USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 270 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 HIS : no HE2:sc= -1.75 K(o=-4.3,f=-9.7!) USER MOD Set 1.2: A 31 ASN : amide:sc= -2.59 K(o=-4.3,f=-8.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0186) USER MOD Single : A 8 LYS NZ :NH3+ 156:sc=-0.00254 (180deg=-0.254) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 18 LYS NZ :NH3+ 137:sc= -0.928 (180deg=-2.62!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.238) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.182 F(o=-1,f=-0.18) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.613 -0.640 -5.371 1.00 0.00 N ATOM 2 CA GLY A 1 -11.253 0.673 -5.548 1.00 0.00 C ATOM 3 C GLY A 1 -10.523 1.527 -6.556 1.00 0.00 C ATOM 4 O GLY A 1 -10.143 1.055 -7.627 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.146 -1.194 -4.671 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.603 -1.147 -6.279 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.637 -0.508 -5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.285 0.533 -5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.287 1.192 -4.590 1.00 0.00 H new ATOM 10 N ASP A 2 -10.330 2.794 -6.212 1.00 0.00 N ATOM 11 CA ASP A 2 -9.643 3.729 -7.097 1.00 0.00 C ATOM 12 C ASP A 2 -10.385 3.874 -8.420 1.00 0.00 C ATOM 13 O ASP A 2 -10.333 2.991 -9.273 1.00 0.00 O ATOM 14 CB ASP A 2 -8.209 3.263 -7.351 1.00 0.00 C ATOM 15 CG ASP A 2 -7.234 4.417 -7.445 1.00 0.00 C ATOM 16 OD1 ASP A 2 -7.555 5.414 -8.118 1.00 0.00 O ATOM 17 OD2 ASP A 2 -6.143 4.322 -6.842 1.00 0.00 O ATOM 0 H ASP A 2 -10.639 3.198 -5.328 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.620 4.702 -6.607 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.900 2.594 -6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.176 2.687 -8.276 1.00 0.00 H new ATOM 22 N ASN A 3 -11.081 4.997 -8.585 1.00 0.00 N ATOM 23 CA ASN A 3 -11.835 5.261 -9.801 1.00 0.00 C ATOM 24 C ASN A 3 -10.955 5.941 -10.848 1.00 0.00 C ATOM 25 O ASN A 3 -11.141 5.745 -12.050 1.00 0.00 O ATOM 26 CB ASN A 3 -13.056 6.129 -9.494 1.00 0.00 C ATOM 27 CG ASN A 3 -14.336 5.541 -10.049 1.00 0.00 C ATOM 28 OD1 ASN A 3 -14.500 5.415 -11.261 1.00 0.00 O ATOM 29 ND2 ASN A 3 -15.259 5.180 -9.162 1.00 0.00 N ATOM 0 H ASN A 3 -11.136 5.739 -7.887 1.00 0.00 H new ATOM 0 HA ASN A 3 -12.175 4.307 -10.204 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.152 6.248 -8.415 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.905 7.124 -9.912 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -16.143 4.782 -9.479 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -15.083 5.301 -8.165 1.00 0.00 H new ATOM 36 N LYS A 4 -10.003 6.740 -10.385 1.00 0.00 N ATOM 37 CA LYS A 4 -9.099 7.448 -11.279 1.00 0.00 C ATOM 38 C LYS A 4 -7.707 6.818 -11.264 1.00 0.00 C ATOM 39 O LYS A 4 -6.836 7.235 -10.498 1.00 0.00 O ATOM 40 CB LYS A 4 -9.005 8.926 -10.880 1.00 0.00 C ATOM 41 CG LYS A 4 -8.522 9.828 -12.002 1.00 0.00 C ATOM 42 CD LYS A 4 -7.029 10.087 -11.908 1.00 0.00 C ATOM 43 CE LYS A 4 -6.699 11.063 -10.792 1.00 0.00 C ATOM 44 NZ LYS A 4 -5.316 10.873 -10.278 1.00 0.00 N ATOM 0 H LYS A 4 -9.837 6.914 -9.394 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.500 7.374 -12.290 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.985 9.267 -10.547 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.329 9.022 -10.031 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.752 9.369 -12.963 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.059 10.776 -11.965 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.506 9.146 -11.735 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.668 10.483 -12.857 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.813 12.084 -11.157 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.410 10.935 -9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.131 11.558 -9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.214 9.907 -9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.635 11.020 -11.050 1.00 0.00 H new ATOM 58 N PRO A 5 -7.482 5.802 -12.109 1.00 0.00 N ATOM 59 CA PRO A 5 -6.190 5.111 -12.191 1.00 