USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 452 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 18 SER OG : rot 180:sc= 0.487 USER MOD Set 1.2: A 30 SER OG : rot -37:sc= 0.253 USER MOD Set 2.1: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.02 X(o=-0.02,f=-0.02) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 26 HIS : no HD1:sc= -0.886 K(o=-0.89,f=-3.3!) USER MOD Single : A 28 ASN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.35) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 40 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.67) USER MOD Single : A 41 GLN : amide:sc= 0.444 K(o=0.44,f=-0.86) USER MOD Single : A 43 ASN : amide:sc= -0.326 K(o=-0.33,f=-1.4) USER MOD Single : A 50 HIS : no HD1:sc= -0.0412 X(o=-0.041,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -140:sc= 0.505 (180deg=0.0267) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ASN A 10 -0.408 0.967 6.794 1.00 0.00 N ATOM 98 CA ASN A 10 0.315 -0.069 6.066 1.00 0.00 C ATOM 99 C ASN A 10 0.714 0.410 4.662 1.00 0.00 C ATOM 100 O ASN A 10 0.490 1.567 4.296 1.00 0.00 O ATOM 101 CB ASN A 10 -0.502 -1.364 6.000 1.00 0.00 C ATOM 102 CG ASN A 10 -1.127 -1.823 7.308 1.00 0.00 C ATOM 103 OD1 ASN A 10 -0.464 -2.414 8.153 1.00 0.00 O ATOM 104 ND2 ASN A 10 -2.413 -1.598 7.500 1.00 0.00 N ATOM 0 HA ASN A 10 1.234 -0.281 6.613 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.297 -1.232 5.266 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.144 -2.160 5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.864 -1.917 8.358 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.956 -1.105 6.791 1.00 0.00 H new ATOM 111 N LEU A 11 1.301 -0.475 3.856 1.00 0.00 N ATOM 112 CA LEU A 11 1.412 -0.317 2.410 1.00 0.00 C ATOM 113 C LEU A 11 0.052 -0.669 1.781 1.00 0.00 C ATOM 114 O LEU A 11 -0.697 -1.472 2.326 1.00 0.00 O ATOM 115 CB LEU A 11 2.607 -1.160 1.914 1.00 0.00 C ATOM 116 CG LEU A 11 2.652 -1.395 0.410 1.00 0.00 C ATOM 117 CD1 LEU A 11 2.867 -0.079 -0.340 1.00 0.00 C ATOM 118 CD2 LEU A 11 3.782 -2.396 0.141 1.00 0.00 C ATOM 0 H LEU A 11 1.721 -1.339 4.200 1.00 0.00 H new ATOM 0 HA LEU A 11 1.628 0.708 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.530 -0.666 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.583 -2.127 2.417 1.00 0.00 H new ATOM 0 HG LEU A 11 1.705 -1.799 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.896 -0.272 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.049 0.605 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.810 0.369 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.847 -2.592 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.727 -1.981 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.576 -3.327 0.668 1.00 0.00 H new ATOM 130 N LYS A 12 -0.308 -0.091 0.632 1.00 0.00 N ATOM 131 CA LYS A 12 -1.457 -0.495 -0.178 1.00 0.00 C ATOM 132 C LYS A 12 -0.943 -0.766 -1.585 1.00 0.00 C ATOM 133 O LYS A 12 -0.003 -0.111 -2.046 1.00 0.00 O ATOM 134 CB LYS A 12 -2.514 0.620 -0.153 1.00 0.00 C ATOM 135 CG LYS A 12 -3.326 0.645 1.161 1.00 0.00 C ATOM 136 CD LYS A 12 -4.768 0.184 0.917 1.00 0.00 C ATOM 137 CE LYS A 12 -5.658 0.352 2.155 1.00 0.00 C ATOM 138 NZ LYS A 12 -6.288 1.684 2.227 1.00 0.00 N ATOM 0 H LYS A 12 0.207 0.692 0.230 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.933 -1.396 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.023 1.583 -0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.195 0.488 -0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.852 -0.002 1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.327 1.653 1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.192 0.752 0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.765 -0.864 0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.435 -0.413 2.145 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.061 0.188 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.878 1.743 3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.550 2.416 2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.881 1.833 1.386 1.00 0.00 H new ATOM 152 N ALA A 13 -1.546 -1.737 -2.267 1.00 0.00 N ATOM 153 CA ALA A 13 -1.225 -2.101 -3.634 1.00 0.00 C ATOM 154 C ALA A 13 -2.526 -2.400 -4.374 1.00 0.00 C ATOM 155 O ALA A 13 -3.388 -3.116 -3.858 1.00 0.00 O ATOM 156 CB ALA A 13 -0.225 -3.255 -3.666 1.00 0.00 C ATOM 0 H ALA A 13 -2.292 -2.305 -1.867 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.732 -1.276 -4.148 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.002 -3.512 -4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.692 -2.956 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.653 -4.122 -3.163 1.00 0.00 H new ATOM 162 N GLN A 14 -2.698 -1.811 -5.558 1.00 0.00 N ATOM 163 CA GLN A 14 -3.879 -2.005 -6.378 1.00 0.00 C ATOM 164 C GLN A 14 -3.672 -3.269 -7.232 1.00 0.00 C ATOM 165 O GLN A 14 -2.607 -3.434 -7.839 1.00 0.00 O ATOM 166 CB GLN A 14 -4.112 -0.751 -7.237 1.00 0.00 C ATOM 167 CG GLN A 14 -5.516 -0.824 -7.852 1.00 0.00 C ATOM 168 CD GLN A 14 -5.809 0.325 -8.803 1.00 0.00 C ATOM 169 OE1 GLN A 14 -6.264 1.393 -8.404 1.00 0.00 O ATOM 170 NE2 GLN A 14 -5.515 0.171 -10.080 1.00 0.00 N ATOM 0 H GLN A 14 -2.011 -1.181 -5.972 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.769 -2.148 -5.766 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.014 0.147 -6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.359 -0.687 -8.023 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.624 -1.768 -8.387 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.257 -0.825 -7.053 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.137 -0.716 -10.413 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.666 0.939 -10.734 1.00 0.00 H new ATOM 179 N ALA A 15 -4.662 -4.163 -7.282 1.00 0.00 N ATOM 180 CA ALA A 15 -4.661 -5.348 -8.130 1.00 0.00 C ATOM 181 C ALA A 15 -4.810 -5.015 -9.619 1.00 0.00 C ATOM 182 O ALA A 15 -5.600 -4.162 -10.035 1.00 0.00 O ATOM 183 CB ALA A 15 -5.780 -6.287 -7.682 1.00 0.00 C ATOM 0 H ALA A 15 -5.507 -4.077 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.692 -5.834 -8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.784 -7.176 -8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.616 -6.579 -6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.739 -5.777 -7.768 1.00 0.00 H new ATOM 189 N LEU A 16 -4.052 -5.736 -10.444 1.00 0.00 N ATOM 190 CA LEU A 16 -3.932 -5.539 -11.888 1.00 0.00 C ATOM 191 C LEU A 16 -4.920 -6.398 -12.689 1.00 0.00 C ATOM 192 O LEU A 16 -5.124 -6.137 -13.873 1.00 0.00 O ATOM 193 CB LEU A 16 -2.495 -5.860 -12.339 1.00 0.00 C ATOM 194 CG LEU A 16 -1.397 -5.015 -11.671 1.00 0.00 C ATOM 195 CD1 LEU A 16 -0.017 -5.544 -12.058 1.00 0.00 C ATOM 196 CD2 LEU A 16 -1.526 -3.538 -12.038 1.00 0.00 C ATOM 0 H LEU A 16 -3.478 -6.509 -10.108 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.172 -4.495 -12.088 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.294 -6.912 -12.138 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.431 -5.723 -13.418 