USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 506 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 11 CYS SG : rot 73:sc= 0.182 USER MOD Set 1.2: A 63 MET CE :methyl 180:sc=-0.00094 (180deg=0) USER MOD Set 2.1: A 17 SER OG : rot -74:sc= 1.41 USER MOD Set 2.2: A 20 THR OG1 : rot -87:sc= 2.3 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 170:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 53:sc= 1.22 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -11:sc= 0.501 USER MOD Single : A 56 SER OG : rot 76:sc= 1.26 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 59 ASN : amide:sc= 0.0464 X(o=0.046,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.0169 K(o=-0.017,f=-0.7) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0205 K(o=-0.021,f=-0.56) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 100 N TYR A 9 7.572 -0.087 -10.778 1.00 0.00 N ATOM 101 CA TYR A 9 7.868 -0.396 -9.373 1.00 0.00 C ATOM 102 C TYR A 9 6.717 0.057 -8.445 1.00 0.00 C ATOM 103 O TYR A 9 6.744 1.139 -7.852 1.00 0.00 O ATOM 104 CB TYR A 9 9.260 0.165 -9.002 1.00 0.00 C ATOM 105 CG TYR A 9 9.782 1.385 -9.764 1.00 0.00 C ATOM 106 CD1 TYR A 9 8.970 2.519 -9.994 1.00 0.00 C ATOM 107 CD2 TYR A 9 11.124 1.401 -10.196 1.00 0.00 C ATOM 108 CE1 TYR A 9 9.497 3.653 -10.640 1.00 0.00 C ATOM 109 CE2 TYR A 9 11.665 2.545 -10.813 1.00 0.00 C ATOM 110 CZ TYR A 9 10.853 3.679 -11.024 1.00 0.00 C ATOM 111 OH TYR A 9 11.375 4.799 -11.589 1.00 0.00 O ATOM 0 HA TYR A 9 7.925 -1.475 -9.228 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.244 0.418 -7.942 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.985 -0.639 -9.126 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.939 2.515 -9.672 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.743 0.528 -10.052 1.00 0.00 H new ATOM 0 HE1 TYR A 9 8.862 4.503 -10.841 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.699 2.554 -11.124 1.00 0.00 H new ATOM 0 HH TYR A 9 12.322 4.651 -11.794 1.00 0.00 H new ATOM 121 N ARG A 10 5.655 -0.758 -8.366 1.00 0.00 N ATOM 122 CA ARG A 10 4.416 -0.511 -7.595 1.00 0.00 C ATOM 123 C ARG A 10 3.814 -1.814 -7.049 1.00 0.00 C ATOM 124 O ARG A 10 3.896 -2.851 -7.709 1.00 0.00 O ATOM 125 CB ARG A 10 3.431 0.267 -8.495 1.00 0.00 C ATOM 126 CG ARG A 10 2.069 0.595 -7.857 1.00 0.00 C ATOM 127 CD ARG A 10 1.187 1.465 -8.767 1.00 0.00 C ATOM 128 NE ARG A 10 1.489 2.900 -8.628 1.00 0.00 N ATOM 129 CZ ARG A 10 2.307 3.651 -9.341 1.00 0.00 C ATOM 130 NH1 ARG A 10 2.969 3.262 -10.389 1.00 0.00 N ATOM 131 NH2 ARG A 10 2.481 4.888 -8.993 1.00 0.00 N ATOM 0 H ARG A 10 5.630 -1.651 -8.859 1.00 0.00 H new ATOM 0 HA ARG A 10 4.643 0.091 -6.715 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.904 1.200 -8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.258 -0.313 -9.401 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.545 -0.333 -7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.230 1.111 -6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.331 1.164 -9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.138 1.291 -8.527 1.00 0.00 H new ATOM 0 HE ARG A 10 0.997 3.381 -7.875 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.877 2.303 -10.723 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.580 3.916 -10.878 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.990 5.263 -8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.109 5.486 -9.531 1.00 0.00 H new ATOM 145 N CYS A 11 3.135 -1.768 -5.901 1.00 0.00 N ATOM 146 CA CYS A 11 2.344 -2.893 -5.380 1.00 0.00 C ATOM 147 C CYS A 11 0.980 -2.456 -4.816 1.00 0.00 C ATOM 148 O CYS A 11 0.805 -1.304 -4.413 1.00 0.00 O ATOM 149 CB CYS A 11 3.189 -3.706 -4.379 1.00 0.00 C ATOM 150 SG CYS A 11 3.007 -3.144 -2.658 1.00 0.00 S ATOM 0 H CYS A 11 3.116 -0.944 -5.300 1.00 0.00 H new ATOM 0 HA CYS A 11 2.092 -3.550 -6.213 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.904 -4.756 -4.443 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.239 -3.643 -4.665 1.00 0.00 H new ATOM 0 HG CYS A 11 1.839 -3.496 -2.208 1.00 0.00 H new ATOM 156 N PHE A 12 0.026 -3.387 -4.789 1.00 0.00 N ATOM 157 CA PHE A 12 -1.235 -3.324 -4.042 1.00 0.00 C ATOM 158 C PHE A 12 -1.028 -3.595 -2.540 1.00 0.00 C ATOM 159 O PHE A 12 -0.144 -4.370 -2.163 1.00 0.00 O ATOM 160 CB PHE A 12 -2.194 -4.355 -4.658 1.00 0.00 C ATOM 161 CG PHE A 12 -3.522 -4.529 -3.941 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.632 -3.741 -4.302 1.00 0.00 C ATOM 163 CD2 PHE A 12 -3.652 -5.483 -2.912 1.00 0.00 C ATOM 164 CE1 PHE A 12 -5.863 -3.916 -3.646 1.00 0.00 C ATOM 165 CE2 PHE A 12 -4.880 -5.646 -2.246 1.00 0.00 C ATOM 166 CZ PHE A 12 -5.988 -4.867 -2.617 1.00 0.00 C ATOM 0 H PHE A 12 0.116 -4.255 -5.317 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.653 -2.320 -4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.394 -4.067 -5.690 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.689 -5.321 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.537 -3.002 -5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.805 -6.092 -2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.716 -3.318 -3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.971 -6.370 -1.450 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.934 -4.998 -2.113 1.00 0.00 H new ATOM 176 N VAL A 13 -1.877 -2.992 -1.702 1.00 0.00 N ATOM 177 CA VAL A 13 -1.980 -3.217 -0.249 1.00 0.00 C ATOM 178 C VAL A 13 -3.445 -3.173 0.198 1.00 0.00 C ATOM 179 O VAL A 13 -4.137 -2.198 -0.094 1.00 0.00 O ATOM 180 CB VAL A 13 -1.186 -2.169 0.566 1.00 0.00 C ATOM 181 CG1 VAL A 13 0.262 -2.606 0.785 1.00 0.00 C ATOM 182 CG2 VAL A 13 -1.176 -0.758 -0.036 1.00 0.00 C ATOM 0 H VAL A 13 -2.547 -2.297 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.553 -4.201 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.724 -2.116 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.789 -1.845 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.279 -3.550 1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.753 -2.735 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.596 -0.093 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.727 -0.789 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.198 -0.387 -0.112 1.00 0.00 H new ATOM 192 N GLY A 14 -3.907 -4.176 0.953 1.00 0.00 N ATOM 193 CA GLY A 14 -5.241 -4.178 1.585 1.00 0.00 C ATOM 194 C GLY A 14 -5.180 -4.340 3.108 1.00 0.00 C ATOM 195 O GLY A 14 -4.636 -5.337 3.593 1.00 0.00 O ATOM 0 H GLY A 14 -3.365 -5.018 1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.753 -3.246 1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.836 -4.987 1.162 1.00 0.00 H new ATOM 199 N SER A 15 -5.744 -3.376 3.848 1.00 0.00 N ATOM 200 CA SER A 15 -5.776 -3.315 5.330 1.00 0.00 C ATOM 201 C SER A 15 -6.559 -2.127 5.920 1.00 0.00 C ATOM 202 O SER A 15 -6.973 -2.197 7.078 1.00 0.00 O ATOM 203 CB SER A 15 -4.353 -3.178 5.905 1.00 0.00 C ATOM 204 OG SER A 15 -3.625 -2.145 5.264 1.00 0.00 O ATOM 0 H SER A 15 -6.213 -2.579 3.419 1.00 0.00 H new ATOM 0 HA SER A 15 -6.272 -4.246 5.606 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.411 -2.973 6.974 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.822 -4.123 5.790 1.00 0.00 H new ATOM 0 HG SER A 15 -2.794 -1.978 5.755 1.00 0.00 H new ATOM 210 N LEU A 16 -6.710 -1.023 5.175 1.00 0.00 N ATOM 211 CA LEU A 16 -7.072 0.307 5.684 1.00 0.00 C ATOM 212 C LEU A 16 -8.495 0.391 6.267 1.00 0.00 C ATOM 213 O LEU A 16 -9.339 -0.491 6.098 1.00 0.00 O ATOM 214 CB LEU A 16 -6.844 1.394 4.606 1.00 0.00 C ATOM 215 CG LEU A 16 -5.528 1.355 3.821 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.507 2.569 2.899 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.288 1.401 4.701 1.00 0.00 C ATOM 0 H LEU A 16 -6.578 -1.032 4.164 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.402 