0.00 C ATOM 60 C PRO A 5 -5.103 5.984 -12.814 1.00 0.00 C ATOM 61 O PRO A 5 -5.137 6.266 -14.014 1.00 0.00 O ATOM 62 CB PRO A 5 -6.486 3.906 -13.085 1.00 0.00 C ATOM 63 CG PRO A 5 -7.641 4.333 -13.924 1.00 0.00 C ATOM 64 CD PRO A 5 -8.469 5.244 -13.056 1.00 0.00 C ATOM 0 HA PRO A 5 -5.809 4.843 -11.206 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.624 3.648 -13.700 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.731 3.024 -12.493 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -7.302 4.851 -14.821 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.223 3.473 -14.254 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -8.952 6.027 -13.641 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.259 4.699 -12.539 1.00 0.00 H new ATOM 72 N PRO A 6 -4.114 6.425 -12.011 1.00 0.00 N ATOM 73 CA PRO A 6 -3.024 7.270 -12.502 1.00 0.00 C ATOM 74 C PRO A 6 -2.074 6.511 -13.422 1.00 0.00 C ATOM 75 O PRO A 6 -1.902 5.303 -13.292 1.00 0.00 O ATOM 76 CB PRO A 6 -2.299 7.691 -11.219 1.00 0.00 C ATOM 77 CG PRO A 6 -2.602 6.613 -10.237 1.00 0.00 C ATOM 78 CD PRO A 6 -3.992 6.140 -10.569 1.00 0.00 C ATOM 0 HA PRO A 6 -3.391 8.106 -13.097 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.226 7.785 -11.384 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.653 8.659 -10.865 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.882 5.798 -10.315 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.550 6.988 -9.215 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.116 5.078 -10.357 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.747 6.671 -9.989 1.00 0.00 H new ATOM 86 N LYS A 7 -1.465 7.232 -14.356 1.00 0.00 N ATOM 87 CA LYS A 7 -0.535 6.626 -15.301 1.00 0.00 C ATOM 88 C LYS A 7 0.869 6.571 -14.721 1.00 0.00 C ATOM 89 O LYS A 7 1.720 7.377 -15.074 1.00 0.00 O ATOM 90 CB LYS A 7 -0.526 7.412 -16.616 1.00 0.00 C ATOM 91 CG LYS A 7 -0.352 8.907 -16.428 1.00 0.00 C ATOM 92 CD LYS A 7 0.113 9.576 -17.709 1.00 0.00 C ATOM 93 CE LYS A 7 -0.224 11.058 -17.719 1.00 0.00 C ATOM 94 NZ LYS A 7 0.455 11.794 -16.622 1.00 0.00 N ATOM 0 H LYS A 7 -1.598 8.236 -14.479 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.868 5.607 -15.497 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.279 7.037 -17.248 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.460 7.227 -17.147 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.296 9.347 -16.108 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.372 9.094 -15.635 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.190 9.446 -17.818 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.355 9.090 -18.565 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.066 11.489 -18.677 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.303 11.184 -17.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.224 12.806 -16.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.133 11.424 -15.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.484 11.668 -16.705 1.00 0.00 H new ATOM 108 N LYS A 8 1.096 5.616 -13.827 1.00 0.00 N ATOM 109 CA LYS A 8 2.391 5.456 -13.193 1.00 0.00 C ATOM 110 C LYS A 8 3.151 4.308 -13.827 1.00 0.00 C ATOM 111 O LYS A 8 2.630 3.564 -14.651 1.00 0.00 O ATOM 112 CB LYS A 8 2.233 5.216 -11.694 1.00 0.00 C ATOM 113 CG LYS A 8 1.072 5.950 -11.065 1.00 0.00 C ATOM 114 CD LYS A 8 1.386 6.422 -9.659 1.00 0.00 C ATOM 115 CE LYS A 8 1.785 7.887 -9.637 1.00 0.00 C ATOM 116 NZ LYS A 8 0.655 8.772 -9.291 1.00 0.00 N ATOM 0 H LYS A 8 0.394 4.940 -13.526 1.00 0.00 H new ATOM 0 HA LYS A 8 2.957 6.376 -13.338 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.109 4.147 -11.520 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.152 5.516 -11.191 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.809 6.808 -11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.201 5.295 -11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.515 6.272 -9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.193 5.818 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.590 8.031 -8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.178 8.169 -10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.020 