760 -9.257 1.00 0.00 O ATOM 265 CB GLN A 21 12.626 10.818 -8.863 1.00 0.00 C ATOM 266 CG GLN A 21 11.931 12.108 -9.270 1.00 0.00 C ATOM 267 CD GLN A 21 12.896 13.145 -9.809 1.00 0.00 C ATOM 268 OE1 GLN A 21 14.113 12.998 -9.693 1.00 0.00 O ATOM 269 NE2 GLN A 21 12.357 14.203 -10.404 1.00 0.00 N ATOM 0 H GLN A 21 11.360 8.688 -10.056 1.00 0.00 H new ATOM 0 HA GLN A 21 13.526 10.569 -10.798 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.962 10.246 -8.215 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.512 11.062 -8.276 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.179 11.888 -10.028 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.404 12.520 -8.409 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.343 14.285 -10.478 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.957 14.934 -10.787 1.00 0.00 H new ATOM 278 N ASP A 22 15.309 9.235 -9.579 1.00 0.00 N ATOM 279 CA ASP A 22 16.356 8.310 -9.161 1.00 0.00 C ATOM 280 C ASP A 22 16.048 7.726 -7.786 1.00 0.00 C ATOM 281 O ASP A 22 16.405 6.585 -7.491 1.00 0.00 O ATOM 282 CB ASP A 22 17.711 9.018 -9.136 1.00 0.00 C ATOM 283 CG ASP A 22 18.333 9.127 -10.514 1.00 0.00 C ATOM 284 OD1 ASP A 22 18.223 8.156 -11.293 1.00 0.00 O ATOM 285 OD2 ASP A 22 18.930 10.182 -10.815 1.00 0.00 O ATOM 0 H ASP A 22 15.647 10.157 -9.854 1.00 0.00 H new ATOM 0 HA ASP A 22 16.395 7.494 -9.882 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.588 10.016 -8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.389 8.476 -8.477 1.00 0.00 H new ATOM 290 N SER A 23 15.383 8.516 -6.948 1.00 0.00 N ATOM 291 CA SER A 23 15.031 8.079 -5.602 1.00 0.00 C ATOM 292 C SER A 23 14.021 6.936 -5.649 1.00 0.00 C ATOM 293 O SER A 23 14.218 5.894 -5.025 1.00 0.00 O ATOM 294 CB SER A 23 14.460 9.247 -4.797 1.00 0.00 C ATOM 295 OG SER A 23 15.402 10.301 -4.689 1.00 0.00 O ATOM 0 H SER A 23 15.077 9.462 -7.178 1.00 0.00 H new ATOM 0 HA SER A 23 15.937 7.720 -5.114 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.552 9.614 -5.276 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.178 8.903 -3.802 1.00 0.00 H new ATOM 0 HG SER A 23 15.012 11.036 -4.171 1.00 0.00 H new ATOM 301 N GLU A 24 12.939 7.142 -6.393 1.00 0.00 N ATOM 302 CA GLU A 24 11.897 6.130 -6.520 1.00 0.00 C ATOM 303 C GLU A 24 12.432 4.882 -7.217 1.00 0.00 C ATOM 304 O GLU A 24 13.451 4.933 -7.907 1.00 0.00 O ATOM 305 CB GLU A 24 10.704 6.689 -7.299 1.00 0.00 C ATOM 306 CG GLU A 24 9.913 7.735 -6.531 1.00 0.00 C ATOM 307 CD GLU A 24 9.135 8.664 -7.444 1.00 0.00 C ATOM 308 OE1 GLU A 24 9.613 8.928 -8.567 1.00 0.00 O ATOM 309 OE2 GLU A 24 8.050 9.127 -7.035 1.00 0.00 O ATOM 0 H GLU A 24 12.761 7.999 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 24 11.571 5.854 -5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.062 7.128 -8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.039 5.868 -7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.222 7.236 -5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.595 8.323 -5.917 1.00 0.00 H new ATOM 316 N ILE A 25 11.739 3.764 -7.030 1.00 0.00 N ATOM 317 CA ILE A 25 12.145 2.504 -7.640 1.00 0.00 C ATOM 318 C ILE A 25 10.963 1.813 -8.311 1.00 0.00 C ATOM 319 O ILE A 25 9.852 1.804 -7.780 1.00 0.00 O ATOM 320 CB ILE A 25 12.761 1.548 -6.601 1.00 0.00 C ATOM 321 CG1 ILE A 25 12.681 0.102 -7.095 1.00 0.00 C ATOM 322 CG2 ILE A 25 12.056 1.696 -5.261 1.00 0.00 C ATOM 323 CD1 ILE A 25 11.356 -0.564 -6.801 1.00 0.00 C ATOM 0 H ILE A 25 10.894 3.705 -6.461 1.00 0.00 H new ATOM 0 HA ILE A 25 12.897 2.745 -8.391 1.00 0.00 H new ATOM 0 HB ILE A 25 13.811 1.808 -6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.857 0.084 -8.171 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.480 -0.477 -6.631 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.503 1.014 -4.538 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.161 2.721 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.999 1.459 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.371 -1.586 -7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.187 -0.578 -5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.554 -0.009 -7.287 1.00 0.00 H new ATOM 335 N SER A 26 11.210 1.232 -9.481 1.00 0.00 N ATOM 336 CA SER A 26 10.166 0.540 -10.226 1.00 0.00 C ATOM 337 C SER A 26 10.145 -0.946 -9.879 1.00 0.00 C ATOM 338 O SER A 26 11.189 -1.595 -9.815 1.00 0.00 O ATOM 339 CB SER A 26 10.378 0.720 -11.731 1.00 0.00 C ATOM 340 OG SER A 26 11.554 0.058 -12.163 1.00 0.00 O ATOM 0 H SER A 26 12.124 1.227 -9.933 1.00 0.00 H new ATOM 0 HA SER A 26 9.206 0.975 -9.947 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.517 0.328 -12.272 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.447 1.782 -11.967 1.00 0.00 H new ATOM 0 HG SER A 26 11.666 0.187 -13.128 1.00 0.00 H new ATOM 346 N PHE A 27 8.947 -1.478 -9.657 1.00 0.00 N ATOM 347 CA PHE A 27 8.789 -2.887 -9.315 1.00 0.00 C ATOM 348 C PHE A 27 7.724 -3.542 -10.190 1.00 0.00 C ATOM 349 O PHE A 27 6.747 -2.914 -10.599 1.00 0.00 O ATOM 350 CB PHE A 27 8.414 -3.036 -7.839 1.00 0.00 C ATOM 351 CG PHE A 27 7.358 -2.069 -7.387 1.00 0.00 C ATOM 352 CD1 PHE A 27 7.708 -0.819 -6.902 1.00 0.00 C ATOM 353 CD2 PHE A 27 6.017 -2.409 -7.448 1.00 0.00 C ATOM 354 CE1 PHE A 27 6.738 0.073 -6.484 1.00 0.00 C ATOM 355 CE2 PHE A 27 5.042 -1.520 -7.033 1.00 0.00 C ATOM 356 CZ PHE A 27 5.404 -0.277 -6.551 1.00 0.00 C ATOM 0 H PHE A 27 8.073 -0.955 -9.708 1.00 0.00 H new ATOM 0 HA PHE A 27 9.740 -3.388 -9.494 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.063 -4.053 -7.663 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.307 -2.897 -7.230 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.750 -0.539 -6.850 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.729 -3.380 -7.824 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.024 1.043 -6.105 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.999 -1.797 -7.086 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.645 0.420 -6.227 1.00 0.00 H new ATOM 366 N PRO A 28 7.916 -4.836 -10.485 1.00 0.00 N ATOM 367 CA PRO A 28 6.983 -5.606 -11.314 1.00 0.00 C ATOM 368 C PRO A 28 5.656 -5.862 -10.608 1.00 0.00 C ATOM 369 O PRO A 28 5.513 -5.592 -9.416 1.00 0.00 O ATOM 370 CB PRO A 28 7.725 -6.923 -11.552 1.00 0.00 C ATOM 371 CG PRO A 28 8.653 -7.051 -10.394 1.00 0.00 C ATOM 372 CD PRO A 28 9.057 -5.649 -10.031 1.00 0.00 C ATOM 0 HA PRO A 28 6.720 -5.077 -12.230 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.033 -7.764 -11.599 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.270 -6.905 -12.496 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.164 -7.546 -9.555 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.523 -7.653 -10.656 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.224 -5.544 -8.959 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.982 -5.356 -10.528 1.00 0.00 H new ATOM 380 N ALA A 29 4.687 -6.386 -11.352 1.00 0.00 N ATOM 381 CA ALA A 29 3.372 -6.681 -10.797 1.00 0.00 C ATOM 382 C ALA A 29 3.313 -8.103 -10.251 1.00 0.00 C ATOM 383 O ALA A 29 3.182 -9.064 -11.007 1.00 0.00 O ATOM 384 CB ALA A 29 2.295 -6.473 -11.851 1.00 0.00 C ATOM 0 H ALA A 29 4.788 -6.615 -12.341 1.00 0.00 H new ATOM 0 HA ALA A 29 3.192 -5.994 -9.970 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.318 -6.697 -11.422 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.313 -5.437 -12.191 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.481 -7.135 -12.697 1.00 0.00 H new ATOM 390 N GLY A 30 3.412 -8.230 -8.931 1.00 0.00 N ATOM 391 CA GLY A 30 3.369 -9.540 -8.306 1.00 0.00 C ATOM 392 C GLY A 30 4.478 -9.734 -7.291 1.00 0.00 C ATOM 393 O GLY A 30 4.992 -10.841 -7.126 1.00 0.00 O ATOM 0 H GLY A 30 3.521 -7.450 -8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.405 -9.674 -7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.446 -10.309 -9.075 1.00 0.00 H new ATOM 397 N VAL A 31 4.849 -8.656 -6.608 1.00 0.00 N ATOM 398 CA VAL A 31 5.904 -8.713 -5.603 1.00 0.00 C ATOM 399 C VAL A 31 5.468 -8.035 -4.310 1.00 0.00 C ATOM 400 O VAL A 31 4.596 -7.167 -4.316 1.00 0.00 O ATOM 401 CB VAL A 31 7.197 -8.046 -6.109 1.00 0.00 C ATOM 402 CG1 VAL A 31 7.884 -8.926 -7.142 1.00 0.00 C ATOM 403 CG2 VAL A 31 6.897 -6.670 -6.685 1.00 0.00 C ATOM 0 H VAL A 31 4.435 -7.732 -6.732 1.00 0.00 H new ATOM 0 HA VAL A 31 6.100 -9.767 -5.409 1.00 0.00 H new ATOM 0 HB VAL A 31 7.875 -7.922 -5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.795 -8.438 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.135 -9.887 -6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.215 -9.085 -7.987 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.822 -6.214 -7.038 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.200 -6.768 -7.518 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.453 -6.041 -5.913 1.00 0.00 H new ATOM 413 N GLU A 32 6.083 -8.436 -3.201 1.00 0.00 N ATOM 414 CA GLU A 32 5.757 -7.867 -1.899 1.00 0.00 C ATOM 415 C GLU A 32 6.756 -6.778 -1.516 1.00 0.00 C ATOM 416 O GLU A 32 7.944 -6.875 -1.823 1.00 0.00 O ATOM 417 CB GLU A 32 5.742 -8.960 -0.829 1.00 0.00 C ATOM 418 CG GLU A 32 5.360 -8.455 0.553 1.00 0.00 C ATOM 419 CD GLU A 32 5.768 -9.410 1.657 1.00 0.00 C ATOM 420 OE1 GLU A 32 5.584 -10.633 1.481 1.00 0.00 O ATOM 421 OE2 GLU A 32 6.271 -8.936 2.697 1.00 0.00 O ATOM 0 H GLU A 32 6.809 -9.152 -3.179 1.00 0.00 H new ATOM 0 HA GLU A 32 4.765 -7.420 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.041 -9.740 -1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.729 -9.420 -0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.829 -7.486 0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.282 -8.299 0.593 1.00 0.00 H new ATOM 428 N VAL A 33 6.264 -5.742 -0.844 1.00 0.00 N ATOM 429 CA VAL A 33 7.112 -4.635 -0.418 1.00 0.00 C ATOM 430 C VAL A 33 6.872 -4.291 1.048 1.00 0.00 C ATOM 431 O VAL A 33 6.000 -4.869 1.696 1.00 0.00 O ATOM 432 CB VAL A 33 6.868 -3.379 -1.275 1.00 0.00 C ATOM 433 CG1 VAL A 33 7.393 -3.587 -2.688 1.00 0.00 C ATOM 434 CG2 VAL A 33 5.389 -3.027 -1.294 1.00 0.00 C ATOM 0 H VAL A 33 5.283 -5.646 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 33 8.144 -4.959 -0.548 1.00 0.00 H new ATOM 0 HB VAL A 33 7.411 -2.545 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.212 -2.689 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.464 -3.788 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.880 -4.433 -3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.235 -2.137 -1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.823 -3.858 -1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.048 -2.833 -0.277 1.00 0.00 H new ATOM 444 N GLN A 34 7.651 -3.346 1.564 1.00 0.00 N ATOM 445 CA GLN A 34 7.523 -2.925 2.954 1.00 0.00 C ATOM 446 C GLN A 34 7.379 -1.410 3.053 1.00 0.00 C ATOM 447 O GLN A 34 8.291 -0.665 2.694 1.00 0.00 O ATOM 448 CB GLN A 34 8.736 -3.388 3.763 1.00 0.00 C ATOM 449 CG GLN A 34 8.648 -3.044 5.241 1.00 0.00 C ATOM 450 CD GLN A 34 9.939 -3.328 5.984 1.00 0.00 C ATOM 451 OE1 GLN A 34 10.690 -4.234 5.622 1.00 0.00 O ATOM 452 NE2 GLN A 34 10.203 -2.554 7.029 1.00 0.00 N ATOM 0 H GLN A 34 8.377 -2.857 1.040 1.00 0.00 H new ATOM 0 HA GLN A 34 6.624 -3.385 3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.844 -4.467 3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.635 -2.935 3.346 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.395 -1.989 5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.838 -3.615 5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.552 -1.815 7.293 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.057 -2.698 7.568 1.00 0.00 H new ATOM 461 N VAL A 35 6.228 -0.961 3.542 1.00 0.00 N ATOM 462 CA VAL A 35 5.964 0.466 3.689 1.00 0.00 C ATOM 463 C VAL A 35 6.674 1.032 4.913 1.00 0.00 C ATOM 464 O VAL A 35 6.141 1.001 6.023 1.00 0.00 O ATOM 465 CB VAL A 35 4.455 0.749 3.807 1.00 0.00 C ATOM 466 CG1 VAL A 35 4.209 2.221 4.098 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.732 0.319 2.539 1.00 0.00 C ATOM 0 H VAL A 35 5.463 -1.565 3.843 1.00 0.00 H new ATOM 0 HA VAL A 35 6.347 0.953 2.792 1.00 0.00 H new ATOM 0 HB VAL A 35 4.058 0.168 4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.137 2.402 4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.694 2.492 5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.620 2.825 3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.667 0.526 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.130 0.871 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.880 -0.749 2.380 1.00 0.00 H new ATOM 477 N LEU A 36 7.879 1.551 4.704 1.00 0.00 N ATOM 478 CA LEU A 36 8.663 2.126 5.792 1.00 0.00 C ATOM 479 C LEU A 36 7.916 3.282 6.449 1.00 0.00 C ATOM 480 O LEU A 36 7.822 3.355 7.674 1.00 0.00 O ATOM 481 CB LEU A 36 10.017 2.611 5.269 1.00 0.00 C ATOM 482 CG LEU A 36 10.961 1.527 4.746 1.00 0.00 C ATOM 483 CD1 LEU A 36 12.154 2.154 4.042 1.00 0.00 C ATOM 484 CD2 LEU A 36 11.422 0.627 5.883 1.00 0.00 C ATOM 0 H LEU A 36 8.334 1.586 3.792 1.00 0.00 H new ATOM 0 HA LEU A 36 8.825 1.350 6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.839 3.328 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.522 3.149 6.071 1.00 0.00 H new ATOM 0 HG LEU A 36 10.419 0.916 4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.815 1.368 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.806 2.755 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.697 2.789 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.093 -0.138 5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.947 1.223 6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.557 0.150 6.343 1.00 0.00 H new ATOM 496 N GLU A 37 7.385 4.181 5.627 1.00 0.00 N ATOM 497 CA GLU A 37 6.645 5.333 6.130 1.00 0.00 C ATOM 498 C GLU A 37 5.552 5.748 5.149 1.00 0.00 C ATOM 499 O GLU A 37 5.644 5.482 3.950 1.00 0.00 O ATOM 500 CB GLU A 37 7.593 6.507 6.381 1.00 0.00 C ATOM 501 CG GLU A 37 6.988 7.605 7.238 1.00 0.00 C ATOM 502 CD GLU A 37 6.835 7.195 8.690 1.00 0.00 C ATOM 503 OE1 GLU A 37 7.751 6.532 9.220 1.00 0.00 O ATOM 504 OE2 GLU A 37 5.798 7.538 9.296 1.00 0.00 O ATOM 0 H GLU A 37 7.453 4.134 4.610 1.00 