USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 845 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 71 LYS NZ :NH3+ -152:sc= 2.28 (180deg=0.862) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 1.03 USER MOD Set 2.1: A 37 SER OG : rot -153:sc= 0.2 USER MOD Set 2.2: A 45 THR OG1 : rot 68:sc= 1.09 USER MOD Single : A 2 THR OG1 : rot -27:sc= -1.61! USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 154:sc= 2.08 (180deg=0.643) USER MOD Single : A 9 SER OG : rot 180:sc= 0.157 USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 1.14 (180deg=0.976) USER MOD Single : A 19 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.47) USER MOD Single : A 25 SER OG : rot -102:sc= 0.107 USER MOD Single : A 35 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-3.6!) USER MOD Single : A 41 GLN : amide:sc= -0.755 X(o=-0.75,f=-0.29) USER MOD Single : A 43 GLN : amide:sc= -2.25! K(o=-2.3!,f=-0.86) USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= 0.903 (180deg=-0.46) USER MOD Single : A 53 GLN : amide:sc= -1.83! X(o=-1.8!,f=-1.9) USER MOD Single : A 55 ASN : amide:sc= -0.42 K(o=-0.42,f=-3.6!) USER MOD Single : A 75 SER OG : rot -43:sc= 0.473 USER MOD Single : A 83 HIS : no HE2:sc= -0.262 K(o=-0.26,f=-2.2) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -119:sc= -0.416 USER MOD Single : A 108 GLN : amide:sc= -0.721 X(o=-0.72,f=-0.61) USER MOD Single : A 112 HIS : no HD1:sc= 0.276 K(o=0.66,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 9.500 -4.262 11.356 1.00 0.00 N ATOM 21 CA THR A 2 9.466 -4.044 9.903 1.00 0.00 C ATOM 22 C THR A 2 8.134 -3.422 9.461 1.00 0.00 C ATOM 23 O THR A 2 7.072 -3.751 9.993 1.00 0.00 O ATOM 24 CB THR A 2 9.687 -5.363 9.122 1.00 0.00 C ATOM 25 OG1 THR A 2 8.726 -6.346 9.535 1.00 0.00 O ATOM 26 CG2 THR A 2 11.100 -5.902 9.334 1.00 0.00 C ATOM 0 HA THR A 2 10.279 -3.355 9.675 1.00 0.00 H new ATOM 0 HB THR A 2 9.558 -5.151 8.061 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.442 -6.160 10.454 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.224 -6.828 8.773 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.826 -5.167 8.986 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.260 -6.096 10.395 1.00 0.00 H new ATOM 34 N LEU A 3 8.201 -2.513 8.490 1.00 0.00 N ATOM 35 CA LEU A 3 7.009 -1.823 7.973 1.00 0.00 C ATOM 36 C LEU A 3 6.928 -1.928 6.442 1.00 0.00 C ATOM 37 O LEU A 3 7.946 -1.856 5.750 1.00 0.00 O ATOM 38 CB LEU A 3 7.034 -0.340 8.384 1.00 0.00 C ATOM 39 CG LEU A 3 7.065 -0.067 9.899 1.00 0.00 C ATOM 40 CD1 LEU A 3 7.187 1.429 10.180 1.00 0.00 C ATOM 41 CD2 LEU A 3 5.822 -0.638 10.576 1.00 0.00 C ATOM 0 H LEU A 3 9.072 -2.232 8.040 1.00 0.00 H new ATOM 0 HA LEU A 3 6.131 -2.307 8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.908 0.129 7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.156 0.149 7.963 1.00 0.00 H new ATOM 0 HG LEU A 3 7.942 -0.565 10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.207 1.597 11.257 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.108 1.809 9.737 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.334 1.951 9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.864 -0.434 11.646 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.931 -0.173 10.153 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.781 -1.715 10.413 1.00 0.00 H new ATOM 53 N ILE A 4 5.718 -2.099 5.920 1.00 0.00 N ATOM 54 CA ILE A 4 5.497 -2.156 4.472 1.00 0.00 C ATOM 55 C ILE A 4 4.741 -0.913 3.976 1.00 0.00 C ATOM 56 O ILE A 4 3.807 -0.437 4.628 1.00 0.00 O ATOM 57 CB ILE A 4 4.724 -3.436 4.067 1.00 0.00 C ATOM 58 CG1 ILE A 4 3.375 -3.521 4.805 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.572 -4.678 4.345 1.00 0.00 C ATOM 60 CD1 ILE A 4 2.573 -4.769 4.489 1.00 0.00 C ATOM 0 H ILE A 4 4.870 -2.201 6.477 1.00 0.00 H new ATOM 0 HA ILE A 4 6.479 -2.181 4.000 1.00 0.00 H new ATOM 0 HB ILE A 4 4.518 -3.388 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.558 -3.482 5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.778 -2.645 4.551 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.016 -5.570 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.496 -4.624 3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.808 -4.727 5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.638 -4.752 5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.356 -4.802 3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.148 -5.652 4.770 1.00 0.00 H new ATOM 72 N TYR A 5 5.152 -0.389 2.821 1.00 0.00 N ATOM 73 CA TYR A 5 4.588 0.856 2.281 1.00 0.00 C ATOM 74 C TYR A 5 3.988 0.646 0.881 1.00 0.00 C ATOM 75 O TYR A 5 4.588 -0.011 0.026 1.00 0.00 O ATOM 76 CB TYR A 5 5.678 1.937 2.204 1.00 0.00 C ATOM 77 CG TYR A 5 6.360 2.235 3.528 1.00 0.00 C ATOM 78 CD1 TYR A 5 7.402 1.436 3.988 1.00 0.00 C ATOM 79 CD2 TYR A 5 5.968 3.315 4.314 1.00 0.00 C ATOM 80 CE1 TYR A 5 8.033 1.704 5.188 1.00 0.00 C ATOM 81 CE2 TYR A 5 6.597 3.589 5.514 1.00 0.00 C ATOM 82 CZ TYR A 5 7.628 2.782 5.946 1.00 0.00 C ATOM 83 OH TYR A 5 8.260 3.055 7.141 1.00 0.00 O ATOM 0 H TYR A 5 5.876 -0.807 2.237 1.00 0.00 H new ATOM 0 HA TYR A 5 3.791 1.174 2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.433 1.624 1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.234 2.857 1.822 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.723 0.591 3.397 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.160 3.949 3.981 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.839 1.072 5.530 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.282 4.432 6.111 1.00 0.00 H new ATOM 0 HH TYR A 5 7.856 3.848 7.551 1.00 0.00 H new ATOM 93 N LYS A 6 2.806 1.210 0.645 1.00 0.00 N ATOM 94 CA LYS A 6 2.169 1.141 -0.677 1.00 0.00 C ATOM 95 C LYS A 6 1.521 2.485 -1.052 1.00 0.00 C ATOM 96 O LYS A 6 0.560 2.926 -0.417 1.00 0.00 O ATOM 97 CB LYS A 6 1.125 0.013 -0.704 1.00 0.00 C ATOM 98 CG LYS A 6 0.597 -0.324 -2.099 1.00 0.00 C ATOM 99 CD LYS A 6 -0.314 -1.551 -2.071 1.00 0.00 C ATOM 100 CE LYS A 6 -0.801 -1.949 -3.463 1.00 0.00 C ATOM 101 NZ LYS A 6 0.317 -2.280 -4.389 1.00 0.00 N ATOM 0 H LYS A 6 2.268 1.719 1.346 1.00 0.00 H new ATOM 0 HA LYS A 6 2.941 0.925 -1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.565 -0.884 -0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.285 0.296 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.048 0.529 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.435 -0.507 -2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.223 -2.388 -1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.174 -1.347 -1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.465 -2.809 -3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.388 -1.133 -3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.022 -2.935 -5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.666 -1.409 -4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.089 -2.727 -3.855 1.00 0.00 H new ATOM 115 N ILE A 7 2.067 3.136 -2.077 1.00 0.00 N ATOM 116 CA ILE A 7 1.540 4.417 -2.557 1.00 0.00 C ATOM 117 C ILE A 7 0.393 4.203 -3.557 1.00 0.00 C ATOM 118 O ILE A 7 0.448 3.302 -4.394 1.00 0.00 O ATOM 119 CB ILE A 7 2.647 5.260 -3.246 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.873 5.404 -2.328 1.00 0.00 C ATOM 121 CG2 ILE A 7 2.107 6.639 -3.642 1.00 0.00 C ATOM 122 CD1 ILE A 7 5.027 6.156 -2.961 1.00 0.00 C ATOM 0 H ILE A 7 2.878 2.798 -2.595 1.00 0.00 H new ATOM 0 HA ILE A 7 1.169 4.953 -1.683 1.00 0.00 H new ATOM 0 HB ILE A 7 2.958 4.739 -4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.573 5.919 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.215 4.411 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.898 7.215 -4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.273 6.518 -4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.766 7.166 -2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.854 6.217 -2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.355 5.631 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.703 7.162 -3.228 1.00 0.00 H new ATOM 134 N LEU A 8 -0.643 5.031 -3.464 1.00 0.00 N ATOM 135 CA LEU A 8 -1.779 4.961 -4.394 1.00 0.00 C ATOM 136 C LEU A 8 -2.581 6.270 -4.379 1.00 0.00 C ATOM 137 O LEU A 8 -2.479 7.057 -3.441 1.00 0.00 O ATOM 138 CB LEU A 8 -2.705 3.777 -4.049 1.00 0.00 C ATOM 139 CG LEU A 8 -3.532 3.911 -2.751 1.00 0.00 C ATOM 140 CD1 LEU A 8 -4.456 2.708 -2.578 1.00 0.00 C ATOM 141 CD2 LEU A 8 -2.631 4.067 -1.527 1.00 0.00 C ATOM 0 H LEU A 8 -0.725 5.761 -2.756 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.375 4.808 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.394 3.628 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.096 2.876 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.139 4.812 -2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.031 2.820 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.137 2.648 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.861 1.797 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.246 4.159 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.986 3.193 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.017 4.961 -1.639 1.00 0.00 H new ATOM 153 N SER A 9 -3.371 6.502 -5.422 1.00 0.00 N ATOM 154 CA SER A 9 -4.246 7.683 -5.477 1.00 0.00 C ATOM 155 C SER A 9 -5.398 7.565 -4.475 1.00 0.00 C ATOM 156 O SER A 9 -5.845 6.461 -4.154 1.00 0.00 O ATOM 157 CB SER A 9 -4.826 7.874 -6.887 1.00 0.00 C ATOM 158 OG SER A 9 -5.880 8.826 -6.880 1.00 0.00 O ATOM 0 H SER A 9 -3.428 5.895 -6.240 1.00 0.00 H new ATOM 0 HA SER A 9 -3.634 8.547 -5.219 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.039 8.202 -7.566 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.195 6.920 -7.264 1.00 0.00 H new ATOM 0 HG SER A 9 -6.232 8.931 -7.789 1.00 0.00 H new ATOM 164 N ARG A 10 -5.893 8.705 -3.992 1.00 0.00 N ATOM 165 CA ARG A 10 -7.037 8.712 -3.076 1.00 0.00 C ATOM 166 C ARG A 10 -8.255 8.048 -3.738 1.00 0.00 C ATOM 167 O ARG A 10 -9.099 7.465 -3.061 1.00 0.00 O ATOM 168 CB ARG A 10 -7.380 10.145 -2.638 1.00 0.00 C ATOM 169 CG ARG A 10 -8.418 10.216 -1.515 1.00 0.00 C ATOM 170 CD ARG A 10 -7.915 9.548 -0.235 1.00 0.00 C ATOM 171 NE ARG A 10 -8.934 9.496 0.814 1.00 0.00 N ATOM 172 CZ ARG A 10 -8.673 9.291 2.082 1.00 0.00 C ATOM 173 NH1 ARG A 10 -7.450 9.185 2.499 1.00 0.00 N ATOM 174 NH2 ARG A 10 -9.640 9.210 2.935 1.00 0.00 N ATOM 0 H ARG A 10 -5.524 9.629 -4.217 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.766 8.141 -2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.468 10.643 -2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.752 10.699 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.661 11.259 -1.310 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.339 9.732 -1.840 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.584 8.535 -0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.046 10.091 0.136 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.908 9.627 0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.677 9.261 1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.261 9.026 3.488 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.606 9.306 2.622 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.437 9.050 3.922 1.00 0.00 H new ATOM 188 N ALA A 11 -8.318 8.123 -5.071 1.00 0.00 N ATOM 189 CA ALA A 11 -9.374 7.453 -5.839 1.00 0.00 C ATOM 190 C ALA A 11 -9.303 5.926 -5.669 1.00 0.00 C ATOM 191 O ALA A 11 -10.330 5.258 -5.533 1.00 0.00 O ATOM 192 CB ALA A 11 -9.269 7.829 -7.313 1.00 0.00 C ATOM 0 H ALA A 11 -7.650 8.641 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.338 7.787 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.057 7.326 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.378 8.908 -7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.297 7.522 -7.699 1.00 0.00 H new ATOM 198 N GLU A 12 -8.083 5.385 -5.676 1.00 0.00 N ATOM 199 CA GLU A 12 -7.862 3.948 -5.457 1.00 0.00 C ATOM 200 C GLU A 12 -8.214 3.558 -4.014 1.00 0.00 C ATOM 201 O GLU A 12 -8.915 2.571 -3.770 1.00 0.00 O ATOM 202 CB GLU A 12 -6.395 3.582 -5.742 1.00 0.00 C ATOM 203 CG GLU A 12 -5.934 3.881 -7.165 1.00 0.00 C ATOM 204 CD GLU A 12 -6.639 3.031 -8.211 1.00 0.00 C ATOM 205 OE1 GLU A 12 -6.157 1.917 -8.507 1.00 0.00 O ATOM 206 OE2 GLU A 12 -7.669 3.482 -8.756 1.00 0.00 O ATOM 0 H GLU A 12 -7.228 5.920 -5.831 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.510 3.400 -6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.756 4.125 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.253 2.520 -5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.109 4.934 -7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.859 3.715 -7.235 1.00 0.00 H new ATOM 213 N TRP A 13 -7.725 4.353 -3.063 1.00 0.00 N ATOM 214 CA TRP A 13 -7.976 4.118 -1.638 1.00 0.00 C ATOM 215 C TRP A 13 -9.480 4.159 -1.317 1.00 0.00 C ATOM 216 O TRP A 13 -10.004 3.253 -0.676 1.00 0.00 O ATOM 217 CB TRP A 13 -7.213 5.153 -0.798 1.00 0.00 C ATOM 218 CG TRP A 13 -7.440 5.035 0.683 1.00 0.00 C ATOM 219 CD1 TRP A 13 -7.811 6.039 1.530 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.318 3.853 1.491 1.00 0.00 C ATOM 221 NE1 TRP A 13 -7.915 5.564 2.812 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.619 4.224 2.816 1.00 0.00 C ATOM 223 CE3 TRP A 13 -6.980 2.522 1.226 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.594 3.314 3.869 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -6.956 1.619 2.273 1.00 0.00 C ATOM 226 CH2 TRP A 13 -7.261 2.019 3.580 1.00 0.00 C ATOM 0 H TRP A 13 -7.148 5.172 -3.254 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.617 3.120 -1.387 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.147 5.052 -1.000 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.506 6.152 -1.120 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.996 7.061 1.233 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.171 6.117 3.630 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.742 2.205 0.