9.662 -8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.099 8.975 -10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.050 8.303 -8.587 1.00 0.00 H new ATOM 130 N GLY A 9 4.412 4.166 -13.440 1.00 0.00 N ATOM 131 CA GLY A 9 5.238 3.103 -13.982 1.00 0.00 C ATOM 132 C GLY A 9 4.664 1.726 -13.713 1.00 0.00 C ATOM 133 O GLY A 9 4.357 1.003 -14.652 1.00 0.00 O ATOM 0 H GLY A 9 4.878 4.767 -12.761 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.346 3.244 -15.057 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.237 3.167 -13.550 1.00 0.00 H new ATOM 137 N PRO A 10 4.507 1.344 -12.437 1.00 0.00 N ATOM 138 CA PRO A 10 3.961 0.054 -12.064 1.00 0.00 C ATOM 139 C PRO A 10 2.491 -0.053 -12.390 1.00 0.00 C ATOM 140 O PRO A 10 1.797 0.933 -12.541 1.00 0.00 O ATOM 141 CB PRO A 10 4.179 -0.006 -10.550 1.00 0.00 C ATOM 142 CG PRO A 10 4.223 1.397 -10.115 1.00 0.00 C ATOM 143 CD PRO A 10 4.848 2.158 -11.254 1.00 0.00 C ATOM 0 HA PRO A 10 4.438 -0.764 -12.605 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.372 -0.547 -10.056 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.106 -0.524 -10.305 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.223 1.771 -9.897 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.810 1.506 -9.203 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.445 3.168 -11.331 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.927 2.254 -11.129 1.00 0.00 H new ATOM 151 N PRO A 11 1.987 -1.291 -12.505 1.00 0.00 N ATOM 152 CA PRO A 11 0.584 -1.541 -12.819 1.00 0.00 C ATOM 153 C PRO A 11 -0.335 -1.166 -11.666 1.00 0.00 C ATOM 154 O PRO A 11 -0.587 -1.971 -10.772 1.00 0.00 O ATOM 155 CB PRO A 11 0.536 -3.049 -13.074 1.00 0.00 C ATOM 156 CG PRO A 11 1.673 -3.601 -12.300 1.00 0.00 C ATOM 157 CD PRO A 11 2.734 -2.545 -12.343 1.00 0.00 C ATOM 0 HA PRO A 11 0.242 -0.945 -13.665 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.411 -3.476 -12.744 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.634 -3.274 -14.136 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.379 -3.821 -11.274 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.029 -4.534 -12.737 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.328 -2.540 -11.429 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.424 -2.707 -13.171 1.00 0.00 H new ATOM 165 N ASN A 12 -0.832 0.061 -11.691 1.00 0.00 N ATOM 166 CA ASN A 12 -1.731 0.533 -10.646 1.00 0.00 C ATOM 167 C ASN A 12 -1.051 0.497 -9.284 1.00 0.00 C ATOM 168 O ASN A 12 -1.700 0.296 -8.257 1.00 0.00 O ATOM 169 CB ASN A 12 -3.008 -0.293 -10.613 1.00 0.00 C ATOM 170 CG ASN A 12 -4.239 0.519 -10.298 1.00 0.00 C ATOM 171 OD1 ASN A 12 -4.312 1.160 -9.263 1.00 0.00 O ATOM 172 ND2 ASN A 12 -5.219 0.496 -11.195 1.00 0.00 N ATOM 0 H ASN A 12 -0.630 0.746 -12.419 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.991 1.566 -10.877 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.141 -0.781 -11.578 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.902 -1.082 -9.869 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.074 1.028 -11.031 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.117 -0.054 -12.048 1.00 0.00 H new ATOM 179 N GLY A 13 0.261 0.691 -9.282 1.00 0.00 N ATOM 180 CA GLY A 13 0.997 0.678 -8.039 1.00 0.00 C ATOM 181 C GLY A 13 1.484 2.042 -7.643 1.00 0.00 C ATOM 182 O GLY A 13 2.670 2.298 -7.615 1.00 0.00 O ATOM 0 H GLY A 13 0.824 0.856 -10.116 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.361 0.279 -7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.849 0.005 -8.132 1.00 0.00 H new ATOM 186 N CYS A 14 0.557 2.937 -7.341 1.00 0.00 N ATOM 187 CA CYS A 14 0.897 4.301 -6.947 1.00 0.00 C ATOM 188 C CYS A 14 1.827 4.306 -5.758 1.00 0.00 C ATOM 189 O CYS A 14 2.864 4.972 -5.790 1.00 0.00 O ATOM 190 CB CYS A 14 -0.363 5.103 -6.633 1.00 0.00 C ATOM 191 SG CYS A 14 -1.276 4.542 -5.159 1.00 0.00 S ATOM 0 H CYS A 14 -0.444 2.744 -7.361 1.00 0.00 H new ATOM 0 HA CYS A 14 1.410 4.771 -7.786 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.087 6.149 -6.496 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.029 5.059 -7.495 1.00 0.00 H new ATOM 196 