USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 434 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 87:sc= 0.0273 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.0351 K(o=0.035,f=-1) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -160:sc= 0.664 USER MOD Single : A 35 TYR OH : rot 30:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.36) USER MOD Single : A 49 THR OG1 : rot 103:sc= 1.26 USER MOD Single : A 50 ASN :FLIP amide:sc= -1.46! C(o=-5.1!,f=-1.5!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 9:sc= 0.361! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 -5.854 5.587 -6.849 1.00 0.00 N ATOM 67 CA GLY A 8 -5.773 4.902 -5.572 1.00 0.00 C ATOM 68 C GLY A 8 -4.395 4.330 -5.307 1.00 0.00 C ATOM 69 O GLY A 8 -4.216 3.112 -5.264 1.00 0.00 O ATOM 0 HA2 GLY A 8 -6.034 5.596 -4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.508 4.097 -5.548 1.00 0.00 H new ATOM 73 N THR A 9 -3.414 5.211 -5.131 1.00 0.00 N ATOM 74 CA THR A 9 -2.044 4.787 -4.872 1.00 0.00 C ATOM 75 C THR A 9 -1.547 5.323 -3.534 1.00 0.00 C ATOM 76 O THR A 9 -1.736 6.496 -3.216 1.00 0.00 O ATOM 77 CB THR A 9 -1.091 5.257 -5.987 1.00 0.00 C ATOM 78 OG1 THR A 9 -1.216 6.671 -6.174 1.00 0.00 O ATOM 79 CG2 THR A 9 -1.390 4.539 -7.294 1.00 0.00 C ATOM 0 H THR A 9 -3.544 6.222 -5.163 1.00 0.00 H new ATOM 0 HA THR A 9 -2.049 3.697 -4.844 1.00 0.00 H new ATOM 0 HB THR A 9 -0.071 5.019 -5.686 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.619 7.137 -5.552 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.704 4.888 -8.066 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.265 3.465 -7.156 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.415 4.749 -7.598 1.00 0.00 H new ATOM 87 N ALA A 10 -0.909 4.455 -2.755 1.00 0.00 N ATOM 88 CA ALA A 10 -0.382 4.842 -1.452 1.00 0.00 C ATOM 89 C ALA A 10 1.137 4.722 -1.417 1.00 0.00 C ATOM 90 O ALA A 10 1.726 3.937 -2.161 1.00 0.00 O ATOM 91 CB ALA A 10 -1.006 3.992 -0.356 1.00 0.00 C ATOM 0 H ALA A 10 -0.745 3.480 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.642 5.886 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.603 4.292 0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.087 4.132 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.776 2.942 -0.535 1.00 0.00 H new ATOM 97 N VAL A 11 1.769 5.506 -0.549 1.00 0.00 N ATOM 98 CA VAL A 11 3.221 5.487 -0.417 1.00 0.00 C ATOM 99 C VAL A 11 3.641 4.989 0.962 1.00 0.00 C ATOM 100 O VAL A 11 3.397 5.649 1.972 1.00 0.00 O ATOM 101 CB VAL A 11 3.824 6.885 -0.652 1.00 0.00 C ATOM 102 CG1 VAL A 11 5.330 6.858 -0.443 1.00 0.00 C ATOM 103 CG2 VAL A 11 3.480 7.385 -2.046 1.00 0.00 C ATOM 0 H VAL A 11 1.298 6.162 0.073 1.00 0.00 H new ATOM 0 HA VAL A 11 3.599 4.804 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 11 3.393 7.575 0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.739 7.854 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.550 6.545 0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.782 6.156 -1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.914 8.374 -2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.882 6.696 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.397 7.444 -2.155 1.00 0.00 H new ATOM 113 N ALA A 12 4.274 3.821 0.996 1.00 0.00 N ATOM 114 CA ALA A 12 4.730 3.236 2.250 1.00 0.00 C ATOM 115 C ALA A 12 5.715 4.158 2.960 1.00 0.00 C ATOM 116 O ALA A 12 6.840 4.355 2.498 1.00 0.00 O ATOM 117 CB ALA A 12 5.365 1.876 1.998 1.00 0.00 C ATOM 0 H ALA A 12 4.483 3.261 0.169 1.00 0.00 H new ATOM 0 HA ALA A 12 3.863 3.106 2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.701 1.451 2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.632 1.211 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.217 1.991 1.328 1.00 0.00 H new ATOM 123 N ARG A 13 5.286 4.722 4.084 1.00 0.00 N ATOM 124 CA ARG A 13 6.131 5.626 4.856 1.00 0.00 C ATOM 125 C ARG A 13 7.086 4.844 5.753 1.00 0.00 C ATOM 126 O ARG A 13 8.086 5.381 6.231 1.00 0.00 O ATOM 127 CB ARG A 13 5.269 6.562 5.705 1.00 0.00 C ATOM 128 CG ARG A 13 4.439 7.537 4.886 1.00 0.00 C ATOM 129 CD ARG A 13 5.303 8.632 4.280 1.00 0.00 C ATOM 130 NE ARG A 13 4.566 9.436 3.308 1.00 0.00 N ATOM 131 CZ ARG A 13 5.151 10.195 2.389 1.00 0.00 C ATOM 132 NH1 ARG A 13 6.473 10.253 2.315 1.00 0.00 N ATOM 133 NH2 ARG A 13 4.412 10.897 1.539 1.00 0.00 N ATOM 0 H ARG A 13 4.359 4.569 4.481 1.00 0.00 H new ATOM 0 HA ARG A 13 6.720 6.219 4.157 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.603 5.964 6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.915 7.125 6.379 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.922 6.999 4.092 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.673 7.985 5.519 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.679 9.278 5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.170 8.183 3.796 1.00 0.00 H new ATOM 0 HE ARG A 13 3.547 9.413 3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.044 9.713 2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.919 10.837 1.608 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.394 10.854 1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.862 11.480 0.833 1.00 0.00 H new ATOM 147 N TYR A 14 6.772 3.573 5.977 1.00 0.00 N ATOM 148 CA TYR A 14 7.601 2.717 6.818 1.00 0.00 C ATOM 149 C TYR A 14 7.671 1.302 6.254 1.00 0.00 C ATOM 150 O TYR A 14 6.846 0.908 5.430 1.00 0.00 O ATOM 151 CB TYR A 14 7.051 2.683 8.245 1.00 0.00 C ATOM 152 CG TYR A 14 6.638 4.040 8.768 1.00 0.00 C ATOM 153 CD1 TYR A 14 7.551 4.867 9.410 1.00 0.00 C ATOM 154 CD2 TYR A 14 5.334 4.497 8.618 1.00 0.00 C ATOM 155 CE1 TYR A 14 7.178 6.107 9.890 1.00 0.00 C ATOM 156 CE2 TYR A 14 4.952 5.736 9.094 1.00 0.00 C ATOM 157 CZ TYR A 14 5.877 6.538 9.729 1.00 0.00 C ATOM 158 OH TYR A 14 5.502 7.773 10.204 1.00 0.00 O ATOM 0 H TYR A 14 5.949 3.112 5.588 1.00 0.00 H new ATOM 0 HA TYR A 14 8.609 3.132 6.834 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.192 2.013 8.278 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.808 2.263 8.907 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.571 4.534 9.536 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.607 3.872 8.121 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.901 6.736 10.389 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.934 6.075 8.970 1.00 0.00 H new ATOM 0 HH TYR A 14 4.554 7.924 10.009 1.00 0.00 H new ATOM 168 N ASN A 15 8.663 0.541 6.705 1.00 0.00 N ATOM 169 CA ASN A 15 8.842 -0.832 6.246 1.00 0.00 C ATOM 170 C ASN A 15 8.026 -1.801 7.097 1.00 0.00 C ATOM 171 O ASN A 15 7.855 -1.596 8.298 1.00 0.00 O ATOM 172 CB ASN A 15 10.322 -1.218 6.292 1.00 0.00 C ATOM 173 CG ASN A 15 10.878 -1.213 7.703 