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.829 3.619 4.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.698 0.588 2.080 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.233 1.290 4.376 1.00 0.00 H new ATOM 237 N ASP A 14 -10.170 5.203 -1.771 1.00 0.00 N ATOM 238 CA ASP A 14 -11.620 5.319 -1.572 1.00 0.00 C ATOM 239 C ASP A 14 -12.396 4.203 -2.289 1.00 0.00 C ATOM 240 O ASP A 14 -13.459 3.794 -1.825 1.00 0.00 O ATOM 241 CB ASP A 14 -12.124 6.695 -2.026 1.00 0.00 C ATOM 242 CG ASP A 14 -12.138 7.700 -0.890 1.00 0.00 C ATOM 243 OD1 ASP A 14 -13.107 7.682 -0.097 1.00 0.00 O ATOM 244 OD2 ASP A 14 -11.192 8.501 -0.772 1.00 0.00 O ATOM 0 H ASP A 14 -9.752 5.982 -2.279 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.803 5.210 -0.503 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.489 7.066 -2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.130 6.596 -2.434 1.00 0.00 H new ATOM 249 N ALA A 15 -11.869 3.715 -3.413 1.00 0.00 N ATOM 250 CA ALA A 15 -12.492 2.595 -4.133 1.00 0.00 C ATOM 251 C ALA A 15 -12.496 1.321 -3.272 1.00 0.00 C ATOM 252 O ALA A 15 -13.509 0.629 -3.157 1.00 0.00 O ATOM 253 CB ALA A 15 -11.769 2.344 -5.453 1.00 0.00 C ATOM 0 H ALA A 15 -11.017 4.073 -3.845 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.527 2.862 -4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.242 1.512 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.823 3.239 -6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.725 2.102 -5.256 1.00 0.00 H new ATOM 259 N ALA A 16 -11.353 1.025 -2.660 1.00 0.00 N ATOM 260 CA ALA A 16 -11.229 -0.123 -1.757 1.00 0.00 C ATOM 261 C ALA A 16 -11.959 0.128 -0.429 1.00 0.00 C ATOM 262 O ALA A 16 -12.628 -0.756 0.108 1.00 0.00 O ATOM 263 CB ALA A 16 -9.759 -0.422 -1.500 1.00 0.00 C ATOM 0 H ALA A 16 -10.494 1.564 -2.771 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.695 -0.984 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.673 -1.276 -0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.264 -0.651 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.285 0.447 -1.044 1.00 0.00 H new ATOM 269 N LYS A 17 -11.824 1.346 0.085 1.00 0.00 N ATOM 270 CA LYS A 17 -12.450 1.750 1.349 1.00 0.00 C ATOM 271 C LYS A 17 -13.983 1.798 1.230 1.00 0.00 C ATOM 272 O LYS A 17 -14.695 1.608 2.214 1.00 0.00 O ATOM 273 CB LYS A 17 -11.892 3.117 1.781 1.00 0.00 C ATOM 274 CG LYS A 17 -12.405 3.620 3.129 1.00 0.00 C ATOM 275 CD LYS A 17 -11.645 4.865 3.595 1.00 0.00 C ATOM 276 CE LYS A 17 -11.723 6.010 2.584 1.00 0.00 C ATOM 277 NZ LYS A 17 -13.109 6.520 2.409 1.00 0.00 N ATOM 0 H LYS A 17 -11.278 2.084 -0.359 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.211 1.006 2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.805 3.053 1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.139 3.853 1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.468 3.850 3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.303 2.831 3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.051 5.199 4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.600 4.606 3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.078 6.825 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.341 5.668 1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.129 7.210 1.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.745 5.728 2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.424 6.979 3.288 1.00 0.00 H new ATOM 291 N ALA A 18 -14.484 2.043 0.017 1.00 0.00 N ATOM 292 CA ALA A 18 -15.931 2.043 -0.243 1.00 0.00 C ATOM 293 C ALA A 18 -16.543 0.656 0.010 1.00 0.00 C ATOM 294 O ALA A 18 -17.591 0.532 0.650 1.00 0.00 O ATOM 295 CB ALA A 18 -16.217 2.493 -1.674 1.00 0.00 C ATOM 0 H ALA A 18 -13.911 2.244 -0.803 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.394 2.748 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.293 2.487 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -15.831 3.501 -1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.732 1.812 -2.373 1.00 0.00 H new ATOM 301 N GLN A 19 -15.887 -0.382 -0.507 1.00 0.00 N ATOM 302 CA GLN A 19 -16.311 -1.769 -0.270 1.00 0.00 C ATOM 303 C GLN A 19 -15.757 -2.307 1.063 1.00 0.00 C ATOM 304 O GLN A 19 -16.275 -3.276 1.618 1.00 0.00 O ATOM 305 CB GLN A 19 -15.875 -2.670 -1.441 1.00 0.00 C ATOM 306 CG GLN A 19 -14.393 -2.577 -1.787 1.00 0.00 C ATOM 307 CD GLN A 19 -14.003 -3.460 -2.966 1.00 0.00 C ATOM 308 OE1 GLN A 19 -14.583 -4.520 -3.188 1.00 0.00 O ATOM 309 NE2 GLN A 19 -13.021 -3.029 -3.733 1.00 0.00 N ATOM 0 H GLN A 19 -15.058 -0.293 -1.094 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.399 -1.780 -0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -16.115 -3.705 -1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.459 -2.407 -2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.143 -1.541 -2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.803 -2.861 -0.916 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.560 -2.144 -3.522 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.723 -3.580 -4.538 1.00 0.00 H new ATOM 318 N GLY A 20 -14.707 -1.666 1.573 1.00 0.00 N ATOM 319 CA GLY A 20 -14.118 -2.066 2.849 1.00 0.00 C ATOM 320 C GLY A 20 -12.929 -3.012 2.704 1.00 0.00 C ATOM 321 O GLY A 20 -12.317 -3.414 3.700 1.00 0.00 O ATOM 0 H GLY A 20 -14.249 -0.872 1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.798 -1.174 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.883 -2.548 3.457 1.00 0.00 H new ATOM 325 N ARG A 21 -12.581 -3.359 1.467 1.00 0.00 N ATOM 326 CA ARG A 21 -11.488 -4.306 1.217 1.00 0.00 C ATOM 327 C ARG A 21 -10.628 -3.893 0.012 1.00 0.00 C ATOM 328 O ARG A 21 -11.140 -3.453 -1.018 1.00 0.00 O ATOM 329 CB ARG A 21 -12.054 -5.714 0.985 1.00 0.00 C ATOM 330 CG ARG A 21 -12.884 -5.843 -0.290 1.00 0.00 C ATOM 331 CD ARG A 21 -13.453 -7.243 -0.464 1.00 0.00 C ATOM 332 NE ARG A 21 -14.120 -7.402 -1.756 1.00 0.00 N ATOM 333 CZ ARG A 21 -15.301 -7.928 -1.919 1.00 0.00 C ATOM 334 NH1 ARG A 21 -16.007 -8.298 -0.899 1.00 0.00 N ATOM 335 NH2 ARG A 21 -15.785 -8.068 -3.107 1.00 0.00 N ATOM 0 H ARG A 21 -13.034 -3.004 0.625 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.849 -4.302 2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.229 -6.425 0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -12.672 -5.992 1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.700 -5.121 -0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.265 -5.594 -1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.650 -7.975 -0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.161 -7.450 0.338 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.626 -7.078 -2.588 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.640 -8.179 0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.930 -8.708 -1.040 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.243 -7.767 -3.917 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.709 -8.480 -3.236 1.00 0.00 H new ATOM 349 N PHE A 22 -9.316 -4.036 0.157 1.00 0.00 N ATOM 350 CA PHE A 22 -8.379 -3.816 -0.947 1.00 0.00 C ATOM 351 C PHE A 22 -7.874 -5.160 -1.494 1.00 0.00 C ATOM 352 O PHE A 22 -6.943 -5.757 -0.952 1.00 0.00 O ATOM 353 CB PHE A 22 -7.195 -2.950 -0.478 1.00 0.00 C ATOM 354 CG PHE A 22 -6.218 -2.591 -1.576 1.00 0.00 C ATOM 355 CD1 PHE A 22 -6.541 -1.630 -2.523 1.00 0.00 C ATOM 356 CD2 PHE A 22 -4.979 -3.215 -1.662 1.00 0.00 C ATOM 357 CE1 PHE A 22 -5.654 -1.300 -3.530 1.00 0.00 C ATOM 358 CE2 PHE A 22 -4.091 -2.889 -2.666 1.00 0.00 C ATOM 359 CZ PHE A 22 -4.427 -1.930 -3.601 1.00 0.00 C ATOM 0 H PHE A 22 -8.871 -4.305 1.034 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.900 -3.289 -1.746 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.583 -2.032 -0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.660 -3.481 0.310 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.499 -1.133 -2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.708 -3.965 -0.933 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.920 -0.550 -4.261 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.133 -3.384 -2.721 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.732 -1.673 -4.386 1.00 0.00 H new ATOM 369 N GLU A 23 -8.510 -5.643 -2.557 1.00 0.00 N ATOM 370 CA GLU A 23 -8.110 -6.904 -3.191 1.00 0.00 C ATOM 371 C GLU A 23 -6.980 -6.666 -4.203 1.00 0.00 C ATOM 372 O GLU A 23 -6.469 -7.601 -4.821 1.00 0.00 O ATOM 373 CB GLU A 23 -9.318 -7.566 -3.876 1.00 0.00 C ATOM 374 CG GLU A 23 -10.455 -7.911 -2.914 1.00 0.00 C ATOM 375 CD GLU A 23 -11.624 -8.607 -3.596 1.00 0.00 C ATOM 376 OE1 GLU A 23 -11.622 -9.856 -3.669 1.00 0.00 O ATOM 377 OE2 GLU A 23 -12.554 -7.912 -4.056 1.00 0.00 O ATOM 0 H GLU A 23 -9.305 -5.183 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.739 -7.576 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.698 -6.898 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.987 -8.477 -4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.070 -8.553 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.811 -6.997 -2.439 1.00 0.00 H new ATOM 384 N GLY A 24 -6.597 -5.400 -4.359 1.00 0.00 N ATOM 385 CA GLY A 24 -5.517 -5.037 -5.264 1.00 0.00 C ATOM 386 C GLY A 24 -5.978 -4.170 -6.432 1.00 0.00 C ATOM 387 O GLY A 24 -7.125 -4.269 -6.879 1.00 0.00 O ATOM 0 H GLY A 24 -7.020 -4.612 -3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.747 -4.504 -4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.057 -5.945 -5.653 1.00 0.00 H new ATOM 391 N SER A 25 -5.091 -3.302 -6.916 1.00 0.00 N ATOM 392 CA SER A 25 -5.364 -2.511 -8.123 1.00 0.00 C ATOM 393 C SER A 25 -5.268 -3.396 -9.372 1.00 0.00 C ATOM 394 O SER A 25 -4.994 -4.589 -9.265 1.00 0.00 O ATOM 395 CB SER A 25 -4.381 -1.337 -8.232 1.00 0.00 C ATOM 396 OG SER A 25 -4.518 -0.446 -7.136 1.00 0.00 O ATOM 0 H SER A 25 -4.179 -3.126 -6.495 1.00 0.00 H new ATOM 0 HA SER A 25 -6.376 -2.112 -8.051 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.360 -1.717 -8.269 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.555 -0.800 -9.164 1.00 0.00 H new ATOM 0 HG SER A 25 -5.029 0.342 -7.417 1.00 0.00 H new ATOM 402 N ALA A 26 -5.483 -2.815 -10.554 1.00 0.00 N ATOM 403 CA ALA A 26 -5.472 -3.585 -11.812 1.00 0.00 C ATOM 404 C ALA A 26 -4.269 -4.549 -11.902 1.00 0.00 C ATOM 405 O ALA A 26 -4.426 -5.727 -12.223 1.00 0.00 O ATOM 406 CB ALA A 26 -5.489 -2.642 -13.009 1.00 0.00 C ATOM 0 H ALA A 26 -5.667 -1.819 -10.673 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.374 -4.197 -11.823 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.481 -3.224 -13.931 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.389 -2.028 -12.976 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.610 -1.999 -12.978 1.00 0.00 H new ATOM 412 N VAL A 27 -3.072 -4.047 -11.603 1.00 0.00 N ATOM 413 CA VAL A 27 -1.862 -4.882 -11.621 1.00 0.00 C ATOM 414 C VAL A 27 -1.866 -5.930 -10.488 1.00 0.00 C ATOM 415 O VAL A 27 -1.734 -7.129 -10.744 1.00 0.00 O ATOM 416 CB VAL A 27 -0.577 -4.023 -11.515 1.00 0.00 C ATOM 417 CG1 VAL A 27 0.674 -4.901 -11.575 1.00 0.00 C ATOM 418 CG2 VAL A 27 -0.546 -2.962 -12.613 1.00 0.00 C ATOM 0 H VAL A 27 -2.910 -3.073 -11.346 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.866 -5.403 -12.578 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.587 -3.517 -10.550 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.562 -4.274 -11.499 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.659 -5.612 -10.749 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.693 -5.443 -12.520 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.364 -2.370 -12.521 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.566 -3.447 -13.589 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.414 -2.311 -12.514 1.00 0.00 H new ATOM 428 N ASP A 28 -2.016 -5.467 -9.242 1.00 0.00 N ATOM 429 CA ASP A 28 -1.997 -6.348 -8.062 1.00 0.00 C ATOM 430 C ASP A 28 -3.025 -7.488 -8.171 1.00 0.00 C ATOM 431 O ASP A 28 -2.688 -8.660 -8.000 1.00 0.00 O ATOM 432 CB