USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 700 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 95 TYR OH : rot 150:sc= 0.00103 USER MOD Set 1.2: A 99 GLN : amide:sc= 0.0134 X(o=0.014,f=-0.022) USER MOD Set 2.1: A 45 ASN : amide:sc= -0.0559 K(o=0.5,f=-0.16) USER MOD Set 2.2: A 77 LYS NZ :NH3+ 168:sc= 0.558 (180deg=0.468) USER MOD Set 3.1: A 50 MET CE :methyl -170:sc= 0 (180deg=-0.0156) USER MOD Set 3.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0322 USER MOD Single : A 15 LYS NZ :NH3+ -123:sc=-0.00667 (180deg=-0.128) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.3!) USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 0.439 (180deg=0.426) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0.471 K(o=0.47,f=-5.4!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 0:sc=-6.88e-05 USER MOD Single : A 47 SER OG : rot -143:sc= 1.2 USER MOD Single : A 51 LYS NZ :NH3+ -153:sc= 0.281 (180deg=0.212) USER MOD Single : A 53 HIS : no HD1:sc= -0.0567 K(o=-0.057,f=-1.3) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.141 K(o=0.14,f=-0.71) USER MOD Single : A 67 THR OG1 : rot 100:sc= 1.14 USER MOD Single : A 68 ASN : amide:sc= 0.409 K(o=0.41,f=-3.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 174:sc= -0.066 (180deg=-0.0787) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.22) USER MOD Single : A 100 GLN : amide:sc= 0.344 K(o=0.34,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.642 -0.730 -3.705 1.00 0.00 N ATOM 30 CA ASP A 3 4.390 -0.832 -5.166 1.00 0.00 C ATOM 31 C ASP A 3 5.555 -0.132 -5.958 1.00 0.00 C ATOM 32 O ASP A 3 5.556 1.103 -6.039 1.00 0.00 O ATOM 33 CB ASP A 3 2.981 -0.248 -5.457 1.00 0.00 C ATOM 34 CG ASP A 3 2.499 -0.497 -6.887 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.899 0.149 -7.852 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.607 -1.528 -6.965 1.00 0.00 O ATOM 0 HA ASP A 3 4.387 -1.868 -5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.265 -0.684 -4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.996 0.826 -5.269 1.00 0.00 H new ATOM 41 N PRO A 4 6.533 -0.851 -6.588 1.00 0.00 N ATOM 42 CA PRO A 4 7.623 -0.201 -7.369 1.00 0.00 C ATOM 43 C PRO A 4 7.251 0.495 -8.724 1.00 0.00 C ATOM 44 O PRO A 4 7.955 1.424 -9.125 1.00 0.00 O ATOM 45 CB PRO A 4 8.666 -1.329 -7.482 1.00 0.00 C ATOM 46 CG PRO A 4 7.917 -2.648 -7.296 1.00 0.00 C ATOM 47 CD PRO A 4 6.676 -2.315 -6.472 1.00 0.00 C ATOM 0 HA PRO A 4 7.983 0.693 -6.859 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.162 -1.300 -8.452 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.441 -1.215 -6.724 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.642 -3.080 -8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.540 -3.382 -6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.796 -2.831 -6.855 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.797 -2.620 -5.433 1.00 0.00 H new ATOM 55 N ALA A 5 6.143 0.121 -9.394 1.00 0.00 N ATOM 56 CA ALA A 5 5.549 0.929 -10.499 1.00 0.00 C ATOM 57 C ALA A 5 5.030 2.353 -10.094 1.00 0.00 C ATOM 58 O ALA A 5 5.397 3.339 -10.741 1.00 0.00 O ATOM 59 CB ALA A 5 4.460 0.061 -11.158 1.00 0.00 C ATOM 0 H ALA A 5 5.633 -0.739 -9.194 1.00 0.00 H new ATOM 0 HA ALA A 5 6.341 1.173 -11.206 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.998 0.615 -11.975 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.909 -0.852 -11.548 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.702 -0.195 -10.418 1.00 0.00 H new ATOM 65 N ALA A 6 4.258 2.486 -8.996 1.00 0.00 N ATOM 66 CA ALA A 6 4.028 3.797 -8.326 1.00 0.00 C ATOM 67 C ALA A 6 5.305 4.541 -7.801 1.00 0.00 C ATOM 68 O ALA A 6 5.412 5.757 -7.975 1.00 0.00 O ATOM 69 CB ALA A 6 2.992 3.567 -7.212 1.00 0.00 C ATOM 0 H ALA A 6 3.780 1.704 -8.549 1.00 0.00 H new ATOM 0 HA ALA A 6 3.660 4.488 -9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.797 4.508 -6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.066 3.193 -7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.379 2.837 -6.501 1.00 0.00 H new ATOM 75 N GLY A 7 6.302 3.835 -7.234 1.00 0.00 N ATOM 76 CA GLY A 7 7.663 4.405 -7.022 1.00 0.00 C ATOM 77 C GLY A 7 8.448 4.959 -8.241 1.00 0.00 C ATOM 78 O GLY A 7 9.145 5.963 -8.094 1.00 0.00 O ATOM 0 H GLY A 7 6.200 2.872 -6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.571 5.213 -6.296 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.276 3.630 -6.561 1.00 0.00 H new ATOM 82 N GLU A 8 8.313 4.351 -9.433 1.00 0.00 N ATOM 83 CA GLU A 8 8.813 4.924 -10.718 1.00 0.00 C ATOM 84 C GLU A 8 8.204 6.321 -11.095 1.00 0.00 C ATOM 85 O GLU A 8 8.971 7.247 -11.374 1.00 0.00 O ATOM 86 CB GLU A 8 8.628 3.839 -11.822 1.00 0.00 C ATOM 87 CG GLU A 8 9.462 4.004 -13.120 1.00 0.00 C ATOM 88 CD GLU A 8 9.056 5.148 -14.050 1.00 0.00 C ATOM 89 OE1 GLU A 8 7.992 5.193 -14.659 1.00 0.00 O ATOM 90 OE2 GLU A 8 10.009 6.120 -14.121 1.00 0.00 O ATOM 0 H GLU A 8 7.855 3.446 -9.544 1.00 0.00 H new ATOM 0 HA GLU A 8 9.871 5.163 -10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.868 2.869 -11.387 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.574 3.813 -12.098 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.506 4.146 -12.839 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.407 3.072 -13.682 1.00 0.00 H new ATOM 97 N LYS A 9 6.863 6.505 -11.064 1.00 0.00 N ATOM 98 CA LYS A 9 6.238 7.862 -11.181 1.00 0.00 C ATOM 99 C LYS A 9 6.640 8.907 -10.082 1.00 0.00 C ATOM 100 O LYS A 9 6.928 10.060 -10.417 1.00 0.00 O ATOM 101 CB LYS A 9 4.702 7.765 -11.405 1.00 0.00 C ATOM 102 CG LYS A 9 3.810 7.314 -10.233 1.00 0.00 C ATOM 103 CD LYS A 9 2.307 7.356 -10.567 1.00 0.00 C ATOM 104 CE LYS A 9 1.440 6.923 -9.374 1.00 0.00 C ATOM 105 NZ LYS A 9 0.011 6.994 -9.731 1.00 0.00 N ATOM 0 H LYS A 9 6.191 5.745 -10.960 1.00 0.00 H new ATOM 0 HA LYS A 9 6.683 8.289 -12.080 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.353 8.746 -11.728 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.532 7.077 -12.233 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.084 6.299 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.003 7.953 -9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.031 8.366 -10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.106 6.704 -11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.698 5.906 -9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.641 7.566 -8.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.565 6.699 -8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.233 7.970 -9.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.178 6.363 -10.536 1.00 0.00 H new ATOM 118 N VAL A 10 6.729 8.501 -8.800 1.00 0.00 N ATOM 119 CA VAL A 10 7.327 9.338 -7.710 1.00 0.00 C ATOM 120 C VAL A 10 8.846 9.689 -7.943 1.00 0.00 C ATOM 121 O VAL A 10 9.232 10.835 -7.698 1.00 0.00 O ATOM 122 CB VAL A 10 7.039 8.700 -6.305 1.00 0.00 C ATOM 123 CG1 VAL A 10 7.568 9.554 -5.128 1.00 0.00 C ATOM 124 CG2 VAL A 10 5.538 8.447 -6.011 1.00 0.00 C ATOM 0 H VAL A 10 6.394 7.592 -8.480 1.00 0.00 H new ATOM 0 HA VAL A 10 6.829 10.307 -7.736 1.00 0.00 H new ATOM 0 HB VAL A 10 7.568 7.749 -6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.337 9.058 -4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.648 9.672 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.093 10.535 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.431 8.005 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.996 9.392 -6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.131 7.766 -6.758 1.00 0.00 H new ATOM 134 N PHE A 11 9.692 8.767 -8.460 1.00 0.00 N ATOM 135 CA PHE A 11 11.062 9.104 -8.950 1.00 0.00 C ATOM 136 C PHE A 11 11.153 10.206 -10.071 1.00 0.00 C ATOM 137 O PHE A 11 12.188 10.867 -10.142 1.00 0.00 O ATOM 138 CB PHE A 11 11.813 7.788 -9.327 1.00 0.00 C ATOM 139 CG PHE A 11 13.349 7.930 -9.442 1.00 0.00 C ATOM 140 CD1 PHE A 11 14.168 7.758 -8.321 1.00 0.00 C ATOM 141 CD2 PHE A 11 13.934 8.308 -10.655 1.00 0.00 C ATOM 