USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 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 10 THR OG1 : rot 19:sc= 0.26 USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.456) USER MOD Single : A 15 MET CE :methyl -177:sc= 0 (180deg=-0.0056) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.523 K(o=-0.52,f=-2.5!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.86 USER MOD Single : A 30 THR OG1 : rot 180:sc=0.000132 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.81! X(o=-1.8!,f=-2.2) USER MOD Single : A 41 ASN : amide:sc= -0.0766 K(o=-0.077,f=-1.9!) USER MOD Single : A 50 LYS NZ :NH3+ 159:sc= -0.139 (180deg=-0.633) USER MOD Single : A 51 ASN : amide:sc= -5.37! C(o=-5.4!,f=-19!) USER MOD Single : A 52 ASN : amide:sc= -1.13 X(o=-1.1,f=-1.6!) USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= 0.00948 (180deg=0.00286) USER MOD Single : A 56 GLN : amide:sc= -0.475 K(o=-0.47,f=0.26) USER MOD Single : A 61 THR OG1 : rot -85:sc= 1.12 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N THR A 10 0.913 12.779 -1.892 1.00 0.00 N ATOM 94 CA THR A 10 -0.068 11.769 -1.517 1.00 0.00 C ATOM 95 C THR A 10 0.613 10.477 -1.080 1.00 0.00 C ATOM 96 O THR A 10 1.641 10.086 -1.635 1.00 0.00 O ATOM 97 CB THR A 10 -1.030 11.461 -2.680 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.475 12.680 -3.284 1.00 0.00 O ATOM 99 CG2 THR A 10 -2.231 10.663 -2.192 1.00 0.00 C ATOM 0 HA THR A 10 -0.638 12.177 -0.682 1.00 0.00 H new ATOM 0 HB THR A 10 -0.493 10.865 -3.418 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.863 13.407 -3.044 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.896 10.457 -3.031 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.891 9.722 -1.759 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.767 11.237 -1.436 1.00 0.00 H new ATOM 107 N LYS A 11 0.035 9.816 -0.084 1.00 0.00 N ATOM 108 CA LYS A 11 0.585 8.566 0.427 1.00 0.00 C ATOM 109 C LYS A 11 -0.529 7.579 0.765 1.00 0.00 C ATOM 110 O LYS A 11 -1.711 7.910 0.678 1.00 0.00 O ATOM 111 CB LYS A 11 1.440 8.830 1.668 1.00 0.00 C ATOM 112 CG LYS A 11 2.828 9.358 1.350 1.00 0.00 C ATOM 113 CD LYS A 11 3.742 9.292 2.562 1.00 0.00 C ATOM 114 CE LYS A 11 3.648 10.558 3.400 1.00 0.00 C ATOM 115 NZ LYS A 11 2.543 10.483 4.396 1.00 0.00 N ATOM 0 H LYS A 11 -0.816 10.125 0.386 1.00 0.00 H new ATOM 0 HA LYS A 11 1.211 8.129 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.925 9.547 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.534 7.905 2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.261 8.778 0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.755 10.389 1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.476 8.429 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.772 9.146 2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.593 10.722 3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.490 11.416 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.752 11.116 5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.651 10.774 3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.454 9.507 4.743 1.00 0.00 H new ATOM 129 N ALA A 12 -0.143 6.368 1.151 1.00 0.00 N ATOM 130 CA ALA A 12 -1.108 5.335 1.505 1.00 0.00 C ATOM 131 C ALA A 12 -0.455 4.233 2.333 1.00 0.00 C ATOM 132 O ALA A 12 0.706 3.887 2.117 1.00 0.00 O ATOM 133 CB ALA A 12 -1.740 4.751 0.250 1.00 0.00 C ATOM 0 H ALA A 12 0.832 6.078 1.227 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.888 5.794 2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.459 3.981 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.250 5.541 -0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.964 4.313 -0.378 1.00 0.00 H new ATOM 139 N ARG A 13 -1.209 3.687 3.281 1.00 0.00 N ATOM 140 CA ARG A 13 -0.702 2.626 4.143 1.00 0.00 C ATOM 141 C ARG A 13 -1.225 1.264 3.694 1.00 0.00 C ATOM 142 O ARG A 13 -2.418 1.099 3.439 1.00 0.00 O ATOM 143 CB ARG A 13 -1.104 2.884 5.596 1.00 0.00 C ATOM 144 CG ARG A 13 -0.625 1.811 6.561 1.00 0.00 C ATOM 145 CD ARG A 13 -1.550 1.687 7.761 1.00 0.00 C ATOM 146 NE ARG A 13 -1.438 2.834 8.659 1.00 0.00 N ATOM 147 CZ ARG A 13 -1.889 2.836 9.908 1.00 0.00 C ATOM 148 NH1 ARG A 13 -2.478 1.757 10.405 1.00 0.00 N ATOM 149 NH2 ARG A 13 -1.750 3.918 10.664 1.00 0.00 N ATOM 0 H ARG A 13 -2.173 3.962 3.472 1.00 0.00 H new ATOM 0 HA ARG A 13 0.385 2.621 4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.703 3.848 5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.190 2.956 5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.569 0.853 6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.383 2.049 6.900 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.580 1.595 7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.314 0.774 8.308 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.989 3.680 8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.585 0.923 9.828 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.824 1.761 11.365 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.296 4.750 10.286 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.097 3.918 11.623 1.00 0.00 H new ATOM 163 N VAL A 14 -0.323 0.292 3.598 1.00 0.00 N ATOM 164 CA VAL A 14 -0.693 -1.055 3.180 1.00 0.00 C ATOM 165 C VAL A 14 -1.335 -1.829 4.326 1.00 0.00 C ATOM 166 O VAL A 14 -0.930 -1.698 5.481 1.00 0.00 O ATOM 167 CB VAL A 14 0.530 -1.839 2.667 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.107 -3.198 2.131 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.265 -1.041 1.601 1.00 0.00 C ATOM 0 H VAL A 14 0.669 0.412 3.804 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.413 -0.948 2.369 1.00 0.00 H new ATOM 0 HB VAL A 14 1.212 -2.001 3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.984 -3.737 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.371 -3.770 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.596 -3.062 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.126 -1.610 1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.593 -0.846 0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.603 -0.095 2.023 1.00 0.00 H new ATOM 179 N MET A 15 -2.338 -2.636 3.998 1.00 0.00 N ATOM 180 CA MET A 15 -3.036 -3.434 5.000 1.00 0.00 C ATOM 181 C MET A 15 -2.657 -4.907 4.883 1.00 0.00 C ATOM 182 O MET A 15 -2.806 -5.673 5.835 1.00 0.00 O ATOM 183 