0.494 6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.663 1.333 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.916 2.367 5.091 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.495 0.409 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.581 2.573 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.357 2.524 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.567 3.480 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.396 1.370 4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.290 2.322 5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.288 0.544 5.375 1.00 0.00 H new ATOM 229 N SER A 17 -8.746 1.497 6.963 1.00 0.00 N ATOM 230 CA SER A 17 -9.869 1.686 7.895 1.00 0.00 C ATOM 231 C SER A 17 -10.424 3.113 7.846 1.00 0.00 C ATOM 232 O SER A 17 -9.856 3.976 7.172 1.00 0.00 O ATOM 233 CB SER A 17 -9.393 1.367 9.319 1.00 0.00 C ATOM 234 OG SER A 17 -8.527 2.380 9.807 1.00 0.00 O ATOM 0 H SER A 17 -8.152 2.323 6.895 1.00 0.00 H new ATOM 0 HA SER A 17 -10.673 1.013 7.598 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.254 1.270 9.981 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.876 0.407 9.327 1.00 0.00 H new ATOM 0 HG SER A 17 -7.652 2.300 9.372 1.00 0.00 H new ATOM 240 N TRP A 18 -11.482 3.395 8.615 1.00 0.00 N ATOM 241 CA TRP A 18 -11.970 4.758 8.877 1.00 0.00 C ATOM 242 C TRP A 18 -10.890 5.760 9.351 1.00 0.00 C ATOM 243 O TRP A 18 -11.103 6.967 9.201 1.00 0.00 O ATOM 244 CB TRP A 18 -13.086 4.691 9.935 1.00 0.00 C ATOM 245 CG TRP A 18 -12.606 4.423 11.335 1.00 0.00 C ATOM 246 CD1 TRP A 18 -12.236 3.221 11.834 1.00 0.00 C ATOM 247 CD2 TRP A 18 -12.348 5.388 12.402 1.00 0.00 C ATOM 248 NE1 TRP A 18 -11.735 3.375 13.112 1.00 0.00 N ATOM 249 CE2 TRP A 18 -11.794 4.689 13.519 1.00 0.00 C ATOM 250 CE3 TRP A 18 -12.482 6.789 12.525 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -11.390 5.344 14.688 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -12.078 7.458 13.697 1.00 0.00 C ATOM 253 CH2 TRP A 18 -11.532 6.740 14.776 1.00 0.00 C ATOM 0 H TRP A 18 -12.033 2.674 9.081 1.00 0.00 H new ATOM 0 HA TRP A 18 -12.328 5.137 7.919 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.633 5.634 9.927 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -13.791 3.910 9.651 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.320 2.280 11.310 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -11.368 2.613 13.682 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -12.901 7.356 11.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -10.974 4.784 15.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -12.188 8.530 13.767 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -11.222 7.260 15.671 1.00 0.00 H new ATOM 264 N ASN A 19 -9.764 5.286 9.912 1.00 0.00 N ATOM 265 CA ASN A 19 -8.704 6.101 10.525 1.00 0.00 C ATOM 266 C ASN A 19 -7.347 6.065 9.778 1.00 0.00 C ATOM 267 O ASN A 19 -6.529 6.962 9.980 1.00 0.00 O ATOM 268 CB ASN A 19 -8.563 5.646 11.992 1.00 0.00 C ATOM 269 CG ASN A 19 -7.798 6.633 12.855 1.00 0.00 C ATOM 270 OD1 ASN A 19 -8.312 7.664 13.262 1.00 0.00 O ATOM 271 ND2 ASN A 19 -6.557 6.373 13.176 1.00 0.00 N ATOM 0 H ASN A 19 -9.561 4.287 9.952 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.000 7.148 10.462 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.556 5.497 12.416 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.056 4.681 12.019 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.033 7.027 13.758 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.113 5.517 12.844 1.00 0.00 H new ATOM 278 N THR A 20 -7.088 5.058 8.931 1.00 0.00 N ATOM 279 CA THR A 20 -5.821 4.900 8.170 1.00 0.00 C ATOM 280 C THR A 20 -5.870 5.591 6.802 1.00 0.00 C ATOM 281 O THR A 20 -6.938 5.682 6.194 1.00 0.00 O ATOM 282 CB THR A 20 -5.434 3.423 7.930 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.004 2.541 8.878 1.00 0.00 O ATOM 284 CG2 THR A 20 -3.919 3.210 7.962 1.00 0.00 C ATOM 0 H THR A 20 -7.759 4.313 8.746 1.00 0.00 H new ATOM 0 HA THR A 20 -5.070 5.372 8.804 1.00 0.00 H new ATOM 0 HB THR A 20 -5.828 3.197 6.939 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.416 2.476 9.659 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.696 2.157 7.789 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.450 3.813 7.184 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.530 3.508 8.936 1.00 0.00 H new ATOM 292 N ASP A 21 -4.716 5.993 6.262 1.00 0.00 N ATOM 293 CA ASP A 21 -4.571 6.454 4.873 1.00 0.00 C ATOM 294 C ASP A 21 -3.224 6.027 4.236 1.00 0.00 C ATOM 295 O ASP A 21 -2.413 5.336 4.858 1.00 0.00 O ATOM 296 CB ASP A 21 -4.669 7.994 4.826 1.00 0.00 C ATOM 297 CG ASP A 21 -6.014 8.578 5.227 1.00 0.00 C ATOM 298 OD1 ASP A 21 -6.911 8.664 4.361 1.00 0.00 O ATOM 299 OD2 ASP A 21 -6.134 9.071 6.373 1.00 0.00 O ATOM 0 H ASP A 21 -3.840 6.009 6.784 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.374 5.990 4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.903 8.409 5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.437 8.324 3.814 1.00 0.00 H new ATOM 304 N ASP A 22 -2.943 6.517 3.017 1.00 0.00 N ATOM 305 CA ASP A 22 -1.599 6.546 2.409 1.00 0.00 C ATOM 306 C ASP A 22 -0.507 7.053 3.370 1.00 0.00 C ATOM 307 O ASP A 22 0.603 6.526 3.363 1.00 0.00 O ATOM 308 CB ASP A 22 -1.575 7.407 1.120 1.00 0.00 C ATOM 309 CG ASP A 22 -2.115 8.842 1.233 1.00 0.00 C ATOM 310 OD1 ASP A 22 -2.715 9.226 2.262 1.00 0.00 O ATOM 311 OD2 ASP A 22 -1.935 9.620 0.265 1.00 0.00 O ATOM 0 H ASP A 22 -3.661 6.914 2.411 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.375 5.508 2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.546 7.459 0.765 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.150 6.887 0.354 1.00 0.00 H new ATOM 316 N ARG A 23 -0.820 8.022 4.240 1.00 0.00 N ATOM 317 CA ARG A 23 0.107 8.580 5.241 1.00 0.00 C ATOM 318 C ARG A 23 0.649 7.544 6.243 1.00 0.00 C ATOM 319 O ARG A 23 1.801 7.668 6.667 1.00 0.00 O ATOM 320 CB ARG A 23 -0.583 9.735 5.985 1.00 0.00 C ATOM 321 CG ARG A 23 -0.961 10.899 5.055 1.00 0.00 C ATOM 322 CD ARG A 23 -1.563 12.052 5.864 1.00 0.00 C ATOM 323 NE ARG A 23 -2.006 13.165 5.006 1.00 0.00 N ATOM 324 CZ ARG A 23 -1.295 14.211 4.629 1.00 0.00 C ATOM 325 NH1 ARG A 23 -0.004 14.287 4.774 1.00 0.00 N ATOM 326 NH2 ARG A 23 -1.900 15.225 4.092 1.00 0.00 N ATOM 0 H ARG A 23 -1.745 8.451 4.271 1.00 0.00 H new ATOM 0 HA ARG A 23 0.978 8.940 4.694 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.482 9.360 6.475 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.078 10.103 6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.078 11.245 4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.677 10.558 4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.410 11.683 6.443 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.824 12.418 6.577 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.967 13.122 4.666 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.508 13.513 5.197 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.496 15.120 4.464 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.912 15.207 3.966 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.364 16.040 3.796 1.00 0.00 H new ATOM 340 N GLY A 24 -0.133 6.513 6.578 1.00 0.00 N ATOM 341 CA GLY A 24 0.279 5.407 7.453 1.00 0.00 C ATOM 342 C GLY A 24 1.070 4.314 6.723 1.00 0.00 C ATOM 343 O GLY A 24 1.994 3.728 7.294 1.00 0.00 O ATOM 0 H GLY A 24 -1.092 6.421 6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.887 5.804 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.607 4.963 7.906 1.00 0.00 H new ATOM 347 N LEU A 25 0.766 4.086 5.439 1.00 0.00 N ATOM 348 CA LEU A 25 1.568 3.235 4.546 1.00 0.00 C ATOM 349 C LEU A 25 2.953 3.859 4.285 1.00 0.00 C ATOM 350 O LEU A 25 3.972 3.177 4.367 1.00 0.00 O ATOM 351 CB LEU A 