ASP A 28 -2.262 -5.529 -6.792 1.00 0.00 C ATOM 433 CG ASP A 28 -1.252 -4.411 -6.601 1.00 0.00 C ATOM 434 OD1 ASP A 28 -1.358 -3.386 -7.305 1.00 0.00 O ATOM 435 OD2 ASP A 28 -0.344 -4.551 -5.750 1.00 0.00 O ATOM 0 H ASP A 28 -2.153 -4.481 -9.021 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.007 -6.802 -8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.265 -5.104 -6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.236 -6.190 -5.925 1.00 0.00 H new ATOM 440 N LEU A 29 -4.275 -7.135 -8.459 1.00 0.00 N ATOM 441 CA LEU A 29 -5.353 -8.122 -8.597 1.00 0.00 C ATOM 442 C LEU A 29 -5.075 -9.093 -9.759 1.00 0.00 C ATOM 443 O LEU A 29 -5.378 -10.287 -9.673 1.00 0.00 O ATOM 444 CB LEU A 29 -6.699 -7.407 -8.807 1.00 0.00 C ATOM 445 CG LEU A 29 -7.940 -8.318 -8.811 1.00 0.00 C ATOM 446 CD1 LEU A 29 -8.085 -9.047 -7.475 1.00 0.00 C ATOM 447 CD2 LEU A 29 -9.201 -7.514 -9.125 1.00 0.00 C ATOM 0 H LEU A 29 -4.572 -6.170 -8.603 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.399 -8.706 -7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.820 -6.661 -8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.661 -6.870 -9.755 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.807 -9.065 -9.593 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.969 -9.684 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.201 -9.660 -7.297 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.189 -8.317 -6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.066 -8.178 -9.123 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.336 -6.739 -8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.102 -7.051 -10.107 1.00 0.00 H new ATOM 459 N ALA A 30 -4.489 -8.574 -10.843 1.00 0.00 N ATOM 460 CA ALA A 30 -4.092 -9.409 -11.985 1.00 0.00 C ATOM 461 C ALA A 30 -3.105 -10.508 -11.562 1.00 0.00 C ATOM 462 O ALA A 30 -3.158 -11.636 -12.056 1.00 0.00 O ATOM 463 CB ALA A 30 -3.483 -8.544 -13.080 1.00 0.00 C ATOM 0 H ALA A 30 -4.279 -7.582 -10.955 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.987 -9.897 -12.371 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.192 -9.173 -13.921 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.216 -7.809 -13.413 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.604 -8.030 -12.691 1.00 0.00 H new ATOM 469 N ASP A 31 -2.196 -10.164 -10.650 1.00 0.00 N ATOM 470 CA ASP A 31 -1.261 -11.138 -10.081 1.00 0.00 C ATOM 471 C ASP A 31 -1.941 -11.996 -9.005 1.00 0.00 C ATOM 472 O ASP A 31 -1.630 -13.177 -8.845 1.00 0.00 O ATOM 473 CB ASP A 31 -0.042 -10.422 -9.480 1.00 0.00 C ATOM 474 CG ASP A 31 0.792 -9.716 -10.532 1.00 0.00 C ATOM 475 OD1 ASP A 31 1.309 -10.405 -11.436 1.00 0.00 O ATOM 476 OD2 ASP A 31 0.938 -8.475 -10.465 1.00 0.00 O ATOM 0 H ASP A 31 -2.086 -9.217 -10.288 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.931 -11.793 -10.887 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.379 -9.696 -8.740 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.579 -11.147 -8.955 1.00 0.00 H new ATOM 481 N GLY A 32 -2.875 -11.392 -8.276 1.00 0.00 N ATOM 482 CA GLY A 32 -3.521 -12.073 -7.159 1.00 0.00 C ATOM 483 C GLY A 32 -2.756 -11.891 -5.853 1.00 0.00 C ATOM 484 O GLY A 32 -3.212 -12.303 -4.787 1.00 0.00 O ATOM 0 H GLY A 32 -3.200 -10.439 -8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.535 -11.691 -7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.605 -13.136 -7.384 1.00 0.00 H new ATOM 488 N PHE A 33 -1.583 -11.264 -5.946 1.00 0.00 N ATOM 489 CA PHE A 33 -0.722 -11.031 -4.785 1.00 0.00 C ATOM 490 C PHE A 33 -0.401 -9.537 -4.645 1.00 0.00 C ATOM 491 O PHE A 33 0.311 -8.965 -5.477 1.00 0.00 O ATOM 492 CB PHE A 33 0.582 -11.830 -4.926 1.00 0.00 C ATOM 493 CG PHE A 33 0.368 -13.283 -5.270 1.00 0.00 C ATOM 494 CD1 PHE A 33 -0.336 -14.115 -4.413 1.00 0.00 C ATOM 495 CD2 PHE A 33 0.870 -13.814 -6.452 1.00 0.00 C ATOM 496 CE1 PHE A 33 -0.536 -15.445 -4.727 1.00 0.00 C ATOM 497 CE2 PHE A 33 0.674 -15.143 -6.767 1.00 0.00 C ATOM 498 CZ PHE A 33 -0.030 -15.959 -5.903 1.00 0.00 C ATOM 0 H PHE A 33 -1.204 -10.905 -6.822 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.251 -11.362 -3.892 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.198 -11.370 -5.698 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.140 -11.765 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.732 -13.719 -3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.420 -13.179 -7.132 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.088 -16.082 -4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.070 -15.545 -7.688 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.184 -16.999 -6.148 1.00 0.00 H new ATOM 508 N ILE A 34 -0.924 -8.910 -3.595 1.00 0.00 N ATOM 509 CA ILE A 34 -0.713 -7.477 -3.368 1.00 0.00 C ATOM 510 C ILE A 34 0.779 -7.160 -3.161 1.00 0.00 C ATOM 511 O ILE A 34 1.383 -7.574 -2.172 1.00 0.00 O ATOM 512 CB ILE A 34 -1.527 -6.974 -2.147 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.024 -7.261 -2.353 1.00 0.00 C ATOM 514 CG2 ILE A 34 -1.292 -5.479 -1.914 1.00 0.00 C ATOM 515 CD1 ILE A 34 -3.895 -6.846 -1.187 1.00 0.00 C ATOM 0 H ILE A 34 -1.497 -9.368 -2.886 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.063 -6.957 -4.260 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.187 -7.510 -1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.363 -6.742 -3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.158 -8.328 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.873 -5.149 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.233 -5.302 -1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.602 -4.920 -2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.936 -7.081 -1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.584 -7.384 -0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.793 -5.774 -1.020 1.00 0.00 H new ATOM 527 N HIS A 35 1.371 -6.429 -4.103 1.00 0.00 N ATOM 528 CA HIS A 35 2.804 -6.115 -4.048 1.00 0.00 C ATOM 529 C HIS A 35 3.061 -4.665 -3.610 1.00 0.00 C ATOM 530 O HIS A 35 2.554 -3.716 -4.213 1.00 0.00 O ATOM 531 CB HIS A 35 3.482 -6.418 -5.398 1.00 0.00 C ATOM 532 CG HIS A 35 2.615 -6.197 -6.607 1.00 0.00 C ATOM 533 ND1 HIS A 35 2.463 -4.972 -7.213 1.00 0.00 N ATOM 534 CD2 HIS A 35 1.881 -7.070 -7.343 1.00 0.00 C ATOM 535 CE1 HIS A 35 1.679 -5.098 -8.266 1.00 0.00 C ATOM 536 NE2 HIS A 35 1.311 -6.362 -8.372 1.00 0.00 N ATOM 0 H HIS A 35 0.886 -6.042 -4.913 1.00 0.00 H new ATOM 0 HA HIS A 35 3.249 -6.759 -3.289 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.372 -5.795 -5.489 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.818 -7.455 -5.395 1.00 0.00 H new ATOM 0 HD1 HIS A 35 2.890 -4.101 -6.897 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.766 -8.127 -7.154 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.386 -4.299 -8.932 1.00 0.00 H new ATOM 545 N LEU A 36 3.846 -4.510 -2.541 1.00 0.00 N ATOM 546 CA LEU A 36 4.179 -3.191 -1.989 1.00 0.00 C ATOM 547 C LEU A 36 5.661 -2.847 -2.224 1.00 0.00 C ATOM 548 O LEU A 36 6.462 -3.717 -2.571 1.00 0.00 O ATOM 549 CB LEU A 36 3.867 -3.141 -0.479 1.00 0.00 C ATOM 550 CG LEU A 36 2.410 -3.458 -0.078 1.00 0.00 C ATOM 551 CD1 LEU A 36 2.118 -4.959 -0.155 1.00 0.00 C ATOM 552 CD2 LEU A 36 2.105 -2.917 1.318 1.00 0.00 C ATOM 0 H LEU A 36 4.267 -5.289 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 36 3.566 -2.453 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.525 -3.845 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.116 -2.146 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 36 1.755 -2.960 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.083 -5.144 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.278 -5.309 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.785 -5.495 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.073 -3.151 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.778 -3.377 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.246 -1.836 1.328 1.00 0.00 H new ATOM 564 N SER A 37 6.023 -1.581 -2.019 1.00 0.00 N ATOM 565 CA SER A 37 7.408 -1.123 -2.221 1.00 0.00 C ATOM 566 C SER A 37 8.065 -0.763 -0.879 1.00 0.00 C ATOM 567 O SER A 37 7.633 0.162 -0.193 1.00 0.00 O ATOM 568 CB SER A 37 7.440 0.089 -3.163 1.00 0.00 C ATOM 569 OG SER A 37 6.885 -0.221 -4.434 1.00 0.00 O ATOM 0 H SER A 37 5.381 -0.850 -1.713 1.00 0.00 H new ATOM 0 HA SER A 37 7.971 -1.938 -2.675 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.886 0.914 -2.715 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.469 0.427 -3.287 1.00 0.00 H new ATOM 0 HG SER A 37 7.279 0.364 -5.114 1.00 0.00 H new ATOM 575 N ALA A 38 9.114 -1.495 -0.511 1.00 0.00 N ATOM 576 CA ALA A 38 9.766 -1.319 0.795 1.00 0.00 C ATOM 577 C ALA A 38 10.800 -0.177 0.811 1.00 0.00 C ATOM 578 O ALA A 38 11.656 -0.082 -0.072 1.00 0.00 O ATOM 579 CB ALA A 38 10.433 -2.622 1.216 1.00 0.00 C ATOM 0 H ALA A 38 9.535 -2.217 -1.095 1.00 0.00 H new ATOM 0 HA ALA A 38 8.983 -1.044 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.915 -2.488 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.681 -3.408 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.180 -2.904 0.475 1.00 0.00 H new ATOM 585 N GLY A 39 10.697 0.685 1.827 1.00 0.00 N ATOM 586 CA GLY A 39 11.719 1.698 2.102 1.00 0.00 C ATOM 587 C GLY A 39 12.047 2.621 0.929 1.00 0.00 C ATOM 588 O GLY A 39 11.156 3.220 0.322 1.00 0.00 O ATOM 0 H GLY A 39 9.910 0.701 2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.388 2.308 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.633 1.194 2.415 1.00 0.00 H new ATOM 592 N GLU A 40 13.337 2.728 0.608 1.00 0.00 N ATOM 593 CA GLU A 40 13.815 3.648 -0.432 1.00 0.00 C ATOM 594 C GLU A 40 13.300 3.252 -1.828 1.00 0.00 C ATOM 595 O GLU A 40 13.277 4.073 -2.751 1.00 0.00 O ATOM 596 CB GLU A 40 15.351 3.710 -0.410 1.00 0.00 C ATOM 597 CG GLU A 40 15.914 4.241 0.908 1.00 0.00 C ATOM 598 CD GLU A 40 17.436 4.274 0.945 1.00 0.00 C ATOM 599 OE1 GLU A 40 18.028 5.275 0.488 1.00 0.00 O ATOM 600 OE2 GLU A 40 18.049 3.309 1.449 1.00 0.00 O ATOM 0 H GLU A 40 14.076 2.186 1.055 1.00 0.00 H new ATOM 0 HA GLU A 40 13.416 4.639 -0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.751 2.713 -0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.694 4.346 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.532 5.247 1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.551 3.619 1.726 1.00 0.00 H new ATOM 607 N GLN A 41 12.871 1.999 -1.976 1.00 0.00 N ATOM 608 CA GLN A 41 12.252 1.538 -3.221 1.00 0.00 C ATOM 609 C GLN A 41 10.870 2.184 -3.413 1.00 0.00 C ATOM 610 O GLN A 41 10.416 2.383 -4.541 1.00 0.00 O ATOM 611 CB GLN A 41 12.130 0.009 -3.225 1.00 0.00 C ATOM 612 CG GLN A 41 13.472 -0.720 -3.221 1.00 0.00 C ATOM 613 CD GLN A 41 13.321 -2.232 -3.165 1.00 0.00 C ATOM 614 OE1 GLN A 41 14.135 -2.974 -3.705 1.00 0.00 O ATOM 615 NE2 GLN A 41 12.291 -2.703 -2.493 1.00 0.00 N ATOM 0 H GLN A 41 12.940 1.285 -1.251 1.00 0.00 H new ATOM 0 HA GLN A 41 12.891 1.839 -4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.556 -0.302 -2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.564 -0.298 -4.104 1.00 0.00 H new ATOM 0 HG2 GLN A 41 14.031 -0.448 -4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.059 -0.386 -2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.631 -2.060 -2.055 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.153 -3.710 -2.411 1.00 0.00 H new ATOM 624 N ALA A 42 10.204 2.512 -2.303 1.00 0.00 N ATOM 625 CA ALA A 42 8.925 3.231 -2.351 1.00 0.00 C ATOM 626 C ALA A 42 9.120 4.655 -2.886 1.00 0.00 C ATOM 627 O ALA A 42 8.356 5.129 -3.728 1.00 0.00 O ATOM 628 CB ALA A 42 8.278 3.263 -0.971 1.00 0.00 C ATOM 0 H ALA A 42 10.527 2.292 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 42 8.261 2.699 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.331 3.800 -1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.098 2.244 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.942 3.769 -0.270 1.00 0.00 H new ATOM 634 N GLN A 43 10.159 5.328 -2.393 1.00 0.00 N ATOM 635 CA GLN A 43 10.527 6.658 -2.886 1.00 0.00 C ATOM 636 C GLN A 43 10.891 6.613 -4.378 1.00 0.00 C ATOM 637 O GLN A 43 10.510 7.497 -5.148 1.00 0.00 O ATOM 638 CB GLN A 43 11.690 7.222 -2.053 1.00 0.00 C ATOM 639 CG GLN A 43 12.243 8.560 -2.548 1.00 0.00 C ATOM 640 CD GLN A 43 11.181 9.639 -2.731 1.00 0.00 C ATOM 641 OE1 GLN A 43 11.318 10.516 -3.572 1.00 0.00 O ATOM 642 NE2 GLN A 43 10.117 9.590 -1.952 1.00 0.00 N ATOM 0 H GLN A 43 10.763 4.974 -1.651 1.00 0.00 H new ATOM 0 HA GLN A 43 9.667 7.319 -2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.356 7.342 -1.022 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.499 6.492 -2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.991 8.917 -1.840 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.753 8.402 -3.498 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.027 8.848 -1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.385 10.294 -2.044 1.00 0.00 H new