0.00 H new ATOM 0 HA GLU A 37 6.175 5.048 7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.497 6.136 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.895 6.930 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.616 8.494 7.180 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.012 7.878 6.837 1.00 0.00 H new ATOM 511 N LYS A 38 4.517 6.401 5.667 1.00 0.00 N ATOM 512 CA LYS A 38 3.406 6.855 4.839 1.00 0.00 C ATOM 513 C LYS A 38 3.241 8.368 4.932 1.00 0.00 C ATOM 514 O LYS A 38 3.297 8.941 6.020 1.00 0.00 O ATOM 515 CB LYS A 38 2.110 6.162 5.265 1.00 0.00 C ATOM 516 CG LYS A 38 1.913 4.796 4.632 1.00 0.00 C ATOM 517 CD LYS A 38 0.445 4.410 4.583 1.00 0.00 C ATOM 518 CE LYS A 38 0.023 3.661 5.838 1.00 0.00 C ATOM 519 NZ LYS A 38 -1.413 3.886 6.162 1.00 0.00 N ATOM 0 H LYS A 38 4.425 6.628 6.657 1.00 0.00 H new ATOM 0 HA LYS A 38 3.626 6.595 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.105 6.054 6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.265 6.799 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.323 4.800 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.468 4.048 5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.164 5.307 4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.260 3.788 3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.202 2.594 5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.639 3.983 6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.661 3.359 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.579 4.901 6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.003 3.556 5.372 1.00 0.00 H new ATOM 533 N GLN A 39 3.036 9.008 3.785 1.00 0.00 N ATOM 534 CA GLN A 39 2.862 10.455 3.739 1.00 0.00 C ATOM 535 C GLN A 39 1.387 10.822 3.606 1.00 0.00 C ATOM 536 O GLN A 39 0.616 10.107 2.968 1.00 0.00 O ATOM 537 CB GLN A 39 3.654 11.049 2.573 1.00 0.00 C ATOM 538 CG GLN A 39 5.159 11.026 2.787 1.00 0.00 C ATOM 539 CD GLN A 39 5.614 12.017 3.840 1.00 0.00 C ATOM 540 OE1 GLN A 39 6.273 11.649 4.813 1.00 0.00 O ATOM 541 NE2 GLN A 39 5.264 13.285 3.651 1.00 0.00 N ATOM 0 H GLN A 39 2.986 8.548 2.876 1.00 0.00 H new ATOM 0 HA GLN A 39 3.239 10.870 4.674 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.416 10.497 1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.333 12.079 2.414 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.465 10.022 3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.660 11.248 1.844 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.717 13.546 2.830 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.542 13.997 4.326 1.00 0.00 H new ATOM 550 N GLU A 40 1.004 11.941 4.214 1.00 0.00 N ATOM 551 CA GLU A 40 -0.379 12.401 4.164 1.00 0.00 C ATOM 552 C GLU A 40 -0.815 12.656 2.724 1.00 0.00 C ATOM 553 O GLU A 40 -1.967 12.416 2.361 1.00 0.00 O ATOM 554 CB GLU A 40 -0.546 13.676 4.992 1.00 0.00 C ATOM 555 CG GLU A 40 0.282 14.845 4.484 1.00 0.00 C ATOM 556 CD GLU A 40 0.548 15.882 5.558 1.00 0.00 C ATOM 557 OE1 GLU A 40 0.755 15.487 6.725 1.00 0.00 O ATOM 558 OE2 GLU A 40 0.549 17.087 5.233 1.00 0.00 O ATOM 0 H GLU A 40 1.631 12.545 4.746 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.011 11.619 4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.598 13.961 4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.269 13.467 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.232 14.473 4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.236 15.317 3.649 1.00 0.00 H new ATOM 565 N SER A 41 0.113 13.145 1.908 1.00 0.00 N ATOM 566 CA SER A 41 -0.176 13.437 0.509 1.00 0.00 C ATOM 567 C SER A 41 -0.812 12.233 -0.178 1.00 0.00 C ATOM 568 O SER A 41 -1.969 12.281 -0.593 1.00 0.00 O ATOM 569 CB SER A 41 1.105 13.839 -0.225 1.00 0.00 C ATOM 570 OG SER A 41 1.609 15.069 0.265 1.00 0.00 O ATOM 0 H SER A 41 1.072 13.347 2.192 1.00 0.00 H new ATOM 0 HA SER A 41 -0.882 14.267 0.476 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.857 13.060 -0.103 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.904 13.924 -1.293 1.00 0.00 H new ATOM 0 HG SER A 41 2.428 15.303 -0.219 1.00 0.00 H new ATOM 576 N GLY A 42 -0.046 11.152 -0.293 1.00 0.00 N ATOM 577 CA GLY A 42 -0.551 9.950 -0.930 1.00 0.00 C ATOM 578 C GLY A 42 0.550 8.959 -1.254 1.00 0.00 C ATOM 579 O GLY A 42 0.334 7.748 -1.220 1.00 0.00 O ATOM 0 H GLY A 42 0.915 11.088 0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.282 9.475 -0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.073 10.221 -1.848 1.00 0.00 H new ATOM 583 N TRP A 43 1.732 9.474 -1.571 1.00 0.00 N ATOM 584 CA TRP A 43 2.871 8.626 -1.904 1.00 0.00 C ATOM 585 C TRP A 43 3.505 8.046 -0.645 1.00 0.00 C ATOM 586 O TRP A 43 3.771 8.769 0.316 1.00 0.00 O ATOM 587 CB