142 CE1 PHE A 11 15.532 8.026 -8.396 1.00 0.00 C ATOM 143 CE2 PHE A 11 15.296 8.601 -10.722 1.00 0.00 C ATOM 144 CZ PHE A 11 16.092 8.472 -9.589 1.00 0.00 C ATOM 0 H PHE A 11 9.454 7.779 -8.551 1.00 0.00 H new ATOM 0 HA PHE A 11 11.566 9.595 -8.117 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.587 7.030 -8.577 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.423 7.423 -10.277 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.739 7.415 -7.391 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.327 8.373 -11.546 1.00 0.00 H new ATOM 0 HE1 PHE A 11 16.157 7.887 -7.526 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.733 8.928 -11.654 1.00 0.00 H new ATOM 0 HZ PHE A 11 17.143 8.718 -9.635 1.00 0.00 H new ATOM 154 N GLY A 12 10.109 10.488 -10.880 1.00 0.00 N ATOM 155 CA GLY A 12 10.018 11.754 -11.677 1.00 0.00 C ATOM 156 C GLY A 12 10.272 13.121 -10.979 1.00 0.00 C ATOM 157 O GLY A 12 10.890 14.005 -11.574 1.00 0.00 O ATOM 0 H GLY A 12 9.313 9.863 -11.006 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.726 11.672 -12.501 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.021 11.792 -12.116 1.00 0.00 H new ATOM 161 N LYS A 13 9.861 13.269 -9.708 1.00 0.00 N ATOM 162 CA LYS A 13 10.355 14.357 -8.803 1.00 0.00 C ATOM 163 C LYS A 13 11.908 14.376 -8.532 1.00 0.00 C ATOM 164 O LYS A 13 12.501 15.452 -8.421 1.00 0.00 O ATOM 165 CB LYS A 13 9.570 14.253 -7.462 1.00 0.00 C ATOM 166 CG LYS A 13 8.043 14.515 -7.536 1.00 0.00 C ATOM 167 CD LYS A 13 7.298 14.031 -6.278 1.00 0.00 C ATOM 168 CE LYS A 13 5.782 14.268 -6.366 1.00 0.00 C ATOM 169 NZ LYS A 13 5.095 13.649 -5.214 1.00 0.00 N ATOM 0 H LYS A 13 9.181 12.649 -9.267 1.00 0.00 H new ATOM 0 HA LYS A 13 10.172 15.299 -9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.726 13.256 -7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.004 14.961 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.867 15.582 -7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.634 14.012 -8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.489 12.968 -6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.693 14.548 -5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.576 15.338 -6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.396 13.850 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.072 13.818 -5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.277 12.625 -5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.452 14.067 -4.331 1.00 0.00 H new ATOM 182 N CYS A 14 12.555 13.200 -8.428 1.00 0.00 N ATOM 183 CA CYS A 14 14.033 13.062 -8.351 1.00 0.00 C ATOM 184 C CYS A 14 14.810 13.148 -9.722 1.00 0.00 C ATOM 185 O CYS A 14 15.937 13.654 -9.731 1.00 0.00 O ATOM 186 CB CYS A 14 14.317 11.732 -7.605 1.00 0.00 C ATOM 187 SG CYS A 14 13.124 11.319 -6.287 1.00 0.00 S ATOM 0 H CYS A 14 12.066 12.305 -8.394 1.00 0.00 H new ATOM 0 HA CYS A 14 14.422 13.928 -7.815 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.328 10.920 -8.332 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.315 11.783 -7.169 1.00 0.00 H new ATOM 0 HG CYS A 14 13.459 10.190 -5.737 1.00 0.00 H new ATOM 192 N LYS A 15 14.232 12.688 -10.862 1.00 0.00 N ATOM 193 CA LYS A 15 14.862 12.730 -12.226 1.00 0.00 C ATOM 194 C LYS A 15 15.473 14.079 -12.731 1.00 0.00 C ATOM 195 O LYS A 15 16.483 14.044 -13.439 1.00 0.00 O ATOM 196 CB LYS A 15 13.862 12.210 -13.307 1.00 0.00 C ATOM 197 CG LYS A 15 13.625 10.684 -13.340 1.00 0.00 C ATOM 198 CD LYS A 15 13.057 10.113 -14.661 1.00 0.00 C ATOM 199 CE LYS A 15 11.545 10.270 -14.913 1.00 0.00 C ATOM 200 NZ LYS A 15 11.171 11.652 -15.282 1.00 0.00 N ATOM 0 H LYS A 15 13.302 12.270 -10.869 1.00 0.00 H new ATOM 0 HA LYS A 15 15.727 12.082 -12.087 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.902 12.702 -13.151 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.224 12.522 -14.287 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.571 10.185 -13.129 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.941 10.425 -12.532 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.587 10.587 -15.487 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.295 9.050 -14.698 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.240 9.590 -15.709 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.999 9.977 -14.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.458 12.009 -14.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.014 12.261 -15.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.777 11.660 -16.245 1.00 0.00 H new ATOM 213 N ALA A 16 14.905 15.247 -12.374 1.00 0.00 N ATOM 214 CA ALA A 16 15.574 16.564 -12.583 1.00 0.00 C ATOM 215 C ALA A 16 17.025 16.759 -12.007 1.00 0.00 C ATOM 216 O ALA A 16 17.783 17.573 -12.541 1.00 0.00 O ATOM 217 CB ALA A 16 14.601 17.622 -12.027 1.00 0.00 C ATOM 0 H ALA A 16 13.985 15.315 -11.939 1.00 0.00 H new ATOM 0 HA ALA A 16 15.768 16.653 -13.652 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.034 18.615 -12.150 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.657 17.568 -12.569 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.424 17.432 -10.968 1.00 0.00 H new ATOM 223 N CYS A 17 17.403 16.024 -10.944 1.00 0.00 N ATOM 224 CA CYS A 17 18.771 16.043 -10.364 1.00 0.00 C ATOM 225 C CYS A 17 19.536 14.671 -10.346 1.00 0.00 C ATOM 226 O CYS A 17 20.760 14.671 -10.524 1.00 0.00 O ATOM 227 CB CYS A 17 18.619 16.597 -8.936 1.00 0.00 C ATOM 228 SG CYS A 17 17.702 18.169 -8.892 1.00 0.00 S ATOM 0 H CYS A 17 16.767 15.394 -10.456 1.00 0.00 H new ATOM 0 HA CYS A 17 19.396 16.661 -11.009 1.00 0.00 H new ATOM 0 HB2 CYS A 17 18.104 15.862 -8.318 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.607 16.744 -8.500 1.00 0.00 H new ATOM 0 HG CYS A 17 17.607 18.581 -7.663 1.00 0.00 H new ATOM 233 N HIS A 18 18.856 13.539 -10.067 1.00 0.00 N ATOM 234 CA HIS A 18 19.495 12.218 -9.802 1.00 0.00 C ATOM 235 C HIS A 18 19.291 11.191 -10.965 1.00 0.00 C ATOM 236 O HIS A 18 18.243 11.143 -11.618 1.00 0.00 O ATOM 237 CB HIS A 18 18.871 11.638 -8.506 1.00 0.00 C ATOM 238 CG HIS A 18 19.316 12.279 -7.195 1.00 0.00 C ATOM 239 ND1 HIS A 18 20.444 11.896 -6.515 1.00 0.00 N ATOM 240 CD2 HIS A 18 18.509 13.055 -6.367 1.00 0.00 C ATOM 241 CE1 HIS A 18 20.187 12.404 -5.278 1.00 0.00 C ATOM 242 NE2 HIS A 18 19.012 13.106 -5.053 1.00 0.00 N ATOM 0 H HIS A 18 17.838 13.509 -10.017 1.00 0.00 H new ATOM 0 HA HIS A 18 20.569 12.379 -9.707 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.787 11.726 -8.579 1.00 0.00 H new ATOM 0 HB3 HIS A 18 19.102 10.574 -8.462 1.00 0.00 H new ATOM 0 HD1 HIS A 18 21.255 11.373 -6.846 1.00 0.00 H new ATOM 0 HD2 HIS A 18 17.609 13.556 -6.692 1.00 0.00 H new ATOM 0 HE1 HIS A 18 20.895 12.261 -4.475 1.00 0.00 H new ATOM 250 N LYS A 19 20.295 10.318 -11.167 1.00 0.00 N ATOM 251 CA LYS A 19 20.318 9.337 -12.295 1.00 0.00 C ATOM 252 C LYS A 19 20.373 7.855 -11.787 1.00 0.00 C ATOM 253 O LYS A 19 20.961 7.542 -10.745 1.00 0.00 O ATOM 254 CB LYS A 19 21.534 9.670 -13.206 1.00 0.00 C ATOM 255 CG LYS A 19 21.505 11.043 -13.927 1.00 0.00 C ATOM 256 CD LYS A 19 22.846 11.370 -14.609 1.00 0.00 C ATOM 257 CE LYS A 19 22.876 12.761 -15.256 1.00 0.00 C ATOM 258 NZ LYS A 19 24.240 13.041 -15.751 1.00 0.00 N ATOM 0 H LYS A 19 21.115 10.264 -10.562 1.00 0.00 H new ATOM 0 HA LYS A 19 19.392 9.424 -12.864 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.438 9.623 -12.599 1.00 0.00 H new ATOM 0 HB3 LYS A 19 21.617 8.890 -13.962 1.00 0.00 H new ATOM 0 HG2 LYS A 19 20.710 11.043 -14.673 1.00 0.00 H new ATOM 0 HG3 LYS A 19 21.266 11.825 -13.206 1.00 0.00 H new ATOM 0 HD2 LYS A 19 23.646 11.303 -13.872 1.00 0.00 H new ATOM 0 HD3 LYS A 19 23.051 10.618 -15.371 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.162 12.808 -16.078 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.577 13.518 -14.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 24.244 13.945 -16.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.897 13.097 -14.