CB MET A 15 -4.550 -3.270 4.849 1.00 0.00 C ATOM 184 CG MET A 15 -4.975 -1.858 4.483 1.00 0.00 C ATOM 185 SD MET A 15 -6.614 -1.441 5.110 1.00 0.00 S ATOM 186 CE MET A 15 -7.654 -2.348 3.967 1.00 0.00 C ATOM 0 H MET A 15 -2.686 -2.755 3.047 1.00 0.00 H new ATOM 0 HA MET A 15 -2.736 -3.078 5.986 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.907 -3.958 4.083 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.033 -3.555 5.784 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.248 -1.150 4.879 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.967 -1.750 3.398 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.702 -2.148 4.191 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.435 -2.033 2.947 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.459 -3.416 4.067 1.00 0.00 H new ATOM 196 N TYR A 16 -2.169 -5.296 3.711 1.00 0.00 N ATOM 197 CA TYR A 16 -1.771 -6.677 3.469 1.00 0.00 C ATOM 198 C TYR A 16 -0.626 -6.747 2.463 1.00 0.00 C ATOM 199 O TYR A 16 -0.659 -6.092 1.422 1.00 0.00 O ATOM 200 CB TYR A 16 -2.963 -7.491 2.959 1.00 0.00 C ATOM 201 CG TYR A 16 -4.247 -7.218 3.709 1.00 0.00 C ATOM 202 CD1 TYR A 16 -4.492 -7.805 4.944 1.00 0.00 C ATOM 203 CD2 TYR A 16 -5.216 -6.372 3.182 1.00 0.00 C ATOM 204 CE1 TYR A 16 -5.665 -7.559 5.632 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.390 -6.120 3.863 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.610 -6.716 5.087 1.00 0.00 C ATOM 207 OH TYR A 16 -7.779 -6.467 5.770 1.00 0.00 O ATOM 0 H TYR A 16 -2.039 -4.674 2.913 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.427 -7.100 4.413 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.116 -7.273 1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.727 -8.552 3.034 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.753 -8.465 5.374 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.047 -5.904 2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.840 -8.024 6.591 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.132 -5.460 3.439 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.337 -5.852 5.250 1.00 0.00 H new ATOM 217 N ASP A 17 0.385 -7.546 2.784 1.00 0.00 N ATOM 218 CA ASP A 17 1.541 -7.705 1.909 1.00 0.00 C ATOM 219 C ASP A 17 1.104 -8.022 0.482 1.00 0.00 C ATOM 220 O ASP A 17 0.305 -8.931 0.255 1.00 0.00 O ATOM 221 CB ASP A 17 2.457 -8.812 2.433 1.00 0.00 C ATOM 222 CG ASP A 17 1.685 -10.035 2.888 1.00 0.00 C ATOM 223 OD1 ASP A 17 1.167 -10.022 4.025 1.00 0.00 O ATOM 224 OD2 ASP A 17 1.596 -11.005 2.107 1.00 0.00 O ATOM 0 H ASP A 17 0.428 -8.094 3.643 1.00 0.00 H new ATOM 0 HA ASP A 17 2.090 -6.764 1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.159 -9.099 1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.047 -8.428 3.265 1.00 0.00 H new ATOM 229 N PHE A 18 1.632 -7.267 -0.475 1.00 0.00 N ATOM 230 CA PHE A 18 1.295 -7.466 -1.880 1.00 0.00 C ATOM 231 C PHE A 18 2.548 -7.733 -2.708 1.00 0.00 C ATOM 232 O PHE A 18 3.172 -6.806 -3.225 1.00 0.00 O ATOM 233 CB PHE A 18 0.558 -6.243 -2.428 1.00 0.00 C ATOM 234 CG PHE A 18 0.116 -6.399 -3.855 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.887 -7.295 -4.189 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.703 -5.650 -4.862 1.00 0.00 C ATOM 237 CE1 PHE A 18 -1.297 -7.440 -5.501 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.297 -5.791 -6.175 1.00 0.00 C ATOM 239 CZ PHE A 18 -0.703 -6.688 -6.495 1.00 0.00 C ATOM 0 H PHE A 18 2.295 -6.511 -0.304 1.00 0.00 H new ATOM 0 HA PHE A 18 0.643 -8.336 -1.951 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.315 -6.045 -1.805 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.209 -5.372 -2.351 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.354 -7.887 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.487 -4.948 -4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.081 -8.141 -5.748 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.761 -5.200 -6.951 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.020 -6.801 -7.521 1.00 0.00 H new ATOM 249 N ALA A 19 2.912 -9.005 -2.828 1.00 0.00 N ATOM 250 CA ALA A 19 4.089 -9.395 -3.593 1.00 0.00 C ATOM 251 C ALA A 19 3.803 -9.371 -5.091 1.00 0.00 C ATOM 252 O ALA A 19 3.422 -10.385 -5.676 1.00 0.00 O ATOM 253 CB ALA A 19 4.563 -10.776 -3.166 1.00 0.00 C ATOM 0 H ALA A 19 2.408 -9.784 -2.404 1.00 0.00 H new ATOM 0 HA ALA A 19 4.880 -8.673 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.443 -11.054 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.817 -10.762 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.769 -11.503 -3.340 1.00 0.00 H new ATOM 259 N ALA A 20 3.987 -8.208 -5.706 1.00 0.00 N ATOM 260 CA ALA A 20 3.750 -8.053 -7.136 1.00 0.00 C ATOM 261 C ALA A 20 4.240 -9.273 -7.909 1.00 0.00 C ATOM 262 O ALA A 20 5.263 -9.865 -7.566 1.00 0.00 O ATOM 263 CB ALA A 20 4.429 -6.792 -7.650 1.00 0.00 C ATOM 0 H ALA A 20 4.300 -7.358 -5.236 1.00 0.00 H new ATOM 0 HA ALA A 20 2.675 -7.963 -7.294 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.244 -6.689 -8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.028 -5.924 -7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.502 -6.859 -7.473 1.00 0.00 H new ATOM 319 N ASN A 25 3.000 -4.895 -14.594 1.00 0.00 N ATOM 320 CA ASN A 25 3.021 -3.491 -14.199 1.00 0.00 C ATOM 321 C ASN A 25 2.495 -3.317 -12.778 1.00 0.00 C ATOM 322 O ASN A 25 1.422 -2.752 -12.568 1.00 0.00 O ATOM 323 CB ASN A 25 2.185 -2.655 -15.170 1.00 0.00 C ATOM 324 CG ASN A 25 0.882 -3.333 -15.544 1.00 0.00 C ATOM 325 OD1 ASN A 25 0.352 -4.145 -14.785 1.00 0.00 O ATOM 326 ND2 ASN A 25 0.358 -3.002 -16.719 1.00 0.00 N ATOM 0 HA ASN A 25 4.055 -3.146 -14.229 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.971 -1.686 -14.719 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.765 -2.465 -16.073 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.518 -3.426 -17.024 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.832 -2.324 -17.316 1.00 0.00 H new ATOM 333 N GLU A 26 3.258 -3.807 -11.806 1.00 0.00 N ATOM 334 CA GLU A 26 2.868 -3.706 -10.405 1.00 0.00 C ATOM 335 C GLU A 26 4.095 -3.570 -9.507 1.00 0.00 C ATOM 336 O GLU A 26 5.171 -4.076 -9.827 1.00 0.00 O ATOM 337 CB GLU A 26 2.052 -4.932 -9.989 1.00 0.00 C ATOM 338 CG GLU A 26 0.771 -5.109 -10.788 1.00 0.00 C ATOM 339 CD GLU A 26 -0.176 -6.110 -10.156 