N PHE A 15 1.493 3.544 -4.717 1.00 0.00 N ATOM 197 CA PHE A 15 2.339 3.452 -3.538 1.00 0.00 C ATOM 198 C PHE A 15 2.678 1.998 -3.241 1.00 0.00 C ATOM 199 O PHE A 15 2.272 1.095 -3.975 1.00 0.00 O ATOM 200 CB PHE A 15 1.667 4.089 -2.320 1.00 0.00 C ATOM 201 CG PHE A 15 0.196 4.096 -2.342 1.00 0.00 C ATOM 202 CD1 PHE A 15 -0.514 2.919 -2.515 1.00 0.00 C ATOM 203 CD2 PHE A 15 -0.502 5.277 -2.167 1.00 0.00 C ATOM 204 CE1 PHE A 15 -1.899 2.925 -2.521 1.00 0.00 C ATOM 205 CE2 PHE A 15 -1.885 5.290 -2.168 1.00 0.00 C ATOM 206 CZ PHE A 15 -2.584 4.113 -2.347 1.00 0.00 C ATOM 0 H PHE A 15 0.642 2.983 -4.671 1.00 0.00 H new ATOM 0 HA PHE A 15 3.258 4.000 -3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.997 3.560 -1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.017 5.117 -2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.017 1.988 -2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.040 6.201 -2.028 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.443 2.003 -2.661 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.417 6.219 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.664 4.120 -2.351 1.00 0.00 H new ATOM 216 N GLY A 16 3.431 1.773 -2.166 1.00 0.00 N ATOM 217 CA GLY A 16 3.813 0.426 -1.794 1.00 0.00 C ATOM 218 C GLY A 16 2.651 -0.515 -1.814 1.00 0.00 C ATOM 219 O GLY A 16 1.494 -0.103 -1.915 1.00 0.00 O ATOM 0 H GLY A 16 3.783 2.503 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.582 0.066 -2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.253 0.437 -0.797 1.00 0.00 H new ATOM 223 N HIS A 17 2.954 -1.803 -1.725 1.00 0.00 N ATOM 224 CA HIS A 17 1.923 -2.838 -1.732 1.00 0.00 C ATOM 225 C HIS A 17 1.026 -2.717 -0.511 1.00 0.00 C ATOM 226 O HIS A 17 1.241 -1.866 0.320 1.00 0.00 O ATOM 227 CB HIS A 17 2.566 -4.222 -1.774 1.00 0.00 C ATOM 228 CG HIS A 17 3.021 -4.632 -3.142 1.00 0.00 C ATOM 229 ND1 HIS A 17 2.284 -4.398 -4.283 1.00 0.00 N ATOM 230 CD2 HIS A 17 4.145 -5.264 -3.548 1.00 0.00 C ATOM 231 CE1 HIS A 17 2.934 -4.870 -5.328 1.00 0.00 C ATOM 232 NE2 HIS A 17 4.067 -5.396 -4.910 1.00 0.00 N ATOM 0 H HIS A 17 3.907 -2.159 -1.647 1.00 0.00 H new ATOM 0 HA HIS A 17 1.310 -2.703 -2.623 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.420 -4.237 -1.097 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.851 -4.957 -1.403 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.377 -3.932 -4.314 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.954 -5.602 -2.917 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.595 -4.832 -6.353 1.00 0.00 H new ATOM 241 N LYS A 18 0.050 -3.580 -0.461 1.00 0.00 N ATOM 242 CA LYS A 18 -0.884 -3.582 0.637 1.00 0.00 C ATOM 243 C LYS A 18 -0.408 -4.504 1.753 1.00 0.00 C ATOM 244 O LYS A 18 -1.167 -5.332 2.262 1.00 0.00 O ATOM 245 CB LYS A 18 -2.274 -4.015 0.157 1.00 0.00 C ATOM 246 CG LYS A 18 -2.270 -5.338 -0.575 1.00 0.00 C ATOM 247 CD LYS A 18 -3.539 -6.129 -0.313 1.00 0.00 C ATOM 248 CE LYS A 18 -3.542 -6.727 1.076 1.00 0.00 C ATOM 249 NZ LYS A 18 -4.205 -5.825 2.060 1.00 0.00 N ATOM 0 H LYS A 18 -0.122 -4.294 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.945 -2.567 1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.942 -4.085 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.680 -3.246 -0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.166 -5.161 -1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.405 -5.924 -0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.406 -5.479 -0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.633 -6.924 -1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.056 -7.688 1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.517 -6.920 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.822 -6.384 2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.482 -5.343 2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.774 -5.117 1.553 1.00 0.00 H new ATOM 263 N ILE A 19 0.825 -4.354 2.136 1.00 0.00 N ATOM 264 CA ILE A 19 1.401 -5.170 3.197 1.00 0.00 C ATOM 265 C ILE A 19 1.197 -4.521 4.560 1.00 0.00 C ATOM 266 O ILE A 19 0.803 -5.185 5.520 1.00 0.00 O ATOM 267 CB ILE A 19 2.908 -5.403 2.974 1.00 0.00 C