USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 625 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 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 30:sc= -2.83! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.0138 X(o=0.014,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00332 USER MOD Single : A 22 SER OG : rot 180:sc= -0.053 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -3.64! C(o=-3.6!,f=-3.7!) USER MOD Single : A 34 SER OG : rot 80:sc= 1.11 USER MOD Single : A 37 LYS NZ :NH3+ -109:sc= -0.272 (180deg=-0.589) USER MOD Single : A 39 SER OG : rot -90:sc= 0.521 USER MOD Single : A 49 THR OG1 : rot 110:sc= -0.685 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -5.5! K(o=-5.5!,f=-0.59) USER MOD Single : A 70 ASN : amide:sc= -0.211 K(o=-0.21,f=-3.2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= -0.01 (180deg=-0.142) USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.177) USER MOD Single : A 88 ASN : amide:sc= 0.222 K(o=0.22,f=-9.8!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -11.022 -0.626 -19.562 1.00 0.00 N ATOM 44 CA VAL A 4 -10.879 -0.361 -18.103 1.00 0.00 C ATOM 45 C VAL A 4 -10.179 0.984 -17.894 1.00 0.00 C ATOM 46 O VAL A 4 -9.625 1.556 -18.812 1.00 0.00 O ATOM 47 CB VAL A 4 -10.048 -1.473 -17.461 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.965 -2.631 -17.062 1.00 0.00 C ATOM 49 CG2 VAL A 4 -9.007 -1.973 -18.465 1.00 0.00 C ATOM 0 HA VAL A 4 -11.866 -0.332 -17.641 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.545 -1.085 -16.575 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.372 -3.423 -16.605 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.709 -2.277 -16.349 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.467 -3.019 -17.948 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.414 -2.766 -18.009 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.512 -2.361 -19.350 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.353 -1.149 -18.752 1.00 0.00 H new ATOM 59 N THR A 5 -10.200 1.494 -16.693 1.00 0.00 N ATOM 60 CA THR A 5 -9.535 2.800 -16.427 1.00 0.00 C ATOM 61 C THR A 5 -8.216 2.561 -15.691 1.00 0.00 C ATOM 62 O THR A 5 -8.011 1.528 -15.085 1.00 0.00 O ATOM 63 CB THR A 5 -10.451 3.673 -15.564 1.00 0.00 C ATOM 64 OG1 THR A 5 -11.792 3.227 -15.702 1.00 0.00 O ATOM 65 CG2 THR A 5 -10.345 5.130 -16.016 1.00 0.00 C ATOM 0 H THR A 5 -10.649 1.063 -15.885 1.00 0.00 H new ATOM 0 HA THR A 5 -9.336 3.305 -17.372 1.00 0.00 H new ATOM 0 HB THR A 5 -10.148 3.598 -14.520 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.380 3.783 -15.149 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.997 5.750 -15.401 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.315 5.470 -15.909 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.647 5.210 -17.060 1.00 0.00 H new ATOM 73 N LYS A 6 -7.319 3.508 -15.736 1.00 0.00 N ATOM 74 CA LYS A 6 -6.015 3.333 -15.037 1.00 0.00 C ATOM 75 C LYS A 6 -5.825 4.459 -14.019 1.00 0.00 C ATOM 76 O LYS A 6 -6.025 5.619 -14.318 1.00 0.00 O ATOM 77 CB LYS A 6 -4.878 3.377 -16.062 1.00 0.00 C ATOM 78 CG LYS A 6 -5.100 2.292 -17.118 1.00 0.00 C ATOM 79 CD LYS A 6 -3.862 2.189 -18.012 1.00 0.00 C ATOM 80 CE LYS A 6 -4.139 1.214 -19.157 1.00 0.00 C ATOM 81 NZ LYS A 6 -4.701 1.959 -20.319 1.00 0.00 N ATOM 0 H LYS A 6 -7.433 4.395 -16.227 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.006 2.372 -14.522 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.839 4.358 -16.536 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.920 3.225 -15.565 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.294 1.334 -16.635 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.977 2.529 -17.720 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.605 3.171 -18.410 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.007 1.848 -17.429 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.219 0.706 -19.447 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.839 0.444 -18.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.890 1.296 -21.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.588 2.424 -20.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.018 2.678 -20.634 1.00 0.00 H new ATOM 95 N TYR A 7 -5.443 4.125 -12.816 1.00 0.00 N ATOM 96 CA TYR A 7 -5.241 5.178 -11.781 1.00 0.00 C ATOM 97 C TYR A 7 -3.763 5.567 -11.730 1.00 0.00 C ATOM 98 O TYR A 7 -2.908 4.758 -11.427 1.00 0.00 O ATOM 99 CB TYR A 7 -5.675 4.639 -10.416 1.00 0.00 C ATOM 100 CG TYR A 7 -7.072 5.118 -10.106 1.00 0.00 C ATOM 101 CD1 TYR A 7 -8.073 5.038 -11.083 1.00 0.00 C ATOM 102 CD2 TYR A 7 -7.369 5.641 -8.842 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.369 5.481 -10.796 1.00 0.00 C ATOM 104 CE2 TYR A 7 -8.666 6.084 -8.555 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.666 6.004 -9.532 1.00 0.00 C ATOM 106 OH TYR A 7 -10.944 6.441 -9.248 1.00 0.00 O ATOM 0 H TYR A 7 -5.262 3.170 -12.506 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.838 6.055 -12.033 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.645 3.549 -10.417 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.984 4.976 -9.644 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.844 4.634 -12.058 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.598 5.703 -8.088 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.140 5.419 -11.550 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.895 6.488 -7.580 1.00 0.00 H new ATOM 0 HH TYR A 7 -11.591 5.924 -9.772 1.00 0.00 H new ATOM 116 N PHE A 8 -3.453 6.800 -12.027 1.00 0.00 N ATOM 117 CA PHE A 8 -2.030 7.238 -11.996 1.00 0.00 C ATOM 118 C PHE A 8 -1.628 7.568 -10.558 1.00 0.00 C ATOM 119 O PHE A 8 -2.374 8.181 -9.819 1.00 0.00 O ATOM 120 CB PHE A 8 -1.860 8.482 -12.871 1.00 0.00 C ATOM 121 CG PHE A 8 -1.804 8.073 -14.323 1.00 0.00 C ATOM 122 CD1 PHE A 8 -2.972 7.674 -14.983 1.00 0.00 C ATOM 123 CD2 PHE A 8 -0.583 8.091 -15.008 1.00 0.00 C ATOM 124 CE1 PHE A 8 -2.921 7.295 -16.330 1.00 0.00 C ATOM 125 CE2 PHE A 8 -0.532 7.711 -16.355 1.00 0.00 C ATOM 126 CZ PHE A 8 -1.700 7.313 -17.016 1.00 0.00 C ATOM 0 H PHE A 8 -4.124 7.522 -12.290 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.396 6.437 -12.375 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.689 9.170 -12.708 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.948 9.011 -12.596 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.913 7.658 -14.453 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.318 8.398 -14.498 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.823 6.989 -16.840 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.409 7.725 -16.884 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.660 7.020 -18.055 1.00 0.00 H new ATOM 136 N TYR A 9 -0.454 7.168 -10.152 1.00 0.00 N ATOM 137 CA TYR A 9 -0.005 7.459 -8.762 1.00 0.00 C ATOM 138 C TYR A 9 1.409 8.042 -8.794 1.00 0.00 C ATOM 139 O TYR A 9 2.388 7.323 -8.738 1.00 0.00 O ATOM 140 CB TYR A 9 -0.006 6.166 -7.944 1.00 0.00 C ATOM 141 CG TYR A 9 0.294 6.484 -6.499 1.00 0.00 C ATOM 142 CD1 TYR A 9 -0.686 7.081 -5.696 1.00 0.00 C ATOM 143 CD2 TYR A 9 1.550 6.183 -5.962 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.409 7.375 -4.356 1.00 0.00 C ATOM 145 CE2 TYR A 9 1.829 6.478 -4.621 1.00 0.00 C ATOM 146 CZ TYR A 9 0.849 7.074 -3.818 1.00 0.00 C ATOM 147 OH TYR A 9 1.123 7.365 -2.498 1.00 0.00 O ATOM 0 H TYR A 9 0.214 6.652 -10.724 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.684 8.178 -8.304 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -0.974 5.672 -8.025 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.739 5.474 -8.337 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.655 7.314 -6.111 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.305 5.723 -6.582 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.165 7.834 -3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.799 6.246 -4.207 1.00 0.00 H new ATOM 0 HH TYR A 9 2.040 7.091 -2.286 1.00 0.00 H new ATOM 157 N LYS A 10 1.525 9.338 -8.886 1.00 0.00 N ATOM 158 CA LYS A 10 2.877 9.964 -8.923 1.00 0.00 C ATOM 159 C LYS A 10 3.666 9.550 -7.680 1.00 0.00 C ATOM 160 O LYS A 10 3.533 10.137 -6.624 1.00 0.00 O ATOM 161 CB LYS A 10 2.731 11.487 -8.952 1.00 0.00 C ATOM 162 CG LYS A 10 4.115 12.134 -8.858 1.00 0.00 C ATOM 163 CD LYS A 10 4.003 13.628 -9.171 1.00 0.00 C ATOM 164 CE LYS A 10 5.034 14.401 -8.346 1.00 0.00 C ATOM 165 NZ LYS A 10 4.749 15.861 -8.439 1.00 0.00 N ATOM 0 H LYS A 10 0.743 9.990 -8.937 1.00 0.00 H new ATOM 0 HA LYS A 10 3.408 9.632 -9.815 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.234 11.798 -9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.106 11.819 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.528 11.991 -7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.800 11.655 -9.558 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.169 13.801 -10.234 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.998 13.984 -8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.999 14.078 -7.305 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.039 14.192 -8.