25 0.808 3.014 3.221 1.00 0.00 C ATOM 352 CG LEU A 25 -0.519 2.239 3.339 1.00 0.00 C ATOM 353 CD1 LEU A 25 -1.293 2.345 2.023 1.00 0.00 C ATOM 354 CD2 LEU A 25 -0.273 0.760 3.645 1.00 0.00 C ATOM 0 H LEU A 25 -0.052 4.491 4.984 1.00 0.00 H new ATOM 0 HA LEU A 25 1.727 2.271 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.602 3.986 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.462 2.478 2.532 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.092 2.677 4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.231 1.797 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.503 3.393 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.697 1.921 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.228 0.241 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.318 0.316 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.267 0.668 4.587 1.00 0.00 H new ATOM 366 N GLU A 26 2.993 5.172 4.050 1.00 0.00 N ATOM 367 CA GLU A 26 4.206 5.985 3.912 1.00 0.00 C ATOM 368 C GLU A 26 5.139 5.823 5.119 1.00 0.00 C ATOM 369 O GLU A 26 6.327 5.541 4.942 1.00 0.00 O ATOM 370 CB GLU A 26 3.770 7.452 3.724 1.00 0.00 C ATOM 371 CG GLU A 26 4.886 8.498 3.829 1.00 0.00 C ATOM 372 CD GLU A 26 4.297 9.908 3.726 1.00 0.00 C ATOM 373 OE1 GLU A 26 4.142 10.407 2.584 1.00 0.00 O ATOM 374 OE2 GLU A 26 3.978 10.527 4.771 1.00 0.00 O ATOM 0 H GLU A 26 2.142 5.724 3.946 1.00 0.00 H new ATOM 0 HA GLU A 26 4.778 5.652 3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.298 7.549 2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.009 7.684 4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.414 8.384 4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.617 8.342 3.036 1.00 0.00 H new ATOM 381 N ALA A 27 4.624 5.959 6.345 1.00 0.00 N ATOM 382 CA ALA A 27 5.434 5.823 7.555 1.00 0.00 C ATOM 383 C ALA A 27 5.961 4.389 7.749 1.00 0.00 C ATOM 384 O ALA A 27 7.139 4.201 8.058 1.00 0.00 O ATOM 385 CB ALA A 27 4.599 6.301 8.748 1.00 0.00 C ATOM 0 H ALA A 27 3.641 6.165 6.524 1.00 0.00 H new ATOM 0 HA ALA A 27 6.326 6.443 7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.185 6.208 9.663 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.318 7.344 8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.699 5.691 8.830 1.00 0.00 H new ATOM 391 N ALA A 28 5.139 3.373 7.467 1.00 0.00 N ATOM 392 CA ALA A 28 5.553 1.971 7.523 1.00 0.00 C ATOM 393 C ALA A 28 6.630 1.597 6.485 1.00 0.00 C ATOM 394 O ALA A 28 7.418 0.681 6.741 1.00 0.00 O ATOM 395 CB ALA A 28 4.310 1.103 7.335 1.00 0.00 C ATOM 0 H ALA A 28 4.165 3.502 7.193 1.00 0.00 H new ATOM 0 HA ALA A 28 6.016 1.799 8.494 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.592 0.051 7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.594 1.316 8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.856 1.322 6.369 1.00 0.00 H new ATOM 401 N PHE A 29 6.683 2.289 5.341 1.00 0.00 N ATOM 402 CA PHE A 29 7.575 1.985 4.212 1.00 0.00 C ATOM 403 C PHE A 29 8.824 2.879 4.122 1.00 0.00 C ATOM 404 O PHE A 29 9.811 2.465 3.512 1.00 0.00 O ATOM 405 CB PHE A 29 6.726 2.044 2.928 1.00 0.00 C ATOM 406 CG PHE A 29 7.412 1.609 1.642 1.00 0.00 C ATOM 407 CD1 PHE A 29 8.268 2.496 0.964 1.00 0.00 C ATOM 408 CD2 PHE A 29 7.163 0.336 1.089 1.00 0.00 C ATOM 409 CE1 PHE A 29 8.899 2.113 -0.230 1.00 0.00 C ATOM 410 CE2 PHE A 29 7.776 -0.040 -0.122 1.00 0.00 C ATOM 411 CZ PHE A 29 8.654 0.843 -0.774 1.00 0.00 C ATOM 0 H PHE A 29 6.089 3.100 5.168 1.00 0.00 H new ATOM 0 HA PHE A 29 7.992 0.989 4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.844 1.420 3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.374 3.067 2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.442 3.483 1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.501 -0.352 1.595 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.572 2.795 -0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.571 -1.010 -0.551 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.139 0.545 -1.692 1.00 0.00 H new ATOM 421 N SER A 30 8.839 4.068 4.737 1.00 0.00 N ATOM 422 CA SER A 30 9.877 5.090 4.486 1.00 0.00 C ATOM 423 C SER A 30 11.341 4.647 4.732 1.00 0.00 C ATOM 424 O SER A 30 12.253 5.315 4.237 1.00 0.00 O ATOM 425 CB SER A 30 9.584 6.369 5.284 1.00 0.00 C ATOM 426 OG SER A 30 8.456 7.057 4.758 1.00 0.00 O ATOM 0 H SER A 30 8.138 4.353 5.421 1.00 0.00 H new ATOM 0 HA SER A 30 9.811 5.273 3.413 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.404 6.116 6.329 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.456 7.023 5.260 1.00 0.00 H new ATOM 0 HG SER A 30 7.697 6.440 4.694 1.00 0.00 H new ATOM 432 N SER A 31 11.605 3.555 5.471 1.00 0.00 N ATOM 433 CA SER A 31 12.969 3.005 5.676 1.00 0.00 C ATOM 434 C SER A 31 13.458 2.060 4.561 1.00 0.00 C ATOM 435 O SER A 31 14.648 1.732 4.496 1.00 0.00 O ATOM 436 CB SER A 31 13.093 2.307 7.036 1.00 0.00 C ATOM 437 OG SER A 31 12.404 1.065 7.055 1.00 0.00 O ATOM 0 H SER A 31 10.878 3.022 5.948 1.00 0.00 H new ATOM 0 HA SER A 31 13.620 3.878 5.644 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.146 2.142 7.266 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.694 2.956 7.816 1.00 0.00 H new ATOM 0 HG SER A 31 12.506 0.648 7.936 1.00 0.00 H new ATOM 443 N PHE A 32 12.555 1.623 3.677 1.00 0.00 N ATOM 444 CA PHE A 32 12.869 0.910 2.435 1.00 0.00 C ATOM 445 C PHE A 32 13.141 1.912 1.305 1.00 0.00 C ATOM 446 O PHE A 32 14.173 1.821 0.630 1.00 0.00 O ATOM 447 CB PHE A 32 11.722 -0.051 2.075 1.00 0.00 C ATOM 448 CG PHE A 32 11.475 -1.159 3.087 1.00 0.00 C ATOM 449 CD1 PHE A 32 10.613 -0.948 4.182 1.00 0.00 C ATOM 450 CD2 PHE A 32 12.091 -2.415 2.922 1.00 0.00 C ATOM 451 CE1 PHE A 32 10.371 -1.981 5.105 1.00 0.00 C ATOM 452 CE2 PHE A 32 11.849 -3.447 3.846 1.00 0.00 C ATOM 453 CZ PHE A 32 10.988 -3.232 4.936 1.00 0.00 C ATOM 0 H PHE A 32 11.553 1.760 3.811 1.00 0.00 H new ATOM 0 HA PHE A 32 13.772 0.316 2.577 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.805 0.527 1.960 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.937 -0.504 1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 32 10.136 0.012 4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.751 -2.586 2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.711 -1.813 5.943 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.326 -4.407 3.718 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.801 -4.027 5.643 1.00 0.00 H new ATOM 463 N GLY A 33 12.255 2.901 1.148 1.00 0.00 N ATOM 464 CA GLY A 33 12.380 3.970 0.162 1.00 0.00 C ATOM 465 C GLY A 33 11.473 5.172 0.448 1.00 0.00 C ATOM 466 O GLY A 33 10.400 5.026 1.029 1.00 0.00 O ATOM 0 H GLY A 33 11.413 2.979 1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.417 4.306 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 33 12.144 3.573 -0.825 1.00 0.00 H new ATOM 470 N GLU A 34 11.889 6.367 0.030 1.00 0.00 N ATOM 471 CA GLU A 34 11.074 7.591 0.103 1.00 0.00 C ATOM 472 C GLU A 34 9.992 7.600 -0.985 1.00 0.00 C ATOM 473 O GLU A 34 10.302 7.426 -2.166 1.00 0.00 O ATOM 474 CB GLU A 34 11.964 8.825 -0.073 1.00 0.00 C ATOM 475 CG GLU A 34 13.013 8.966 1.034 1.00 0.00 C ATOM 476 CD GLU A 34 13.961 10.126 0.742 1.00 0.00 C ATOM 477 OE1 GLU A 34 14.464 10.230 -0.404 1.00 0.00 O ATOM 478 OE2 GLU A 34 14.186 10.973 1.645 1.00 0.00 O ATOM 0 H GLU A 34 12.813 6.520 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 34 10.593 7.613 1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.467 8.769 -1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.339 9.718 -0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.518 9.128 1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.581 8.040 1.122 1.00 0.00 H new ATOM 485 N ILE A 35 8.727 7.818 -0.616 1.00 0.00 N ATOM 486 CA ILE A 35 7.589 7.529 -1.502 1.00 0.00 C ATOM 487 C ILE A 35 7.624 8.311 -2.827 1.00 0.00 