ATOM 268 CG1 ILE A 19 3.202 -5.644 1.489 1.00 0.00 C ATOM 269 CG2 ILE A 19 3.391 -6.581 3.813 1.00 0.00 C ATOM 270 CD1 ILE A 19 4.655 -5.951 1.203 1.00 0.00 C ATOM 0 H ILE A 19 1.467 -3.671 1.734 1.00 0.00 H new ATOM 0 HA ILE A 19 0.885 -6.130 3.172 1.00 0.00 H new ATOM 0 HB ILE A 19 3.447 -4.509 3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.588 -6.472 1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.907 -4.762 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.457 -6.734 3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.216 -6.372 4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.846 -7.480 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.789 -6.110 0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.274 -5.114 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.950 -6.850 1.744 1.00 0.00 H new ATOM 282 N ASP A 20 1.465 -3.224 4.641 1.00 0.00 N ATOM 283 CA ASP A 20 1.312 -2.484 5.889 1.00 0.00 C ATOM 284 C ASP A 20 -0.116 -2.069 6.098 1.00 0.00 C ATOM 285 O ASP A 20 -0.698 -1.392 5.259 1.00 0.00 O ATOM 286 CB ASP A 20 2.213 -1.250 5.886 1.00 0.00 C ATOM 287 CG ASP A 20 2.762 -0.932 7.266 1.00 0.00 C ATOM 288 OD1 ASP A 20 2.080 -1.239 8.263 1.00 0.00 O ATOM 289 OD2 ASP A 20 3.881 -0.378 7.347 1.00 0.00 O ATOM 0 H ASP A 20 1.790 -2.661 3.855 1.00 0.00 H new ATOM 0 HA ASP A 20 1.604 -3.142 6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.042 -1.410 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.650 -0.393 5.515 1.00 0.00 H new ATOM 294 N ARG A 21 -0.675 -2.477 7.229 1.00 0.00 N ATOM 295 CA ARG A 21 -2.057 -2.148 7.552 1.00 0.00 C ATOM 296 C ARG A 21 -2.123 -0.975 8.527 1.00 0.00 C ATOM 297 O ARG A 21 -2.348 -1.158 9.720 1.00 0.00 O ATOM 298 CB ARG A 21 -2.766 -3.365 8.151 1.00 0.00 C ATOM 299 CG ARG A 21 -3.675 -4.082 7.162 1.00 0.00 C ATOM 300 CD ARG A 21 -2.909 -5.111 6.347 1.00 0.00 C ATOM 301 NE ARG A 21 -3.060 -6.459 6.886 1.00 0.00 N ATOM 302 CZ ARG A 21 -2.256 -7.477 6.577 1.00 0.00 C ATOM 303 NH1 ARG A 21 -1.243 -7.302 5.738 1.00 0.00 N ATOM 304 NH2 ARG A 21 -2.466 -8.671 7.113 1.00 0.00 N ATOM 0 H ARG A 21 -0.195 -3.034 7.936 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.561 -1.860 6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.018 -4.067 8.520 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.356 -3.046 9.010 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.485 -4.573 7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.133 -3.354 6.493 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.261 -5.092 5.316 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.852 -4.845 6.328 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.826 -6.633 7.537 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.075 -6.384 5.325 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.632 -8.085 5.506 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.242 -8.810 7.761 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.852 -9.451 6.878 1.00 0.00 H new ATOM 318 N ILE A 22 -1.929 0.200 8.004 1.00 0.00 N ATOM 319 CA ILE A 22 -1.963 1.402 8.826 1.00 0.00 C ATOM 320 C ILE A 22 -2.875 2.458 8.208 1.00 0.00 C ATOM 321 O ILE A 22 -3.365 2.288 7.088 1.00 0.00 O ATOM 322 CB ILE A 22 -0.563 2.010 9.018 1.00 0.00 C ATOM 323 CG1 ILE A 22 0.488 0.932 8.904 1.00 0.00 C ATOM 324 CG2 ILE A 22 -0.481 2.712 10.365 1.00 0.00 C ATOM 325 CD1 ILE A 22 1.898 1.470 9.024 1.00 0.00 C ATOM 0 H ILE A 22 -1.745 0.365 7.014 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.350 1.100 9.799 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.381 2.748 8.237 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.322 0.186 9.681 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.378 0.424 7.946 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.514 3.139 10.493 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.226 3.507 10.407 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.672 1.993 11.162 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.610 0.649 8.934 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.079 2.196 8.231 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.022 