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 24.540 12.278 -16.391 1.00 0.00 H new ATOM 271 N LEU A 20 19.775 6.932 -12.563 1.00 0.00 N ATOM 272 CA LEU A 20 19.774 5.464 -12.245 1.00 0.00 C ATOM 273 C LEU A 20 20.717 4.555 -13.110 1.00 0.00 C ATOM 274 O LEU A 20 20.698 3.337 -12.927 1.00 0.00 O ATOM 275 CB LEU A 20 18.304 4.949 -12.320 1.00 0.00 C ATOM 276 CG LEU A 20 17.307 5.511 -11.275 1.00 0.00 C ATOM 277 CD1 LEU A 20 15.874 5.107 -11.637 1.00 0.00 C ATOM 278 CD2 LEU A 20 17.616 5.054 -9.839 1.00 0.00 C ATOM 0 H LEU A 20 19.279 7.164 -13.424 1.00 0.00 H new ATOM 0 HA LEU A 20 20.196 5.380 -11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.916 5.175 -13.313 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.320 3.863 -12.223 1.00 0.00 H new ATOM 0 HG LEU A 20 17.414 6.595 -11.302 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.184 5.508 -10.895 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.621 5.505 -12.620 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.796 4.020 -11.654 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.882 5.481 -9.155 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.571 3.966 -9.786 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.614 5.390 -9.557 1.00 0.00 H new ATOM 290 N ASP A 21 21.543 5.088 -14.034 1.00 0.00 N ATOM 291 CA ASP A 21 22.535 4.266 -14.812 1.00 0.00 C ATOM 292 C ASP A 21 24.027 4.408 -14.329 1.00 0.00 C ATOM 293 O ASP A 21 24.952 4.428 -15.147 1.00 0.00 O ATOM 294 CB ASP A 21 22.334 4.599 -16.324 1.00 0.00 C ATOM 295 CG ASP A 21 21.092 4.039 -17.027 1.00 0.00 C ATOM 296 OD1 ASP A 21 19.967 4.146 -16.264 1.00 0.00 O ATOM 297 OD2 ASP A 21 21.116 3.566 -18.159 1.00 0.00 O ATOM 0 H ASP A 21 21.554 6.080 -14.270 1.00 0.00 H new ATOM 0 HA ASP A 21 22.336 3.209 -14.632 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.315 5.684 -16.427 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.212 4.243 -16.864 1.00 0.00 H new ATOM 302 N GLY A 22 24.291 4.466 -13.006 1.00 0.00 N ATOM 303 CA GLY A 22 25.665 4.681 -12.460 1.00 0.00 C ATOM 304 C GLY A 22 26.357 6.043 -12.743 1.00 0.00 C ATOM 305 O GLY A 22 27.568 6.078 -12.966 1.00 0.00 O ATOM 0 H GLY A 22 23.574 4.368 -12.288 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.620 4.548 -11.379 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.307 3.892 -12.852 1.00 0.00 H new ATOM 309 N ASN A 23 25.590 7.144 -12.768 1.00 0.00 N ATOM 310 CA ASN A 23 26.050 8.454 -13.305 1.00 0.00 C ATOM 311 C ASN A 23 25.742 9.616 -12.306 1.00 0.00 C ATOM 312 O ASN A 23 24.677 9.668 -11.684 1.00 0.00 O ATOM 313 CB ASN A 23 25.338 8.732 -14.665 1.00 0.00 C ATOM 314 CG ASN A 23 25.420 7.712 -15.808 1.00 0.00 C ATOM 315 OD1 ASN A 23 24.412 7.345 -16.401 1.00 0.00 O ATOM 316 ND2 ASN A 23 26.578 7.215 -16.163 1.00 0.00 N ATOM 0 H ASN A 23 24.632 7.161 -12.419 1.00 0.00 H new ATOM 0 HA ASN A 23 27.129 8.407 -13.449 1.00 0.00 H new ATOM 0 HB2 ASN A 23 24.281 8.889 -14.449 1.00 0.00 H new ATOM 0 HB3 ASN A 23 25.729 9.675 -15.046 1.00 0.00 H new ATOM 0 HD21 ASN A 23 26.630 6.535 -16.921 1.00 0.00 H new ATOM 0 HD22 ASN A 23 27.428 7.508 -15.681 1.00 0.00 H new ATOM 323 N ASP A 24 26.654 10.593 -12.198 1.00 0.00 N ATOM 324 CA ASP A 24 26.430 11.816 -11.372 1.00 0.00 C ATOM 325 C ASP A 24 25.802 12.975 -12.220 1.00 0.00 C ATOM 326 O ASP A 24 26.184 13.191 -13.377 1.00 0.00 O ATOM 327 CB ASP A 24 27.779 12.252 -10.733 1.00 0.00 C ATOM 328 CG ASP A 24 28.439 11.249 -9.782 1.00 0.00 C ATOM 329 OD1 ASP A 24 27.758 11.144 -8.608 1.00 0.00 O ATOM 330 OD2 ASP A 24 29.455 10.617 -10.053 1.00 0.00 O ATOM 0 H ASP A 24 27.559 10.571 -12.668 1.00 0.00 H new ATOM 0 HA ASP A 24 25.716 11.584 -10.581 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.481 12.474 -11.536 1.00 0.00 H new ATOM 0 HB3 ASP A 24 27.614 13.182 -10.188 1.00 0.00 H new ATOM 335 N GLY A 25 24.856 13.735 -11.638 1.00 0.00 N ATOM 336 CA GLY A 25 24.298 14.956 -12.287 1.00 0.00 C ATOM 337 C GLY A 25 24.360 16.184 -11.361 1.00 0.00 C ATOM 338 O GLY A 25 25.447 16.624 -10.979 1.00 0.00 O ATOM 0 H GLY A 25 24.457 13.533 -10.721 1.00 0.00 H new ATOM 0 HA2 GLY A 25 24.852 15.165 -13.202 1.00 0.00 H new ATOM 0 HA3 GLY A 25 23.263 14.772 -12.575 1.00 0.00 H new ATOM 342 N VAL A 26 23.192 16.716 -10.975 1.00 0.00 N ATOM 343 CA VAL A 26 23.092 17.677 -9.823 1.00 0.00 C ATOM 344 C VAL A 26 23.199 16.918 -8.452 1.00 0.00 C ATOM 345 O VAL A 26 23.981 17.338 -7.596 1.00 0.00 O ATOM 346 CB VAL A 26 21.837 18.613 -9.949 1.00 0.00 C ATOM 347 CG1 VAL A 26 21.697 19.632 -8.793 1.00 0.00 C ATOM 348 CG2 VAL A 26 21.784 19.426 -11.265 1.00 0.00 C ATOM 0 H VAL A 26 22.301 16.512 -11.427 1.00 0.00 H new ATOM 0 HA VAL A 26 23.946 18.354 -9.857 1.00 0.00 H new ATOM 0 HB VAL A 26 21.016 17.897 -9.921 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.807 20.242 -8.951 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.608 19.099 -7.847 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.577 20.275 -8.766 1.00 0.00 H new ATOM 0 HG21 VAL A 26 20.888 20.046 -11.274 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.666 20.062 -11.335 1.00 0.00 H new ATOM 0 HG23 VAL A 26 21.761 18.743 -12.114 1.00 0.00 H new ATOM 358 N GLY A 27 22.459 15.809 -8.255 1.00 0.00 N ATOM 359 CA GLY A 27 22.757 14.840 -7.174 1.00 0.00 C ATOM 360 C GLY A 27 23.565 13.573 -7.601 1.00 0.00 C ATOM 361 O GLY A 27 23.789 13.348 -8.798 1.00 0.00 O ATOM 0 H GLY A 27 21.652 15.560 -8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.314 15.356 -6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.815 14.515 -6.733 1.00 0.00 H new ATOM 365 N PRO A 28 24.000 12.688 -6.656 1.00 0.00 N ATOM 366 CA PRO A 28 24.653 11.392 -7.001 1.00 0.00 C ATOM 367 C PRO A 28 23.715 10.309 -7.628 1.00 0.00 C ATOM 368 O PRO A 28 22.490 10.459 -7.664 1.00 0.00 O ATOM 369 CB PRO A 28 25.236 10.985 -5.630 1.00 0.00 C ATOM 370 CG PRO A 28 24.284 11.591 -4.601 1.00 0.00 C ATOM 371 CD PRO A 28 23.919 12.939 -5.204 1.00 0.00 C ATOM 0 HA PRO A 28 25.388 11.489 -7.800 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.288 9.901 -5.529 1.00 0.00 H new ATOM 0 HB3 PRO A 28 26.249 11.366 -5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.403 10.966 -4.452 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.763 11.703 -3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.920 13.257 -4.905 1.00 0.00 H new ATOM 0 HD3 PRO A 28 24.610 13.721 -4.891 1.00 0.00 H new ATOM 379 N HIS A 29 24.277 9.181 -8.097 1.00 0.00 N ATOM 380 CA HIS A 29 23.450 8.049 -8.607 1.00 0.00 C ATOM 381 C HIS A 29 22.628 7.315 -7.492 1.00 0.00 C ATOM 382 O HIS A 29 23.189 6.865 -6.485 1.00 0.00 O ATOM 383 CB HIS A 29 24.295 7.084 -9.475 1.00 0.00 C ATOM 384 CG HIS A 29 25.392 6.251 -8.812 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.720 6.645 -8.751 1.00 0.00 N ATOM 386 CD2 HIS A 29 25.240 4.936 -8.348 1.00 0.00 C ATOM 387 CE1 HIS A 29 27.265 5.492 -8.244 1.00 0.00 C ATOM 388 NE2 HIS A 29 26.460 4.424 -7.947 1.00 0.00 N ATOM 0 H HIS A 29 25.283 9.020 -8.138 1.00 0.00 H new ATOM 0 HA HIS A 29 22.692 8.487 -9.256 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.607 6.393 -9.961 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.763 7.675 -10.262 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.303 4.400 -8.309 1.00 0.00 H new ATOM 0 HE1 HIS A 29 28.330 5.426 -8.079 1.00 0.00 H new ATOM 0 HE2 HIS A 29 26.693 3.515 -7.546 1.00 0.00 H new ATOM 396 N LEU A 30 21.303 7.194 -7.673 1.00 0.00 N ATOM 397 CA LEU A 30 20.420 6.458 -6.708 1.00 0.00 C ATOM 398 C LEU A 30 20.178 4.935 -6.988 1.00 0.00 C ATOM 399 O LEU A 30 19.545 4.275 -6.158 1.00 0.00 O ATOM 400 CB LEU A 30 19.095 7.248 -6.508 1.00 0.00 C ATOM 401 CG LEU A 30 19.199 8.624 -5.796 1.00 0.00 C ATOM 402 CD1 LEU A 30 17.835 9.330 -5.799 1.00 0.00 C ATOM 403 CD2 LEU A 30 19.701 8.545 -4.342 1.00 0.00 C ATOM 0 H LEU A 30 20.806 7.589 -8.471 1.00 0.00 H new ATOM 0 HA LEU A 30 20.983 6.422 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.643 