ATOM 651 N GLU A 44 11.621 5.573 -4.786 1.00 0.00 N ATOM 652 CA GLU A 44 11.932 5.370 -6.203 1.00 0.00 C ATOM 653 C GLU A 44 10.642 5.196 -7.021 1.00 0.00 C ATOM 654 O GLU A 44 10.444 5.868 -8.031 1.00 0.00 O ATOM 655 CB GLU A 44 12.840 4.147 -6.397 1.00 0.00 C ATOM 656 CG GLU A 44 13.341 3.990 -7.832 1.00 0.00 C ATOM 657 CD GLU A 44 14.081 2.684 -8.070 1.00 0.00 C ATOM 658 OE1 GLU A 44 15.220 2.534 -7.574 1.00 0.00 O ATOM 659 OE2 GLU A 44 13.534 1.810 -8.777 1.00 0.00 O ATOM 0 H GLU A 44 12.005 4.864 -4.162 1.00 0.00 H new ATOM 0 HA GLU A 44 12.460 6.255 -6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.696 4.228 -5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.294 3.248 -6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.493 4.049 -8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.002 4.823 -8.072 1.00 0.00 H new ATOM 666 N THR A 45 9.755 4.304 -6.561 1.00 0.00 N ATOM 667 CA THR A 45 8.459 4.078 -7.229 1.00 0.00 C ATOM 668 C THR A 45 7.656 5.382 -7.323 1.00 0.00 C ATOM 669 O THR A 45 6.950 5.624 -8.304 1.00 0.00 O ATOM 670 CB THR A 45 7.595 3.013 -6.501 1.00 0.00 C ATOM 671 OG1 THR A 45 8.320 1.776 -6.369 1.00 0.00 O ATOM 672 CG2 THR A 45 6.294 2.754 -7.260 1.00 0.00 C ATOM 0 H THR A 45 9.907 3.728 -5.733 1.00 0.00 H new ATOM 0 HA THR A 45 8.693 3.710 -8.228 1.00 0.00 H new ATOM 0 HB THR A 45 7.358 3.401 -5.510 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.069 1.900 -5.750 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.707 2.004 -6.730 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.723 3.680 -7.330 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.523 2.393 -8.263 1.00 0.00 H new ATOM 680 N ALA A 46 7.774 6.219 -6.296 1.00 0.00 N ATOM 681 CA ALA A 46 7.154 7.545 -6.301 1.00 0.00 C ATOM 682 C ALA A 46 7.670 8.390 -7.477 1.00 0.00 C ATOM 683 O ALA A 46 6.904 9.086 -8.140 1.00 0.00 O ATOM 684 CB ALA A 46 7.421 8.254 -4.977 1.00 0.00 C ATOM 0 H ALA A 46 8.295 6.003 -5.446 1.00 0.00 H new ATOM 0 HA ALA A 46 6.078 7.420 -6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.955 9.239 -4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.003 7.667 -4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.496 8.363 -4.833 1.00 0.00 H new ATOM 690 N ALA A 47 8.973 8.306 -7.737 1.00 0.00 N ATOM 691 CA ALA A 47 9.600 9.039 -8.847 1.00 0.00 C ATOM 692 C ALA A 47 9.479 8.279 -10.183 1.00 0.00 C ATOM 693 O ALA A 47 9.809 8.811 -11.246 1.00 0.00 O ATOM 694 CB ALA A 47 11.066 9.312 -8.520 1.00 0.00 C ATOM 0 H ALA A 47 9.622 7.736 -7.194 1.00 0.00 H new ATOM 0 HA ALA A 47 9.070 9.984 -8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.528 9.855 -9.345 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.131 9.909 -7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.588 8.367 -8.371 1.00 0.00 H new ATOM 700 N LYS A 48 9.034 7.025 -10.118 1.00 0.00 N ATOM 701 CA LYS A 48 8.810 6.205 -11.308 1.00 0.00 C ATOM 702 C LYS A 48 7.371 6.355 -11.846 1.00 0.00 C ATOM 703 O LYS A 48 7.157 6.791 -12.979 1.00 0.00 O ATOM 704 CB LYS A 48 9.074 4.731 -10.970 1.00 0.00 C ATOM 705 CG LYS A 48 10.538 4.385 -10.695 1.00 0.00 C ATOM 706 CD LYS A 48 11.410 4.561 -11.933 1.00 0.00 C ATOM 707 CE LYS A 48 12.861 4.171 -11.669 1.00 0.00 C ATOM 708 NZ LYS A 48 12.999 2.750 -11.251 1.00 0.00 N ATOM 0 H LYS A 48 8.819 6.550 -9.241 1.00 0.00 H new ATOM 0 HA LYS A 48 9.496 6.547 -12.083 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.482 4.462 -10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.719 4.115 -11.796 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.916 5.019 -9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.607 3.355 -10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.013 3.953 -12.746 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.368 5.599 -12.262 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.450 4.341 -12.571 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.273 4.817 -10.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.929 2.390 -11.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.915 2.683 -10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.250 2.183 -11.697 1.00 0.00 H new ATOM 722 N TRP A 49 6.388 5.987 -11.020 1.00 0.00 N ATOM 723 CA TRP A 49 4.987 5.911 -11.459 1.00 0.00 C ATOM 724 C TRP A 49 4.095 7.006 -10.841 1.00 0.00 C ATOM 725 O TRP A 49 3.243 7.576 -11.527 1.00 0.00 O ATOM 726 CB TRP A 49 4.411 4.528 -11.118 1.00 0.00 C ATOM 727 CG TRP A 49 5.120 3.399 -11.809 1.00 0.00 C ATOM 728 CD1 TRP A 49 6.075 2.580 -11.278 1.00 0.00 C ATOM 729 CD2 TRP A 49 4.935 2.976 -13.165 1.00 0.00 C ATOM 730 NE1 TRP A 49 6.492 1.671 -12.219 1.00 0.00 N ATOM 731 CE2 TRP A 49 5.805 1.893 -13.385 1.00 0.00 C ATOM 732 CE3 TRP A 49 4.114 3.405 -14.212 1.00 0.00 C ATOM 733 CZ2 TRP A 49 5.880 1.235 -14.609 1.00 0.00 C ATOM 734 CZ3 TRP A 49 4.189 2.751 -15.427 1.00 0.00 C ATOM 735 CH2 TRP A 49 5.066 1.675 -15.616 1.00 0.00 C ATOM 0 H TRP A 49 6.534 5.736 -10.042 1.00 0.00 H new ATOM 0 HA TRP A 49 4.988 6.073 -12.537 1.00 0.00 H new ATOM 0 HB2 TRP A 49 4.466 4.376 -10.040 1.00 0.00 H new ATOM 0 HB3 TRP A 49 3.356 4.505 -11.390 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.448 2.639 -10.266 1.00 0.00 H new ATOM 0 HE1 TRP A 49 7.197 0.949 -12.074 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.434 4.232 -14.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 6.557 0.407 -14.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.561 3.075 -16.244 1.00 0.00 H new ATOM 0 HH2 TRP A 49 5.100 1.183 -16.577 1.00 0.00 H new ATOM 746 N PHE A 50 4.294 7.310 -9.556 1.00 0.00 N ATOM 747 CA PHE A 50 3.353 8.170 -8.808 1.00 0.00 C ATOM 748 C PHE A 50 3.793 9.643 -8.745 1.00 0.00 C ATOM 749 O PHE A 50 3.283 10.417 -7.934 1.00 0.00 O ATOM 750 CB PHE A 50 3.167 7.617 -7.387 1.00 0.00 C ATOM 751 CG PHE A 50 2.557 6.236 -7.360 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.181 6.069 -7.460 1.00 0.00 C ATOM 753 CD2 PHE A 50 3.357 5.106 -7.245 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.619 4.806 -7.445 1.00 0.00 C ATOM 755 CE2 PHE A 50 2.797 3.842 -7.228 1.00 0.00 C ATOM 756 CZ PHE A 50 1.429 3.691 -7.329 1.00 0.00 C ATOM 0 H PHE A 50 5.089 6.980 -9.009 1.00 0.00 H new ATOM 0 HA PHE A 50 2.408 8.152 -9.350 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.134 7.589 -6.886 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.533 8.298 -6.819 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.543 6.936 -7.550 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.429 5.216 -7.168 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.452 4.690 -7.524 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.431 2.972 -7.136 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.992 2.704 -7.317 1.00 0.00 H new ATOM 766 N ARG A 51 4.715 10.033 -9.614 1.00 0.00 N ATOM 767 CA ARG A 51 5.202 11.417 -9.654 1.00 0.00 C ATOM 768 C ARG A 51 4.188 12.360 -10.322 1.00 0.00 C ATOM 769 O ARG A 51 3.530 11.997 -11.300 1.00 0.00 O ATOM 770 CB ARG A 51 6.538 11.480 -10.402 1.00 0.00 C ATOM 771 CG ARG A 51 6.442 11.022 -11.853 1.00 0.00 C ATOM 772 CD ARG A 51 7.795 11.045 -12.543 1.00 0.00 C ATOM 773 NE ARG A 51 7.695 10.641 -13.939 1.00 0.00 N ATOM 774 CZ ARG A 51 8.556 9.878 -14.545 1.00 0.00 C ATOM 775 NH1 ARG A 51 9.562 9.377 -13.903 1.00 0.00 N ATOM 776 NH2 ARG A 51 8.395 9.602 -15.794 1.00 0.00 N ATOM 0 H ARG A 51 5.145 9.416 -10.303 1.00 0.00 H new ATOM 0 HA ARG A 51 5.339 11.749 -8.625 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.913 12.503 -10.376 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.267 10.860 -9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.033 10.012 -11.889 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.748 11.667 -12.392 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.217 12.048 -12.484 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.482 10.379 -12.020 1.00 0.00 H new ATOM 0 HE ARG A 51 6.897 10.979 -14.477 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.686 9.579 -12.911 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.231 8.780 -14.389 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.596 9.982 -16.301 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.067 9.004 -16.275 1.00 0.00 H new ATOM 790 N GLY A 52 4.064 13.569 -9.779 1.00 0.00 N ATOM 791 CA GLY A 52 3.202 14.585 -10.374 1.00 0.00 C ATOM 792 C GLY A 52 1.717 14.218 -10.403 1.00 0.00 C ATOM 793 O GLY A 52 0.962 14.747 -11.223 1.00 0.00 O ATOM 0 H GLY A 52 4.547 13.867 -8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.323 15.516 -9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.536 14.775 -11.394 1.00 0.00 H new ATOM 797 N GLN A 53 1.290 13.317 -9.519 1.00 0.00 N ATOM 798 CA GLN A 53 -0.128 12.932 -9.432 1.00 0.00 C ATOM 799 C GLN A 53 -0.842 13.675 -8.294 1.00 0.00 C ATOM 800 O GLN A 53 -0.255 13.936 -7.244 1.00 0.00 O ATOM 801 CB GLN A 53 -0.273 11.415 -9.235 1.00 0.00 C ATOM 802 CG GLN A 53 0.242 10.589 -10.410 1.00 0.00 C ATOM 803 CD GLN A 53 -0.087 9.106 -10.290 1.00 0.00 C ATOM 804 OE1 GLN A 53 -1.093 8.720 -9.703 1.00 0.00 O ATOM 805 NE2 GLN A 53 0.756 8.262 -10.846 1.00 0.00 N ATOM 0 H GLN A 53 1.898 12.839 -8.854 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.598 13.213 -10.375 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.265 11.122 -8.334 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.324 11.178 -9.070 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.187 10.976 -11.334 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.323 10.710 -10.485 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.584 8.611 -11.328 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.581 7.258 -10.795 1.00 0.00 H new ATOM 814 N ALA A 54 -2.113 14.014 -8.512 1.00 0.00 N ATOM 815 CA ALA A 54 -2.907 14.738 -7.511 1.00 0.00 C ATOM 816 C ALA A 54 -3.630 13.784 -6.550 1.00 0.00 C ATOM 817 O ALA A 54 -4.126 12.732 -6.961 1.00 0.00 O ATOM 818 CB ALA A 54 -3.924 15.642 -8.198 1.00 0.00 C ATOM 0 H ALA A 54 -2.618 13.800 -9.372 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.215 15.342 -6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.506 16.173 -7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.403 16.363 -8.828 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.591 15.038 -8.813 1.00 0.00 H new ATOM 824 N ASN A 55 -3.696 14.181 -5.276 1.00 0.00 N ATOM 825 CA ASN A 55 -4.397 13.415 -4.236 1.00 0.00 C ATOM 826 C ASN A 55 -3.803 12.005 -4.057 1.00 0.00 C ATOM 827 O ASN A 55 -4.325 11.021 -4.586 1.00 0.00 O ATOM 828 CB ASN A 55 -5.901 13.339 -4.549 1.00 0.00 C ATOM 829 CG ASN A 55 -6.548 14.713 -4.616 1.00 0.00 C ATOM 830 OD1 ASN A 55 -5.901 15.708 -4.930 1.00 0.00 O ATOM 831 ND2 ASN A 55 -7.833 14.782 -4.345 1.00 0.00 N ATOM 0 H ASN A 55 -3.266 15.041 -4.935 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.260 13.942 -3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.046 12.825 -5.499 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.399 12.743 -3.785 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.317 15.679 -4.393 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.346 13.939 -4.087 1.00 0.00 H new ATOM 838 N LEU A 56 -2.706 11.919 -3.305 1.00 0.00 N ATOM 839 CA LEU A 56 -2.001 10.647 -3.090 1.00 0.00 C ATOM 840 C LEU A 56 -2.069 10.199 -1.620 1.00 0.00 C ATOM 841 O LEU A 56 -2.174 11.020 -0.708 1.00 0.00 O ATOM 842 CB LEU A 56 -0.533 10.776 -3.527 1.00 0.00 C ATOM 843 CG LEU A 56 -0.312 11.055 -5.024 1.00 0.00 C ATOM 844 CD1 LEU A 56 1.170 11.248 -5.329 1.00 0.00 C ATOM 845 CD2 LEU A 56 -0.895 9.929 -5.877 1.00 0.00 C ATOM 0 H LEU A 56 -2.282 12.716 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.498 9.889 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.070 11.579 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.012 9.855 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.833 11.979 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.300 11.444 -6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.553 12.092 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.718 10.346 -5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.727 10.147 -6.932 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.409 8.988 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.966 9.847 -5.689 1.00 0.00 H new ATOM 857 N VAL A 57 -2.006 8.886 -1.404 1.00 0.00 N ATOM 858 CA VAL A 57 -2.045 8.303 -0.057 1.00 0.00 C ATOM 859 C VAL A 57 -0.901 7.294 0.134 1.00 0.00 C ATOM 860 O VAL A 57 -0.542 6.566 -0.797 1.00 0.00 O ATOM 861 CB VAL A 57 -3.395 7.582 0.209 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.453 7.030 1.634 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.569 8.518 -0.055 1.00 0.00 C ATOM 0 H VAL A 57 -1.927 8.196 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.933 9.125 0.650 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.467 6.741 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.409 6.531 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.642 