C ATOM 488 O ILE A 35 7.832 9.529 -2.867 1.00 0.00 O ATOM 489 CB ILE A 35 6.249 7.691 -0.741 1.00 0.00 C ATOM 490 CG1 ILE A 35 6.100 6.668 0.411 1.00 0.00 C ATOM 491 CG2 ILE A 35 5.027 7.561 -1.667 1.00 0.00 C ATOM 492 CD1 ILE A 35 6.379 5.213 0.010 1.00 0.00 C ATOM 0 H ILE A 35 8.461 8.195 0.294 1.00 0.00 H new ATOM 0 HA ILE A 35 7.677 6.485 -1.802 1.00 0.00 H new ATOM 0 HB ILE A 35 6.279 8.699 -0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.779 6.946 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.088 6.734 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.114 7.682 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.071 8.331 -2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.029 6.577 -2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.251 4.566 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.683 4.912 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.401 5.127 -0.360 1.00 0.00 H new ATOM 504 N LEU A 36 7.367 7.575 -3.914 1.00 0.00 N ATOM 505 CA LEU A 36 7.100 8.101 -5.253 1.00 0.00 C ATOM 506 C LEU A 36 5.601 8.409 -5.409 1.00 0.00 C ATOM 507 O LEU A 36 5.239 9.482 -5.890 1.00 0.00 O ATOM 508 CB LEU A 36 7.641 7.073 -6.270 1.00 0.00 C ATOM 509 CG LEU A 36 7.642 7.505 -7.750 1.00 0.00 C ATOM 510 CD1 LEU A 36 8.663 6.667 -8.522 1.00 0.00 C ATOM 511 CD2 LEU A 36 6.292 7.297 -8.441 1.00 0.00 C ATOM 0 H LEU A 36 7.339 6.556 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 36 7.607 9.049 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.663 6.819 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.050 6.161 -6.181 1.00 0.00 H new ATOM 0 HG LEU A 36 7.880 8.569 -7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.666 6.970 -9.569 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.655 6.820 -8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.397 5.612 -8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.361 7.621 -9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.025 6.241 -8.407 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.527 7.881 -7.929 1.00 0.00 H new ATOM 523 N ASP A 37 4.726 7.503 -4.967 1.00 0.00 N ATOM 524 CA ASP A 37 3.265 7.657 -5.007 1.00 0.00 C ATOM 525 C ASP A 37 2.606 6.682 -4.020 1.00 0.00 C ATOM 526 O ASP A 37 3.092 5.558 -3.849 1.00 0.00 O ATOM 527 CB ASP A 37 2.724 7.334 -6.417 1.00 0.00 C ATOM 528 CG ASP A 37 2.538 8.547 -7.334 1.00 0.00 C ATOM 529 OD1 ASP A 37 1.837 9.508 -6.931 1.00 0.00 O ATOM 530 OD2 ASP A 37 2.940 8.486 -8.519 1.00 0.00 O ATOM 0 H ASP A 37 5.020 6.616 -4.559 1.00 0.00 H new ATOM 0 HA ASP A 37 3.032 8.688 -4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.406 6.634 -6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.766 6.825 -6.314 1.00 0.00 H new ATOM 535 N ALA A 38 1.456 7.056 -3.445 1.00 0.00 N ATOM 536 CA ALA A 38 0.528 6.106 -2.858 1.00 0.00 C ATOM 537 C ALA A 38 -0.937 6.486 -3.152 1.00 0.00 C ATOM 538 O ALA A 38 -1.330 7.654 -3.067 1.00 0.00 O ATOM 539 CB ALA A 38 0.824 5.981 -1.360 1.00 0.00 C ATOM 0 H ALA A 38 1.151 8.027 -3.378 1.00 0.00 H new ATOM 0 HA ALA A 38 0.669 5.127 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.132 5.269 -0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.847 5.631 -1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.705 6.954 -0.883 1.00 0.00 H new ATOM 545 N LYS A 39 -1.759 5.473 -3.451 1.00 0.00 N ATOM 546 CA LYS A 39 -3.207 5.591 -3.703 1.00 0.00 C ATOM 547 C LYS A 39 -3.954 5.161 -2.452 1.00 0.00 C ATOM 548 O LYS A 39 -3.584 4.162 -1.843 1.00 0.00 O ATOM 549 CB LYS A 39 -3.609 4.718 -4.913 1.00 0.00 C ATOM 550 CG LYS A 39 -5.122 4.606 -5.229 1.00 0.00 C ATOM 551 CD LYS A 39 -5.843 5.930 -5.530 1.00 0.00 C ATOM 552 CE LYS A 39 -5.081 6.814 -6.525 1.00 0.00 C ATOM 553 NZ LYS A 39 -5.670 8.167 -6.627 1.00 0.00 N ATOM 0 H LYS A 39 -1.426 4.512 -3.528 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.463 6.624 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.107 5.112 -5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.222 3.712 -4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.247 3.943 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.616 4.129 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.834 5.715 -5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.986 6.479 -4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.039 6.894 -6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.085 6.341 -7.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.126 8.732 -7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.657 8.093 -6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.643 8.629 -5.695 1.00 0.00 H new ATOM 567 N ILE A 40 -5.026 5.865 -2.110 1.00 0.00 N ATOM 568 CA ILE A 40 -5.983 5.454 -1.078 1.00 0.00 C ATOM 569 C ILE A 40 -7.411 5.723 -1.555 1.00 0.00 C ATOM 570 O ILE A 40 -7.692 6.799 -2.086 1.00 0.00 O ATOM 571 CB ILE A 40 -5.632 6.114 0.278 1.00 0.00 C ATOM 572 CG1 ILE A 40 -6.597 5.686 1.406 1.00 0.00 C ATOM 573 CG2 ILE A 40 -5.448 7.643 0.208 1.00 0.00 C ATOM 574 CD1 ILE A 40 -7.842 6.556 1.642 1.00 0.00 C ATOM 0 H ILE A 40 -5.263 6.755 -2.548 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.917 4.379 -0.908 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.647 5.726 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.931 4.670 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.031 5.649 2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.204 8.026 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.638 7.881 -0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.371 8.105 -0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.427 6.139 2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.534 7.570 1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.448 6.577 0.737 1.00 0.00 H new ATOM 586 N ILE A 41 -8.309 4.752 -1.364 1.00 0.00 N ATOM 587 CA ILE A 41 -9.747 4.896 -1.651 1.00 0.00 C ATOM 588 C ILE A 41 -10.607 4.834 -0.369 1.00 0.00 C ATOM 589 O ILE A 41 -10.649 3.832 0.359 1.00 0.00 O ATOM 590 CB ILE A 41 -10.185 3.942 -2.790 1.00 0.00 C ATOM 591 CG1 ILE A 41 -11.701 4.003 -3.081 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.721 2.492 -2.562 1.00 0.00 C ATOM 593 CD1 ILE A 41 -12.189 5.362 -3.595 1.00 0.00 C ATOM 0 H ILE A 41 -8.059 3.832 -1.002 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.929 5.899 -2.036 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.676 4.309 -3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.949 3.239 -3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.245 3.756 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -10.056 1.868 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.633 2.463 -2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.145 2.116 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -13.263 5.319 -3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.976 6.130 -2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.676 5.605 -4.525 1.00 0.00 H new ATOM 715 N SER A 49 -15.015 3.490 3.474 1.00 0.00 N ATOM 716 CA SER A 49 -13.603 3.098 3.430 1.00 0.00 C ATOM 717 C SER A 49 -13.458 1.739 2.739 1.00 0.00 C ATOM 718 O SER A 49 -13.756 0.696 3.321 1.00 0.00 O ATOM 719 CB SER A 49 -12.948 3.135 4.827 1.00 0.00 C ATOM 720 OG SER A 49 -13.887 3.138 5.892 1.00 0.00 O ATOM 0 HA SER A 49 -13.057 3.830 2.835 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.291 2.272 4.935 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.322 4.024 4.903 1.00 0.00 H new ATOM 0 HG SER A 49 -14.787 3.288 5.534 1.00 0.00 H new ATOM 726 N ARG A 50 -12.993 1.742 1.481 1.00 0.00 N ATOM 727 CA ARG A 50 -12.737 0.522 0.685 1.00 0.00 C ATOM 728 C ARG A 50 -11.544 -0.275 1.219 1.00 0.00 C ATOM 729 O ARG A 50 -11.494 -1.492 1.066 1.00 0.00 O ATOM 730 CB ARG A 50 -12.489 0.916 -0.780 1.00 0.00 C ATOM 731 CG ARG A 