7.406 -7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 30 18.409 6.622 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 30 19.939 9.186 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.923 10.293 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.508 9.485 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.105 8.713 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.745 9.548 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 30 19.018 7.931 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.696 8.100 -4.324 1.00 0.00 H new ATOM 415 N ASN A 31 20.736 4.343 -8.065 1.00 0.00 N ATOM 416 CA ASN A 31 20.868 2.866 -8.203 1.00 0.00 C ATOM 417 C ASN A 31 21.863 2.284 -7.143 1.00 0.00 C ATOM 418 O ASN A 31 23.060 2.594 -7.147 1.00 0.00 O ATOM 419 CB ASN A 31 21.219 2.474 -9.665 1.00 0.00 C ATOM 420 CG ASN A 31 22.516 3.042 -10.264 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.610 4.223 -10.583 1.00 0.00 O ATOM 422 ND2 ASN A 31 23.549 2.254 -10.439 1.00 0.00 N ATOM 0 H ASN A 31 21.106 4.864 -8.860 1.00 0.00 H new ATOM 0 HA ASN A 31 19.903 2.407 -7.989 1.00 0.00 H new ATOM 0 HB2 ASN A 31 21.273 1.387 -9.717 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.391 2.783 -10.303 1.00 0.00 H new ATOM 0 HD21 ASN A 31 24.413 2.626 -10.835 1.00 0.00 H new ATOM 0 HD22 ASN A 31 23.489 1.269 -10.180 1.00 0.00 H new ATOM 429 N GLY A 32 21.331 1.515 -6.187 1.00 0.00 N ATOM 430 CA GLY A 32 22.121 1.028 -5.026 1.00 0.00 C ATOM 431 C GLY A 32 22.237 1.981 -3.818 1.00 0.00 C ATOM 432 O GLY A 32 23.312 2.052 -3.229 1.00 0.00 O ATOM 0 H GLY A 32 20.357 1.211 -6.185 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.678 0.094 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.128 0.795 -5.373 1.00 0.00 H new ATOM 436 N VAL A 33 21.153 2.671 -3.422 1.00 0.00 N ATOM 437 CA VAL A 33 21.133 3.539 -2.201 1.00 0.00 C ATOM 438 C VAL A 33 20.640 2.836 -0.888 1.00 0.00 C ATOM 439 O VAL A 33 21.130 3.189 0.187 1.00 0.00 O ATOM 440 CB VAL A 33 20.415 4.899 -2.506 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.885 4.792 -2.677 1.00 0.00 C ATOM 442 CG2 VAL A 33 20.714 5.992 -1.452 1.00 0.00 C ATOM 0 H VAL A 33 20.266 2.653 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 33 22.174 3.759 -1.964 1.00 0.00 H new ATOM 0 HB VAL A 33 20.842 5.188 -3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.472 5.779 -2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.658 4.122 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.443 4.400 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.188 6.909 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.378 5.654 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.786 6.184 -1.422 1.00 0.00 H new ATOM 452 N VAL A 34 19.680 1.888 -0.939 1.00 0.00 N ATOM 453 CA VAL A 34 19.028 1.313 0.279 1.00 0.00 C ATOM 454 C VAL A 34 20.017 0.319 0.983 1.00 0.00 C ATOM 455 O VAL A 34 20.302 -0.768 0.470 1.00 0.00 O ATOM 456 CB VAL A 34 17.630 0.677 -0.050 1.00 0.00 C ATOM 457 CG1 VAL A 34 16.870 0.269 1.236 1.00 0.00 C ATOM 458 CG2 VAL A 34 16.677 1.590 -0.862 1.00 0.00 C ATOM 0 H VAL A 34 19.330 1.496 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 34 18.812 2.116 0.984 1.00 0.00 H new ATOM 0 HB VAL A 34 17.886 -0.189 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.908 -0.167 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.458 -0.463 1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.708 1.149 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.738 1.067 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.482 2.504 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.140 1.842 -1.816 1.00 0.00 H new ATOM 468 N GLY A 35 20.587 0.740 2.123 1.00 0.00 N ATOM 469 CA GLY A 35 21.812 0.102 2.686 1.00 0.00 C ATOM 470 C GLY A 35 23.194 0.742 2.382 1.00 0.00 C ATOM 471 O GLY A 35 24.161 0.346 3.034 1.00 0.00 O ATOM 0 H GLY A 35 20.229 1.516 2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.697 0.064 3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.840 -0.929 2.332 1.00 0.00 H new ATOM 475 N ARG A 36 23.330 1.698 1.440 1.00 0.00 N ATOM 476 CA ARG A 36 24.630 2.373 1.154 1.00 0.00 C ATOM 477 C ARG A 36 24.985 3.474 2.203 1.00 0.00 C ATOM 478 O ARG A 36 24.112 4.174 2.724 1.00 0.00 O ATOM 479 CB ARG A 36 24.553 2.948 -0.288 1.00 0.00 C ATOM 480 CG ARG A 36 25.857 3.582 -0.853 1.00 0.00 C ATOM 481 CD ARG A 36 25.787 4.032 -2.325 1.00 0.00 C ATOM 482 NE ARG A 36 24.890 5.211 -2.496 1.00 0.00 N ATOM 483 CZ ARG A 36 24.384 5.629 -3.656 1.00 0.00 C ATOM 484 NH1 ARG A 36 24.578 5.028 -4.798 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.659 6.706 -3.672 1.00 0.00 N ATOM 0 H ARG A 36 22.559 2.026 0.859 1.00 0.00 H new ATOM 0 HA ARG A 36 25.439 1.646 1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 36 24.245 2.146 -0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.768 3.704 -0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 36 26.118 4.444 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 36 26.667 2.860 -0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 36 26.788 4.281 -2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 36 25.428 3.208 -2.941 1.00 0.00 H new ATOM 0 HE ARG A 36 24.644 5.739 -1.659 1.00 0.00 H new ATOM 0 HH11 ARG A 36 25.148 4.183 -4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 36 24.160 5.403 -5.649 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.485 7.217 -2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.263 7.041 -4.550 1.00 0.00 H new ATOM 499 N THR A 37 26.294 3.663 2.449 1.00 0.00 N ATOM 500 CA THR A 37 26.828 4.687 3.394 1.00 0.00 C ATOM 501 C THR A 37 26.329 6.148 3.114 1.00 0.00 C ATOM 502 O THR A 37 26.219 6.575 1.958 1.00 0.00 O ATOM 503 CB THR A 37 28.388 4.569 3.389 1.00 0.00 C ATOM 504 OG1 THR A 37 28.793 3.239 3.701 1.00 0.00 O ATOM 505 CG2 THR A 37 29.127 5.447 4.414 1.00 0.00 C ATOM 0 H THR A 37 27.024 3.111 1.999 1.00 0.00 H new ATOM 0 HA THR A 37 26.436 4.480 4.390 1.00 0.00 H new ATOM 0 HB THR A 37 28.652 4.895 2.383 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.771 3.184 3.692 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.201 5.286 4.323 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.900 6.496 4.225 1.00 0.00 H new ATOM 0 HG23 THR A 37 28.804 5.181 5.421 1.00 0.00 H new ATOM 513 N VAL A 38 26.054 6.920 4.185 1.00 0.00 N ATOM 514 CA VAL A 38 25.765 8.386 4.066 1.00 0.00 C ATOM 515 C VAL A 38 27.053 9.150 3.594 1.00 0.00 C ATOM 516 O VAL A 38 28.106 9.060 4.233 1.00 0.00 O ATOM 517 CB VAL A 38 25.159 9.000 5.375 1.00 0.00 C ATOM 518 CG1 VAL A 38 24.777 10.489 5.192 1.00 0.00 C ATOM 519 CG2 VAL A 38 23.892 8.287 5.899 1.00 0.00 C ATOM 0 H VAL A 38 26.023 6.567 5.141 1.00 0.00 H new ATOM 0 HA VAL A 38 24.991 8.509 3.308 1.00 0.00 H new ATOM 0 HB VAL A 38 25.962 8.871 6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 38 24.361 10.875 6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 38 25.665 11.062 4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 38 24.036 10.579 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 38 23.545 8.781 6.806 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.110 8.330 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.126 7.245 6.120 1.00 0.00 H new ATOM 529 N ALA A 39 26.962 9.845 2.441 1.00 0.00 N ATOM 530 CA ALA A 39 28.147 10.282 1.645 1.00 0.00 C ATOM 531 C ALA A 39 28.968 9.100 1.011 1.00 0.00 C ATOM 532 O ALA A 39 30.181 8.984 1.207 1.00 0.00 O ATOM 533 CB ALA A 39 28.978 11.349 2.395 1.00 0.00 C ATOM 0 H ALA A 39 26.071 10.123 2.029 1.00 0.00 H new ATOM 0 HA ALA A 39 27.765 10.792 0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.832 11.641 1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 39 28.356 12.222 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.333 10.936 3.339 1.00 0.00 H new ATOM 539 N GLY A 40 28.290 8.226 0.239 1.00 0.00 N ATOM 540 CA GLY A 40 28.880 6.940 -0.238 1.00 0.00 