USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=10 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 Set 1.1: A 51 ASN : amide:sc= -3.77! C(o=-7!,f=-18!) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -162:sc= -3.24! (180deg=-2.05!) USER MOD Single : A 10 THR OG1 : rot 27:sc= 0.0758 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -172:sc= 0 (180deg=-0.129) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.564 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0449 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -45:sc= 0.781 USER MOD Single : A 39 ASN : amide:sc= -0.191 K(o=-0.19,f=-2) USER MOD Single : A 41 ASN : amide:sc= -1.16 K(o=-1.2,f=-5.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc=-0.00211 K(o=-0.0021,f=-1.5) USER MOD Single : A 56 GLN : amide:sc= -0.19 K(o=-0.19,f=-2.2!) USER MOD Single : A 61 THR OG1 : rot -102:sc= 1.22 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N THR A 10 0.517 12.853 -1.294 1.00 0.00 N ATOM 94 CA THR A 10 -0.405 11.876 -0.729 1.00 0.00 C ATOM 95 C THR A 10 0.326 10.602 -0.321 1.00 0.00 C ATOM 96 O THR A 10 1.213 10.128 -1.031 1.00 0.00 O ATOM 97 CB THR A 10 -1.523 11.517 -1.726 1.00 0.00 C ATOM 98 OG1 THR A 10 -2.231 12.699 -2.115 1.00 0.00 O ATOM 99 CG2 THR A 10 -2.492 10.517 -1.114 1.00 0.00 C ATOM 0 HA THR A 10 -0.850 12.335 0.154 1.00 0.00 H new ATOM 0 HB THR A 10 -1.065 11.064 -2.605 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.641 13.477 -2.028 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.273 10.278 -1.836 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.955 9.607 -0.846 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.944 10.948 -0.220 1.00 0.00 H new ATOM 107 N LYS A 11 -0.053 10.051 0.828 1.00 0.00 N ATOM 108 CA LYS A 11 0.565 8.829 1.330 1.00 0.00 C ATOM 109 C LYS A 11 -0.485 7.751 1.578 1.00 0.00 C ATOM 110 O LYS A 11 -1.650 8.053 1.833 1.00 0.00 O ATOM 111 CB LYS A 11 1.331 9.116 2.624 1.00 0.00 C ATOM 112 CG LYS A 11 2.601 9.923 2.412 1.00 0.00 C ATOM 113 CD LYS A 11 3.678 9.098 1.729 1.00 0.00 C ATOM 114 CE LYS A 11 5.055 9.718 1.914 1.00 0.00 C ATOM 115 NZ LYS A 11 5.649 9.365 3.233 1.00 0.00 N ATOM 0 H LYS A 11 -0.785 10.431 1.428 1.00 0.00 H new ATOM 0 HA LYS A 11 1.262 8.466 0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.678 9.655 3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.587 8.171 3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.378 10.803 1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.970 10.281 3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.676 8.086 2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.455 9.015 0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.716 9.380 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.980 10.802 1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.587 9.806 3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.031 9.710 3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.745 8.332 3.305 1.00 0.00 H new ATOM 129 N ALA A 12 -0.064 6.493 1.502 1.00 0.00 N ATOM 130 CA ALA A 12 -0.967 5.370 1.721 1.00 0.00 C ATOM 131 C ALA A 12 -0.274 4.249 2.488 1.00 0.00 C ATOM 132 O ALA A 12 0.875 3.910 2.206 1.00 0.00 O ATOM 133 CB ALA A 12 -1.498 4.852 0.392 1.00 0.00 C ATOM 0 H ALA A 12 0.897 6.226 1.290 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.805 5.722 2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.171 4.013 0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.039 5.649 -0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.665 4.522 -0.229 1.00 0.00 H new ATOM 139 N ARG A 13 -0.980 3.679 3.459 1.00 0.00 N ATOM 140 CA ARG A 13 -0.431 2.598 4.269 1.00 0.00 C ATOM 141 C ARG A 13 -0.952 1.244 3.793 1.00 0.00 C ATOM 142 O ARG A 13 -2.145 1.080 3.540 1.00 0.00 O ATOM 143 CB ARG A 13 -0.787 2.804 5.742 1.00 0.00 C ATOM 144 CG ARG A 13 -0.566 1.569 6.601 1.00 0.00 C ATOM 145 CD ARG A 13 -1.809 0.695 6.649 1.00 0.00 C ATOM 146 NE ARG A 13 -1.685 -0.379 7.631 1.00 0.00 N ATOM 147 CZ ARG A 13 -2.721 -1.052 8.120 1.00 0.00 C ATOM 148 NH1 ARG A 13 -3.952 -0.763 7.719 1.00 0.00 N ATOM 149 NH2 ARG A 13 -2.528 -2.016 9.011 1.00 0.00 N ATOM 0 H ARG A 13 -1.933 3.948 3.704 1.00 0.00 H new ATOM 0 HA ARG A 13 0.653 2.610 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.190 3.624 6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.832 3.105 5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.270 0.993 6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.293 1.872 7.612 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.675 1.310 6.892 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.989 0.266 5.663 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.752 -0.626 7.960 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.105 -0.023 7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.746 -1.281 8.096 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.583 -2.242 9.322 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.325 -2.532 9.385 1.00 0.00 H new ATOM 163 N VAL A 14 -0.047 0.277 3.673 1.00 0.00 N ATOM 164 CA VAL A 14 -0.415 -1.062 3.228 1.00 0.00 C ATOM 165 C VAL A 14 -1.059 -1.858 4.358 1.00 0.00 C ATOM 166 O VAL A 14 -0.476 -2.016 5.430 1.00 0.00 O ATOM 167 CB VAL A 14 0.809 -1.835 2.703 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.375 -3.116 2.009 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.628 -0.961 1.764 1.00 0.00 C ATOM 0 H VAL A 14 0.945 0.396 3.878 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.133 -0.940 2.417 1.00 0.00 H new ATOM 0 HB VAL A 14 1.437 -2.106 3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.254 -3.648 1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.165 -3.747 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.275 -2.872 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.489 -1.523 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.011 -0.658 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.971 -0.075 2.298 1.00 0.00 H new ATOM 179 N MET A 15 -2.265 -2.358 4.109 1.00 0.00 N ATOM 180 CA MET A 15 -2.988 -3.141 5.105 1.00 0.00 C ATOM 181 C MET A 15 -2.574 -4.608 5.048 1.00 0.00 C ATOM 182 O MET A 15 -2.486 -5.278 6.078 1.00 0.00 O ATOM 183 CB MET A 15 -4.497 -3.016 4.886 1.00 0.00 C ATOM 184 CG MET A 15 -4.947 -1.603 4.552 1.00 0.00 