50 -13.738 1.310 -1.585 1.00 0.00 C ATOM 732 CD ARG A 50 -14.522 0.104 -2.113 1.00 0.00 C ATOM 733 NE ARG A 50 -15.396 -0.519 -1.104 1.00 0.00 N ATOM 734 CZ ARG A 50 -15.928 -1.726 -1.171 1.00 0.00 C ATOM 735 NH1 ARG A 50 -15.729 -2.543 -2.165 1.00 0.00 N ATOM 736 NH2 ARG A 50 -16.685 -2.123 -0.197 1.00 0.00 N ATOM 0 H ARG A 50 -12.780 2.602 0.976 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.615 -0.119 0.761 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.789 1.751 -0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.003 0.081 -1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.392 1.913 -0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.438 1.936 -2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.129 0.419 -2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.819 -0.642 -2.483 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.611 0.035 -0.275 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.136 -2.262 -2.946 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.166 -3.464 -2.163 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.858 -1.508 0.598 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.108 -3.051 -0.225 1.00 0.00 H new ATOM 750 N GLY A 51 -10.617 0.398 1.896 1.00 0.00 N ATOM 751 CA GLY A 51 -9.614 -0.232 2.760 1.00 0.00 C ATOM 752 C GLY A 51 -8.351 -0.734 2.046 1.00 0.00 C ATOM 753 O GLY A 51 -7.599 -1.537 2.597 1.00 0.00 O ATOM 0 H GLY A 51 -10.538 1.414 1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.317 0.485 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.079 -1.073 3.274 1.00 0.00 H new ATOM 757 N PHE A 52 -8.088 -0.266 0.828 1.00 0.00 N ATOM 758 CA PHE A 52 -6.924 -0.658 0.034 1.00 0.00 C ATOM 759 C PHE A 52 -6.312 0.524 -0.722 1.00 0.00 C ATOM 760 O PHE A 52 -6.882 1.619 -0.789 1.00 0.00 O ATOM 761 CB PHE A 52 -7.267 -1.838 -0.898 1.00 0.00 C ATOM 762 CG PHE A 52 -8.413 -1.627 -1.871 1.00 0.00 C ATOM 763 CD1 PHE A 52 -8.209 -0.913 -3.067 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.674 -2.196 -1.608 1.00 0.00 C ATOM 765 CE1 PHE A 52 -9.262 -0.759 -3.986 1.00 0.00 C ATOM 766 CE2 PHE A 52 -10.728 -2.042 -2.526 1.00 0.00 C ATOM 767 CZ PHE A 52 -10.522 -1.321 -3.715 1.00 0.00 C ATOM 0 H PHE A 52 -8.689 0.409 0.356 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.154 -1.001 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.375 -2.089 -1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.501 -2.704 -0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.241 -0.483 -3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.832 -2.753 -0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.103 -0.208 -4.901 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.694 -2.477 -2.318 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.331 -1.199 -4.420 1.00 0.00 H new ATOM 777 N GLY A 53 -5.122 0.283 -1.267 1.00 0.00 N ATOM 778 CA GLY A 53 -4.332 1.263 -1.991 1.00 0.00 C ATOM 779 C GLY A 53 -3.204 0.663 -2.830 1.00 0.00 C ATOM 780 O GLY A 53 -3.010 -0.554 -2.881 1.00 0.00 O ATOM 0 H GLY A 53 -4.671 -0.630 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.992 1.834 -2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.904 1.967 -1.277 1.00 0.00 H new ATOM 784 N PHE A 54 -2.441 1.550 -3.466 1.00 0.00 N ATOM 785 CA PHE A 54 -1.143 1.254 -4.078 1.00 0.00 C ATOM 786 C PHE A 54 -0.012 1.980 -3.340 1.00 0.00 C ATOM 787 O PHE A 54 -0.248 3.048 -2.778 1.00 0.00 O ATOM 788 CB PHE A 54 -1.124 1.637 -5.568 1.00 0.00 C ATOM 789 CG PHE A 54 -2.125 0.930 -6.466 1.00 0.00 C ATOM 790 CD1 PHE A 54 -2.180 -0.477 -6.500 1.00 0.00 C ATOM 791 CD2 PHE A 54 -2.951 1.674 -7.329 1.00 0.00 C ATOM 792 CE1 PHE A 54 -3.074 -1.135 -7.363 1.00 0.00 C ATOM 793 CE2 PHE A 54 -3.832 1.016 -8.206 1.00 0.00 C ATOM 794 CZ PHE A 54 -3.901 -0.388 -8.219 1.00 0.00 C ATOM 0 H PHE A 54 -2.716 2.526 -3.574 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.985 0.179 -3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.296 2.711 -5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.124 1.445 -5.956 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.531 -1.055 -5.859 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.908 2.753 -7.318 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.125 -2.214 -7.368 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.458 1.592 -8.872 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.587 -0.891 -8.884 1.00 0.00 H new ATOM 804 N VAL A 55 1.217 1.459 -3.415 1.00 0.00 N ATOM 805 CA VAL A 55 2.460 2.133 -2.976 1.00 0.00 C ATOM 806 C VAL A 55 3.546 1.957 -4.047 1.00 0.00 C ATOM 807 O VAL A 55 3.600 0.908 -4.693 1.00 0.00 O ATOM 808 CB VAL A 55 2.938 1.594 -1.606 1.00 0.00 C ATOM 809 CG1 VAL A 55 4.197 2.314 -1.100 1.00 0.00 C ATOM 810 CG2 VAL A 55 1.868 1.763 -0.517 1.00 0.00 C ATOM 0 H VAL A 55 1.388 0.527 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 55 2.256 3.196 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 55 3.149 0.539 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.491 1.899 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.007 2.177 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.988 3.378 -0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.245 1.372 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.629 2.820 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.969 1.217 -0.803 1.00 0.00 H new ATOM 820 N SER A 56 4.400 2.967 -4.250 1.00 0.00 N ATOM 821 CA SER A 56 5.486 2.970 -5.246 1.00 0.00 C ATOM 822 C SER A 56 6.768 3.663 -4.744 1.00 0.00 C ATOM 823 O SER A 56 6.709 4.642 -3.993 1.00 0.00 O ATOM 824 CB SER A 56 4.970 3.647 -6.522 1.00 0.00 C ATOM 825 OG SER A 56 5.938 3.645 -7.549 1.00 0.00 O ATOM 0 H SER A 56 4.356 3.832 -3.711 1.00 0.00 H new ATOM 0 HA SER A 56 5.767 1.936 -5.443 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.073 3.133 -6.868 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.682 4.674 -6.297 1.00 0.00 H new ATOM 0 HG SER A 56 5.996 2.749 -7.943 1.00 0.00 H new ATOM 831 N PHE A 57 7.926 3.173 -5.206 1.00 0.00 N ATOM 832 CA PHE A 57 9.267 3.727 -4.971 1.00 0.00 C ATOM 833 C PHE A 57 10.042 3.859 -6.286 1.00 0.00 C ATOM 834 O PHE A 57 9.832 3.069 -7.196 1.00 0.00 O ATOM 835 CB PHE A 57 10.066 2.804 -4.026 1.00 0.00 C ATOM 836 CG PHE A 57 11.443 3.315 -3.625 1.00 0.00 C ATOM 837 CD1 PHE A 57 11.614 4.650 -3.221 1.00 0.00 C ATOM 838 CD2 PHE A 57 12.561 2.464 -3.657 1.00 0.00 C ATOM 839 CE1 PHE A 57 12.892 5.153 -2.921 1.00 0.00 C ATOM 840 CE2 PHE A 57 13.835 2.949 -3.306 1.00 0.00 C ATOM 841 CZ PHE A 57 14.006 4.300 -2.960 1.00 0.00 C ATOM 0 H PHE A 57 7.954 2.334 -5.785 1.00 0.00 H new ATOM 0 HA PHE A 57 9.144 4.712 -4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.479 2.643 -3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.183 1.833 -4.507 1.00 0.00 H new ATOM 0 HD1 PHE A 57 10.753 5.297 -3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 57 12.442 1.432 -3.953 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.016 6.194 -2.661 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.683 2.281 -3.303 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.989 4.680 -2.725 1.00 0.00 H new ATOM 851 N SER A 58 11.015 4.770 -6.353 1.00 0.00 N ATOM 852 CA SER A 58 11.951 4.930 -7.482 1.00 0.00 C ATOM 853 C SER A 58 12.913 3.751 -7.738 1.00 0.00 C ATOM 854 O SER A 58 13.714 3.831 -8.676 1.00 0.00 O ATOM 855 CB SER A 58 12.739 6.241 -7.317 1.00 0.00 C ATOM 856 OG SER A 58 13.250 6.386 -6.000 1.00 0.00 O ATOM 0 H SER A 58 11.184 5.440 -5.603 1.00 0.00 H new ATOM 0 HA SER A 58 11.321 4.956 -8.371 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.562 6.263 -8.031 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.092 7.086 -7.551 1.00 0.00 H new ATOM 0 HG SER A 58 13.746 7.229 -5.932 1.00 0.00 H new ATOM 862 N ASN A 