1.953 9.993 1.00 0.00 H new ATOM 337 N GLY A 23 -3.101 3.543 8.939 1.00 0.00 N ATOM 338 CA GLY A 23 -3.955 4.611 8.441 1.00 0.00 C ATOM 339 C GLY A 23 -3.689 5.933 9.133 1.00 0.00 C ATOM 340 O GLY A 23 -4.496 6.386 9.943 1.00 0.00 O ATOM 0 H GLY A 23 -2.710 3.705 9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.799 4.727 7.369 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.999 4.333 8.583 1.00 0.00 H new ATOM 344 N SER A 24 -2.558 6.551 8.811 1.00 0.00 N ATOM 345 CA SER A 24 -2.189 7.833 9.407 1.00 0.00 C ATOM 346 C SER A 24 -1.760 8.825 8.332 1.00 0.00 C ATOM 347 O SER A 24 -2.446 9.811 8.074 1.00 0.00 O ATOM 348 CB SER A 24 -1.067 7.639 10.425 1.00 0.00 C ATOM 349 OG SER A 24 -1.244 8.487 11.547 1.00 0.00 O ATOM 0 H SER A 24 -1.880 6.187 8.141 1.00 0.00 H new ATOM 0 HA SER A 24 -3.063 8.238 9.918 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.043 6.599 10.751 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.106 7.848 9.956 1.00 0.00 H new ATOM 0 HG SER A 24 -0.514 8.343 12.185 1.00 0.00 H new ATOM 355 N HIS A 25 -0.612 8.557 7.716 1.00 0.00 N ATOM 356 CA HIS A 25 -0.101 9.427 6.668 1.00 0.00 C ATOM 357 C HIS A 25 -0.120 8.726 5.316 1.00 0.00 C ATOM 358 O HIS A 25 -0.868 9.108 4.419 1.00 0.00 O ATOM 359 CB HIS A 25 1.306 9.861 7.007 1.00 0.00 C ATOM 360 CG HIS A 25 1.614 11.271 6.601 1.00 0.00 C ATOM 361 ND1 HIS A 25 2.378 11.588 5.500 1.00 0.00 N ATOM 362 CD2 HIS A 25 1.259 12.452 7.161 1.00 0.00 C ATOM 363 CE1 HIS A 25 2.482 12.902 5.398 1.00 0.00 C ATOM 364 NE2 HIS A 25 1.807 13.447 6.391 1.00 0.00 N ATOM 0 H HIS A 25 -0.024 7.750 7.924 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.746 10.303 6.603 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.460 9.759 8.081 1.00 0.00 H new ATOM 0 HB3 HIS A 25 2.012 9.189 6.519 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.657 12.586 8.048 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.026 13.437 4.633 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.708 14.448 6.560 1.00 0.00 H new ATOM 373 N SER A 26 0.685 7.701 5.167 1.00 0.00 N ATOM 374 CA SER A 26 0.759 6.945 3.923 1.00 0.00 C ATOM 375 C SER A 26 -0.416 6.026 3.771 1.00 0.00 C ATOM 376 O SER A 26 -1.217 5.884 4.697 1.00 0.00 O ATOM 377 CB SER A 26 2.046 6.127 3.874 1.00 0.00 C ATOM 378 OG SER A 26 2.418 5.830 2.540 1.00 0.00 O ATOM 0 H SER A 26 1.309 7.362 5.899 1.00 0.00 H new ATOM 0 HA SER A 26 0.749 7.663 3.103 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.849 6.679 4.363 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.911 5.200 4.431 1.00 0.00 H new ATOM 0 HG SER A 26 3.247 5.307 2.540 1.00 0.00 H new ATOM 384 N GLY A 27 -0.540 5.404 2.605 1.00 0.00 N ATOM 385 CA GLY A 27 -1.650 4.509 2.356 1.00 0.00 C ATOM 386 C GLY A 27 -1.350 3.508 1.256 1.00 0.00 C ATOM 387 O GLY A 27 -1.991 3.514 0.209 1.00 0.00 O ATOM 0 H GLY A 27 0.111 5.505 1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.895 3.974 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.529 5.092 2.083 1.00 0.00 H new ATOM 391 N LEU A 28 -0.370 2.645 1.502 1.00 0.00 N ATOM 392 CA LEU A 28 0.018 1.632 0.527 1.00 0.00 C ATOM 393 C LEU A 28 -1.165 0.749 0.153 1.00 0.00 C ATOM 394 O LEU A 28 -2.208 0.777 0.809 1.00 0.00 O ATOM 395 CB LEU A 28 1.126 0.767 1.074 1.00 0.00 C ATOM 396 CG LEU A 28 2.178 1.512 1.899 1.00 0.00 C ATOM 397 CD1 LEU A 28 3.361 0.602 2.195 1.00 0.00 C ATOM 398 CD2 LEU A 28 2.641 2.764 1.169 1.00 0.00 C ATOM 0 H LEU A 28 0.170 2.627 2.367 1.00 0.00 H new ATOM 0 HA LEU A 28 0.368 2.153 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.685 -0.014 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.624 0.270 0.241 1.00 0.00 H new ATOM 0 HG LEU A 28 1.726 1.812 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.101 1.146 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.020 -0.267 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.811 0.274 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.389 3.281 1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.077 2.486 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.790 3.424 1.003 1.00 0.00 H new ATOM 410 N GLY A 29 -1.003 -0.006 -0.871 1.00 0.00 N ATOM 411 CA GLY A 29 -2.067 -0.891 -1.312 1.00 0.00 C ATOM 412 C GLY A 29 -2.738 -0.410 -2.587 1.00 0.00 C ATOM 413 O GLY A 29 -3.965 -0.382 -2.676 1.00 0.00 O ATOM 0 H GLY A 29 -0.152 -0.044 -1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.660 -1.889 -1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.814 -0.976 -0.523 1.00 0.00 H new ATOM 417 N CYS A 30 -1.932 -0.034 -3.575 1.00 0.00 N ATOM 418 CA CYS A 30 -2.460 0.428 -4.848 1.00 0.00 C ATOM 419 C CYS A 30 -2.555 -0.697 -5.856 1.00 0.00 C ATOM 420 O CYS A 30 -3.500 -0.774 -6.640 1.00 0.00 O ATOM 421 CB CYS A 30 -1.575 1.529 -5.409 1.00 0.00 C ATOM 422 SG CYS A 30 -2.475 3.050 -5.848 1.00 0.00 S ATOM 0 H CYS A 30 -0.914 -0.041 -3.516 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.464 0.811 -4.667 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.806 1.773 -4.675 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.063 1.154 -6.295 1.00 0.00 H new ATOM 427 N ASN A 31 -1.565 -1.585 -5.824 1.00 0.00 N ATOM 428 CA ASN A 31 -1.527 -2.726 -6.726 1.00 0.00 C ATOM 429 C ASN A 31 -2.748 -3.615 -6.534 1.00 0.00 C ATOM 430 O ASN A 31 -3.055 -4.031 -5.415 1.00 0.00 O ATOM 431 CB ASN A 31 -0.249 -3.531 -6.495 1.00 0.00 C ATOM 432 CG ASN A 31 0.966 -2.644 -6.398 1.00 0.00 C ATOM 433 OD1 ASN A 31 1.355 -2.222 -5.309 1.00 0.00 O ATOM 434 ND2 ASN A 31 1.580 -2.365 -7.538 1.00 0.00 N ATOM 0 H ASN A 31 -0.776 -1.533 -5.179 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.537 -2.353 -7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.347 -4.113 -5.579 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.115 -4.241 -7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.413 -1.777 -7.538 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.220 -2.738 -8.416 1.00 0.00 H new ATOM 441 N LYS A 32 -3.448 -3.901 -7.628 1.00 0.00 N ATOM 442 CA LYS A 32 -4.635 -4.739 -7.583 1.00 0.00 C ATOM 443 C LYS A 32 -4.308 -6.122 -7.023 1.00 0.00 C ATOM 444 O LYS A 32 -3.398 -6.798 -7.503 1.00 0.00 O ATOM 445 CB LYS A 32 -5.230 -4.869 -8.984 1.00 0.00 C ATOM 446 CG LYS A 32 -4.328 -5.607 -9.964 1.00 0.00 C ATOM 447 CD LYS A 32 -4.463 -5.047 -11.370 1.00 0.00 C ATOM 448 CE LYS A 32 -3.230 -5.350 -12.212 1.00 0.00 C ATOM 449 NZ LYS A 32 -2.801 -6.768 -12.072 1.00 0.00 N ATOM 0 H LYS A 32 -3.209 -3.561 -8.560 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.363 -4.269 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.184 -5.392 -8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.439 -3.873 -9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.291 -5.528 -9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.581 -6.667 -9.967 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.345 -5.472 -11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.615 -3.969 -11.320 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.443 -5.136 -13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.414 -4.692 -11.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.083 -6.986 -12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.398 -6.917 -11.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.622 -7.393 -12.201 1.00 0.00 H new ATOM 463 N VAL A 33 -5.055 -6.532 -6.005 1.00 0.00 N ATOM 464 CA VAL A 33 -4.847 -7.833 -5.377 1.00 0.00 C ATOM 465 C VAL A 33 -6.089 -8.706 -5.504 1.00 0.00 C ATOM 466 O VAL A 33 -7.210 -8.250 -5.271 1.00 0.00 O ATOM 467 CB VAL A 33 -4.485 -7.685 -3.889 1.00 0.00 C ATOM 468 CG1 VAL A 33 -3.045 -7.221 -3.731 1.00 0.00 C ATOM 469 CG2 VAL A 33 -5.441 -6.725 -3.198 1.00 0.00 C ATOM 0 H VAL A 33 -5.811 -5.983 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.017 -8.309 -5.898 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.581 -8.661 -3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.809 -7.122 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.375 -7.951 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.918 -6.256 -4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.168 -6.634 -2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.382 -5.746 -3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.459 -7.106 -3.277 1.00 