6.317 1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.349 7.849 2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.504 7.992 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.498 9.385 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.545 8.847 -1.094 1.00 0.00 H new ATOM 873 N LEU A 58 -0.324 7.261 1.333 1.00 0.00 N ATOM 874 CA LEU A 58 0.716 6.284 1.665 1.00 0.00 C ATOM 875 C LEU A 58 0.199 5.273 2.697 1.00 0.00 C ATOM 876 O LEU A 58 0.053 5.592 3.879 1.00 0.00 O ATOM 877 CB LEU A 58 1.971 6.992 2.202 1.00 0.00 C ATOM 878 CG LEU A 58 3.129 6.057 2.605 1.00 0.00 C ATOM 879 CD1 LEU A 58 3.603 5.231 1.411 1.00 0.00 C ATOM 880 CD2 LEU A 58 4.286 6.854 3.205 1.00 0.00 C ATOM 0 H LEU A 58 -0.558 7.900 2.093 1.00 0.00 H new ATOM 0 HA LEU A 58 0.980 5.747 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.332 7.684 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.689 7.590 3.069 1.00 0.00 H new ATOM 0 HG LEU A 58 2.759 5.370 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.420 4.580 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.778 4.625 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.950 5.898 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.091 6.174 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.653 7.571 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.940 7.386 4.091 1.00 0.00 H new ATOM 892 N LEU A 59 -0.103 4.061 2.241 1.00 0.00 N ATOM 893 CA LEU A 59 -0.559 2.999 3.138 1.00 0.00 C ATOM 894 C LEU A 59 0.624 2.349 3.868 1.00 0.00 C ATOM 895 O LEU A 59 1.423 1.628 3.264 1.00 0.00 O ATOM 896 CB LEU A 59 -1.346 1.935 2.361 1.00 0.00 C ATOM 897 CG LEU A 59 -2.618 2.440 1.659 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.331 1.295 0.940 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.555 3.124 2.655 1.00 0.00 C ATOM 0 H LEU A 59 -0.041 3.788 1.260 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.217 3.450 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.688 1.495 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.623 1.137 3.050 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.323 3.178 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.228 1.675 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.665 0.864 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.610 0.529 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.447 3.473 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.841 2.415 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.045 3.973 3.110 1.00 0.00 H new ATOM 911 N ALA A 60 0.734 2.623 5.163 1.00 0.00 N ATOM 912 CA ALA A 60 1.797 2.055 5.994 1.00 0.00 C ATOM 913 C ALA A 60 1.236 0.998 6.952 1.00 0.00 C ATOM 914 O ALA A 60 0.388 1.296 7.795 1.00 0.00 O ATOM 915 CB ALA A 60 2.499 3.163 6.771 1.00 0.00 C ATOM 0 H ALA A 60 0.096 3.240 5.666 1.00 0.00 H new ATOM 0 HA ALA A 60 2.522 1.567 5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.288 2.732 7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.933 3.878 6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.778 3.672 7.410 1.00 0.00 H new ATOM 921 N VAL A 61 1.699 -0.242 6.807 1.00 0.00 N ATOM 922 CA VAL A 61 1.244 -1.351 7.656 1.00 0.00 C ATOM 923 C VAL A 61 2.432 -2.059 8.325 1.00 0.00 C ATOM 924 O VAL A 61 3.504 -2.188 7.730 1.00 0.00 O ATOM 925 CB VAL A 61 0.424 -2.389 6.840 1.00 0.00 C ATOM 926 CG1 VAL A 61 -0.126 -3.491 7.748 1.00 0.00 C ATOM 927 CG2 VAL A 61 -0.708 -1.708 6.069 1.00 0.00 C ATOM 0 H VAL A 61 2.392 -0.509 6.108 1.00 0.00 H new ATOM 0 HA VAL A 61 0.604 -0.920 8.426 1.00 0.00 H new ATOM 0 HB VAL A 61 1.097 -2.851 6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.696 -4.204 7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.701 -4.006 8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.776 -3.049 8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.266 -2.456 5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.376 -1.208 6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.289 -0.974 5.380 1.00 0.00 H new ATOM 937 N GLU A 62 2.248 -2.502 9.569 1.00 0.00 N ATOM 938 CA GLU A 62 3.289 -3.262 10.274 1.00 0.00 C ATOM 939 C GLU A 62 3.414 -4.683 9.698 1.00 0.00 C ATOM 940 O GLU A 62 2.437 -5.433 9.642 1.00 0.00 O ATOM 941 CB GLU A 62 2.997 -3.326 11.782 1.00 0.00 C ATOM 942 CG GLU A 62 4.017 -4.152 12.565 1.00 0.00 C ATOM 943 CD GLU A 62 3.723 -4.221 14.057 1.00 0.00 C ATOM 944 OE1 GLU A 62 2.564 -4.485 14.432 1.00 0.00 O ATOM 945 OE2 GLU A 62 4.656 -4.037 14.864 1.00 0.00 O ATOM 0 H GLU A 62 1.396 -2.351 10.109 1.00 0.00 H new ATOM 0 HA GLU A 62 4.236 -2.743 10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.976 -2.313 12.184 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.004 -3.750 11.934 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.042 -5.164 12.160 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.009 -3.725 12.417 1.00 0.00 H new ATOM 952 N ALA A 63 4.626 -5.052 9.292 1.00 0.00 N ATOM 953 CA ALA A 63 4.882 -6.352 8.657 1.00 0.00 C ATOM 954 C ALA A 63 5.044 -7.489 9.683 1.00 0.00 C ATOM 955 O ALA A 63 5.846 -8.406 9.488 1.00 0.00 O ATOM 956 CB ALA A 63 6.120 -6.251 7.776 1.00 0.00 C ATOM 0 H ALA A 63 5.456 -4.467 9.390 1.00 0.00 H new ATOM 0 HA ALA A 63 4.012 -6.601 8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.311 -7.215 7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.958 -5.496 7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.978 -5.969 8.386 1.00 0.00 H new ATOM 962 N GLU A 64 4.254 -7.440 10.754 1.00 0.00 N ATOM 963 CA GLU A 64 4.274 -8.474 11.790 1.00 0.00 C ATOM 964 C GLU A 64 3.773 -9.814 11.208 1.00 0.00 C ATOM 965 O GLU A 64 2.629 -9.910 10.763 1.00 0.00 O ATOM 966 CB GLU A 64 3.408 -8.020 12.983 1.00 0.00 C ATOM 967 CG GLU A 64 3.671 -8.755 14.301 1.00 0.00 C ATOM 968 CD GLU A 64 3.065 -10.150 14.363 1.00 0.00 C ATOM 969 OE1 GLU A 64 1.821 -10.260 14.401 1.00 0.00 O ATOM 970 OE2 GLU A 64 3.829 -11.138 14.411 1.00 0.00 O ATOM 0 H GLU A 64 3.586 -6.689 10.929 1.00 0.00 H new ATOM 0 HA GLU A 64 5.294 -8.625 12.143 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.569 -6.954 13.142 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.358 -8.148 12.718 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.747 -8.830 14.455 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.273 -8.160 15.123 1.00 0.00 H new ATOM 977 N PRO A 65 4.644 -10.848 11.189 1.00 0.00 N ATOM 978 CA PRO A 65 4.351 -12.167 10.593 1.00 0.00 C ATOM 979 C PRO A 65 2.982 -12.751 10.974 1.00 0.00 C ATOM 980 O PRO A 65 2.859 -13.537 11.914 1.00 0.00 O ATOM 981 CB PRO A 65 5.481 -13.055 11.127 1.00 0.00 C ATOM 982 CG PRO A 65 6.616 -12.119 11.360 1.00 0.00 C ATOM 983 CD PRO A 65 6.000 -10.796 11.749 1.00 0.00 C ATOM 0 HA PRO A 65 4.303 -12.095 9.506 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.188 -13.559 12.048 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.748 -13.831 10.410 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.271 -12.490 12.149 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.225 -12.015 10.462 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.979 -10.670 12.832 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.567 -9.959 11.342 1.00 0.00 H new ATOM 991 N LEU A 66 1.955 -12.322 10.253 1.00 0.00 N ATOM 992 CA LEU A 66 0.618 -12.921 10.366 1.00 0.00 C ATOM 993 C LEU A 66 0.706 -14.437 10.150 1.00 0.00 C ATOM 994 O LEU A 66 0.307 -15.236 10.999 1.00 0.00 O ATOM 995 CB LEU A 66 -0.364 -12.324 9.332 1.00 0.00 C ATOM 996 CG LEU A 66 -0.498 -10.784 9.305 1.00 0.00 C ATOM 997 CD1 LEU A 66 0.463 -10.161 8.288 1.00 0.00 C ATOM 998 CD2 LEU A 66 -1.941 -10.371 9.005 1.00 0.00 C ATOM 0 H LEU A 66 2.016 -11.559 9.579 1.00 0.00 H new ATOM 0 HA LEU A 66 0.244 -12.702 11.366 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.056 -12.655 8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.351 -12.748 9.517 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.230 -10.409 10.293 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.345 -9.077 8.292 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.489 -10.415 8.554 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.240 -10.546 7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.013 -9.283 8.991 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.238 -10.767 8.034 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.601 -10.768 9.776 1.00 0.00 H new ATOM 1010 N GLY A 67 1.256 -14.812 9.002 1.00 0.00 N ATOM 1011 CA GLY A 67 1.467 -16.211 8.671 1.00 0.00 C ATOM 1012 C GLY A 67 2.418 -16.377 7.496 1.00 0.00 C ATOM 1013 O GLY A 67 3.438 -15.693 7.415 1.00 0.00 O ATOM 0 H GLY A 67 1.565 -14.160 8.281 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.868 -16.733 9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.510 -16.676 8.433 1.00 0.00 H new ATOM 1017 N GLU A 68 2.082 -17.271 6.578 1.00 0.00 N ATOM 1018 CA GLU A 68 2.899 -17.505 5.381 1.00 0.00 C ATOM 1019 C GLU A 68 2.405 -16.649 4.193 1.00 0.00 C ATOM 1020 O GLU A 68 2.906 -16.758 3.075 1.00 0.00 O ATOM 1021 CB GLU A 68 2.855 -19.000 5.029 1.00 0.00 C ATOM 1022 CG GLU A 68 3.773 -19.412 3.883 1.00 0.00 C ATOM 1023 CD GLU A 68 3.566 -20.857 3.474 1.00 0.00 C ATOM 1024 OE1 GLU A 68 2.581 -21.137 2.759 1.00 0.00 O ATOM 1025 OE2 GLU A 68 4.370 -21.720 3.879 1.00 0.00 O ATOM 0 H GLU A 68 1.246 -17.853 6.634 1.00 0.00 H new ATOM 0 HA GLU A 68 3.928 -17.210 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.122 -19.576 5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.831 -19.269 4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.593 -18.764 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.811 -19.266 4.181 1.00 0.00 H new ATOM 1032 N ASP A 69 1.437 -15.775 4.456 1.00 0.00 N ATOM 1033 CA ASP A 69 0.823 -14.945 3.412 1.00 0.00 C ATOM 1034 C ASP A 69 1.677 -13.708 3.079 1.00 0.00 C ATOM 1035 O ASP A 69 1.874 -13.379 1.909 1.00 0.00 O ATOM 1036 CB ASP A 69 -0.583 -14.531 3.853 1.00 0.00 C ATOM 1037 CG ASP A 69 -0.615 -14.102 5.308 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -0.762 -14.982 6.183 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -0.487 -12.897 5.583 1.00 0.00 O ATOM 0 H ASP A 69 1.056 -15.619 5.389 1.00 0.00 H new ATOM 0 HA ASP A 69 0.760 -15.538 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.934 -13.712 3.225 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.270 -15.364 3.705 1.00 0.00 H new ATOM 1044 N LEU A 70 2.160 -13.013 4.106 1.00 0.00 N ATOM 1045 CA LEU A 70 3.064 -11.876 3.907 1.00 0.00 C ATOM 1046 C LEU A 70 4.506 -12.355 3.681 1.00 0.00 C ATOM 1047 O LEU A 70 5.200 -12.745 4.622 1.00 0.00 O ATOM 1048 CB LEU A 70 3.003 -10.920 5.108 1.00 0.00 C ATOM 1049 CG LEU A 70 3.929 -9.692 5.022 1.00 0.00 C ATOM 1050 CD1 LEU A 70 3.635 -8.868 3.768 1.00 0.00 C ATOM 1051 CD2 LEU A 70 3.794 -8.835 6.275 1.00 0.00 C ATOM 0 H LEU A 70 1.943 -13.214 5.082 1.00 0.00 H new ATOM 0 HA LEU A 70 2.738 -11.339 3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.976 -10.572 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.252 -11.480 6.009 1.00 0.00 H new ATOM 0 HG LEU A 70 4.958 -10.047 4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.303 -8.008 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.791 -9.485 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.601 -8.524 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.455 -7.972 6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.763 -8.495 6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.067 -9.424 7.150 1.00 0.00 H new ATOM 1063 N LYS A 71 4.950 -12.330 2.428 1.00 0.00 N ATOM 1064 CA LYS A 71 6.290 -12.810 2.074 1.00 0.00 C ATOM 1065 C LYS A 71 7.193 -11.672 1.573 1.00 0.00 C ATOM 1066 O LYS A 71 6.907 -11.041 0.554 1.00 0.00 O ATOM 1067 CB LYS A 71 6.189 -13.892 0.988 1.00 0.00 C ATOM 1068 CG LYS A 71 7.535 -14.504 0.601 1.00 0.00 C ATOM 1069 CD LYS A 71 7.436 -15.365 -0.658 1.00 0.00 C ATOM 1070 CE LYS A 71 7.086 -14.531 -1.884 1.00 0.00 C ATOM 1071 NZ LYS A 71 7.075 -15.338 -3.134 1.00 0.00 N ATOM 0 H LYS A 71 4.405 -11.984 1.638 1.00 0.00 H new ATOM 0 HA LYS A 71 6.737 -13.225 2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.527 -14.684 1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.728 -13.460 0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.261 -13.708 0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.907 -15.111 1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.384 -15.877 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.679 -16.135 -0.514 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.107 -14.073 -1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.806 -13.719 -1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.306 -14.727 -3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.780 -16.099 -3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.131 -15.752 -3.271 1.00 0.00 H new ATOM 1085 N TRP A 72 8.281 -11.410 2.293 1.00 0.00 N ATOM 1086 CA TRP A 72 9.316 -10.489 1.810 1.00 0.00 C ATOM 1087 C TRP A 72 10.093 -11.138 0.655 1.00 0.00 C ATOM 1088 O TRP A 72 10.995 -11.946 0.871 1.00 0.00 O ATOM 1089 CB TRP A 72 10.274 -10.095 2.944 1.00 0.00 C ATOM 1090 CG TRP A 72 9.651 -9.197 3.976 1.00 0.00 C ATOM 1091 CD1 TRP A 72 8.948 -9.574 5.084 1.00 0.00 C ATOM 1092 CD2 TRP A 72 9.686 -7.765 3.993 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.542 -8.464 5.785 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.983 -7.343 5.137 1.00 0.00 C ATOM 1095 CE3 TRP A 72 10.244 -6.800 3.151 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 8.824 -5.999 5.459 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 10.086 -5.466 3.472 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.381 -5.075 4.619 1.00 0.00 C ATOM 0 H TRP A 72 8.472 -11.818 3.208 1.00 0.00 H new ATOM 0 HA TRP A 72 8.831 -9.582 1.449 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.636 -11.000 3.433 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.143 -9.595 2.516 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.741 -10.595 5.368 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.000 -8.474 6.649 1.00 0.00 H new ATOM 0 HE3 TRP A 72 10.789 -7.092 2.