USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 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 56:sc= 0.417 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= -1.58 USER MOD Single : A 9 TYR OH : rot 116:sc= 1.35 USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= -0.26 (180deg=-1.27!) USER MOD Single : A 13 ASN : amide:sc= 0.454 K(o=0.45,f=-0.27) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.34 USER MOD Single : A 29 TYR OH : rot 180:sc= 0.715 USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0195) USER MOD Single : A 32 ASN : amide:sc= -4.19! C(o=-4.2!,f=-3.2!) USER MOD Single : A 34 SER OG : rot 62:sc= 0.673 USER MOD Single : A 37 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.205) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.753 USER MOD Single : A 64 SER OG : rot 180:sc= 0.111 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.196 K(o=-0.2,f=-2!) USER MOD Single : A 70 ASN : amide:sc= -1.9! K(o=-1.9!,f=-0.022) USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0095) USER MOD Single : A 76 LYS NZ :NH3+ 162:sc= -0.0412 (180deg=-0.356) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -11.865 -1.305 -18.380 1.00 0.00 N ATOM 44 CA VAL A 4 -10.825 -1.197 -17.319 1.00 0.00 C ATOM 45 C VAL A 4 -10.223 0.210 -17.335 1.00 0.00 C ATOM 46 O VAL A 4 -9.988 0.782 -18.382 1.00 0.00 O ATOM 47 CB VAL A 4 -9.723 -2.226 -17.577 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.131 -3.573 -16.976 1.00 0.00 C ATOM 49 CG2 VAL A 4 -9.518 -2.384 -19.085 1.00 0.00 C ATOM 0 HA VAL A 4 -11.279 -1.387 -16.346 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.795 -1.888 -17.116 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.346 -4.306 -17.160 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.280 -3.462 -15.902 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.059 -3.911 -17.438 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.733 -3.117 -19.271 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.446 -2.722 -19.545 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.228 -1.425 -19.515 1.00 0.00 H new ATOM 59 N THR A 5 -9.974 0.773 -16.185 1.00 0.00 N ATOM 60 CA THR A 5 -9.388 2.142 -16.137 1.00 0.00 C ATOM 61 C THR A 5 -8.033 2.094 -15.426 1.00 0.00 C ATOM 62 O THR A 5 -7.818 1.295 -14.535 1.00 0.00 O ATOM 63 CB THR A 5 -10.332 3.074 -15.375 1.00 0.00 C ATOM 64 OG1 THR A 5 -11.584 2.430 -15.192 1.00 0.00 O ATOM 65 CG2 THR A 5 -10.531 4.364 -16.172 1.00 0.00 C ATOM 0 H THR A 5 -10.151 0.344 -15.277 1.00 0.00 H new ATOM 0 HA THR A 5 -9.251 2.514 -17.152 1.00 0.00 H new ATOM 0 HB THR A 5 -9.901 3.313 -14.403 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.447 1.572 -14.738 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.204 5.027 -15.628 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.569 4.857 -16.312 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.962 4.128 -17.145 1.00 0.00 H new ATOM 73 N LYS A 6 -7.120 2.942 -15.810 1.00 0.00 N ATOM 74 CA LYS A 6 -5.782 2.945 -15.155 1.00 0.00 C ATOM 75 C LYS A 6 -5.660 4.173 -14.251 1.00 0.00 C ATOM 76 O LYS A 6 -5.923 5.285 -14.661 1.00 0.00 O ATOM 77 CB LYS A 6 -4.689 2.988 -16.225 1.00 0.00 C ATOM 78 CG LYS A 6 -4.009 1.621 -16.316 1.00 0.00 C ATOM 79 CD LYS A 6 -3.312 1.486 -17.671 1.00 0.00 C ATOM 80 CE LYS A 6 -4.183 0.654 -18.614 1.00 0.00 C ATOM 81 NZ LYS A 6 -3.528 0.567 -19.949 1.00 0.00 N ATOM 0 H LYS A 6 -7.243 3.634 -16.550 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.668 2.041 -14.557 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.120 3.256 -17.190 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.955 3.755 -15.979 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.284 1.509 -15.510 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.746 0.828 -16.194 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.133 2.472 -18.100 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.339 1.012 -17.545 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.330 -0.345 -18.204 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.169 1.108 -18.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.120 0.001 -20.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.409 1.523 -20.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.596 0.116 -19.850 1.00 0.00 H new ATOM 95 N TYR A 7 -5.261 3.981 -13.023 1.00 0.00 N ATOM 96 CA TYR A 7 -5.123 5.138 -12.095 1.00 0.00 C ATOM 97 C TYR A 7 -3.641 5.479 -11.921 1.00 0.00 C ATOM 98 O TYR A 7 -2.855 4.663 -11.482 1.00 0.00 O ATOM 99 CB TYR A 7 -5.727 4.776 -10.736 1.00 0.00 C ATOM 100 CG TYR A 7 -7.177 5.194 -10.703 1.00 0.00 C ATOM 101 CD1 TYR A 7 -7.979 5.028 -11.838 1.00 0.00 C ATOM 102 CD2 TYR A 7 -7.719 5.746 -9.536 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.325 5.415 -11.806 1.00 0.00 C ATOM 104 CE2 TYR A 7 -9.064 6.134 -9.505 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.866 5.968 -10.640 1.00 0.00 C ATOM 106 OH TYR A 7 -11.193 6.349 -10.609 1.00 0.00 O ATOM 0 H TYR A 7 -5.025 3.073 -12.623 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.647 6.000 -12.508 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.643 3.703 -10.563 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.176 5.272 -9.937 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.560 4.602 -12.738 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.100 5.872 -8.660 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.945 5.287 -12.681 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.482 6.561 -8.606 1.00 0.00 H new ATOM 0 HH TYR A 7 -11.408 6.713 -9.725 1.00 0.00 H new ATOM 116 N PHE A 8 -3.255 6.678 -12.259 1.00 0.00 N ATOM 117 CA PHE A 8 -1.825 7.070 -12.110 1.00 0.00 C ATOM 118 C PHE A 8 -1.558 7.482 -10.661 1.00 0.00 C ATOM 119 O PHE A 8 -2.462 7.835 -9.929 1.00 0.00 O ATOM 120 CB PHE A 8 -1.519 8.247 -13.040 1.00 0.00 C ATOM 121 CG PHE A 8 -1.045 7.725 -14.375 1.00 0.00 C ATOM 122 CD1 PHE A 8 -1.871 6.885 -15.131 1.00 0.00 C ATOM 123 CD2 PHE A 8 0.220 8.081 -14.856 1.00 0.00 C ATOM 124 CE1 PHE A 8 -1.432 6.402 -16.369 1.00 0.00 C ATOM 125 CE2 PHE A 8 0.659 7.598 -16.094 1.00 0.00 C ATOM 126 CZ PHE A 8 -0.167 6.758 -16.851 1.00 0.00 C ATOM 0 H PHE A 8 -3.868 7.403 -12.632 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.187 6.225 -12.371 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.410 8.860 -13.173 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.756 8.886 -12.596 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.847 6.610 -14.759 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.857 8.728 -14.272 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.069 5.754 -16.953 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.635 7.873 -16.466 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.172 6.385 -17.806 1.00 0.00 H new ATOM 136 N TYR A 9 -0.324 7.439 -10.240 1.00 0.00 N ATOM 137 CA TYR A 9 -0.001 7.828 -8.838 1.00 0.00 C ATOM 138 C TYR A 9 1.368 8.512 -8.800 1.00 0.00 C ATOM 139 O TYR A 9 2.396 7.866 -8.862 1.00 0.00 O ATOM 140 CB TYR A 9 0.029 6.578 -7.956 1.00 0.00 C ATOM 141 CG TYR A 9 0.383 6.969 -6.542 1.00 0.00 C ATOM 142 CD1 TYR A 9 -0.614 7.424 -5.670 1.00 0.00 C ATOM 143 CD2 TYR A 9 1.708 6.876 -6.101 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.285 7.785 -4.358 1.00 0.00 C ATOM 145 CE2 TYR A 9 2.038 7.238 -4.790 1.00 0.00 C ATOM 146 CZ TYR A 9 1.040 7.693 -3.917 1.00 0.00 C ATOM 147 OH TYR A 9 1.364 8.049 -2.625 1.00 0.00 O ATOM 0 H TYR A 9 0.474 7.151 -10.806 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.761 8.516 -8.468 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -0.942 6.083 -7.976 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.758 5.865 -8.341 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.637 7.496 -6.010 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.477 6.524 -6.773 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.054 8.135 -3.686 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.061 7.167 -4.451 1.00 0.00 H new ATOM 0 HH TYR A 9 1.691 7.262 -2.141 1.00 0.00 H new ATOM 157 N LYS A 10 1.390 9.812 -8.700 1.00 0.00 N ATOM 158 CA LYS A 10 2.692 10.535 -8.658 1.00 0.00 C ATOM 159 C LYS A 10 3.207 10.573 -7.218 1.00 0.00 C ATOM 160 O LYS A 10 2.725 11.328 -6.396 1.00 0.00 O ATOM 161 CB LYS A 10 2.499 11.963 -9.170 1.00 0.00 C ATOM 162 CG LYS A 10 3.847 12.689 -9.180 1.00 0.00 C ATOM 163 CD LYS A 10 4.016 13.433 -10.505 1.00 0.00 C ATOM 164 CE LYS A 10 5.460 13.921 -10.636 1.00 0.00 C ATOM 165 NZ LYS A 10 6.387 12.757 -10.546 1.00 0.00 N ATOM 0 H LYS A 10 0.562 10.405 -8.646 1.00 0.00 H new ATOM 0 HA LYS A 10 3.416 10.019 -9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.076 11.946 -10.174 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.792 12.496 -8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.900 13.391 -8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.658 11.974 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.766 12.776 -11.338 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.330 14.279 -10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.596 14.436 -11.587 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.685 14.641 -9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.263 12.970 -11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.612 12.569 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.933 11.919 -10.963 1.00 0.00 H new ATOM 179 N GLY A 11 4.183 9.766 -6.905 1.00 0.00 N ATOM 180 CA GLY A 11 4.728 9.757 -5.517 1.00 0.00 C ATOM 181 C GLY A 11 