C ATOM 185 SD MET A 15 -6.650 -1.281 5.051 1.00 0.00 S ATOM 186 CE MET A 15 -7.506 -1.505 3.494 1.00 0.00 C ATOM 0 H MET A 15 -2.762 -2.235 3.227 1.00 0.00 H new ATOM 0 HA MET A 15 -2.738 -2.749 6.091 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.795 -3.684 4.078 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.015 -3.351 5.784 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.287 -0.889 5.045 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.850 -1.439 3.479 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.547 -1.202 3.604 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.030 -0.895 2.726 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.462 -2.554 3.202 1.00 0.00 H new ATOM 196 N TYR A 16 -2.323 -5.101 3.841 1.00 0.00 N ATOM 197 CA TYR A 16 -1.921 -6.490 3.651 1.00 0.00 C ATOM 198 C TYR A 16 -0.697 -6.584 2.745 1.00 0.00 C ATOM 199 O TYR A 16 -0.584 -5.858 1.758 1.00 0.00 O ATOM 200 CB TYR A 16 -3.074 -7.299 3.055 1.00 0.00 C ATOM 201 CG TYR A 16 -4.415 -6.997 3.685 1.00 0.00 C ATOM 202 CD1 TYR A 16 -4.670 -7.320 5.012 1.00 0.00 C ATOM 203 CD2 TYR A 16 -5.427 -6.388 2.953 1.00 0.00 C ATOM 204 CE1 TYR A 16 -5.894 -7.047 5.591 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.654 -6.109 3.524 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.882 -6.441 4.843 1.00 0.00 C ATOM 207 OH TYR A 16 -8.103 -6.166 5.417 1.00 0.00 O ATOM 0 H TYR A 16 -2.391 -4.560 2.979 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.661 -6.903 4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.132 -7.100 1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.859 -8.361 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.898 -7.793 5.601 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.251 -6.128 1.920 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.076 -7.306 6.623 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.429 -5.634 2.941 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.686 -5.738 4.756 1.00 0.00 H new ATOM 217 N ASP A 17 0.217 -7.485 3.089 1.00 0.00 N ATOM 218 CA ASP A 17 1.433 -7.677 2.307 1.00 0.00 C ATOM 219 C ASP A 17 1.102 -8.160 0.898 1.00 0.00 C ATOM 220 O ASP A 17 0.668 -9.296 0.706 1.00 0.00 O ATOM 221 CB ASP A 17 2.357 -8.680 2.999 1.00 0.00 C ATOM 222 CG ASP A 17 2.323 -8.550 4.510 1.00 0.00 C ATOM 223 OD1 ASP A 17 1.401 -9.116 5.133 1.00 0.00 O ATOM 224 OD2 ASP A 17 3.219 -7.882 5.068 1.00 0.00 O ATOM 0 H ASP A 17 0.139 -8.094 3.904 1.00 0.00 H new ATOM 0 HA ASP A 17 1.943 -6.717 2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.066 -9.692 2.717 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.378 -8.532 2.647 1.00 0.00 H new ATOM 229 N PHE A 18 1.309 -7.290 -0.085 1.00 0.00 N ATOM 230 CA PHE A 18 1.031 -7.627 -1.476 1.00 0.00 C ATOM 231 C PHE A 18 2.327 -7.850 -2.251 1.00 0.00 C ATOM 232 O PHE A 18 3.339 -7.202 -1.988 1.00 0.00 O ATOM 233 CB PHE A 18 0.213 -6.516 -2.138 1.00 0.00 C ATOM 234 CG PHE A 18 -0.219 -6.844 -3.539 1.00 0.00 C ATOM 235 CD1 PHE A 18 -1.065 -7.912 -3.785 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.223 -6.083 -4.610 1.00 0.00 C ATOM 237 CE1 PHE A 18 -1.465 -8.216 -5.073 1.00 0.00 C ATOM 238 CE2 PHE A 18 -0.173 -6.382 -5.899 1.00 0.00 C ATOM 239 CZ PHE A 18 -1.017 -7.450 -6.132 1.00 0.00 C ATOM 0 H PHE A 18 1.668 -6.346 0.056 1.00 0.00 H new ATOM 0 HA PHE A 18 0.455 -8.552 -1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.670 -6.315 -1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.804 -5.600 -2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.417 -8.515 -2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.884 -5.247 -4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.127 -9.051 -5.251 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.177 -5.781 -6.725 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.326 -7.686 -7.140 1.00 0.00 H new ATOM 249 N ALA A 19 2.286 -8.773 -3.206 1.00 0.00 N ATOM 250 CA ALA A 19 3.455 -9.081 -4.020 1.00 0.00 C ATOM 251 C ALA A 19 3.156 -8.894 -5.504 1.00 0.00 C ATOM 252 O ALA A 19 2.095 -9.289 -5.987 1.00 0.00 O ATOM 253 CB ALA A 19 3.926 -10.503 -3.750 1.00 0.00 C ATOM 0 H ALA A 19 1.456 -9.320 -3.435 1.00 0.00 H new ATOM 0 HA ALA A 19 4.250 -8.388 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.800 -10.720 -4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.189 -10.606 -2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.127 -11.203 -3.995 1.00 0.00 H new ATOM 259 N ALA A 20 4.097 -8.289 -6.221 1.00 0.00 N ATOM 260 CA ALA A 20 3.934 -8.050 -7.649 1.00 0.00 C ATOM 261 C ALA A 20 4.791 -9.011 -8.467 1.00 0.00 C ATOM 262 O ALA A 20 5.978 -9.183 -8.195 1.00 0.00 O ATOM 263 CB ALA A 20 4.285 -6.609 -7.987 1.00 0.00 C ATOM 0 H ALA A 20 4.981 -7.955 -5.836 1.00 0.00 H new ATOM 0 HA ALA A 20 2.889 -8.227 -7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.159 -6.445 -9.057 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.628 -5.936 -7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.321 -6.412 -7.710 1.00 0.00 H new ATOM 319 N ASN A 25 3.437 -4.691 -14.595 1.00 0.00 N ATOM 320 CA ASN A 25 3.133 -3.286 -14.351 1.00 0.00 C ATOM 321 C ASN A 25 2.588 -3.085 -12.940 1.00 0.00 C ATOM 322 O ASN A 25 1.803 -2.170 -12.692 1.00 0.00 O ATOM 323 CB ASN A 25 2.121 -2.775 -15.378 1.00 0.00 C ATOM 324 CG ASN A 25 2.785 -2.289 -16.652 1.00 0.00 C ATOM 325 OD1 ASN A 25 3.324 -1.184 -16.701 1.00 0.00 O ATOM 326 ND2 ASN A 25 2.748 -3.116 -17.690 1.00 0.00 N ATOM 0 HA ASN A 25 4.058 -2.718 -14.449 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.418 -3.572 -15.619 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.542 -1.962 -14.940 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.178 -2.844 -18.574 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.290 -4.023 -17.603 1.00 0.00 H new ATOM 333 N GLU A 26 3.010 -3.946 -12.020 1.00 0.00 N ATOM 334 CA GLU A 26 2.564 -3.863 -10.634 1.00 0.00 C ATOM 335 C GLU A 26 3.744 -3.631 -9.695 1.00 0.00 C ATOM 336 O GLU A 26 4.889 -3.941 -10.030 1.00 0.00 O ATOM 337 CB GLU A 26 1.825 -5.142 -10.235 1.00 0.00 C ATOM 338 CG GLU A 26 0.464 -5.290 -10.896 1.00 0.00 C ATOM 339 CD GLU A 26 -0.454 -6.228 -10.137 1.00 0.00 C ATOM 340 OE1 GLU A 26 -0.918 -5.847 -9.042 1.00 0.00 O ATOM 341 OE2 GLU A 26 -0.709 -7.343 -10.638 1.00 0.00 O