C ATOM 541 C GLY A 40 29.022 6.693 -1.757 1.00 0.00 C ATOM 542 O GLY A 40 29.159 5.535 -2.156 1.00 0.00 O ATOM 0 H GLY A 40 27.331 8.380 -0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 40 29.873 6.851 0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.276 6.130 0.171 1.00 0.00 H new ATOM 546 N VAL A 41 29.049 7.741 -2.593 1.00 0.00 N ATOM 547 CA VAL A 41 29.492 7.642 -4.019 1.00 0.00 C ATOM 548 C VAL A 41 30.941 8.225 -4.111 1.00 0.00 C ATOM 549 O VAL A 41 31.140 9.443 -4.035 1.00 0.00 O ATOM 550 CB VAL A 41 28.461 8.314 -4.993 1.00 0.00 C ATOM 551 CG1 VAL A 41 28.947 8.433 -6.458 1.00 0.00 C ATOM 552 CG2 VAL A 41 27.118 7.548 -5.030 1.00 0.00 C ATOM 0 H VAL A 41 28.769 8.682 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 41 29.524 6.603 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 41 28.340 9.315 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.173 8.908 -7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.855 9.035 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.156 7.439 -6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.433 8.047 -5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.291 6.526 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 41 26.682 7.530 -4.031 1.00 0.00 H new ATOM 562 N ASP A 42 31.943 7.349 -4.331 1.00 0.00 N ATOM 563 CA ASP A 42 33.363 7.758 -4.534 1.00 0.00 C ATOM 564 C ASP A 42 33.579 8.424 -5.938 1.00 0.00 C ATOM 565 O ASP A 42 33.912 7.753 -6.920 1.00 0.00 O ATOM 566 CB ASP A 42 34.214 6.478 -4.300 1.00 0.00 C ATOM 567 CG ASP A 42 35.731 6.662 -4.369 1.00 0.00 C ATOM 568 OD1 ASP A 42 36.167 6.876 -5.648 1.00 0.00 O ATOM 569 OD2 ASP A 42 36.462 6.609 -3.384 1.00 0.00 O ATOM 0 H ASP A 42 31.799 6.340 -4.374 1.00 0.00 H new ATOM 0 HA ASP A 42 33.671 8.534 -3.833 1.00 0.00 H new ATOM 0 HB2 ASP A 42 33.961 6.071 -3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 42 33.924 5.732 -5.040 1.00 0.00 H new ATOM 574 N GLY A 43 33.383 9.745 -5.995 1.00 0.00 N ATOM 575 CA GLY A 43 33.110 10.456 -7.273 1.00 0.00 C ATOM 576 C GLY A 43 32.312 11.769 -7.106 1.00 0.00 C ATOM 577 O GLY A 43 32.692 12.788 -7.686 1.00 0.00 O ATOM 0 H GLY A 43 33.406 10.354 -5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.058 10.679 -7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.558 9.790 -7.936 1.00 0.00 H new ATOM 581 N PHE A 44 31.214 11.756 -6.324 1.00 0.00 N ATOM 582 CA PHE A 44 30.457 12.990 -5.989 1.00 0.00 C ATOM 583 C PHE A 44 31.113 13.771 -4.801 1.00 0.00 C ATOM 584 O PHE A 44 31.398 13.209 -3.738 1.00 0.00 O ATOM 585 CB PHE A 44 28.986 12.588 -5.684 1.00 0.00 C ATOM 586 CG PHE A 44 28.002 13.772 -5.657 1.00 0.00 C ATOM 587 CD1 PHE A 44 27.448 14.264 -6.845 1.00 0.00 C ATOM 588 CD2 PHE A 44 27.711 14.416 -4.451 1.00 0.00 C ATOM 589 CE1 PHE A 44 26.623 15.386 -6.824 1.00 0.00 C ATOM 590 CE2 PHE A 44 26.895 15.543 -4.431 1.00 0.00 C ATOM 591 CZ PHE A 44 26.349 16.025 -5.618 1.00 0.00 C ATOM 0 H PHE A 44 30.828 10.907 -5.910 1.00 0.00 H new ATOM 0 HA PHE A 44 30.477 13.675 -6.836 1.00 0.00 H new ATOM 0 HB2 PHE A 44 28.654 11.871 -6.435 1.00 0.00 H new ATOM 0 HB3 PHE A 44 28.952 12.080 -4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.661 13.771 -7.782 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.123 14.036 -3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.196 15.760 -7.743 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.686 16.043 -3.497 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.711 16.897 -5.603 1.00 0.00 H new ATOM 601 N ASN A 45 31.290 15.090 -4.972 1.00 0.00 N ATOM 602 CA ASN A 45 31.697 16.009 -3.883 1.00 0.00 C ATOM 603 C ASN A 45 30.493 16.377 -2.950 1.00 0.00 C ATOM 604 O ASN A 45 29.599 17.135 -3.333 1.00 0.00 O ATOM 605 CB ASN A 45 32.423 17.220 -4.535 1.00 0.00 C ATOM 606 CG ASN A 45 31.672 18.100 -5.551 1.00 0.00 C ATOM 607 OD1 ASN A 45 30.965 19.038 -5.208 1.00 0.00 O ATOM 608 ND2 ASN A 45 31.813 17.846 -6.830 1.00 0.00 N ATOM 0 H ASN A 45 31.156 15.556 -5.869 1.00 0.00 H new ATOM 0 HA ASN A 45 32.400 15.529 -3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 45 32.762 17.870 -3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 45 33.315 16.837 -5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 45 31.337 18.426 -7.521 1.00 0.00 H new ATOM 0 HD22 ASN A 45 32.399 17.068 -7.134 1.00 0.00 H new ATOM 615 N TYR A 46 30.455 15.805 -1.736 1.00 0.00 N ATOM 616 CA TYR A 46 29.328 16.001 -0.776 1.00 0.00 C ATOM 617 C TYR A 46 29.532 17.232 0.174 1.00 0.00 C ATOM 618 O TYR A 46 30.660 17.646 0.464 1.00 0.00 O ATOM 619 CB TYR A 46 29.145 14.685 0.043 1.00 0.00 C ATOM 620 CG TYR A 46 28.563 13.480 -0.720 1.00 0.00 C ATOM 621 CD1 TYR A 46 27.179 13.326 -0.848 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.411 12.509 -1.263 1.00 0.00 C ATOM 623 CE1 TYR A 46 26.651 12.214 -1.499 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.882 11.401 -1.919 1.00 0.00 C ATOM 625 CZ TYR A 46 27.503 11.248 -2.031 1.00 0.00 C ATOM 626 OH TYR A 46 27.000 10.117 -2.619 1.00 0.00 O ATOM 0 H TYR A 46 31.193 15.196 -1.383 1.00 0.00 H new ATOM 0 HA TYR A 46 28.427 16.223 -1.348 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.115 14.397 0.448 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.495 14.898 0.892 1.00 0.00 H new ATOM 0 HD1 TYR A 46 26.516 14.074 -0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.482 12.620 -1.173 1.00 0.00 H new ATOM 0 HE1 TYR A 46 25.581 12.100 -1.592 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.543 10.659 -2.342 1.00 0.00 H new ATOM 0 HH TYR A 46 26.021 10.138 -2.584 1.00 0.00 H new ATOM 636 N SER A 47 28.424 17.781 0.719 1.00 0.00 N ATOM 637 CA SER A 47 28.477 18.831 1.780 1.00 0.00 C ATOM 638 C SER A 47 29.135 18.342 3.115 1.00 0.00 C ATOM 639 O SER A 47 29.073 17.157 3.460 1.00 0.00 O ATOM 640 CB SER A 47 27.034 19.344 2.023 1.00 0.00 C ATOM 641 OG SER A 47 27.047 20.528 2.827 1.00 0.00 O ATOM 0 H SER A 47 27.477 17.519 0.446 1.00 0.00 H new ATOM 0 HA SER A 47 29.120 19.637 1.428 1.00 0.00 H new ATOM 0 HB2 SER A 47 26.551 19.552 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 47 26.446 18.570 2.516 1.00 0.00 H new ATOM 0 HG SER A 47 26.280 20.518 3.437 1.00 0.00 H new ATOM 647 N ASP A 48 29.751 19.259 3.885 1.00 0.00 N ATOM 648 CA ASP A 48 30.422 18.911 5.174 1.00 0.00 C ATOM 649 C ASP A 48 29.493 18.256 6.267 1.00 0.00 C ATOM 650 O ASP A 48 29.890 17.191 6.751 1.00 0.00 O ATOM 651 CB ASP A 48 31.256 20.100 5.722 1.00 0.00 C ATOM 652 CG ASP A 48 32.289 20.753 4.793 1.00 0.00 C ATOM 653 OD1 ASP A 48 33.244 19.884 4.337 1.00 0.00 O ATOM 654 OD2 ASP A 48 32.250 21.944 4.502 1.00 0.00 O ATOM 0 H ASP A 48 29.804 20.249 3.646 1.00 0.00 H new ATOM 0 HA ASP A 48 31.113 18.107 4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 48 30.560 20.875 6.042 1.00 0.00 H new ATOM 0 HB3 ASP A 48 31.781 19.755 6.613 1.00 0.00 H new ATOM 659 N PRO A 49 28.268 18.746 6.639 1.00 0.00 N ATOM 660 CA PRO A 49 27.295 17.950 7.442 1.00 0.00 C ATOM 661 C PRO A 49 26.702 16.652 6.799 1.00 0.00 C ATOM 662 O PRO A 49 26.339 15.747 7.548 1.00 0.00 O ATOM 663 CB PRO A 49 26.235 18.994 7.836 1.00 0.00 C ATOM 664 CG PRO A 49 26.345 20.119 6.810 1.00 0.00 C ATOM 665 CD PRO A 49 27.769 20.081 6.264 1.00 0.00 C ATOM 0 HA PRO A 49 27.801 17.483 8.287 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.236 18.557 7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.412 19.368 8.844 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.620 19.983 6.008 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.133 21.084 7.270 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.784 20.222 5.183 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.382 20.871 6.697 1.00 0.00 H new ATOM 673 N MET A 50 26.636 16.513 5.457 1.00 0.00 N ATOM 674 CA MET A 50 26.413 15.189 4.796 1.00 0.00 C ATOM 675 C MET A 50 27.583 14.163 5.005 1.00 0.00 C ATOM 676 O MET A 50 27.325 13.033 5.425 1.00 0.00 O ATOM 677 CB MET A 50 26.039 15.455 3.313 