1.00 0.00 C ATOM 174 OD1 ASN A 15 11.162 -0.156 8.267 1.00 0.00 O ATOM 175 ND2 ASN A 15 11.035 -2.398 8.281 1.00 0.00 N ATOM 0 H ASN A 15 9.355 0.851 7.387 1.00 0.00 H new ATOM 0 HA ASN A 15 8.489 -0.894 5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.450 -2.210 5.858 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.895 -0.524 5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.404 -2.458 9.230 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.786 -3.249 7.776 1.00 0.00 H new ATOM 182 N PHE A 16 7.526 -2.857 6.464 1.00 0.00 N ATOM 183 CA PHE A 16 6.728 -3.858 7.162 1.00 0.00 C ATOM 184 C PHE A 16 7.026 -5.258 6.632 1.00 0.00 C ATOM 185 O PHE A 16 6.902 -5.520 5.436 1.00 0.00 O ATOM 186 CB PHE A 16 5.237 -3.550 7.009 1.00 0.00 C ATOM 187 CG PHE A 16 4.352 -4.742 7.235 1.00 0.00 C ATOM 188 CD1 PHE A 16 3.992 -5.121 8.518 1.00 0.00 C ATOM 189 CD2 PHE A 16 3.880 -5.484 6.164 1.00 0.00 C ATOM 190 CE1 PHE A 16 3.177 -6.218 8.730 1.00 0.00 C ATOM 191 CE2 PHE A 16 3.065 -6.581 6.370 1.00 0.00 C ATOM 192 CZ PHE A 16 2.714 -6.949 7.654 1.00 0.00 C ATOM 0 H PHE A 16 7.659 -3.042 5.470 1.00 0.00 H new ATOM 0 HA PHE A 16 6.993 -3.824 8.219 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.962 -2.765 7.713 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.056 -3.158 6.008 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.352 -4.553 9.363 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.152 -5.202 5.158 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.903 -6.502 9.735 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.703 -7.150 5.527 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.078 -7.807 7.816 1.00 0.00 H new ATOM 202 N ALA A 17 7.420 -6.153 7.532 1.00 0.00 N ATOM 203 CA ALA A 17 7.735 -7.526 7.156 1.00 0.00 C ATOM 204 C ALA A 17 6.521 -8.434 7.326 1.00 0.00 C ATOM 205 O ALA A 17 6.206 -8.863 8.436 1.00 0.00 O ATOM 206 CB ALA A 17 8.904 -8.044 7.981 1.00 0.00 C ATOM 0 H ALA A 17 7.529 -5.952 8.526 1.00 0.00 H new ATOM 0 HA ALA A 17 8.016 -7.533 6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.128 -9.070 7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.779 -7.418 7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.643 -8.016 9.039 1.00 0.00 H new ATOM 212 N ALA A 18 5.844 -8.722 6.220 1.00 0.00 N ATOM 213 CA ALA A 18 4.666 -9.579 6.247 1.00 0.00 C ATOM 214 C ALA A 18 4.840 -10.720 7.244 1.00 0.00 C ATOM 215 O ALA A 18 5.458 -11.738 6.935 1.00 0.00 O ATOM 216 CB ALA A 18 4.381 -10.129 4.857 1.00 0.00 C ATOM 0 H ALA A 18 6.091 -8.374 5.294 1.00 0.00 H new ATOM 0 HA ALA A 18 3.816 -8.977 6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.498 -10.768 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.204 -9.303 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.236 -10.711 4.514 1.00 0.00 H new ATOM 222 N ARG A 19 4.292 -10.542 8.442 1.00 0.00 N ATOM 223 CA ARG A 19 4.389 -11.556 9.485 1.00 0.00 C ATOM 224 C ARG A 19 3.885 -12.905 8.980 1.00 0.00 C ATOM 225 O ARG A 19 4.483 -13.945 9.257 1.00 0.00 O ATOM 226 CB ARG A 19 3.588 -11.129 10.716 1.00 0.00 C ATOM 227 CG ARG A 19 2.095 -11.002 10.458 1.00 0.00 C ATOM 228 CD ARG A 19 1.448 -10.008 11.410 1.00 0.00 C ATOM 229 NE ARG A 19 1.074 -10.628 12.678 1.00 0.00 N ATOM 230 CZ ARG A 19 0.443 -9.983 13.654 1.00 0.00 C ATOM 231 NH1 ARG A 19 0.118 -8.706 13.507 1.00 0.00 N ATOM 232 NH2 ARG A 19 0.136 -10.617 14.779 1.00 0.00 N ATOM 0 H ARG A 19 3.776 -9.705 8.714 1.00 0.00 H new ATOM 0 HA ARG A 19 5.439 -11.659 9.760 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.750 -11.854 11.514 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.969 -10.172 11.073 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.928 -10.683 9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.621 -11.977 10.571 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.138 -9.185 11.598 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.562 -9.580 10.940 1.00 0.00 H new ATOM 0 HE ARG A 19 1.310 -11.610 12.823 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.352 -8.216 12.643 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.366 -8.213 14.257 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.384 -11.600 14.895 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.348 -10.122 15.528 1.00 0.00 H new ATOM 246 N ASP A 20 2.783 -12.879 8.238 1.00 0.00 N ATOM 247 CA ASP A 20 2.200 -14.100 7.694 1.00 0.00 C ATOM 248 C ASP A 20 2.234 -14.086 6.169 1.00 0.00 C ATOM 249 O ASP A 20 2.659 -13.106 5.558 1.00 0.00 O ATOM 250 CB ASP A 20 0.759 -14.264 8.183 1.00 0.00 C ATOM 251 CG ASP A 20 0.686 -14.819 9.591 1.00 0.00 C ATOM 252 OD1 ASP A 20 1.093 -14.107 10.533 1.00 0.00 O ATOM 253 OD2 ASP A 20 0.220 -15.967 9.752 1.00 0.00 O ATOM 0 H ASP A 20 2.276 -12.027 8.000 1.00 0.00 H new ATOM 0 HA ASP A 20 2.793 -14.944 8.045 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.255 -13.298 8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.222 -14.928 7.506 1.00 0.00 H new ATOM 258 N MET A 21 1.784 -15.179 5.562 1.00 0.00 N ATOM 259 CA MET A 21 1.764 -15.292 4.108 1.00 0.00 C ATOM 260 C MET A 21 0.744 -14.333 3.503 1.00 0.00 C ATOM 261 O MET A 21 1.060 -13.570 2.590 1.00 0.00 O ATOM 262 CB MET A 21 1.441 -16.728 3.691 1.00 0.00 C ATOM 263 CG MET A 21 2.570 -17.709 3.966 1.00 0.00 C ATOM 264 SD MET A 21 2.585 -19.092 2.810 1.00 0.00 S ATOM 265 CE MET A 21 1.449 -20.218 3.615 1.00 0.00 C ATOM 0 H MET A 21 1.428 -15.999 6.054 1.00 0.00 H new ATOM 0 HA MET A 21 2.753 -15.027 3.734 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.547 -17.059 4.219 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.207 -16.745 2.627 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.524 -17.184 3.911 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.475 -18.091 4.982 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.352 -21.125 3.019 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.829 -20.473 4.604 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.473 -19.742 3.713 1.00 0.00 H new ATOM 275 N ARG A 22 -0.481 -14.378 4.017 1.00 0.00 N ATOM 276 CA ARG A 22 -1.548 -13.514 3.525 1.00 0.00 C ATOM 277 C ARG A 22 -1.112 -12.052 3.537 1.00 0.00 C ATOM 278 O ARG A 22 -1.303 -11.330 2.558 1.00 0.00 O ATOM 279 CB ARG A 22 -2.807 -13.688 4.376 1.00 0.00 C ATOM 280 CG ARG A 22 -2.558 -13.547 5.869 1.00 0.00 C ATOM 281 CD ARG A 22 -3.645 -14.232 6.683 1.00 0.00 C ATOM 282 NE ARG A 22 -3.321 -15.628 6.964 1.00 0.00 N ATOM 283 CZ ARG A 22 -2.566 -16.016 7.986 1.00 0.00 C ATOM 284 NH1 ARG A 22 -2.062 -15.117 8.820 1.00 0.00 N ATOM 285 NH2 ARG A 22 -2.316 -17.305 8.176 1.00 0.00 N ATOM 0 H ARG A 22 -0.759 -15.003 4.773 