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.303 -7.164 -9.686 1.00 0.00 O ATOM 341 OE2 GLU A 26 -1.395 -5.841 -10.132 1.00 0.00 O ATOM 0 H GLU A 26 4.149 -4.278 -11.963 1.00 0.00 H new ATOM 0 HA GLU A 26 2.253 -2.813 -10.290 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.668 -5.824 -10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.802 -4.850 -8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.268 -4.146 -10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.019 -5.436 -11.798 1.00 0.00 H new ATOM 348 N LEU A 27 3.924 -2.883 -8.383 1.00 0.00 N ATOM 349 CA LEU A 27 5.016 -2.679 -7.437 1.00 0.00 C ATOM 350 C LEU A 27 4.844 -3.564 -6.207 1.00 0.00 C ATOM 351 O LEU A 27 3.738 -3.715 -5.687 1.00 0.00 O ATOM 352 CB LEU A 27 5.087 -1.210 -7.018 1.00 0.00 C ATOM 353 CG LEU A 27 6.281 -0.817 -6.148 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.481 -0.468 -7.014 1.00 0.00 C ATOM 355 CD2 LEU A 27 5.919 0.350 -5.241 1.00 0.00 C ATOM 0 H LEU A 27 3.040 -2.458 -8.104 1.00 0.00 H new ATOM 0 HA LEU A 27 5.948 -2.954 -7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.102 -0.596 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.173 -0.962 -6.479 1.00 0.00 H new ATOM 0 HG LEU A 27 6.546 -1.669 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.321 -0.191 -6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.755 -1.331 -7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.228 0.368 -7.666 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.781 0.616 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.627 1.206 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.089 0.065 -4.594 1.00 0.00 H new ATOM 367 N THR A 28 5.946 -4.146 -5.743 1.00 0.00 N ATOM 368 CA THR A 28 5.917 -5.014 -4.573 1.00 0.00 C ATOM 369 C THR A 28 6.010 -4.204 -3.285 1.00 0.00 C ATOM 370 O THR A 28 6.864 -3.328 -3.151 1.00 0.00 O ATOM 371 CB THR A 28 7.066 -6.039 -4.606 1.00 0.00 C ATOM 372 OG1 THR A 28 7.089 -6.710 -5.871 1.00 0.00 O ATOM 373 CG2 THR A 28 6.913 -7.059 -3.488 1.00 0.00 C ATOM 0 H THR A 28 6.870 -4.031 -6.160 1.00 0.00 H new ATOM 0 HA THR A 28 4.965 -5.545 -4.597 1.00 0.00 H new ATOM 0 HB THR A 28 8.005 -5.504 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.824 -7.359 -5.884 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.736 -7.773 -3.531 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.926 -6.548 -2.525 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.967 -7.588 -3.605 1.00 0.00 H new ATOM 381 N VAL A 29 5.126 -4.503 -2.338 1.00 0.00 N ATOM 382 CA VAL A 29 5.110 -3.804 -1.059 1.00 0.00 C ATOM 383 C VAL A 29 4.860 -4.770 0.093 1.00 0.00 C ATOM 384 O VAL A 29 4.574 -5.949 -0.121 1.00 0.00 O ATOM 385 CB VAL A 29 4.032 -2.703 -1.034 1.00 0.00 C ATOM 386 CG1 VAL A 29 4.487 -1.493 -1.836 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.712 -3.240 -1.566 1.00 0.00 C ATOM 0 H VAL A 29 4.412 -5.225 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 29 6.091 -3.345 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 29 3.881 -2.388 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.713 -0.726 -1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.407 -1.097 -1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.667 -1.788 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.961 -2.450 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.846 -3.582 -2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.382 -4.073 -0.946 1.00 0.00 H new ATOM 397 N THR A 30 4.970 -4.265 1.318 1.00 0.00 N ATOM 398 CA THR A 30 4.756 -5.083 2.505 1.00 0.00 C ATOM 399 C THR A 30 3.552 -4.593 3.301 1.00 0.00 C ATOM 400 O THR A 30 2.884 -3.637 2.908 1.00 0.00 O ATOM 401 CB THR A 30 5.997 -5.082 3.418 1.00 0.00 C ATOM 402 OG1 THR A 30 6.682 -3.829 3.313 1.00 0.00 O ATOM 403 CG2 THR A 30 6.942 -6.215 3.048 1.00 0.00 C ATOM 0 H THR A 30 5.206 -3.292 1.514 1.00 0.00 H new ATOM 0 HA THR A 30 4.569 -6.100 2.159 1.00 0.00 H new ATOM 0 HB THR A 30 5.664 -5.228 4.446 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.468 -3.836 3.898 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.811 -6.194 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.427 -7.169 3.158 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.267 -6.095 2.015 1.00 0.00 H new ATOM 411 N GLU A 31 3.282 -5.253 4.423 1.00 0.00 N ATOM 412 CA GLU A 31 2.157 -4.883 5.274 1.00 0.00 C ATOM 413 C GLU A 31 2.593 -3.893 6.350 1.00 0.00 C ATOM 414 O GLU A 31 3.151 -4.280 7.376 1.00 0.00 O ATOM 415 CB GLU A 31 1.551 -6.128 5.926 1.00 0.00 C ATOM 416 CG GLU A 31 0.495 -5.814 6.972 1.00 0.00 C ATOM 417 CD GLU A 31 0.056 -7.042 7.744 1.00 0.00 C ATOM 418 OE1 GLU A 31 0.921 -7.888 8.054 1.00 0.00 O ATOM 419 OE2 GLU A 31 -1.152 -7.159 8.038 1.00 0.00 O ATOM 0 H GLU A 31 3.826 -6.046 4.763 1.00 0.00 H new ATOM 0 HA GLU A 31 1.402 -4.406 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.108 -6.754 5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.348 -6.710 6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.888 -5.073 7.668 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.371 -5.366 6.485 1.00 0.00 H new ATOM 426 N GLY A 32 2.333 -2.611 6.108 1.00 0.00 N ATOM 427 CA GLY A 32 2.704 -1.585 7.064 1.00 0.00 C ATOM 428 C GLY A 32 3.666 -0.569 6.480 1.00 0.00 C ATOM 429 O GLY A 32 3.972 0.440 7.113 1.00 0.00 O ATOM 0 H GLY A 32 1.872 -2.265 5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.806 -1.073 7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.160 -2.053 7.936 1.00 0.00 H new ATOM 433 N GLU A 33 4.145 -0.838 5.269 1.00 0.00 N ATOM 434 CA GLU A 33 5.079 0.060 4.601 1.00 0.00 C ATOM 435 C GLU A 33 4.354 1.279 4.038 1.00 0.00 C ATOM 436 O GLU A 33 3.233 1.173 3.542 1.00 0.00 O ATOM 437 CB GLU A 33 5.813 -0.675 3.478 1.00 0.00 C ATOM 438 CG GLU A 33 6.420 0.253 2.439 1.00 0.00 C ATOM 439 CD GLU A 33 7.569 -0.388 1.685 1.00 0.00 C ATOM 440 OE1 GLU A 33 8.441 -0.998 2.338 1.00 0.00 O ATOM 441 OE2 GLU A 33 7.596 -0.279 0.441 1.00 0.00 O ATOM 0 H GLU A 33 3.902 -1.670 4.731 1.00 0.00 H new ATOM 0 HA GLU A 33 5.806 0.400 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.603 -1.288 3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.118 -1.354 2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.648 0.554 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.773 