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.519 -5.098 -10.591 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.752 -4.938 -11.579 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.081 -6.579 -11.731 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.102 -5.493 -13.140 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.734 -2.971 -11.549 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.440 -3.423 -13.118 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.496 -3.165 -11.709 1.00 0.00 H new ATOM 208 N CYS A 17 -5.537 -7.411 -12.078 1.00 0.00 N ATOM 209 CA CYS A 17 -6.543 -8.294 -12.664 1.00 0.00 C ATOM 210 C CYS A 17 -7.379 -8.845 -11.502 1.00 0.00 C ATOM 211 O CYS A 17 -6.919 -8.764 -10.363 1.00 0.00 O ATOM 212 CB CYS A 17 -5.837 -9.433 -13.419 1.00 0.00 C ATOM 213 SG CYS A 17 -6.869 -10.016 -14.786 1.00 0.00 S ATOM 0 H CYS A 17 -5.336 -7.649 -11.107 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.183 -7.768 -13.373 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.878 -9.085 -13.802 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.628 -10.256 -12.736 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.256 -10.976 -15.414 1.00 0.00 H new ATOM 219 N SER A 18 -8.557 -9.426 -11.749 1.00 0.00 N ATOM 220 CA SER A 18 -9.253 -10.169 -10.700 1.00 0.00 C ATOM 221 C SER A 18 -8.541 -11.512 -10.503 1.00 0.00 C ATOM 222 O SER A 18 -8.102 -12.098 -11.495 1.00 0.00 O ATOM 223 CB SER A 18 -10.709 -10.421 -11.103 1.00 0.00 C ATOM 224 OG SER A 18 -11.441 -9.243 -11.424 1.00 0.00 O ATOM 0 H SER A 18 -9.039 -9.397 -12.648 1.00 0.00 H new ATOM 0 HA SER A 18 -9.242 -9.591 -9.776 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.725 -11.090 -11.963 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.215 -10.938 -10.288 1.00 0.00 H new ATOM 0 HG SER A 18 -12.358 -9.485 -11.672 1.00 0.00 H new ATOM 230 N TRP A 19 -8.450 -12.046 -9.281 1.00 0.00 N ATOM 231 CA TRP A 19 -7.896 -13.377 -9.042 1.00 0.00 C ATOM 232 C TRP A 19 -8.479 -13.997 -7.763 1.00 0.00 C ATOM 233 O TRP A 19 -8.939 -13.277 -6.874 1.00 0.00 O ATOM 234 CB TRP A 19 -6.362 -13.294 -8.996 1.00 0.00 C ATOM 235 CG TRP A 19 -5.697 -14.620 -8.841 1.00 0.00 C ATOM 236 CD1 TRP A 19 -5.887 -15.680 -9.650 1.00 0.00 C ATOM 237 CD2 TRP A 19 -4.875 -15.100 -7.741 1.00 0.00 C ATOM 238 NE1 TRP A 19 -5.312 -16.797 -9.087 1.00 0.00 N ATOM 239 CE2 TRP A 19 -4.688 -16.503 -7.895 1.00 0.00 C ATOM 240 CE3 TRP A 19 -4.321 -14.499 -6.598 1.00 0.00 C ATOM 241 CZ2 TRP A 19 -4.007 -17.274 -6.942 1.00 0.00 C ATOM 242 CZ3 TRP A 19 -3.655 -15.262 -5.625 1.00 0.00 C ATOM 243 CH2 TRP A 19 -3.483 -16.642 -5.808 1.00 0.00 C ATOM 0 H TRP A 19 -8.758 -11.568 -8.434 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.177 -14.036 -9.863 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.004 -12.822 -9.911 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.066 -12.649 -8.168 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.410 -15.657 -10.595 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.344 -17.728 -9.502 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -4.409 -13.431 -6.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.889 -18.339 -7.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.274 -14.785 -4.734 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -2.944 -17.219 -5.071 1.00 0.00 H new ATOM 254 N THR A 20 -8.445 -15.329 -7.665 1.00 0.00 N ATOM 255 CA THR A 20 -9.231 -16.139 -6.741 1.00 0.00 C ATOM 256 C THR A 20 -8.320 -16.995 -5.852 1.00 0.00 C ATOM 257 O THR A 20 -7.226 -17.394 -6.262 1.00 0.00 O ATOM 258 CB THR A 20 -10.205 -17.003 -7.569 1.00 0.00 C ATOM 259 OG1 THR A 20 -9.529 -17.678 -8.621 1.00 0.00 O ATOM 260 CG2 THR A 20 -11.300 -16.142 -8.204 1.00 0.00 C ATOM 0 H THR A 20 -7.838 -15.895 -8.258 1.00 0.00 H new ATOM 0 HA THR A 20 -9.802 -15.498 -6.069 1.00 0.00 H new ATOM 0 HB THR A 20 -10.642 -17.725 -6.879 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.170 -18.219 -9.128 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.972 -16.776 -8.782 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.863 -15.634 -7.421 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.845 -15.402 -8.862 1.00 0.00 H new ATOM 268 N ALA A 21 -8.767 -17.306 -4.631 1.00 0.00 N ATOM 269 CA ALA A 21 -7.975 -18.075 -3.684 1.00 0.00 C ATOM 270 C ALA A 21 -7.892 -19.531 -4.133 1.00 0.00 C ATOM 271 O ALA A 21 -8.856 -20.075 -4.667 1.00 0.00 O ATOM 272 CB ALA A 21 -8.610 -17.984 -2.291 1.00 0.00 C ATOM 0 H ALA A 21 -9.684 -17.030 -4.279 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.965 -17.666 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.016 -18.561 -1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.643 -16.942 -1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.623 -18.385 -2.326 1.00 0.00 H new ATOM 278 N LYS A 22 -6.731 -20.154 -3.911 1.00 0.00 N ATOM 279 CA LYS A 22 -6.392 -21.518 -4.338 1.00 0.00 C ATOM 280 C LYS A 22 -5.814 -22.339 -3.182 1.00 0.00 C ATOM 281 O LYS A 22 -5.785 -23.567 -3.255 1.00 0.00 O ATOM 282 CB LYS A 22 -5.348 -21.500 -5.472 1.00 0.00 C ATOM 283 CG LYS A 22 -5.556 -20.579 -6.687 1.00 0.00 C ATOM 284 CD LYS A 22 -6.571 -21.048 -7.735 1.00 0.00 C ATOM 285 CE LYS A 22 -8.006 -20.789 -7.275 1.00 0.00 C ATOM 286 NZ LYS A 22 -9.031 -21.222 -8.241 1.00 0.00 N ATOM 0 H LYS A 22 -5.967 -19.703 -3.407 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.319 -21.973 -4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.388 -21.239 -5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.258 -22.519 -5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.869 -19.600 -6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.594 -20.443 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.390 -20.530 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.435 -22.113 -7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.172 -21.304 -6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.129 -19.723 -7.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.976 -21.014 -7.