5.674 10.945 -5.332 1.00 0.00 C ATOM 182 O GLY A 11 5.595 11.930 -6.038 1.00 0.00 O ATOM 0 H GLY A 11 4.627 9.112 -7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.913 9.811 -4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.259 8.823 -5.329 1.00 0.00 H new ATOM 186 N GLU A 12 6.568 10.861 -4.385 1.00 0.00 N ATOM 187 CA GLU A 12 7.518 11.984 -4.156 1.00 0.00 C ATOM 188 C GLU A 12 8.325 12.239 -5.431 1.00 0.00 C ATOM 189 O GLU A 12 8.445 13.359 -5.888 1.00 0.00 O ATOM 190 CB GLU A 12 8.470 11.623 -3.014 1.00 0.00 C ATOM 191 CG GLU A 12 7.673 11.455 -1.718 1.00 0.00 C ATOM 192 CD GLU A 12 7.191 12.823 -1.234 1.00 0.00 C ATOM 193 OE1 GLU A 12 8.029 13.619 -0.842 1.00 0.00 O ATOM 194 OE2 GLU A 12 5.993 13.052 -1.262 1.00 0.00 O ATOM 0 H GLU A 12 6.681 10.063 -3.760 1.00 0.00 H new ATOM 0 HA GLU A 12 6.960 12.883 -3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.002 10.701 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.222 12.403 -2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.821 10.796 -1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.294 10.986 -0.955 1.00 0.00 H new ATOM 201 N ASN A 13 8.881 11.210 -6.009 1.00 0.00 N ATOM 202 CA ASN A 13 9.679 11.393 -7.253 1.00 0.00 C ATOM 203 C ASN A 13 9.422 10.223 -8.203 1.00 0.00 C ATOM 204 O ASN A 13 9.417 10.378 -9.408 1.00 0.00 O ATOM 205 CB ASN A 13 11.167 11.447 -6.901 1.00 0.00 C ATOM 206 CG ASN A 13 11.681 12.879 -7.068 1.00 0.00 C ATOM 207 OD1 ASN A 13 12.796 13.089 -7.503 1.00 0.00 O ATOM 208 ND2 ASN A 13 10.909 13.878 -6.740 1.00 0.00 N ATOM 0 H ASN A 13 8.817 10.249 -5.673 1.00 0.00 H new ATOM 0 HA ASN A 13 9.386 12.324 -7.738 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.321 11.112 -5.875 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.729 10.771 -7.545 1.00 0.00 H new ATOM 0 HD21 ASN A 13 11.241 14.836 -6.849 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.973 13.701 -6.375 1.00 0.00 H new ATOM 215 N THR A 14 9.209 9.050 -7.671 1.00 0.00 N ATOM 216 CA THR A 14 8.954 7.871 -8.545 1.00 0.00 C ATOM 217 C THR A 14 7.469 7.816 -8.911 1.00 0.00 C ATOM 218 O THR A 14 6.607 7.986 -8.072 1.00 0.00 O ATOM 219 CB THR A 14 9.344 6.591 -7.802 1.00 0.00 C ATOM 220 OG1 THR A 14 10.522 6.825 -7.044 1.00 0.00 O ATOM 221 CG2 THR A 14 9.597 5.469 -8.810 1.00 0.00 C ATOM 0 H THR A 14 9.201 8.858 -6.669 1.00 0.00 H new ATOM 0 HA THR A 14 9.548 7.959 -9.454 1.00 0.00 H new ATOM 0 HB THR A 14 8.534 6.298 -7.134 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.772 6.006 -6.566 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.875 4.559 -8.279 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.691 5.289 -9.389 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.406 5.758 -9.481 1.00 0.00 H new ATOM 229 N ASP A 15 7.164 7.578 -10.158 1.00 0.00 N ATOM 230 CA ASP A 15 5.736 7.511 -10.576 1.00 0.00 C ATOM 231 C ASP A 15 5.347 6.052 -10.824 1.00 0.00 C ATOM 232 O ASP A 15 6.096 5.291 -11.404 1.00 0.00 O ATOM 233 CB ASP A 15 5.542 8.318 -11.861 1.00 0.00 C ATOM 234 CG ASP A 15 4.054 8.613 -12.060 1.00 0.00 C ATOM 235 OD1 ASP A 15 3.322 7.686 -12.366 1.00 0.00 O ATOM 236 OD2 ASP A 15 3.672 9.761 -11.903 1.00 0.00 O ATOM 0 H ASP A 15 7.842 7.427 -10.905 1.00 0.00 H new ATOM 0 HA ASP A 15 5.106 7.926 -9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.104 9.250 -11.806 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.930 7.762 -12.714 1.00 0.00 H new ATOM 241 N LEU A 16 4.183 5.655 -10.389 1.00 0.00 N ATOM 242 CA LEU A 16 3.751 4.245 -10.601 1.00 0.00 C ATOM 243 C LEU A 16 2.301 4.221 -11.088 1.00 0.00 C ATOM 244 O LEU A 16 1.518 5.099 -10.783 1.00 0.00 O ATOM 245 CB LEU A 16 3.859 3.476 -9.282 1.00 0.00 C ATOM 246 CG LEU A 16 5.328 3.366 -8.874 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.438 3.385 -7.349 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.908 2.054 -9.409 1.00 0.00 C ATOM 0 H LEU A 16 3.513 6.245 -9.896 1.00 0.00 H new ATOM 0 HA LEU A 16 4.392 3.778 -11.349 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.292 3.987 -8.504 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.426 2.482 -9.392 1.00 0.00 H new ATOM 0 HG LEU A 16 5.884 4.207 -9.289 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.486 3.307 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.024 4.318 -6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.883 2.544 -6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.956 1.974 -9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.351 1.214 -8.994 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.830 2.038 -10.496 1.00 0.00 H new ATOM 260 N ILE A 17 1.935 3.220 -11.842 1.00 0.00 N ATOM 261 CA ILE A 17 0.536 3.138 -12.346 1.00 0.00 C ATOM 262 C ILE A 17 -0.110 1.844 -11.846 1.00 0.00 C ATOM 263 O ILE A 17 0.556 0.853 -11.624 1.00 0.00 O ATOM 264 CB ILE A 17 0.544 3.146 -13.876 1.00 0.00 C ATOM 265 CG1 ILE A 17 1.323 4.366 -14.374 1.00 0.00 C ATOM 266 CG2 ILE A 17 -0.893 3.215 -14.395 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.744 4.144 -15.828 1.00 0.00 C ATOM 0 H ILE A 17 2.545 2.455 -12.130 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.033 3.993 -11.981 1.00 0.00 H new ATOM 0 HB ILE A 17 1.018 2.235 -14.241 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.706 5.261 -14.295 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.202 4.529 -13.751 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.886 3.221 -15.485 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.450 2.348 -14.040 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.368 4.126 -14.030 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.299 5.013 -16.183 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.376 3.258 -15.893 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.857 4.003 -16.446 1.00 0.00 H new ATOM 279 N VAL A 18 -1.403 1.846 -11.666 1.00 0.00 N ATOM 280 CA VAL A 18 -2.087 0.615 -11.180 1.00 0.00 C ATOM 281 C VAL A 18 -3.279 0.301 -12.086 1.00 0.00 C ATOM 282 O VAL A 18 -3.874 1.182 -12.673 1.00 0.00 O ATOM 283 CB VAL A 18 -2.579 0.838 -9.749 1.00 0.00 C ATOM 284 CG1 VAL A 18 -1.380 1.048 -8.823 1.00 0.00 C ATOM 285 CG2 VAL A 18 -3.478 2.075 -9.706 1.00 0.00 C ATOM 0 H VAL A 18 -2.014 2.645 -11.834 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.388 -0.221 -11.199 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.144 -0.034 -9.420 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.731 1.207 -7.803 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.739 0.167 -8.853 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.815 1.920 -9.152 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.829 2.234 -8.686 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.913 2.947 -10.036 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.333 1.926 -10.365 1.00 0.00 H new ATOM 295 N PHE A 19 -3.633 -0.950 -12.204 1.00 0.00 N ATOM 296 CA PHE A 19 -4.787 -1.320 -13.071 1.00 0.00 C ATOM 297 C PHE A 19 -6.073 -1.305 -12.241 1.00 0.00 C ATOM 298 O PHE A 19 -6.076 -1.655 -11.078 1.00 0.00 O ATOM 299 CB PHE A 19 -4.566 -2.721 -13.645 1.00 0.00 C ATOM 300 CG PHE A 19 -3.830 -2.616 -14.959 1.00 0.00 C ATOM 301 CD1 PHE A 19 -2.791 -1.690 -15.109 1.00 0.00 C ATOM 302 CD2 PHE A 19 -4.188 -3.447 -16.028 1.00 0.00 C ATOM 303 CE1 PHE A 19 -2.111 -1.593 -16.329 1.00 0.00 C ATOM 304 CE2 PHE A 19 -3.506 -3.350 -17.248 1.00 0.00 C ATOM 305 CZ PHE A 19 -2.468 -2.423 -17.398 1.00 0.00 C ATOM 0 H PHE A 19 -3.173 -1.731 -11.737 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.873 -0.603 -13.888 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.994 -3.327 -12.943 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.523 -3.221 -13.791 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.514 -1.051 -14.284 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.989 -4.162 -15.912 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.311 -0.877 -16.445 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.781 -3.991 -18.073 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.943 -2.348 -18.339 1.00 0.00 H new ATOM 315 N ALA A 20 -7.166 -0.904 -12.829 1.00 0.00 N ATOM 316 CA ALA A 20 -8.449 -0.869 -12.073 1.00 0.00 C ATOM 317 C ALA A 20 -9.598 -1.278 -12.996 1.00 0.00 C ATOM 318 O ALA A 20 -9.405 -1.529 -14.169 1.00 0.00 O ATOM 319 CB ALA A 20 -8.694 0.548 -11.551 1.00 0.00 C ATOM 0 H ALA A 20 -7.226 -0.599 -13.800 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.394 -1.562 -11.233 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.633 0.575 -10.998 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.876 0.840 -10.892 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.748 1.241 -12.391 1.00 0.00 H new ATOM 325 N ALA A 21 -10.793 -1.346 -12.476 1.00 0.00 N ATOM 326 CA ALA A 21 -11.953 -1.739 -13.324 1.00 0.00 C ATOM 327 C ALA A 21 -12.655 -0.482 -13.842 1.00 0.00 C ATOM 328 O ALA A 21 -12.348 0.021 -14.904 1.00 0.00 O ATOM 329 CB ALA A 21 -12.936 -2.567 -12.493 1.00 0.00 C ATOM 0 H ALA A 21 -11.016 -1.146 -11.501 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.601 -2.333 -14.168 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.785 -2.855 -13.113 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.436 -3.463 -12.124 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.288 -1.974 -11.649 1.00 0.00 H new ATOM 335 N SER A 22 -13.597 0.031 -13.098 1.00 0.00 N ATOM 336 CA SER A 22 -14.318 1.256 -13.547 1.00 0.00 C ATOM 337 C SER A 22 -14.235 2.325 -12.455 1.00 0.00 C ATOM 338 O SER A 22 -13.828 2.058 -11.342 1.00 0.00 O ATOM 339 CB