59 12.859 2.661 -6.953 1.00 0.00 N ATOM 863 CA ASN A 59 13.610 1.425 -7.230 1.00 0.00 C ATOM 864 C ASN A 59 12.761 0.158 -7.005 1.00 0.00 C ATOM 865 O ASN A 59 11.968 0.075 -6.068 1.00 0.00 O ATOM 866 CB ASN A 59 14.885 1.310 -6.372 1.00 0.00 C ATOM 867 CG ASN A 59 15.937 2.393 -6.551 1.00 0.00 C ATOM 868 OD1 ASN A 59 17.005 2.145 -7.093 1.00 0.00 O ATOM 869 ND2 ASN A 59 15.731 3.587 -6.045 1.00 0.00 N ATOM 0 H ASN A 59 12.292 2.613 -6.107 1.00 0.00 H new ATOM 0 HA ASN A 59 13.886 1.492 -8.282 1.00 0.00 H new ATOM 0 HB2 ASN A 59 14.588 1.296 -5.323 1.00 0.00 H new ATOM 0 HB3 ASN A 59 15.350 0.347 -6.584 1.00 0.00 H new ATOM 0 HD21 ASN A 59 16.459 4.299 -6.106 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.843 3.802 -5.591 1.00 0.00 H new ATOM 876 N GLU A 60 13.020 -0.878 -7.802 1.00 0.00 N ATOM 877 CA GLU A 60 12.342 -2.185 -7.744 1.00 0.00 C ATOM 878 C GLU A 60 12.862 -3.065 -6.593 1.00 0.00 C ATOM 879 O GLU A 60 12.077 -3.716 -5.902 1.00 0.00 O ATOM 880 CB GLU A 60 12.500 -2.870 -9.117 1.00 0.00 C ATOM 881 CG GLU A 60 11.768 -4.214 -9.244 1.00 0.00 C ATOM 882 CD GLU A 60 11.754 -4.720 -10.698 1.00 0.00 C ATOM 883 OE1 GLU A 60 10.831 -4.338 -11.464 1.00 0.00 O ATOM 884 OE2 GLU A 60 12.667 -5.487 -11.096 1.00 0.00 O ATOM 0 H GLU A 60 13.731 -0.835 -8.533 1.00 0.00 H new ATOM 0 HA GLU A 60 11.284 -2.034 -7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.132 -2.195 -9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.561 -3.028 -9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.252 -4.954 -8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.744 -4.106 -8.887 1.00 0.00 H new ATOM 891 N GLN A 61 14.176 -3.040 -6.335 1.00 0.00 N ATOM 892 CA GLN A 61 14.836 -3.900 -5.340 1.00 0.00 C ATOM 893 C GLN A 61 14.259 -3.698 -3.926 1.00 0.00 C ATOM 894 O GLN A 61 13.835 -4.670 -3.295 1.00 0.00 O ATOM 895 CB GLN A 61 16.356 -3.649 -5.359 1.00 0.00 C ATOM 896 CG GLN A 61 17.024 -4.092 -6.671 1.00 0.00 C ATOM 897 CD GLN A 61 18.489 -3.666 -6.737 1.00 0.00 C ATOM 898 OE1 GLN A 61 18.820 -2.587 -7.213 1.00 0.00 O ATOM 899 NE2 GLN A 61 19.414 -4.463 -6.260 1.00 0.00 N ATOM 0 H GLN A 61 14.821 -2.414 -6.817 1.00 0.00 H new ATOM 0 HA GLN A 61 14.643 -4.938 -5.611 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.545 -2.587 -5.203 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.816 -4.181 -4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.957 -5.176 -6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.483 -3.665 -7.516 1.00 0.00 H new ATOM 0 HE21 GLN A 61 19.154 -5.365 -5.860 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.394 -4.181 -6.288 1.00 0.00 H new ATOM 908 N ALA A 62 14.168 -2.442 -3.464 1.00 0.00 N ATOM 909 CA ALA A 62 13.561 -2.088 -2.176 1.00 0.00 C ATOM 910 C ALA A 62 12.037 -2.306 -2.135 1.00 0.00 C ATOM 911 O ALA A 62 11.503 -2.672 -1.088 1.00 0.00 O ATOM 912 CB ALA A 62 13.899 -0.628 -1.855 1.00 0.00 C ATOM 0 H ALA A 62 14.518 -1.636 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 62 13.978 -2.757 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.453 -0.353 -0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.981 -0.509 -1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.504 0.018 -2.639 1.00 0.00 H new ATOM 918 N MET A 63 11.331 -2.133 -3.261 1.00 0.00 N ATOM 919 CA MET A 63 9.885 -2.379 -3.337 1.00 0.00 C ATOM 920 C MET A 63 9.560 -3.852 -3.029 1.00 0.00 C ATOM 921 O MET A 63 8.642 -4.150 -2.266 1.00 0.00 O ATOM 922 CB MET A 63 9.367 -1.967 -4.729 1.00 0.00 C ATOM 923 CG MET A 63 7.844 -1.817 -4.758 1.00 0.00 C ATOM 924 SD MET A 63 7.252 -0.346 -3.878 1.00 0.00 S ATOM 925 CE MET A 63 5.707 -0.997 -3.200 1.00 0.00 C ATOM 0 H MET A 63 11.744 -1.820 -4.140 1.00 0.00 H new ATOM 0 HA MET A 63 9.379 -1.775 -2.584 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.829 -1.024 -5.022 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.671 -2.713 -5.463 1.00 0.00 H new ATOM 0 HG2 MET A 63 7.510 -1.771 -5.795 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.390 -2.704 -4.316 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.206 -0.219 -2.624 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.059 -1.319 -4.015 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.923 -1.846 -2.552 1.00 0.00 H new ATOM 935 N GLN A 64 10.366 -4.776 -3.554 1.00 0.00 N ATOM 936 CA GLN A 64 10.231 -6.214 -3.306 1.00 0.00 C ATOM 937 C GLN A 64 10.788 -6.637 -1.940 1.00 0.00 C ATOM 938 O GLN A 64 10.205 -7.511 -1.296 1.00 0.00 O ATOM 939 CB GLN A 64 10.883 -6.992 -4.456 1.00 0.00 C ATOM 940 CG GLN A 64 9.993 -7.015 -5.716 1.00 0.00 C ATOM 941 CD GLN A 64 8.803 -7.972 -5.611 1.00 0.00 C ATOM 942 OE1 GLN A 64 8.611 -8.672 -4.623 1.00 0.00 O ATOM 943 NE2 GLN A 64 7.976 -8.065 -6.630 1.00 0.00 N ATOM 0 H GLN A 64 11.143 -4.544 -4.173 1.00 0.00 H new ATOM 0 HA GLN A 64 9.168 -6.454 -3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 64 11.845 -6.541 -4.700 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.083 -8.014 -4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.622 -6.008 -5.907 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.601 -7.299 -6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.122 -7.489 -7.459 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.189 -8.713 -6.591 1.00 0.00 H new ATOM 952 N ASP A 65 11.849 -5.983 -1.456 1.00 0.00 N ATOM 953 CA ASP A 65 12.362 -6.151 -0.088 1.00 0.00 C ATOM 954 C ASP A 65 11.297 -5.807 0.974 1.00 0.00 C ATOM 955 O ASP A 65 11.219 -6.464 2.018 1.00 0.00 O ATOM 956 CB ASP A 65 13.613 -5.267 0.069 1.00 0.00 C ATOM 957 CG ASP A 65 14.404 -5.532 1.348 1.00 0.00 C ATOM 958 OD1 ASP A 65 14.545 -6.711 1.740 1.00 0.00 O ATOM 959 OD2 ASP A 65 14.958 -4.575 1.943 1.00 0.00 O ATOM 0 H ASP A 65 12.384 -5.313 -2.009 1.00 0.00 H new ATOM 0 HA ASP A 65 12.622 -7.197 0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.266 -5.424 -0.789 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.310 -4.220 0.052 1.00 0.00 H new ATOM 964 N ALA A 66 10.431 -4.831 0.672 1.00 0.00 N ATOM 965 CA ALA A 66 9.288 -4.471 1.509 1.00 0.00 C ATOM 966 C ALA A 66 8.147 -5.502 1.418 1.00 0.00 C ATOM 967 O ALA A 66 7.682 -5.979 2.453 1.00 0.00 O ATOM 968 CB ALA A 66 8.821 -3.062 1.130 1.00 0.00 C ATOM 0 H ALA A 66 10.509 -4.264 -0.172 1.00 0.00 H new ATOM 0 HA ALA A 66 9.601 -4.476 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.968 -2.783 1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.634 -2.354 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.529 -3.046 0.080 1.00 0.00 H new ATOM 974 N ILE A 67 7.724 -5.890 0.203 1.00 0.00 N ATOM 975 CA ILE A 67 6.717 -6.947 -0.054 1.00 0.00 C ATOM 976 C ILE A 67 7.041 -8.244 0.709 1.00 0.00 C ATOM 977 O ILE A 67 6.145 -8.852 1.297 1.00 0.00 O ATOM 978 CB ILE A 67 6.589 -7.205 -1.579 1.00 0.00 C ATOM 979 CG1 ILE A 67 5.902 -6.005 -2.272 1.00 0.00 C ATOM 980 CG2 ILE A 67 5.816 -8.496 -1.916 1.00 0.00 C ATOM 981 CD1 ILE A 67 6.072 -6.005 -3.798 1.00 0.00 C ATOM 0 H ILE A 67 8.080 -5.468 -0.655 1.00 0.00 H new ATOM 0 HA ILE A 67 5.755 -6.595 0.319 1.00 0.00 H new ATOM 0 HB ILE A 67 7.606 -7.329 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.839 -6.016 -2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.310 -5.079 -1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.763 -8.616 -2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.331 -9.352 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.807 -8.433 -1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.566 -5.137 -4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.133 -5.963 -4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.638 -6.915 -4.212 1.00 0.00 H new ATOM 993 N GLU A 68 8.317 -8.640 0.757 1.00 0.00 N ATOM 994 CA GLU A 68 8.776 -9.822 1.502 1.00 0.00 C ATOM 995 C GLU A 68 8.422 -9.756 3.003 1.00 