1.160 2.929 1.00 0.00 H new ATOM 448 N ILE A 34 5.003 2.436 4.120 1.00 0.00 N ATOM 449 CA ILE A 34 4.421 3.675 3.619 1.00 0.00 C ATOM 450 C ILE A 34 5.116 4.131 2.340 1.00 0.00 C ATOM 451 O ILE A 34 6.300 4.471 2.353 1.00 0.00 O ATOM 452 CB ILE A 34 4.506 4.801 4.666 1.00 0.00 C ATOM 453 CG1 ILE A 34 3.850 4.360 5.976 1.00 0.00 C ATOM 454 CG2 ILE A 34 3.848 6.067 4.137 1.00 0.00 C ATOM 455 CD1 ILE A 34 2.366 4.096 5.849 1.00 0.00 C ATOM 0 H ILE A 34 5.932 2.541 4.529 1.00 0.00 H new ATOM 0 HA ILE A 34 3.372 3.467 3.406 1.00 0.00 H new ATOM 0 HB ILE A 34 5.556 5.016 4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.343 3.456 6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.011 5.130 6.731 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.916 6.854 4.888 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.356 6.389 3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.800 5.867 3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.967 3.788 6.815 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.861 5.005 5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.198 3.305 5.118 1.00 0.00 H new ATOM 467 N ILE A 35 4.373 4.137 1.239 1.00 0.00 N ATOM 468 CA ILE A 35 4.917 4.554 -0.047 1.00 0.00 C ATOM 469 C ILE A 35 4.303 5.874 -0.502 1.00 0.00 C ATOM 470 O ILE A 35 3.412 6.415 0.153 1.00 0.00 O ATOM 471 CB ILE A 35 4.677 3.488 -1.133 1.00 0.00 C ATOM 472 CG1 ILE A 35 3.183 3.186 -1.260 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.454 2.220 -0.810 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.813 2.502 -2.557 1.00 0.00 C ATOM 0 H ILE A 35 3.392 3.858 1.212 1.00 0.00 H new ATOM 0 HA ILE A 35 5.990 4.684 0.092 1.00 0.00 H new ATOM 0 HB ILE A 35 5.032 3.876 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.876 2.555 -0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.624 4.118 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.275 1.476 -1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.519 2.448 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.126 1.827 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.739 2.319 -2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.089 3.140 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.345 1.553 -2.633 1.00 0.00 H new ATOM 486 N THR A 36 4.785 6.386 -1.630 1.00 0.00 N ATOM 487 CA THR A 36 4.284 7.642 -2.174 1.00 0.00 C ATOM 488 C THR A 36 3.331 7.396 -3.338 1.00 0.00 C ATOM 489 O THR A 36 3.699 6.772 -4.333 1.00 0.00 O ATOM 490 CB THR A 36 5.435 8.548 -2.650 1.00 0.00 C ATOM 491 OG1 THR A 36 6.597 8.328 -1.842 1.00 0.00 O ATOM 492 CG2 THR A 36 5.034 10.013 -2.584 1.00 0.00 C ATOM 0 H THR A 36 5.522 5.950 -2.185 1.00 0.00 H new ATOM 0 HA THR A 36 3.747 8.143 -1.368 1.00 0.00 H new ATOM 0 HB THR A 36 5.661 8.297 -3.686 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.325 8.906 -2.152 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.863 10.633 -2.925 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.168 10.182 -3.223 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.783 10.276 -1.556 1.00 0.00 H new ATOM 500 N VAL A 37 2.104 7.891 -3.208 1.00 0.00 N ATOM 501 CA VAL A 37 1.098 7.726 -4.251 1.00 0.00 C ATOM 502 C VAL A 37 1.159 8.868 -5.259 1.00 0.00 C ATOM 503 O VAL A 37 1.109 10.042 -4.888 1.00 0.00 O ATOM 504 CB VAL A 37 -0.321 7.656 -3.656 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.340 7.346 -4.741 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.381 6.619 -2.544 1.00 0.00 C ATOM 0 H VAL A 37 1.783 8.410 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 37 1.318 6.786 -4.757 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.566 8.628 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.337 7.300 -4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.313 8.128 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.102 6.387 -5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.391 6.582 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.116 5.640 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.321 6.890 -1.755 1.00 0.00 H new ATOM 516 N THR A 38 1.268 8.518 -6.536 1.00 0.00 N ATOM 517 CA THR A 38 1.337 9.513 -7.599 1.00 0.00 C ATOM 518 C THR A 38 0.051 9.532 -8.418 1.00 0.00 C ATOM 519 O THR A 38 -0.399 10.589 -8.859 1.00 0.00 O ATOM 520 CB THR A 38 2.528 9.250 -8.539 1.00 0.00 C ATOM 521 OG1 THR A 38 2.482 7.902 -9.022 1.00 0.00 O ATOM 522 CG2 THR A 38 3.847 9.492 -7.823 1.00 0.00 C ATOM 0 H THR A 38 1.310 7.552 -6.860 1.00 0.00 H new ATOM 0 HA THR A 38 1.472 10.481 -7.117 1.00 0.00 H new ATOM 0 HB THR A 38 2.458 9.940 -9.380 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.242 7.743 -9.620 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.673 9.300 -8.507 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.891 10.526 -7.482 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.923 8.824 -6.965 1.00 0.00 H new ATOM 530 N ASN A 39 -0.535 8.356 -8.618 1.00 0.00 N ATOM 531 CA ASN A 39 -1.770 8.239 -9.385 1.00 0.00 C ATOM 532 C ASN A 39 -2.800 7.402 -8.632 1.00 0.00 C ATOM 533 O ASN A 39 -2.976 6.211 -8.889 1.00 0.00 O ATOM 534 CB ASN A 39 -1.488 7.613 -10.752 1.00 0.00 C ATOM 535 CG ASN A 39 -2.663 7.744 -11.701 1.00 0.00 C ATOM 536 OD1 ASN A 39 -3.602 8.498 -11.444 1.00 0.00 O ATOM 537 ND2 ASN A 39 -2.616 7.009 -12.806 1.00 0.00 N ATOM 0 H ASN A 39 -0.175 7.471 -8.260 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.176 9.240 -9.528 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.613 8.090 -11.193 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.245 6.558 -10.622 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.378 7.056 -13.482 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.818 6.398 -12.978 1.00 0.00 H new ATOM 544 N PRO A 40 -3.498 8.038 -7.680 1.00 0.00 N ATOM 545 CA PRO A 40 -4.523 7.372 -6.871 1.00 0.00 C ATOM 546 C PRO A 40 -5.765 7.020 -7.684 1.00 0.00 C ATOM 547 O PRO A 40 -6.591 6.216 -7.256 1.00 0.00 O ATOM 548 CB PRO A 40 -4.862 8.412 -5.801 1.00 0.00 C ATOM 549 CG PRO A 40 -4.518 9.721 -6.422 1.00 0.00 C ATOM 550 CD PRO A 40 -3.341 9.457 -7.320 1.00 0.00 C ATOM 0 HA PRO A 40 -4.170 6.424 -6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.916 8.369 -5.527 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.289 8.243 -4.889 