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.899 -20.713 -9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.942 -22.245 -8.407 1.00 0.00 H new ATOM 300 N LYS A 23 -5.334 -21.682 -2.127 1.00 0.00 N ATOM 301 CA LYS A 23 -5.053 -22.285 -0.841 1.00 0.00 C ATOM 302 C LYS A 23 -5.777 -21.447 0.200 1.00 0.00 C ATOM 303 O LYS A 23 -6.210 -20.329 -0.083 1.00 0.00 O ATOM 304 CB LYS A 23 -3.552 -22.362 -0.542 1.00 0.00 C ATOM 305 CG LYS A 23 -2.728 -23.156 -1.566 1.00 0.00 C ATOM 306 CD LYS A 23 -1.531 -23.846 -0.902 1.00 0.00 C ATOM 307 CE LYS A 23 -1.937 -25.055 -0.044 1.00 0.00 C ATOM 308 NZ LYS A 23 -2.247 -26.246 -0.858 1.00 0.00 N ATOM 0 H LYS A 23 -5.126 -20.684 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.401 -23.318 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.155 -21.348 -0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.415 -22.813 0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.361 -23.903 -2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.375 -22.486 -2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.833 -24.172 -1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.003 -23.125 -0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.130 -25.292 0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.807 -24.794 0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.515 -27.033 -0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.035 -26.031 -1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.410 -26.514 -1.413 1.00 0.00 H new ATOM 322 N ASP A 24 -5.870 -21.995 1.401 1.00 0.00 N ATOM 323 CA ASP A 24 -6.726 -21.521 2.481 1.00 0.00 C ATOM 324 C ASP A 24 -6.349 -20.130 2.987 1.00 0.00 C ATOM 325 O ASP A 24 -7.216 -19.399 3.451 1.00 0.00 O ATOM 326 CB ASP A 24 -6.650 -22.547 3.616 1.00 0.00 C ATOM 327 CG ASP A 24 -7.636 -23.687 3.400 1.00 0.00 C ATOM 328 OD1 ASP A 24 -7.536 -24.388 2.364 1.00 0.00 O ATOM 329 OD2 ASP A 24 -8.557 -23.830 4.230 1.00 0.00 O ATOM 0 H ASP A 24 -5.328 -22.818 1.663 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.743 -21.424 2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.638 -22.946 3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.860 -22.057 4.567 1.00 0.00 H new ATOM 334 N ASN A 25 -5.077 -19.736 2.885 1.00 0.00 N ATOM 335 CA ASN A 25 -4.611 -18.397 3.253 1.00 0.00 C ATOM 336 C ASN A 25 -4.283 -17.596 1.992 1.00 0.00 C ATOM 337 O ASN A 25 -3.337 -16.816 2.019 1.00 0.00 O ATOM 338 CB ASN A 25 -3.392 -18.446 4.204 1.00 0.00 C ATOM 339 CG ASN A 25 -3.713 -18.762 5.655 1.00 0.00 C ATOM 340 OD1 ASN A 25 -4.588 -19.570 5.963 1.00 0.00 O ATOM 341 ND2 ASN A 25 -2.906 -18.242 6.565 1.00 0.00 N ATOM 0 H ASN A 25 -4.334 -20.344 2.541 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.416 -17.901 3.795 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.692 -19.194 3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.881 -17.484 4.163 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.002 -18.509 7.545 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.187 -17.574 6.287 1.00 0.00 H new ATOM 348 N HIS A 26 -4.959 -17.796 0.856 1.00 0.00 N ATOM 349 CA HIS A 26 -4.795 -16.893 -0.284 1.00 0.00 C ATOM 350 C HIS A 26 -5.790 -15.736 -0.171 1.00 0.00 C ATOM 351 O HIS A 26 -6.938 -15.931 0.222 1.00 0.00 O ATOM 352 CB HIS A 26 -5.051 -17.600 -1.618 1.00 0.00 C ATOM 353 CG HIS A 26 -3.948 -18.449 -2.182 1.00 0.00 C ATOM 354 ND1 HIS A 26 -3.922 -18.910 -3.477 1.00 0.00 N ATOM 355 CD2 HIS A 26 -2.830 -18.915 -1.544 1.00 0.00 C ATOM 356 CE1 HIS A 26 -2.833 -19.681 -3.608 1.00 0.00 C ATOM 357 NE2 HIS A 26 -2.134 -19.711 -2.462 1.00 0.00 N ATOM 0 H HIS A 26 -5.614 -18.563 0.703 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.765 -16.536 -0.264 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.932 -18.231 -1.499 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.300 -16.840 -2.358 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.540 -18.708 -0.525 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.556 -20.205 -4.511 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -1.264 -20.216 -2.293 1.00 0.00 H new ATOM 365 N LEU A 27 -5.371 -14.542 -0.587 1.00 0.00 N ATOM 366 CA LEU A 27 -6.258 -13.400 -0.790 1.00 0.00 C ATOM 367 C LEU A 27 -7.038 -13.637 -2.094 1.00 0.00 C ATOM 368 O LEU A 27 -6.599 -14.394 -2.968 1.00 0.00 O ATOM 369 CB LEU A 27 -5.374 -12.133 -0.823 1.00 0.00 C ATOM 370 CG LEU A 27 -6.011 -10.745 -0.626 1.00 0.00 C ATOM 371 CD1 LEU A 27 -6.776 -10.278 -1.854 1.00 0.00 C ATOM 372 CD2 LEU A 27 -6.865 -10.672 0.646 1.00 0.00 C ATOM 0 H LEU A 27 -4.393 -14.339 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.991 -13.273 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.610 -12.251 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.861 -12.121 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.185 -10.047 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.205 -9.295 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.097 -10.218 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.575 -10.986 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.292 -9.674 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.668 -11.407 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.242 -10.884 1.515 1.00 0.00 H new ATOM 384 N ASN A 28 -8.166 -12.958 -2.293 1.00 0.00 N ATOM 385 CA ASN A 28 -8.878 -12.897 -3.572 1.00 0.00 C ATOM 386 C ASN A 28 -9.427 -11.488 -3.768 1.00 0.00 C ATOM 387 O ASN A 28 -9.940 -10.896 -2.818 1.00 0.00 O ATOM 388 CB ASN A 28 -9.983 -13.956 -3.652 1.00 0.00 C ATOM 389 CG ASN A 28 -10.921 -13.971 -2.457 1.00 0.00 C ATOM 390 OD1 ASN A 28 -11.962 -13.325 -2.445 1.00 0.00 O ATOM 391 ND2 ASN A 28 -10.599 -14.745 -1.432 1.00 0.00 N ATOM 0 H ASN A 28 -8.622 -12.422 -1.554 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.183 -13.121 -4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.568 -13.787 -4.556 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.522 -14.939 -3.750 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.219 -14.807 -0.625 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.731 -15.280 -1.450 1.00 0.00 H new ATOM 398 N PHE A 29 -9.263 -10.945 -4.973 1.00 0.00 N ATOM 399 CA PHE A 29 -9.526 -9.549 -5.315 1.00 0.00 C ATOM 400 C PHE A 29 -10.090 -9.458 -6.729 1.00 0.00 C ATOM 401 O PHE A 29 -10.009 -10.416 -7.503 1.00 0.00 O ATOM 402 CB PHE A 29 -8.236 -8.708 -5.185 1.00 0.00 C ATOM 403 CG PHE A 29 -6.958 -9.232 -5.840 1.00 0.00 C ATOM 404 CD1 PHE A 29 -6.887 -9.533 -7.215 1.00 0.00 C ATOM 405 CD2 PHE A 29 -5.791 -9.366 -5.066 1.00 0.00 C ATOM 406 CE1 PHE A 29 -5.697 -10.032 -7.776 1.00 0.00 C ATOM 407 CE2 PHE A 29 -4.602 -9.861 -5.626 1.00 0.00 C ATOM 408 CZ PHE A 29 -4.558 -10.216 -6.979 1.00 0.00 C ATOM 0 H PHE A 29 -8.930 -11.488 -5.770 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.263 -9.147 -4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.440 -7.720 -5.599 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.033 -8.573 -4.123 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.752 -9.380 -7.843 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.810 -9.084 -4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.661 -10.275 -8.828 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.720 -9.968 -5.012 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.655 -10.628 -7.405 1.00 0.00 H new ATOM 418 N SER A 30 -10.583 -8.281 -7.097 1.00 0.00 N ATOM 419 CA SER A 30 -10.912 -7.931 -8.464 1.00 0.00 C ATOM 420 C SER A 30 -9.844 -7.040 -9.114 1.00 0.00 C ATOM 421 O SER A 30 -8.943 -6.514 -8.464 1.00 0.00 O ATOM 422 CB SER A 30 -12.270 -7.247 -8.498 1.00 0.00 C ATOM 423 OG SER A 30 -13.216 -8.013 -9.220 1.00 0.00 O ATOM 0 H SER A 30 -10.768 -7.529 -6.433 1.00 0.00 H new ATOM 0 HA SER A 30 -10.947 -8.852 -9.045 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.626 -7.092 -7.480 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.172 -6.262 -8.955 1.00 0.00 H new ATOM 0 HG SER A 30 -12.776 -8.439 -9.985 1.00 0.00 H new ATOM 429 N LYS A 31 -9.958 -6.848 -10.431 1.00 