TRP A 43 3.911 9.421 -2.694 1.00 0.00 C ATOM 588 CG TRP A 43 3.475 9.747 -4.091 1.00 0.00 C ATOM 589 CD1 TRP A 43 2.547 10.678 -4.463 1.00 0.00 C ATOM 590 CD2 TRP A 43 3.947 9.142 -5.299 1.00 0.00 C ATOM 591 NE1 TRP A 43 2.414 10.688 -5.831 1.00 0.00 N ATOM 592 CE2 TRP A 43 3.263 9.756 -6.367 1.00 0.00 C ATOM 593 CE3 TRP A 43 4.883 8.144 -5.584 1.00 0.00 C ATOM 594 CZ2 TRP A 43 3.486 9.401 -7.695 1.00 0.00 C ATOM 595 CZ3 TRP A 43 5.102 7.793 -6.902 1.00 0.00 C ATOM 596 CH2 TRP A 43 4.407 8.420 -7.944 1.00 0.00 C ATOM 0 H TRP A 43 1.927 10.475 -1.605 1.00 0.00 H new ATOM 0 HA TRP A 43 2.510 7.801 -2.519 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.129 10.348 -2.164 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.839 8.851 -2.735 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.999 11.313 -3.783 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.785 11.291 -6.361 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.425 7.656 -4.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.951 9.883 -8.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.822 7.022 -7.133 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.602 8.123 -8.964 1.00 0.00 H new ATOM 607 N TRP A 44 3.744 6.740 -0.656 1.00 0.00 N ATOM 608 CA TRP A 44 4.348 6.064 0.487 1.00 0.00 C ATOM 609 C TRP A 44 5.737 5.540 0.138 1.00 0.00 C ATOM 610 O TRP A 44 6.014 5.210 -1.016 1.00 0.00 O ATOM 611 CB TRP A 44 3.457 4.912 0.953 1.00 0.00 C ATOM 612 CG TRP A 44 2.062 5.342 1.296 1.00 0.00 C ATOM 613 CD1 TRP A 44 1.614 6.622 1.452 1.00 0.00 C ATOM 614 CD2 TRP A 44 0.936 4.489 1.527 1.00 0.00 C ATOM 615 NE1 TRP A 44 0.276 6.617 1.766 1.00 0.00 N ATOM 616 CE2 TRP A 44 -0.164 5.321 1.817 1.00 0.00 C ATOM 617 CE3 TRP A 44 0.748 3.104 1.516 1.00 0.00 C ATOM 618 CZ2 TRP A 44 -1.430 4.811 2.094 1.00 0.00 C ATOM 619 CZ3 TRP A 44 -0.509 2.600 1.791 1.00 0.00 C ATOM 620 CH2 TRP A 44 -1.585 3.452 2.076 1.00 0.00 C ATOM 0 H TRP A 44 3.529 6.128 -1.443 1.00 0.00 H new ATOM 0 HA TRP A 44 4.446 6.788 1.296 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.414 4.155 0.170 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.910 4.442 1.826 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.222 7.508 1.344 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.297 7.444 1.934 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.571 2.439 1.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.260 5.465 2.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.665 1.531 1.786 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.556 3.027 2.286 1.00 0.00 H new ATOM 631 N TYR A 45 6.605 5.465 1.140 1.00 0.00 N ATOM 632 CA TYR A 45 7.966 4.982 0.937 1.00 0.00 C ATOM 633 C TYR A 45 8.036 3.467 1.097 1.00 0.00 C ATOM 634 O TYR A 45 7.954 2.943 2.208 1.00 0.00 O ATOM 635 CB TYR A 45 8.920 5.655 1.926 1.00 0.00 C ATOM 636 CG TYR A 45 10.363 5.649 1.474 1.00 0.00 C ATOM 637 CD1 TYR A 45 10.709 6.035 0.185 1.00 0.00 C ATOM 638 CD2 TYR A 45 11.380 5.257 2.335 1.00 0.00 C ATOM 639 CE1 TYR A 45 12.026 6.031 -0.233 1.00 0.00 C ATOM 640 CE2 TYR A 45 12.700 5.251 1.926 1.00 0.00 C ATOM 641 CZ TYR A 45 13.018 5.638 0.641 1.00 0.00 C ATOM 642 OH TYR A 45 14.331 5.632 0.230 1.00 0.00 O ATOM 0 H TYR A 45 6.391 5.732 2.101 1.00 0.00 H new ATOM 0 HA TYR A 45 8.267 5.236 -0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.601 6.686 2.082 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.847 5.150 2.889 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.935 6.344 -0.502 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.135 4.952 3.342 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.277 6.334 -1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.479 4.945 2.609 1.00 0.00 H new ATOM 0 HH TYR A 45 14.386 5.286 -0.685 1.00 0.00 H new ATOM 652 N VAL A 46 8.188 2.767 -0.023 1.00 0.00 N ATOM 653 CA VAL A 46 8.271 1.311 -0.010 1.00 0.00 C ATOM 654 C VAL A 46 9.718 0.842 -0.110 1.00 0.00 C ATOM 655 O VAL A 46 10.627 1.644 -0.327 1.00 0.00 O ATOM 656 CB VAL A 46 7.461 0.692 -1.164 1.00 0.00 C ATOM 657 CG1 VAL A 46 5.990 0.591 -0.791 1.00 0.00 C ATOM 658 CG2 VAL A 46 7.642 1.506 -2.437 1.00 0.00 C ATOM 0 H VAL A 46 8.256 3.185 -0.951 1.00 0.00 H new ATOM 0 HA VAL A 46 7.849 0.979 0.939 1.00 0.00 H new ATOM 0 HB VAL A 46 7.834 -0.316 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.434 0.151 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.881 -0.037 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.599 1.586 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.063 1.055 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.296 2.526 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.697 1.521 -2.712 1.00 0.00 H new ATOM 