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.360 10.117 -6.989 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.270 10.461 -5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.356 10.099 -8.201 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.396 9.640 -6.808 1.00 0.00 H new ATOM 558 N ASN A 41 -5.889 7.629 -8.859 1.00 0.00 N ATOM 559 CA ASN A 41 -7.031 7.380 -9.732 1.00 0.00 C ATOM 560 C ASN A 41 -6.572 6.881 -11.099 1.00 0.00 C ATOM 561 O ASN A 41 -6.854 7.500 -12.125 1.00 0.00 O ATOM 562 CB ASN A 41 -7.863 8.653 -9.894 1.00 0.00 C ATOM 563 CG ASN A 41 -8.413 9.156 -8.574 1.00 0.00 C ATOM 564 OD1 ASN A 41 -7.684 9.725 -7.761 1.00 0.00 O ATOM 565 ND2 ASN A 41 -9.706 8.948 -8.354 1.00 0.00 N ATOM 0 H ASN A 41 -5.213 8.298 -9.228 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.647 6.608 -9.271 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.248 9.430 -10.348 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.689 8.459 -10.578 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.132 9.264 -7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.273 8.472 -9.056 1.00 0.00 H new ATOM 572 N VAL A 42 -5.862 5.757 -11.105 1.00 0.00 N ATOM 573 CA VAL A 42 -5.365 5.174 -12.346 1.00 0.00 C ATOM 574 C VAL A 42 -6.453 5.141 -13.412 1.00 0.00 C ATOM 575 O VAL A 42 -6.366 5.833 -14.426 1.00 0.00 O ATOM 576 CB VAL A 42 -4.837 3.744 -12.122 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.283 3.170 -13.417 1.00 0.00 C ATOM 578 CG2 VAL A 42 -3.780 3.732 -11.028 1.00 0.00 C ATOM 0 H VAL A 42 -5.618 5.232 -10.265 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.546 5.807 -12.687 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.667 3.115 -11.800 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.915 2.160 -13.239 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.071 3.142 -14.169 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.465 3.797 -13.772 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.418 2.714 -10.883 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.949 4.375 -11.318 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.215 4.098 -10.098 1.00 0.00 H new ATOM 588 N GLY A 43 -7.481 4.331 -13.177 1.00 0.00 N ATOM 589 CA GLY A 43 -8.574 4.223 -14.126 1.00 0.00 C ATOM 590 C GLY A 43 -9.337 2.921 -13.986 1.00 0.00 C ATOM 591 O GLY A 43 -9.686 2.287 -14.981 1.00 0.00 O ATOM 0 H GLY A 43 -7.576 3.747 -12.346 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.259 5.059 -13.983 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.180 4.303 -15.139 1.00 0.00 H new ATOM 595 N GLY A 44 -9.596 2.519 -12.745 1.00 0.00 N ATOM 596 CA GLY A 44 -10.319 1.285 -12.501 1.00 0.00 C ATOM 597 C GLY A 44 -10.228 0.835 -11.056 1.00 0.00 C ATOM 598 O GLY A 44 -10.235 -0.361 -10.769 1.00 0.00 O ATOM 0 H GLY A 44 -9.318 3.026 -11.905 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.366 1.422 -12.770 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.923 0.502 -13.148 1.00 0.00 H new ATOM 602 N GLY A 45 -10.140 1.798 -10.142 1.00 0.00 N ATOM 603 CA GLY A 45 -10.046 1.475 -8.731 1.00 0.00 C ATOM 604 C GLY A 45 -8.626 1.167 -8.300 1.00 0.00 C ATOM 605 O GLY A 45 -8.389 0.772 -7.158 1.00 0.00 O ATOM 0 H GLY A 45 -10.132 2.796 -10.355 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.427 2.311 -8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.682 0.617 -8.515 1.00 0.00 H new ATOM 609 N TRP A 46 -7.680 1.346 -9.214 1.00 0.00 N ATOM 610 CA TRP A 46 -6.275 1.083 -8.923 1.00 0.00 C ATOM 611 C TRP A 46 -5.509 2.385 -8.720 1.00 0.00 C ATOM 612 O TRP A 46 -5.952 3.452 -9.147 1.00 0.00 O ATOM 613 CB TRP A 46 -5.641 0.275 -10.055 1.00 0.00 C ATOM 614 CG TRP A 46 -6.046 -1.168 -10.054 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.307 -1.665 -10.222 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.187 -2.300 -9.876 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.284 -3.038 -10.158 1.00 0.00 N ATOM 618 CE2 TRP A 46 -5.995 -3.451 -9.947 1.00 0.00 C ATOM 619 CE3 TRP A 46 -3.814 -2.452 -9.665 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -5.474 -4.735 -9.813 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -3.298 -3.727 -9.532 1.00 0.00 C ATOM 622 CH2 TRP A 46 -4.126 -4.855 -9.607 1.00 0.00 C ATOM 0 H TRP A 46 -7.860 1.672 -10.164 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.223 0.505 -8.001 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.918 0.722 -11.010 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.556 0.340 -9.975 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.192 -1.067 -10.382 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.095 -3.650 -10.252 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.168 -1.589 -9.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -6.111 -5.606 -9.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.238 -3.856 -9.367 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.692 -5.838 -9.500 1.00 0.00 H new ATOM 633 N LEU A 47 -4.356 2.292 -8.065 1.00 0.00 N ATOM 634 CA LEU A 47 -3.527 3.464 -7.806 1.00 0.00 C ATOM 635 C LEU A 47 -2.078 3.205 -8.206 1.00 0.00 C ATOM 636 O LEU A 47 -1.678 2.061 -8.419 1.00 0.00 O ATOM 637 CB LEU A 47 -3.599 3.847 -6.327 1.00 0.00 C ATOM 638 CG LEU A 47 -2.984 2.849 -5.345 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.478 3.044 -5.258 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.622 2.991 -3.970 1.00 0.00 C ATOM 0 H LEU A 47 -3.975 1.418 -7.704 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.909 4.289 -8.408 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.102 4.808 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.646 3.991 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.179 1.841 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.058 2.325 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.034 2.891 -6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.261 4.056 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.172 2.273 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.459 4.002 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.693 2.800 -4.044 1.00 0.00 H new ATOM 652 N GLU A 48 -1.296 4.276 -8.305 1.00 0.00 N ATOM 653 CA GLU A 48 0.109 4.163 -8.678 1.00 0.00 C ATOM 654 C GLU A 48 1.007 4.774 -7.606 1.00 0.00 C ATOM 655 O GLU A 48 0.721 5.848 -7.078 1.00 0.00 O