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.449 16.388 -7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.803 16.163 -9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.796 16.053 -8.071 1.00 0.00 H new ATOM 179 N GLY A 11 4.486 8.542 -7.795 1.00 0.00 N ATOM 180 CA GLY A 11 5.284 8.092 -6.619 1.00 0.00 C ATOM 181 C GLY A 11 6.372 9.122 -6.313 1.00 0.00 C ATOM 182 O GLY A 11 6.312 10.251 -6.757 1.00 0.00 O ATOM 0 H GLY A 11 4.638 8.010 -8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.634 7.966 -5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.735 7.121 -6.823 1.00 0.00 H new ATOM 186 N GLU A 12 7.366 8.743 -5.558 1.00 0.00 N ATOM 187 CA GLU A 12 8.456 9.703 -5.226 1.00 0.00 C ATOM 188 C GLU A 12 8.952 10.375 -6.508 1.00 0.00 C ATOM 189 O GLU A 12 8.361 11.319 -6.994 1.00 0.00 O ATOM 190 CB GLU A 12 9.613 8.951 -4.564 1.00 0.00 C ATOM 191 CG GLU A 12 10.859 9.839 -4.552 1.00 0.00 C ATOM 192 CD GLU A 12 11.546 9.738 -3.189 1.00 0.00 C ATOM 193 OE1 GLU A 12 11.098 10.405 -2.272 1.00 0.00 O ATOM 194 OE2 GLU A 12 12.509 8.995 -3.087 1.00 0.00 O ATOM 0 H GLU A 12 7.471 7.811 -5.157 1.00 0.00 H new ATOM 0 HA GLU A 12 8.076 10.462 -4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.343 8.671 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.817 8.027 -5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.545 9.531 -5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.583 10.874 -4.756 1.00 0.00 H new ATOM 201 N ASN A 13 10.034 9.897 -7.058 1.00 0.00 N ATOM 202 CA ASN A 13 10.566 10.510 -8.309 1.00 0.00 C ATOM 203 C ASN A 13 10.153 9.658 -9.510 1.00 0.00 C ATOM 204 O ASN A 13 10.464 9.970 -10.643 1.00 0.00 O ATOM 205 CB ASN A 13 12.093 10.579 -8.234 1.00 0.00 C ATOM 206 CG ASN A 13 12.565 11.958 -8.698 1.00 0.00 C ATOM 207 OD1 ASN A 13 12.984 12.771 -7.898 1.00 0.00 O ATOM 208 ND2 ASN A 13 12.516 12.257 -9.967 1.00 0.00 N ATOM 0 H ASN A 13 10.572 9.110 -6.696 1.00 0.00 H new ATOM 0 HA ASN A 13 10.162 11.516 -8.421 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.426 10.393 -7.213 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.534 9.803 -8.859 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.829 13.173 -10.288 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.164 11.575 -10.639 1.00 0.00 H new ATOM 215 N THR A 14 9.452 8.582 -9.273 1.00 0.00 N ATOM 216 CA THR A 14 9.020 7.711 -10.402 1.00 0.00 C ATOM 217 C THR A 14 7.496 7.771 -10.537 1.00 0.00 C ATOM 218 O THR A 14 6.816 8.380 -9.735 1.00 0.00 O ATOM 219 CB THR A 14 9.450 6.268 -10.128 1.00 0.00 C ATOM 220 OG1 THR A 14 9.394 5.522 -11.337 1.00 0.00 O ATOM 221 CG2 THR A 14 8.515 5.641 -9.094 1.00 0.00 C ATOM 0 H THR A 14 9.160 8.269 -8.347 1.00 0.00 H new ATOM 0 HA THR A 14 9.482 8.058 -11.326 1.00 0.00 H new ATOM 0 HB THR A 14 10.469 6.259 -9.742 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.671 4.598 -11.164 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.823 4.614 -8.901 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.560 6.214 -8.168 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.494 5.648 -9.475 1.00 0.00 H new ATOM 229 N ASP A 15 6.955 7.145 -11.545 1.00 0.00 N ATOM 230 CA ASP A 15 5.476 7.168 -11.730 1.00 0.00 C ATOM 231 C ASP A 15 4.926 5.744 -11.621 1.00 0.00 C ATOM 232 O ASP A 15 5.321 4.858 -12.352 1.00 0.00 O ATOM 233 CB ASP A 15 5.143 7.739 -13.110 1.00 0.00 C ATOM 234 CG ASP A 15 3.630 7.929 -13.232 1.00 0.00 C ATOM 235 OD1 ASP A 15 2.977 7.999 -12.205 1.00 0.00 O ATOM 236 OD2 ASP A 15 3.150 8.001 -14.352 1.00 0.00 O ATOM 0 H ASP A 15 7.472 6.618 -12.249 1.00 0.00 H new ATOM 0 HA ASP A 15 5.023 7.792 -10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.653 8.692 -13.254 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.500 7.066 -13.890 1.00 0.00 H new ATOM 241 N LEU A 16 4.015 5.518 -10.713 1.00 0.00 N ATOM 242 CA LEU A 16 3.440 4.153 -10.560 1.00 0.00 C ATOM 243 C LEU A 16 2.018 4.133 -11.125 1.00 0.00 C ATOM 244 O LEU A 16 1.212 4.995 -10.835 1.00 0.00 O ATOM 245 CB LEU A 16 3.404 3.779 -9.076 1.00 0.00 C ATOM 246 CG LEU A 16 4.813 3.415 -8.607 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.826 3.281 -7.084 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.233 2.086 -9.238 1.00 0.00 C ATOM 0 H LEU A 16 3.645 6.220 -10.072 1.00 0.00 H new ATOM 0 HA LEU A 16 4.057 3.435 -11.101 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.018 4.613 -8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.728 2.938 -8.918 1.00 0.00 H new ATOM 0 HG LEU A 16 5.509 4.198 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.831 3.021 -6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.527 4.227 -6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.130 2.499 -6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.237 1.826 -8.904 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.536 1.304 -8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.225 2.180 -10.324 1.00 0.00 H new ATOM 260 N ILE A 17 1.703 3.156 -11.931 1.00 0.00 N ATOM 261 CA ILE A 17 0.334 3.083 -12.513 1.00 0.00 C ATOM 262 C ILE A 17 -0.347 1.791 -12.061 1.00 0.00 C ATOM 263 O ILE A 17 0.289 0.769 -11.894 1.00 0.00 O ATOM 264 CB ILE A 17 0.427 3.104 -14.040 1.00 0.00 C ATOM 265 CG1 ILE A 17 0.717 4.530 -14.514 1.00 0.00 C ATOM 266 CG2 ILE A 17 -0.897 2.628 -14.639 1.00 0.00 C ATOM 267 CD1 ILE A 17 0.954 4.527 -16.025 1.00 0.00 C ATOM 0 H ILE A 17 2.335 2.406 -12.211 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.250 3.938 -12.172 1.00 0.00 H new ATOM 0 HB ILE A 17 1.231 2.442 -14.363 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.120 5.184 -14.268 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.592 4.925 -13.999 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.830 2.643 -15.727 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.104 1.612 -14.302 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.701 3.289 -14.316 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.161 5.543 -16.363 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.805 3.887 -16.259 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.066 4.150 -16.532 1.00 0.00 H new ATOM 279 N VAL A 18 -1.636 1.825 -11.863 1.00 0.00 N ATOM 280 CA VAL A 18 -2.357 0.599 -11.423 1.00 0.00 C ATOM 281 C VAL A 18 -3.587 0.387 -12.307 1.00 0.00 C ATOM 282 O VAL A 18 -3.959 1.242 -13.085 1.00 0.00 O ATOM 283 CB VAL A 18 -2.797 0.760 -9.967 1.00 0.00 C ATOM 284 CG1 VAL A 18 -1.935 -0.131 -9.071 1.00 0.00 C ATOM 285 CG2 VAL A 18 -2.630 2.221 -9.544 1.00 0.00 C ATOM 0 H VAL A 18 -2.222 2.651 -11.987 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.695 -0.262 -11.508 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.843 0.469 -9.869 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.249 -0.016 -8.034 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.052 -1.172 -9.372 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.889 0.159 -9.168 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.943 2.337 -8.506 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.584 2.511 -9.642 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.244 2.857 -10.182 1.00 0.00 H new ATOM 295 N PHE A 19 -4.222 -0.748 -12.196 1.00 0.00 N ATOM 296 CA PHE A 19 -5.427 -1.013 -13.031 1.00 0.00 C ATOM 297 C PHE A 19 -6.685 -0.851 -12.176 1.00 0.00 C ATOM 298 O PHE A 19 -6.651 -0.992 -10.970 1.00 0.00 O ATOM 299 CB PHE A 19 -5.363 -2.439 -13.580 1.00 0.00 C ATOM 300 CG PHE A 19 -4.723 -2.424 -14.947 1.00 0.00 C ATOM 301 CD1 PHE A 19 -3.698 -1.513 -15.230 1.00 0.00 C ATOM 302 CD2 PHE A 19 -5.153 -3.321 -15.932 1.00 0.00 C ATOM 303 CE1 PHE A 19 -3.104 -1.498 -16.498 1.00 0.00 C ATOM 304 CE2 PHE A 19 -4.558 -3.307 -17.199 1.00 0.00 C ATOM 305 CZ PHE A 19 -3.534 -2.396 -17.482 1.00 0.00 C ATOM 0 H PHE A 19 -3.958 -1.503 -11.563 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.458 -0.306 -13.860 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.789 -3.074 -12.905 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.366 -2.862 -13.641 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.365 -0.822 -14.470 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.944 -4.024 -15.714 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.315 -0.794 -16.717 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.889 -4.000 -17.959 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.075 -2.386 -18.460 1.00 0.00 H new ATOM 315 N ALA A 20 -7.798 -0.555 -12.791 1.00 0.00 N ATOM 316 CA ALA A 20 -9.057 -0.384 -12.012 1.00 0.00 C ATOM 317 C ALA A 20 -10.236 -0.927 -12.823 1.00 0.00 C ATOM 318 O ALA A 20 -10.060 -1.545 -13.855 1.00 0.00 O ATOM 319 CB ALA A 20 -9.279 1.101 -11.723 1.00 0.00 C ATOM 0 H ALA A 20 -7.890 -0.424 -13.798 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.980 -0.930 -11.072 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.200 1.227 -11.153 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.439 1.489 -11.146 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.356 1.647 -12.663 1.00 0.00 H new ATOM 325 N ALA A 21 -11.437 -0.702 -12.365 1.00 0.00 N ATOM 326 CA ALA A 21 -12.624 -1.207 -13.109 1.00 0.00 C ATOM 327 C ALA A 21 -13.451 -0.021 -13.611 1.00 0.00 C ATOM 328 O ALA A 21 -13.770 0.075 -14.780 1.00 0.00 O ATOM 329 CB ALA A 21 -13.481 -2.068 -12.178 1.00 0.00 C ATOM 0 H ALA A 21 -11.647 -0.190 -11.508 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.294 -1.807 -13.957 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.350 -2.438 -12.722 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.892 -2.912 -11.818 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.812 -1.468 -11.330 1.00 0.00 H new ATOM 335 N SER A 22 -13.801 0.883 -12.738 1.00 0.00 N ATOM 336 CA SER A 22 -14.607 2.060 -13.167 1.00 0.00 C ATOM 337 C SER A 22 -14.642 3.094 -12.039 1.00 0.00 C ATOM 338 O SER A 22 -14.835 2.761 -10.886 1.00 0.00 O ATOM 339 CB SER A 22 -16.033 1.612 -13.490 1.00 0.00 C ATOM 340 OG SER A 22 -16.797 1.577 -12.292 1.00 0.00 O ATOM 0 H SER A 22 -13.564 0.857 -11.746 