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.769 -13.801 2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.548 -12.950 4.069 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.235 -14.671 4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.589 -13.978 6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.515 -12.490 6.134 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.786 -13.697 7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.590 -14.181 6.142 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.695 -16.344 6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.254 -14.125 8.678 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.483 -15.417 9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.704 -17.999 7.537 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.736 -17.602 8.961 1.00 0.00 H new ATOM 299 N GLU A 23 -0.526 -11.623 4.650 1.00 0.00 N ATOM 300 CA GLU A 23 -0.065 -10.246 4.788 1.00 0.00 C ATOM 301 C GLU A 23 0.803 -9.841 3.600 1.00 0.00 C ATOM 302 O GLU A 23 1.333 -10.693 2.885 1.00 0.00 O ATOM 303 CB GLU A 23 0.723 -10.077 6.089 1.00 0.00 C ATOM 304 CG GLU A 23 -0.074 -10.430 7.334 1.00 0.00 C ATOM 305 CD GLU A 23 -1.454 -9.800 7.340 1.00 0.00 C ATOM 306 OE1 GLU A 23 -2.349 -10.326 6.645 1.00 0.00 O ATOM 307 OE2 GLU A 23 -1.639 -8.783 8.040 1.00 0.00 O ATOM 0 H GLU A 23 -0.359 -12.208 5.469 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.941 -9.598 4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.614 -10.704 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.063 -9.044 6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.173 -11.513 7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.475 -10.103 8.217 1.00 0.00 H new ATOM 314 N LEU A 24 0.942 -8.536 3.394 1.00 0.00 N ATOM 315 CA LEU A 24 1.744 -8.017 2.292 1.00 0.00 C ATOM 316 C LEU A 24 2.892 -7.158 2.811 1.00 0.00 C ATOM 317 O LEU A 24 2.673 -6.164 3.504 1.00 0.00 O ATOM 318 CB LEU A 24 0.869 -7.198 1.340 1.00 0.00 C ATOM 319 CG LEU A 24 1.609 -6.413 0.256 1.00 0.00 C ATOM 320 CD1 LEU A 24 1.951 -7.317 -0.918 1.00 0.00 C ATOM 321 CD2 LEU A 24 0.776 -5.227 -0.206 1.00 0.00 C ATOM 0 H LEU A 24 0.510 -7.818 3.976 1.00 0.00 H new ATOM 0 HA LEU A 24 2.165 -8.865 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.164 -7.873 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.281 -6.496 1.932 1.00 0.00 H new ATOM 0 HG LEU A 24 2.539 -6.035 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.477 -6.741 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.588 -8.133 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.034 -7.726 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.318 -4.680 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.171 -5.583 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.583 -4.567 0.639 1.00 0.00 H new ATOM 333 N SER A 25 4.116 -7.547 2.471 1.00 0.00 N ATOM 334 CA SER A 25 5.300 -6.814 2.905 1.00 0.00 C ATOM 335 C SER A 25 5.407 -5.477 2.178 1.00 0.00 C ATOM 336 O SER A 25 5.212 -5.400 0.964 1.00 0.00 O ATOM 337 CB SER A 25 6.560 -7.645 2.657 1.00 0.00 C ATOM 338 OG SER A 25 6.643 -8.054 1.303 1.00 0.00 O ATOM 0 H SER A 25 4.314 -8.366 1.896 1.00 0.00 H new ATOM 0 HA SER A 25 5.206 -6.621 3.974 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.442 -7.060 2.918 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.555 -8.521 3.305 1.00 0.00 H new ATOM 0 HG SER A 25 7.250 -8.820 1.229 1.00 0.00 H new ATOM 344 N LEU A 26 5.719 -4.426 2.928 1.00 0.00 N ATOM 345 CA LEU A 26 5.853 -3.091 2.357 1.00 0.00 C ATOM 346 C LEU A 26 7.242 -2.520 2.625 1.00 0.00 C ATOM 347 O LEU A 26 7.703 -2.494 3.767 1.00 0.00 O ATOM 348 CB LEU A 26 4.786 -2.158 2.933 1.00 0.00 C ATOM 349 CG LEU A 26 3.333 -2.569 2.691 1.00 0.00 C ATOM 350 CD1 LEU A 26 2.402 -1.821 3.631 1.00 0.00 C ATOM 351 CD2 LEU A 26 2.944 -2.320 1.241 1.00 0.00 C ATOM 0 H LEU A 26 5.884 -4.473 3.933 1.00 0.00 H new ATOM 0 HA LEU A 26 5.715 -3.169 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.945 -2.077 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.936 -1.164 2.512 1.00 0.00 H new ATOM 0 HG LEU A 26 3.238 -3.636 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.373 -2.127 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.666 -2.050 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.498 -0.749 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.907 -2.618 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.055 -1.260 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.591 -2.903 0.585 1.00 0.00 H new ATOM 363 N ARG A 27 7.903 -2.063 1.567 1.00 0.00 N ATOM 364 CA ARG A 27 9.239 -1.491 1.689 1.00 0.00 C ATOM 365 C ARG A 27 9.196 0.027 1.542 1.00 0.00 C ATOM 366 O ARG A 27 8.543 0.554 0.643 1.00 0.00 O ATOM 367 CB ARG A 27 10.171 -2.091 0.634 1.00 0.00 C ATOM 368 CG ARG A 27 11.639 -2.053 1.027 1.00 0.00 C ATOM 369 CD ARG A 27 12.544 -2.180 -0.188 1.00 0.00 C ATOM 370 NE ARG A 27 12.417 -3.485 -0.831 1.00 0.00 N ATOM 371 CZ ARG A 27 13.240 -3.921 -1.778 1.00 0.00 C ATOM 372 NH1 ARG A 27 14.244 -3.160 -2.191 1.00 0.00 N ATOM 373 NH2 ARG A 27 13.059 -5.121 -2.315 1.00 0.00 N ATOM 0 H ARG A 27 7.536 -2.077 0.616 1.00 0.00 H new ATOM 0 HA ARG A 27 9.621 -1.731 2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.879 -3.125 0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.040 -1.551 -0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.854 -1.119 1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.851 -2.862 1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.299 -1.397 -0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.580 -2.024 0.114 1.00 0.00 H new ATOM 0 HE ARG A 27 11.654 -4.095 -0.537 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.386 -2.237 -1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.874 -3.498 -2.918 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.287 -5.709 -2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.691 -5.455 -3.042 1.00 0.00 H new ATOM 387 N GLU A 28 9.897 0.722 2.432 1.00 0.00 N ATOM 388 CA GLU A 28 9.938 2.180 2.401 1.00 0.00 C ATOM 389 C GLU A 28 10.008 2.692 0.965 1.00 0.00 C ATOM 390 O GLU A 28 11.011 2.509 0.278 1.00 0.00 O ATOM 391 CB GLU A 28 11.139 2.695 3.197 1.00 0.00 C ATOM 392 CG GLU A 28 10.847 2.901 4.674 1.00 0.00 C ATOM 393 CD GLU A 28 12.107 3.080 5.498 1.00 0.00 C ATOM 394 OE1 GLU A 28 12.720 2.059 5.875 1.00 0.00 O ATOM 395 OE2 GLU A 28 12.480 4.241 5.766 1.00 0.00 O ATOM 0 H GLU A 28 10.444 0.300 3.183 1.00 0.00 H new ATOM 0 HA GLU A 28 9.021 2.554 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.963 1.989 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.472 3.639 2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.210 