ATOM 0 H GLU A 26 3.660 -4.709 -12.209 1.00 0.00 H new ATOM 0 HA GLU A 26 1.883 -3.016 -10.549 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.441 -6.003 -10.494 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.697 -5.155 -9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.007 -4.310 -10.973 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.596 -5.661 -11.912 1.00 0.00 H new ATOM 348 N LEU A 27 3.458 -3.084 -8.519 1.00 0.00 N ATOM 349 CA LEU A 27 4.495 -2.809 -7.530 1.00 0.00 C ATOM 350 C LEU A 27 4.364 -3.742 -6.330 1.00 0.00 C ATOM 351 O LEU A 27 3.262 -4.150 -5.964 1.00 0.00 O ATOM 352 CB LEU A 27 4.416 -1.353 -7.070 1.00 0.00 C ATOM 353 CG LEU A 27 5.730 -0.721 -6.611 1.00 0.00 C ATOM 354 CD1 LEU A 27 6.705 -0.614 -7.773 1.00 0.00 C ATOM 355 CD2 LEU A 27 5.478 0.649 -5.997 1.00 0.00 C ATOM 0 H LEU A 27 2.517 -2.822 -8.227 1.00 0.00 H new ATOM 0 HA LEU A 27 5.464 -2.983 -7.998 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.016 -0.756 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.700 -1.290 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 27 6.172 -1.363 -5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.635 -0.162 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.910 -1.609 -8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.270 0.005 -8.557 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.425 1.084 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.013 1.300 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.816 0.546 -5.137 1.00 0.00 H new ATOM 367 N THR A 28 5.498 -4.074 -5.719 1.00 0.00 N ATOM 368 CA THR A 28 5.510 -4.957 -4.560 1.00 0.00 C ATOM 369 C THR A 28 5.617 -4.161 -3.264 1.00 0.00 C ATOM 370 O THR A 28 6.536 -3.360 -3.090 1.00 0.00 O ATOM 371 CB THR A 28 6.676 -5.961 -4.631 1.00 0.00 C ATOM 372 OG1 THR A 28 6.663 -6.639 -5.892 1.00 0.00 O ATOM 373 CG2 THR A 28 6.585 -6.977 -3.502 1.00 0.00 C ATOM 0 H THR A 28 6.419 -3.744 -6.008 1.00 0.00 H new ATOM 0 HA THR A 28 4.568 -5.505 -4.570 1.00 0.00 H new ATOM 0 HB THR A 28 7.609 -5.408 -4.526 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.408 -7.274 -5.930 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.419 -7.675 -3.573 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.625 -6.460 -2.543 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.646 -7.524 -3.580 1.00 0.00 H new ATOM 381 N VAL A 29 4.674 -4.388 -2.356 1.00 0.00 N ATOM 382 CA VAL A 29 4.663 -3.693 -1.074 1.00 0.00 C ATOM 383 C VAL A 29 4.437 -4.667 0.077 1.00 0.00 C ATOM 384 O VAL A 29 4.162 -5.848 -0.138 1.00 0.00 O ATOM 385 CB VAL A 29 3.573 -2.606 -1.034 1.00 0.00 C ATOM 386 CG1 VAL A 29 3.792 -1.589 -2.143 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.191 -3.233 -1.139 1.00 0.00 C ATOM 0 H VAL A 29 3.907 -5.048 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 29 5.639 -3.222 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 29 3.639 -2.085 -0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.012 -0.829 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.766 -1.117 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.755 -2.091 -3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.433 -2.450 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.110 -3.781 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.038 -3.918 -0.305 1.00 0.00 H new ATOM 397 N THR A 30 4.555 -4.164 1.302 1.00 0.00 N ATOM 398 CA THR A 30 4.364 -4.989 2.489 1.00 0.00 C ATOM 399 C THR A 30 3.510 -4.271 3.526 1.00 0.00 C ATOM 400 O THR A 30 3.436 -3.042 3.539 1.00 0.00 O ATOM 401 CB THR A 30 5.712 -5.375 3.127 1.00 0.00 C ATOM 402 OG1 THR A 30 6.422 -4.196 3.523 1.00 0.00 O ATOM 403 CG2 THR A 30 6.560 -6.181 2.156 1.00 0.00 C ATOM 0 H THR A 30 4.782 -3.189 1.498 1.00 0.00 H new ATOM 0 HA THR A 30 3.851 -5.895 2.166 1.00 0.00 H new ATOM 0 HB THR A 30 5.510 -5.989 4.004 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.277 -4.450 3.929 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.507 -6.442 2.629 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.030 -7.092 1.879 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.753 -5.588 1.262 1.00 0.00 H new ATOM 411 N GLU A 31 2.868 -5.044 4.396 1.00 0.00 N ATOM 412 CA GLU A 31 2.019 -4.479 5.438 1.00 0.00 C ATOM 413 C GLU A 31 2.815 -3.540 6.340 1.00 0.00 C ATOM 414 O GLU A 31 3.893 -3.889 6.820 1.00 0.00 O ATOM 415 CB GLU A 31 1.389 -5.595 6.275 1.00 0.00 C ATOM 416 CG GLU A 31 0.706 -5.098 7.538 1.00 0.00 C ATOM 417 CD GLU A 31 1.654 -5.011 8.718 1.00 0.00 C ATOM 418 OE1 GLU A 31 2.533 -5.890 8.840 1.00 0.00 O ATOM 419 OE2 GLU A 31 1.516 -4.064 9.520 1.00 0.00 O ATOM 0 H GLU A 31 2.920 -6.063 4.400 1.00 0.00 H new ATOM 0 HA GLU A 31 1.228 -3.906 4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.661 -6.128 5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.162 -6.313 6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.274 -4.115 7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.119 -5.766 7.788 1.00 0.00 H new ATOM 426 N GLY A 32 2.276 -2.346 6.564 1.00 0.00 N ATOM 427 CA GLY A 32 2.949 -1.374 7.406 1.00 0.00 C ATOM 428 C GLY A 32 3.864 -0.459 6.618 1.00 0.00 C ATOM 429 O GLY A 32 4.168 0.651 7.054 1.00 0.00 O ATOM 0 H GLY A 32 1.385 -2.034 6.177 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.204 -0.775 7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.530 -1.897 8.166 1.00 0.00 H new ATOM 433 N GLU A 33 4.307 -0.926 5.454 1.00 0.00 N ATOM 434 CA GLU A 33 5.195 -0.142 4.605 1.00 0.00 C ATOM 435 C GLU A 33 4.434 0.989 3.918 1.00 0.00 C ATOM 436 O GLU A 33 3.340 0.784 3.391 1.00 0.00 O ATOM 437 CB GLU A 33 5.856 -1.038 3.555 1.00 0.00 C ATOM 438 CG GLU A 33 6.668 -0.271 2.525 1.00 0.00 C ATOM 439 CD GLU A 33 7.914 0.360 3.117 1.00 0.00 C ATOM 440 OE1 GLU A 33 8.894 -0.375 3.358 1.00 0.00 O ATOM 441 OE2 GLU A 33 7.908 1.589 3.339 1.00 0.00 O ATOM 0 H GLU A 33 4.065 -1.843 5.078 1.00 0.00 H new ATOM 0 HA GLU A 33 5.967 0.295 5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.506 -1.754 4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.085 -1.613 3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.955 -0.946 1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.046 0.507 2.083 1.00 0.00 H new ATOM 448 N ILE A 34 5.020 2.181 3.930 1.00 0.00 N ATOM 449 CA ILE