1.00 0.00 C ATOM 678 CG MET A 50 25.641 14.214 2.487 1.00 0.00 C ATOM 679 SD MET A 50 24.302 13.286 3.264 1.00 0.00 S ATOM 680 CE MET A 50 22.869 14.171 2.631 1.00 0.00 C ATOM 0 H MET A 50 26.732 17.291 4.805 1.00 0.00 H new ATOM 0 HA MET A 50 25.582 14.677 5.280 1.00 0.00 H new ATOM 0 HB2 MET A 50 25.212 16.165 3.288 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.887 15.936 2.825 1.00 0.00 H new ATOM 0 HG2 MET A 50 25.334 14.526 1.489 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.509 13.566 2.366 1.00 0.00 H new ATOM 0 HE1 MET A 50 21.974 13.836 3.155 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.003 15.241 2.790 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.761 13.973 1.565 1.00 0.00 H new ATOM 690 N LYS A 51 28.852 14.561 4.783 1.00 0.00 N ATOM 691 CA LYS A 51 30.050 13.777 5.220 1.00 0.00 C ATOM 692 C LYS A 51 30.127 13.443 6.750 1.00 0.00 C ATOM 693 O LYS A 51 30.365 12.287 7.108 1.00 0.00 O ATOM 694 CB LYS A 51 31.341 14.504 4.744 1.00 0.00 C ATOM 695 CG LYS A 51 31.540 14.636 3.214 1.00 0.00 C ATOM 696 CD LYS A 51 32.879 15.270 2.769 1.00 0.00 C ATOM 697 CE LYS A 51 33.061 16.771 3.077 1.00 0.00 C ATOM 698 NZ LYS A 51 33.586 16.995 4.441 1.00 0.00 N ATOM 0 H LYS A 51 29.086 15.428 4.300 1.00 0.00 H new ATOM 0 HA LYS A 51 29.952 12.801 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.347 15.505 5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 51 32.201 13.975 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.462 13.644 2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.723 15.233 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 51 33.692 14.722 3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.985 15.126 1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 51 33.743 17.211 2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 51 32.105 17.282 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 33.279 17.928 4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 33.223 16.257 5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.625 16.957 4.424 1.00 0.00 H new ATOM 711 N ALA A 52 29.910 14.427 7.641 1.00 0.00 N ATOM 712 CA ALA A 52 29.860 14.200 9.109 1.00 0.00 C ATOM 713 C ALA A 52 28.616 13.471 9.723 1.00 0.00 C ATOM 714 O ALA A 52 28.688 13.081 10.891 1.00 0.00 O ATOM 715 CB ALA A 52 30.034 15.594 9.733 1.00 0.00 C ATOM 0 H ALA A 52 29.764 15.400 7.372 1.00 0.00 H new ATOM 0 HA ALA A 52 30.645 13.479 9.339 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.008 15.512 10.820 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.991 16.014 9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.226 16.245 9.399 1.00 0.00 H new ATOM 721 N HIS A 53 27.503 13.266 8.987 1.00 0.00 N ATOM 722 CA HIS A 53 26.315 12.516 9.496 1.00 0.00 C ATOM 723 C HIS A 53 26.595 11.007 9.823 1.00 0.00 C ATOM 724 O HIS A 53 26.306 10.568 10.940 1.00 0.00 O ATOM 725 CB HIS A 53 25.149 12.746 8.493 1.00 0.00 C ATOM 726 CG HIS A 53 23.773 12.222 8.916 1.00 0.00 C ATOM 727 ND1 HIS A 53 23.259 10.992 8.535 1.00 0.00 N ATOM 728 CD2 HIS A 53 22.824 12.940 9.658 1.00 0.00 C ATOM 729 CE1 HIS A 53 22.016 11.079 9.104 1.00 0.00 C ATOM 730 NE2 HIS A 53 21.657 12.209 9.789 1.00 0.00 N ATOM 0 H HIS A 53 27.394 13.608 8.032 1.00 0.00 H new ATOM 0 HA HIS A 53 26.034 12.908 10.473 1.00 0.00 H new ATOM 0 HB2 HIS A 53 25.064 13.817 8.307 1.00 0.00 H new ATOM 0 HB3 HIS A 53 25.416 12.278 7.545 1.00 0.00 H new ATOM 0 HD2 HIS A 53 22.982 13.926 10.070 1.00 0.00 H new ATOM 0 HE1 HIS A 53 21.320 10.258 9.013 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.783 12.444 10.259 1.00 0.00 H new ATOM 738 N GLY A 54 27.164 10.234 8.878 1.00 0.00 N ATOM 739 CA GLY A 54 27.572 8.830 9.138 1.00 0.00 C ATOM 740 C GLY A 54 26.460 7.759 9.071 1.00 0.00 C ATOM 741 O GLY A 54 25.272 8.038 8.886 1.00 0.00 O ATOM 0 H GLY A 54 27.353 10.553 7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 54 28.346 8.562 8.419 1.00 0.00 H new ATOM 0 HA3 GLY A 54 28.027 8.786 10.127 1.00 0.00 H new ATOM 745 N GLY A 55 26.880 6.495 9.212 1.00 0.00 N ATOM 746 CA GLY A 55 25.958 5.337 9.076 1.00 0.00 C ATOM 747 C GLY A 55 25.562 4.989 7.622 1.00 0.00 C ATOM 748 O GLY A 55 26.349 5.156 6.686 1.00 0.00 O ATOM 0 H GLY A 55 27.845 6.239 9.419 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.426 4.463 9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 55 25.051 5.544 9.645 1.00 0.00 H new ATOM 752 N ASP A 56 24.338 4.474 7.447 1.00 0.00 N ATOM 753 CA ASP A 56 23.839 3.995 6.124 1.00 0.00 C ATOM 754 C ASP A 56 22.394 4.506 5.835 1.00 0.00 C ATOM 755 O ASP A 56 21.590 4.732 6.749 1.00 0.00 O ATOM 756 CB ASP A 56 23.881 2.442 6.054 1.00 0.00 C ATOM 757 CG ASP A 56 25.256 1.788 6.197 1.00 0.00 C ATOM 758 OD1 ASP A 56 25.996 1.881 5.060 1.00 0.00 O ATOM 759 OD2 ASP A 56 25.650 1.246 7.225 1.00 0.00 O ATOM 0 H ASP A 56 23.661 4.372 8.203 1.00 0.00 H new ATOM 0 HA ASP A 56 24.499 4.404 5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.233 2.048 6.837 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.454 2.132 5.100 1.00 0.00 H new ATOM 764 N TRP A 57 22.030 4.602 4.542 1.00 0.00 N ATOM 765 CA TRP A 57 20.636 4.913 4.117 1.00 0.00 C ATOM 766 C TRP A 57 19.678 3.685 4.235 1.00 0.00 C ATOM 767 O TRP A 57 19.296 3.036 3.257 1.00 0.00 O ATOM 768 CB TRP A 57 20.650 5.544 2.697 1.00 0.00 C ATOM 769 CG TRP A 57 21.139 6.996 2.631 1.00 0.00 C ATOM 770 CD1 TRP A 57 22.310 7.433 1.981 1.00 0.00 C ATOM 771 CD2 TRP A 57 20.616 8.117 3.259 1.00 0.00 C ATOM 772 NE1 TRP A 57 22.525 8.809 2.179 1.00 0.00 N ATOM 773 CE2 TRP A 57 21.478 9.207 2.988 1.00 0.00 C ATOM 774 CE3 TRP A 57 19.519 8.275 4.148 1.00 0.00 C ATOM 775 CZ2 TRP A 57 21.271 10.453 3.622 1.00 0.00 C ATOM 776 CZ3 TRP A 57 19.344 9.508 4.774 1.00 0.00 C ATOM 777 CH2 TRP A 57 20.212 10.578 4.521 1.00 0.00 C ATOM 0 H TRP A 57 22.678 4.470 3.766 1.00 0.00 H new ATOM 0 HA TRP A 57 20.223 5.648 4.807 1.00 0.00 H new ATOM 0 HB2 TRP A 57 21.284 4.935 2.053 1.00 0.00 H new ATOM 0 HB3 TRP A 57 19.641 5.499 2.287 1.00 0.00 H new ATOM 0 HD1 TRP A 57 22.960 6.793 1.404 1.00 0.00 H new ATOM 0 HE1 TRP A 57 23.283 9.383 1.809 1.00 0.00 H new ATOM 0 HE3 TRP A 57 18.837 7.459 4.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.920 11.291 3.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 18.525 9.641 5.466 1.00 0.00 H new ATOM 0 HH2 TRP A 57 20.058 11.517 5.032 1.00 0.00 H new ATOM 788 N THR A 58 19.265 3.413 5.478 1.00 0.00 N ATOM 789 CA THR A 58 18.234 2.395 5.819 1.00 0.00 C ATOM 790 C THR A 58 16.780 2.867 5.444 1.00 0.00 C ATOM 791 O THR A 58 16.554 4.080 5.317 1.00 0.00 O ATOM 792 CB THR A 58 18.358 2.056 7.343 1.00 0.00 C ATOM 793 OG1 THR A 58 18.138 3.202 8.159 1.00 0.00 O ATOM 794 CG2 THR A 58 19.698 1.435 7.780 1.00 0.00 C ATOM 0 H THR A 58 19.636 3.895 6.297 1.00 0.00 H new ATOM 0 HA THR A 58 18.412 1.497 5.227 1.00 0.00 H new ATOM 0 HB THR A 58 17.583 1.303 7.485 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.222 2.952 9.103 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.676 1.240 8.852 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.857 0.499 7.244 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.510 2.126 7.553 1.00 0.00 H new ATOM 802 N PRO A 59 15.745 1.987 5.283 1.00 0.00 N ATOM 803 CA PRO A 59 14.355 2.435 4.967 1.00 0.00 C ATOM 804 C PRO A 59 13.672 3.432 5.966 1.00 0.00 C ATOM 805 O PRO A 59 12.954 4.327 5.517 1.00 0.00 O ATOM 806 CB PRO A 59 13.613 1.101 4.747 1.00 0.00 C ATOM 807 CG PRO A 59 14.434 0.037 5.476 1.00 0.00 C ATOM 808 CD PRO A 59 15.881 0.518 5.369 1.00 0.00 C ATOM 0 HA PRO A 59 14.338 3.088 4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.598 1.149 5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.531 0.871 3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.124 -0.057 6.517 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.308 -0.943 5.016 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.470 0.219 6.236 