3.777 4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.288 2.045 5.053 1.00 0.00 H new ATOM 402 N GLY A 29 8.932 3.335 0.520 1.00 0.00 N ATOM 403 CA GLY A 29 8.891 3.863 -0.831 1.00 0.00 C ATOM 404 C GLY A 29 8.271 2.891 -1.815 1.00 0.00 C ATOM 405 O GLY A 29 8.565 2.934 -3.010 1.00 0.00 O ATOM 0 H GLY A 29 8.089 3.499 1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.323 4.793 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.903 4.106 -1.154 1.00 0.00 H new ATOM 409 N ASP A 30 7.412 2.011 -1.313 1.00 0.00 N ATOM 410 CA ASP A 30 6.749 1.023 -2.156 1.00 0.00 C ATOM 411 C ASP A 30 5.337 1.475 -2.516 1.00 0.00 C ATOM 412 O ASP A 30 4.456 1.536 -1.658 1.00 0.00 O ATOM 413 CB ASP A 30 6.699 -0.332 -1.448 1.00 0.00 C ATOM 414 CG ASP A 30 7.918 -1.184 -1.742 1.00 0.00 C ATOM 415 OD1 ASP A 30 8.956 -0.617 -2.144 1.00 0.00 O ATOM 416 OD2 ASP A 30 7.835 -2.418 -1.570 1.00 0.00 O ATOM 0 H ASP A 30 7.158 1.962 -0.326 1.00 0.00 H new ATOM 0 HA ASP A 30 7.325 0.922 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.621 -0.174 -0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.802 -0.868 -1.758 1.00 0.00 H new ATOM 421 N VAL A 31 5.129 1.791 -3.790 1.00 0.00 N ATOM 422 CA VAL A 31 3.824 2.238 -4.263 1.00 0.00 C ATOM 423 C VAL A 31 2.822 1.089 -4.277 1.00 0.00 C ATOM 424 O VAL A 31 3.006 0.098 -4.985 1.00 0.00 O ATOM 425 CB VAL A 31 3.917 2.841 -5.677 1.00 0.00 C ATOM 426 CG1 VAL A 31 2.537 3.237 -6.181 1.00 0.00 C ATOM 427 CG2 VAL A 31 4.859 4.035 -5.686 1.00 0.00 C ATOM 0 H VAL A 31 5.847 1.746 -4.513 1.00 0.00 H new ATOM 0 HA VAL A 31 3.481 3.006 -3.570 1.00 0.00 H new ATOM 0 HB VAL A 31 4.320 2.084 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.623 3.661 -7.181 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.895 2.357 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.103 3.977 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.913 4.449 -6.693 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.488 4.797 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.853 3.717 -5.371 1.00 0.00 H new ATOM 437 N VAL A 32 1.759 1.228 -3.491 1.00 0.00 N ATOM 438 CA VAL A 32 0.726 0.202 -3.413 1.00 0.00 C ATOM 439 C VAL A 32 -0.599 0.714 -3.968 1.00 0.00 C ATOM 440 O VAL A 32 -1.048 1.806 -3.620 1.00 0.00 O ATOM 441 CB VAL A 32 0.514 -0.272 -1.963 1.00 0.00 C ATOM 442 CG1 VAL A 32 -0.395 -1.492 -1.928 1.00 0.00 C ATOM 443 CG2 VAL A 32 1.850 -0.573 -1.301 1.00 0.00 C ATOM 0 H VAL A 32 1.591 2.041 -2.899 1.00 0.00 H new ATOM 0 HA VAL A 32 1.069 -0.639 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 32 0.030 0.528 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.534 -1.813 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.362 -1.238 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.059 -2.300 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.682 -0.907 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.364 -1.356 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.463 0.328 -1.293 1.00 0.00 H new ATOM 453 N ARG A 33 -1.219 -0.082 -4.832 1.00 0.00 N ATOM 454 CA ARG A 33 -2.493 0.291 -5.436 1.00 0.00 C ATOM 455 C ARG A 33 -3.660 -0.311 -4.658 1.00 0.00 C ATOM 456 O ARG A 33 -3.890 -1.520 -4.702 1.00 0.00 O ATOM 457 CB ARG A 33 -2.545 -0.171 -6.893 1.00 0.00 C ATOM 458 CG ARG A 33 -2.020 0.861 -7.878 1.00 0.00 C ATOM 459 CD ARG A 33 -3.129 1.780 -8.365 1.00 0.00 C ATOM 460 NE ARG A 33 -2.833 2.348 -9.678 1.00 0.00 N ATOM 461 CZ ARG A 33 -3.740 2.944 -10.443 1.00 0.00 C ATOM 462 NH1 ARG A 33 -4.995 3.051 -10.028 1.00 0.00 N ATOM 463 NH2 ARG A 33 -3.394 3.436 -11.626 1.00 0.00 N ATOM 0 H ARG A 33 -0.860 -0.989 -5.130 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.578 1.377 -5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.964 -1.087 -6.996 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.575 -0.416 -7.151 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.237 1.453 -7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.565 0.355 -8.729 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.065 1.224 -8.413 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.274 2.586 -7.646 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.877 2.283 -10.026 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.265 2.675 -9.119 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.690 3.509 -10.618 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.430 3.357 -11.949 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.092 3.893 -12.212 1.00 0.00 H new ATOM 477 N ILE A 34 -4.392 0.540 -3.948 1.00 0.00 N ATOM 478 CA ILE A 34 -5.535 0.092 -3.162 1.00 0.00 C ATOM 479 C ILE A 34 -6.630 -0.476 -4.058 1.00 0.00 C ATOM 480 O ILE A 34 -7.296 0.261 -4.786 1.00 0.00 O ATOM 481 CB ILE A 34 -6.122 1.239 -2.318 1.00 0.00 C ATOM 482 CG1 ILE A 34 -5.050 1.822 -1.394 1.00 0.00 C ATOM 483 CG2 ILE A 34 -7.314 0.746 -1.510 1.00 0.00 C ATOM 484 CD1 ILE A 34 -5.249 3.290 -1.089 1.00 0.00 C ATOM 0 H ILE A 34 -4.214 1.543 -3.901 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.172 -0.690 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.464 2.027 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.045 1.262 -0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.071 1.684 -1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.718 1.568 -0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.083 0.374 -2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.996 -0.057 -0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.453 3.636 -0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.225 3.861 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.213 3.433 -0.600 1.00 0.00 H new ATOM 496 N TYR A 35 -6.813 -1.790 -3.999 1.00 0.00 N ATOM 497 CA TYR A 35 -7.827 -2.458 -4.806 1.00 0.00 C ATOM 498 C TYR A 35 -9.144 -2.567 -4.044 1.00 0.00 C ATOM 499 O TYR A 35 -10.184 -2.102 -4.511 1.00 0.00 O ATOM 500 CB TYR A 35 -7.346 -3.851 -5.217 1.00 0.00 C ATOM 501 CG TYR A 35 -6.127 -3.831 -6.111 1.00 0.00 C ATOM 502 CD1 TYR A 35 -6.020 -2.916 -7.152 1.00 0.00 C ATOM 503 CD2 TYR A 35 -5.084 -4.728 -5.917 1.00 0.00 C ATOM 504 CE1 TYR A 35 -4.908 -2.895 -7.972 1.00 0.00 C ATOM 505 CE2 TYR A 35 -3.968 -4.713 -6.732 1.00 0.00 C ATOM 506 CZ TYR A 35 -3.885 -3.795 -7.758 1.00 0.00 C ATOM 507 OH TYR A 35 -2.776 -3.777 -8.572 1.00 0.00 O ATOM 0 H TYR A 35 -6.272 -2.414 -3.400 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.994 -1.860 -5.702 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.119 -4.427 -4.320 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.155 -4.369 -5.732 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.819 -2.210 -7.323 