SER A 22 -15.784 0.915 -13.817 1.00 0.00 C ATOM 340 OG SER A 22 -16.518 2.117 -14.003 1.00 0.00 O ATOM 0 H SER A 22 -13.898 -0.345 -12.199 1.00 0.00 H new ATOM 0 HA SER A 22 -13.859 1.634 -14.461 1.00 0.00 H new ATOM 0 HB2 SER A 22 -15.866 0.285 -14.702 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.197 0.348 -12.983 1.00 0.00 H new ATOM 0 HG SER A 22 -17.458 1.902 -14.178 1.00 0.00 H new ATOM 346 N GLU A 23 -14.619 3.534 -12.764 1.00 0.00 N ATOM 347 CA GLU A 23 -14.562 4.617 -11.743 1.00 0.00 C ATOM 348 C GLU A 23 -15.790 4.527 -10.836 1.00 0.00 C ATOM 349 O GLU A 23 -15.744 4.888 -9.676 1.00 0.00 O ATOM 350 CB GLU A 23 -14.543 5.977 -12.443 1.00 0.00 C ATOM 351 CG GLU A 23 -13.794 6.989 -11.575 1.00 0.00 C ATOM 352 CD GLU A 23 -14.517 8.336 -11.620 1.00 0.00 C ATOM 353 OE1 GLU A 23 -15.257 8.558 -12.564 1.00 0.00 O ATOM 354 OE2 GLU A 23 -14.318 9.124 -10.710 1.00 0.00 O ATOM 0 H GLU A 23 -14.969 3.818 -13.679 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.659 4.505 -11.144 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.060 5.890 -13.416 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -15.562 6.320 -12.622 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.736 6.630 -10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.770 7.102 -11.931 1.00 0.00 H new ATOM 361 N GLU A 24 -16.888 4.048 -11.352 1.00 0.00 N ATOM 362 CA GLU A 24 -18.117 3.935 -10.517 1.00 0.00 C ATOM 363 C GLU A 24 -17.816 3.090 -9.278 1.00 0.00 C ATOM 364 O GLU A 24 -18.145 3.459 -8.169 1.00 0.00 O ATOM 365 CB GLU A 24 -19.227 3.268 -11.332 1.00 0.00 C ATOM 366 CG GLU A 24 -20.589 3.745 -10.825 1.00 0.00 C ATOM 367 CD GLU A 24 -21.687 3.259 -11.773 1.00 0.00 C ATOM 368 OE1 GLU A 24 -21.542 2.171 -12.306 1.00 0.00 O ATOM 369 OE2 GLU A 24 -22.653 3.983 -11.952 1.00 0.00 O ATOM 0 H GLU A 24 -16.987 3.730 -12.316 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.440 4.929 -10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.114 3.512 -12.388 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.154 2.184 -11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -20.768 3.365 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.604 4.833 -10.762 1.00 0.00 H new ATOM 376 N LEU A 25 -17.192 1.958 -9.458 1.00 0.00 N ATOM 377 CA LEU A 25 -16.872 1.090 -8.290 1.00 0.00 C ATOM 378 C LEU A 25 -15.814 1.774 -7.422 1.00 0.00 C ATOM 379 O LEU A 25 -15.945 1.858 -6.217 1.00 0.00 O ATOM 380 CB LEU A 25 -16.333 -0.254 -8.786 1.00 0.00 C ATOM 381 CG LEU A 25 -17.393 -0.943 -9.647 1.00 0.00 C ATOM 382 CD1 LEU A 25 -16.707 -1.839 -10.680 1.00 0.00 C ATOM 383 CD2 LEU A 25 -18.298 -1.794 -8.755 1.00 0.00 C ATOM 0 H LEU A 25 -16.890 1.597 -10.363 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.774 0.925 -7.701 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.422 -0.101 -9.365 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -16.070 -0.887 -7.939 1.00 0.00 H new ATOM 0 HG LEU A 25 -17.991 -0.190 -10.160 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.462 -2.330 -11.294 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.061 -1.233 -11.315 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.109 -2.593 -10.168 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.054 -2.286 -9.367 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -17.700 -2.547 -8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.786 -1.156 -8.018 1.00 0.00 H new ATOM 395 N VAL A 26 -14.764 2.263 -8.025 1.00 0.00 N ATOM 396 CA VAL A 26 -13.699 2.941 -7.234 1.00 0.00 C ATOM 397 C VAL A 26 -14.332 3.981 -6.308 1.00 0.00 C ATOM 398 O VAL A 26 -13.970 4.101 -5.154 1.00 0.00 O ATOM 399 CB VAL A 26 -12.721 3.633 -8.185 1.00 0.00 C ATOM 400 CG1 VAL A 26 -11.672 4.396 -7.374 1.00 0.00 C ATOM 401 CG2 VAL A 26 -12.026 2.583 -9.053 1.00 0.00 C ATOM 0 H VAL A 26 -14.598 2.222 -9.031 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.165 2.202 -6.637 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.266 4.330 -8.821 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.975 4.889 -8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.165 5.144 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.127 3.699 -6.737 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.329 3.075 -9.731 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.482 1.886 -8.415 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.772 2.038 -9.632 1.00 0.00 H new ATOM 411 N ASP A 27 -15.276 4.734 -6.804 1.00 0.00 N ATOM 412 CA ASP A 27 -15.931 5.765 -5.951 1.00 0.00 C ATOM 413 C ASP A 27 -16.804 5.078 -4.899 1.00 0.00 C ATOM 414 O ASP A 27 -17.073 5.625 -3.847 1.00 0.00 O ATOM 415 CB ASP A 27 -16.802 6.671 -6.823 1.00 0.00 C ATOM 416 CG ASP A 27 -16.604 8.129 -6.403 1.00 0.00 C ATOM 417 OD1 ASP A 27 -15.509 8.634 -6.587 1.00 0.00 O ATOM 418 OD2 ASP A 27 -17.552 8.714 -5.905 1.00 0.00 O ATOM 0 H ASP A 27 -15.621 4.680 -7.762 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.167 6.364 -5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.538 6.545 -7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.851 6.392 -6.722 1.00 0.00 H new ATOM 423 N GLU A 28 -17.251 3.882 -5.172 1.00 0.00 N ATOM 424 CA GLU A 28 -18.106 3.162 -4.188 1.00 0.00 C ATOM 425 C GLU A 28 -17.236 2.638 -3.044 1.00 0.00 C ATOM 426 O GLU A 28 -17.561 2.792 -1.883 1.00 0.00 O ATOM 427 CB GLU A 28 -18.802 1.989 -4.879 1.00 0.00 C ATOM 428 CG GLU A 28 -20.013 2.502 -5.662 1.00 0.00 C ATOM 429 CD GLU A 28 -21.299 2.061 -4.960 1.00 0.00 C ATOM 430 OE1 GLU A 28 -21.619 0.886 -5.035 1.00 0.00 O ATOM 431 OE2 GLU A 28 -21.942 2.907 -4.360 1.00 0.00 O ATOM 0 H GLU A 28 -17.060 3.373 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.856 3.845 -3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.108 1.486 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -19.119 1.254 -4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -19.979 3.589 -5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -19.991 2.115 -6.681 1.00 0.00 H new ATOM 438 N TYR A 29 -16.132 2.017 -3.360 1.00 0.00 N ATOM 439 CA TYR A 29 -15.244 1.484 -2.290 1.00 0.00 C ATOM 440 C TYR A 29 -14.820 2.625 -1.364 1.00 0.00 C ATOM 441 O TYR A 29 -14.924 2.529 -0.157 1.00 0.00 O ATOM 442 CB TYR A 29 -14.003 0.854 -2.925 1.00 0.00 C ATOM 443 CG TYR A 29 -13.202 0.139 -1.862 1.00 0.00 C ATOM 444 CD1 TYR A 29 -13.666 -1.071 -1.332 1.00 0.00 C ATOM 445 CD2 TYR A 29 -11.997 0.686 -1.407 1.00 0.00 C ATOM 446 CE1 TYR A 29 -12.924 -1.734 -0.347 1.00 0.00 C ATOM 447 CE2 TYR A 29 -11.254 0.024 -0.422 1.00 0.00 C ATOM 448 CZ TYR A 29 -11.719 -1.186 0.109 1.00 0.00 C ATOM 449 OH TYR A 29 -10.988 -1.840 1.080 1.00 0.00 O ATOM 0 H TYR A 29 -15.807 1.856 -4.313 1.00 0.00 H new ATOM 0 HA TYR A 29 -15.780 0.730 -1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -14.297 0.154 -3.707 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.393 1.623 -3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -14.596 -1.493 -1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.640 1.620 -1.816 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.281 -2.668 0.061 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.323 0.446 -0.072 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.179 -1.326 1.282 1.00 0.00 H new ATOM 459 N LEU A 30 -14.342 3.706 -1.918 1.00 0.00 N ATOM 460 CA LEU A 30 -13.913 4.852 -1.069 1.00 0.00 C ATOM 461 C LEU A 30 -14.954 5.094 0.025 1.00 0.00 C ATOM 462 O LEU A 30 -14.632 5.504 1.123 1.00 0.00 O ATOM 463 CB LEU A 30 -13.780 6.107 -1.934 1.00 0.00 C ATOM 464 CG LEU A 30 -12.594 5.948 -2.887 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.494 7.181 -3.787 1.00 0.00 C ATOM 466 CD2 LEU A 30 -11.305 5.806 -2.074 1.00 0.00 C ATOM 0 H LEU A 30 -14.230 3.844 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.951 4.624 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.697 6.269 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.637 6.983 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.738 5.060 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.649 7.068 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.412 7.285 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.349 8.069 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.458 5.693 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.162 6.695 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.375 4.929 -1.431 1.00 0.00 H new ATOM 478 N LYS A 31 -16.201 4.844 -0.264 1.00 0.00 N ATOM 479 CA LYS A 31 -17.262 5.060 0.759 1.00 0.00 C ATOM 480 C LYS A 31 -17.480 3.768 1.548 1.00 0.00 C ATOM 481 O LYS A 31 -18.416 3.648 2.313 1.00 0.00 O ATOM 482 CB LYS A 31 -18.567 5.461 0.066 1.00 0.00 C ATOM 483 CG LYS A 31 -18.766 6.973 0.186 1.00 0.00 C ATOM 484 CD LYS A 31 -17.563 7.698 -0.419 1.00 0.00 C ATOM 485 CE LYS A 31 -17.964 9.123 -0.801 1.00 0.00 C ATOM 486 NZ LYS A 31 -18.210 9.919 0.435 1.00 0.00 N ATOM 0 H LYS A 31 -16.531 4.499 -1.165 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.954 5.854 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.538 5.170 -0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.408 4.936 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -19.680 7.272 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.883 7.253 1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -16.741 7.720 0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.206 7.161 -1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.176 9.587 -1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.861 9.106 -1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.366 