A 34 4.399 3.343 3.308 1.00 0.00 C ATOM 450 C ILE A 34 5.132 3.743 2.032 1.00 0.00 C ATOM 451 O ILE A 34 6.347 3.576 1.924 1.00 0.00 O ATOM 452 CB ILE A 34 4.370 4.547 4.268 1.00 0.00 C ATOM 453 CG1 ILE A 34 3.736 4.148 5.602 1.00 0.00 C ATOM 454 CG2 ILE A 34 3.611 5.707 3.641 1.00 0.00 C ATOM 455 CD1 ILE A 34 2.223 4.174 5.584 1.00 0.00 C ATOM 0 H ILE A 34 5.924 2.367 4.364 1.00 0.00 H new ATOM 0 HA ILE A 34 3.376 3.059 3.062 1.00 0.00 H new ATOM 0 HB ILE A 34 5.395 4.868 4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.071 3.146 5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.094 4.821 6.381 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.599 6.550 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.101 6.004 2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.587 5.399 3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.842 3.880 6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.879 5.181 5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.856 3.479 4.828 1.00 0.00 H new ATOM 467 N ILE A 35 4.386 4.272 1.069 1.00 0.00 N ATOM 468 CA ILE A 35 4.965 4.698 -0.199 1.00 0.00 C ATOM 469 C ILE A 35 4.372 6.027 -0.656 1.00 0.00 C ATOM 470 O ILE A 35 3.489 6.583 -0.003 1.00 0.00 O ATOM 471 CB ILE A 35 4.746 3.645 -1.301 1.00 0.00 C ATOM 472 CG1 ILE A 35 3.270 3.248 -1.371 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.617 2.424 -1.047 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.866 2.657 -2.703 1.00 0.00 C ATOM 0 H ILE A 35 3.379 4.416 1.142 1.00 0.00 H new ATOM 0 HA ILE A 35 6.035 4.819 -0.031 1.00 0.00 H new ATOM 0 HB ILE A 35 5.032 4.078 -2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.059 2.525 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.656 4.126 -1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.451 1.689 -1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.666 2.720 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.359 1.987 -0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.807 2.399 -2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.045 3.386 -3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.454 1.760 -2.896 1.00 0.00 H new ATOM 486 N THR A 36 4.862 6.531 -1.784 1.00 0.00 N ATOM 487 CA THR A 36 4.381 7.793 -2.330 1.00 0.00 C ATOM 488 C THR A 36 3.347 7.560 -3.426 1.00 0.00 C ATOM 489 O THR A 36 3.592 6.816 -4.376 1.00 0.00 O ATOM 490 CB THR A 36 5.537 8.636 -2.901 1.00 0.00 C ATOM 491 OG1 THR A 36 6.628 8.663 -1.974 1.00 0.00 O ATOM 492 CG2 THR A 36 5.078 10.056 -3.194 1.00 0.00 C ATOM 0 H THR A 36 5.593 6.084 -2.338 1.00 0.00 H new ATOM 0 HA THR A 36 3.917 8.337 -1.507 1.00 0.00 H new ATOM 0 HB THR A 36 5.865 8.178 -3.834 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.359 9.199 -2.345 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.911 10.632 -3.596 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.267 10.033 -3.922 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.726 10.522 -2.274 1.00 0.00 H new ATOM 500 N VAL A 37 2.191 8.201 -3.289 1.00 0.00 N ATOM 501 CA VAL A 37 1.120 8.064 -4.269 1.00 0.00 C ATOM 502 C VAL A 37 1.250 9.108 -5.373 1.00 0.00 C ATOM 503 O VAL A 37 1.370 10.303 -5.103 1.00 0.00 O ATOM 504 CB VAL A 37 -0.265 8.201 -3.609 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.361 8.210 -4.665 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.489 7.079 -2.606 1.00 0.00 C ATOM 0 H VAL A 37 1.972 8.820 -2.509 1.00 0.00 H new ATOM 0 HA VAL A 37 1.211 7.068 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.302 9.150 -3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.332 8.307 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.207 9.050 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.329 7.279 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.472 7.191 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.433 6.118 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.278 7.124 -1.833 1.00 0.00 H new ATOM 516 N THR A 38 1.224 8.648 -6.620 1.00 0.00 N ATOM 517 CA THR A 38 1.339 9.540 -7.767 1.00 0.00 C ATOM 518 C THR A 38 0.048 9.565 -8.576 1.00 0.00 C ATOM 519 O THR A 38 -0.435 10.630 -8.959 1.00 0.00 O ATOM 520 CB THR A 38 2.501 9.124 -8.688 1.00 0.00 C ATOM 521 OG1 THR A 38 2.353 7.753 -9.075 1.00 0.00 O ATOM 522 CG2 THR A 38 3.840 9.318 -7.992 1.00 0.00 C ATOM 0 H THR A 38 1.124 7.662 -6.861 1.00 0.00 H new ATOM 0 HA THR A 38 1.537 10.537 -7.373 1.00 0.00 H new ATOM 0 HB THR A 38 2.476 9.756 -9.575 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.120 7.215 -8.290 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.645 9.017 -8.662 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.963 10.368 -7.725 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.873 8.708 -7.089 1.00 0.00 H new ATOM 530 N ASN A 39 -0.508 8.385 -8.832 1.00 0.00 N ATOM 531 CA ASN A 39 -1.745 8.272 -9.596 1.00 0.00 C ATOM 532 C ASN A 39 -2.774 7.434 -8.845 1.00 0.00 C ATOM 533 O ASN A 39 -2.955 6.245 -9.109 1.00 0.00 O ATOM 534 CB ASN A 39 -1.467 7.651 -10.967 1.00 0.00 C ATOM 535 CG ASN A 39 -2.678 7.697 -11.878 1.00 0.00 C ATOM 536 OD1 ASN A 39 -3.739 8.190 -11.495 1.00 0.00 O ATOM 537 ND2 ASN A 39 -2.524 7.182 -13.092 1.00 0.00 N ATOM 0 H ASN A 39 -0.121 7.494 -8.521 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.150 9.274 -9.734 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.639 8.178 -11.441 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.153 6.615 -10.837 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.304 7.185 -13.750 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.626 6.784 -13.367 1.00 0.00 H new ATOM 544 N PRO A 40 -3.466 8.066 -7.885 1.00 0.00 N ATOM 545 CA PRO A 40 -4.490 7.398 -7.076 1.00 0.00 C ATOM 546 C PRO A 40 -5.736 7.056 -7.886 1.00 0.00 C ATOM 547 O PRO A 40 -6.538 6.214 -7.482 1.00 0.00 O ATOM 548 CB PRO A 40 -4.820 8.432 -5.997 1.00 0.00 C ATOM 549 CG PRO A 40 -4.475 9.744 -6.612 1.00 0.00 C ATOM 550 CD PRO A 40 -3.302 9.482 -7.516 1.00 0.00 C ATOM 0 HA PRO A 40 -4.139 6.445 -6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.873 8.390 -5.717 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.242 8.256 -5.090 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.318 10.146 -7.174 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.222 10.479 -5.848 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.317 10.130 -8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.355 9.657 -7.006 1.00 0.00 H new ATOM 558 N ASN A 41 -5.892 7.713 -9.030 1.00 0.00 N ATOM 559 CA ASN A 41 -7.041 7.478 -9.896 1.00 0.00 C ATOM 560 C ASN A 41 -6.596 6.979 -11.268 1.00 0.00 C ATOM 561 O ASN A 41 -6.522 7.748 -12.226 1.00 0.00 O ATOM 562 CB ASN A 41 -7.861 8.760 -10.049 1.00 0.00 C ATOM 563 CG ASN A 41 -8.103 9.454 -8.723 1.00 0.00 C ATOM 564 OD1 ASN A 41 -7.854 8.887 -7.659 1.00 0.00 O ATOM 565 ND2 ASN A 41 -8.590 10.688 -8.781 1.00 0.00 N ATOM 0 H ASN A 41 -5.237 8.413 -9.379 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.662 6.710 -9.434 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.342 9.441 -10.723 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.819 8.522 -10.511 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.773 11.205 -7.921 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.781 11.119 -9.686 1.00 0.00 H new ATOM 572 N VAL A 42 -6.300 5.686 -11.354 1.00 0.00 N ATOM 573 CA VAL A 42 -5.863 5.083 -12.608 1.00 0.00 C ATOM 574 C VAL A 42 -7.053 4.752 -13.502 1.00 0.00 C ATOM 575 O VAL A 42 -7.141 5.224 -14.635 1.00 0.00 O ATOM 576 CB VAL A 42 -5.048 3.800 -12.360 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.441 3.294 -13.659 1.00 0.00 C ATOM 578 CG2 VAL A 42 -3.968 4.048 -11.318 1.00 0.00 C ATOM 0 H VAL A 42 -6.355 5.036 -10.570 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.229 5.815 -13.108 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.720 3.032 -11.977 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.869 2.387 -13.464 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.236 3.075 -14.371 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.782 4.057 -14.074 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.402 3.131 -11.155 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.296 4.831 -11.669 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.431 4.360 -10.382 1.00 0.00 H new ATOM 588 N GLY A 43 -7.967 3.938 -12.983 1.00 0.00 N ATOM 589 CA GLY A 43 -9.140 3.558 -13.748 1.00 0.00 C ATOM 590 C GLY A 43 -9.607 2.150 -13.433 1.00 0.00 C ATOM 591 O GLY A 43 -9.093 1.180 -13.988 1.00 0.00 O ATOM 0 H GLY A 43 -7.916 3.535 -12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.948 4.260 -13.541 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.916 3.634 -14.812 1.00 0.00 H new ATOM 595 N GLY A 44 -10.583 2.038 -12.538 1.00 0.00 N ATOM 596 CA GLY A 44 -11.101 0.735 -12.163 1.00 0.00 C ATOM 597 C GLY A 44 -10.960 0.459 -10.680 1.00 0.00 C ATOM 598 O GLY A 44 -11.559 -0.479 -10.156 1.00 0.00 O ATOM 0 H GLY A 44 -11.025 2.827 -12.065 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.153 0.672 -12.443 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.575 -0.037 -12.725 1.00 0.00 H new ATOM 602 N GLY A 45 -10.164 1.279 -10.000 1.00 0.00 N ATOM 603 CA GLY A 45 -9.960 1.101 -8.574 1.00 0.00 C ATOM 604 C GLY A 45 -8.521 0.766 -8.232 1.00 0.00 C ATOM 605 O GLY A 45 -8.258 0.024 -7.285 1.00 0.00 O ATOM 0 H GLY A 45 -9.657 2.063 -10.411 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.252 2.012 -8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.611 0.305 -8.213 1.00 0.00 H new ATOM 609 N TRP A 46 -7.589 1.312 -9.004 1.00 0.00 N ATOM 610 CA TRP A 46 -6.169 1.065 -8.778 1.00 0.00 C ATOM 611 C TRP A 46 -5.407 2.376 -8.625 1.00 0.00 C ATOM 612 O TRP A 46 -5.917 3.446 -8.961 1.00 0.00 O ATOM 613 CB TRP A 46 -5.582 0.251 -9.933 1.00 0.00 C ATOM 614 CG TRP A 46 -6.109 -1.150 -10.000 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.403 -1.530 -10.217 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.355 -2.357 -9.847 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.499 -2.901 -10.208 1.00 0.00 N ATOM 618 CE2 TRP A 46 -6.256 -3.432 -9.984 1.00 0.00 C ATOM 619 CE3 TRP A 46 -4.006 -2.636 -9.610 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -5.850 -4.760 -9.890 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -3.605 -3.955 -9.516 1.00 0.00 C ATOM 622 CH2 TRP A 46 -4.524 -5.003 -9.657 1.00 0.00 C ATOM 0 H TRP A 46 -7.790 1.928 -9.792 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.067 0.497 -7.854 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.799 0.759 -10.873 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.497 0.219 -9.831 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.229 -0.852 -10.373 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.356 -3.436 -10.346 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.290 -1.835 -9.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -6.557 -5.570 -9.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.565 -4.182 -9.331 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.179 -6.023 -9.580 1.00 0.00 H new ATOM 633 N LEU A 47 -4.183 2.288 -8.116 1.00 0.00 N ATOM 634 CA LEU A 47 -3.349 3.468 -7.918 1.00 0.00 C ATOM 635 C LEU A 47 -1.892 3.169 -8.258 1.00 0.00 C ATOM 636 O LEU A 47 -1.438 2.033 -8.134 1.00 0.00 O ATOM 637 CB LEU A 47 -3.457 3.957 -6.473 1.00 0.00 C ATOM 638 CG LEU A 47 -2.897 3.019 -5.403 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.416 3.284 -5.184 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.667 3.176 -4.100 1.00 0.00 C ATOM 0 H LEU A 47 -3.746 1.411 -7.833 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.706 4.251 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.941 4.914 -6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.508 4.143 -6.251 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.014 1.992 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.034 2.607 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.875 3.120 -6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.275 4.315 -4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.255 2.501 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.582 4.204 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.717 2.935 -4.267 1.00 0.00 H new ATOM 652 N GLU A 48 -1.166 4.198 -8.685 1.00 0.00 N ATOM 653 CA GLU A 48 0.239 4.044 -9.040 1.00 0.00 C ATOM 654 C GLU A 48 1.140 4.690 -7.991 1.00 0.00 C ATOM 655 O GLU A 48 1.040 5.886 -7.722 1.00 0.00 O ATOM 656 CB GLU A 48 0.512 4.664 -10.413 1.00 0.00 C ATOM 657 CG GLU A 48 1.820 4.210 -11.037 1.00 0.00 C ATOM 658 CD GLU A 48 2.013 4.746 -12.442 1.00 0.00 C ATOM 659 OE1 GLU A 48 2.166 5.976 -12.593 1.00 0.00 O ATOM 660 OE2 GLU A 48 2.012 3.934 -13.391 1.00 0.00 O ATOM 0 H GLU A 48 -1.528 5.146 -8.793 1.00 0.00 H new ATOM 0 HA GLU A 48 0.462 2.978 -9.079 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.308 4.412 -11.085 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.523 5.750 -10.316 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.650 4.537 -10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.848 3.121 -11.061 1.00 0.00 H new ATOM 667 N GLY A 49 2.020 3.887 -7.401 1.00 0.00 N ATOM 668 CA GLY A 49 2.925 4.397 -6.387 1.00 0.00 C ATOM 669 C GLY A 49 4.379 4.125 -6.719 1.00 0.00 C ATOM 670 O GLY A 49 4.692 3.186 -7.451 1.00 0.00 O ATOM 0 H GLY A 49 2.123 2.893 -7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.775 5.471 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.683 3.942 -5.426 1.00 0.00 H new ATOM 674 N LYS A 50 5.271 4.949 -6.180 1.00 0.00 N ATOM 675 CA LYS A 50 6.701 4.794 -6.422 1.00 0.00 C ATOM 676 C LYS A 50 7.424 4.361 -5.151 1.00 0.00 C ATOM 677 O LYS A 50 7.024 4.720 -4.045 1.00 0.00 O ATOM 678 CB LYS A 50 7.296 6.106 -6.939 1.00 0.00 C ATOM 679 CG LYS A 50 8.785 6.025 -7.230 1.00 0.00 C ATOM 680 CD LYS A 50 9.251 7.196 -8.079 1.00 0.00 C ATOM 681 CE LYS A 50 9.673 8.376 -7.217 1.00 0.00 C ATOM 682 NZ LYS A 50 10.438 9.388 -7.998 1.00 0.00 N ATOM 0 H LYS A 50 5.029 5.732 -5.572 1.00 0.00 H new ATOM 0 HA LYS A 50 6.835 4.019 -7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.772 6.400 -7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.120 6.890 -6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.340 6.011 -6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.006 5.090 -7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.087 6.883 -8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.448 7.503 -8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.789 8.844 -6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.284 8.020 -6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.707 10.176 -7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.295 8.948 -8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.846 9.747 -8.774 1.00 0.00 H new ATOM 696 N ASN A 51 8.493 3.589 -5.318 1.00 0.00 N ATOM 697 CA ASN A 51 9.273 3.108 -4.183 1.00 0.00 C ATOM 698 C ASN A 51 10.596 3.860 -4.075 1.00 0.00 C ATOM 699 O ASN A 51 10.928 4.679 -4.931 1.00 0.00 O ATOM 700 CB ASN A 51 9.536 1.607 -4.318 1.00 0.00 C ATOM 701 CG ASN A 51 9.844 1.200 -5.746 1.00 0.00 C ATOM 702 OD1 ASN A 51 10.173 2.038 -6.585 1.00 0.00 O ATOM 703 ND2 ASN A 51 9.737 -0.093 -6.029 1.00 0.00 N ATOM 0 H ASN A 51 8.839 3.283 -6.228 1.00 0.00 H new ATOM 0 HA ASN A 51 8.697 3.289 -3.275 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.371 1.328 -3.675 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.665 1.055 -3.966 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.931 -0.426 -6.973 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.461 -0.753 -5.302 1.00 0.00 H new ATOM 710 N ASN A 52 11.348 3.575 -3.016 1.00 0.00 N ATOM 711 CA ASN A 52 12.635 4.224 -2.796 1.00 0.00 C ATOM 712 C ASN A 52 13.551 4.039 -4.001 1.00 0.00 C ATOM 713 O ASN A 52 14.339 4.924 -4.338 1.00 0.00 O ATOM 714 CB ASN A 52 13.305 3.661 -1.541 1.00 0.00 C ATOM 715 CG ASN A 52 12.616 4.110 -0.266 1.00 0.00 C ATOM 716 OD1 ASN A 52 11.505 4.638 -0.302 1.00 0.00 O ATOM 717 ND2 ASN A 52 13.275 3.901 0.867 1.00 0.00 N ATOM 0 H ASN A 52 11.088 2.899 -2.298 1.00 0.00 H new ATOM 0 HA ASN A 52 12.457 5.290 -2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.302 2.572 -1.588 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.348 3.976 -1.517 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.862 4.182 1.756 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.194 3.460 0.848 1.00 0.00 H new ATOM 724 N LYS A 53 13.442 2.884 -4.649 1.00 0.00 N ATOM 725 CA LYS A 53 14.258 2.582 -5.819 1.00 0.00 C ATOM 726 C LYS A 53 13.929 3.527 -6.970 1.00 0.00 C ATOM 727 O LYS A 53 14.722 3.692 -7.896 1.00 0.00 O ATOM 728 CB LYS A 53 14.041 1.132 -6.257 1.00 0.00 C ATOM 729 CG LYS A 53 14.896 0.133 -5.497 1.00 0.00 C ATOM 730 CD LYS A 53 14.240 -0.281 -4.190 1.00 0.00 C ATOM 731 CE LYS A 53 13.283 -1.446 -4.390 1.00 0.00 C ATOM 732 NZ LYS A 53 11.986 -1.003 -4.975 1.00 0.00 N ATOM 0 H LYS A 53 12.796 2.141 -4.383 1.00 0.00 H new ATOM 0 HA LYS A 53 15.304 2.720 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.990 0.874 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.257 1.047 -7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.064 -0.748 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 53 15.873 0.570 -5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.008 -0.560 -3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.700 0.567 -3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.743 -2.186 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.102 -1.936 -3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.266 -1.737 -4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.684 -0.118 -4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.102 -0.844 -5.996 1.00 0.00 H new ATOM 746 N GLY A 54 12.755 4.146 -6.905 1.00 0.00 N ATOM 747 CA GLY A 54 12.343 5.068 -7.947 1.00 0.00 C ATOM 748 C GLY A 54 11.439 4.415 -8.975 1.00 0.00 C ATOM 749 O GLY A 54 11.003 5.062 -9.926 1.00 0.00 O ATOM 0 H GLY A 54 12.081 4.026 -6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.823 5.913 -7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.227 5.466 -8.446 1.00 0.00 H new ATOM 753 N GLU A 55 11.159 3.130 -8.783 1.00 0.00 N ATOM 754 CA GLU A 55 10.304 2.389 -9.702 1.00 0.00 C ATOM 755 C GLU A 55 8.830 2.641 -9.397 1.00 0.00 C ATOM 756 O GLU A 55 8.449 2.830 -8.242 1.00 0.00 O ATOM 757 CB GLU A 55 10.605 0.891 -9.620 1.00 0.00 C ATOM 758 CG GLU A 55 11.998 0.523 -10.102 1.00 0.00 C ATOM 759 CD GLU A 55 12.117 0.547 -11.614 1.00 0.00 C ATOM 760 OE1 GLU A 55 11.672 -0.424 -12.260 1.00 0.00 O ATOM 761 OE2 GLU A 55 12.656 1.538 -12.150 1.00 0.00 O ATOM 0 H GLU A 55 11.512 2.581 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 55 10.513 2.738 -10.713 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.488 0.561 