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.146 -5.449 -5.116 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.840 -2.178 -8.776 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.165 -5.416 -6.566 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.623 -2.865 -8.896 1.00 0.00 H new ATOM 517 N SER A 36 -9.091 -3.184 -2.868 1.00 0.00 N ATOM 518 CA SER A 36 -10.280 -3.358 -2.042 1.00 0.00 C ATOM 519 C SER A 36 -10.112 -2.660 -0.695 1.00 0.00 C ATOM 520 O SER A 36 -9.009 -2.593 -0.152 1.00 0.00 O ATOM 521 CB SER A 36 -10.564 -4.846 -1.826 1.00 0.00 C ATOM 522 OG SER A 36 -11.318 -5.382 -2.899 1.00 0.00 O ATOM 0 H SER A 36 -8.238 -3.572 -2.466 1.00 0.00 H new ATOM 0 HA SER A 36 -11.124 -2.906 -2.564 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.624 -5.389 -1.731 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.107 -4.984 -0.891 1.00 0.00 H new ATOM 0 HG SER A 36 -11.485 -6.334 -2.738 1.00 0.00 H new ATOM 528 N ARG A 37 -11.214 -2.142 -0.163 1.00 0.00 N ATOM 529 CA ARG A 37 -11.189 -1.448 1.119 1.00 0.00 C ATOM 530 C ARG A 37 -11.837 -2.297 2.209 1.00 0.00 C ATOM 531 O ARG A 37 -11.300 -2.427 3.310 1.00 0.00 O ATOM 532 CB ARG A 37 -11.911 -0.104 1.009 1.00 0.00 C ATOM 533 CG ARG A 37 -11.001 1.045 0.607 1.00 0.00 C ATOM 534 CD ARG A 37 -11.602 2.390 0.984 1.00 0.00 C ATOM 535 NE ARG A 37 -11.432 2.687 2.404 1.00 0.00 N ATOM 536 CZ ARG A 37 -12.073 3.667 3.031 1.00 0.00 C ATOM 537 NH1 ARG A 37 -12.921 4.440 2.368 1.00 0.00 N ATOM 538 NH2 ARG A 37 -11.865 3.875 4.325 1.00 0.00 N ATOM 0 H ARG A 37 -12.135 -2.190 -0.599 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.148 -1.273 1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.715 -0.192 0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.375 0.129 1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.032 0.930 1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.825 1.012 -0.468 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.134 3.175 0.391 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.664 2.395 0.737 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.786 2.111 2.943 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.083 4.283 1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.412 5.192 2.852 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.213 3.282 4.838 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.357 4.628 4.806 1.00 0.00 H new ATOM 552 N ILE A 38 -12.992 -2.873 1.896 1.00 0.00 N ATOM 553 CA ILE A 38 -13.712 -3.710 2.848 1.00 0.00 C ATOM 554 C ILE A 38 -13.143 -5.125 2.876 1.00 0.00 C ATOM 555 O ILE A 38 -13.131 -5.820 1.862 1.00 0.00 O ATOM 556 CB ILE A 38 -15.214 -3.779 2.515 1.00 0.00 C ATOM 557 CG1 ILE A 38 -15.826 -2.377 2.527 1.00 0.00 C ATOM 558 CG2 ILE A 38 -15.934 -4.686 3.501 1.00 0.00 C ATOM 559 CD1 ILE A 38 -15.697 -1.673 3.860 1.00 0.00 C ATOM 0 H ILE A 38 -13.450 -2.776 0.990 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.587 -3.251 3.829 1.00 0.00 H new ATOM 0 HB ILE A 38 -15.331 -4.197 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.345 -1.773 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -16.881 -2.448 2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -16.995 -4.724 3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -15.512 -5.690 3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -15.812 -4.295 4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -16.152 -0.685 3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -16.203 -2.256 4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -14.643 -1.570 4.117 1.00 0.00 H new ATOM 571 N GLY A 39 -12.674 -5.545 4.047 1.00 0.00 N ATOM 572 CA GLY A 39 -12.112 -6.876 4.187 1.00 0.00 C ATOM 573 C GLY A 39 -10.916 -6.906 5.117 1.00 0.00 C ATOM 574 O GLY A 39 -10.098 -5.987 5.118 1.00 0.00 O ATOM 0 H GLY A 39 -12.673 -4.987 4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.879 -7.553 4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.815 -7.246 3.206 1.00 0.00 H new ATOM 578 N GLY A 40 -10.814 -7.965 5.914 1.00 0.00 N ATOM 579 CA GLY A 40 -9.707 -8.090 6.844 1.00 0.00 C ATOM 580 C GLY A 40 -9.837 -7.155 8.030 1.00 0.00 C ATOM 581 O GLY A 40 -10.921 -6.638 8.305 1.00 0.00 O ATOM 0 H GLY A 40 -11.478 -8.739 5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.651 -9.118 7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.773 -7.882 6.322 1.00 0.00 H new ATOM 585 N ASP A 41 -8.733 -6.938 8.735 1.00 0.00 N ATOM 586 CA ASP A 41 -8.728 -6.059 9.898 1.00 0.00 C ATOM 587 C ASP A 41 -9.282 -4.683 9.542 1.00 0.00 C ATOM 588 O ASP A 41 -9.225 -4.261 8.388 1.00 0.00 O ATOM 589 CB ASP A 41 -7.311 -5.924 10.456 1.00 0.00 C ATOM 590 CG ASP A 41 -6.894 -7.128 11.277 1.00 0.00 C ATOM 591 OD1 ASP A 41 -6.882 -8.247 10.724 1.00 0.00 O ATOM 592 OD2 ASP A 41 -6.581 -6.952 12.473 1.00 0.00 O ATOM 0 H ASP A 41 -7.829 -7.359 8.521 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.369 -6.502 10.660 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.611 -5.790 9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.251 -5.028 11.074 1.00 0.00 H new ATOM 597 N GLN A 42 -9.818 -3.990 10.542 1.00 0.00 N ATOM 598 CA GLN A 42 -10.383 -2.662 10.333 1.00 0.00 C ATOM 599 C GLN A 42 -9.350 -1.720 9.722 1.00 0.00 C ATOM 600 O GLN A 42 -8.192 -1.700 10.137 1.00 0.00 O ATOM 601 CB GLN A 42 -10.895 -2.088 11.655 1.00 0.00 C ATOM 602 CG GLN A 42 -9.787 -1.745 12.638 1.00 0.00 C ATOM 603 CD GLN A 42 -10.281 -0.915 13.807 1.00 0.00 C ATOM 604 OE1 GLN A 42 -10.998 0.069 13.624 1.00 0.00 O ATOM 605 NE2 GLN A 42 -9.899 -1.308 15.016 1.00 0.00 N ATOM 0 H GLN A 42 -9.873 -4.326 11.504 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.218 -2.756 9.638 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.479 -1.190 11.450 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.570 -2.808 12.117 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.342 -2.666 13.014 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.000 -1.200 12.117 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.304 -2.130 15.121 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.200 -0.788 15.840 1.00 0.00 H new ATOM 614 N GLY A 43 -9.778 -0.942 8.733 1.00 0.00 N ATOM 615 CA GLY A 43 -8.878 -0.009 8.081 1.00 0.00 C ATOM 616 C GLY A 43 -7.985 -0.683 7.059 1.00 0.00 C ATOM 617 O GLY A 43 -7.818 -0.185 5.945 1.00 0.00 O ATOM 0 H GLY A 43 -10.732 -0.941 8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.461 0.771 7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.259 0.480 8.833 1.00 0.00 H new ATOM 621 N TRP A 44 -7.408 -1.818 7.437 1.00 0.00 N ATOM 622 CA TRP A 44 -6.525 -2.561 6.545 1.00 0.00 C ATOM 623 C TRP A 44 -7.130 -2.673 5.150 1.00 0.00 