10.915 0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.051 9.550 0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.385 9.848 1.064 1.00 0.00 H new ATOM 500 N ASN A 32 -16.623 2.801 1.370 1.00 0.00 N ATOM 501 CA ASN A 32 -16.782 1.518 2.110 1.00 0.00 C ATOM 502 C ASN A 32 -15.456 0.755 2.102 1.00 0.00 C ATOM 503 O ASN A 32 -15.361 -0.336 1.577 1.00 0.00 O ATOM 504 CB ASN A 32 -17.863 0.669 1.435 1.00 0.00 C ATOM 505 CG ASN A 32 -19.242 1.240 1.768 1.00 0.00 C ATOM 506 OD1 ASN A 32 -19.811 0.926 2.795 1.00 0.00 O ATOM 507 ND2 ASN A 32 -19.809 2.072 0.937 1.00 0.00 N ATOM 0 H ASN A 32 -15.819 2.844 0.744 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.074 1.727 3.139 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.712 0.660 0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.794 -0.364 1.775 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -20.729 2.458 1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.332 2.336 0.075 1.00 0.00 H new ATOM 514 N PRO A 33 -14.441 1.332 2.684 1.00 0.00 N ATOM 515 CA PRO A 33 -13.088 0.708 2.755 1.00 0.00 C ATOM 516 C PRO A 33 -13.041 -0.460 3.744 1.00 0.00 C ATOM 517 O PRO A 33 -13.181 -0.282 4.938 1.00 0.00 O ATOM 518 CB PRO A 33 -12.185 1.848 3.231 1.00 0.00 C ATOM 519 CG PRO A 33 -13.084 2.789 3.963 1.00 0.00 C ATOM 520 CD PRO A 33 -14.474 2.648 3.339 1.00 0.00 C ATOM 0 HA PRO A 33 -12.786 0.286 1.796 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.393 1.476 3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.701 2.343 2.389 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.111 2.549 5.026 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.724 3.814 3.876 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -15.257 2.697 4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.672 3.445 2.622 1.00 0.00 H new ATOM 528 N SER A 34 -12.845 -1.655 3.256 1.00 0.00 N ATOM 529 CA SER A 34 -12.788 -2.831 4.168 1.00 0.00 C ATOM 530 C SER A 34 -12.380 -4.074 3.374 1.00 0.00 C ATOM 531 O SER A 34 -12.824 -5.171 3.648 1.00 0.00 O ATOM 532 CB SER A 34 -14.166 -3.057 4.795 1.00 0.00 C ATOM 533 OG SER A 34 -14.757 -4.217 4.222 1.00 0.00 O ATOM 0 H SER A 34 -12.722 -1.867 2.266 1.00 0.00 H new ATOM 0 HA SER A 34 -12.056 -2.646 4.954 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.072 -3.178 5.874 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.803 -2.189 4.625 1.00 0.00 H new ATOM 0 HG SER A 34 -14.201 -4.999 4.420 1.00 0.00 H new ATOM 539 N ILE A 35 -11.538 -3.910 2.390 1.00 0.00 N ATOM 540 CA ILE A 35 -11.103 -5.083 1.580 1.00 0.00 C ATOM 541 C ILE A 35 -12.333 -5.854 1.100 1.00 0.00 C ATOM 542 O ILE A 35 -13.458 -5.463 1.342 1.00 0.00 O ATOM 543 CB ILE A 35 -10.229 -6.000 2.439 1.00 0.00 C ATOM 544 CG1 ILE A 35 -9.148 -5.168 3.133 1.00 0.00 C ATOM 545 CG2 ILE A 35 -9.566 -7.053 1.549 1.00 0.00 C ATOM 546 CD1 ILE A 35 -8.356 -4.383 2.087 1.00 0.00 C ATOM 0 H ILE A 35 -11.133 -3.016 2.112 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.531 -4.738 0.719 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.847 -6.494 3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.605 -4.483 3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.480 -5.819 3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.943 -7.706 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.334 -7.645 1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.947 -6.559 0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.586 -3.791 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.887 -5.077 1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.029 -3.721 1.543 1.00 0.00 H new ATOM 558 N GLY A 36 -12.131 -6.950 0.419 1.00 0.00 N ATOM 559 CA GLY A 36 -13.290 -7.745 -0.076 1.00 0.00 C ATOM 560 C GLY A 36 -13.729 -7.212 -1.441 1.00 0.00 C ATOM 561 O GLY A 36 -13.479 -7.818 -2.464 1.00 0.00 O ATOM 0 H GLY A 36 -11.213 -7.328 0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.016 -8.797 -0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.116 -7.684 0.633 1.00 0.00 H new ATOM 565 N LYS A 37 -14.384 -6.082 -1.465 1.00 0.00 N ATOM 566 CA LYS A 37 -14.838 -5.514 -2.765 1.00 0.00 C ATOM 567 C LYS A 37 -13.621 -5.084 -3.586 1.00 0.00 C ATOM 568 O LYS A 37 -13.728 -4.774 -4.756 1.00 0.00 O ATOM 569 CB LYS A 37 -15.732 -4.300 -2.505 1.00 0.00 C ATOM 570 CG LYS A 37 -16.010 -3.577 -3.825 1.00 0.00 C ATOM 571 CD LYS A 37 -17.400 -2.938 -3.775 1.00 0.00 C ATOM 572 CE LYS A 37 -17.724 -2.314 -5.134 1.00 0.00 C ATOM 573 NZ LYS A 37 -19.201 -2.281 -5.325 1.00 0.00 N ATOM 0 H LYS A 37 -14.623 -5.530 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.400 -6.269 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.669 -4.617 -2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.247 -3.622 -1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.253 -2.813 -4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.951 -4.280 -4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.148 -3.689 -3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.434 -2.177 -2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.317 -1.304 -5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.256 -2.891 -5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.447 -1.532 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.524 -3.199 -5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.665 -2.089 -4.414 1.00 0.00 H new ATOM 587 N LEU A 38 -12.464 -5.062 -2.983 1.00 0.00 N ATOM 588 CA LEU A 38 -11.241 -4.653 -3.729 1.00 0.00 C ATOM 589 C LEU A 38 -11.035 -5.589 -4.921 1.00 0.00 C ATOM 590 O LEU A 38 -10.918 -5.155 -6.051 1.00 0.00 O ATOM 591 CB LEU A 38 -10.027 -4.732 -2.802 1.00 0.00 C ATOM 592 CG LEU A 38 -9.075 -3.575 -3.104 1.00 0.00 C ATOM 593 CD1 LEU A 38 -9.509 -2.337 -2.317 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.653 -3.964 -2.696 1.00 0.00 C ATOM 0 H LEU A 38 -12.313 -5.310 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.358 -3.630 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.348 -4.690 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.514 -5.684 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.100 -3.355 -4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.830 -1.512 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.522 -2.058 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.485 -2.557 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.974 -3.139 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.628 -4.185 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.342 -4.846 -3.257 1.00 0.00 H new ATOM 606 N SER A 39 -10.988 -6.870 -4.680 1.00 0.00 N ATOM 607 CA SER A 39 -10.788 -7.832 -5.800 1.00 0.00 C ATOM 608 C SER A 39 -11.658 -7.422 -6.989 1.00 0.00 C ATOM 609 O SER A 39 -11.259 -7.534 -8.130 1.00 0.00 O ATOM 610 CB SER A 39 -11.182 -9.237 -5.341 1.00 0.00 C ATOM 611 OG SER A 39 -10.334 -9.637 -4.272 1.00 0.00 O ATOM 0 H SER A 39 -11.079 -7.292 -3.756 1.00 0.00 H new ATOM 0 HA SER A 39 -9.740 -7.827 -6.099 1.00 0.00 H new ATOM 0 HB2 SER A 39 -12.223 -9.248 -5.018 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.098 -9.940 -6.170 1.00 0.00 H new ATOM 0 HG SER A 39 -10.585 -10.536 -3.974 1.00 0.00 H new ATOM 617 N GLU A 40 -12.846 -6.947 -6.730 1.00 0.00 N ATOM 618 CA GLU A 40 -13.741 -6.530 -7.847 1.00 0.00 C ATOM 619 C GLU A 40 -13.189 -5.261 -8.498 1.00 0.00 C ATOM 620 O GLU A 40 -13.282 -5.076 -9.695 1.00 0.00 O ATOM 621 CB GLU A 40 -15.144 -6.254 -7.300 1.00 0.00 C ATOM 622 CG GLU A 40 -15.838 -7.579 -6.979 1.00 0.00 C ATOM 623 CD GLU A 40 -14.847 -8.522 -6.294 1.00 0.00 C ATOM 624 OE1 GLU A 40 -14.425 -8.209 -5.193 1.00 0.00 O ATOM 625 OE2 GLU A 40 -14.528 -9.542 -6.884 1.00 0.00 O ATOM 0 H GLU A 40 -13.235 -6.830 -5.794 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.790 -7.326 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.081 -5.638 -6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.727 -5.694 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.697 -7.404 -6.331 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.216 -8.034 -7.894 1.00 0.00 H new ATOM 632 N VAL A 41 -12.616 -4.385 -7.720 1.00 0.00 N ATOM 633 CA VAL A 41 -12.058 -3.128 -8.297 1.00 0.00 C ATOM 634 C VAL A 41 -10.794 -3.448 -9.096 1.00 0.00 C ATOM 635 O VAL A 41 -10.681 -3.112 -10.258 1.00 0.00 O ATOM 636 CB VAL A 41 -11.714 -2.158 -7.166 1.00 0.00 C ATOM 637 CG1 VAL A 41 -10.854 -1.018 -7.715 1.00 0.00 C ATOM 638 CG2 VAL A 41 -13.005 -1.584 -6.578 1.00 0.00 C ATOM 0 H VAL A 41 -12.510 -4.484 -6.710 1.00 0.00 H new ATOM 0 HA VAL A 41 -12.797 -2.672 -8.956 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.163 -2.687 -6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.609 -0.327 -6.909 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.935 -1.426 -8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.405 -0.488 -8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -12.761 -0.892 -5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -13.555 -1.055 -7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.619 -2.395 -6.187 1.00 0.00 H new ATOM 648 N VAL A 42 -9.841 -4.096 -8.483 1.00 0.00 N ATOM 649 CA VAL A 42 -8.585 -4.435 -9.209 1.00 0.00 C ATOM 650 C VAL A 42 -8.642 -5.890 -9.679 1.00 0.00 C ATOM 651 O VAL A 42 -8.732 -6.805 -8.885 1.00 0.00 O ATOM 652 CB VAL A 42 -7.389 -4.249 -8.273 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.091 -4.469 -9.053 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.405 -2.829 -7.702 1.00 0.00 C ATOM 0 H VAL A 42 -9.878 -4.405 -7.512 