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.377 0.108 4.490 1.00 0.00 H new ATOM 816 N GLU A 60 13.931 3.341 7.285 1.00 0.00 N ATOM 817 CA GLU A 60 13.575 4.420 8.253 1.00 0.00 C ATOM 818 C GLU A 60 14.409 5.748 8.156 1.00 0.00 C ATOM 819 O GLU A 60 13.807 6.818 8.310 1.00 0.00 O ATOM 820 CB GLU A 60 13.543 3.824 9.686 1.00 0.00 C ATOM 821 CG GLU A 60 13.095 4.780 10.827 1.00 0.00 C ATOM 822 CD GLU A 60 11.698 5.395 10.691 1.00 0.00 C ATOM 823 OE1 GLU A 60 11.683 6.473 9.848 1.00 0.00 O ATOM 824 OE2 GLU A 60 10.711 4.961 11.278 1.00 0.00 O ATOM 0 H GLU A 60 14.385 2.535 7.714 1.00 0.00 H new ATOM 0 HA GLU A 60 12.581 4.767 7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.876 2.962 9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.540 3.454 9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.137 4.232 11.768 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.820 5.591 10.898 1.00 0.00 H new ATOM 831 N ALA A 61 15.738 5.712 7.927 1.00 0.00 N ATOM 832 CA ALA A 61 16.532 6.932 7.593 1.00 0.00 C ATOM 833 C ALA A 61 16.122 7.668 6.271 1.00 0.00 C ATOM 834 O ALA A 61 15.970 8.894 6.280 1.00 0.00 O ATOM 835 CB ALA A 61 18.019 6.528 7.596 1.00 0.00 C ATOM 0 H ALA A 61 16.292 4.856 7.965 1.00 0.00 H new ATOM 0 HA ALA A 61 16.320 7.683 8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.632 7.396 7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.292 6.153 8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.186 5.749 6.852 1.00 0.00 H new ATOM 841 N LEU A 62 15.876 6.929 5.171 1.00 0.00 N ATOM 842 CA LEU A 62 15.200 7.468 3.954 1.00 0.00 C ATOM 843 C LEU A 62 13.754 8.030 4.182 1.00 0.00 C ATOM 844 O LEU A 62 13.470 9.119 3.686 1.00 0.00 O ATOM 845 CB LEU A 62 15.219 6.386 2.836 1.00 0.00 C ATOM 846 CG LEU A 62 16.602 6.017 2.234 1.00 0.00 C ATOM 847 CD1 LEU A 62 16.490 4.736 1.393 1.00 0.00 C ATOM 848 CD2 LEU A 62 17.185 7.149 1.365 1.00 0.00 C ATOM 0 H LEU A 62 16.135 5.946 5.092 1.00 0.00 H new ATOM 0 HA LEU A 62 15.774 8.344 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.771 5.477 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.576 6.727 2.024 1.00 0.00 H new ATOM 0 HG LEU A 62 17.280 5.857 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.466 4.488 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.145 3.916 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.779 4.894 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.152 6.841 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.505 7.362 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.311 8.046 1.972 1.00 0.00 H new ATOM 860 N GLN A 63 12.861 7.370 4.953 1.00 0.00 N ATOM 861 CA GLN A 63 11.573 7.986 5.411 1.00 0.00 C ATOM 862 C GLN A 63 11.691 9.356 6.165 1.00 0.00 C ATOM 863 O GLN A 63 10.932 10.278 5.851 1.00 0.00 O ATOM 864 CB GLN A 63 10.765 6.964 6.256 1.00 0.00 C ATOM 865 CG GLN A 63 10.072 5.842 5.444 1.00 0.00 C ATOM 866 CD GLN A 63 9.438 4.764 6.324 1.00 0.00 C ATOM 867 OE1 GLN A 63 8.332 4.907 6.827 1.00 0.00 O ATOM 868 NE2 GLN A 63 10.116 3.665 6.548 1.00 0.00 N ATOM 0 H GLN A 63 12.998 6.412 5.276 1.00 0.00 H new ATOM 0 HA GLN A 63 11.044 8.236 4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.436 6.504 6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.006 7.504 6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.303 6.283 4.810 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.803 5.378 4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.039 3.541 6.131 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.721 2.934 7.139 1.00 0.00 H new ATOM 877 N GLU A 64 12.635 9.514 7.112 1.00 0.00 N ATOM 878 CA GLU A 64 12.939 10.834 7.740 1.00 0.00 C ATOM 879 C GLU A 64 13.562 11.882 6.757 1.00 0.00 C ATOM 880 O GLU A 64 13.001 12.972 6.606 1.00 0.00 O ATOM 881 CB GLU A 64 13.805 10.632 9.020 1.00 0.00 C ATOM 882 CG GLU A 64 13.142 9.878 10.202 1.00 0.00 C ATOM 883 CD GLU A 64 11.903 10.549 10.798 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.225 11.506 11.717 1.00 0.00 O ATOM 885 OE2 GLU A 64 10.756 10.258 10.469 1.00 0.00 O ATOM 0 H GLU A 64 13.207 8.747 7.466 1.00 0.00 H new ATOM 0 HA GLU A 64 11.984 11.273 8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.709 10.092 8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.118 11.613 9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.866 8.879 9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.882 9.754 10.992 1.00 0.00 H new ATOM 892 N PHE A 65 14.684 11.571 6.076 1.00 0.00 N ATOM 893 CA PHE A 65 15.301 12.480 5.063 1.00 0.00 C ATOM 894 C PHE A 65 14.403 12.862 3.838 1.00 0.00 C ATOM 895 O PHE A 65 14.409 14.021 3.426 1.00 0.00 O ATOM 896 CB PHE A 65 16.656 11.846 4.650 1.00 0.00 C ATOM 897 CG PHE A 65 17.575 12.733 3.790 1.00 0.00 C ATOM 898 CD1 PHE A 65 18.337 13.744 4.385 1.00 0.00 C ATOM 899 CD2 PHE A 65 17.671 12.524 2.409 1.00 0.00 C ATOM 900 CE1 PHE A 65 19.174 14.540 3.608 1.00 0.00 C ATOM 901 CE2 PHE A 65 18.511 13.322 1.637 1.00 0.00 C ATOM 902 CZ PHE A 65 19.258 14.332 2.234 1.00 0.00 C ATOM 0 H PHE A 65 15.190 10.695 6.204 1.00 0.00 H new ATOM 0 HA PHE A 65 15.444 13.455 5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.195 11.566 5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.453 10.926 4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 65 18.276 13.908 5.451 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.092 11.742 1.941 1.00 0.00 H new ATOM 0 HE1 PHE A 65 19.759 15.320 4.072 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.583 13.156 0.572 1.00 0.00 H new ATOM 0 HZ PHE A 65 19.903 14.955 1.632 1.00 0.00 H new ATOM 912 N LEU A 66 13.614 11.936 3.271 1.00 0.00 N ATOM 913 CA LEU A 66 12.584 12.280 2.247 1.00 0.00 C ATOM 914 C LEU A 66 11.271 12.940 2.797 1.00 0.00 C ATOM 915 O LEU A 66 10.554 13.550 2.004 1.00 0.00 O ATOM 916 CB LEU A 66 12.306 11.046 1.342 1.00 0.00 C ATOM 917 CG LEU A 66 13.525 10.383 0.637 1.00 0.00 C ATOM 918 CD1 LEU A 66 13.081 9.141 -0.148 1.00 0.00 C ATOM 919 CD2 LEU A 66 14.283 11.354 -0.284 1.00 0.00 C ATOM 0 H LEU A 66 13.660 10.942 3.496 1.00 0.00 H new ATOM 0 HA LEU A 66 13.015 13.079 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.815 10.286 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.595 11.347 0.573 1.00 0.00 H new ATOM 0 HG LEU A 66 14.219 10.086 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.946 8.690 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.632 8.420 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.350 9.430 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.122 10.835 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.610 11.721 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.655 12.195 0.301 1.00 0.00 H new ATOM 931 N THR A 67 10.965 12.905 4.113 1.00 0.00 N ATOM 932 CA THR A 67 9.988 13.842 4.748 1.00 0.00 C ATOM 933 C THR A 67 10.485 15.333 4.743 1.00 0.00 C ATOM 934 O THR A 67 9.748 16.197 4.266 1.00 0.00 O ATOM 935 CB THR A 67 9.608 13.330 6.174 1.00 0.00 C ATOM 936 OG1 THR A 67 9.121 11.993 6.136 1.00 0.00 O ATOM 937 CG2 THR A 67 8.488 14.133 6.846 1.00 0.00 C ATOM 0 H THR A 67 11.378 12.238 4.765 1.00 0.00 H new ATOM 0 HA THR A 67 9.082 13.849 4.143 1.00 0.00 H new ATOM 0 HB THR A 67 10.537 13.428 6.736 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.835 11.377 6.404 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.282 13.716 7.832 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.798 15.173 6.949 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.587 14.082 6.235 1.00 0.00 H new ATOM 945 N ASN A 68 11.699 15.642 5.250 1.00 0.00 N ATOM 946 CA ASN A 68 12.343 16.972 5.053 1.00 0.00 C ATOM 947 C ASN A 68 13.908 16.795 5.055 1.00 0.00 C ATOM 948 O ASN A 68 14.456 16.474 6.118 1.00 0.00 O ATOM 949 CB ASN A 68 11.842 17.986 6.120 1.00 0.00 C ATOM 950 CG ASN A 68 12.271 19.443 5.870 1.00 0.00 C ATOM 951 OD1 ASN A 68 13.434 19.763 5.640 1.00 0.00 O ATOM 952 ND2 ASN A 68 11.363 20.384 5.933 1.00 0.00 N ATOM 0 H ASN A 68 12.258 