1.00 0.00 H new ATOM 0 HA SER A 22 -14.155 2.504 -14.054 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.488 2.297 -14.205 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.020 0.627 -13.956 1.00 0.00 H new ATOM 0 HG SER A 22 -17.712 1.292 -12.496 1.00 0.00 H new ATOM 346 N GLU A 23 -14.455 4.344 -12.361 1.00 0.00 N ATOM 347 CA GLU A 23 -14.477 5.396 -11.306 1.00 0.00 C ATOM 348 C GLU A 23 -15.677 5.167 -10.384 1.00 0.00 C ATOM 349 O GLU A 23 -15.679 5.574 -9.239 1.00 0.00 O ATOM 350 CB GLU A 23 -14.593 6.774 -11.960 1.00 0.00 C ATOM 351 CG GLU A 23 -13.892 7.815 -11.085 1.00 0.00 C ATOM 352 CD GLU A 23 -14.127 9.212 -11.665 1.00 0.00 C ATOM 353 OE1 GLU A 23 -14.228 9.318 -12.876 1.00 0.00 O ATOM 354 OE2 GLU A 23 -14.203 10.149 -10.888 1.00 0.00 O ATOM 0 H GLU A 23 -14.288 4.682 -13.309 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.556 5.347 -10.725 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.144 6.756 -12.953 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -15.642 7.040 -12.090 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.273 7.764 -10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.824 7.605 -11.037 1.00 0.00 H new ATOM 361 N GLU A 24 -16.698 4.518 -10.875 1.00 0.00 N ATOM 362 CA GLU A 24 -17.896 4.264 -10.026 1.00 0.00 C ATOM 363 C GLU A 24 -17.557 3.211 -8.969 1.00 0.00 C ATOM 364 O GLU A 24 -17.542 3.488 -7.785 1.00 0.00 O ATOM 365 CB GLU A 24 -19.043 3.757 -10.901 1.00 0.00 C ATOM 366 CG GLU A 24 -20.375 4.257 -10.339 1.00 0.00 C ATOM 367 CD GLU A 24 -21.517 3.403 -10.893 1.00 0.00 C ATOM 368 OE1 GLU A 24 -21.228 2.396 -11.519 1.00 0.00 O ATOM 369 OE2 GLU A 24 -22.661 3.770 -10.682 1.00 0.00 O ATOM 0 H GLU A 24 -16.754 4.153 -11.826 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.196 5.189 -9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -18.915 4.107 -11.925 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.036 2.667 -10.933 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -20.364 4.206 -9.250 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.525 5.303 -10.608 1.00 0.00 H new ATOM 376 N LEU A 25 -17.286 2.005 -9.385 1.00 0.00 N ATOM 377 CA LEU A 25 -16.949 0.936 -8.403 1.00 0.00 C ATOM 378 C LEU A 25 -15.754 1.380 -7.557 1.00 0.00 C ATOM 379 O LEU A 25 -15.521 0.872 -6.477 1.00 0.00 O ATOM 380 CB LEU A 25 -16.594 -0.352 -9.150 1.00 0.00 C ATOM 381 CG LEU A 25 -17.770 -0.768 -10.036 1.00 0.00 C ATOM 382 CD1 LEU A 25 -17.240 -1.412 -11.319 1.00 0.00 C ATOM 383 CD2 LEU A 25 -18.642 -1.775 -9.285 1.00 0.00 C ATOM 0 H LEU A 25 -17.283 1.713 -10.362 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.807 0.755 -7.755 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.703 -0.198 -9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -16.362 -1.145 -8.439 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.363 0.111 -10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -18.078 -1.708 -11.950 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.617 -0.696 -11.855 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.647 -2.291 -11.067 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.480 -2.072 -9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -18.048 -2.654 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -19.020 -1.318 -8.370 1.00 0.00 H new ATOM 395 N VAL A 26 -14.993 2.324 -8.038 1.00 0.00 N ATOM 396 CA VAL A 26 -13.814 2.800 -7.261 1.00 0.00 C ATOM 397 C VAL A 26 -14.279 3.761 -6.166 1.00 0.00 C ATOM 398 O VAL A 26 -13.963 3.596 -5.005 1.00 0.00 O ATOM 399 CB VAL A 26 -12.845 3.525 -8.197 1.00 0.00 C ATOM 400 CG1 VAL A 26 -11.956 4.467 -7.383 1.00 0.00 C ATOM 401 CG2 VAL A 26 -11.970 2.497 -8.917 1.00 0.00 C ATOM 0 H VAL A 26 -15.137 2.786 -8.936 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.311 1.947 -6.806 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.410 4.101 -8.929 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.266 4.983 -8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.578 5.199 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.390 3.891 -6.651 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.279 3.011 -9.585 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.405 1.922 -8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.602 1.824 -9.497 1.00 0.00 H new ATOM 411 N ASP A 27 -15.032 4.765 -6.525 1.00 0.00 N ATOM 412 CA ASP A 27 -15.518 5.735 -5.503 1.00 0.00 C ATOM 413 C ASP A 27 -16.374 4.999 -4.470 1.00 0.00 C ATOM 414 O ASP A 27 -16.244 5.207 -3.281 1.00 0.00 O ATOM 415 CB ASP A 27 -16.360 6.816 -6.185 1.00 0.00 C ATOM 416 CG ASP A 27 -16.060 8.174 -5.547 1.00 0.00 C ATOM 417 OD1 ASP A 27 -15.117 8.814 -5.980 1.00 0.00 O ATOM 418 OD2 ASP A 27 -16.780 8.550 -4.636 1.00 0.00 O ATOM 0 H ASP A 27 -15.331 4.955 -7.481 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.665 6.198 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.138 6.846 -7.252 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.420 6.582 -6.087 1.00 0.00 H new ATOM 423 N GLU A 28 -17.248 4.138 -4.916 1.00 0.00 N ATOM 424 CA GLU A 28 -18.110 3.389 -3.960 1.00 0.00 C ATOM 425 C GLU A 28 -17.229 2.636 -2.961 1.00 0.00 C ATOM 426 O GLU A 28 -17.363 2.786 -1.763 1.00 0.00 O ATOM 427 CB GLU A 28 -18.976 2.390 -4.729 1.00 0.00 C ATOM 428 CG GLU A 28 -20.373 2.978 -4.936 1.00 0.00 C ATOM 429 CD GLU A 28 -21.279 1.929 -5.585 1.00 0.00 C ATOM 430 OE1 GLU A 28 -21.689 1.016 -4.887 1.00 0.00 O ATOM 431 OE2 GLU A 28 -21.546 2.057 -6.768 1.00 0.00 O ATOM 0 H GLU A 28 -17.402 3.921 -5.901 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.751 4.089 -3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.519 2.163 -5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -19.043 1.452 -4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -20.791 3.294 -3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.316 3.865 -5.567 1.00 0.00 H new ATOM 438 N TYR A 29 -16.325 1.828 -3.444 1.00 0.00 N ATOM 439 CA TYR A 29 -15.435 1.067 -2.523 1.00 0.00 C ATOM 440 C TYR A 29 -14.882 2.013 -1.455 1.00 0.00 C ATOM 441 O TYR A 29 -14.843 1.689 -0.286 1.00 0.00 O ATOM 442 CB TYR A 29 -14.277 0.459 -3.316 1.00 0.00 C ATOM 443 CG TYR A 29 -13.252 -0.102 -2.360 1.00 0.00 C ATOM 444 CD1 TYR A 29 -13.452 -1.359 -1.779 1.00 0.00 C ATOM 445 CD2 TYR A 29 -12.102 0.637 -2.054 1.00 0.00 C ATOM 446 CE1 TYR A 29 -12.502 -1.878 -0.891 1.00 0.00 C ATOM 447 CE2 TYR A 29 -11.152 0.116 -1.167 1.00 0.00 C ATOM 448 CZ TYR A 29 -11.352 -1.141 -0.586 1.00 0.00 C ATOM 449 OH TYR A 29 -10.416 -1.654 0.289 1.00 0.00 O ATOM 0 H TYR A 29 -16.165 1.662 -4.438 1.00 0.00 H new ATOM 0 HA TYR A 29 -16.003 0.269 -2.045 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -14.646 -0.328 -3.973 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.820 1.217 -3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -14.339 -1.929 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.948 1.608 -2.502 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.657 -2.848 -0.441 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.265 0.685 -0.931 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.679 -1.016 0.390 1.00 0.00 H new ATOM 459 N LEU A 30 -14.454 3.181 -1.849 1.00 0.00 N ATOM 460 CA LEU A 30 -13.903 4.146 -0.856 1.00 0.00 C ATOM 461 C LEU A 30 -14.982 4.483 0.175 1.00 0.00 C ATOM 462 O LEU A 30 -14.692 4.934 1.267 1.00 0.00 O ATOM 463 CB LEU A 30 -13.467 5.424 -1.574 1.00 0.00 C ATOM 464 CG LEU A 30 -12.119 5.190 -2.258 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.008 6.088 -3.491 1.00 0.00 C ATOM 466 CD2 LEU A 30 -10.989 5.523 -1.282 1.00 0.00 C ATOM 0 H LEU A 30 -14.462 3.509 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.044 3.702 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.216 5.713 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.388 6.245 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.043 4.146 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.047 5.921 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.813 5.852 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.084 7.132 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.028 5.357 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.066 6.567 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.067 4.883 -0.403 1.00 0.00 H new ATOM 478 N LYS A 31 -16.225 4.266 -0.159 1.00 0.00 N ATOM 479 CA LYS A 31 -17.320 4.573 0.802 1.00 0.00 C ATOM 480 C LYS A 31 -17.651 3.318 1.614 1.00 0.00 C ATOM 481 O LYS A 31 -18.195 3.392 2.697 1.00 0.00 O ATOM 482 CB LYS A 31 -18.563 5.025 0.033 1.00 0.00 C ATOM 483 CG LYS A 31 -18.693 6.546 0.119 1.00 0.00 C ATOM 484 CD LYS A 31 -19.994 6.988 -0.554 1.00 0.00 C ATOM 485 CE LYS A 31 -19.682 7.583 -1.929 1.00 0.00 C ATOM 486 NZ LYS A 31 -20.931 8.136 -2.525 1.00 0.00 N ATOM 0 H LYS A 31 -16.529 3.889 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.001 5.369 1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.491 4.714 -1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.452 4.550 0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -18.685 6.864 1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.841 7.022 -0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.669 6.138 -0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.504 7.725 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.932 8.368 -1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.263 6.818 -2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.720 8.541 -3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -21.633 7.376 -2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -21.313 8.878 -1.905 1.00 0.00 H new ATOM 500 N ASN A 32 -17.325 2.165 1.097 1.00 0.00 N ATOM 501 CA ASN A 32 -17.619 0.906 1.838 1.00 0.00 C ATOM 502 C ASN A 32 -16.487 -0.098 1.609 1.00 0.00 C ATOM 503 O ASN A 32 -16.676 -1.129 0.996 1.00 0.00 O ATOM 504 CB ASN A 32 -18.936 0.313 1.334 1.00 0.00 C ATOM 505 CG ASN A 32 -19.957 1.435 1.131 1.00 0.00 C ATOM 506 OD1 ASN A 32 -20.095 2.305 1.967 1.00 0.00 O ATOM 507 ND2 ASN A 32 -20.683 1.452 0.046 1.00 0.00 N ATOM 0 H ASN A 32 -16.868 2.040 0.194 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.702 1.123 2.903 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.773 -0.218 0.396 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -19.317 -0.415 2.050 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -21.366 2.196 -0.099 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -20.567 0.722 -0.656 1.00 0.00 H new ATOM 514 N PRO A 33 -15.318 0.210 2.100 1.00 0.00 N ATOM 515 CA PRO A 33 -14.123 -0.671 1.955 1.00 0.00 C ATOM 516 C PRO A 33 -14.225 -1.932 2.819 1.00 0.00 C ATOM 517 O PRO A 33 -15.100 -2.056 3.652 1.00 0.00 O ATOM 518 CB PRO A 33 -12.962 0.206 2.425 1.00 0.00 C ATOM 519 CG PRO A 33 -13.571 1.226 3.329 1.00 0.00 C ATOM 520 CD PRO A 33 -15.009 1.435 2.852 1.00 0.00 C ATOM 0 HA PRO A 33 -14.009 -1.031 0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.212 -0.385 2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.461 0.679 1.580 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.553 0.886 4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.011 2.160 3.291 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -15.692 1.571 3.691 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -15.096 2.321 2.224 1.00 0.00 H new ATOM 528 N SER A 34 -13.337 -2.868 2.625 1.00 0.00 N ATOM 529 CA SER A 34 -13.384 -4.118 3.435 1.00 0.00 C ATOM 530 C SER A 34 -12.465 -5.168 2.808 1.00 0.00 C ATOM 531 O SER A 34 -12.628 -6.354 3.018 1.00 0.00 O ATOM 532 CB SER A 34 -14.818 -4.649 3.468 1.00 0.00 C ATOM 533 OG SER A 34 -15.417 -4.306 4.710 1.00 0.00 O ATOM 0 H SER A 34 -12.582 -2.821 1.941 1.00 0.00 H new ATOM 0 HA SER A 34 -13.051 -3.906 4.451 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.394 -4.226 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.821 -5.731 3.336 1.00 0.00 H new ATOM 0 HG SER A 34 -15.719 -3.374 4.681 1.00 0.00 H new ATOM 539 N ILE A 35 -11.500 -4.743 2.038 1.00 0.00 N ATOM 540 CA ILE A 35 -10.573 -5.717 1.398 1.00 0.00 C ATOM 541 C ILE A 35 -11.381 -6.852 0.765 1.00 0.00 C ATOM 542 O ILE A 35 -10.847 -7.881 0.403 1.00 0.00 O ATOM 543 CB ILE A 35 -9.629 -6.293 2.456 1.00 0.00 C ATOM 544 CG1 ILE A 35 -8.942 -5.147 3.202 1.00 0.00 C ATOM 545 CG2 ILE A 35 -8.571 -7.165 1.778 1.00 0.00 C ATOM 546 CD1 ILE A 35 -8.254 -4.223 2.197 1.00 0.00 C ATOM 0 H ILE A 35 -11.314 -3.763 1.825 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.991 -5.211 0.627 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.200 -6.898 3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.674 -4.587 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.211 -5.544 3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.899 -7.575 2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.059 -7.981 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.000 -6.562 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.765 -3.407 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.510 -4.787 1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.996 -3.815 1.510 1.00 0.00 H new ATOM 558 N GLY A 36 -12.667 -6.673 0.629 1.00 0.00 N ATOM 559 CA GLY A 36 -13.508 -7.742 0.020 1.00 0.00 C ATOM 560 C GLY A 36 -13.941 -7.315 -1.385 1.00 0.00 C ATOM 561 O GLY A 36 -13.740 -8.026 -2.350 1.00 0.00 O ATOM 0 H GLY A 36 -13.171 -5.833 0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.948 -8.676 -0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.384 -7.928 0.641 1.00 0.00 H new ATOM 565 N LYS A 37 -14.532 -6.159 -1.508 1.00 0.00 N ATOM 566 CA LYS A 37 -14.977 -5.688 -2.850 1.00 0.00 C ATOM 567 C LYS A 37 -13.754 -5.303 -3.686 1.00 0.00 C ATOM 568 O LYS A 37 -13.786 -5.336 -4.900 1.00 0.00 O ATOM 569 CB LYS A 37 -15.888 -4.470 -2.688 1.00 0.00 C ATOM 570 CG LYS A 37 -15.934 -3.687 -4.001 1.00 0.00 C ATOM 571 CD LYS A 37 -17.050 -2.642 -3.934 1.00 0.00 C ATOM 572 CE LYS A 37 -17.092 -1.854 -5.244 1.00 0.00 C ATOM 573 NZ LYS A 37 -18.011 -0.691 -5.096 1.00 0.00 N ATOM 0 H LYS A 37 -14.726 -5.520 -0.737 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.524 -6.486 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.892 -4.789 -2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.520 -3.832 -1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.975 -3.200 -4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.107 -4.366 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.009 -3.130 -3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.880 -1.966 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.092 -1.509 -5.505 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.430 -2.497 -6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.873 -0.856 -5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.265 -0.574 -4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.538 0.171 -5.436 1.00 0.00 H new ATOM 587 N LEU A 38 -12.678 -4.938 -3.045 1.00 0.00 N ATOM 588 CA LEU A 38 -11.455 -4.550 -3.805 1.00 0.00 C ATOM 589 C LEU A 38 -11.155 -5.611 -4.865 1.00 0.00 C ATOM 590 O LEU A 38 -10.492 -5.348 -5.849 1.00 0.00 O ATOM 591 CB LEU A 38 -10.270 -4.443 -2.842 1.00 0.00 C ATOM 592 CG LEU A 38 -9.154 -3.626 -3.494 1.00 0.00 C ATOM 593 CD1 LEU A 38 -9.618 -2.179 -3.676 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.913 -3.653 -2.600 1.00 0.00 C ATOM 0 H LEU A 38 -12.592 -4.891 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.618 -3.588 -4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.585 -3.970 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.905 -5.438 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.912 -4.055 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.822 -1.597 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.502 -2.158 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.861 -1.750 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.117 -3.071 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.156 -3.225 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.580 -4.683 -2.470 1.00 0.00 H new ATOM 606 N SER A 39 -11.637 -6.809 -4.674 1.00 0.00 N ATOM 607 CA SER A 39 -11.378 -7.884 -5.672 1.00 0.00 C ATOM 608 C SER A 39 -12.184 -7.606 -6.942 1.00 0.00 C ATOM 609 O SER A 39 -11.901 -8.138 -7.997 1.00 0.00 O ATOM 610 CB SER A 39 -11.798 -9.233 -5.086 1.00 0.00 C ATOM 611 OG SER A 39 -12.986 -9.066 -4.326 1.00 0.00 O ATOM 0 H SER A 39 -12.199 -7.089 -3.870 1.00 0.00 H new ATOM 0 HA SER A 39 -10.316 -7.907 -5.915 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.963 -9.954 -5.886 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.003 -9.632 -4.456 1.00 0.00 H new ATOM 0 HG SER A 39 -12.753 -8.861 -3.396 1.00 0.00 H new ATOM 617 N GLU A 40 -13.188 -6.778 -6.850 1.00 0.00 N ATOM 618 CA GLU A 40 -14.011 -6.467 -8.053 1.00 0.00 C ATOM 619 C GLU A 40 -13.540 -5.146 -8.665 1.00 0.00 C ATOM 620 O GLU A 40 -13.779 -4.868 -9.824 1.00 0.00 O ATOM 621 CB GLU A 40 -15.481 -6.346 -7.647 1.00 0.00 C ATOM 622 CG GLU A 40 -16.063 -7.741 -7.410 1.00 0.00 C ATOM 623 CD GLU A 40 -17.072 -7.687 -6.263 1.00 0.00 C ATOM 624 OE1 GLU A 40 -17.489 -6.592 -5.919 1.00 0.00 O ATOM 625 OE2 GLU A 40 -17.411 -8.739 -5.747 1.00 0.00 O ATOM 0 H GLU A 40 -13.474 -6.303 -5.994 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.901 -7.266 -8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.571 -5.745 -6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -16.044 -5.834 -8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.547 -8.103 -8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -15.264 -8.444 -7.173 1.00 0.00 H new ATOM 632 N VAL A 41 -12.873 -4.329 -7.897 1.00 0.00 N ATOM 633 CA VAL A 41 -12.389 -3.028 -8.437 1.00 0.00 C ATOM 634 C VAL A 41 -11.011 -3.222 -9.075 1.00 0.00 C ATOM 635 O VAL A 41 -10.727 -2.695 -10.132 1.00 0.00 O ATOM 636 CB VAL A 41 -12.284 -2.011 -7.299 1.00 0.00 C ATOM 637 CG1 VAL A 41 -11.726 -0.694 -7.839 1.00 0.00 C ATOM 638 CG2 VAL A 41 -13.673 -1.770 -6.703 1.00 0.00 C ATOM 0 H VAL A 41 -12.642 -4.506 -6.919 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.090 -2.663 -9.188 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.618 -2.397 -6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.652 0.030 -7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.737 -0.865 -8.264 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -12.391 -0.306 -8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.600 -1.046 -5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -14.338 -1.384 -7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -14.071 -2.708 -6.317 1.00 0.00 H new ATOM 648 N VAL A 42 -10.154 -3.975 -8.441 1.00 0.00 N ATOM 649 CA VAL A 42 -8.797 -4.202 -9.014 1.00 0.00 C ATOM 650 C VAL A 42 -8.816 -5.456 -9.889 1.00 0.00 C ATOM 651 O VAL A 42 -9.458 -6.438 -9.571 1.00 0.00 O ATOM 652 CB VAL A 42 -7.790 -4.388 -7.878 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.408 -4.685 -8.463 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.724 -3.109 -7.040 1.00 0.00 C ATOM 0 H VAL A 42 -10.334 -4.442 -7.552 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.509 -3.342 -9.619 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.104 -5.220 -7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.691 -4.817 -7.653 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.454 -5.596 -9.060 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.094 -3.853 -9.094 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.006 -3.241 -6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.411 -2.277 -7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.708 -2.897 -6.622 1.00 0.00 H new ATOM 664 N GLU A 43 -8.117 -5.432 -10.991 1.00 0.00 N ATOM 665 CA GLU A 43 -8.096 -6.623 -11.885 1.00 0.00 C ATOM 666 C GLU A 43 -6.787 -7.390 -11.684 1.00 0.00 C ATOM 667 O GLU A 43 -6.775 -8.601 -11.583 1.00 0.00 O ATOM 668 CB GLU A 43 -8.202 -6.168 -13.343 1.00 0.00 C ATOM 669 CG GLU A 43 -9.671 -5.937 -13.700 1.00 0.00 C ATOM 670 CD GLU A 43 -9.816 -5.823 -15.219 1.00 0.00 C ATOM 671 OE1 GLU A 43 -8.845 -5.456 -15.861 1.00 0.00 O ATOM 672 OE2 GLU A 43 -10.894 -6.106 -15.715 1.00 0.00 O ATOM 0 H GLU A 43 -7.560 -4.639 -11.310 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.938 -7.272 -11.644 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.632 -5.251 -13.491 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.771 -6.921 -14.002 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.281 -6.760 -13.327 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.034 -5.028 -13.220 1.00 0.00 H new ATOM 679 N LEU A 44 -5.684 -6.694 -11.623 1.00 0.00 N ATOM 680 CA LEU A 44 -4.378 -7.384 -11.428 1.00 0.00 C ATOM 681 C LEU A 44 -3.705 -6.852 -10.161 1.00 0.00 C ATOM 682 O LEU A 44 -3.194 -5.751 -10.134 1.00 0.00 O ATOM 683 CB LEU A 44 -3.476 -7.118 -12.635 1.00 0.00 C ATOM 684 CG LEU A 44 -4.320 -7.102 -13.910 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.431 -6.758 -15.107 1.00 0.00 C ATOM 686 CD2 LEU A 44 -4.949 -8.481 -14.123 1.00 0.00 C ATOM 0 H LEU A 44 -5.631 -5.678 -11.700 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.544 -8.457 -11.328 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.962 -6.164 -12.515 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.708 -7.888 -12.705 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.107 -6.354 -13.815 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.033 -6.747 -16.016 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.982 -5.776 -14.957 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.644 -7.506 -15.202 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.551 -8.470 -15.032 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.162 -9.229 -14.218 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.583 -8.727 -13.271 1.00 0.00 H new ATOM 698 N PHE A 45 -3.701 -7.627 -9.111 1.00 0.00 N ATOM 699 CA PHE A 45 -3.061 -7.165 -7.847 1.00 0.00 C ATOM 700 C PHE A 45 -1.552 -7.032 -8.059 1.00 0.00 C ATOM 701 O PHE A 45 -0.774 -7.825 -7.568 1.00 0.00 O ATOM 702 CB PHE A 45 -3.333 -8.181 -6.736 1.00 0.00 C ATOM 703 CG PHE A 45 -4.661 -7.874 -6.085 1.00 0.00 C ATOM 704 CD1 PHE A 45 -5.816 -7.773 -6.868 1.00 0.00 C ATOM 705 CD2 PHE A 45 -4.735 -7.690 -4.700 1.00 0.00 C ATOM 706 CE1 PHE A 45 -7.048 -7.489 -6.265 1.00 0.00 C ATOM 707 CE2 PHE A 45 -5.967 -7.406 -4.097 1.00 0.00 C ATOM 708 CZ PHE A 45 -7.122 -7.305 -4.880 1.00 0.00 C ATOM 0 H PHE A 45 -4.113 -8.559 -9.074 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.475 -6.197 -7.563 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.342 -9.191 -7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.536 -8.146 -5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.758 -7.914 -7.937 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.843 -7.767 -4.096 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.940 -7.412 -6.869 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.025 -7.265 -3.028 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.072 -7.085 -4.415 1.00 0.00 H new ATOM 718 N GLU A 46 -1.132 -6.034 -8.788 1.00 0.00 N ATOM 719 CA GLU A 46 0.327 -5.852 -9.031 1.00 0.00 C ATOM 720 C GLU A 46 0.622 -4.371 -9.277 1.00 0.00 C ATOM 721 O GLU A 46 -0.268 -3.543 -9.283 1.00 0.00 O ATOM 722 CB GLU A 46 0.747 -6.667 -10.256 1.00 0.00 C ATOM 723 CG GLU A 46 2.273 -6.671 -10.369 1.00 0.00 C ATOM 724 CD GLU A 46 2.747 -8.050 -10.831 1.00 0.00 C ATOM 725 OE1 GLU A 46 2.187 -8.556 -11.790 1.00 0.00 O ATOM 726 OE2 GLU A 46 3.662 -8.576 -10.219 1.00 0.00 O ATOM 0 H GLU A 46 -1.736 -5.338 -9.225 1.00 0.00 H new ATOM 0 HA GLU A 46 0.886 -6.194 -8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.376 -7.688 -10.171 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.306 -6.241 -11.158 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.598 -5.907 -11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.720 -6.425 -9.406 1.00 0.00 H new ATOM 733 N VAL A 47 1.865 -4.029 -9.480 1.00 0.00 N ATOM 734 CA VAL A 47 2.215 -2.602 -9.727 1.00 0.00 C ATOM 735 C VAL A 47 2.956 -2.481 -11.060 1.00 0.00 C ATOM 736 O VAL A 47 3.882 -3.218 -11.335 1.00 0.00 O ATOM 737 CB VAL A 47 3.113 -2.096 -8.596 1.00 0.00 C ATOM 738 CG1 VAL A 47 3.581 -0.675 -8.914 1.00 0.00 C ATOM 739 CG2 VAL A 47 2.325 -2.090 -7.285 1.00 0.00 C ATOM 0 H VAL A 47 2.653 -4.676 -9.485 1.00 0.00 H new ATOM 0 HA VAL A 47 1.304 -2.005 -9.764 1.00 0.00 H new ATOM 0 HB VAL A 47 3.979 -2.751 -8.498 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.221 -0.314 -8.109 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.141 -0.677 -9.849 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.715 -0.020 -9.011 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.963 -1.730 -6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.460 -1.434 -7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.989 -3.102 -7.058 1.00 0.00 H new ATOM 749 N PHE A 48 2.555 -1.558 -11.891 1.00 0.00 N ATOM 750 CA PHE A 48 3.237 -1.391 -13.205 1.00 0.00 C ATOM 751 C PHE A 48 3.856 0.006 -13.284 1.00 0.00 C ATOM 752 O PHE A 48 3.709 0.812 -12.388 1.00 0.00 O ATOM 753 CB PHE A 48 2.218 -1.561 -14.333 1.00 0.00 C ATOM 754 CG PHE A 48 1.498 -2.877 -14.166 1.00 0.00 C ATOM 755 CD1 PHE A 48 2.176 -4.081 -14.396 1.00 0.00 C ATOM 756 CD2 PHE A 48 0.152 -2.896 -13.783 1.00 0.00 C ATOM 757 CE1 PHE A 48 1.508 -5.302 -14.241 1.00 0.00 C ATOM 758 CE2 PHE A 48 -0.517 -4.116 -13.628 1.00 0.00 C ATOM 759 CZ PHE A 48 0.162 -5.319 -13.858 1.00 0.00 C ATOM 0 H PHE A 48 1.785 -0.913 -11.717 1.00 0.00 H new ATOM 0 HA PHE A 48 4.020 -2.142 -13.306 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.503 -0.739 -14.319 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.721 -1.529 -15.300 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.214 -4.068 -14.693 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.371 -1.968 -13.607 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.031 -6.230 -14.417 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.555 -4.129 -13.331 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.353 -6.261 -13.740 1.00 0.00 H new ATOM 769 N THR A 49 4.550 0.298 -14.350 1.00 0.00 N ATOM 770 CA THR A 49 5.179 1.642 -14.486 1.00 0.00 C ATOM 771 C THR A 49 6.051 1.673 -15.742 1.00 0.00 C ATOM 772 O THR A 49 6.575 0.663 -16.168 1.00 0.00 O ATOM 773 CB THR A 49 6.044 1.927 -13.256 1.00 0.00 C ATOM 774 OG1 THR A 49 7.060 2.859 -13.599 1.00 0.00 O ATOM 775 CG2 THR A 49 6.684 0.628 -12.767 1.00 0.00 C ATOM 0 H THR A 49 4.709 -0.336 -15.133 1.00 0.00 H new ATOM 0 HA THR A 49 4.401 2.401 -14.566 1.00 0.00 H new ATOM 0 HB THR A 49 5.422 2.343 -12.463 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.875 3.719 -13.167 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.300 0.833 -11.891 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.903 -0.085 -12.503 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.306 0.209 -13.558 1.00 0.00 H new ATOM 783 N PRO A 50 6.205 2.829 -16.326 1.00 0.00 N ATOM 784 CA PRO A 50 7.027 3.010 -17.557 1.00 0.00 C ATOM 785 C PRO A 50 8.527 2.888 -17.273 1.00 0.00 C ATOM 786 O PRO A 50 8.940 2.640 -16.157 1.00 0.00 O ATOM 787 CB PRO A 50 6.685 4.427 -18.021 1.00 0.00 C ATOM 788 CG PRO A 50 6.220 5.146 -16.798 1.00 0.00 C ATOM 789 CD PRO A 50 5.607 4.094 -15.873 1.00 0.00 C ATOM 0 HA PRO A 50 6.811 2.245 -18.303 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.555 4.918 -18.458 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.909 4.413 -18.787 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.051 5.654 -16.309 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.486 5.910 -17.054 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.843 4.295 -14.828 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.520 4.074 -15.956 1.00 0.00 H new ATOM 911 N LEU A 60 5.865 -1.559 -21.365 1.00 0.00 N ATOM 912 CA LEU A 60 5.646 -1.247 -19.924 1.00 0.00 C ATOM 913 C LEU A 60 6.654 -2.024 -19.076 1.00 0.00 C ATOM 914 O LEU A 60 7.482 -2.750 -19.589 1.00 0.00 O ATOM 915 CB LEU A 60 4.225 -1.650 -19.525 1.00 0.00 C ATOM 916 CG LEU A 60 3.318 -0.418 -19.547 1.00 0.00 C ATOM 917 CD1 LEU A 60 1.855 -0.861 -19.595 1.00 0.00 C ATOM 918 CD2 LEU A 60 3.559 0.411 -18.283 1.00 0.00 C ATOM 0 HA LEU A 60 5.780 -0.178 -19.759 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.844 -2.407 -20.211 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.228 -2.094 -18.530 1.00 0.00 H new ATOM 0 HG LEU A 60 3.543 0.184 -20.427 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.209 0.017 -19.611 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.684 -1.454 -20.494 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.628 -1.463 -18.715 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.914 1.290 -18.296 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.333 -0.192 -17.404 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.602 0.727 -18.248 1.00 0.00 H new ATOM 930 N GLY A 61 6.592 -1.877 -17.780 1.00 0.00 N ATOM 931 CA GLY A 61 7.548 -2.609 -16.901 1.00 0.00 C ATOM 932 C GLY A 61 7.060 -2.553 -15.454 1.00 0.00 C ATOM 933 O GLY A 61 6.014 -2.006 -15.161 1.00 0.00 O ATOM 0 H GLY A 61 5.922 -1.282 -17.293 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.636 -3.646 -17.226 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.541 -2.166 -16.978 1.00 0.00 H new ATOM 937 N ALA A 62 7.808 -3.112 -14.544 1.00 0.00 N ATOM 938 CA ALA A 62 7.387 -3.090 -13.114 1.00 0.00 C ATOM 939 C ALA A 62 8.459 -2.389 -12.278 1.00 0.00 C ATOM 940 O ALA A 62 9.639 -2.626 -12.438 1.00 0.00 O ATOM 941 CB ALA A 62 7.207 -4.525 -12.614 1.00 0.00 C ATOM 0 H ALA A 62 8.693 -3.584 -14.728 1.00 0.00 H new ATOM 0 HA ALA A 62 6.444 -2.552 -13.020 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.899 -4.510 -11.568 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.443 -5.025 -13.210 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.150 -5.064 -12.707 1.00 0.00 H new ATOM 947 N ALA A 63 8.057 -1.525 -11.384 1.00 0.00 N ATOM 948 CA ALA A 63 9.054 -0.810 -10.539 1.00 0.00 C ATOM 949 C ALA A 63 9.802 -1.822 -9.669 1.00 0.00 C ATOM 950 O ALA A 63 9.576 -3.013 -9.750 1.00 0.00 O ATOM 951 CB ALA A 63 8.331 0.200 -9.644 1.00 0.00 C ATOM 0 H ALA A 63 7.082 -1.285 -11.203 1.00 0.00 H new ATOM 0 HA ALA A 63 9.765 -0.285 -11.177 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.059 0.724 -9.025 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.797 0.920 -10.265 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.621 -0.324 -9.004 1.00 0.00 H new ATOM 957 N SER A 64 10.693 -1.357 -8.835 1.00 0.00 N ATOM 958 CA SER A 64 11.455 -2.293 -7.961 1.00 0.00 C ATOM 959 C SER A 64 10.891 -2.240 -6.541 1.00 0.00 C ATOM 960 O SER A 64 10.615 -1.182 -6.011 1.00 0.00 O ATOM 961 CB SER A 64 12.928 -1.885 -7.940 1.00 0.00 C ATOM 962 OG SER A 64 13.739 -3.043 -8.084 1.00 0.00 O ATOM 0 H SER A 64 10.925 -0.370 -8.722 1.00 0.00 H new ATOM 0 HA SER A 64 11.364 -3.307 -8.349 1.00 0.00 H new ATOM 0 HB2 SER A 64 13.134 -1.181 -8.746 1.00 0.00 H new ATOM 0 HB3 SER A 64 13.163 -1.377 -7.005 1.00 0.00 H new ATOM 0 HG SER A 64 14.684 -2.784 -8.073 1.00 0.00 H new ATOM 968 N LYS A 65 10.717 -3.374 -5.918 1.00 0.00 N ATOM 969 CA LYS A 65 10.170 -3.387 -4.532 1.00 0.00 C ATOM 970 C LYS A 65 10.839 -2.285 -3.708 1.00 0.00 C ATOM 971 O LYS A 65 10.268 -1.763 -2.772 1.00 0.00 O ATOM 972 CB LYS A 65 10.449 -4.747 -3.887 1.00 0.00 C ATOM 973 CG LYS A 65 10.295 -5.850 -4.935 1.00 0.00 C ATOM 974 CD LYS A 65 9.589 -7.055 -4.309 1.00 0.00 C ATOM 975 CE LYS A 65 9.571 -8.213 -5.308 1.00 0.00 C ATOM 976 NZ LYS A 65 10.070 -9.450 -4.643 1.00 0.00 N ATOM 0 H LYS A 65 10.930 -4.292 -6.309 1.00 0.00 H new ATOM 0 HA LYS A 65 9.094 -3.213 -4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.456 -4.764 -3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.760 -4.918 -3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.722 -5.481 -5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.273 -6.145 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.102 -7.357 -3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.570 -6.787 -4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.559 -8.370 -5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.194 -7.974 -6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.058 -10.238 -5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.043 -9.296 -4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.458 -9.680 -3.834 1.00 0.00 H new ATOM 990 N ALA A 66 12.047 -1.927 -4.049 1.00 0.00 N ATOM 991 CA ALA A 66 12.751 -0.859 -3.285 1.00 0.00 C ATOM 992 C ALA A 66 12.227 0.510 -3.722 1.00 0.00 C ATOM 993 O ALA A 66 12.362 1.490 -3.015 1.00 0.00 O ATOM 994 CB ALA A 66 14.253 -0.941 -3.562 1.00 0.00 C ATOM 0 H ALA A 66 12.576 -2.328 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 66 12.569 -0.995 -2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.769 -0.160 -3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.627 -1.917 -3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.434 -0.805 -4.628 1.00 0.00 H new ATOM 1000 N GLN A 67 11.631 0.588 -4.880 1.00 0.00 N ATOM 1001 CA GLN A 67 11.099 1.895 -5.359 1.00 0.00 C ATOM 1002 C GLN A 67 9.738 2.160 -4.713 1.00 0.00 C ATOM 1003 O GLN A 67 9.424 3.270 -4.335 1.00 0.00 O ATOM 1004 CB GLN A 67 10.944 1.856 -6.881 1.00 0.00 C ATOM 1005 CG GLN A 67 12.097 2.623 -7.531 1.00 0.00 C ATOM 1006 CD GLN A 67 12.006 2.489 -9.052 1.00 0.00 C ATOM 1007 OE1 GLN A 67 12.849 2.991 -9.770 1.00 0.00 O ATOM 1008 NE2 GLN A 67 11.013 1.825 -9.578 1.00 0.00 N ATOM 0 H GLN A 67 11.489 -0.197 -5.515 1.00 0.00 H new ATOM 0 HA GLN A 67 11.791 2.691 -5.085 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.937 0.823 -7.230 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.990 2.297 -7.172 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.056 3.674 -7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.052 2.234 -7.177 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.306 1.404 -8.976 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.944 1.727 -10.591 1.00 0.00 H new ATOM 1017 N VAL A 68 8.925 1.146 -4.585 1.00 0.00 N ATOM 1018 CA VAL A 68 7.585 1.341 -3.964 1.00 0.00 C ATOM 1019 C VAL A 68 7.728 1.376 -2.440 1.00 0.00 C ATOM 1020 O VAL A 68 6.998 2.061 -1.754 1.00 0.00 O ATOM 1021 CB VAL A 68 6.665 0.186 -4.363 1.00 0.00 C ATOM 1022 CG1 VAL A 68 5.222 0.527 -3.985 1.00 0.00 C ATOM 1023 CG2 VAL A 68 6.756 -0.038 -5.874 1.00 0.00 C ATOM 0 H VAL A 68 9.131 0.193 -4.883 1.00 0.00 H new ATOM 0 HA VAL A 68 7.158 2.282 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 68 6.972 -0.720 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.567 -0.296 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.156 0.688 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.914 1.433 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.101 -0.861 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.449 0.869 -6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.783 -0.281 -6.145 1.00 0.00 H new ATOM 1033 N GLU A 69 8.666 0.641 -1.907 1.00 0.00 N ATOM 1034 CA GLU A 69 8.855 0.632 -0.430 1.00 0.00 C ATOM 1035 C GLU A 69 9.235 2.037 0.043 1.00 0.00 C ATOM 1036 O GLU A 69 9.069 2.380 1.197 1.00 0.00 O ATOM 1037 CB GLU A 69 9.970 -0.349 -0.063 1.00 0.00 C ATOM 1038 CG GLU A 69 9.387 -1.756 0.076 1.00 0.00 C ATOM 1039 CD GLU A 69 10.463 -2.791 -0.256 1.00 0.00 C ATOM 1040 OE1 GLU A 69 11.427 -2.874 0.487 1.00 0.00 O ATOM 1041 OE2 GLU A 69 10.306 -3.483 -1.249 1.00 0.00 O ATOM 0 H GLU A 69 9.309 0.047 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 69 7.928 0.324 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.745 -0.339 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.443 -0.046 0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.020 -1.910 1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.534 -1.875 -0.593 1.00 0.00 H new ATOM 1048 N ASN A 70 9.746 2.852 -0.839 1.00 0.00 N ATOM 1049 CA ASN A 70 10.136 4.234 -0.439 1.00 0.00 C ATOM 1050 C ASN A 70 8.901 5.137 -0.452 1.00 0.00 C ATOM 1051 O ASN A 70 8.778 6.047 0.344 1.00 0.00 O ATOM 1052 CB ASN A 70 11.175 4.776 -1.424 1.00 0.00 C ATOM 1053 CG ASN A 70 12.580 4.479 -0.898 1.00 0.00 C ATOM 1054 OD1 ASN A 70 12.740 4.011 0.212 1.00 0.00 O ATOM 1055 ND2 ASN A 70 13.613 4.735 -1.654 1.00 0.00 N ATOM 0 H ASN A 70 9.910 2.621 -1.819 1.00 0.00 H new ATOM 0 HA ASN A 70 10.561 4.215 0.564 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.037 4.317 -2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.043 5.850 -1.554 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.555 4.542 -1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.478 5.128 -2.586 1.00 0.00 H new ATOM 1062 N GLU A 71 7.987 4.893 -1.350 1.00 0.00 N ATOM 1063 CA GLU A 71 6.761 5.739 -1.414 1.00 0.00 C ATOM 1064 C GLU A 71 5.763 5.272 -0.352 1.00 0.00 C ATOM 1065 O GLU A 71 4.915 6.022 0.090 1.00 0.00 O ATOM 1066 CB GLU A 71 6.126 5.613 -2.800 1.00 0.00 C ATOM 1067 CG GLU A 71 6.377 6.896 -3.595 1.00 0.00 C ATOM 1068 CD GLU A 71 5.459 8.005 -3.078 1.00 0.00 C ATOM 1069 OE1 GLU A 71 4.889 7.828 -2.014 1.00 0.00 O ATOM 1070 OE2 GLU A 71 5.343 9.014 -3.755 1.00 0.00 O ATOM 0 H GLU A 71 8.035 4.145 -2.042 1.00 0.00 H new ATOM 0 HA GLU A 71 7.028 6.780 -1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.547 4.757 -3.328 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.055 5.434 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.420 7.198 -3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.193 6.721 -4.655 1.00 0.00 H new ATOM 1077 N PHE A 72 5.856 4.037 0.061 1.00 0.00 N ATOM 1078 CA PHE A 72 4.912 3.524 1.094 1.00 0.00 C ATOM 1079 C PHE A 72 5.692 3.141 2.353 1.00 0.00 C ATOM 1080 O PHE A 72 5.186 3.216 3.455 1.00 0.00 O ATOM 1081 CB PHE A 72 4.182 2.294 0.551 1.00 0.00 C ATOM 1082 CG PHE A 72 3.309 2.698 -0.613 1.00 0.00 C ATOM 1083 CD1 PHE A 72 3.888 2.987 -1.853 1.00 0.00 C ATOM 1084 CD2 PHE A 72 1.921 2.782 -0.449 1.00 0.00 C ATOM 1085 CE1 PHE A 72 3.078 3.362 -2.933 1.00 0.00 C ATOM 1086 CE2 PHE A 72 1.112 3.157 -1.528 1.00 0.00 C ATOM 1087 CZ PHE A 72 1.690 3.447 -2.770 1.00 0.00 C ATOM 0 H PHE A 72 6.544 3.362 -0.272 1.00 0.00 H new ATOM 0 HA