0.00 N ATOM 430 CA LYS A 31 -9.187 -5.861 -11.172 1.00 0.00 C ATOM 431 C LYS A 31 -9.518 -4.485 -10.619 1.00 0.00 C ATOM 432 O LYS A 31 -10.688 -4.146 -10.465 1.00 0.00 O ATOM 433 CB LYS A 31 -9.518 -5.992 -12.665 1.00 0.00 C ATOM 434 CG LYS A 31 -8.521 -5.165 -13.479 1.00 0.00 C ATOM 435 CD LYS A 31 -8.580 -5.476 -14.975 1.00 0.00 C ATOM 436 CE LYS A 31 -7.457 -4.687 -15.649 1.00 0.00 C ATOM 437 NZ LYS A 31 -7.283 -5.065 -17.065 1.00 0.00 N ATOM 0 H LYS A 31 -10.599 -7.384 -11.016 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.114 -6.019 -11.061 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.474 -7.038 -12.969 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.535 -5.648 -12.855 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.722 -4.105 -13.324 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.512 -5.355 -13.112 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.457 -6.545 -15.150 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.549 -5.194 -15.388 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.674 -3.621 -15.583 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.524 -4.856 -15.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.512 -4.505 -17.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.050 -6.077 -17.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.165 -4.880 -17.585 1.00 0.00 H new ATOM 451 N HIS A 32 -8.474 -3.708 -10.360 1.00 0.00 N ATOM 452 CA HIS A 32 -8.489 -2.367 -9.808 1.00 0.00 C ATOM 453 C HIS A 32 -8.804 -2.322 -8.309 1.00 0.00 C ATOM 454 O HIS A 32 -8.811 -1.225 -7.753 1.00 0.00 O ATOM 455 CB HIS A 32 -9.366 -1.389 -10.616 1.00 0.00 C ATOM 456 CG HIS A 32 -9.162 -1.435 -12.111 1.00 0.00 C ATOM 457 ND1 HIS A 32 -10.116 -1.745 -13.056 1.00 0.00 N ATOM 458 CD2 HIS A 32 -7.993 -1.179 -12.769 1.00 0.00 C ATOM 459 CE1 HIS A 32 -9.525 -1.686 -14.263 1.00 0.00 C ATOM 460 NE2 HIS A 32 -8.221 -1.374 -14.138 1.00 0.00 N ATOM 0 H HIS A 32 -7.523 -4.027 -10.546 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.462 -2.016 -9.907 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.413 -1.601 -10.401 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.168 -0.375 -10.268 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.060 -0.880 -12.315 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -10.027 -1.864 -15.202 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.536 -1.295 -14.890 1.00 0.00 H new ATOM 468 N ASP A 33 -9.011 -3.465 -7.642 1.00 0.00 N ATOM 469 CA ASP A 33 -9.226 -3.487 -6.195 1.00 0.00 C ATOM 470 C ASP A 33 -7.996 -2.932 -5.507 1.00 0.00 C ATOM 471 O ASP A 33 -6.873 -3.142 -5.965 1.00 0.00 O ATOM 472 CB ASP A 33 -9.409 -4.908 -5.654 1.00 0.00 C ATOM 473 CG ASP A 33 -10.819 -5.451 -5.776 1.00 0.00 C ATOM 474 OD1 ASP A 33 -11.590 -5.025 -6.657 1.00 0.00 O ATOM 475 OD2 ASP A 33 -11.169 -6.344 -4.978 1.00 0.00 O ATOM 0 H ASP A 33 -9.034 -4.384 -8.084 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.125 -2.902 -6.001 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.729 -5.575 -6.184 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.117 -4.924 -4.604 1.00 0.00 H new ATOM 480 N ILE A 34 -8.194 -2.296 -4.362 1.00 0.00 N ATOM 481 CA ILE A 34 -7.136 -1.778 -3.520 1.00 0.00 C ATOM 482 C ILE A 34 -7.026 -2.715 -2.336 1.00 0.00 C ATOM 483 O ILE A 34 -8.022 -2.945 -1.647 1.00 0.00 O ATOM 484 CB ILE A 34 -7.501 -0.341 -3.110 1.00 0.00 C ATOM 485 CG1 ILE A 34 -7.484 0.599 -4.332 1.00 0.00 C ATOM 486 CG2 ILE A 34 -6.616 0.146 -1.950 1.00 0.00 C ATOM 487 CD1 ILE A 34 -6.085 1.051 -4.712 1.00 0.00 C ATOM 0 H ILE A 34 -9.126 -2.123 -3.985 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.170 -1.732 -4.024 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.523 -0.331 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.939 0.090 -5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.098 1.474 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.896 1.164 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.753 -0.507 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.570 0.127 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.138 1.710 -5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.636 1.587 -3.876 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.475 0.181 -4.955 1.00 0.00 H new ATOM 499 N ILE A 35 -5.831 -3.253 -2.092 1.00 0.00 N ATOM 500 CA ILE A 35 -5.624 -4.222 -1.034 1.00 0.00 C ATOM 501 C ILE A 35 -4.508 -3.671 -0.159 1.00 0.00 C ATOM 502 O ILE A 35 -3.453 -3.249 -0.653 1.00 0.00 O ATOM 503 CB ILE A 35 -5.316 -5.604 -1.647 1.00 0.00 C ATOM 504 CG1 ILE A 35 -6.309 -6.013 -2.758 1.00 0.00 C ATOM 505 CG2 ILE A 35 -5.142 -6.721 -0.598 1.00 0.00 C ATOM 506 CD1 ILE A 35 -5.756 -5.873 -4.172 1.00 0.00 C ATOM 0 H ILE A 35 -4.989 -3.027 -2.622 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.509 -4.373 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.344 -5.480 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.610 -7.048 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.208 -5.403 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.928 -7.663 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.316 -6.470 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.059 -6.821 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.515 -6.180 -4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.482 -4.834 -4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.875 -6.505 -4.282 1.00 0.00 H new ATOM 518 N THR A 36 -4.745 -3.697 1.139 1.00 0.00 N ATOM 519 CA THR A 36 -3.836 -3.291 2.192 1.00 0.00 C ATOM 520 C THR A 36 -2.733 -4.340 2.214 1.00 0.00 C ATOM 521 O THR A 36 -3.000 -5.473 2.601 1.00 0.00 O ATOM 522 CB THR A 36 -4.656 -3.287 3.492 1.00 0.00 C ATOM 523 OG1 THR A 36 -5.701 -2.346 3.385 1.00 0.00 O ATOM 524 CG2 THR A 36 -3.867 -2.947 4.750 1.00 0.00 C ATOM 0 H THR A 36 -5.637 -4.024 1.509 1.00 0.00 H new ATOM 0 HA THR A 36 -3.391 -2.305 2.056 1.00 0.00 H new ATOM 0 HB THR A 36 -5.014 -4.311 3.603 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.225 -2.344 4.213 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.532 -2.970 5.614 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.069 -3.676 4.887 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.435 -1.951 4.651 1.00 0.00 H new ATOM 532 N VAL A 37 -1.535 -4.019 1.734 1.00 0.00 N ATOM 533 CA VAL A 37 -0.377 -4.887 1.893 1.00 0.00 C ATOM 534 C VAL A 37 -0.062 -4.925 3.388 1.00 0.00 C ATOM 535 O VAL A 37 -0.284 -3.942 4.092 1.00 0.00 O ATOM 536 CB VAL A 37 0.830 -4.365 1.086 1.00 0.00 C ATOM 537 CG1 VAL A 37 2.051 -5.290 1.237 1.00 0.00 C ATOM 538 CG2 VAL A 37 0.528 -4.264 -0.415 1.00 0.00 C ATOM 0 H VAL A 37 -1.342 -3.155 1.227 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.589 -5.886 1.513 1.00 0.00 H new ATOM 0 HB VAL A 37 1.041 -3.375 1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.883 -4.892 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.337 -5.347 2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.799 -6.287 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.408 -3.892 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.266 -5.249 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.305 -3.579 -0.573 1.00 0.00 H new ATOM 548 N LEU A 38 0.467 -6.041 3.876 1.00 0.00 N ATOM 549 CA LEU A 38 0.755 -6.243 5.284 1.00 0.00 C ATOM 550 C LEU A 38 2.148 -6.843 5.419 1.00 0.00 C ATOM 551 O LEU A 38 3.029 -6.206 5.996 1.00 0.00 O ATOM 552 CB LEU A 38 -0.329 -7.137 5.910 1.00 0.00 C ATOM 553 CG LEU A 38 -1.742 -6.521 5.938 1.00 0.00 C ATOM 554 CD1 LEU A 38 -2.769 -7.608 6.267 1.00 0.00 C ATOM 555 CD2 LEU A 38 -1.876 -5.365 6.933 1.00 0.00 C ATOM 0 H LEU A 38 0.710 -6.841 3.292 1.00 0.00 H new ATOM 0 HA LEU A 38 0.742 -5.295 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.369 -8.076 5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.034 -7.380 6.931 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.927 -6.106 4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.767 -7.171 6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.729 -8.388 5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.543 -8.039 7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.894 -4.976 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.653 -5.722 7.938 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.177 -4.572 6.666 1.00 0.00 H new ATOM 567 N GLU A 39 2.369 -8.044 4.883 1.00 0.00 N ATOM 568 CA GLU A 39 3.644 -8.757 4.963 1.00 0.00 C ATOM 569 C GLU A 39 4.173 -8.948 3.547 1.00 0.00 C ATOM 570 O GLU A 39 3.393 -8.908 2.591 1.00 0.00 O ATOM 571 CB GLU A 39 3.439 -10.137 5.617 1.00 0.00 C ATOM 572 CG GLU A 39 4.690 -10.701 6.301 1.00 0.00 C ATOM 573 CD GLU A 39 4.944 -10.026 7.648 1.00 0.00 C ATOM 574 OE1 GLU A 39 4.451 -10.526 8.687 1.00 0.00 O ATOM 575 OE2 GLU A 39 5.678 -9.015 7.671 1.00 0.00 O ATOM 0 H GLU A 39 1.652 -8.558 4.371 1.00 0.00 H new ATOM 0 HA GLU A 39 4.350 -8.184 5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.639 -10.062 6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.106 -10.842 4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.573 -11.775 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.555 -10.560 5.653 1.00 0.00 H new ATOM 582 N GLN A 40 5.464 -9.247 3.403 1.00 0.00 N ATOM 583 CA GLN A 40 6.047 -9.592 2.121 1.00 0.00 C ATOM 584 C GLN A 40 6.886 -10.854 2.243 1.00 0.00 C ATOM 585 O GLN A 40 7.489 -11.134 3.278 1.00 0.00 O ATOM 586 CB GLN A 40 6.847 -8.412 1.555 1.00 0.00 C ATOM 587 CG GLN A 40 5.933 -7.191 1.340 1.00 0.00 C ATOM 588 CD GLN A 40 6.554 -6.081 0.504 1.00 0.00 C ATOM 589 OE1 GLN A 40 7.689 -6.139 0.031 1.00 0.00 O ATOM 590 NE2 GLN A 40 5.791 -5.027 0.281 1.00 0.00 N ATOM 0 H GLN A 40 6.129 -9.255 4.176 1.00 0.00 H new ATOM 0 HA GLN A 40 5.247 -9.803 1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.655 -8.152 2.239 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.309 -8.698 0.610 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.013 -7.521 0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.655 -6.785 2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.851 -4.985 0.676 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.141 -4.255 -0.286 1.00 0.00 H new ATOM 599 N GLN A 41 6.905 -11.613 1.155 1.00 0.00 N ATOM 600 CA GLN A 41 7.863 -12.655 0.820 1.00 0.00 C ATOM 601 C GLN A 41 8.510 -12.239 -0.513 1.00 0.00 C ATOM 602 O GLN A 41 8.166 -11.199 -1.091 1.00 0.00 O ATOM 603 CB GLN A 41 7.181 -14.036 0.707 1.00 0.00 C ATOM 604 CG GLN A 41 6.255 -14.407 1.874 1.00 0.00 C ATOM 605 CD GLN A 41 6.573 -15.653 2.681 1.00 0.00 C ATOM 606 OE1 GLN A 41 7.659 -16.217 2.641 1.00 0.00 O ATOM 607 NE2 GLN A 41 5.609 -16.081 3.478 1.00 0.00 N ATOM 0 H GLN A 41 6.196 -11.507 0.429 1.00 0.00 H new ATOM 0 HA GLN A 41 8.614 -12.757 1.603 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.603 -14.063 -0.217 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.955 -14.799 0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.234 -13.562 2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.247 -14.518 1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.711 -15.598 3.497 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.763 -16.894 4.074 1.00 0.00 H new ATOM 616 N GLU A 42 9.408 -13.069 -1.038 1.00 0.00 N ATOM 617 CA GLU A 42 10.179 -12.892 -2.265 1.00 0.00 C ATOM 618 C GLU A 42 9.358 -12.300 -3.416 1.00 0.00 C ATOM 619 O GLU A 42 9.731 -11.286 -4.015 1.00 0.00 O ATOM 620 CB GLU A 42 10.822 -14.242 -2.636 1.00 0.00 C ATOM 621 CG GLU A 42 9.841 -15.413 -2.821 1.00 0.00 C ATOM 622 CD GLU A 42 10.478 -16.736 -3.226 1.00 0.00 C ATOM 623 OE1 GLU A 42 11.711 -16.848 -3.380 1.00 0.00 O ATOM 624 OE2 GLU A 42 9.694 -17.686 -3.452 1.00 0.00 O ATOM 0 H GLU A 42 9.633 -13.952 -0.580 1.00 0.00 H new ATOM 0 HA GLU A 42 10.960 -12.154 -2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.387 -14.114 -3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.538 -14.510 -1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.297 -15.561 -1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.107 -15.135 -3.577 1.00 0.00 H new ATOM 631 N ASN A 43 8.220 -12.926 -3.705 1.00 0.00 N ATOM 632 CA ASN A 43 7.349 -12.620 -4.827 1.00 0.00 C ATOM 633 C ASN A 43 5.879 -12.802 -4.460 1.00 0.00 C ATOM 634 O ASN A 43 5.028 -12.557 -5.313 1.00 0.00 O ATOM 635 CB ASN A 43 7.732 -13.482 -6.045 1.00 0.00 C ATOM 636 CG ASN A 43 8.766 -12.791 -6.922 1.00 0.00 C ATOM 637 OD1 ASN A 43 8.475 -11.756 -7.525 1.00 0.00 O ATOM 638 ND2 ASN A 43 9.967 -13.329 -7.028 1.00 0.00 N ATOM 0 H ASN A 43 7.868 -13.695 -3.135 1.00 0.00 H new ATOM 0 HA ASN A 43 7.485 -11.571 -5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.126 -14.439 -5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.840 -13.696 -6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.673 -12.888 -7.617 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.189 -14.186 -6.521 1.00 0.00 H new ATOM 645 N TRP A 44 5.558 -13.193 -3.224 1.00 0.00 N ATOM 646 CA TRP A 44 4.186 -13.222 -2.721 1.00 0.00 C ATOM 647 C TRP A 44 4.076 -12.248 -1.567 1.00 0.00 C ATOM 648 O TRP A 44 4.996 -12.215 -0.761 1.00 0.00 O ATOM 649 CB TRP A 44 3.811 -14.621 -2.230 1.00 0.00 C ATOM 650 CG TRP A 44 3.491 -15.602 -3.326 1.00 0.00 C ATOM 651 CD1 TRP A 44 4.305 -15.974 -4.340 1.00 0.00 C ATOM 652 CD2 TRP A 44 2.222 -16.266 -3.597 1.00 0.00 C ATOM 653 NE1 TRP A 44 3.631 -16.812 -5.207 1.00 0.00 N ATOM 654 CE2 TRP A 44 2.334 -17.023 -4.797 1.00 0.00 C ATOM 655 CE3 TRP A 44 0.968 -16.266 -2.962 1.00 0.00 C ATOM 656 CZ2 TRP A 44 1.252 -17.739 -5.333 1.00 0.00 C ATOM 657 CZ3 TRP A 44 -0.136 -16.946 -3.498 1.00 0.00 C ATOM 658 CH2 TRP A 44 0.005 -17.683 -4.687 1.00 0.00 C ATOM 0 H TRP A 44 6.250 -13.500 -2.540 1.00 0.00 H new ATOM 0 HA TRP A 44 3.508 -12.947 -3.529 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.634 -15.016 -1.635 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.949 -14.541 -1.568 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.332 -15.661 -4.455 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.042 -17.223 -6.045 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.851 -15.726 -2.