0.00 C ATOM 996 O GLU A 68 7.933 -10.743 3.560 1.00 0.00 O ATOM 997 CB GLU A 68 10.291 -9.967 1.276 1.00 0.00 C ATOM 998 CG GLU A 68 10.929 -11.187 1.953 1.00 0.00 C ATOM 999 CD GLU A 68 10.418 -12.508 1.370 1.00 0.00 C ATOM 1000 OE1 GLU A 68 10.690 -12.781 0.175 1.00 0.00 O ATOM 1001 OE2 GLU A 68 9.710 -13.258 2.082 1.00 0.00 O ATOM 0 H GLU A 68 9.069 -8.146 0.276 1.00 0.00 H new ATOM 0 HA GLU A 68 8.256 -10.704 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.480 -10.024 0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.786 -9.067 1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.012 -11.137 1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.718 -11.158 3.022 1.00 0.00 H new ATOM 1008 N GLY A 69 8.602 -8.597 3.651 1.00 0.00 N ATOM 1009 CA GLY A 69 8.184 -8.372 5.044 1.00 0.00 C ATOM 1010 C GLY A 69 6.669 -8.176 5.217 1.00 0.00 C ATOM 1011 O GLY A 69 6.078 -8.686 6.172 1.00 0.00 O ATOM 0 H GLY A 69 9.044 -7.784 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.502 -9.221 5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.700 -7.493 5.430 1.00 0.00 H new ATOM 1015 N MET A 70 6.027 -7.481 4.271 1.00 0.00 N ATOM 1016 CA MET A 70 4.600 -7.114 4.307 1.00 0.00 C ATOM 1017 C MET A 70 3.651 -8.319 4.298 1.00 0.00 C ATOM 1018 O MET A 70 2.587 -8.241 4.905 1.00 0.00 O ATOM 1019 CB MET A 70 4.267 -6.230 3.095 1.00 0.00 C ATOM 1020 CG MET A 70 4.795 -4.796 3.213 1.00 0.00 C ATOM 1021 SD MET A 70 3.891 -3.770 4.404 1.00 0.00 S ATOM 1022 CE MET A 70 4.903 -2.266 4.357 1.00 0.00 C ATOM 0 H MET A 70 6.498 -7.146 3.431 1.00 0.00 H new ATOM 0 HA MET A 70 4.447 -6.586 5.248 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.683 -6.688 2.198 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.185 -6.200 2.965 1.00 0.00 H new ATOM 0 HG2 MET A 70 5.845 -4.830 3.502 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.749 -4.322 2.233 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.485 -1.524 5.038 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.922 -2.504 4.661 1.00 0.00 H new ATOM 0 HE3 MET A 70 4.911 -1.865 3.344 1.00 0.00 H new ATOM 1032 N ASN A 71 4.020 -9.420 3.632 1.00 0.00 N ATOM 1033 CA ASN A 71 3.222 -10.646 3.500 1.00 0.00 C ATOM 1034 C ASN A 71 2.620 -11.115 4.845 1.00 0.00 C ATOM 1035 O ASN A 71 3.301 -11.734 5.671 1.00 0.00 O ATOM 1036 CB ASN A 71 4.145 -11.710 2.876 1.00 0.00 C ATOM 1037 CG ASN A 71 3.527 -13.095 2.747 1.00 0.00 C ATOM 1038 OD1 ASN A 71 2.319 -13.290 2.761 1.00 0.00 O ATOM 1039 ND2 ASN A 71 4.360 -14.101 2.620 1.00 0.00 N ATOM 0 H ASN A 71 4.917 -9.484 3.151 1.00 0.00 H new ATOM 0 HA ASN A 71 2.357 -10.463 2.863 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.451 -11.370 1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.049 -11.786 3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.002 -15.052 2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.366 -13.932 2.609 1.00 0.00 H new ATOM 1046 N GLY A 72 1.338 -10.810 5.073 1.00 0.00 N ATOM 1047 CA GLY A 72 0.611 -11.223 6.277 1.00 0.00 C ATOM 1048 C GLY A 72 0.988 -10.490 7.575 1.00 0.00 C ATOM 1049 O GLY A 72 0.786 -11.063 8.646 1.00 0.00 O ATOM 0 H GLY A 72 0.772 -10.266 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.455 -11.082 6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.771 -12.291 6.426 1.00 0.00 H new ATOM 1053 N LYS A 73 1.600 -9.296 7.515 1.00 0.00 N ATOM 1054 CA LYS A 73 2.029 -8.527 8.705 1.00 0.00 C ATOM 1055 C LYS A 73 0.885 -7.727 9.352 1.00 0.00 C ATOM 1056 O LYS A 73 -0.078 -7.350 8.688 1.00 0.00 O ATOM 1057 CB LYS A 73 3.228 -7.615 8.347 1.00 0.00 C ATOM 1058 CG LYS A 73 4.180 -7.425 9.543 1.00 0.00 C ATOM 1059 CD LYS A 73 5.403 -6.548 9.242 1.00 0.00 C ATOM 1060 CE LYS A 73 5.041 -5.061 9.163 1.00 0.00 C ATOM 1061 NZ LYS A 73 6.245 -4.227 8.947 1.00 0.00 N ATOM 0 H LYS A 73 1.815 -8.829 6.634 1.00 0.00 H new ATOM 0 HA LYS A 73 2.346 -9.249 9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.777 -8.048 7.511 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.860 -6.643 8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.624 -6.981 10.369 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.523 -8.404 9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.155 -6.697 10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.851 -6.862 8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.333 -4.899 8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.544 -4.756 10.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.969 -3.225 8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.909 -4.365 9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.704 -4.504 8.056 1.00 0.00 H new ATOM 1075 N GLU A 74 1.014 -7.399 10.636 1.00 0.00 N ATOM 1076 CA GLU A 74 0.234 -6.331 11.280 1.00 0.00 C ATOM 1077 C GLU A 74 0.799 -4.945 10.905 1.00 0.00 C ATOM 1078 O GLU A 74 1.958 -4.636 11.201 1.00 0.00 O ATOM 1079 CB GLU A 74 0.204 -6.534 12.805 1.00 0.00 C ATOM 1080 CG GLU A 74 -0.650 -7.746 13.213 1.00 0.00 C ATOM 1081 CD GLU A 74 -0.516 -8.048 14.710 1.00 0.00 C ATOM 1082 OE1 GLU A 74 0.529 -8.600 15.133 1.00 0.00 O ATOM 1083 OE2 GLU A 74 -1.443 -7.739 15.500 1.00 0.00 O ATOM 0 H GLU A 74 1.665 -7.866 11.267 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.793 -6.378 10.917 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.222 -6.669 13.172 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.191 -5.637 13.282 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.695 -7.554 12.971 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.345 -8.619 12.636 1.00 0.00 H new ATOM 1090 N LEU A 75 -0.032 -4.108 10.275 1.00 0.00 N ATOM 1091 CA LEU A 75 0.260 -2.731 9.855 1.00 0.00 C ATOM 1092 C LEU A 75 -0.925 -1.825 10.228 1.00 0.00 C ATOM 1093 O LEU A 75 -2.068 -2.181 9.956 1.00 0.00 O ATOM 1094 CB LEU A 75 0.512 -2.702 8.330 1.00 0.00 C ATOM 1095 CG LEU A 75 1.736 -1.850 7.959 1.00 0.00 C ATOM 1096 CD1 LEU A 75 3.011 -2.676 8.132 1.00 0.00 C ATOM 1097 CD2 LEU A 75 1.661 -1.394 6.504 1.00 0.00 C ATOM 0 H LEU A 75 -0.982 -4.389 10.030 1.00 0.00 H new ATOM 0 HA LEU A 75 1.153 -2.366 10.362 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.657 -3.720 7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.370 -2.307 7.825 1.00 0.00 H new ATOM 0 HG LEU A 75 1.749 -0.979 8.614 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.877 -2.069 7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.097 -2.999 9.169 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.969 -3.550 7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.538 -0.793 6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.630 -2.266 5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.761 -0.797 6.356 1.00 0.00 H new ATOM 1109 N ASP A 76 -0.690 -0.697 10.906 1.00 0.00 N ATOM 1110 CA ASP A 76 -1.748 0.059 11.621 1.00 0.00 C ATOM 1111 C ASP A 76 -2.558 -0.832 12.603 1.00 0.00 C ATOM 1112 O ASP A 76 -3.720 -0.565 12.900 1.00 0.00 O ATOM 1113 CB ASP A 76 -2.627 0.844 10.615 1.00 0.00 C ATOM 1114 CG ASP A 76 -3.322 2.073 11.226 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -2.614 2.976 11.738 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -4.567 2.204 11.118 1.00 0.00 O ATOM 0 H ASP A 76 0.235 -0.274 10.980 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.266 0.798 12.261 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.006 1.167 9.779 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.385 0.174 10.209 1.00 0.00 H new ATOM 1121 N GLY A 77 -1.965 -1.947 13.055 1.00 0.00 N ATOM 1122 CA GLY A 77 -2.608 -3.033 13.813 1.00 0.00 C ATOM 1123 C GLY A 77 -3.416 -4.043 12.977 1.00 0.00 C ATOM 1124 O GLY A 77 -3.732 -5.130 13.472 1.00 0.00 O ATOM 0 H GLY A 77 -0.974 -2.126 12.894 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.837 -3.576 14.359 