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.280 -5.696 6.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.513 -4.711 2.828 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.276 -4.024 4.843 1.00 0.00 H new ATOM 1109 N GLU A 73 9.720 -10.791 -0.572 1.00 0.00 N ATOM 1110 CA GLU A 73 10.253 -11.460 -1.761 1.00 0.00 C ATOM 1111 C GLU A 73 11.396 -10.668 -2.411 1.00 0.00 C ATOM 1112 O GLU A 73 11.270 -9.470 -2.670 1.00 0.00 O ATOM 1113 CB GLU A 73 9.130 -11.663 -2.788 1.00 0.00 C ATOM 1114 CG GLU A 73 9.538 -12.496 -3.998 1.00 0.00 C ATOM 1115 CD GLU A 73 8.446 -12.558 -5.055 1.00 0.00 C ATOM 1116 OE1 GLU A 73 7.368 -13.130 -4.772 1.00 0.00 O ATOM 1117 OE2 GLU A 73 8.651 -12.012 -6.160 1.00 0.00 O ATOM 0 H GLU A 73 9.049 -10.049 -0.773 1.00 0.00 H new ATOM 0 HA GLU A 73 10.654 -12.421 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.285 -12.145 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.785 -10.688 -3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.442 -12.074 -4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.783 -13.507 -3.673 1.00 0.00 H new ATOM 1124 N ALA A 74 12.508 -11.347 -2.677 1.00 0.00 N ATOM 1125 CA ALA A 74 13.601 -10.764 -3.455 1.00 0.00 C ATOM 1126 C ALA A 74 13.400 -11.061 -4.949 1.00 0.00 C ATOM 1127 O ALA A 74 13.927 -12.043 -5.480 1.00 0.00 O ATOM 1128 CB ALA A 74 14.950 -11.290 -2.972 1.00 0.00 C ATOM 0 H ALA A 74 12.678 -12.303 -2.365 1.00 0.00 H new ATOM 0 HA ALA A 74 13.594 -9.683 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.748 -10.843 -3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.088 -11.029 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.979 -12.374 -3.083 1.00 0.00 H new ATOM 1134 N SER A 75 12.599 -10.226 -5.611 1.00 0.00 N ATOM 1135 CA SER A 75 12.250 -10.435 -7.025 1.00 0.00 C ATOM 1136 C SER A 75 13.492 -10.410 -7.928 1.00 0.00 C ATOM 1137 O SER A 75 14.067 -9.346 -8.179 1.00 0.00 O ATOM 1138 CB SER A 75 11.241 -9.376 -7.497 1.00 0.00 C ATOM 1139 OG SER A 75 10.020 -9.457 -6.770 1.00 0.00 O ATOM 0 H SER A 75 12.177 -9.396 -5.194 1.00 0.00 H new ATOM 0 HA SER A 75 11.796 -11.423 -7.102 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.672 -8.382 -7.376 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.042 -9.510 -8.560 1.00 0.00 H new ATOM 0 HG SER A 75 9.758 -10.396 -6.674 1.00 0.00 H new ATOM 1145 N ARG A 76 13.890 -11.593 -8.408 1.00 0.00 N ATOM 1146 CA ARG A 76 15.061 -11.761 -9.285 1.00 0.00 C ATOM 1147 C ARG A 76 16.377 -11.430 -8.553 1.00 0.00 C ATOM 1148 O ARG A 76 17.137 -12.330 -8.184 1.00 0.00 O ATOM 1149 CB ARG A 76 14.915 -10.907 -10.557 1.00 0.00 C ATOM 1150 CG ARG A 76 16.021 -11.130 -11.585 1.00 0.00 C ATOM 1151 CD ARG A 76 15.785 -10.314 -12.852 1.00 0.00 C ATOM 1152 NE ARG A 76 14.466 -10.574 -13.425 1.00 0.00 N ATOM 1153 CZ ARG A 76 14.063 -10.137 -14.584 1.00 0.00 C ATOM 1154 NH1 ARG A 76 14.837 -9.426 -15.337 1.00 0.00 N ATOM 1155 NH2 ARG A 76 12.868 -10.410 -14.983 1.00 0.00 N ATOM 0 H ARG A 76 13.408 -12.468 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 76 15.104 -12.811 -9.575 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.953 -11.125 -11.020 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.901 -9.854 -10.276 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.983 -10.857 -11.150 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.074 -12.189 -11.838 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.880 -9.252 -12.624 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.554 -10.552 -13.587 1.00 0.00 H new ATOM 0 HE ARG A 76 13.815 -11.138 -12.879 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.782 -9.198 -15.027 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.503 -9.093 -16.241 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.247 -10.964 -14.393 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.543 -10.072 -15.889 1.00 0.00 H new ATOM 1169 N GLY A 77 16.645 -10.142 -8.353 1.00 0.00 N ATOM 1170 CA GLY A 77 17.836 -9.720 -7.619 1.00 0.00 C ATOM 1171 C GLY A 77 17.563 -9.484 -6.134 1.00 0.00 C ATOM 1172 O GLY A 77 16.577 -9.982 -5.589 1.00 0.00 O ATOM 0 H GLY A 77 16.058 -9.377 -8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.611 -10.479 -7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.225 -8.803 -8.063 1.00 0.00 H new ATOM 1176 N GLY A 78 18.425 -8.711 -5.478 1.00 0.00 N ATOM 1177 CA GLY A 78 18.253 -8.426 -4.053 1.00 0.00 C ATOM 1178 C GLY A 78 17.236 -7.318 -3.775 1.00 0.00 C ATOM 1179 O GLY A 78 17.437 -6.487 -2.886 1.00 0.00 O ATOM 0 H GLY A 78 19.242 -8.274 -5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.936 -9.336 -3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.215 -8.141 -3.628 1.00 0.00 H new ATOM 1183 N ALA A 79 16.138 -7.311 -4.527 1.00 0.00 N ATOM 1184 CA ALA A 79 15.108 -6.277 -4.392 1.00 0.00 C ATOM 1185 C ALA A 79 14.025 -6.692 -3.383 1.00 0.00 C ATOM 1186 O ALA A 79 13.212 -7.576 -3.656 1.00 0.00 O ATOM 1187 CB ALA A 79 14.494 -5.981 -5.757 1.00 0.00 C ATOM 0 H ALA A 79 15.936 -8.012 -5.240 1.00 0.00 H new ATOM 0 HA ALA A 79 15.577 -5.371 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.729 -5.212 -5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.270 -5.630 -6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.044 -6.889 -6.158 1.00 0.00 H new ATOM 1193 N ARG A 80 14.022 -6.048 -2.217 1.00 0.00 N ATOM 1194 CA ARG A 80 13.088 -6.394 -1.135 1.00 0.00 C ATOM 1195 C ARG A 80 11.662 -5.881 -1.414 1.00 0.00 C ATOM 1196 O ARG A 80 11.327 -4.740 -1.092 1.00 0.00 O ATOM 1197 CB ARG A 80 13.597 -5.821 0.198 1.00 0.00 C ATOM 1198 CG ARG A 80 14.926 -6.410 0.665 1.00 0.00 C ATOM 1199 CD ARG A 80 15.456 -5.695 1.907 1.00 0.00 C ATOM 1200 NE ARG A 80 16.631 -6.361 2.471 1.00 0.00 N ATOM 1201 CZ ARG A 80 17.695 -5.741 2.906 1.00 0.00 C ATOM 1202 NH1 ARG A 80 17.820 -4.460 2.761 1.00 0.00 N ATOM 1203 NH2 ARG A 80 18.643 -6.416 3.467 1.00 0.00 N ATOM 0 H ARG A 80 14.656 -5.281 -1.992 1.00 0.00 H new ATOM 0 HA ARG A 80 13.041 -7.481 -1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.706 -4.741 0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.845 -5.996 0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 80 14.798 -7.470 0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.659 -6.336 -0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 80 15.712 -4.667 1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 80 14.670 -5.649 2.661 1.00 0.00 H new ATOM 0 HE ARG A 80 16.618 -7.379 2.528 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.083 -3.924 2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 80 18.656 -3.987 3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.558 -7.427 3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 80 19.476 -5.938 3.809 1.00 0.00 H new ATOM 1217 N PHE A 81 10.827 -6.720 -2.023 1.00 0.00 N ATOM 1218 CA PHE A 81 9.425 -6.365 -2.283 1.00 0.00 C ATOM 1219 C PHE A 81 8.448 -7.301 -1.544 1.00 0.00 C ATOM 1220 O PHE A 81 8.310 -8.477 -1.893 1.00 0.00 O ATOM 1221 CB PHE A 81 9.132 -6.379 -3.790 1.00 0.00 C ATOM 1222 CG PHE A 81 9.767 -5.232 -4.538 1.00 0.00 C ATOM 1223 CD1 PHE A 81 9.262 -3.944 -4.409 1.00 0.00 C ATOM 1224 CD2 PHE A 81 10.857 -5.436 -5.374 1.00 0.00 C ATOM 1225 CE1 PHE A 81 9.836 -2.886 -5.090 1.00 0.00 C ATOM 1226 CE2 PHE A 81 11.432 -4.380 -6.057 1.00 0.00 C ATOM 1227 CZ PHE A 81 10.919 -3.105 -5.918 1.00 0.00 C ATOM 0 H PHE A 81 11.092 -7.650 -2.347 1.00 0.00 H new ATOM 0 HA PHE A 81 9.273 -5.356 -1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.487 -7.319 -4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.053 -6.349 -3.943 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.410 -3.767 -3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.260 -6.431 -5.492 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.437 -1.889 -4.974 1.00 0.00 H new ATOM 0 HE2 PHE A 81 12.283 -4.552 -6.700 1.00 0.00 H new ATOM 0 HZ PHE A 81 11.364 -2.281 -6.456 1.00 0.00 H new ATOM 1237 N PRO A 82 7.754 -6.788 -0.507 1.00 0.00 N ATOM 1238 CA PRO A 82 6.765 -7.572 0.255 1.00 0.00 C ATOM 1239 C PRO A 82 5.507 -7.898 -0.572 1.00 0.00 C ATOM 1240 O PRO A 82 4.835 -7.002 -1.093 1.00 0.00 O ATOM 1241 CB PRO A 82 6.422 -6.654 1.438 1.00 0.00 C ATOM 1242 CG PRO A 82 6.708 -5.275 0.942 1.00 0.00 C ATOM 1243 CD PRO A 82 7.880 -5.409 0.007 1.00 0.00 C ATOM 0 HA PRO A 82 7.156 -8.544 0.555 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.378 -6.761 1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.026 -6.893 2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.843 -4.858 0.427 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.942 -4.603 1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.838 -4.675 -0.798 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.827 -5.259 0.526 1.00 0.00 H new ATOM 1251 N HIS A 83 5.206 -9.189 -0.708 1.00 0.00 N ATOM 1252 CA HIS A 83 4.034 -9.643 -1.465 1.00 0.00 C ATOM 1253 C HIS A 83 3.011 -10.343 -0.551 1.00 0.00 C ATOM 1254 O HIS A 83 3.324 -11.345 0.093 1.00 0.00 O ATOM 1255 CB HIS A 83 4.465 -10.594 -2.594 1.00 0.00 C ATOM 1256 CG HIS A 83 5.334 -9.953 -3.641 1.00 0.00 C ATOM 1257 ND1 HIS A 83 5.971 -10.666 -4.637 1.00 0.00 N ATOM 1258 CD2 HIS A 83 5.653 -8.653 -3.862 1.00 0.00 C ATOM 1259 CE1 HIS A 83 6.634 -9.837 -5.417 1.00 0.00 C ATOM 1260 NE2 HIS A 83 6.459 -8.614 -4.970 1.00 0.00 N ATOM 0 H HIS A 83 5.759 -9.944 -0.303 1.00 0.00 H new ATOM 0 HA HIS A 83 3.556 -8.764 -1.897 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.002 -11.437 -2.159 1.00 0.00 H new ATOM 0 HB3 HIS A 83 3.574 -10.997 -3.075 1.00 0.00 H new ATOM 0 HD1 HIS A 83 5.934 -11.679 -4.751 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.332 -7.806 -3.274 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.222 -10.116 -6.279 1.00 0.00 H new ATOM 1269 N LEU A 84 1.794 -9.801 -0.500 1.00 0.00 N ATOM 1270 CA LEU A 84 0.698 -10.399 0.273 1.00 0.00 C ATOM 1271 C LEU A 84 -0.091 -11.417 -0.557 1.00 0.00 C ATOM 1272 O LEU A 84 -0.673 -11.081 -1.588 1.00 0.00 O ATOM 1273 CB LEU A 84 -0.260 -9.310 0.789 1.00 0.00 C ATOM 1274 CG LEU A 84 0.133 -8.662 2.124 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -0.763 -7.462 2.429 1.00 0.00 C ATOM 1276 CD2 LEU A 84 0.061 -9.686 3.258 1.00 0.00 C ATOM 0 H LEU A 84 1.538 -8.942 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 84 1.149 -10.918 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.334 -8.528 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.254 -9.745 0.895 1.00 0.00 H new ATOM 0 HG LEU A 84 1.161 -8.308 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.466 -7.019 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.662 -6.721 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.801 -7.789 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.343 -9.209 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.956 -10.070 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.745 -10.509 3.049 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.116 -12.657 -0.086 1.00 0.00 N ATOM 1289 CA TYR A 85 -0.928 -13.712 -0.702 1.00 0.00 C ATOM 1290 C TYR A 85 -2.389 -13.655 -0.211 1.00 0.00 C ATOM 1291 O TYR A 85 -3.166 -14.584 -0.432 1.00 0.00 O ATOM 1292 CB TYR A 85 -0.309 -15.090 -0.403 1.00 0.00 C ATOM 1293 CG TYR A 85 0.997 -15.346 -1.146 1.00 0.00 C ATOM 1294 CD1 TYR A 85 2.084 -14.485 -1.010 1.00 0.00 C ATOM 1295 CD2 TYR A 85 1.135 -16.436 -2.003 1.00 0.00 C ATOM 1296 CE1 TYR A 85 3.262 -14.703 -1.700 1.00 0.00 C ATOM 1297 CE2 TYR A 85 2.310 -16.655 -2.699 1.00 0.00 C ATOM 1298 CZ TYR A 85 3.369 -15.788 -2.544 1.00 0.00 C ATOM 1299 OH TYR A 85 4.535 -16.001 -3.246 1.00 0.00 O ATOM 0 H TYR A 85 0.419 -12.964 0.726 1.00 0.00 H new ATOM 0 HA TYR A 85 -0.938 -13.552 -1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.130 -15.174 0.669 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.026 -15.867 -0.668 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.005 -13.631 -0.353 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.310 -17.122 -2.126 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.095 -14.026 -1.578 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.397 -17.503 -3.362 1.00 0.00 H new ATOM 0 HH TYR A 85 4.444 -16.809 -3.793 1.00 0.00 H new ATOM 1309 N ARG A 86 -2.762 -12.549 0.441 1.00 0.00 N ATOM 1310 CA ARG A 86 -4.135 -12.360 0.930 1.00 0.00 C ATOM 1311 C ARG A 86 -4.666 -10.956 0.574 1.00 0.00 C ATOM 1312 O ARG A 86 -3.904 -9.988 0.551 1.00 0.00 O ATOM 1313 CB ARG A 86 -4.201 -12.545 2.457 1.00 0.00 C ATOM 1314 CG ARG A 86 -3.513 -11.426 3.246 1.00 0.00 C ATOM 1315 CD ARG A 86 -3.895 -11.440 4.726 1.00 0.00 C ATOM 1316 NE ARG A 86 -3.384 -12.613 5.432 1.00 0.00 N ATOM 1317 CZ ARG A 86 -4.132 -13.577 5.909 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -5.419 -13.563 5.736 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -3.586 -14.555 6.557 1.00 0.00 N ATOM 0 H ARG A 86 -2.134 -11.771 0.643 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.757 -13.111 0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.246 -12.602 2.762 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.740 -13.498 2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.432 -11.529 3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.780 -10.462 2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.512 -10.538 5.204 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.981 -11.412 4.816 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.375 -12.686 5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.857 -12.797 5.225 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.992 -14.318 6.111 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.576 -14.574 6.695 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.166 -15.307 6.929 1.00 0.00 H new ATOM 1333 N PRO A 87 -5.978 -10.824 0.285 1.00 0.00 N ATOM 1334 CA PRO A 87 -6.619 -9.506 0.106 1.00 0.00 C ATOM 1335 C PRO A 87 -6.568 -8.664 1.395 1.00 0.00 C ATOM 1336 O PRO A 87 -6.871 -9.161 2.486 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.074 -9.855 -0.260 1.00 0.00 C ATOM 1338 CG PRO A 87 -8.022 -11.273 -0.726 1.00 0.00 C ATOM 1339 CD PRO A 87 -6.930 -11.927 0.077 1.00 0.00 C ATOM 0 HA PRO A 87 -6.117 -8.904 -0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.735 -9.745 0.600 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.454 -9.196 -1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -8.978 -11.773 -0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.808 -11.327 -1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.303 -12.323 1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.475 -12.759 -0.460 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.199 -7.391 1.267 1.00 0.00 N ATOM 1348 CA LEU A 88 -5.980 -6.523 2.432 1.00 0.00 C ATOM 1349 C LEU A 88 -7.239 -5.721 2.808 1.00 0.00 C ATOM 1350 O LEU A 88 -7.622 -4.784 2.114 1.00 0.00 O ATOM 1351 CB LEU A 88 -4.815 -5.560 2.152 1.00 0.00 C ATOM 1352 CG LEU A 88 -4.448 -4.608 3.307 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -4.007 -5.391 4.542 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -3.362 -3.629 2.871 1.00 0.00 C ATOM 0 H LEU A 88 -6.044 -6.933 0.369 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.738 -7.167 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.934 -6.148 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.064 -4.961 1.276 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.338 -4.037 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.754 -4.696 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.818 -6.041 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.134 -5.996 4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.116 -2.965 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.471 -4.182 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.721 -3.039 2.028 1.00 0.00 H new ATOM 1366 N LEU A 89 -7.881 -6.095 3.912 1.00 0.00 N ATOM 1367 CA LEU A 89 -9.018 -5.331 4.442 1.00 0.00 C ATOM 1368 C LEU A 89 -8.556 -3.947 4.930 1.00 0.00 C ATOM 1369 O LEU A 89 -7.543 -3.833 5.618 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.697 -6.097 5.598 1.00 0.00 C ATOM 1371 CG LEU A 89 -10.575 -7.301 5.198 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -11.765 -6.846 4.362 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -9.766 -8.360 4.450 1.00 0.00 C ATOM 0 H LEU A 89 -7.637 -6.920 4.459 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.742 -5.198 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.921 -6.450 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.314 -5.394 6.158 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.949 -7.756 6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.371 -7.711 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.369 -6.146 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.407 -6.355 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.416 -9.193 4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.346 -7.924 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.959 -8.719 5.088 1.00 0.00 H new ATOM 1385 N VAL A 90 -9.303 -2.898 4.589 1.00 0.00 N ATOM 1386 CA VAL A 90 -8.926 -1.536 4.957 1.00 0.00 C ATOM 1387 C VAL A 90 -8.842 -1.357 6.482 1.00 0.00 C ATOM 1388 O VAL A 90 -8.041 -0.568 6.984 1.00 0.00 O ATOM 1389 CB VAL A 90 -9.916 -0.516 4.356 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -9.999 -0.691 2.844 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -11.300 -0.629 4.998 1.00 0.00 C ATOM 0 H VAL A 90 -10.172 -2.966 4.059 1.00 0.00 H new ATOM 0 HA VAL A 90 -7.933 -1.354 4.546 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.542 0.485 4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.701 0.034 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.014 -0.533 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.342 -1.699 2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.970 0.105 4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.697 -1.631 4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.221 -0.441 6.069 1.00 0.00 H new ATOM 1401 N SER A 91 -9.658 -2.120 7.209 1.00 0.00 N ATOM 1402 CA SER A 91 -9.639 -2.113 8.681 1.00 0.00 C ATOM 1403 C SER A 91 -8.298 -2.624 9.232 1.00 0.00 C ATOM 1404 O SER A 91 -7.959 -2.391 10.394 1.00 0.00 O ATOM 1405 CB SER A 91 -10.784 -2.981 9.229 1.00 0.00 C ATOM 1406 OG SER A 91 -12.042 -2.565 8.714 1.00 0.00 O ATOM 0 H SER A 91 -10.346 -2.756 6.805 1.00 0.00 H new ATOM 0 HA SER A 91 -9.770 -1.081 9.007 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.609 -4.025 8.967 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.798 -2.923 10.317 1.00 0.00 H new ATOM 0 HG SER A 91 -12.750 -3.136 9.079 1.00 0.00 H new ATOM 1412 N GLU A 92 -7.537 -3.321 8.388 1.00 0.00 N ATOM 1413 CA GLU A 92 -6.253 -3.904 8.796 1.00 0.00 C ATOM 1414 C GLU A 92 -5.084 -2.931 8.551 1.00 0.00 C ATOM 1415 O GLU A 92 -4.016 -3.060 9.152 1.00 0.00 O ATOM 1416 CB GLU A 92 -6.025 -5.223 8.042 1.00 0.00 C ATOM 1417 CG GLU A 92 -4.794 -6.002 8.497 1.00 0.00 C ATOM 1418 CD GLU A 92 -4.831 -6.362 9.977 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -5.589 -7.281 10.356 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -4.104 -5.727 10.771 1.00 0.00 O ATOM 0 H GLU A 92 -7.786 -3.497 7.415 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.291 -4.101 9.867 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.905 -5.854 8.164 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.931 -5.008 6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.711 -6.916 7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.901 -5.410 8.295 1.00 0.00 H new ATOM 1427 N VAL A 93 -5.296 -1.946 7.680 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.264 -0.948 7.379 1.00 0.00 C ATOM 1429 C VAL A 93 -3.894 -0.142 8.635 1.00 0.00 C ATOM 1430 O VAL A 93 -4.726 0.583 9.184 1.00 0.00 O ATOM 1431 CB VAL A 93 -4.723 0.022 6.260 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -3.622 1.031 5.925 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -5.153 -0.753 5.013 1.00 0.00 C ATOM 0 H VAL A 93 -6.170 -1.815 7.170 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.385 -1.491 7.031 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.586 0.578 6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.969 1.700 5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.379 1.613 6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.733 0.500 5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.471 -0.052 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.314 -1.343 4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.981 -1.416 5.264 1.00 0.00 H new ATOM 1443 N THR A 94 -2.641 -0.279 9.078 1.00 0.00 N ATOM 1444 CA THR A 94 -2.160 0.372 10.309 1.00 0.00 C ATOM 1445 C THR A 94 -2.425 1.889 10.305 1.00 0.00 C ATOM 1446 O THR A 94 -2.873 2.449 11.307 1.00 0.00 O ATOM 1447 CB THR A 94 -0.645 0.121 10.527 1.00 0.00 C ATOM 1448 OG1 THR A 94 -0.360 -1.287 10.454 1.00 0.00 O ATOM 1449 CG2 THR A 94 -0.176 0.659 11.878 1.00 0.00 C ATOM 0 H THR A 94 -1.934 -0.838 8.601 1.00 0.00 H new ATOM 0 HA THR A 94 -2.722 -0.076 11.129 1.00 0.00 H new ATOM 0 HB THR A 94 -0.109 0.650 9.739 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.014 -1.590 11.308 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.890 0.466 11.996 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.357 1.733 11.925 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.726 0.163 12.678 1.00 0.00 H new ATOM 1457 N ARG A 95 -2.129 2.554 9.185 1.00 0.00 N ATOM 1458 CA ARG A 95 -2.459 3.977 9.027 1.00 0.00 C ATOM 1459 C ARG A 95 -2.432 4.415 7.553 1.00 0.00 C ATOM 1460 O ARG A 95 -1.639 3.912 6.751 1.00 0.00 O ATOM 1461 CB ARG A 95 -1.495 4.857 9.837 1.00 0.00 C ATOM 1462 CG ARG A 95 -1.898 6.331 9.874 1.00 0.00 C ATOM 1463 CD ARG A 95 -0.861 7.208 10.571 1.00 0.00 C ATOM 1464 NE ARG A 95 -1.316 8.595 10.669 1.00 0.00 N ATOM 1465 CZ ARG A 95 -0.595 9.641 10.365 1.00 0.00 C ATOM 1466 NH1 ARG A 95 0.633 9.514 9.973 1.00 0.00 N ATOM 1467 NH2 ARG A 95 -1.110 10.819 10.472 1.00 0.00 N ATOM 0 H ARG A 95 -1.665 2.136 8.379 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.473 4.106 9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.441 4.478 10.858 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -0.495 4.773 9.412 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -2.045 6.689 8.855 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.855 6.429 10.387 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.663 6.817 11.569 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.079 7.170 10.021 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.267 8.757 10.999 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.051 8.587 9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.182 10.341 9.739 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.072 10.928 10.792 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.555 11.642 10.237 1.00 0.00 H new ATOM 1481 N GLU A 96 -3.309 5.359 7.212 1.00 0.00 N ATOM 1482 CA GLU A 96 -3.329 5.973 5.881 1.00 0.00 C ATOM 1483 C GLU A 96 -2.664 7.363 5.926 1.00 0.00 C ATOM 1484 O GLU A 96 -3.289 8.367 6.283 1.00 0.00 O ATOM 1485 CB GLU A 96 -4.774 6.064 5.343 1.00 0.00 C ATOM 1486 CG GLU A 96 -5.750 6.809 6.256 1.00 0.00 C ATOM 1487 CD GLU A 96 -7.169 6.842 5.703 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -7.482 7.749 4.901 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -7.982 5.963 6.070 1.00 0.00 O ATOM 0 H GLU A 96 -4.023 5.719 7.845 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.759 5.344 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.755 6.560 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.150 5.054 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.758 6.333 7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.398 7.830 6.400 1.00 0.00 H new ATOM 1496 N ALA A 97 -1.378 7.407 5.587 1.00 0.00 N ATOM 1497 CA ALA A 97 -0.594 8.642 5.678 1.00 0.00 C ATOM 1498 C ALA A 97 -0.886 9.589 4.506 1.00 0.00 C ATOM 1499 O ALA A 97 -0.990 9.160 3.354 1.00 0.00 O ATOM 1500 CB ALA A 97 0.897 8.314 5.736 1.00 0.00 C ATOM 0 H ALA A 97 -0.853 6.602 5.246 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.886 9.154 6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.471 9.238 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.100 7.696 6.611 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.186 7.773 4.835 1.00 0.00 H new ATOM 1506 N ASP A 98 -1.012 10.879 4.804 1.00 0.00 N ATOM 1507 CA ASP A 98 -1.257 11.891 3.775 1.00 0.00 C ATOM 1508 C ASP A 98 0.032 12.180 2.987 1.00 0.00 C ATOM 1509 O ASP A 98 1.139 12.085 3.529 1.00 0.00 O ATOM 1510 CB ASP A 98 -1.796 13.170 4.422 1.00 0.00 C ATOM 1511 