PHE A 72 4.185 4.299 1.339 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.903 1.541 0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.574 1.843 1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.959 2.921 -1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.475 2.558 0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.524 3.585 -3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.041 3.223 -1.402 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.065 3.736 -3.602 1.00 0.00 H new ATOM 1097 N GLY A 73 6.921 2.730 2.199 1.00 0.00 N ATOM 1098 CA GLY A 73 7.732 2.343 3.388 1.00 0.00 C ATOM 1099 C GLY A 73 8.072 0.855 3.311 1.00 0.00 C ATOM 1100 O GLY A 73 8.540 0.366 2.301 1.00 0.00 O ATOM 0 H GLY A 73 7.398 2.645 1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.647 2.934 3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.179 2.554 4.303 1.00 0.00 H new ATOM 1104 N LYS A 74 7.843 0.127 4.370 1.00 0.00 N ATOM 1105 CA LYS A 74 8.153 -1.329 4.356 1.00 0.00 C ATOM 1106 C LYS A 74 7.215 -2.041 3.378 1.00 0.00 C ATOM 1107 O LYS A 74 6.961 -3.223 3.496 1.00 0.00 O ATOM 1108 CB LYS A 74 7.960 -1.906 5.760 1.00 0.00 C ATOM 1109 CG LYS A 74 8.751 -1.070 6.768 1.00 0.00 C ATOM 1110 CD LYS A 74 8.058 -1.124 8.132 1.00 0.00 C ATOM 1111 CE LYS A 74 8.088 -2.558 8.666 1.00 0.00 C ATOM 1112 NZ LYS A 74 8.698 -2.568 10.026 1.00 0.00 N ATOM 0 H LYS A 74 7.454 0.479 5.245 1.00 0.00 H new ATOM 0 HA LYS A 74 9.186 -1.477 4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.902 -1.906 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.296 -2.943 5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.770 -1.449 6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.821 -0.038 6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.557 -0.454 8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.028 -0.780 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.077 -2.964 8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.661 -3.196 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.719 -3.542 10.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.668 -2.197 9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.133 -1.972 10.664 1.00 0.00 H new ATOM 1126 N GLY A 75 6.699 -1.331 2.414 1.00 0.00 N ATOM 1127 CA GLY A 75 5.778 -1.966 1.430 1.00 0.00 C ATOM 1128 C GLY A 75 4.848 -2.940 2.154 1.00 0.00 C ATOM 1129 O GLY A 75 4.915 -4.138 1.962 1.00 0.00 O ATOM 0 H GLY A 75 6.875 -0.338 2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.194 -1.202 0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.351 -2.493 0.667 1.00 0.00 H new ATOM 1133 N LYS A 76 3.979 -2.437 2.988 1.00 0.00 N ATOM 1134 CA LYS A 76 3.045 -3.334 3.724 1.00 0.00 C ATOM 1135 C LYS A 76 2.336 -4.257 2.731 1.00 0.00 C ATOM 1136 O LYS A 76 2.564 -4.195 1.540 1.00 0.00 O ATOM 1137 CB LYS A 76 2.008 -2.492 4.469 1.00 0.00 C ATOM 1138 CG LYS A 76 2.719 -1.470 5.357 1.00 0.00 C ATOM 1139 CD LYS A 76 1.693 -0.504 5.949 1.00 0.00 C ATOM 1140 CE LYS A 76 2.362 0.842 6.233 1.00 0.00 C ATOM 1141 NZ LYS A 76 2.536 1.590 4.957 1.00 0.00 N ATOM 0 H LYS A 76 3.876 -1.443 3.191 1.00 0.00 H new ATOM 0 HA LYS A 76 3.607 -3.934 4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.360 -1.981 3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.371 -3.135 5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.257 -1.980 6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.458 -0.920 4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.862 -0.370 5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.278 -0.917 6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.755 1.423 6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.330 0.686 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.681 2.599 5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.362 1.218 4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.686 1.476 4.369 1.00 0.00 H new ATOM 1155 N LYS A 77 1.478 -5.114 3.212 1.00 0.00 N ATOM 1156 CA LYS A 77 0.755 -6.039 2.294 1.00 0.00 C ATOM 1157 C LYS A 77 0.335 -5.281 1.034 1.00 0.00 C ATOM 1158 O LYS A 77 -0.233 -4.209 1.103 1.00 0.00 O ATOM 1159 CB LYS A 77 -0.488 -6.588 2.998 1.00 0.00 C ATOM 1160 CG LYS A 77 -0.063 -7.480 4.165 1.00 0.00 C ATOM 1161 CD LYS A 77 -1.130 -7.429 5.261 1.00 0.00 C ATOM 1162 CE LYS A 77 -0.885 -8.558 6.264 1.00 0.00 C ATOM 1163 NZ LYS A 77 0.433 -8.356 6.929 1.00 0.00 N ATOM 0 H LYS A 77 1.246 -5.214 4.200 1.00 0.00 H new ATOM 0 HA LYS A 77 1.411 -6.865 2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.106 -5.767 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.096 -7.157 2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.073 -8.506 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.896 -7.147 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.100 -6.465 5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.123 -7.527 4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.681 -8.576 7.009 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.903 -9.521 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.498 -8.972 7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.197 -8.593 6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.525 -7.363 7.223 1.00 0.00 H new ATOM 1177 N ILE A 78 0.610 -5.829 -0.119 1.00 0.00 N ATOM 1178 CA ILE A 78 0.226 -5.139 -1.382 1.00 0.00 C ATOM 1179 C ILE A 78 -1.178 -4.547 -1.233 1.00 0.00 C ATOM 1180 O ILE A 78 -1.465 -3.475 -1.726 1.00 0.00 O ATOM 1181 CB ILE A 78 0.237 -6.144 -2.535 1.00 0.00 C ATOM 1182 CG1 ILE A 78 0.111 -5.395 -3.863 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -0.941 -7.109 -2.382 1.00 0.00 C ATOM 1184 CD1 ILE A 78 1.505 -5.022 -4.373 1.00 0.00 C ATOM 0 H ILE A 78 1.084 -6.724 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 78 0.937 -4.339 -1.591 1.00 0.00 H new ATOM 0 HB ILE A 78 1.171 -6.705 -2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.402 -6.017 -4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.492 -4.497 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.934 -7.825 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.854 -7.642 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.875 -6.548 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.416 -4.488 -5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.001 -4.384 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.093 -5.928 -4.522 1.00 0.00 H new ATOM 1196 N GLU A 79 -2.054 -5.239 -0.557 1.00 0.00 N ATOM 1197 CA GLU A 79 -3.437 -4.714 -0.377 1.00 0.00 C ATOM 1198 C GLU A 79 -3.376 -3.296 0.192 1.00 0.00 C ATOM 1199 O GLU A 79 -3.903 -2.363 -0.381 1.00 0.00 O ATOM 1200 CB GLU A 79 -4.204 -5.619 0.590 1.00 0.00 C ATOM 1201 CG GLU A 79 -3.850 -7.081 0.312 1.00 0.00 C ATOM 1202 CD GLU A 79 -4.798 -7.994 1.092 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -5.843 -8.326 0.555 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -4.465 -8.344 2.212 1.00 0.00 O ATOM 0 H GLU A 79 -1.872 -6.144 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.946 -4.696 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.954 -5.363 1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.277 -5.465 0.475 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.926 -7.288 -0.756 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.818 -7.278 0.602 1.00 0.00 H new ATOM 1211 N GLU A 80 -2.737 -3.125 1.317 1.00 0.00 N ATOM 1212 CA GLU A 80 -2.642 -1.767 1.921 1.00 0.00 C ATOM 1213 C GLU A 80 -2.092 -0.784 0.885 1.00 0.00 C ATOM 1214 O GLU A 80 -2.553 0.334 0.770 1.00 0.00 O ATOM 1215 CB GLU A 80 -1.706 -1.810 3.131 1.00 0.00 C ATOM 1216 CG GLU A 80 -2.283 -2.752 4.190 1.00 0.00 C ATOM 1217 CD GLU A 80 -2.074 -2.148 5.579 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -2.320 -0.963 5.733 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -1.670 -2.882 6.467 1.00 0.00 O ATOM 0 H GLU A 80 -2.277 -3.867 1.844 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.632 -1.442 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.716 -2.151 2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.585 -0.809 3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.346 -2.913 4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.798 -3.726 4.129 1.00 0.00 H new ATOM 1226 N VAL A 81 -1.110 -1.192 0.130 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.532 -0.281 -0.898 1.00 0.00 C ATOM 1228 C VAL A 81 -1.629 0.146 -1.875 1.00 0.00 C ATOM 1229 O VAL A 81 -2.027 1.293 -1.913 1.00 0.00 O ATOM 1230 CB VAL A 81 0.574 -1.010 -1.663 1.00 0.00 C ATOM 1231 CG1 VAL A 81 0.815 -0.313 -3.002 1.00 0.00 C ATOM 1232 CG2 VAL A 81 1.863 -0.985 -0.838 1.00 0.00 C ATOM 0 H VAL A 81 -0.683 -2.117 0.180 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.116 0.600 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 81 0.273 -2.042 -1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.603 -0.833 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.103 -0.328 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.116 0.720 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.653 -1.504 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.162 0.048 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.693 -1.481 0.117 1.00 0.00 H new ATOM 1242 N ILE A 82 -2.121 -0.769 -2.665 1.00 0.00 N ATOM 1243 CA ILE A 82 -3.194 -0.415 -3.638 1.00 0.00 C ATOM 1244 C ILE A 82 -4.222 0.490 -2.957 1.00 0.00 C ATOM 1245 O ILE A 82 -4.720 1.430 -3.543 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.881 -1.691 -4.126 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.825 -2.668 -4.650 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -4.858 -1.347 -5.251 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -3.343 -4.101 -4.513 1.00 0.00 C ATOM 0 H ILE A 82 -1.827 -1.746 -2.679 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.756 0.109 -4.487 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.425 -2.149 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.599 -2.450 -5.694 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.896 -2.551 -4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.348 -2.257 -5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.609 -0.650 -4.880 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.315 -0.889 -6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.591 -4.797 -4.886 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.547 -4.315 -3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.260 -4.213 -5.091 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.544 0.214 -1.723 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.540 1.059 -1.006 1.00 0.00 C ATOM 1263 C ASP A 83 -5.013 2.493 -0.904 1.00 0.00 C ATOM 1264 O ASP A 83 -5.585 3.415 -1.450 1.00 0.00 O ATOM 1265 CB ASP A 83 -5.768 0.498 0.399 1.00 0.00 C ATOM 1266 CG ASP A 83 -6.358 1.589 1.294 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -5.585 2.338 1.870 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -7.572 1.658 1.390 1.00 0.00 O ATOM 0 H ASP A 83 -4.160 -0.560 -1.180 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.482 1.056 -1.555 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.443 -0.357 0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.827 0.140 0.816 1.00 0.00 H new ATOM 1273 N LEU A 84 -3.927 2.687 -0.208 1.00 0.00 N ATOM 1274 CA LEU A 84 -3.365 4.060 -0.071 1.00 0.00 C ATOM 1275 C LEU A 84 -3.400 4.762 -1.431 1.00 0.00 C ATOM 1276 O LEU A 84 -3.617 5.955 -1.518 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.919 3.973 0.421 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.882 4.183 1.936 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.524 3.737 2.481 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.093 5.666 2.250 1.00 0.00 C ATOM 0 H LEU A 84 -3.404 1.954 0.272 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.959 4.626 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.495 3.001 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.308 4.727 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.672 3.595 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.498 3.887 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.371 2.681 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.266 4.325 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.067 5.817 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.303 6.253 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.060 5.986 1.862 1.00 0.00 H new ATOM 1292 N ILE A 85 -3.189 4.032 -2.491 1.00 0.00 N ATOM 1293 CA ILE A 85 -3.211 4.658 -3.843 1.00 0.00 C ATOM 1294 C ILE A 85 -4.621 5.169 -4.144 1.00 0.00 C ATOM 1295 O ILE A 85 -4.852 6.358 -4.245 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.810 3.621 -4.893 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -1.325 3.285 -4.735 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -3.057 4.188 -6.292 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.946 2.169 -5.709 1.00 0.00 C ATOM 0 H ILE A 85 -3.002 3.029 -2.480 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.508 5.491 -3.869 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.405 2.718 -4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.719 4.170 -4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.119 2.973 -3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.771 3.449 -7.040 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.114 4.429 -6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.462 5.091 -6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.112 1.931 -5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.543 1.282 -5.496 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.136 2.498 -6.731 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.567 4.281 -4.286 1.00 0.00 N ATOM 1312 CA LEU A 86 -6.961 4.718 -4.580 1.00 0.00 C ATOM 1313 C LEU A 86 -7.370 5.812 -3.592 1.00 0.00 C ATOM 1314 O LEU A 86 -8.207 6.643 -3.882 1.00 0.00 O ATOM 1315 CB LEU A 86 -7.909 3.525 -4.441 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.413 2.374 -5.315 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -7.777 1.040 -4.660 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -8.074 2.460 -6.693 1.00 0.00 C ATOM 0 H LEU A 86 -5.435 3.272 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.014 5.107 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.961 3.208 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.918 3.812 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.331 2.442 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.423 0.220 -5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.309 0.977 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.859 0.972 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.721 1.639 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.156 2.392 -6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.816 3.410 -7.162 1.00 0.00 H new ATOM 1330 N ARG A 87 -6.785 5.819 -2.426 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.139 6.860 -1.420 1.00 0.00 C ATOM 1332 C ARG A 87 -7.266 8.218 -2.114 1.00 0.00 C ATOM 1333 O ARG A 87 -8.183 8.973 -1.860 1.00 0.00 O ATOM 1334 CB ARG A 87 -6.044 6.932 -0.354 1.00 0.00 C ATOM 1335 CG ARG A 87 -6.530 7.781 0.822 1.00 0.00 C ATOM 1336 CD ARG A 87 -7.377 6.917 1.759 1.00 0.00 C ATOM 1337 NE ARG A 87 -8.660 7.617 2.070 1.00 0.00 N ATOM 1338 CZ ARG A 87 -8.677 8.896 2.341 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -7.561 9.567 2.421 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -9.814 9.499 2.556 1.00 0.00 N ATOM 0 H ARG A 87 -6.077 5.149 -2.126 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.088 6.603 -0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.789 5.929 -0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.137 7.364 -0.778 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.678 8.195 1.362 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.117 8.624 0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.582 5.953 1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.829 6.717 2.680 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.534 7.090 2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.670 9.094 2.272 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.580 10.565 2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.687 8.973 2.512 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.830 10.497 2.768 1.00 0.00 H new ATOM 1354 N ASN A 88 -6.350 8.534 -2.988 1.00 0.00 N ATOM 1355 CA ASN A 88 -6.418 9.843 -3.697 1.00 0.00 C ATOM 1356 C ASN A 88 -6.691 9.604 -5.184 1.00 0.00 C ATOM 1357 O ASN A 88 -7.798 9.770 -5.656 1.00 0.00 O ATOM 1358 CB ASN A 88 -5.087 10.581 -3.535 1.00 0.00 C ATOM 1359 CG ASN A 88 -3.966 9.566 -3.305 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -3.780 8.659 -4.091 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -3.204 9.683 -2.251 1.00 0.00 N ATOM 0 H ASN A 88 -5.558 7.943 -3.242 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.221 10.445 -3.272 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.878 11.175 -4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.143 11.274 -2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.453 9.013 -2.088 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.360 10.445 -1.591 1.00 0.00 H new ATOM 1368 N GLY A 89 -5.691 9.215 -5.925 1.00 0.00 N ATOM 1369 CA GLY A 89 -5.894 8.966 -7.381 1.00 0.00 C ATOM 1370 C GLY A 89 -5.695 10.270 -8.155 1.00 0.00 C ATOM 1371 O GLY A 89 -6.219 11.305 -7.792 1.00 0.00 O ATOM 0 H GLY A 89 -4.742 9.059 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.191 8.211 -7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.896 8.575 -7.558 1.00 0.00 H new ATOM 1375 N LYS A 90 -4.941 10.230 -9.219 1.00 0.00 N ATOM 1376 CA LYS A 90 -4.709 11.467 -10.015 1.00 0.00 C ATOM 1377 C LYS A 90 -4.355 12.621 -9.074 1.00 0.00 C ATOM 1378 O LYS A 90 -4.947 13.680 -9.126 1.00 0.00 O ATOM 1379 CB LYS A 90 -5.979 11.818 -10.793 1.00 0.00 C ATOM 1380 CG LYS A 90 -6.026 11.002 -12.087 1.00 0.00 C ATOM 1381 CD LYS A 90 -5.013 11.566 -13.089 1.00 0.00 C ATOM 1382 CE LYS A 90 -5.713 11.856 -14.418 1.00 0.00 C ATOM 1383 NZ LYS A 90 -6.444 13.152 -14.320 1.00 0.00 N ATOM 0 H LYS A 90 -4.476 9.394 -9.571 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.888 11.301 -10.712 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.860 11.608 -10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.996 12.884 -11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.801 9.956 -11.877 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.029 11.034 -12.512 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.566 12.479 -12.695 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.202 10.854 -13.241 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.982 11.898 -15.225 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.408 11.051 -14.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.921 13.351 -15.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.152 13.095 -13.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.770 13.916 -14.109 1.00 0.00 H new