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.477 -3.779 -10.073 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.450 -4.970 -7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.239 -4.336 -8.386 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.079 -5.480 -9.461 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.030 -3.748 -9.868 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.553 -2.695 -7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.344 -2.108 -8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.329 -2.671 -7.146 1.00 0.00 H new ATOM 664 N GLU A 43 -8.589 -6.111 -10.964 1.00 0.00 N ATOM 665 CA GLU A 43 -8.640 -7.506 -11.483 1.00 0.00 C ATOM 666 C GLU A 43 -7.228 -8.094 -11.497 1.00 0.00 C ATOM 667 O GLU A 43 -7.042 -9.292 -11.416 1.00 0.00 O ATOM 668 CB GLU A 43 -9.205 -7.503 -12.905 1.00 0.00 C ATOM 669 CG GLU A 43 -10.223 -6.369 -13.048 1.00 0.00 C ATOM 670 CD GLU A 43 -11.006 -6.548 -14.350 1.00 0.00 C ATOM 671 OE1 GLU A 43 -11.236 -7.684 -14.729 1.00 0.00 O ATOM 672 OE2 GLU A 43 -11.363 -5.544 -14.945 1.00 0.00 O ATOM 0 H GLU A 43 -8.513 -5.385 -11.677 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.281 -8.110 -10.840 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.399 -7.376 -13.628 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.679 -8.461 -13.121 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.905 -6.369 -12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.713 -5.406 -13.047 1.00 0.00 H new ATOM 679 N LEU A 44 -6.228 -7.260 -11.599 1.00 0.00 N ATOM 680 CA LEU A 44 -4.829 -7.771 -11.619 1.00 0.00 C ATOM 681 C LEU A 44 -4.018 -7.074 -10.525 1.00 0.00 C ATOM 682 O LEU A 44 -3.936 -5.862 -10.476 1.00 0.00 O ATOM 683 CB LEU A 44 -4.199 -7.483 -12.984 1.00 0.00 C ATOM 684 CG LEU A 44 -3.546 -8.756 -13.524 1.00 0.00 C ATOM 685 CD1 LEU A 44 -4.631 -9.758 -13.924 1.00 0.00 C ATOM 686 CD2 LEU A 44 -2.695 -8.411 -14.748 1.00 0.00 C ATOM 0 H LEU A 44 -6.321 -6.247 -11.669 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.832 -8.846 -11.441 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.960 -7.129 -13.680 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.456 -6.691 -12.893 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.914 -9.195 -12.752 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.165 -10.665 -14.309 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.238 -10.004 -13.053 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.264 -9.320 -14.696 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.229 -9.317 -15.134 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.328 -7.972 -15.519 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.921 -7.698 -14.464 1.00 0.00 H new ATOM 698 N PHE A 45 -3.417 -7.829 -9.646 1.00 0.00 N ATOM 699 CA PHE A 45 -2.613 -7.208 -8.556 1.00 0.00 C ATOM 700 C PHE A 45 -1.162 -7.051 -9.018 1.00 0.00 C ATOM 701 O PHE A 45 -0.371 -7.969 -8.932 1.00 0.00 O ATOM 702 CB PHE A 45 -2.659 -8.103 -7.315 1.00 0.00 C ATOM 703 CG PHE A 45 -4.034 -8.032 -6.696 1.00 0.00 C ATOM 704 CD1 PHE A 45 -4.418 -6.897 -5.971 1.00 0.00 C ATOM 705 CD2 PHE A 45 -4.924 -9.101 -6.844 1.00 0.00 C ATOM 706 CE1 PHE A 45 -5.693 -6.831 -5.396 1.00 0.00 C ATOM 707 CE2 PHE A 45 -6.200 -9.036 -6.269 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.583 -7.901 -5.546 1.00 0.00 C ATOM 0 H PHE A 45 -3.448 -8.848 -9.636 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.025 -6.229 -8.313 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.423 -9.132 -7.586 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.907 -7.783 -6.594 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.730 -6.072 -5.855 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.627 -9.977 -7.402 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.989 -5.956 -4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.887 -9.861 -6.384 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.567 -7.850 -5.103 1.00 0.00 H new ATOM 718 N GLU A 46 -0.807 -5.895 -9.508 1.00 0.00 N ATOM 719 CA GLU A 46 0.591 -5.679 -9.974 1.00 0.00 C ATOM 720 C GLU A 46 0.823 -4.186 -10.212 1.00 0.00 C ATOM 721 O GLU A 46 -0.032 -3.488 -10.721 1.00 0.00 O ATOM 722 CB GLU A 46 0.818 -6.445 -11.279 1.00 0.00 C ATOM 723 CG GLU A 46 2.225 -7.046 -11.280 1.00 0.00 C ATOM 724 CD GLU A 46 3.254 -5.938 -11.047 1.00 0.00 C ATOM 725 OE1 GLU A 46 3.509 -5.188 -11.974 1.00 0.00 O ATOM 726 OE2 GLU A 46 3.770 -5.859 -9.944 1.00 0.00 O ATOM 0 H GLU A 46 -1.426 -5.090 -9.606 1.00 0.00 H new ATOM 0 HA GLU A 46 1.287 -6.039 -9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.074 -7.234 -11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.696 -5.777 -12.131 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.309 -7.804 -10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.419 -7.543 -12.231 1.00 0.00 H new ATOM 733 N VAL A 47 1.974 -3.690 -9.847 1.00 0.00 N ATOM 734 CA VAL A 47 2.258 -2.241 -10.053 1.00 0.00 C ATOM 735 C VAL A 47 3.291 -2.076 -11.170 1.00 0.00 C ATOM 736 O VAL A 47 4.228 -2.842 -11.281 1.00 0.00 O ATOM 737 CB VAL A 47 2.809 -1.641 -8.758 1.00 0.00 C ATOM 738 CG1 VAL A 47 3.336 -0.232 -9.030 1.00 0.00 C ATOM 739 CG2 VAL A 47 1.693 -1.575 -7.713 1.00 0.00 C ATOM 0 H VAL A 47 2.729 -4.224 -9.416 1.00 0.00 H new ATOM 0 HA VAL A 47 1.338 -1.727 -10.331 1.00 0.00 H new ATOM 0 HB VAL A 47 3.621 -2.265 -8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.728 0.194 -8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.131 -0.278 -9.775 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.525 0.394 -9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.084 -1.148 -6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.881 -0.951 -8.087 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.318 -2.580 -7.518 1.00 0.00 H new ATOM 749 N PHE A 48 3.128 -1.080 -11.998 1.00 0.00 N ATOM 750 CA PHE A 48 4.101 -0.866 -13.106 1.00 0.00 C ATOM 751 C PHE A 48 4.580 0.587 -13.087 1.00 0.00 C ATOM 752 O PHE A 48 4.156 1.379 -12.270 1.00 0.00 O ATOM 753 CB PHE A 48 3.423 -1.161 -14.446 1.00 0.00 C ATOM 754 CG PHE A 48 2.337 -2.190 -14.245 1.00 0.00 C ATOM 755 CD1 PHE A 48 1.068 -1.793 -13.808 1.00 0.00 C ATOM 756 CD2 PHE A 48 2.598 -3.543 -14.498 1.00 0.00 C ATOM 757 CE1 PHE A 48 0.060 -2.747 -13.622 1.00 0.00 C ATOM 758 CE2 PHE A 48 1.591 -4.497 -14.313 1.00 0.00 C ATOM 759 CZ PHE A 48 0.322 -4.099 -13.874 1.00 0.00 C ATOM 0 H PHE A 48 2.364 -0.406 -11.955 1.00 0.00 H new ATOM 0 HA PHE A 48 4.953 -1.533 -12.976 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.000 -0.246 -14.861 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.157 -1.527 -15.164 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.866 -0.750 -13.614 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.577 -3.850 -14.836 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.919 -2.440 -13.284 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.792 -5.540 -14.509 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.455 -4.835 -13.730 1.00 0.00 H new ATOM 769 N THR A 49 5.460 0.944 -13.982 1.00 0.00 N ATOM 770 CA THR A 49 5.964 2.346 -14.013 1.00 0.00 C ATOM 771 C THR A 49 6.310 2.732 -15.453 1.00 0.00 C ATOM 772 O THR A 49 6.704 1.902 -16.249 1.00 0.00 O ATOM 773 CB THR A 49 7.215 2.457 -13.140 1.00 0.00 C ATOM 774 OG1 THR A 49 7.959 3.604 -13.526 1.00 0.00 O ATOM 775 CG2 THR A 49 8.076 1.205 -13.315 1.00 0.00 C ATOM 0 H THR A 49 5.851 0.326 -14.693 1.00 0.00 H new ATOM 0 HA THR A 49 5.195 3.018 -13.632 1.00 0.00 H new ATOM 0 HB THR A 49 6.921 2.548 -12.094 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.760 3.678 -12.966 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.967 1.286 -12.692 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.504 0.326 -13.018 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.371 1.110 -14.360 1.00 0.00 H new ATOM 783 N PRO A 50 6.164 3.988 -15.781 1.00 0.00 N ATOM 784 CA PRO A 50 6.464 4.505 -17.148 1.00 0.00 C ATOM 785 C PRO A 50 7.968 4.554 -17.429 1.00 0.00 C ATOM 786 O PRO A 50 8.748 5.001 -16.612 1.00 0.00 O ATOM 787 CB PRO A 50 5.875 5.917 -17.141 1.00 0.00 C ATOM 788 CG PRO A 50 5.851 6.331 -15.707 1.00 0.00 C ATOM 789 CD PRO A 50 5.693 5.052 -14.883 1.00 0.00 C ATOM 0 HA PRO A 50 6.046 3.864 -17.925 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.482 6.599 -17.736 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.873 5.926 -17.569 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.770 6.853 -15.439 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.027 7.019 -15.516 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.283 5.092 -13.968 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.656 4.894 -14.587 1.00 0.00 H new ATOM 911 N LEU A 60 4.534 -1.764 -21.071 1.00 0.00 N ATOM 912 CA LEU A 60 5.032 -1.072 -19.850 1.00 0.00 C ATOM 913 C LEU A 60 6.029 -1.976 -19.122 1.00 0.00 C ATOM 914 O LEU A 60 6.069 -3.172 -19.335 1.00 0.00 O ATOM 915 CB LEU A 60 3.854 -0.763 -18.923 1.00 0.00 C ATOM 916 CG LEU A 60 2.770 -0.020 -19.706 1.00 0.00 C ATOM 917 CD1 LEU A 60 1.490 0.043 -18.872 1.00 0.00 C ATOM 918 CD2 LEU A 60 3.249 1.401 -20.013 1.00 0.00 C ATOM 0 HA LEU A 60 5.525 -0.142 -20.135 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.450 -1.687 -18.510 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.189 -0.157 -18.081 1.00 0.00 H new ATOM 0 HG LEU A 60 2.569 -0.547 -20.639 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.718 0.572 -19.430 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.149 -0.969 -18.652 