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.869 0.348 -10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.722 1.216 -9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.254 -0.472 -9.737 1.00 0.00 H new ATOM 768 N GLN A 56 8.007 2.641 -10.440 1.00 0.00 N ATOM 769 CA GLN A 56 6.576 2.871 -10.284 1.00 0.00 C ATOM 770 C GLN A 56 5.775 1.671 -10.778 1.00 0.00 C ATOM 771 O GLN A 56 6.065 1.110 -11.834 1.00 0.00 O ATOM 772 CB GLN A 56 6.153 4.129 -11.044 1.00 0.00 C ATOM 773 CG GLN A 56 6.441 5.419 -10.294 1.00 0.00 C ATOM 774 CD GLN A 56 6.660 6.598 -11.222 1.00 0.00 C ATOM 775 OE1 GLN A 56 6.919 6.425 -12.413 1.00 0.00 O ATOM 776 NE2 GLN A 56 6.555 7.806 -10.680 1.00 0.00 N ATOM 0 H GLN A 56 8.307 2.484 -11.402 1.00 0.00 H new ATOM 0 HA GLN A 56 6.370 3.011 -9.223 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.669 4.154 -12.004 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.085 4.073 -11.257 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.610 5.639 -9.624 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.325 5.283 -9.671 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.339 7.903 -9.688 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.691 8.637 -11.256 1.00 0.00 H new ATOM 785 N GLY A 57 4.765 1.281 -10.005 1.00 0.00 N ATOM 786 CA GLY A 57 3.938 0.149 -10.381 1.00 0.00 C ATOM 787 C GLY A 57 2.500 0.306 -9.928 1.00 0.00 C ATOM 788 O GLY A 57 2.197 1.142 -9.076 1.00 0.00 O ATOM 0 H GLY A 57 4.505 1.729 -9.126 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.963 0.028 -11.464 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.355 -0.761 -9.949 1.00 0.00 H new ATOM 792 N LEU A 58 1.611 -0.499 -10.498 1.00 0.00 N ATOM 793 CA LEU A 58 0.195 -0.445 -10.149 1.00 0.00 C ATOM 794 C LEU A 58 -0.087 -1.262 -8.892 1.00 0.00 C ATOM 795 O LEU A 58 0.468 -2.345 -8.705 1.00 0.00 O ATOM 796 CB LEU A 58 -0.657 -0.963 -11.310 1.00 0.00 C ATOM 797 CG LEU A 58 -0.579 -0.161 -12.609 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.162 -0.959 -13.765 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.302 1.169 -12.459 1.00 0.00 C ATOM 0 H LEU A 58 1.845 -1.197 -11.204 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.066 0.595 -9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.360 -1.990 -11.522 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.697 -0.992 -10.986 1.00 0.00 H new ATOM 0 HG LEU A 58 0.470 0.041 -12.826 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.098 -0.372 -14.681 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.601 -1.885 -13.887 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.206 -1.192 -13.556 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.236 1.726 -13.393 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.349 0.989 -12.217 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.839 1.746 -11.659 1.00 0.00 H new ATOM 811 N VAL A 59 -0.956 -0.736 -8.034 1.00 0.00 N ATOM 812 CA VAL A 59 -1.315 -1.418 -6.796 1.00 0.00 C ATOM 813 C VAL A 59 -2.810 -1.303 -6.520 1.00 0.00 C ATOM 814 O VAL A 59 -3.423 -0.254 -6.713 1.00 0.00 O ATOM 815 CB VAL A 59 -0.536 -0.848 -5.596 1.00 0.00 C ATOM 816 CG1 VAL A 59 -0.987 -1.511 -4.303 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.961 -1.024 -5.800 1.00 0.00 C ATOM 0 H VAL A 59 -1.424 0.160 -8.173 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.052 -2.468 -6.924 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.747 0.219 -5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.426 -1.096 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.051 -1.329 -4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.808 -2.585 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.496 -0.616 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.192 -2.084 -5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.269 -0.498 -6.704 1.00 0.00 H new ATOM 827 N PRO A 60 -3.412 -2.408 -6.054 1.00 0.00 N ATOM 828 CA PRO A 60 -4.843 -2.457 -5.740 1.00 0.00 C ATOM 829 C PRO A 60 -5.194 -1.628 -4.508 1.00 0.00 C ATOM 830 O PRO A 60 -4.698 -1.887 -3.411 1.00 0.00 O ATOM 831 CB PRO A 60 -5.097 -3.943 -5.475 1.00 0.00 C ATOM 832 CG PRO A 60 -3.777 -4.482 -5.045 1.00 0.00 C ATOM 833 CD PRO A 60 -2.742 -3.694 -5.800 1.00 0.00 C ATOM 0 HA PRO A 60 -5.452 -2.044 -6.544 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.853 -4.084 -4.702 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.458 -4.449 -6.370 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.643 -4.372 -3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.698 -5.546 -5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.831 -3.564 -5.216 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.458 -4.189 -6.728 1.00 0.00 H new ATOM 841 N THR A 61 -6.053 -0.631 -4.697 1.00 0.00 N ATOM 842 CA THR A 61 -6.470 0.236 -3.602 1.00 0.00 C ATOM 843 C THR A 61 -7.112 -0.569 -2.478 1.00 0.00 C ATOM 844 O THR A 61 -7.185 -0.111 -1.337 1.00 0.00 O ATOM 845 CB THR A 61 -7.464 1.309 -4.083 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.595 0.687 -4.703 1.00 0.00 O ATOM 847 CG2 THR A 61 -6.800 2.261 -5.066 1.00 0.00 C ATOM 0 H THR A 61 -6.473 -0.404 -5.598 1.00 0.00 H new ATOM 0 HA THR A 61 -5.572 0.726 -3.227 1.00 0.00 H new ATOM 0 HB THR A 61 -7.795 1.881 -3.216 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.513 0.756 -5.677 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.522 3.010 -5.392 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.958 2.755 -4.581 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.443 1.701 -5.930 1.00 0.00 H new ATOM 855 N ASP A 62 -7.576 -1.770 -2.807 1.00 0.00 N ATOM 856 CA ASP A 62 -8.211 -2.639 -1.823 1.00 0.00 C ATOM 857 C ASP A 62 -7.186 -3.173 -0.827 1.00 0.00 C ATOM 858 O ASP A 62 -7.536 -3.580 0.281 1.00 0.00 O ATOM 859 CB ASP A 62 -8.916 -3.803 -2.521 1.00 0.00 C ATOM 860 CG ASP A 62 -9.574 -3.386 -3.822 1.00 0.00 C ATOM 861 OD1 ASP A 62 -10.290 -2.363 -3.823 1.00 0.00 O ATOM 862 OD2 ASP A 62 -9.374 -4.083 -4.838 1.00 0.00 O ATOM 0 H ASP A 62 -7.524 -2.163 -3.747 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.949 -2.051 -1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.194 -4.595 -2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.670 -4.220 -1.853 1.00 0.00 H new ATOM 867 N TYR A 63 -5.920 -3.169 -1.230 1.00 0.00 N