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.376 -18.326 -6.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.092 -16.903 -2.998 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.844 -18.205 -5.103 1.00 0.00 H new ATOM 669 N TRP A 45 2.980 -11.501 -1.438 1.00 0.00 N ATOM 670 CA TRP A 45 2.732 -10.582 -0.328 1.00 0.00 C ATOM 671 C TRP A 45 1.472 -11.020 0.385 1.00 0.00 C ATOM 672 O TRP A 45 0.612 -11.648 -0.229 1.00 0.00 O ATOM 673 CB TRP A 45 2.608 -9.137 -0.831 1.00 0.00 C ATOM 674 CG TRP A 45 3.858 -8.528 -1.379 1.00 0.00 C ATOM 675 CD1 TRP A 45 5.081 -9.089 -1.305 1.00 0.00 C ATOM 676 CD2 TRP A 45 4.043 -7.260 -2.075 1.00 0.00 C ATOM 677 NE1 TRP A 45 6.006 -8.278 -1.913 1.00 0.00 N ATOM 678 CE2 TRP A 45 5.419 -7.149 -2.427 1.00 0.00 C ATOM 679 CE3 TRP A 45 3.196 -6.211 -2.489 1.00 0.00 C ATOM 680 CZ2 TRP A 45 5.927 -6.093 -3.187 1.00 0.00 C ATOM 681 CZ3 TRP A 45 3.701 -5.119 -3.222 1.00 0.00 C ATOM 682 CH2 TRP A 45 5.064 -5.055 -3.576 1.00 0.00 C ATOM 0 H TRP A 45 2.221 -11.519 -2.119 1.00 0.00 H new ATOM 0 HA TRP A 45 3.572 -10.608 0.366 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.842 -9.107 -1.606 1.00 0.00 H new ATOM 0 HB3 TRP A 45 2.254 -8.515 -0.009 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.301 -10.037 -0.836 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.002 -8.487 -1.975 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.146 -6.245 -2.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.969 -6.075 -3.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.036 -4.321 -3.516 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.441 -4.216 -4.141 1.00 0.00 H new ATOM 693 N PHE A 46 1.383 -10.716 1.674 1.00 0.00 N ATOM 694 CA PHE A 46 0.169 -10.881 2.449 1.00 0.00 C ATOM 695 C PHE A 46 -0.537 -9.536 2.472 1.00 0.00 C ATOM 696 O PHE A 46 0.125 -8.494 2.523 1.00 0.00 O ATOM 697 CB PHE A 46 0.539 -11.311 3.868 1.00 0.00 C ATOM 698 CG PHE A 46 -0.606 -11.703 4.774 1.00 0.00 C ATOM 699 CD1 PHE A 46 -1.295 -12.907 4.548 1.00 0.00 C ATOM 700 CD2 PHE A 46 -0.932 -10.915 5.892 1.00 0.00 C ATOM 701 CE1 PHE A 46 -2.330 -13.300 5.413 1.00 0.00 C ATOM 702 CE2 PHE A 46 -1.985 -11.291 6.739 1.00 0.00 C ATOM 703 CZ PHE A 46 -2.691 -12.477 6.490 1.00 0.00 C ATOM 0 H PHE A 46 2.164 -10.343 2.213 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.482 -11.641 2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.225 -12.155 3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.084 -10.494 4.341 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.028 -13.531 3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.369 -10.017 6.099 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.847 -14.234 5.249 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.251 -10.669 7.581 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.515 -12.757 7.129 1.00 0.00 H new ATOM 713 N GLY A 47 -1.864 -9.538 2.493 1.00 0.00 N ATOM 714 CA GLY A 47 -2.631 -8.311 2.541 1.00 0.00 C ATOM 715 C GLY A 47 -4.093 -8.581 2.844 1.00 0.00 C ATOM 716 O GLY A 47 -4.497 -9.741 2.934 1.00 0.00 O ATOM 0 H GLY A 47 -2.430 -10.386 2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.216 -7.651 3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.546 -7.790 1.587 1.00 0.00 H new ATOM 720 N GLU A 48 -4.875 -7.514 3.003 1.00 0.00 N ATOM 721 CA GLU A 48 -6.296 -7.526 3.318 1.00 0.00 C ATOM 722 C GLU A 48 -7.070 -6.734 2.266 1.00 0.00 C ATOM 723 O GLU A 48 -6.690 -5.610 1.931 1.00 0.00 O ATOM 724 CB GLU A 48 -6.534 -6.924 4.724 1.00 0.00 C ATOM 725 CG GLU A 48 -8.037 -6.779 5.051 1.00 0.00 C ATOM 726 CD GLU A 48 -8.419 -5.938 6.271 1.00 0.00 C ATOM 727 OE1 GLU A 48 -7.603 -5.145 6.796 1.00 0.00 O ATOM 728 OE2 GLU A 48 -9.611 -5.982 6.655 1.00 0.00 O ATOM 0 H GLU A 48 -4.510 -6.566 2.909 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.651 -8.556 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.061 -7.558 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.055 -5.947 4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.531 -6.350 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.448 -7.779 5.190 1.00 0.00 H new ATOM 735 N VAL A 49 -8.190 -7.288 1.799 1.00 0.00 N ATOM 736 CA VAL A 49 -9.235 -6.537 1.095 1.00 0.00 C ATOM 737 C VAL A 49 -10.580 -7.193 1.394 1.00 0.00 C ATOM 738 O VAL A 49 -10.629 -8.361 1.783 1.00 0.00 O ATOM 739 CB VAL A 49 -8.925 -6.400 -0.409 1.00 0.00 C ATOM 740 CG1 VAL A 49 -8.817 -7.756 -1.098 1.00 0.00 C ATOM 741 CG2 VAL A 49 -9.878 -5.504 -1.202 1.00 0.00 C ATOM 0 H VAL A 49 -8.401 -8.281 1.899 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.274 -5.509 1.456 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.958 -5.896 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.598 -7.610 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.016 -8.335 -0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.760 -8.293 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.568 -5.478 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.891 -5.900 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.854 -4.494 -0.792 1.00 0.00 H new ATOM 751 N HIS A 50 -11.672 -6.439 1.268 1.00 0.00 N ATOM 752 CA HIS A 50 -13.066 -6.867 1.383 1.00 0.00 C ATOM 753 C HIS A 50 -13.492 -7.240 2.803 1.00 0.00 C ATOM 754 O HIS A 50 -14.679 -7.132 3.104 1.00 0.00 O ATOM 755 CB HIS A 50 -13.410 -7.978 0.370 1.00 0.00 C ATOM 756 CG HIS A 50 -13.723 -7.448 -1.004 1.00 0.00 C ATOM 757 ND1 HIS A 50 -14.905 -6.838 -1.353 1.00 0.00 N ATOM 758 CD2 HIS A 50 -12.946 -7.535 -2.128 1.00 0.00 C ATOM 759 CE1 HIS A 50 -14.851 -6.561 -2.665 1.00 0.00 C ATOM 760 NE2 HIS A 50 -13.683 -6.980 -3.182 1.00 0.00 N ATOM 0 H HIS A 50 -11.600 -5.441 1.069 1.00 0.00 H new ATOM 0 HA HIS A 50 -13.657 -5.987 1.130 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.572 -8.672 0.303 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -14.265 -8.545 0.738 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.952 -7.953 -2.190 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.634 -6.072 -3.225 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.389 -6.908 -4.156 1.00 0.00 H new ATOM 768 N GLY A 51 -12.567 -7.580 3.696 1.00 0.00 N ATOM 769 CA GLY A 51 -12.859 -8.214 4.973 1.00 0.00 C ATOM 770 C GLY A 51 -12.212 -9.595 5.065 1.00 0.00 C ATOM 771 O GLY A 51 -12.561 -10.370 5.959 1.00 0.00 O ATOM 0 H GLY A 51 -11.571 -7.418 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.496 -7.585 5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.938 -8.306 5.098 1.00 0.00 H new ATOM 775 N GLY A 52 -11.276 -9.928 4.172 1.00 0.00 N ATOM 776 CA GLY A 52 -10.429 -11.095 4.296 1.00 0.00 C ATOM 777 C GLY A 52 -8.978 -10.740 4.024 1.00 0.00 C ATOM 778 O GLY A 52 -8.648 -9.639 3.585 1.00 0.00 O ATOM 0 H GLY A 52 -11.090 -9.379 3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.524 -11.514 5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.757 -11.864 3.597 1.00 0.00 H new ATOM 782 N ARG A 53 -8.100 -11.678 4.356 1.00 0.00 N