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.689 0.570 -17.939 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.478 1.932 -20.571 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.449 1.927 -19.080 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.162 1.357 -20.607 1.00 0.00 H new ATOM 930 N GLY A 61 6.837 -1.414 -18.263 1.00 0.00 N ATOM 931 CA GLY A 61 7.830 -2.242 -17.523 1.00 0.00 C ATOM 932 C GLY A 61 7.381 -2.403 -16.070 1.00 0.00 C ATOM 933 O GLY A 61 7.088 -1.439 -15.390 1.00 0.00 O ATOM 0 H GLY A 61 6.852 -0.418 -18.043 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.927 -3.220 -17.995 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.812 -1.771 -17.561 1.00 0.00 H new ATOM 937 N ALA A 62 7.325 -3.614 -15.587 1.00 0.00 N ATOM 938 CA ALA A 62 6.894 -3.835 -14.178 1.00 0.00 C ATOM 939 C ALA A 62 7.840 -3.090 -13.233 1.00 0.00 C ATOM 940 O ALA A 62 8.884 -2.614 -13.634 1.00 0.00 O ATOM 941 CB ALA A 62 6.930 -5.332 -13.861 1.00 0.00 C ATOM 0 H ALA A 62 7.559 -4.460 -16.107 1.00 0.00 H new ATOM 0 HA ALA A 62 5.879 -3.461 -14.046 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.615 -5.493 -12.830 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.256 -5.863 -14.534 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.945 -5.708 -13.993 1.00 0.00 H new ATOM 947 N ALA A 63 7.485 -2.986 -11.982 1.00 0.00 N ATOM 948 CA ALA A 63 8.365 -2.272 -11.014 1.00 0.00 C ATOM 949 C ALA A 63 8.887 -3.264 -9.974 1.00 0.00 C ATOM 950 O ALA A 63 8.456 -4.398 -9.910 1.00 0.00 O ATOM 951 CB ALA A 63 7.565 -1.172 -10.313 1.00 0.00 C ATOM 0 H ALA A 63 6.624 -3.365 -11.588 1.00 0.00 H new ATOM 0 HA ALA A 63 9.206 -1.827 -11.546 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.208 -0.649 -9.605 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.192 -0.465 -11.054 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.725 -1.617 -9.780 1.00 0.00 H new ATOM 957 N SER A 64 9.816 -2.847 -9.157 1.00 0.00 N ATOM 958 CA SER A 64 10.366 -3.768 -8.122 1.00 0.00 C ATOM 959 C SER A 64 9.699 -3.478 -6.775 1.00 0.00 C ATOM 960 O SER A 64 9.579 -2.341 -6.363 1.00 0.00 O ATOM 961 CB SER A 64 11.875 -3.553 -8.000 1.00 0.00 C ATOM 962 OG SER A 64 12.309 -3.992 -6.719 1.00 0.00 O ATOM 0 H SER A 64 10.217 -1.909 -9.162 1.00 0.00 H new ATOM 0 HA SER A 64 10.168 -4.800 -8.411 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.397 -4.104 -8.782 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.116 -2.499 -8.137 1.00 0.00 H new ATOM 0 HG SER A 64 13.276 -3.857 -6.637 1.00 0.00 H new ATOM 968 N LYS A 65 9.263 -4.497 -6.087 1.00 0.00 N ATOM 969 CA LYS A 65 8.604 -4.280 -4.768 1.00 0.00 C ATOM 970 C LYS A 65 9.440 -3.305 -3.935 1.00 0.00 C ATOM 971 O LYS A 65 8.920 -2.560 -3.127 1.00 0.00 O ATOM 972 CB LYS A 65 8.490 -5.614 -4.029 1.00 0.00 C ATOM 973 CG LYS A 65 7.351 -5.537 -3.011 1.00 0.00 C ATOM 974 CD LYS A 65 7.736 -6.319 -1.753 1.00 0.00 C ATOM 975 CE LYS A 65 6.474 -6.655 -0.955 1.00 0.00 C ATOM 976 NZ LYS A 65 5.893 -7.932 -1.459 1.00 0.00 N ATOM 0 H LYS A 65 9.335 -5.471 -6.381 1.00 0.00 H new ATOM 0 HA LYS A 65 7.608 -3.865 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.304 -6.420 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.428 -5.844 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.146 -4.497 -2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.437 -5.946 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.260 -7.234 -2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.420 -5.731 -1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.714 -6.745 0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.746 -5.849 -1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.035 -8.161 -0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.650 -7.830 -2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.588 -8.698 -1.347 1.00 0.00 H new ATOM 990 N ALA A 66 10.731 -3.303 -4.126 1.00 0.00 N ATOM 991 CA ALA A 66 11.597 -2.376 -3.345 1.00 0.00 C ATOM 992 C ALA A 66 11.413 -0.949 -3.862 1.00 0.00 C ATOM 993 O ALA A 66 11.512 0.009 -3.120 1.00 0.00 O ATOM 994 CB ALA A 66 13.062 -2.791 -3.503 1.00 0.00 C ATOM 0 H ALA A 66 11.223 -3.903 -4.789 1.00 0.00 H new ATOM 0 HA ALA A 66 11.319 -2.420 -2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.696 -2.113 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.194 -3.808 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.341 -2.748 -4.556 1.00 0.00 H new ATOM 1000 N GLN A 67 11.148 -0.796 -5.131 1.00 0.00 N ATOM 1001 CA GLN A 67 10.958 0.570 -5.694 1.00 0.00 C ATOM 1002 C GLN A 67 9.647 1.159 -5.173 1.00 0.00 C ATOM 1003 O GLN A 67 9.496 2.359 -5.060 1.00 0.00 O ATOM 1004 CB GLN A 67 10.911 0.489 -7.222 1.00 0.00 C ATOM 1005 CG GLN A 67 12.324 0.647 -7.786 1.00 0.00 C ATOM 1006 CD GLN A 67 12.684 2.132 -7.855 1.00 0.00 C ATOM 1007 OE1 GLN A 67 11.833 2.965 -8.094 1.00 0.00 O ATOM 1008 NE2 GLN A 67 13.919 2.502 -7.653 1.00 0.00 N ATOM 0 H GLN A 67 11.055 -1.559 -5.802 1.00 0.00 H new ATOM 0 HA GLN A 67 11.788 1.208 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.489 -0.467 -7.533 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.261 1.269 -7.618 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.039 0.118 -7.157 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.382 0.201 -8.779 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.634 1.803 -7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.169 3.490 -7.696 1.00 0.00 H new ATOM 1017 N VAL A 68 8.695 0.324 -4.856 1.00 0.00 N ATOM 1018 CA VAL A 68 7.394 0.839 -4.343 1.00 0.00 C ATOM 1019 C VAL A 68 7.527 1.171 -2.855 1.00 0.00 C ATOM 1020 O VAL A 68 7.075 2.202 -2.397 1.00 0.00 O ATOM 1021 CB VAL A 68 6.314 -0.227 -4.532 1.00 0.00 C ATOM 1022 CG1 VAL A 68 4.933 0.424 -4.451 1.00 0.00 C ATOM 1023 CG2 VAL A 68 6.485 -0.887 -5.902 1.00 0.00 C ATOM 0 H VAL A 68 8.762 -0.691 -4.930 1.00 0.00 H new ATOM 0 HA VAL A 68 7.118 1.739 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 68 6.407 -0.980 -3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.164 -0.336 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.810 0.896 -3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.839 1.177 -5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.716 -1.647 -6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.392 -0.133 -6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.469 -1.352 -5.962 1.00 0.00 H new ATOM 1033 N GLU A 69 8.144 0.307 -2.097 1.00 0.00 N ATOM 1034 CA GLU A 69 8.306 0.575 -0.640 1.00 0.00 C ATOM 1035 C GLU A 69 9.039 1.902 -0.443 1.00 0.00 C ATOM 1036 O GLU A 69 8.721 2.673 0.440 1.00 0.00 O ATOM 1037 CB GLU A 69 9.116 -0.555 -0.001 1.00 0.00 C ATOM 1038 CG GLU A 69 8.337 -1.867 -0.110 1.00 0.00 C ATOM 1039 CD GLU A 69 9.302 -3.048 0.025 1.00 0.00 C ATOM 1040 OE1 GLU A 69 9.865 -3.207 1.095 1.00 0.00 O ATOM 1041 OE2 GLU A 69 9.462 -3.771 -0.945 1.00 0.00 O ATOM 0 H GLU A 69 8.543 -0.573 -2.423 1.00 0.00 H new ATOM 0 HA GLU A 69 7.324 0.630 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.081 -0.651 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.318 -0.325 1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.575 -1.916 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.818 -1.915 -1.067 1.00 0.00 H new ATOM 1048 N ASN A 70 10.020 2.176 -1.259 1.00 0.00 N ATOM 1049 CA ASN A 70 10.772 3.455 -1.119 1.00 0.00 C ATOM 1050 C ASN A 70 9.786 4.621 -1.032 1.00 0.00 C ATOM 1051 O ASN A 70 10.132 5.709 -0.616 1.00 0.00 O ATOM 1052 CB ASN A 70 11.684 3.645 -2.332 1.00 0.00 C ATOM 1053 CG ASN A 70 12.844 2.650 -2.262 1.00 0.00 C ATOM 1054 OD1 ASN A 70 13.715 2.656 -3.108 1.00 0.00 O ATOM 1055 ND2 ASN A 70 12.891 1.790 -1.282 1.00 0.00 N ATOM 0 H ASN A 70 10.333 1.569 -2.017 1.00 0.00 H new ATOM 0 HA ASN A 70 11.376 3.424 -0.212 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.119 3.496 -3.252 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.067 4.665 -2.355 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.660 1.122 -1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.159 1.786 -0.572 1.00 0.00 H new ATOM 1062 N GLU A 71 8.560 4.405 -1.423 1.00 0.00 N ATOM 1063 CA GLU A 71 7.555 5.504 -1.363 1.00 0.00 C ATOM 1064 C GLU A 71 6.704 5.351 -0.101 1.00 0.00 C ATOM 1065 O GLU A 71 6.556 6.274 0.675 1.00 0.00 O ATOM 1066 CB GLU A 71 6.653 5.437 -2.597 1.00 0.00 C ATOM 1067 CG GLU A 71 7.472 5.769 -3.847 1.00 0.00 C ATOM 1068 CD GLU A 71 6.553 6.363 -4.917 1.00 0.00 C ATOM 1069 OE1 GLU A 71 5.380 6.028 -4.914 1.00 0.00 O ATOM 1070 OE2 GLU A 71 7.039 7.141 -5.720 1.00 0.00 O ATOM 0 H GLU A 71 8.211 3.516 -1.781 1.00 0.00 H new ATOM 0 HA GLU A 71 8.069 6.465 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.217 4.442 -2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.826 6.139 -2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.263 6.476 -3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.956 4.869 -4.227 1.00 0.00 H new ATOM 1077 N PHE A 72 6.141 4.192 0.111 1.00 0.00 N ATOM 1078 CA PHE A 72 5.299 3.985 1.323 1.00 0.00 C ATOM 1079 C PHE A 72 6.132 3.311 2.414 1.00 0.00 C ATOM 1080 O PHE A 72 5.895 3.495 3.592 1.00 0.00 O ATOM 1081 CB PHE A 72 4.107 3.093 0.968 1.00 0.00 C ATOM 1082 CG PHE A 72 3.117 3.880 0.143 1.00 0.00 C ATOM 1083 CD1 PHE A 72 2.243 4.777 0.769 1.00 0.00 C ATOM 1084 CD2 PHE A 72 3.073 3.713 -1.246 1.00 0.00 C ATOM 1085 CE1 PHE A 72 1.325 5.508 0.005 1.00 0.00 C ATOM 1086 CE2 PHE A 72 2.155 4.444 -2.010 1.00 0.00 C ATOM 1087 CZ PHE A 72 1.281 5.341 -1.385 1.00 0.00 C ATOM 0 H PHE A 72 6.228 3.381 -0.502 