C ATOM 624 O TRP A 44 -8.349 -2.746 4.996 1.00 0.00 O ATOM 625 CB TRP A 44 -6.252 -3.956 7.109 1.00 0.00 C ATOM 626 CG TRP A 44 -5.259 -3.958 8.232 1.00 0.00 C ATOM 627 CD1 TRP A 44 -5.360 -3.287 9.417 1.00 0.00 C ATOM 628 CD2 TRP A 44 -4.014 -4.664 8.274 1.00 0.00 C ATOM 629 NE1 TRP A 44 -4.253 -3.533 10.193 1.00 0.00 N ATOM 630 CE2 TRP A 44 -3.413 -4.375 9.515 1.00 0.00 C ATOM 631 CE3 TRP A 44 -3.349 -5.513 7.385 1.00 0.00 C ATOM 632 CZ2 TRP A 44 -2.180 -4.906 9.885 1.00 0.00 C ATOM 633 CZ3 TRP A 44 -2.126 -6.038 7.754 1.00 0.00 C ATOM 634 CH2 TRP A 44 -1.551 -5.734 8.995 1.00 0.00 C ATOM 0 H TRP A 44 -7.536 -2.244 8.355 1.00 0.00 H new ATOM 0 HA TRP A 44 -5.584 -2.017 6.470 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.189 -4.388 7.461 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.886 -4.599 6.308 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.188 -2.656 9.702 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.084 -3.150 11.123 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.784 -5.754 6.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.735 -4.673 10.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.604 -6.694 7.074 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.593 -6.161 9.254 1.00 0.00 H new ATOM 645 N TRP A 45 -6.271 -2.687 4.137 1.00 0.00 N ATOM 646 CA TRP A 45 -6.723 -2.791 2.754 1.00 0.00 C ATOM 647 C TRP A 45 -5.893 -3.814 1.986 1.00 0.00 C ATOM 648 O TRP A 45 -4.880 -4.306 2.483 1.00 0.00 O ATOM 649 CB TRP A 45 -6.640 -1.427 2.065 1.00 0.00 C ATOM 650 CG TRP A 45 -7.462 -0.370 2.738 1.00 0.00 C ATOM 651 CD1 TRP A 45 -8.686 -0.532 3.320 1.00 0.00 C ATOM 652 CD2 TRP A 45 -7.119 1.010 2.897 1.00 0.00 C ATOM 653 NE1 TRP A 45 -9.126 0.666 3.831 1.00 0.00 N ATOM 654 CE2 TRP A 45 -8.182 1.627 3.585 1.00 0.00 C ATOM 655 CE3 TRP A 45 -6.017 1.785 2.526 1.00 0.00 C ATOM 656 CZ2 TRP A 45 -8.173 2.982 3.908 1.00 0.00 C ATOM 657 CZ3 TRP A 45 -6.009 3.130 2.846 1.00 0.00 C ATOM 658 CH2 TRP A 45 -7.081 3.717 3.532 1.00 0.00 C ATOM 0 H TRP A 45 -5.259 -2.628 4.247 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.761 -3.124 2.761 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -5.599 -1.105 2.037 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -6.969 -1.530 1.031 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -9.229 -1.464 3.371 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -10.012 0.815 4.315 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -5.186 1.341 1.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -8.998 3.436 4.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.163 3.738 2.563 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -7.045 4.770 3.769 1.00 0.00 H new ATOM 669 N LYS A 46 -6.328 -4.129 0.770 1.00 0.00 N ATOM 670 CA LYS A 46 -5.625 -5.093 -0.068 1.00 0.00 C ATOM 671 C LYS A 46 -5.071 -4.422 -1.321 1.00 0.00 C ATOM 672 O LYS A 46 -5.825 -4.012 -2.202 1.00 0.00 O ATOM 673 CB LYS A 46 -6.562 -6.237 -0.461 1.00 0.00 C ATOM 674 CG LYS A 46 -5.835 -7.493 -0.910 1.00 0.00 C ATOM 675 CD LYS A 46 -6.795 -8.654 -1.105 1.00 0.00 C ATOM 676 CE LYS A 46 -6.107 -9.842 -1.759 1.00 0.00 C ATOM 677 NZ LYS A 46 -5.338 -10.651 -0.773 1.00 0.00 N ATOM 0 H LYS A 46 -7.164 -3.730 0.343 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.791 -5.496 0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.200 -6.481 0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.216 -5.899 -1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.308 -7.295 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.082 -7.763 -0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.204 -8.955 -0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.635 -8.334 -1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.853 -10.472 -2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.435 -9.487 -2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.618 -11.213 -1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.873 -10.018 -0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.985 -11.288 -0.267 1.00 0.00 H new ATOM 691 N GLY A 47 -3.748 -4.315 -1.394 1.00 0.00 N ATOM 692 CA GLY A 47 -3.116 -3.695 -2.543 1.00 0.00 C ATOM 693 C GLY A 47 -2.079 -4.592 -3.189 1.00 0.00 C ATOM 694 O GLY A 47 -2.083 -5.804 -2.982 1.00 0.00 O ATOM 0 H GLY A 47 -3.103 -4.647 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.878 -3.438 -3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.644 -2.762 -2.235 1.00 0.00 H new ATOM 698 N GLU A 48 -1.189 -3.994 -3.975 1.00 0.00 N ATOM 699 CA GLU A 48 -0.142 -4.748 -4.655 1.00 0.00 C ATOM 700 C GLU A 48 1.056 -3.856 -4.968 1.00 0.00 C ATOM 701 O GLU A 48 0.900 -2.681 -5.301 1.00 0.00 O ATOM 702 CB GLU A 48 -0.684 -5.365 -5.946 1.00 0.00 C ATOM 703 CG GLU A 48 0.364 -6.118 -6.748 1.00 0.00 C ATOM 704 CD GLU A 48 1.122 -5.220 -7.706 1.00 0.00 C ATOM 705 OE1 GLU A 48 0.563 -4.179 -8.110 1.00 0.00 O ATOM 706 OE2 GLU A 48 2.274 -5.557 -8.051 1.00 0.00 O ATOM 0 H GLU A 48 -1.172 -2.990 -4.157 1.00 0.00 H new ATOM 0 HA GLU A 48 0.186 -5.546 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.499 -6.046 -5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.106 -4.575 -6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.069 -6.591 -6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.119 -6.917 -7.310 1.00 0.00 H new ATOM 713 N THR A 49 2.253 -4.423 -4.859 1.00 0.00 N ATOM 714 CA THR A 49 3.478 -3.681 -5.128 1.00 0.00 C ATOM 715 C THR A 49 4.680 -4.615 -5.214 1.00 0.00 C ATOM 716 O THR A 49 4.885 -5.459 -4.343 1.00 0.00 O ATOM 717 CB THR A 49 3.742 -2.621 -4.043 1.00 0.00 C ATOM 718 OG1 THR A 49 4.818 -1.765 -4.445 1.00 0.00 O ATOM 719 CG2 THR A 49 4.082 -3.279 -2.714 1.00 0.00 C ATOM 0 H THR A 49 2.400 -5.395 -4.586 1.00 0.00 H new ATOM 0 HA THR A 49 3.341 -3.182 -6.087 1.00 0.00 H new ATOM 0 HB THR A 49 2.835 -2.030 -3.917 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.456 -0.913 -4.766 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.264 -2.510 -1.963 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.250 -3.907 -2.395 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.976 -3.892 -2.830 1.00 0.00 H new ATOM 727 N ASN A 50 5.472 -4.457 -6.269 1.00 0.00 N ATOM 728 CA ASN A 50 6.654 -5.288 -6.468 1.00 0.00 C ATOM 729 C ASN A 50 6.267 -6.752 -6.651 1.00 0.00 C ATOM 730 O ASN A 50 7.009 -7.654 -6.267 1.00 0.00 O ATOM 731 CB ASN A 50 7.608 -5.146 -5.280 1.00 0.00 C ATOM 732 CG ASN A 50 8.825 -6.042 -5.406 1.00 0.00 C ATOM 733 OD1 ASN A 50 9.095 -6.822 -4.366 1.00 0.00 O flip ATOM 734 ND2 ASN A 50 9.514 -6.033 -6.426 1.00 0.00 N flip ATOM 0 H ASN A 50 5.317 -3.762 -6.999 1.00 0.00 H new ATOM 0 HA ASN A 50 7.157 -4.949 -7.373 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.931 -4.108 -5.199 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.076 -5.387 -4.360 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.269 -5.417 -7.201 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.330 -6.641 -6.496 1.00 0.00 H new ATOM 741 N GLY A 51 5.098 -6.979 -7.243 1.00 0.00 N ATOM 742 CA GLY A 51 4.631 -8.335 -7.468 1.00 0.00 C ATOM 743 C GLY A 51 4.243 -9.035 -6.181 1.00 0.00 C ATOM 744 O GLY A 51 4.453 -10.239 -6.034 1.00 0.00 O ATOM 0 H GLY A 51 4.466 -6.248 -7.571 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.773 -8.314 -8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.413 -8.907 -7.968 1.00 0.00 H new ATOM 748 N ARG A 52 3.676 -8.280 -5.246 1.00 0.00 N ATOM 749 CA ARG A 52 3.260 -8.835 -3.964 1.00 0.00 C ATOM 750 C ARG A 52 1.837 -8.405 -3.621 1.00 0.00 C ATOM 751 O ARG A 52 1.542 -7.212 -3.537 1.00 0.00 O ATOM 752 CB ARG A 52 4.219 -8.392 -2.857 1.00 0.00 C ATOM 753 CG ARG A 52 5.648 -8.867 -3.063 1.00 0.00 C ATOM 754 CD ARG A 52 6.543 -8.461 -1.902 1.00 0.00 C ATOM 755 NE ARG A 52 7.948 -8.392 -2.293 1.00 0.00 N ATOM 756 CZ ARG A 52 8.897 -7.855 -1.534 1.00 0.00 C ATOM 757 NH1 ARG A 52 8.592 -7.344 -0.349 1.00 0.00 N ATOM 758 NH2 ARG A 52 10.153 -7.829 -1.959 1.00 0.00 N ATOM 0 H ARG A 52 3.494 -7.282 -5.352 1.00 0.00 H new ATOM 0 HA ARG A 52 3.284 -9.922 -4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.212 -7.304 -2.796 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.855 -8.767 -1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.660 -9.952 -3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.041 -8.450 -3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.225 -7.491 -1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.428 -9.177 -1.088 1.00 0.00 H new ATOM 0 HE ARG A 52 8.216 -8.777 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.627 -7.363 -0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.322 -6.932 0.232 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.391 -8.222 -2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.881 -7.416 -1.375 1.00 0.00 H new ATOM 772 N ILE A 53 0.960 -9.383 -3.424 1.00 0.00 N ATOM 773 CA ILE A 53 -0.432 -9.105 -3.090 1.00 0.00 C ATOM 774 C ILE A 53 -0.798 -9.689 -1.730 1.00 0.00 C ATOM 775 O ILE A 53 -0.370 -10.788 -1.379 1.00 0.00 O ATOM 776 CB ILE A 53 -1.390 -9.672 -4.154 1.00 0.00 C ATOM 777 CG1 ILE A 53 -1.203 -8.937 -5.483 1.00 0.00 C ATOM 778 CG2 ILE A 53 -2.832 -9.562 -3.681 1.00 0.00 C ATOM 779 CD1 ILE A 53 -0.163 -9.570 -6.382 1.00 0.00 C ATOM 0 H ILE A 53 1.188 -10.375 -3.490 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.538 -8.021 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.157 -10.726 -4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.157 -8.907 -6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.917 -7.905 -5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.497 -9.967 -4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.955 -10.125 -2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.078 -8.515 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.083 -8.997 -7.306 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.802 -9.576 -5.874 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.457 -10.594 -6.614 1.00 0.00 H new ATOM 791 N GLY A 54 -1.594 -8.946 -0.967 1.00 0.00 N ATOM 792 CA GLY A 54 -2.007 -9.408 0.345 1.00 0.00 C ATOM 793 C GLY A 54 -2.598 -8.297 1.191 1.00 0.00 C ATOM 794 O GLY A 54 -2.905 -7.219 0.684 1.00 0.00 O ATOM 0 H GLY A 54 -1.960 -8.032 -1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.742 -10.205 0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.149 -9.837 0.862 1.00 0.00 H new ATOM 798 N TRP A 55 -2.759 -8.561 2.482 1.00 0.00 N ATOM 799 CA TRP A 55 -3.319 -7.576 3.400 1.00 0.00 C ATOM 800 C TRP A 55 -2.219 -6.719 4.016 1.00 0.00 C ATOM 801 O TRP A 55 -1.242 -7.239 4.554 1.00 0.00 O ATOM 802 CB TRP A 55 -4.119 -8.272 4.502 1.00 0.00 C ATOM 803 CG TRP A 55 -5.227 -9.134 3.978 1.00 0.00 C ATOM 804 CD1 TRP A 55 -5.200 -10.488 3.804 1.00 0.00 C ATOM 805 CD2 TRP A 55 -6.526 -8.700 3.559 1.00 0.00 C ATOM 806 NE1 TRP A 55 -6.403 -10.922 3.301 1.00 0.00 N ATOM 807 CE2 TRP A 55 -7.233 -9.845 3.143 1.00 0.00 C ATOM 808 CE3 TRP A 55 -7.160 -7.456 3.496 1.00 0.00 C ATOM 809 CZ2 TRP A 55 -8.542 -9.780 2.671 1.00 0.00 C ATOM 810 CZ3 TRP A 55 -8.458 -7.394 3.027 1.00 0.00 C ATOM 811 CH2 TRP A 55 -9.138 -8.549 2.620 1.00 0.00 C ATOM 0 H TRP A 55 -2.510 -9.449 2.917 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.985 -6.926 2.833 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -3.444 -8.884 5.100 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.539 -7.518 5.168 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -4.357 -11.125 4.029 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.639 -11.890 3.081 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.645 -6.560 3.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -9.068 -10.669 2.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -8.957 -6.438 2.973 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -10.152 -8.467 2.259 1.00 0.00 H new ATOM 822 N PHE A 56 -2.385 -5.403 3.935 1.00 0.00 N ATOM 823 CA PHE A 56 -1.405 -4.473 4.485 1.00 0.00 C ATOM 824 C PHE A 56 -2.092 -3.360 5.270 1.00 0.00 C ATOM 825 O PHE A 56 -3.173 -2.892 4.915 1.00 0.00 O ATOM 826 CB PHE A 56 -0.555 -3.872 3.363 1.00 0.00 C ATOM 827 CG PHE A 56 -1.258 -2.792 2.592 1.00 0.00 C ATOM 828 CD1 PHE A 56 -1.303 -1.494 3.075 1.00 0.00 C ATOM 829 CD2 PHE A 56 -1.875 -3.074 1.384 1.00 0.00 C ATOM 830 CE1 PHE A 56 -1.949 -0.497 2.368 1.00 0.00 C ATOM 831 CE2 PHE A 56 -2.522 -2.082 0.672 1.00 0.00 C ATOM 832 CZ PHE A 56 -2.560 -0.792 1.165 1.00 0.00 C ATOM 0 H PHE A 56 -3.189 -4.956 3.494 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.758 -5.027 5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.361 -3.465 3.790 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.261 -4.665 2.676 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.827 -1.258 4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.850 -4.081 0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.976 0.511 2.756 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.998 -2.315 -0.269 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.067 -0.016 0.611 1.00 0.00 H new ATOM 842 N PRO A 57 -1.450 -2.926 6.365 1.00 0.00 N ATOM 843 CA PRO A 57 -1.979 -1.863 7.224 1.00 0.00 C ATOM 844 C PRO A 57 -1.947 -0.498 6.544 1.00 0.00 C ATOM 845 O PRO A 57 -0.938 -0.110 5.958 1.00 0.00 O ATOM 846 CB PRO A 57 -1.039 -1.881 8.431 1.00 0.00 C ATOM 847 CG PRO A 57 