ATOM 783 CA ARG A 53 -6.661 -11.525 4.514 1.00 0.00 C ATOM 784 C ARG A 53 -5.988 -12.775 3.985 1.00 0.00 C ATOM 785 O ARG A 53 -6.377 -13.881 4.374 1.00 0.00 O ATOM 786 CB ARG A 53 -6.291 -11.343 6.000 1.00 0.00 C ATOM 787 CG ARG A 53 -5.808 -9.946 6.335 1.00 0.00 C ATOM 788 CD ARG A 53 -5.169 -9.868 7.731 1.00 0.00 C ATOM 789 NE ARG A 53 -6.179 -9.705 8.779 1.00 0.00 N ATOM 790 CZ ARG A 53 -6.829 -8.576 9.067 1.00 0.00 C ATOM 791 NH1 ARG A 53 -6.542 -7.443 8.425 1.00 0.00 N ATOM 792 NH2 ARG A 53 -7.781 -8.602 9.982 1.00 0.00 N ATOM 0 H ARG A 53 -8.399 -12.637 4.535 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.331 -10.643 3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.161 -11.575 6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.514 -12.061 6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.082 -9.626 5.587 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.647 -9.252 6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.592 -10.774 7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.470 -9.032 7.766 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.406 -10.527 9.338 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.819 -7.434 7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.045 -6.586 8.653 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.009 -9.476 10.456 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.288 -7.748 10.215 1.00 0.00 H new ATOM 806 N GLY A 54 -4.953 -12.632 3.170 1.00 0.00 N ATOM 807 CA GLY A 54 -4.265 -13.777 2.613 1.00 0.00 C ATOM 808 C GLY A 54 -3.056 -13.358 1.798 1.00 0.00 C ATOM 809 O GLY A 54 -2.794 -12.173 1.593 1.00 0.00 O ATOM 0 H GLY A 54 -4.574 -11.730 2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.950 -14.440 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.951 -14.344 1.983 1.00 0.00 H new ATOM 813 N TRP A 55 -2.317 -14.359 1.343 1.00 0.00 N ATOM 814 CA TRP A 55 -1.158 -14.261 0.485 1.00 0.00 C ATOM 815 C TRP A 55 -1.571 -14.196 -0.975 1.00 0.00 C ATOM 816 O TRP A 55 -2.610 -14.741 -1.357 1.00 0.00 O ATOM 817 CB TRP A 55 -0.289 -15.490 0.730 1.00 0.00 C ATOM 818 CG TRP A 55 0.431 -15.437 2.026 1.00 0.00 C ATOM 819 CD1 TRP A 55 0.058 -16.034 3.181 1.00 0.00 C ATOM 820 CD2 TRP A 55 1.626 -14.659 2.315 1.00 0.00 C ATOM 821 NE1 TRP A 55 0.972 -15.701 4.162 1.00 0.00 N ATOM 822 CE2 TRP A 55 1.922 -14.808 3.702 1.00 0.00 C ATOM 823 CE3 TRP A 55 2.477 -13.820 1.557 1.00 0.00 C ATOM 824 CZ2 TRP A 55 2.982 -14.118 4.312 1.00 0.00 C ATOM 825 CZ3 TRP A 55 3.484 -13.092 2.167 1.00 0.00 C ATOM 826 CH2 TRP A 55 3.753 -13.228 3.542 1.00 0.00 C ATOM 0 H TRP A 55 -2.531 -15.327 1.584 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.605 -13.350 0.712 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.914 -16.382 0.703 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.435 -15.584 -0.079 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.808 -16.665 3.314 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.949 -16.070 5.113 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.339 -13.747 0.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.203 -14.269 5.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.074 -12.407 1.577 1.00 0.00 H new ATOM 0 HH2 TRP A 55 4.544 -12.654 4.002 1.00 0.00 H new ATOM 837 N PHE A 56 -0.736 -13.585 -1.809 1.00 0.00 N ATOM 838 CA PHE A 56 -0.996 -13.501 -3.245 1.00 0.00 C ATOM 839 C PHE A 56 0.317 -13.261 -3.992 1.00 0.00 C ATOM 840 O PHE A 56 1.216 -12.646 -3.413 1.00 0.00 O ATOM 841 CB PHE A 56 -2.011 -12.375 -3.500 1.00 0.00 C ATOM 842 CG PHE A 56 -1.604 -11.035 -2.930 1.00 0.00 C ATOM 843 CD1 PHE A 56 -0.785 -10.167 -3.671 1.00 0.00 C ATOM 844 CD2 PHE A 56 -2.004 -10.684 -1.629 1.00 0.00 C ATOM 845 CE1 PHE A 56 -0.352 -8.958 -3.101 1.00 0.00 C ATOM 846 CE2 PHE A 56 -1.592 -9.463 -1.073 1.00 0.00 C ATOM 847 CZ PHE A 56 -0.757 -8.604 -1.803 1.00 0.00 C ATOM 0 H PHE A 56 0.132 -13.138 -1.514 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.418 -14.436 -3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.159 -12.271 -4.575 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.972 -12.663 -3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.489 -10.428 -4.676 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.629 -11.354 -1.057 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.294 -8.299 -3.662 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.918 -9.184 -0.082 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.426 -7.672 -1.368 1.00 0.00 H new ATOM 857 N PRO A 57 0.465 -13.707 -5.255 1.00 0.00 N ATOM 858 CA PRO A 57 1.628 -13.366 -6.057 1.00 0.00 C ATOM 859 C PRO A 57 1.618 -11.859 -6.301 1.00 0.00 C ATOM 860 O PRO A 57 0.703 -11.335 -6.940 1.00 0.00 O ATOM 861 CB PRO A 57 1.526 -14.152 -7.367 1.00 0.00 C ATOM 862 CG PRO A 57 0.205 -14.916 -7.308 1.00 0.00 C ATOM 863 CD PRO A 57 -0.510 -14.433 -6.052 1.00 0.00 C ATOM 0 HA PRO A 57 2.564 -13.622 -5.560 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.549 -13.481 -8.226 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.367 -14.837 -7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.396 -14.723 -8.197 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.379 -15.991 -7.268 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.351 -13.790 -6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.914 -15.276 -5.491 1.00 0.00 H new ATOM 871 N LYS A 58 2.620 -11.140 -5.794 1.00 0.00 N ATOM 872 CA LYS A 58 2.649 -9.686 -5.887 1.00 0.00 C ATOM 873 C LYS A 58 2.657 -9.205 -7.337 1.00 0.00 C ATOM 874 O LYS A 58 2.303 -8.059 -7.578 1.00 0.00 O ATOM 875 CB LYS A 58 3.847 -9.101 -5.117 1.00 0.00 C ATOM 876 CG LYS A 58 5.104 -9.030 -5.999 1.00 0.00 C ATOM 877 CD LYS A 58 6.332 -8.540 -5.246 1.00 0.00 C ATOM 878 CE LYS A 58 7.593 -8.914 -5.993 1.00 0.00 C ATOM 879 NZ LYS A 58 8.828 -8.641 -5.234 1.00 0.00 N ATOM 0 H LYS A 58 3.423 -11.546 -5.314 1.00 0.00 H new ATOM 0 HA LYS A 58 1.732 -9.322 -5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.597 -8.103 -4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.051 -9.714 -4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.308 -10.018 -6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.913 -8.366 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.283 -7.458 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.351 -8.975 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.557 -9.974 -6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.625 -8.365 -6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.553 -8.261 -5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.629 -7.947 -4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.174 -9.523 -4.805 1.00 0.00 H new ATOM 893 N SER A 59 3.097 -10.016 -8.305 1.00 0.00 N ATOM 894 CA SER A 59 3.188 -9.545 -9.679 1.00 0.00 C ATOM 895 C SER A 59 1.786 -9.326 -10.267 1.00 0.00 C ATOM 896 O SER A 59 1.651 -8.733 -11.335 1.00 0.00 O ATOM 897 CB SER A 59 4.074 -10.493 -10.494 1.00 0.00 C ATOM 898 OG SER A 59 3.655 -11.845 -10.394 1.00 0.00 O ATOM 0 H SER A 59 