1.00 0.00 H new ATOM 0 HA PHE A 72 4.939 4.948 1.684 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.446 2.219 0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.630 2.727 1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.277 4.905 1.841 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.747 3.021 -1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.651 6.200 0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.121 4.316 -3.082 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.573 5.904 -1.974 1.00 0.00 H new ATOM 1097 N GLY A 73 7.109 2.533 2.035 1.00 0.00 N ATOM 1098 CA GLY A 73 7.956 1.849 3.052 1.00 0.00 C ATOM 1099 C GLY A 73 7.571 0.371 3.128 1.00 0.00 C ATOM 1100 O GLY A 73 6.714 -0.095 2.406 1.00 0.00 O ATOM 0 H GLY A 73 7.357 2.342 1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.009 1.948 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.825 2.320 4.026 1.00 0.00 H new ATOM 1104 N LYS A 74 8.198 -0.371 4.000 1.00 0.00 N ATOM 1105 CA LYS A 74 7.867 -1.819 4.121 1.00 0.00 C ATOM 1106 C LYS A 74 6.771 -2.004 5.172 1.00 0.00 C ATOM 1107 O LYS A 74 6.025 -1.094 5.473 1.00 0.00 O ATOM 1108 CB LYS A 74 9.116 -2.595 4.544 1.00 0.00 C ATOM 1109 CG LYS A 74 10.362 -1.911 3.977 1.00 0.00 C ATOM 1110 CD LYS A 74 11.565 -2.849 4.102 1.00 0.00 C ATOM 1111 CE LYS A 74 12.714 -2.119 4.800 1.00 0.00 C ATOM 1112 NZ LYS A 74 13.279 -1.090 3.881 1.00 0.00 N ATOM 0 H LYS A 74 8.925 -0.037 4.633 1.00 0.00 H new ATOM 0 HA LYS A 74 7.516 -2.193 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.177 -2.641 5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.057 -3.622 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.201 -1.648 2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.555 -0.982 4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.288 -3.738 4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.881 -3.185 3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.357 -1.648 5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.489 -2.829 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.093 -0.628 4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.588 -1.545 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.551 -0.378 3.668 1.00 0.00 H new ATOM 1126 N GLY A 75 6.666 -3.178 5.732 1.00 0.00 N ATOM 1127 CA GLY A 75 5.619 -3.421 6.764 1.00 0.00 C ATOM 1128 C GLY A 75 4.247 -3.501 6.092 1.00 0.00 C ATOM 1129 O GLY A 75 3.258 -3.835 6.714 1.00 0.00 O ATOM 0 H GLY A 75 7.260 -3.979 5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.828 -4.348 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.628 -2.619 7.502 1.00 0.00 H new ATOM 1133 N LYS A 76 4.178 -3.196 4.825 1.00 0.00 N ATOM 1134 CA LYS A 76 2.870 -3.254 4.114 1.00 0.00 C ATOM 1135 C LYS A 76 2.964 -4.248 2.954 1.00 0.00 C ATOM 1136 O LYS A 76 4.039 -4.614 2.522 1.00 0.00 O ATOM 1137 CB LYS A 76 2.521 -1.867 3.571 1.00 0.00 C ATOM 1138 CG LYS A 76 2.406 -0.878 4.733 1.00 0.00 C ATOM 1139 CD LYS A 76 2.278 0.543 4.183 1.00 0.00 C ATOM 1140 CE LYS A 76 2.178 1.533 5.345 1.00 0.00 C ATOM 1141 NZ LYS A 76 3.481 1.586 6.066 1.00 0.00 N ATOM 0 H LYS A 76 4.971 -2.909 4.252 1.00 0.00 H new ATOM 0 HA LYS A 76 2.094 -3.577 4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.288 -1.535 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.582 -1.907 3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.539 -1.121 5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.283 -0.953 5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.140 0.782 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.395 0.621 3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.916 2.523 4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.384 1.230 6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.524 2.450 6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.571 0.753 6.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.259 1.592 5.376 1.00 0.00 H new ATOM 1155 N LYS A 77 1.845 -4.688 2.446 1.00 0.00 N ATOM 1156 CA LYS A 77 1.871 -5.657 1.315 1.00 0.00 C ATOM 1157 C LYS A 77 1.409 -4.959 0.035 1.00 0.00 C ATOM 1158 O LYS A 77 1.593 -3.771 -0.138 1.00 0.00 O ATOM 1159 CB LYS A 77 0.935 -6.828 1.625 1.00 0.00 C ATOM 1160 CG LYS A 77 1.274 -7.404 3.001 1.00 0.00 C ATOM 1161 CD LYS A 77 0.124 -7.127 3.971 1.00 0.00 C ATOM 1162 CE LYS A 77 0.414 -7.799 5.314 1.00 0.00 C ATOM 1163 NZ LYS A 77 -0.663 -7.455 6.284 1.00 0.00 N ATOM 0 H LYS A 77 0.915 -4.418 2.765 1.00 0.00 H new ATOM 0 HA LYS A 77 2.886 -6.030 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.102 -6.493 1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.036 -7.599 0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.448 -8.477 2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.195 -6.958 3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.002 -6.053 4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.812 -7.504 3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.472 -8.880 5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.381 -7.471 5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.466 -7.912 7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.698 -6.424 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.578 -7.789 5.920 1.00 0.00 H new ATOM 1177 N ILE A 78 0.808 -5.689 -0.867 1.00 0.00 N ATOM 1178 CA ILE A 78 0.335 -5.067 -2.134 1.00 0.00 C ATOM 1179 C ILE A 78 -1.129 -4.648 -1.982 1.00 0.00 C ATOM 1180 O ILE A 78 -1.635 -3.841 -2.736 1.00 0.00 O ATOM 1181 CB ILE A 78 0.459 -6.078 -3.276 1.00 0.00 C ATOM 1182 CG1 ILE A 78 0.315 -5.352 -4.616 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -0.641 -7.132 -3.148 1.00 0.00 C ATOM 1184 CD1 ILE A 78 1.683 -5.254 -5.294 1.00 0.00 C ATOM 0 H ILE A 78 0.625 -6.689 -0.779 1.00 0.00 H new ATOM 0 HA ILE A 78 0.943 -4.190 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 78 1.434 -6.563 -3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.383 -5.888 -5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.097 -4.355 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.552 -7.852 -3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.540 -7.649 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.616 -6.648 -3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.580 -4.737 -6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.368 -4.699 -4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.077 -6.256 -5.465 1.00 0.00 H new ATOM 1196 N GLU A 79 -1.813 -5.190 -1.012 1.00 0.00 N ATOM 1197 CA GLU A 79 -3.243 -4.822 -0.813 1.00 0.00 C ATOM 1198 C GLU A 79 -3.327 -3.499 -0.049 1.00 0.00 C ATOM 1199 O GLU A 79 -4.112 -2.631 -0.378 1.00 0.00 O ATOM 1200 CB GLU A 79 -3.946 -5.920 -0.010 1.00 0.00 C ATOM 1201 CG GLU A 79 -5.460 -5.790 -0.183 1.00 0.00 C ATOM 1202 CD GLU A 79 -6.165 -6.843 0.671 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -6.327 -6.604 1.857 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -6.531 -7.871 0.127 1.00 0.00 O ATOM 0 H GLU A 79 -1.444 -5.871 -0.349 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.729 -4.714 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.614 -6.902 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.682 -5.840 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.785 -4.792 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.729 -5.918 -1.232 1.00 0.00 H new ATOM 1211 N GLU A 80 -2.526 -3.338 0.968 1.00 0.00 N ATOM 1212 CA GLU A 80 -2.561 -2.070 1.750 1.00 0.00 C ATOM 1213 C GLU A 80 -2.134 -0.906 0.854 1.00 0.00 C ATOM 1214 O GLU A 80 -2.844 0.069 0.707 1.00 0.00 O ATOM 1215 CB GLU A 80 -1.603 -2.177 2.938 1.00 0.00 C ATOM 1216 CG GLU A 80 -1.812 -0.983 3.873 1.00 0.00 C ATOM 1217 CD GLU A 80 -3.232 -1.024 4.443 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -4.129 -0.532 3.780 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -3.395 -1.546 5.534 1.00 0.00 O ATOM 0 H GLU A 80 -1.849 -4.029 1.291 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.574 -1.896 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.777 -3.109 3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.572 -2.200 2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.083 -1.009 4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.653 -0.051 3.331 1.00 0.00 H new ATOM 1226 N VAL A 81 -0.979 -1.000 0.253 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.510 0.102 -0.632 1.00 0.00 C ATOM 1228 C VAL A 81 -1.610 0.453 -1.635 1.00 0.00 C ATOM 1229 O VAL A 81 -2.086 1.571 -1.682 1.00 0.00 O ATOM 1230 CB VAL A 81 0.743 -0.350 -1.388 1.00 0.00 C ATOM 1231 CG1 VAL A 81 0.962 0.554 -2.601 1.00 0.00 C ATOM 1232 CG2 VAL A 81 1.956 -0.258 -0.459 1.00 0.00 C ATOM 0 H VAL A 81 -0.341 -1.792 0.337 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.275 0.978 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 81 0.615 -1.380 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.854 0.232 -3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.098 0.492 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.091 1.584 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.850 -0.579 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.083 0.772 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.801 -0.902 0.407 1.00 0.00 H new ATOM 1242 N ILE A 82 -2.019 -0.491 -2.438 1.00 0.00 N ATOM 1243 CA ILE A 82 -3.088 -0.209 -3.437 1.00 0.00 C ATOM 1244 C ILE A 82 -4.212 0.585 -2.767 1.00 0.00 C ATOM 1245 O ILE A 82 -4.501 1.704 -3.139 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.644 -1.529 -3.973 