0.236 -2.450 7.911 1.00 0.00 C ATOM 848 CD PRO A 57 -0.156 -3.439 6.848 1.00 0.00 C ATOM 0 HA PRO A 57 -3.026 -2.029 7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.890 -0.878 8.832 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.444 -2.490 9.239 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.874 -1.667 7.500 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.800 -2.936 8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.583 -3.483 6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.249 -4.447 7.252 1.00 0.00 H new ATOM 856 N SER A 58 -3.059 0.225 6.628 1.00 0.00 N ATOM 857 CA SER A 58 -3.159 1.546 6.018 1.00 0.00 C ATOM 858 C SER A 58 -2.366 2.575 6.818 1.00 0.00 C ATOM 859 O SER A 58 -1.864 3.555 6.267 1.00 0.00 O ATOM 860 CB SER A 58 -4.624 1.977 5.922 1.00 0.00 C ATOM 861 OG SER A 58 -5.256 1.922 7.189 1.00 0.00 O ATOM 0 H SER A 58 -3.903 -0.081 7.112 1.00 0.00 H new ATOM 0 HA SER A 58 -2.738 1.489 5.014 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.683 2.991 5.527 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.151 1.330 5.221 1.00 0.00 H new ATOM 0 HG SER A 58 -6.190 2.204 7.101 1.00 0.00 H new ATOM 867 N THR A 59 -2.258 2.346 8.123 1.00 0.00 N ATOM 868 CA THR A 59 -1.528 3.252 9.000 1.00 0.00 C ATOM 869 C THR A 59 -0.048 3.295 8.638 1.00 0.00 C ATOM 870 O THR A 59 0.675 4.204 9.046 1.00 0.00 O ATOM 871 CB THR A 59 -1.672 2.841 10.478 1.00 0.00 C ATOM 872 OG1 THR A 59 -0.650 3.466 11.262 1.00 0.00 O ATOM 873 CG2 THR A 59 -1.583 1.330 10.630 1.00 0.00 C ATOM 0 H THR A 59 -2.667 1.540 8.596 1.00 0.00 H new ATOM 0 HA THR A 59 -1.961 4.243 8.862 1.00 0.00 H new ATOM 0 HB THR A 59 -2.650 3.169 10.830 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.172 4.122 10.713 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.687 1.063 11.682 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.381 0.859 10.055 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.617 0.984 10.262 1.00 0.00 H new ATOM 881 N TYR A 60 0.397 2.306 7.870 1.00 0.00 N ATOM 882 CA TYR A 60 1.792 2.230 7.455 1.00 0.00 C ATOM 883 C TYR A 60 2.011 2.975 6.141 1.00 0.00 C ATOM 884 O TYR A 60 3.136 3.339 5.800 1.00 0.00 O ATOM 885 CB TYR A 60 2.222 0.770 7.304 1.00 0.00 C ATOM 886 CG TYR A 60 2.720 0.150 8.590 1.00 0.00 C ATOM 887 CD1 TYR A 60 1.882 0.015 9.690 1.00 0.00 C ATOM 888 CD2 TYR A 60 4.028 -0.304 8.705 1.00 0.00 C ATOM 889 CE1 TYR A 60 2.332 -0.550 10.867 1.00 0.00 C ATOM 890 CE2 TYR A 60 4.487 -0.872 9.877 1.00 0.00 C ATOM 891 CZ TYR A 60 3.636 -0.992 10.955 1.00 0.00 C ATOM 892 OH TYR A 60 4.088 -1.558 12.126 1.00 0.00 O ATOM 0 H TYR A 60 -0.188 1.546 7.523 1.00 0.00 H new ATOM 0 HA TYR A 60 2.400 2.703 8.226 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.379 0.188 6.933 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.008 0.707 6.552 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.860 0.358 9.623 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.698 -0.211 7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.668 -0.645 11.713 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.507 -1.220 9.949 1.00 0.00 H new ATOM 0 HH TYR A 60 5.027 -1.817 12.023 1.00 0.00 H new ATOM 902 N VAL A 61 0.925 3.198 5.407 1.00 0.00 N ATOM 903 CA VAL A 61 0.996 3.901 4.132 1.00 0.00 C ATOM 904 C VAL A 61 0.172 5.183 4.164 1.00 0.00 C ATOM 905 O VAL A 61 -0.624 5.397 5.077 1.00 0.00 O ATOM 906 CB VAL A 61 0.500 3.014 2.974 1.00 0.00 C ATOM 907 CG1 VAL A 61 1.219 1.674 2.982 1.00 0.00 C ATOM 908 CG2 VAL A 61 -1.007 2.820 3.060 1.00 0.00 C ATOM 0 H VAL A 61 -0.014 2.902 5.674 1.00 0.00 H new ATOM 0 HA VAL A 61 2.044 4.151 3.966 1.00 0.00 H new ATOM 0 HB VAL A 61 0.726 3.515 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.856 1.061 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.291 1.836 2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.026 1.163 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.341 2.191 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.259 2.341 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.503 3.789 3.001 1.00 0.00 H new ATOM 918 N GLU A 62 0.369 6.032 3.160 1.00 0.00 N ATOM 919 CA GLU A 62 -0.356 7.294 3.074 1.00 0.00 C ATOM 920 C GLU A 62 -1.040 7.438 1.718 1.00 0.00 C ATOM 921 O GLU A 62 -0.452 7.133 0.680 1.00 0.00 O ATOM 922 CB GLU A 62 0.594 8.471 3.306 1.00 0.00 C ATOM 923 CG GLU A 62 -0.112 9.812 3.410 1.00 0.00 C ATOM 924 CD GLU A 62 -0.650 10.081 4.802 1.00 0.00 C ATOM 925 OE1 GLU A 62 -0.044 9.592 5.778 1.00 0.00 O ATOM 926 OE2 GLU A 62 -1.677 10.782 4.915 1.00 0.00 O ATOM 0 H GLU A 62 1.024 5.869 2.395 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.122 7.296 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.159 8.296 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.315 8.512 2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.581 10.606 3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.934 9.842 2.695 1.00 0.00 H new ATOM 933 N GLU A 63 -2.285 7.904 1.735 1.00 0.00 N ATOM 934 CA GLU A 63 -3.049 8.086 0.507 1.00 0.00 C ATOM 935 C GLU A 63 -2.785 9.462 -0.099 1.00 0.00 C ATOM 936 O GLU A 63 -3.452 10.439 0.241 1.00 0.00 O ATOM 937 CB GLU A 63 -4.545 7.916 0.780 1.00 0.00 C ATOM 938 CG GLU A 63 -4.997 6.466 0.806 1.00 0.00 C ATOM 939 CD GLU A 63 -6.501 6.326 0.937 1.00 0.00 C ATOM 940 OE1 GLU A 63 -7.005 6.371 2.079 1.00 0.00 O ATOM 941 OE2 GLU A 63 -7.175 6.172 -0.104 1.00 0.00 O ATOM 0 H GLU A 63 -2.785 8.162 2.585 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.729 7.326 -0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.787 8.380 1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.109 8.450 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.668 5.970 -0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.514 5.954 1.638 1.00 0.00 H new ATOM 948 N GLU A 64 -1.807 9.529 -0.997 1.00 0.00 N ATOM 949 CA GLU A 64 -1.454 10.785 -1.648 1.00 0.00 C ATOM 950 C GLU A 64 -2.702 11.518 -2.129 1.00 0.00 C ATOM 951 O GLU A 64 -3.805 10.972 -2.103 1.00 0.00 O ATOM 952 CB GLU A 64 -0.514 10.526 -2.828 1.00 0.00 C ATOM 953 CG GLU A 64 0.770 9.814 -2.439 1.00 0.00 C ATOM 954 CD GLU A 64 1.425 9.111 -3.611 1.00 0.00 C ATOM 955 OE1 GLU A 64 0.881 8.084 -4.068 1.00 0.00 O ATOM 956 OE2 GLU A 64 2.484 9.588 -4.072 1.00 0.00 O ATOM 0 H GLU A 64 -1.246 8.729 -1.290 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.944 11.413 -0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.038 9.930 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.264 11.477 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.468 10.537 -2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.555 9.085 -1.657 1.00 0.00 H new