3.389 -10.983 -8.161 1.00 0.00 H new ATOM 0 HA SER A 59 3.672 -8.569 -9.715 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.061 -10.188 -11.540 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.105 -10.408 -10.150 1.00 0.00 H new ATOM 0 HG SER A 59 4.248 -12.412 -10.931 1.00 0.00 H new ATOM 904 N TYR A 60 0.731 -9.764 -9.570 1.00 0.00 N ATOM 905 CA TYR A 60 -0.647 -9.490 -9.928 1.00 0.00 C ATOM 906 C TYR A 60 -1.101 -8.105 -9.451 1.00 0.00 C ATOM 907 O TYR A 60 -2.251 -7.754 -9.720 1.00 0.00 O ATOM 908 CB TYR A 60 -1.570 -10.571 -9.336 1.00 0.00 C ATOM 909 CG TYR A 60 -1.503 -11.946 -9.978 1.00 0.00 C ATOM 910 CD1 TYR A 60 -0.275 -12.618 -10.132 1.00 0.00 C ATOM 911 CD2 TYR A 60 -2.692 -12.584 -10.383 1.00 0.00 C ATOM 912 CE1 TYR A 60 -0.220 -13.901 -10.685 1.00 0.00 C ATOM 913 CE2 TYR A 60 -2.650 -13.871 -10.944 1.00 0.00 C ATOM 914 CZ TYR A 60 -1.411 -14.535 -11.096 1.00 0.00 C ATOM 915 OH TYR A 60 -1.362 -15.783 -11.633 1.00 0.00 O ATOM 0 H TYR A 60 0.824 -10.329 -8.726 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.710 -9.504 -11.016 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.335 -10.677 -8.277 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.598 -10.214 -9.400 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.638 -12.135 -9.818 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.640 -12.081 -10.262 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.729 -14.404 -10.797 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.564 -14.353 -11.259 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.269 -16.076 -11.862 1.00 0.00 H new ATOM 925 N VAL A 61 -0.266 -7.334 -8.744 1.00 0.00 N ATOM 926 CA VAL A 61 -0.624 -6.074 -8.096 1.00 0.00 C ATOM 927 C VAL A 61 0.483 -5.036 -8.335 1.00 0.00 C ATOM 928 O VAL A 61 1.518 -5.352 -8.925 1.00 0.00 O ATOM 929 CB VAL A 61 -0.919 -6.303 -6.592 1.00 0.00 C ATOM 930 CG1 VAL A 61 -1.810 -7.538 -6.350 1.00 0.00 C ATOM 931 CG2 VAL A 61 0.333 -6.443 -5.700 1.00 0.00 C ATOM 0 H VAL A 61 0.713 -7.583 -8.604 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.540 -5.679 -8.535 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.439 -5.390 -6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.987 -7.655 -5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.762 -7.406 -6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.311 -8.428 -6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.027 -6.600 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.926 -7.293 -6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.931 -5.534 -5.767 1.00 0.00 H new ATOM 941 N LYS A 62 0.305 -3.799 -7.853 1.00 0.00 N ATOM 942 CA LYS A 62 1.377 -2.803 -7.824 1.00 0.00 C ATOM 943 C LYS A 62 1.233 -1.858 -6.636 1.00 0.00 C ATOM 944 O LYS A 62 0.112 -1.487 -6.289 1.00 0.00 O ATOM 945 CB LYS A 62 1.400 -2.023 -9.144 1.00 0.00 C ATOM 946 CG LYS A 62 0.076 -1.303 -9.480 1.00 0.00 C ATOM 947 CD LYS A 62 0.240 -0.387 -10.696 1.00 0.00 C ATOM 948 CE LYS A 62 1.062 0.821 -10.244 1.00 0.00 C ATOM 949 NZ LYS A 62 1.264 1.815 -11.309 1.00 0.00 N ATOM 0 H LYS A 62 -0.581 -3.465 -7.475 1.00 0.00 H new ATOM 0 HA LYS A 62 2.326 -3.326 -7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.201 -1.285 -9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.642 -2.710 -9.955 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.702 -2.040 -9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.251 -0.717 -8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.742 -0.912 -11.508 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.732 -0.071 -11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.562 1.298 -9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.033 0.478 -9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.827 2.608 -10.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.767 1.373 -12.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.341 2.167 -11.635 1.00 0.00 H new ATOM 963 N ILE A 63 2.350 -1.443 -6.034 1.00 0.00 N ATOM 964 CA ILE A 63 2.389 -0.467 -4.946 1.00 0.00 C ATOM 965 C ILE A 63 1.872 0.873 -5.459 1.00 0.00 C ATOM 966 O ILE A 63 2.170 1.300 -6.582 1.00 0.00 O ATOM 967 CB ILE A 63 3.833 -0.353 -4.392 1.00 0.00 C ATOM 968 CG1 ILE A 63 4.123 -1.557 -3.473 1.00 0.00 C ATOM 969 CG2 ILE A 63 4.168 1.010 -3.739 1.00 0.00 C ATOM 970 CD1 ILE A 63 5.353 -1.449 -2.551 1.00 0.00 C ATOM 0 H ILE A 63 3.274 -1.786 -6.297 1.00 0.00 H new ATOM 0 HA ILE A 63 1.748 -0.790 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 63 4.512 -0.387 -5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.245 -1.727 -2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.245 -2.441 -4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.197 0.998 -3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.049 1.805 -4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.494 1.187 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.445 -2.359 -1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.250 -1.318 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.235 -0.593 -1.886 1.00 0.00 H new ATOM 982 N ILE A 64 1.183 1.588 -4.574 1.00 0.00 N ATOM 983 CA ILE A 64 0.564 2.873 -4.847 1.00 0.00 C ATOM 984 C ILE A 64 1.216 3.922 -3.930 1.00 0.00 C ATOM 985 O ILE A 64 1.625 3.582 -2.815 1.00 0.00 O ATOM 986 CB ILE A 64 -0.964 2.821 -4.633 1.00 0.00 C ATOM 987 CG1 ILE A 64 -1.602 1.431 -4.771 1.00 0.00 C ATOM 988 CG2 ILE A 64 -1.658 3.732 -5.657 1.00 0.00 C ATOM 989 CD1 ILE A 64 -2.959 1.420 -4.090 1.00 0.00 C ATOM 0 H ILE A 64 1.038 1.274 -3.615 1.00 0.00 H new ATOM 0 HA ILE A 64 0.722 3.141 -5.892 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.105 3.142 -3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.711 1.173 -5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.954 0.677 -4.324 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.737 3.695 -5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.309 4.756 -5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.422 3.392 -6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.408 0.432 -4.190 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.838 1.658 -3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.606 2.162 -4.557 1.00 0.00 H new ATOM 1001 N PRO A 65 1.376 5.173 -4.393 1.00 0.00 N ATOM 1002 CA PRO A 65 2.147 6.169 -3.669 1.00 0.00 C ATOM 1003 C PRO A 65 1.466 6.784 -2.444 1.00 0.00 C ATOM 1004 O PRO A 65 2.170 7.181 -1.517 1.00 0.00 O ATOM 1005 CB PRO A 65 2.546 7.241 -4.688 1.00 0.00 C ATOM 1006 CG PRO A 65 1.685 6.986 -5.919 1.00 0.00 C ATOM 1007 CD PRO A 65 1.169 5.567 -5.770 1.00 0.00 C ATOM 0 HA PRO A 65 3.010 5.667 -3.231 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.374 8.241 -4.291 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.606 7.173 -4.932 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.862 7.698 -5.976 1.00 0.00 H new ATOM 0 HG3 PRO A 65 2.267 7.097 -6.834 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.112 5.514 -6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.697 4.894 -6.445 1.00 0.00 H new