ATOM 656 CB GLU A 48 0.359 4.852 -10.021 1.00 0.00 C ATOM 657 CG GLU A 48 1.609 4.361 -10.733 1.00 0.00 C ATOM 658 CD GLU A 48 1.817 5.031 -12.077 1.00 0.00 C ATOM 659 OE1 GLU A 48 0.809 5.382 -12.726 1.00 0.00 O ATOM 660 OE2 GLU A 48 2.986 5.206 -12.479 1.00 0.00 O ATOM 0 H GLU A 48 -1.612 5.230 -8.132 1.00 0.00 H new ATOM 0 HA GLU A 48 0.351 3.104 -8.770 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.504 4.693 -10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.442 5.927 -9.859 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.478 4.545 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.541 3.283 -10.876 1.00 0.00 H new ATOM 667 N GLY A 49 2.096 4.079 -7.288 1.00 0.00 N ATOM 668 CA GLY A 49 3.019 4.567 -6.281 1.00 0.00 C ATOM 669 C GLY A 49 4.468 4.346 -6.666 1.00 0.00 C ATOM 670 O GLY A 49 4.771 3.513 -7.521 1.00 0.00 O ATOM 0 H GLY A 49 2.355 3.187 -7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.847 5.631 -6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.817 4.066 -5.334 1.00 0.00 H new ATOM 674 N LYS A 50 5.367 5.095 -6.037 1.00 0.00 N ATOM 675 CA LYS A 50 6.793 4.977 -6.318 1.00 0.00 C ATOM 676 C LYS A 50 7.556 4.512 -5.082 1.00 0.00 C ATOM 677 O LYS A 50 7.180 4.830 -3.954 1.00 0.00 O ATOM 678 CB LYS A 50 7.351 6.319 -6.799 1.00 0.00 C ATOM 679 CG LYS A 50 8.860 6.323 -6.974 1.00 0.00 C ATOM 680 CD LYS A 50 9.326 7.531 -7.770 1.00 0.00 C ATOM 681 CE LYS A 50 9.559 8.735 -6.870 1.00 0.00 C ATOM 682 NZ LYS A 50 10.664 8.496 -5.901 1.00 0.00 N ATOM 0 H LYS A 50 5.133 5.791 -5.329 1.00 0.00 H new ATOM 0 HA LYS A 50 6.922 4.233 -7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.883 6.578 -7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.074 7.095 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.341 6.323 -5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.171 5.410 -7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.247 7.287 -8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.581 7.779 -8.526 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.794 9.606 -7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.643 8.965 -6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.032 9.408 -5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.306 7.946 -5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.428 7.967 -6.369 1.00 0.00 H new ATOM 696 N ASN A 51 8.628 3.759 -5.302 1.00 0.00 N ATOM 697 CA ASN A 51 9.444 3.251 -4.205 1.00 0.00 C ATOM 698 C ASN A 51 10.801 3.946 -4.168 1.00 0.00 C ATOM 699 O ASN A 51 11.131 4.731 -5.056 1.00 0.00 O ATOM 700 CB ASN A 51 9.636 1.739 -4.343 1.00 0.00 C ATOM 701 CG ASN A 51 10.668 1.381 -5.395 1.00 0.00 C ATOM 702 OD1 ASN A 51 11.251 2.259 -6.032 1.00 0.00 O ATOM 703 ND2 ASN A 51 10.899 0.087 -5.581 1.00 0.00 N ATOM 0 H ASN A 51 8.952 3.487 -6.230 1.00 0.00 H new ATOM 0 HA ASN A 51 8.923 3.461 -3.271 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.942 1.325 -3.382 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.683 1.276 -4.600 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.583 -0.214 -6.275 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.392 -0.606 -5.030 1.00 0.00 H new ATOM 710 N ASN A 52 11.584 3.651 -3.135 1.00 0.00 N ATOM 711 CA ASN A 52 12.905 4.248 -2.983 1.00 0.00 C ATOM 712 C ASN A 52 13.743 4.044 -4.242 1.00 0.00 C ATOM 713 O ASN A 52 14.606 4.860 -4.566 1.00 0.00 O ATOM 714 CB ASN A 52 13.625 3.644 -1.775 1.00 0.00 C ATOM 715 CG ASN A 52 14.935 4.344 -1.472 1.00 0.00 C ATOM 716 OD1 ASN A 52 15.380 5.207 -2.229 1.00 0.00 O ATOM 717 ND2 ASN A 52 15.560 3.975 -0.361 1.00 0.00 N ATOM 0 H ASN A 52 11.326 3.002 -2.391 1.00 0.00 H new ATOM 0 HA ASN A 52 12.776 5.318 -2.823 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.975 3.702 -0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.816 2.587 -1.961 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.446 4.411 -0.105 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.154 3.255 0.237 1.00 0.00 H new ATOM 724 N LYS A 53 13.481 2.950 -4.949 1.00 0.00 N ATOM 725 CA LYS A 53 14.208 2.638 -6.174 1.00 0.00 C ATOM 726 C LYS A 53 13.517 3.251 -7.387 1.00 0.00 C ATOM 727 O LYS A 53 13.523 2.674 -8.474 1.00 0.00 O ATOM 728 CB LYS A 53 14.324 1.123 -6.350 1.00 0.00 C ATOM 729 CG LYS A 53 15.504 0.513 -5.614 1.00 0.00 C ATOM 730 CD LYS A 53 15.696 -0.949 -5.981 1.00 0.00 C ATOM 731 CE LYS A 53 14.823 -1.857 -5.128 1.00 0.00 C ATOM 732 NZ LYS A 53 14.560 -3.162 -5.796 1.00 0.00 N ATOM 0 H LYS A 53 12.770 2.264 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 53 15.208 3.065 -6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.405 0.654 -5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.412 0.895 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 53 16.410 1.071 -5.852 1.00 0.00 H new ATOM 0 HG3 LYS A 53 15.348 0.602 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.455 -1.096 -7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.743 -1.223 -5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.310 -2.032 -4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.876 -1.359 -4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.140 -3.824 -5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.902 -3.020 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.454 -3.555 -6.154 1.00 0.00 H new ATOM 746 N GLY A 54 12.923 4.425 -7.195 1.00 0.00 N ATOM 747 CA GLY A 54 12.237 5.096 -8.283 1.00 0.00 C ATOM 748 C GLY A 54 11.466 4.134 -9.165 1.00 0.00 C ATOM 749 O GLY A 54 11.500 4.242 -10.390 1.00 0.00 O ATOM 0 H GLY A 54 12.905 4.923 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.551 5.837 -7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.965 5.636 -8.889 1.00 0.00 H new ATOM 753 N GLU A 55 10.770 3.189 -8.540 1.00 0.00 N ATOM 754 CA GLU A 55 9.990 2.202 -9.277 1.00 0.00 C ATOM 755 C GLU A 55 8.496 2.479 -9.141 1.00 0.00 C ATOM 756 O GLU A 55 7.963 2.535 -8.033 1.00 0.00 O ATOM 757 CB GLU A 55 10.306 0.791 -8.775 1.00 0.00 C ATOM 758 CG GLU A 55 11.769 0.406 -8.923 1.00 0.00 C ATOM 759 CD GLU A 55 11.984 -1.094 -8.879 1.00 0.00 C ATOM 760 OE1 GLU A 55 11.539 -1.785 -9.820 1.00 0.00 O ATOM 761 OE2 GLU A 55 12.597 -1.578 -7.905 1.00 0.00 O ATOM 0 H GLU A 55 10.731 3.086 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 55 10.262 2.274 -10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.024 0.716 -7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.693 0.074 -9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.150 0.796 -9.867 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.347 0.876 -8.127 1.00 0.00 H new ATOM 768 N GLN A 56 7.827 2.651 -10.277 1.00 0.00 N ATOM 769 CA GLN A 56 6.394 2.923 -10.285 1.00 0.00 C ATOM 770 C GLN A 56 5.611 1.704 -10.761 1.00 0.00 C ATOM 771 O GLN A 56 5.901 1.141 -11.816 1.00 0.00 O ATOM 772 CB GLN A 56 6.087 4.124 -11.182 1.00 0.00 C ATOM 773 CG GLN A 56 6.162 5.459 -10.458 1.00 0.00 C ATOM 774 CD GLN A 56 6.309 6.630 -11.409 1.00 0.00 C ATOM 775 OE1 GLN A 56 5.627 6.705 -12.431 1.00 0.00 O ATOM 776 NE2 GLN A 56 7.204 7.554 -11.076 1.00 0.00 N ATOM 0 H GLN A 56 8.254 2.607 -11.202 1.00 0.00 H new ATOM 0 HA GLN A 56 6.087 3.153 -9.265 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.788 4.133 -12.016 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.090 4.005 -11.605 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.262 5.594 -9.858 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.006 5.447 -9.769 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.748 7.452 -10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.347 8.365 -11.677 1.00 0.00 H new ATOM 785 N GLY A 57 4.617 1.302 -9.976 1.00 0.00 N ATOM 786 CA GLY A 57 3.808 0.151 -10.334 1.00 0.00 C ATOM 787 C GLY A 57 2.354 0.319 -9.938 1.00 0.00 C ATOM 788 O GLY A 57 2.026 1.150 -9.090 1.00 0.00 O ATOM 0 H GLY A 57 4.357 1.752 -9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.872 -0.014 -11.410 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.213 -0.738 -9.851 1.00 0.00 H new ATOM 792 N LEU A 58 1.481 -0.471 -10.552 1.00 0.00 N ATOM 793 CA LEU A 58 0.053 -0.405 -10.260 1.00 0.00 C ATOM 794 C LEU A 58 -0.293 -1.251 -9.039 1.00 0.00 C ATOM 795 O LEU A 58 0.070 -2.425 -8.961 1.00 0.00 O ATOM 796 CB LEU A 58 -0.757 -0.879 -11.468 1.00 0.00 C ATOM 797 CG LEU A 58 -0.672 -0.004 -12.719 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.205 -0.752 -13.931 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.436 1.296 -12.513 1.00 0.00 C ATOM 0 H LEU A 58 1.736 -1.165 -11.255 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.201 0.633 -10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.427 -1.884 -11.729 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.803 -0.954 -11.172 1.00 0.00 H new ATOM 0 HG LEU A 58 0.375 0.238 -12.900 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.137 -0.113 -14.812 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.615 -1.654 -14.090 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.246 -1.025 -13.761 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.365 1.906 -13.413 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.483 1.074 -12.307 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.008 1.840 -11.671 1.00 0.00 H new ATOM 811 N VAL A 59 -0.997 -0.647 -8.087 1.00 0.00 N ATOM 812 CA VAL A 59 -1.395 -1.345 -6.870 1.00 0.00 C ATOM 813 C VAL A 59 -2.884 -1.166 -6.595 1.00 0.00 C ATOM 814 O VAL A 59 -3.445 -0.083 -6.761 1.00 0.00 O ATOM 815 CB VAL A 59 -0.596 -0.848 -5.651 1.00 0.00 C ATOM 816 CG1 VAL A 59 -1.082 -1.528 -4.380 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.893 -1.087 -5.857 1.00 0.00 C ATOM 0 H VAL A 59 -1.304 0.325 -8.135 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.182 -2.402 -7.028 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.758 0.225 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.506 -1.164 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.137 -1.302 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.952 -2.606 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.443 -0.730 -4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.075 -2.153 -5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.229 -0.549 -6.744 1.00 0.00 H new ATOM 827 N PRO A 60 -3.541 -2.253 -6.165 1.00 0.00 N ATOM 828 CA PRO A 60 -4.974 -2.242 -5.856 1.00 0.00 C ATOM 829 C PRO A 60 -5.291 -1.433 -4.603 1.00 0.00 C ATOM 830 O PRO A 60 -4.786 -1.725 -3.518 1.00 0.00 O ATOM 831 CB PRO A 60 -5.302 -3.720 -5.635 1.00 0.00 C ATOM 832 CG PRO A 60 -4.011 -4.336 -5.217 1.00 0.00 C ATOM 833 CD PRO A 60 -2.935 -3.577 -5.945 1.00 0.00 C ATOM 0 HA PRO A 60 -5.558 -1.776 -6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.067 -3.846 -4.869 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.684 -4.181 -6.546 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.876 -4.265 -4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.983 -5.395 -5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.022 -3.508 -5.354 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.670 -4.059 -6.886 1.00 0.00 H new ATOM 841 N THR A 61 -6.130 -0.414 -4.758 1.00 0.00 N ATOM 842 CA THR A 61 -6.514 0.437 -3.639 1.00 0.00 C ATOM 843 C THR A 61 -7.216 -0.367 -2.551 1.00 0.00 C ATOM 844 O THR A 61 -7.443 0.129 -1.447 1.00 0.00 O ATOM 845 CB THR A 61 -7.440 1.581 -4.094 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.667 1.046 -4.601 1.00 0.00 O ATOM 847 CG2 THR A 61 -6.768 2.426 -5.167 1.00 0.00 C ATOM 0 H THR A 61 -6.557 -0.158 -5.648 1.00 0.00 H new ATOM 0 HA THR A 61 -5.594 0.862 -3.237 1.00 0.00 H new ATOM 0 HB THR A 61 -7.649 2.214 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.556 0.811 -5.546 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.440 3.228 -5.473 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.849 2.856 -4.769 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.533 1.801 -6.028 1.00 0.00 H new ATOM 855 N ASP A 62 -7.558 -1.611 -2.870 1.00 0.00 N ATOM 856 CA ASP A 62 -8.234 -2.485 -1.918 1.00 0.00 C ATOM 857 C ASP A 62 -7.242 -3.067 -0.915 1.00 0.00 C ATOM 858 O ASP A 62 -7.620 -3.467 0.186 1.00 0.00 O ATOM 859 CB ASP A 62 -8.955 -3.615 -2.655 1.00 0.00 C ATOM 860 CG ASP A 62 -10.375 -3.245 -3.035 1.00 0.00 C ATOM 861 OD1 ASP A 62 -10.660 -2.035 -3.158 1.00 0.00 O ATOM 862 OD2 ASP A 62 -11.201 -4.165 -3.210 1.00 0.00 O ATOM 0 H ASP A 62 -7.378 -2.036 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.967 -1.890 -1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.396 -3.872 -3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.971 -4.504 -2.025 1.00 0.00 H new ATOM 867 N TYR A 63 -5.973 -3.112 -1.304 1.00 0.00 N ATOM 868 CA TYR A 63 -4.928 -3.648 -0.441 1.00 0.00 C ATOM 869 C TYR A 63 -4.362 -2.561 0.468 1.00 0.00 C ATOM 870 O TYR A 63 -3.997 -2.822 1.615 1.00 0.00 O ATOM 871 CB TYR A 63 -3.806 -4.259 -1.282 1.00 0.00 C ATOM 872 CG TYR A 63 -4.085 -5.679 -1.723 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.230 -5.990 -2.446 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.204 -6.708 -1.416 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.489 -7.285 -2.851 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.455 -8.006 -1.817 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.599 -8.290 -2.534 1.00 0.00 C ATOM 878 OH TYR A 63 -4.852 -9.581 -2.934 1.00 0.00 O ATOM 0 H TYR A 63 -5.643 -2.784 -2.212 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.370 -4.425 0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.645 -3.639 -2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.881 -4.241 -0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.929 -5.206 -2.696 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.308 -6.490 -0.854 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.384 -7.509 -3.413 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.759 -8.794 -1.570 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.126 -10.166 -2.631 1.00 0.00 H new ATOM 888 N VAL A 64 -4.292 -1.340 -0.052 1.00 0.00 N ATOM 889 CA VAL A 64 -3.773 -0.212 0.711 1.00 0.00 C ATOM 890 C VAL A 64 -4.815 0.894 0.835 1.00 0.00 C ATOM 891 O VAL A 64 -5.630 1.095 -0.065 1.00 0.00 O ATOM 892 CB VAL A 64 -2.501 0.367 0.064 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.591 -0.753 -0.418 1.00 0.00 C ATOM 894 CG2 VAL A 64 -2.864 1.300 -1.082 1.00 0.00 C ATOM 0 H VAL A 64 -4.589 -1.107 -1.000 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.527 -0.589 1.704 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.962 0.944 0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.697 -0.325 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.305 -1.378 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.118 -1.359 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.953 1.700 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.425 0.749 -1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.474 2.121 -0.704 1.00 0.00 H new ATOM 904 N GLU A 65 -4.782 1.609 1.956 1.00 0.00 N ATOM 905 CA GLU A 65 -5.724 2.695 2.197 1.00 0.00 C ATOM 906 C GLU A 65 -5.011 4.044 2.196 1.00 0.00 C ATOM 907 O GLU A 65 -3.969 4.207 2.830 1.00 0.00 O ATOM 908 CB GLU A 65 -6.445 2.488 3.530 1.00 0.00 C ATOM 909 CG GLU A 65 -7.441 3.587 3.861 1.00 0.00 C ATOM 910 CD GLU A 65 -8.537 3.118 4.798 1.00 0.00 C ATOM 911 OE1 GLU A 65 -9.384 2.310 4.363 1.00 0.00 O ATOM 912 OE2 GLU A 65 -8.548 3.560 5.966 1.00 0.00 O ATOM 0 H GLU A 65 -4.113 1.455 2.711 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.458 2.691 1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.967 1.531 3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.705 2.428 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.913 4.425 4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.890 3.955 2.939 1.00 0.00 H new ATOM 919 N ILE A 66 -5.581 5.007 1.479 1.00 0.00 N ATOM 920 CA ILE A 66 -5.001 6.342 1.396 1.00 0.00 C ATOM 921 C ILE A 66 -5.346 7.169 2.629 1.00 0.00 C ATOM 922 O ILE A 66 -6.500 7.213 3.058 1.00 0.00 O ATOM 923 CB ILE A 66 -5.485 7.089 0.139 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.955 6.404 -1.123 1.00 0.00 C ATOM 925 CG2 ILE A 66 -5.042 8.544 0.184 1.00 0.00 C ATOM 926 CD1 ILE A 66 -5.348 7.109 -2.403 1.00 0.00 C ATOM 0 H ILE A 66 -6.443 4.888 0.948 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.920 6.213 1.339 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.574 7.062 0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.868 6.348 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.325 5.379 -1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.392 9.059 -0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.463 9.025 1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.954 8.592 0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.938 6.569 -3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.435 7.141 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.954 8.125 -2.394 1.00 0.00 H new ATOM 938 N LEU A 67 -4.339 7.825 3.196 1.00 0.00 N ATOM 939 CA LEU A 67 -4.536 8.654 4.380 1.00 0.00 C ATOM 940 C LEU A 67 -4.762 10.112 3.993 1.00 0.00 C ATOM 941 O LEU A 67 -4.189 10.620 3.029 1.00 0.00 O ATOM 942 CB LEU A 67 -3.327 8.544 5.310 1.00 0.00 C ATOM 943 CG LEU A 67 -2.754 7.139 5.502 1.00 0.00 C ATOM 944 CD1 LEU A 67 -1.342 7.211 6.063 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.651 6.318 6.416 1.00 0.00 C ATOM 0 H LEU A 67 -3.378 7.799 2.855 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.423 8.294 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.537 9.187 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.608 8.937 6.287 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.713 6.648 4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.950 6.202 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.704 7.762 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.359 7.721 7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.228 5.321 6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.724 6.806 7.388 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.644 6.238 5.974 1.00 0.00 H new ATOM 957 N PRO A 68 -5.616 10.803 4.762 1.00 0.00 N ATOM 958 CA PRO A 68 -5.936 12.213 4.521 1.00 0.00 C ATOM 959 C PRO A 68 -4.761 13.135 4.828 1.00 0.00 C ATOM 960 O PRO A 68 -3.975 12.872 5.736 1.00 0.00 O ATOM 961 CB PRO A 68 -7.094 12.484 5.485 1.00 0.00 C ATOM 962 CG PRO A 68 -6.920 11.485 6.576 1.00 0.00 C ATOM 963 CD PRO A 68 -6.335 10.261 5.928 1.00 0.00 C ATOM 0 HA PRO A 68 -6.180 12.402 3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.057 13.503 5.871 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.058 12.365 4.990 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.260 11.868 7.354 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.874 11.257 7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.664 9.731 6.603 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.110 9.555 5.630 1.00 0.00 H new