0.00 H new ATOM 479 N ASP A 34 -5.886 -9.967 -5.869 1.00 0.00 N ATOM 480 CA ASP A 34 -6.987 -10.906 -6.025 1.00 0.00 C ATOM 481 C ASP A 34 -7.239 -11.667 -4.727 1.00 0.00 C ATOM 482 O ASP A 34 -7.216 -12.899 -4.699 1.00 0.00 O ATOM 483 CB ASP A 34 -6.690 -11.889 -7.158 1.00 0.00 C ATOM 484 CG ASP A 34 -7.947 -12.365 -7.860 1.00 0.00 C ATOM 485 OD1 ASP A 34 -8.501 -11.598 -8.673 1.00 0.00 O ATOM 486 OD2 ASP A 34 -8.379 -13.508 -7.588 1.00 0.00 O ATOM 0 H ASP A 34 -4.966 -10.362 -6.063 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.884 -10.339 -6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.031 -11.413 -7.884 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.154 -12.749 -6.757 1.00 0.00 H new ATOM 491 N ASP A 35 -7.485 -10.925 -3.649 1.00 0.00 N ATOM 492 CA ASP A 35 -7.741 -11.521 -2.354 1.00 0.00 C ATOM 493 C ASP A 35 -9.239 -11.693 -2.135 1.00 0.00 C ATOM 494 O ASP A 35 -10.044 -11.482 -3.032 1.00 0.00 O ATOM 495 CB ASP A 35 -7.134 -10.668 -1.249 1.00 0.00 C ATOM 496 CG ASP A 35 -6.758 -9.263 -1.692 1.00 0.00 C ATOM 497 OD1 ASP A 35 -7.620 -8.576 -2.266 1.00 0.00 O ATOM 498 OD2 ASP A 35 -5.603 -8.852 -1.447 1.00 0.00 O ATOM 0 H ASP A 35 -7.511 -9.905 -3.655 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.274 -12.505 -2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.843 -10.601 -0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.245 -11.168 -0.865 1.00 0.00 H new ATOM 503 N ASN A 36 -9.606 -12.074 -0.923 1.00 0.00 N ATOM 504 CA ASN A 36 -11.004 -12.276 -0.577 1.00 0.00 C ATOM 505 C ASN A 36 -11.852 -11.069 -0.963 1.00 0.00 C ATOM 506 O ASN A 36 -13.033 -11.206 -1.284 1.00 0.00 O ATOM 507 CB ASN A 36 -11.140 -12.537 0.919 1.00 0.00 C ATOM 508 CG ASN A 36 -12.562 -12.864 1.324 1.00 0.00 C ATOM 509 OD1 ASN A 36 -13.402 -11.837 1.412 1.00 0.00 O flip ATOM 510 ND2 ASN A 36 -12.905 -14.023 1.555 1.00 0.00 N flip ATOM 0 H ASN A 36 -8.953 -12.250 -0.159 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.364 -13.140 -1.135 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -10.486 -13.362 1.201 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -10.801 -11.659 1.470 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -12.227 -14.781 1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.867 -14.226 1.826 1.00 0.00 H new ATOM 517 N LYS A 37 -11.245 -9.889 -0.934 1.00 0.00 N ATOM 518 CA LYS A 37 -11.942 -8.658 -1.288 1.00 0.00 C ATOM 519 C LYS A 37 -13.126 -8.417 -0.365 1.00 0.00 C ATOM 520 O LYS A 37 -14.118 -9.143 -0.410 1.00 0.00 O ATOM 521 CB LYS A 37 -12.424 -8.719 -2.737 1.00 0.00 C ATOM 522 CG LYS A 37 -12.367 -7.379 -3.434 1.00 0.00 C ATOM 523 CD LYS A 37 -12.301 -7.559 -4.942 1.00 0.00 C ATOM 524 CE LYS A 37 -11.416 -6.510 -5.593 1.00 0.00 C ATOM 525 NZ LYS A 37 -12.032 -5.156 -5.548 1.00 0.00 N ATOM 0 H LYS A 37 -10.269 -9.758 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.240 -7.832 -1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.814 -9.435 -3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.449 -9.090 -2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.245 -6.789 -3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.495 -6.822 -3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.918 -8.553 -5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.306 -7.499 -5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.450 -6.486 -5.088 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.227 -6.788 -6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.396 -4.470 -6.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.942 -5.172 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.189 -4.879 -4.558 1.00 0.00 H new ATOM 539 N GLY A 38 -13.012 -7.396 0.473 1.00 0.00 N ATOM 540 CA GLY A 38 -14.078 -7.077 1.402 1.00 0.00 C ATOM 541 C GLY A 38 -14.385 -8.221 2.346 1.00 0.00 C ATOM 542 O GLY A 38 -13.611 -8.419 3.308 1.00 0.00 O ATOM 543 OXT GLY A 38 -15.394 -8.921 2.130 1.00 0.00 O ATOM 0 H GLY A 38 -12.199 -6.782 0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.800 -6.197 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.978 -6.820 0.843 1.00 0.00 H new TER 547 GLY A 38