ATOM 868 CA TYR A 63 -4.845 -3.656 -0.374 1.00 0.00 C ATOM 869 C TYR A 63 -4.289 -2.532 0.495 1.00 0.00 C ATOM 870 O TYR A 63 -3.872 -2.759 1.631 1.00 0.00 O ATOM 871 CB TYR A 63 -3.724 -4.261 -1.222 1.00 0.00 C ATOM 872 CG TYR A 63 -4.032 -5.652 -1.730 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.077 -5.872 -2.620 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.280 -6.745 -1.319 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.363 -7.141 -3.086 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.558 -8.017 -1.781 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.600 -8.210 -2.664 1.00 0.00 C ATOM 878 OH TYR A 63 -4.881 -9.475 -3.125 1.00 0.00 O ATOM 0 H TYR A 63 -5.613 -2.834 -2.143 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.255 -4.427 0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.530 -3.607 -2.072 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.809 -4.294 -0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.675 -5.037 -2.953 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.464 -6.598 -0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.179 -7.295 -3.776 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.963 -8.856 -1.452 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.250 -10.114 -2.732 1.00 0.00 H new ATOM 888 N VAL A 64 -4.287 -1.319 -0.047 1.00 0.00 N ATOM 889 CA VAL A 64 -3.786 -0.158 0.678 1.00 0.00 C ATOM 890 C VAL A 64 -4.845 0.934 0.768 1.00 0.00 C ATOM 891 O VAL A 64 -5.518 1.242 -0.216 1.00 0.00 O ATOM 892 CB VAL A 64 -2.524 0.420 0.009 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.572 -0.698 -0.390 1.00 0.00 C ATOM 894 CG2 VAL A 64 -2.901 1.266 -1.197 1.00 0.00 C ATOM 0 H VAL A 64 -4.627 -1.115 -0.987 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.533 -0.498 1.682 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.013 1.061 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.686 -0.271 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.277 -1.258 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.070 -1.366 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.998 1.666 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.435 0.650 -1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.541 2.089 -0.879 1.00 0.00 H new ATOM 904 N GLU A 65 -4.988 1.517 1.954 1.00 0.00 N ATOM 905 CA GLU A 65 -5.967 2.576 2.172 1.00 0.00 C ATOM 906 C GLU A 65 -5.279 3.928 2.336 1.00 0.00 C ATOM 907 O GLU A 65 -4.665 4.203 3.367 1.00 0.00 O ATOM 908 CB GLU A 65 -6.815 2.270 3.408 1.00 0.00 C ATOM 909 CG GLU A 65 -7.780 3.385 3.775 1.00 0.00 C ATOM 910 CD GLU A 65 -9.031 3.380 2.918 1.00 0.00 C ATOM 911 OE1 GLU A 65 -9.886 2.494 3.120 1.00 0.00 O ATOM 912 OE2 GLU A 65 -9.154 4.265 2.044 1.00 0.00 O ATOM 0 H GLU A 65 -4.439 1.274 2.778 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.616 2.622 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.380 1.355 3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.154 2.080 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.062 3.286 4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.276 4.346 3.670 1.00 0.00 H new ATOM 919 N ILE A 66 -5.385 4.767 1.311 1.00 0.00 N ATOM 920 CA ILE A 66 -4.774 6.090 1.342 1.00 0.00 C ATOM 921 C ILE A 66 -5.096 6.814 2.644 1.00 0.00 C ATOM 922 O ILE A 66 -6.220 6.748 3.143 1.00 0.00 O ATOM 923 CB ILE A 66 -5.245 6.955 0.157 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.788 6.338 -1.166 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.717 8.375 0.296 1.00 0.00 C ATOM 926 CD1 ILE A 66 -5.350 7.036 -2.385 1.00 0.00 C ATOM 0 H ILE A 66 -5.888 4.554 0.449 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.697 5.942 1.268 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.334 6.991 0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.699 6.364 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.083 5.289 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.058 8.974 -0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.087 8.812 1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.627 8.358 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.984 6.545 -3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.439 6.988 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.033 8.079 -2.386 1.00 0.00 H new ATOM 938 N LEU A 67 -4.102 7.507 3.190 1.00 0.00 N ATOM 939 CA LEU A 67 -4.279 8.246 4.435 1.00 0.00 C ATOM 940 C LEU A 67 -4.471 9.735 4.162 1.00 0.00 C ATOM 941 O LEU A 67 -3.874 10.306 3.249 1.00 0.00 O ATOM 942 CB LEU A 67 -3.072 8.036 5.352 1.00 0.00 C ATOM 943 CG LEU A 67 -2.812 6.598 5.800 1.00 0.00 C ATOM 944 CD1 LEU A 67 -1.473 6.495 6.514 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.937 6.107 6.699 1.00 0.00 C ATOM 0 H LEU A 67 -3.166 7.572 2.790 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.174 7.867 4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.183 8.402 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.204 8.654 6.240 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.778 5.963 4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.305 5.464 6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.676 6.804 5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.477 7.143 7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.735 5.082 7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.003 6.745 7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.880 6.142 6.154 1.00 0.00 H new ATOM 957 N PRO A 68 -5.323 10.380 4.973 1.00 0.00 N ATOM 958 CA PRO A 68 -5.612 11.811 4.840 1.00 0.00 C ATOM 959 C PRO A 68 -4.423 12.681 5.234 1.00 0.00 C ATOM 960 O PRO A 68 -3.445 12.193 5.797 1.00 0.00 O ATOM 961 CB PRO A 68 -6.778 12.029 5.807 1.00 0.00 C ATOM 962 CG PRO A 68 -6.640 10.943 6.818 1.00 0.00 C ATOM 963 CD PRO A 68 -6.069 9.763 6.082 1.00 0.00 C ATOM 0 HA PRO A 68 -5.838 12.087 3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.727 13.013 6.273 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.736 11.970 5.291 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.984 11.249 7.633 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.605 10.697 7.261 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.418 9.167 6.722 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.853 9.099 5.718 1.00 0.00 H new