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.609 -2.184 -4.894 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -4.932 -1.261 -4.756 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -2.726 -1.602 -6.305 1.00 0.00 C ATOM 0 H ILE A 82 -1.659 -1.445 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.674 0.372 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.860 -2.197 -3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.605 -2.017 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.765 -3.262 -4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.328 -2.202 -5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.668 -0.798 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.718 -0.592 -5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.988 -2.072 -6.955 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.726 -1.792 -6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.548 -0.527 -6.271 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.849 0.012 -1.783 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.954 0.735 -1.092 1.00 0.00 C ATOM 1263 C ASP A 83 -5.593 2.216 -0.966 1.00 0.00 C ATOM 1264 O ASP A 83 -6.358 3.085 -1.336 1.00 0.00 O ATOM 1265 CB ASP A 83 -6.158 0.140 0.303 1.00 0.00 C ATOM 1266 CG ASP A 83 -7.045 1.071 1.132 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -8.051 1.520 0.607 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -6.703 1.320 2.276 1.00 0.00 O ATOM 0 H ASP A 83 -4.653 -0.924 -1.428 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.873 0.632 -1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.619 -0.845 0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.195 0.004 0.796 1.00 0.00 H new ATOM 1273 N LEU A 84 -4.433 2.512 -0.447 1.00 0.00 N ATOM 1274 CA LEU A 84 -4.025 3.938 -0.300 1.00 0.00 C ATOM 1275 C LEU A 84 -4.067 4.623 -1.667 1.00 0.00 C ATOM 1276 O LEU A 84 -4.693 5.650 -1.839 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.603 4.007 0.261 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.557 3.312 1.623 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -1.108 3.232 2.106 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -3.387 4.112 2.630 1.00 0.00 C ATOM 0 H LEU A 84 -3.751 1.829 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.709 4.443 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.906 3.529 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.290 5.046 0.361 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.965 2.305 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.075 2.737 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.516 2.664 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.699 4.238 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.355 3.618 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.978 5.118 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.420 4.170 2.286 1.00 0.00 H new ATOM 1292 N ILE A 85 -3.408 4.061 -2.643 1.00 0.00 N ATOM 1293 CA ILE A 85 -3.411 4.680 -3.998 1.00 0.00 C ATOM 1294 C ILE A 85 -4.824 5.168 -4.331 1.00 0.00 C ATOM 1295 O ILE A 85 -5.020 6.289 -4.755 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.973 3.644 -5.035 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -1.606 3.079 -4.641 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -2.874 4.307 -6.410 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.603 4.224 -4.496 1.00 0.00 C ATOM 0 H ILE A 85 -2.868 3.200 -2.560 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.720 5.523 -4.014 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.704 2.837 -5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.685 2.529 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.261 2.373 -5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.562 3.568 -7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.847 4.711 -6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.143 5.114 -6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.370 3.822 -4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.517 4.754 -5.444 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.947 4.913 -3.725 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.808 4.333 -4.142 1.00 0.00 N ATOM 1312 CA LEU A 86 -7.206 4.749 -4.449 1.00 0.00 C ATOM 1313 C LEU A 86 -7.557 5.994 -3.633 1.00 0.00 C ATOM 1314 O LEU A 86 -8.194 6.908 -4.120 1.00 0.00 O ATOM 1315 CB LEU A 86 -8.167 3.615 -4.087 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.729 2.329 -4.790 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -8.565 1.156 -4.277 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -7.934 2.480 -6.299 1.00 0.00 C ATOM 0 H LEU A 86 -5.705 3.382 -3.789 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.293 4.974 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.179 3.465 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.183 3.876 -4.384 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.676 2.141 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.253 0.240 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.420 1.049 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.619 1.342 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.622 1.565 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.988 2.667 -6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.338 3.316 -6.665 1.00 0.00 H new ATOM 1330 N ARG A 87 -7.147 6.040 -2.395 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.458 7.228 -1.551 1.00 0.00 C ATOM 1332 C ARG A 87 -7.301 8.501 -2.386 1.00 0.00 C ATOM 1333 O ARG A 87 -8.027 9.460 -2.216 1.00 0.00 O ATOM 1334 CB ARG A 87 -6.496 7.275 -0.362 1.00 0.00 C ATOM 1335 CG ARG A 87 -7.054 8.213 0.709 1.00 0.00 C ATOM 1336 CD ARG A 87 -6.253 8.045 2.002 1.00 0.00 C ATOM 1337 NE ARG A 87 -7.186 7.858 3.155 1.00 0.00 N ATOM 1338 CZ ARG A 87 -8.262 8.591 3.270 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -8.500 9.552 2.420 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -9.092 8.376 4.254 1.00 0.00 N ATOM 0 H ARG A 87 -6.610 5.307 -1.932 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.483 7.157 -1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.361 6.275 0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.515 7.621 -0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.000 9.246 0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.106 7.992 0.889 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.587 7.187 1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.626 8.921 2.168 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.980 7.150 3.860 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.844 9.735 1.660 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.342 10.120 2.515 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.900 7.637 4.931 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.932 8.947 4.346 1.00 0.00 H new ATOM 1354 N ASN A 88 -6.358 8.516 -3.287 1.00 0.00 N ATOM 1355 CA ASN A 88 -6.156 9.727 -4.133 1.00 0.00 C ATOM 1356 C ASN A 88 -6.692 9.459 -5.541 1.00 0.00 C ATOM 1357 O ASN A 88 -7.803 9.822 -5.872 1.00 0.00 O ATOM 1358 CB ASN A 88 -4.662 10.053 -4.208 1.00 0.00 C ATOM 1359 CG ASN A 88 -4.078 10.097 -2.796 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -3.502 9.132 -2.334 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -4.200 11.185 -2.086 1.00 0.00 N ATOM 0 H ASN A 88 -5.719 7.743 -3.474 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.690 10.571 -3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.144 9.301 -4.804 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.513 11.012 -4.705 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.812 11.225 -1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.683 11.995 -2.473 1.00 0.00 H new ATOM 1368 N GLY A 89 -5.910 8.827 -6.373 1.00 0.00 N ATOM 1369 CA GLY A 89 -6.375 8.535 -7.759 1.00 0.00 C ATOM 1370 C GLY A 89 -6.270 9.801 -8.611 1.00 0.00 C ATOM 1371 O GLY A 89 -7.151 10.637 -8.609 1.00 0.00 O ATOM 0 H GLY A 89 -4.969 8.500 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.772 7.739 -8.196 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.406 8.181 -7.741 1.00 0.00 H new ATOM 1375 N LYS A 90 -5.199 9.947 -9.343 1.00 0.00 N ATOM 1376 CA LYS A 90 -5.040 11.157 -10.196 1.00 0.00 C ATOM 1377 C LYS A 90 -5.094 12.411 -9.321 1.00 0.00 C ATOM 1378 O LYS A 90 -5.965 13.245 -9.470 1.00 0.00 O ATOM 1379 CB LYS A 90 -6.170 11.206 -11.228 1.00 0.00 C ATOM 1380 CG LYS A 90 -6.228 9.876 -11.983 1.00 0.00 C ATOM 1381 CD LYS A 90 -7.036 10.056 -13.270 1.00 0.00 C ATOM 1382 CE LYS A 90 -7.142 8.714 -13.998 1.00 0.00 C ATOM 1383 NZ LYS A 90 -7.821 8.912 -15.309 1.00 0.00 N ATOM 0 H LYS A 90 -4.428 9.280 -9.387 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.080 11.115 -10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.122 11.397 -10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.004 12.026 -11.926 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.220 9.535 -12.218 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.686 9.110 -11.357 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.031 10.435 -13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.556 10.794 -13.913 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.149 8.292 -14.151 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.701 8.002 -13.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.893 8.000 -15.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.774 9.297 -15.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.270 9.578 -15.888 1.00 0.00 H new