CG ASP A 98 -3.026 12.902 5.274 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -4.155 12.948 4.740 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -2.871 12.633 6.486 1.00 0.00 O ATOM 0 H ASP A 98 -0.949 11.251 5.752 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.002 11.512 3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.018 13.620 5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.044 13.893 3.645 1.00 0.00 H new ATOM 1518 N LEU A 99 -0.103 12.535 1.711 1.00 0.00 N ATOM 1519 CA LEU A 99 1.070 12.702 0.843 1.00 0.00 C ATOM 1520 C LEU A 99 0.938 13.914 -0.098 1.00 0.00 C ATOM 1521 O LEU A 99 -0.097 14.112 -0.738 1.00 0.00 O ATOM 1522 CB LEU A 99 1.285 11.415 0.034 1.00 0.00 C ATOM 1523 CG LEU A 99 2.567 11.356 -0.812 1.00 0.00 C ATOM 1524 CD1 LEU A 99 3.801 11.612 0.050 1.00 0.00 C ATOM 1525 CD2 LEU A 99 2.671 10.003 -1.514 1.00 0.00 C ATOM 0 H LEU A 99 -0.999 12.712 1.256 1.00 0.00 H new ATOM 0 HA LEU A 99 1.935 12.894 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.290 10.572 0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.430 11.279 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 99 2.518 12.140 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.695 11.565 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.728 12.599 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.862 10.855 0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.583 9.972 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.697 9.208 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.807 9.863 -2.164 1.00 0.00 H new ATOM 1537 N ASP A 100 2.001 14.719 -0.171 1.00 0.00 N ATOM 1538 CA ASP A 100 2.045 15.897 -1.051 1.00 0.00 C ATOM 1539 C ASP A 100 3.246 15.848 -2.016 1.00 0.00 C ATOM 1540 O ASP A 100 4.132 15.000 -1.893 1.00 0.00 O ATOM 1541 CB ASP A 100 2.124 17.181 -0.215 1.00 0.00 C ATOM 1542 CG ASP A 100 0.920 17.367 0.686 1.00 0.00 C ATOM 1543 OD1 ASP A 100 -0.152 17.754 0.178 1.00 0.00 O ATOM 1544 OD2 ASP A 100 1.042 17.134 1.906 1.00 0.00 O ATOM 0 H ASP A 100 2.852 14.577 0.373 1.00 0.00 H new ATOM 0 HA ASP A 100 1.129 15.892 -1.642 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.028 17.158 0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.210 18.039 -0.882 1.00 0.00 H new ATOM 1549 N LEU A 101 3.264 16.778 -2.972 1.00 0.00 N ATOM 1550 CA LEU A 101 4.370 16.900 -3.933 1.00 0.00 C ATOM 1551 C LEU A 101 5.236 18.132 -3.614 1.00 0.00 C ATOM 1552 O LEU A 101 4.735 19.133 -3.091 1.00 0.00 O ATOM 1553 CB LEU A 101 3.815 17.015 -5.362 1.00 0.00 C ATOM 1554 CG LEU A 101 2.859 15.888 -5.795 1.00 0.00 C ATOM 1555 CD1 LEU A 101 2.305 16.160 -7.190 1.00 0.00 C ATOM 1556 CD2 LEU A 101 3.564 14.534 -5.752 1.00 0.00 C ATOM 0 H LEU A 101 2.521 17.464 -3.105 1.00 0.00 H new ATOM 0 HA LEU A 101 4.991 16.007 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.292 17.967 -5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.654 17.043 -6.058 1.00 0.00 H new ATOM 0 HG LEU A 101 2.025 15.861 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.632 15.353 -7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.760 17.104 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.127 16.218 -7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.870 13.753 -6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.420 14.548 -6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.906 14.334 -4.737 1.00 0.00 H new ATOM 1568 N ASP A 102 6.527 18.061 -3.926 1.00 0.00 N ATOM 1569 CA ASP A 102 7.445 19.179 -3.677 1.00 0.00 C ATOM 1570 C ASP A 102 7.638 20.042 -4.942 1.00 0.00 C ATOM 1571 O ASP A 102 6.831 19.996 -5.874 1.00 0.00 O ATOM 1572 CB ASP A 102 8.795 18.632 -3.196 1.00 0.00 C ATOM 1573 CG ASP A 102 9.576 17.965 -4.311 1.00 0.00 C ATOM 1574 OD1 ASP A 102 9.096 16.954 -4.856 1.00 0.00 O ATOM 1575 OD2 ASP A 102 10.655 18.476 -4.668 1.00 0.00 O ATOM 0 H ASP A 102 6.965 17.244 -4.351 1.00 0.00 H new ATOM 0 HA ASP A 102 7.012 19.817 -2.906 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.386 19.447 -2.778 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.628 17.914 -2.393 1.00 0.00 H new ATOM 1580 N ALA A 103 8.711 20.834 -4.964 1.00 0.00 N ATOM 1581 CA ALA A 103 9.034 21.690 -6.114 1.00 0.00 C ATOM 1582 C ALA A 103 9.374 20.876 -7.381 1.00 0.00 C ATOM 1583 O ALA A 103 9.255 21.380 -8.502 1.00 0.00 O ATOM 1584 CB ALA A 103 10.189 22.624 -5.760 1.00 0.00 C ATOM 0 H ALA A 103 9.377 20.903 -4.195 1.00 0.00 H new ATOM 0 HA ALA A 103 8.144 22.276 -6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.422 23.255 -6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.904 23.251 -4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.066 22.034 -5.495 1.00 0.00 H new ATOM 1590 N ASP A 104 9.807 19.625 -7.207 1.00 0.00 N ATOM 1591 CA ASP A 104 10.108 18.746 -8.344 1.00 0.00 C ATOM 1592 C ASP A 104 8.901 17.868 -8.714 1.00 0.00 C ATOM 1593 O ASP A 104 8.901 17.202 -9.753 1.00 0.00 O ATOM 1594 CB ASP A 104 11.323 17.865 -8.030 1.00 0.00 C ATOM 1595 CG ASP A 104 12.581 18.680 -7.788 1.00 0.00 C ATOM 1596 OD1 ASP A 104 12.967 19.466 -8.679 1.00 0.00 O ATOM 1597 OD2 ASP A 104 13.205 18.534 -6.719 1.00 0.00 O ATOM 0 H ASP A 104 9.957 19.197 -6.293 1.00 0.00 H new ATOM 0 HA ASP A 104 10.337 19.380 -9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.111 17.259 -7.149 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.493 17.176 -8.858 1.00 0.00 H new ATOM 1602 N GLY A 105 7.877 17.872 -7.862 1.00 0.00 N ATOM 1603 CA GLY A 105 6.673 17.088 -8.123 1.00 0.00 C ATOM 1604 C GLY A 105 6.811 15.620 -7.723 1.00 0.00 C ATOM 1605 O GLY A 105 6.082 14.758 -8.221 1.00 0.00 O ATOM 0 H GLY A 105 7.857 18.405 -6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 105 5.836 17.528 -7.581 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.432 17.147 -9.184 1.00 0.00 H new ATOM 1609 N VAL A 106 7.746 15.337 -6.821 1.00 0.00 N ATOM 1610 CA VAL A 106 7.980 13.973 -6.341 1.00 0.00 C ATOM 1611 C VAL A 106 7.321 13.747 -4.965 1.00 0.00 C ATOM 1612 O VAL A 106 7.485 14.558 -4.051 1.00 0.00 O ATOM 1613 CB VAL A 106 9.500 13.678 -6.229 1.00 0.00 C ATOM 1614 CG1 VAL A 106 9.749 12.241 -5.769 1.00 0.00 C ATOM 1615 CG2 VAL A 106 10.202 13.950 -7.559 1.00 0.00 C ATOM 0 H VAL A 106 8.359 16.037 -6.404 1.00 0.00 H new ATOM 0 HA VAL A 106 7.533 13.295 -7.067 1.00 0.00 H new ATOM 0 HB VAL A 106 9.918 14.348 -5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.822 12.062 -5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.291 12.087 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.312 11.548 -6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.266 13.737 -7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 106 9.775 13.312 -8.333 1.00 0.00 H new ATOM 0 HG23 VAL A 106 10.066 14.996 -7.835 1.00 0.00 H new ATOM 1625 N PRO A 107 6.546 12.654 -4.803 1.00 0.00 N ATOM 1626 CA PRO A 107 5.962 12.286 -3.499 1.00 0.00 C ATOM 1627 C PRO A 107 7.037 12.094 -2.413 1.00 0.00 C ATOM 1628 O PRO A 107 7.755 11.091 -2.394 1.00 0.00 O ATOM 1629 CB PRO A 107 5.233 10.966 -3.792 1.00 0.00 C ATOM 1630 CG PRO A 107 4.982 10.989 -5.262 1.00 0.00 C ATOM 1631 CD PRO A 107 6.158 11.709 -5.866 1.00 0.00 C ATOM 0 HA PRO A 107 5.306 13.064 -3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.840 10.107 -3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 107 4.300 10.896 -3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.896 9.978 -5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.049 11.503 -5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 107 6.969 11.023 -6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.886 12.226 -6.787 1.00 0.00 H new ATOM 1639 N GLN A 108 7.148 13.067 -1.515 1.00 0.00 N ATOM 1640 CA GLN A 108 8.212 13.072 -0.503 1.00 0.00 C ATOM 1641 C GLN A 108 7.956 12.068 0.637 1.00 0.00 C ATOM 1642 O GLN A 108 7.168 12.321 1.549 1.00 0.00 O ATOM 1643 CB GLN A 108 8.397 14.492 0.053 1.00 0.00 C ATOM 1644 CG GLN A 108 8.931 15.478 -0.983 1.00 0.00 C ATOM 1645 CD GLN A 108 10.310 15.094 -1.499 1.00 0.00 C ATOM 1646 OE1 GLN A 108 11.121 14.520 -0.778 1.00 0.00 O ATOM 1647 NE2 GLN A 108 10.578 15.381 -2.756 1.00 0.00 N ATOM 0 H GLN A 108 6.516 13.866 -1.463 1.00 0.00 H new ATOM 0 HA GLN A 108 9.130 12.751 -0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.441 14.855 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.083 14.457 0.900 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.236 15.532 -1.821 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.976 16.474 -0.542 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.883 15.859 -3.329 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.481 15.125 -3.156 1.00 0.00 H new ATOM 1656 N LEU A 109 8.619 10.912 0.558 1.00 0.00 N ATOM 1657 CA LEU A 109 8.540 9.885 1.609 1.00 0.00 C ATOM 1658 C LEU A 109 9.756 9.920 2.541 1.00 0.00 C ATOM 1659 O LEU A 109 9.688 9.412 3.656 1.00 0.00 O ATOM 1660 CB LEU A 109 8.403 8.479 0.995 1.00 0.00 C ATOM 1661 CG LEU A 109 6.970 8.041 0.656 1.00 0.00 C ATOM 1662 CD1 LEU A 109 6.303 9.034 -0.289 1.00 0.00 C ATOM 1663 CD2 LEU A 109 6.966 6.635 0.063 1.00 0.00 C ATOM 0 H LEU A 109 9.221 10.659 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 109 7.652 10.110 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.001 8.440 0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.831 7.755 1.689 1.00 0.00 H new ATOM 0 HG LEU A 109 6.392 8.023 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.290 8.700 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.265 10.016 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.876 9.097 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.943 6.342 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.564 6.623 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.388 5.935 0.784 1.00 0.00 H new ATOM 1675 N GLY A 110 10.858 10.524 2.086 1.00 0.00 N ATOM 1676 CA GLY A 110 12.093 10.549 2.874 1.00 0.00 C ATOM 1677 C GLY A 110 11.874 10.973 4.324 1.00 0.00 C ATOM 1678 O GLY A 110 12.403 10.354 5.248 1.00 0.00 O ATOM 0 H GLY A 110 10.920 10.998 1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.547 9.558 2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.801 11.232 2.406 1.00 0.00 H new ATOM 1682 N ASP A 111 11.083 12.026 4.515 1.00 0.00 N ATOM 1683 CA ASP A 111 10.718 12.505 5.852 1.00 0.00 C ATOM 1684 C ASP A 111 9.728 11.553 6.553 1.00 0.00 C ATOM 1685 O ASP A 111 9.725 11.440 7.780 1.00 0.00 O ATOM 1686 CB ASP A 111 10.122 13.913 5.742 1.00 0.00 C ATOM 1687 CG ASP A 111 8.993 13.972 4.729 1.00 0.00 C ATOM 1688 OD1 ASP A 111 9.281 14.097 3.519 1.00 0.00 O ATOM 1689 OD2 ASP A 111 7.816 13.873 5.134 1.00 0.00 O ATOM 0 H ASP A 111 10.677 12.571 3.754 1.00 0.00 H new ATOM 0 HA ASP A 111 11.621 12.534 6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 111 9.751 14.228 6.718 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.904 14.617 5.456 1.00 0.00 H new ATOM 1694 N HIS A 112 8.887 10.871 5.770 1.00 0.00 N ATOM 1695 CA HIS A 112 7.918 9.909 6.317 1.00 0.00 C ATOM 1696 C HIS A 112 8.603 8.634 6.851 1.00 0.00 C ATOM 1697 O HIS A 112 8.150 8.043 7.836 1.00 0.00 O ATOM 1698 CB HIS A 112 6.888 9.520 5.243 1.00 0.00 C ATOM 1699 CG HIS A 112 5.814 10.539 5.000 1.00 0.00 C ATOM 1700 ND1 HIS A 112 5.891 11.852 5.411 1.00 0.00 N ATOM 1701 CD2 HIS A 112 4.613 10.413 4.386 1.00 0.00 C ATOM 1702 CE1 HIS A 112 4.788 12.486 5.065 1.00 0.00 C ATOM 1703 NE2 HIS A 112 3.995 11.638 4.441 1.00 0.00 N ATOM 0 H HIS A 112 8.855 10.965 4.755 1.00 0.00 H new ATOM 0 HA HIS A 112 7.418 10.400 7.152 1.00 0.00 H new ATOM 0 HB2 HIS A 112 7.413 9.337 4.306 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.418 8.581 5.534 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.215 9.515 3.936 1.00 0.00 H new ATOM 0 HE1 HIS A 112 4.571 13.526 5.260 1.00 0.00 H new ATOM 0 HE2 HIS A 112 3.074 11.856 4.061 1.00 0.00 H new ATOM 1712 N LEU A 113 9.685 8.213 6.198 1.00 0.00 N ATOM 1713 CA LEU A 113 10.360 6.954 6.546 1.00 0.00 C ATOM 1714 C LEU A 113 11.121 7.059 7.882 1.00 0.00 C ATOM 1715 O LEU A 113 11.422 8.152 8.359 1.00 0.00 O ATOM 1716 CB LEU A 113 11.315 6.529 5.419 1.00 0.00 C ATOM 1717 CG LEU A 113 10.697 6.492 4.008 1.00 0.00 C ATOM 1718 CD1 LEU A 113 11.668 5.869 3.008 1.00 0.00 C ATOM 1719 CD2 LEU A 113 9.355 5.752 4.005 1.00 0.00 C ATOM 0 H LEU A 113 10.116 8.721 5.426 1.00 0.00 H new ATOM 0 HA LEU A 113 9.589 6.193 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.164 7.213 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.707 5.539 5.652 1.00 0.00 H new ATOM 0 HG LEU A 113 10.506 7.520 3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.211 5.853 2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.584 6.458 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.903 4.850 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.946 5.744 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.504 4.727 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.659 6.258 4.674 1.00 0.00 H new