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.272 -2.590 14.555 1.00 0.00 H new ATOM 1128 N ARG A 78 -3.713 -3.730 11.710 1.00 0.00 N ATOM 1129 CA ARG A 78 -4.565 -4.497 10.782 1.00 0.00 C ATOM 1130 C ARG A 78 -3.742 -5.542 10.023 1.00 0.00 C ATOM 1131 O ARG A 78 -2.573 -5.308 9.729 1.00 0.00 O ATOM 1132 CB ARG A 78 -5.239 -3.531 9.785 1.00 0.00 C ATOM 1133 CG ARG A 78 -6.025 -2.360 10.401 1.00 0.00 C ATOM 1134 CD ARG A 78 -7.212 -2.830 11.243 1.00 0.00 C ATOM 1135 NE ARG A 78 -7.955 -1.689 11.806 1.00 0.00 N ATOM 1136 CZ ARG A 78 -9.213 -1.356 11.581 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -9.955 -1.918 10.674 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -9.790 -0.401 12.241 1.00 0.00 N ATOM 0 H ARG A 78 -3.345 -2.884 11.275 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.329 -5.019 11.359 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.469 -3.121 9.131 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.918 -4.106 9.156 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.356 -1.765 11.022 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.384 -1.709 9.604 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.880 -3.434 10.629 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.857 -3.470 12.051 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.437 -1.085 12.445 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.571 -2.660 10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.921 -1.617 10.547 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.271 0.113 12.953 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.763 -0.163 12.048 1.00 0.00 H new ATOM 1152 N SER A 79 -4.337 -6.678 9.671 1.00 0.00 N ATOM 1153 CA SER A 79 -3.636 -7.753 8.951 1.00 0.00 C ATOM 1154 C SER A 79 -3.567 -7.443 7.448 1.00 0.00 C ATOM 1155 O SER A 79 -4.592 -7.440 6.757 1.00 0.00 O ATOM 1156 CB SER A 79 -4.307 -9.100 9.233 1.00 0.00 C ATOM 1157 OG SER A 79 -4.139 -9.453 10.600 1.00 0.00 O ATOM 0 H SER A 79 -5.315 -6.885 9.873 1.00 0.00 H new ATOM 0 HA SER A 79 -2.609 -7.815 9.311 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.368 -9.044 8.992 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.875 -9.871 8.595 1.00 0.00 H new ATOM 0 HG SER A 79 -4.573 -10.315 10.771 1.00 0.00 H new ATOM 1163 N ILE A 80 -2.367 -7.132 6.943 1.00 0.00 N ATOM 1164 CA ILE A 80 -2.148 -6.676 5.563 1.00 0.00 C ATOM 1165 C ILE A 80 -1.887 -7.836 4.591 1.00 0.00 C ATOM 1166 O ILE A 80 -1.389 -8.899 4.970 1.00 0.00 O ATOM 1167 CB ILE A 80 -1.074 -5.561 5.511 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -1.251 -4.658 4.268 1.00 0.00 C ATOM 1169 CG2 ILE A 80 0.360 -6.111 5.552 1.00 0.00 C ATOM 1170 CD1 ILE A 80 -0.438 -3.363 4.352 1.00 0.00 C ATOM 0 H ILE A 80 -1.507 -7.191 7.489 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.076 -6.227 5.209 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.226 -4.964 6.410 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.953 -5.211 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.306 -4.412 4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.068 -5.283 5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.508 -6.672 6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.522 -6.768 4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.603 -2.771 3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.753 -2.791 5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.622 -3.604 4.439 1.00 0.00 H new ATOM 1182 N VAL A 81 -2.230 -7.612 3.322 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.931 -8.490 2.182 1.00 0.00 C ATOM 1184 C VAL A 81 -1.342 -7.638 1.061 1.00 0.00 C ATOM 1185 O VAL A 81 -1.793 -6.510 0.843 1.00 0.00 O ATOM 1186 CB VAL A 81 -3.188 -9.267 1.729 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -3.011 -10.004 0.395 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.552 -10.319 2.783 1.00 0.00 C ATOM 0 H VAL A 81 -2.747 -6.778 3.045 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.201 -9.245 2.473 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.969 -8.517 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.934 -10.526 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.775 -9.285 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.199 -10.725 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.439 -10.865 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.722 -11.015 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.755 -9.826 3.734 1.00 0.00 H new ATOM 1198 N VAL A 82 -0.326 -8.174 0.377 1.00 0.00 N ATOM 1199 CA VAL A 82 0.439 -7.501 -0.688 1.00 0.00 C ATOM 1200 C VAL A 82 0.466 -8.307 -1.988 1.00 0.00 C ATOM 1201 O VAL A 82 0.621 -9.528 -1.954 1.00 0.00 O ATOM 1202 CB VAL A 82 1.883 -7.184 -0.266 1.00 0.00 C ATOM 1203 CG1 VAL A 82 1.878 -5.946 0.623 1.00 0.00 C ATOM 1204 CG2 VAL A 82 2.601 -8.332 0.456 1.00 0.00 C ATOM 0 H VAL A 82 0.002 -9.124 0.553 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.089 -6.564 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 82 2.443 -7.016 -1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.898 -5.713 0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.463 -5.103 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.270 -6.136 1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.613 -8.021 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.055 -8.589 1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.646 -9.202 -0.199 1.00 0.00 H new ATOM 1214 N ASN A 83 0.399 -7.628 -3.137 1.00 0.00 N ATOM 1215 CA ASN A 83 0.775 -8.206 -4.433 1.00 0.00 C ATOM 1216 C ASN A 83 1.315 -7.148 -5.411 1.00 0.00 C ATOM 1217 O ASN A 83 0.993 -5.965 -5.316 1.00 0.00 O ATOM 1218 CB ASN A 83 -0.377 -9.034 -5.040 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.678 -8.275 -5.253 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -1.817 -7.485 -6.172 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -2.680 -8.495 -4.433 1.00 0.00 N ATOM 0 H ASN A 83 0.082 -6.660 -3.196 1.00 0.00 H new ATOM 0 HA ASN A 83 1.599 -8.895 -4.248 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -0.048 -9.436 -5.998 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.574 -9.885 -4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.566 -8.007 -4.567 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.573 -9.154 -3.662 1.00 0.00 H new ATOM 1228 N GLU A 84 2.166 -7.575 -6.341 1.00 0.00 N ATOM 1229 CA GLU A 84 2.722 -6.741 -7.417 1.00 0.00 C ATOM 1230 C GLU A 84 1.649 -6.161 -8.356 1.00 0.00 C ATOM 1231 O GLU A 84 0.624 -6.794 -8.596 1.00 0.00 O ATOM 1232 CB GLU A 84 3.768 -7.551 -8.196 1.00 0.00 C ATOM 1233 CG GLU A 84 3.240 -8.824 -8.892 1.00 0.00 C ATOM 1234 CD GLU A 84 2.537 -8.572 -10.234 1.00 0.00 C ATOM 1235 OE1 GLU A 84 3.115 -7.880 -11.110 1.00 0.00 O ATOM 1236 OE2 GLU A 84 1.437 -9.136 -10.456 1.00 0.00 O ATOM 0 H GLU A 84 2.501 -8.538 -6.372 1.00 0.00 H new ATOM 0 HA GLU A 84 3.196 -5.876 -6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.214 -6.904 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.565 -7.837 -7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.075 -9.506 -9.056 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.544 -9.328 -8.221 1.00 0.00 H new ATOM 1243 N ALA A 85 1.879 -4.963 -8.905 1.00 0.00 N ATOM 1244 CA ALA A 85 0.875 -4.231 -9.685 1.00 0.00 C ATOM 1245 C ALA A 85 1.081 -4.283 -11.215 1.00 0.00 C ATOM 1246 O ALA A 85 0.177 -3.899 -11.965 1.00 0.00 O ATOM 1247 CB ALA A 85 0.816 -2.796 -9.148 1.00 0.00 C ATOM 0 H ALA A 85 2.769 -4.472 -8.821 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.086 -4.728 -9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.076 -2.227 -9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.536 -2.813 -8.095 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.794 -2.326 -9.256 1.00 0.00 H new