668 N ARG A 47 9.925 -0.461 0.049 1.00 0.00 N ATOM 669 CA ARG A 47 11.262 -1.037 -0.022 1.00 0.00 C ATOM 670 C ARG A 47 11.243 -2.362 -0.779 1.00 0.00 C ATOM 671 O ARG A 47 10.550 -3.302 -0.389 1.00 0.00 O ATOM 672 CB ARG A 47 11.825 -1.248 1.384 1.00 0.00 C ATOM 673 CG ARG A 47 13.199 -1.899 1.398 1.00 0.00 C ATOM 674 CD ARG A 47 13.505 -2.524 2.750 1.00 0.00 C ATOM 675 NE ARG A 47 14.674 -3.399 2.697 1.00 0.00 N ATOM 676 CZ ARG A 47 14.995 -4.256 3.660 1.00 0.00 C ATOM 677 NH1 ARG A 47 14.239 -4.352 4.745 1.00 0.00 N ATOM 678 NH2 ARG A 47 16.074 -5.018 3.538 1.00 0.00 N ATOM 0 H ARG A 47 9.183 -1.138 0.228 1.00 0.00 H new ATOM 0 HA ARG A 47 11.903 -0.339 -0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.883 -0.285 1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.133 -1.867 1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.249 -2.664 0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.958 -1.154 1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.675 -1.736 3.483 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.640 -3.094 3.090 1.00 0.00 H new ATOM 0 HE ARG A 47 15.277 -3.349 1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.409 -3.767 4.842 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.487 -5.011 5.483 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.658 -4.946 2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.320 -5.676 4.278 1.00 0.00 H new ATOM 692 N PHE A 48 12.008 -2.429 -1.863 1.00 0.00 N ATOM 693 CA PHE A 48 12.079 -3.638 -2.676 1.00 0.00 C ATOM 694 C PHE A 48 13.489 -4.221 -2.662 1.00 0.00 C ATOM 695 O PHE A 48 14.350 -3.811 -3.439 1.00 0.00 O ATOM 696 CB PHE A 48 11.653 -3.337 -4.114 1.00 0.00 C ATOM 697 CG PHE A 48 11.650 -4.547 -5.004 1.00 0.00 C ATOM 698 CD1 PHE A 48 10.895 -5.662 -4.679 1.00 0.00 C ATOM 699 CD2 PHE A 48 12.403 -4.569 -6.167 1.00 0.00 C ATOM 700 CE1 PHE A 48 10.891 -6.776 -5.496 1.00 0.00 C ATOM 701 CE2 PHE A 48 12.404 -5.681 -6.988 1.00 0.00 C ATOM 702 CZ PHE A 48 11.646 -6.785 -6.653 1.00 0.00 C ATOM 0 H PHE A 48 12.588 -1.660 -2.199 1.00 0.00 H new ATOM 0 HA PHE A 48 11.397 -4.373 -2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.654 -2.900 -4.105 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.325 -2.588 -4.534 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.302 -5.660 -3.776 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.996 -3.707 -6.435 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.298 -7.639 -5.231 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.997 -5.686 -7.891 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.643 -7.654 -7.294 1.00 0.00 H new ATOM 712 N GLY A 49 13.717 -5.182 -1.772 1.00 0.00 N ATOM 713 CA GLY A 49 15.024 -5.806 -1.673 1.00 0.00 C ATOM 714 C GLY A 49 16.020 -4.949 -0.918 1.00 0.00 C ATOM 715 O GLY A 49 15.965 -4.856 0.308 1.00 0.00 O ATOM 0 H GLY A 49 13.021 -5.540 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 49 14.926 -6.770 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.406 -6.004 -2.675 1.00 0.00 H new ATOM 719 N GLU A 50 16.934 -4.321 -1.652 1.00 0.00 N ATOM 720 CA GLU A 50 17.948 -3.469 -1.042 1.00 0.00 C ATOM 721 C GLU A 50 17.725 -2.006 -1.415 1.00 0.00 C ATOM 722 O GLU A 50 18.427 -1.116 -0.932 1.00 0.00 O ATOM 723 CB GLU A 50 19.346 -3.911 -1.479 1.00 0.00 C ATOM 724 CG GLU A 50 19.701 -5.324 -1.047 1.00 0.00 C ATOM 725 CD GLU A 50 19.396 -5.580 0.416 1.00 0.00 C ATOM 726 OE1 GLU A 50 19.977 -4.884 1.274 1.00 0.00 O ATOM 727 OE2 GLU A 50 18.577 -6.478 0.702 1.00 0.00 O ATOM 0 H GLU A 50 16.993 -4.386 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 50 17.866 -3.566 0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 50 19.416 -3.844 -2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 50 20.081 -3.219 -1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.149 -6.037 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 50 20.761 -5.500 -1.230 1.00 0.00 H new ATOM 734 N LEU A 51 16.745 -1.765 -2.278 1.00 0.00 N ATOM 735 CA LEU A 51 16.428 -0.410 -2.718 1.00 0.00 C ATOM 736 C LEU A 51 15.163 0.102 -2.037 1.00 0.00 C ATOM 737 O LEU A 51 14.348 -0.682 -1.552 1.00 0.00 O ATOM 738 CB LEU A 51 16.254 -0.373 -4.237 1.00 0.00 C ATOM 739 CG LEU A 51 17.464 -0.812 -5.062 1.00 0.00 C ATOM 740 CD1 LEU A 51 17.585 -2.328 -5.068 1.00 0.00 C ATOM 741 CD2 LEU A 51 17.362 -0.279 -6.484 1.00 0.00 C ATOM 0 H LEU A 51 16.156 -2.490 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 51 17.257 0.239 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.409 -1.009 -4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.991 0.644 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 51 18.362 -0.398 -4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.452 -2.621 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.705 -2.687 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.685 -2.763 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.232 -0.601 -7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 51 16.456 -0.664 -6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.325 0.810 -6.463 1.00 0.00 H new ATOM 753 N GLU A 52 15.006 1.422 -2.006 1.00 0.00 N ATOM 754 CA GLU A 52 13.839 2.038 -1.386 1.00 0.00 C ATOM 755 C GLU A 52 13.330 3.206 -2.225 1.00 0.00 C ATOM 756 O GLU A 52 14.072 4.141 -2.522 1.00 0.00 O ATOM 757 CB GLU A 52 14.179 2.519 0.026 1.00 0.00 C ATOM 758 CG GLU A 52 14.683 1.416 0.941 1.00 0.00 C ATOM 759 CD GLU A 52 15.498 1.948 2.103 1.00 0.00 C ATOM 760 OE1 GLU A 52 16.161 2.993 1.933 1.00 0.00 O ATOM 761 OE2 GLU A 52 15.474 1.321 3.183 1.00 0.00 O ATOM 0 H GLU A 52 15.672 2.085 -2.403 1.00 0.00 H new ATOM 0 HA GLU A 52 13.052 1.287 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.936 3.300 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.292 2.971 0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.833 0.852 1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.292 0.720 0.364 1.00 0.00 H new ATOM 768 N GLY A 53 12.057 3.144 -2.604 1.00 0.00 N ATOM 769 CA GLY A 53 11.469 4.202 -3.406 1.00 0.00 C ATOM 770 C GLY A 53 10.079 4.580 -2.937 1.00 0.00 C ATOM 771 O GLY A 53 9.499 3.906 -2.085 1.00 0.00 O ATOM 0 H GLY A 53 11.422 2.380 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.113 5.081 -3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.423 3.882 -4.447 1.00 0.00 H new ATOM 775 N TRP A 54 9.543 5.661 -3.492 1.00 0.00 N ATOM 776 CA TRP A 54 8.211 6.129 -3.123 1.00 0.00 C ATOM 777 C TRP A 54 7.175 5.685 -4.150 1.00 0.00 C ATOM 778 O TRP A 54 7.128 6.207 -5.263 1.00 0.00 O ATOM 779 CB TRP A 54 8.201 7.653 -2.996 1.00 0.00 C ATOM 780 CG TRP A 54 9.065 8.163 -1.883 1.00 0.00 C ATOM 781 CD1 TRP A 54 10.393 8.473 -1.952 1.00 0.00 C ATOM 782 CD2 TRP A 54 8.662 8.418 -0.533 1.00 0.00 C ATOM 783 NE1 TRP A 54 10.840 8.906 -0.727 1.00 0.00 N ATOM 784 CE2 TRP A 54 9.797 8.882 0.161 1.00 0.00 C ATOM 785 CE3 TRP A 54 7.452 8.301 0.157 1.00 0.00 C ATOM 786 CZ2 TRP A 54 9.755 9.228 1.509 1.00 0.00 C ATOM 787 CZ3 TRP A 54 7.413 8.644 1.495 1.00 0.00 C ATOM 788 CH2 TRP A 54 8.558 9.103 2.159 1.00 0.00 C ATOM 0 H TRP A 54 10.009 6.230 -4.199 1.00 0.00 H new ATOM 0 HA TRP A 54 7.952 5.690 -2.160 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.536 8.091 -3.936 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.177 7.990 -2.835 1.00 0.00 H new ATOM 0 HD1 TRP A 54 11.003 8.390 -2.840 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.794 9.198 -0.513 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.564 7.949 -0.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.636 9.582 2.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 6.484 8.557 2.038 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.494 9.363 3.205 1.00 0.00 H new ATOM 799 N ALA A 55 6.347 4.719 -3.768 1.00 0.00 N ATOM 800 CA ALA A 55 5.309 4.207 -4.655 1.00 0.00 C ATOM 801 C ALA A 55 3.925 4.650 -4.195 1.00 0.00 C ATOM 802 O ALA A 55 3.654 4.782 -3.001 1.00 0.00 O ATOM 803 CB ALA A 55 5.382 2.689 -4.731 1.00 0.00 C ATOM 0 H ALA A 55 6.374 4.275 -2.850 1.00 0.00 H new ATOM 0 HA ALA A 55 5.480 4.619 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.602 2.320 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.357 2.390 -5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.239 2.268 -3.736 1.00 0.00 H new ATOM 809 N PRO A 56 3.026 4.887 -5.162 1.00 0.00 N ATOM 810 CA PRO A 56 1.655 5.319 -4.879 1.00 0.00 C ATOM 811 C PRO A 56 0.819 4.216 -4.238 1.00 0.00 C ATOM 812 O PRO A 56 0.754 3.098 -4.748 1.00 0.00 O ATOM 813 CB PRO A 56 1.102 5.673 -6.262 1.00 0.00 C ATOM 814 CG PRO A 56 1.908 4.857 -7.212 1.00 0.00 C ATOM 815 CD PRO A 56 3.280 4.750 -6.606 1.00 0.00 C ATOM 0 HA PRO A 56 1.627 6.145 -4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.041 5.435 -6.337 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.205 6.738 -6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.465 3.871 -7.352 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.951 5.330 -8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.751 3.796 -6.843 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.944 5.533 -6.973 1.00 0.00 H new ATOM 823 N SER A 57 0.182 4.539 -3.117 1.00 0.00 N ATOM 824 CA SER A 57 -0.647 3.573 -2.405 1.00 0.00 C ATOM 825 C SER A 57 -1.701 2.974 -3.330 1.00 0.00 C ATOM 826 O SER A 57 -2.181 1.862 -3.106 1.00 0.00 O ATOM 827 CB SER A 57 -1.324 4.238 -1.205 1.00 0.00 C ATOM 828 OG SER A 57 -2.405 5.055 -1.618 1.00 0.00 O ATOM 0 H SER A 57 0.224 5.461 -2.683 1.00 0.00 H new ATOM 0 HA SER A 57 -0.002 2.769 -2.051 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.684 3.473 -0.517 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.596 4.840 -0.660 1.00 0.00 H new ATOM 0 HG SER A 57 -2.822 5.467 -0.833 1.00 0.00 H new ATOM 834 N HIS A 58 -2.057 3.719 -4.372 1.00 0.00 N ATOM 835 CA HIS A 58 -3.054 3.262 -5.334 1.00 0.00 C ATOM 836 C HIS A 58 -2.638 1.934 -5.958 1.00 0.00 C ATOM 837 O HIS A 58 -3.481 1.088 -6.259 1.00 0.00 O ATOM 838 CB HIS A 58 -3.257 4.312 -6.427 1.00 0.00 C ATOM 839 CG HIS A 58 -3.447 5.700 -5.898 1.00 0.00 C ATOM 840 ND1 HIS A 58 -2.399 6.501 -5.493 1.00 0.00 N ATOM 841 CD2 HIS A 58 -4.571 6.429 -5.709 1.00 0.00 C ATOM 842 CE1 HIS A 58 -2.872 7.662 -5.077 1.00 0.00 C ATOM 843 NE2 HIS A 58 -4.187 7.645 -5.198 1.00 0.00 N ATOM 0 H HIS A 58 -1.670 4.641 -4.572 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.995 3.114 -4.803 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.395 4.301 -7.094 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -4.126 4.038 -7.025 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.582 6.114 -5.921 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.283 8.486 -4.701 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -4.815 8.410 -4.952 1.00 0.00 H new ATOM 852 N TYR A 59 -1.336 1.758 -6.149 1.00 0.00 N ATOM 853 CA TYR A 59 -0.809 0.534 -6.741 1.00 0.00 C ATOM 854 C TYR A 59 -0.732 -0.583 -5.704 1.00 0.00 C ATOM 855 O TYR A 59 -0.969 -1.751 -6.013 1.00 0.00 O ATOM 856 CB TYR A 59 0.576 0.786 -7.338 1.00 0.00 C ATOM 857 CG TYR A 59 0.544 1.571 -8.630 1.00 0.00 C ATOM 858 CD1 TYR A 59 -0.140 2.777 -8.717 1.00 0.00 C ATOM 859 CD2 TYR A 59 1.197 1.105 -9.765 1.00 0.00 C ATOM 860 CE1 TYR A 59 -0.172 3.497 -9.895 1.00 0.00 C ATOM 861 CE2 TYR A 59 1.171 1.819 -10.948 1.00 0.00 C ATOM 862 CZ TYR A 59 0.485 3.014 -11.008 1.00 0.00 C ATOM 863 OH TYR A 59 0.455 3.728 -12.184 1.00 0.00 O ATOM 0 H TYR A 59 -0.626 2.447 -5.903 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.488 0.223 -7.535 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.184 1.324 -6.611 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.065 -0.171 -7.516 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.656 3.158 -7.848 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.734 0.169 -9.722 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.708 4.433 -9.945 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.685 1.443 -11.820 1.00 0.00 H new ATOM 0 HH TYR A 59 0.967 3.251 -12.870 1.00 0.00 H new ATOM 873 N LEU A 60 -0.399 -0.215 -4.471 1.00 0.00 N ATOM 874 CA LEU A 60 -0.291 -1.184 -3.386 1.00 0.00 C ATOM 875 C LEU A 60 -1.667 -1.701 -2.979 1.00 0.00 C ATOM 876 O LEU A 60 -2.672 -1.006 -3.128 1.00 0.00 O ATOM 877 CB LEU A 60 0.407 -0.553 -2.180 1.00 0.00 C ATOM 878 CG LEU A 60 1.841 -0.073 -2.409 1.00 0.00 C ATOM 879 CD1 LEU A 60 2.322 0.755 -1.228 1.00 0.00 C ATOM 880 CD2 LEU A 60 2.768 -1.256 -2.646 1.00 0.00 C ATOM 0 H LEU A 60 -0.199 0.747 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 60 0.302 -2.026 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.189 0.295 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.414 -1.280 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 60 1.855 0.558 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.344 1.088 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.674 1.623 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.293 0.149 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.784 -0.896 -2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.750 -1.913 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.435 -1.808 -3.525 1.00 0.00 H new ATOM 892 N VAL A 61 -1.704 -2.925 -2.462 1.00 0.00 N ATOM 893 CA VAL A 61 -2.956 -3.535 -2.029 1.00 0.00 C ATOM 894 C VAL A 61 -3.130 -3.420 -0.519 1.00 0.00 C ATOM 895 O VAL A 61 -2.595 -4.228 0.242 1.00 0.00 O ATOM 896 CB VAL A 61 -3.025 -5.020 -2.432 1.00 0.00 C ATOM 897 CG1 VAL A 61 -4.266 -5.675 -1.845 1.00 0.00 C ATOM 898 CG2 VAL A 61 -3.002 -5.163 -3.946 1.00 0.00 C ATOM 0 H VAL A 61 -0.881 -3.514 -2.333 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.761 -2.994 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.149 -5.529 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.298 -6.724 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.235 -5.605 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.156 -5.166 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.051 -6.219 -4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.857 -4.640 -4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.081 -4.733 -4.338 1.00 0.00 H new