14.991 5.801 1.00 0.00 H new ATOM 0 HA ASN A 68 12.060 17.388 4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.754 17.943 6.160 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.209 17.676 7.098 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.628 21.359 5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.390 20.142 6.123 1.00 0.00 H new ATOM 959 N PRO A 69 14.676 17.014 3.944 1.00 0.00 N ATOM 960 CA PRO A 69 16.145 16.750 3.928 1.00 0.00 C ATOM 961 C PRO A 69 17.057 17.782 4.661 1.00 0.00 C ATOM 962 O PRO A 69 17.932 17.383 5.433 1.00 0.00 O ATOM 963 CB PRO A 69 16.427 16.595 2.424 1.00 0.00 C ATOM 964 CG PRO A 69 15.361 17.428 1.714 1.00 0.00 C ATOM 965 CD PRO A 69 14.124 17.325 2.608 1.00 0.00 C ATOM 0 HA PRO A 69 16.402 15.872 4.520 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.428 16.947 2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.372 15.549 2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.680 18.464 1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 69 15.160 17.043 0.714 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.558 18.257 2.616 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.446 16.544 2.264 1.00 0.00 H new ATOM 973 N LYS A 70 16.836 19.087 4.437 1.00 0.00 N ATOM 974 CA LYS A 70 17.540 20.186 5.165 1.00 0.00 C ATOM 975 C LYS A 70 17.233 20.328 6.697 1.00 0.00 C ATOM 976 O LYS A 70 18.121 20.754 7.439 1.00 0.00 O ATOM 977 CB LYS A 70 17.320 21.514 4.389 1.00 0.00 C ATOM 978 CG LYS A 70 18.096 21.618 3.052 1.00 0.00 C ATOM 979 CD LYS A 70 17.788 22.914 2.277 1.00 0.00 C ATOM 980 CE LYS A 70 18.670 23.057 1.027 1.00 0.00 C ATOM 981 NZ LYS A 70 18.278 24.252 0.255 1.00 0.00 N ATOM 0 H LYS A 70 16.165 19.424 3.747 1.00 0.00 H new ATOM 0 HA LYS A 70 18.595 19.912 5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.255 21.628 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.613 22.346 5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.166 21.568 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.849 20.760 2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.738 22.921 1.983 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.942 23.773 2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.717 23.133 1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.577 22.167 0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.883 24.335 -0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.285 24.164 -0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.390 25.100 0.847 1.00 0.00 H new ATOM 994 N ALA A 71 16.039 19.947 7.196 1.00 0.00 N ATOM 995 CA ALA A 71 15.822 19.698 8.649 1.00 0.00 C ATOM 996 C ALA A 71 16.582 18.467 9.257 1.00 0.00 C ATOM 997 O ALA A 71 17.119 18.582 10.361 1.00 0.00 O ATOM 998 CB ALA A 71 14.303 19.592 8.874 1.00 0.00 C ATOM 0 H ALA A 71 15.208 19.804 6.622 1.00 0.00 H new ATOM 0 HA ALA A 71 16.259 20.538 9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 71 14.103 19.409 9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.824 20.523 8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.904 18.769 8.281 1.00 0.00 H new ATOM 1004 N VAL A 72 16.641 17.312 8.560 1.00 0.00 N ATOM 1005 CA VAL A 72 17.425 16.117 9.013 1.00 0.00 C ATOM 1006 C VAL A 72 18.976 16.338 8.913 1.00 0.00 C ATOM 1007 O VAL A 72 19.663 16.211 9.931 1.00 0.00 O ATOM 1008 CB VAL A 72 16.890 14.820 8.303 1.00 0.00 C ATOM 1009 CG1 VAL A 72 17.740 13.547 8.541 1.00 0.00 C ATOM 1010 CG2 VAL A 72 15.447 14.466 8.732 1.00 0.00 C ATOM 0 H VAL A 72 16.155 17.171 7.674 1.00 0.00 H new ATOM 0 HA VAL A 72 17.262 15.969 10.081 1.00 0.00 H new ATOM 0 HB VAL A 72 16.943 15.090 7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.292 12.706 8.012 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.752 13.711 8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.775 13.327 9.608 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.124 13.563 8.214 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.419 14.296 9.808 1.00 0.00 H new ATOM 0 HG23 VAL A 72 14.779 15.289 8.477 1.00 0.00 H new ATOM 1020 N VAL A 73 19.530 16.652 7.725 1.00 0.00 N ATOM 1021 CA VAL A 73 20.963 17.050 7.588 1.00 0.00 C ATOM 1022 C VAL A 73 21.000 18.611 7.492 1.00 0.00 C ATOM 1023 O VAL A 73 20.756 19.188 6.426 1.00 0.00 O ATOM 1024 CB VAL A 73 21.666 16.332 6.385 1.00 0.00 C ATOM 1025 CG1 VAL A 73 23.157 16.729 6.261 1.00 0.00 C ATOM 1026 CG2 VAL A 73 21.624 14.786 6.446 1.00 0.00 C ATOM 0 H VAL A 73 19.017 16.641 6.844 1.00 0.00 H new ATOM 0 HA VAL A 73 21.537 16.728 8.457 1.00 0.00 H new ATOM 0 HB VAL A 73 21.088 16.669 5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.603 16.207 5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 73 23.235 17.805 6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 73 23.684 16.454 7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.133 14.374 5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.122 14.444 7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.587 14.450 6.453 1.00 0.00 H new ATOM 1036 N LYS A 74 21.342 19.289 8.604 1.00 0.00 N ATOM 1037 CA LYS A 74 21.387 20.779 8.661 1.00 0.00 C ATOM 1038 C LYS A 74 22.619 21.336 7.869 1.00 0.00 C ATOM 1039 O LYS A 74 23.756 21.302 8.345 1.00 0.00 O ATOM 1040 CB LYS A 74 21.334 21.194 10.160 1.00 0.00 C ATOM 1041 CG LYS A 74 20.892 22.648 10.472 1.00 0.00 C ATOM 1042 CD LYS A 74 21.851 23.798 10.087 1.00 0.00 C ATOM 1043 CE LYS A 74 23.192 23.784 10.840 1.00 0.00 C ATOM 1044 NZ LYS A 74 24.016 24.937 10.434 1.00 0.00 N ATOM 0 H LYS A 74 21.593 18.835 9.482 1.00 0.00 H new ATOM 0 HA LYS A 74 20.528 21.227 8.162 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.655 20.515 10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.324 21.041 10.589 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.942 22.823 9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.702 22.716 11.543 1.00 0.00 H new ATOM 0 HD2 LYS A 74 22.049 23.747 9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 74 21.353 24.749 10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 74 23.014 23.815 11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.725 22.856 10.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.919 24.917 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 24.200 24.890 9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 23.511 25.819 10.655 1.00 0.00 H new ATOM 1057 N GLY A 75 22.370 21.803 6.633 1.00 0.00 N ATOM 1058 CA GLY A 75 23.449 22.123 5.653 1.00 0.00 C ATOM 1059 C GLY A 75 23.719 21.137 4.485 1.00 0.00 C ATOM 1060 O GLY A 75 24.786 21.228 3.865 1.00 0.00 O ATOM 0 H GLY A 75 21.429 21.971 6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.220 23.095 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.378 22.235 6.211 1.00 0.00 H new ATOM 1064 N THR A 76 22.782 20.242 4.122 1.00 0.00 N ATOM 1065 CA THR A 76 22.827 19.520 2.818 1.00 0.00 C ATOM 1066 C THR A 76 22.460 20.453 1.622 1.00 0.00 C ATOM 1067 O THR A 76 21.479 21.202 1.666 1.00 0.00 O ATOM 1068 CB THR A 76 21.968 18.218 2.840 1.00 0.00 C ATOM 1069 OG1 THR A 76 22.151 17.483 1.633 1.00 0.00 O ATOM 1070 CG2 THR A 76 20.447 18.379 3.005 1.00 0.00 C ATOM 0 H THR A 76 21.983 19.995 4.706 1.00 0.00 H new ATOM 0 HA THR A 76 23.860 19.207 2.663 1.00 0.00 H new ATOM 0 HB THR A 76 22.335 17.715 3.735 1.00 0.00 H new ATOM 0 HG1 THR A 76 21.608 16.668 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.975 17.397 3.003 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.235 18.882 3.948 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.052 18.973 2.180 1.00 0.00 H new ATOM 1078 N LYS A 77 23.219 20.349 0.522 1.00 0.00 N ATOM 1079 CA LYS A 77 22.853 21.010 -0.770 1.00 0.00 C ATOM 1080 C LYS A 77 21.724 20.337 -1.636 1.00 0.00 C ATOM 1081 O LYS A 77 21.503 20.754 -2.777 1.00 0.00 O ATOM 1082 CB LYS A 77 24.163 21.310 -1.550 1.00 0.00 C ATOM 1083 CG LYS A 77 24.996 20.100 -2.036 1.00 0.00 C ATOM 1084 CD LYS A 77 26.304 20.538 -2.715 1.00 0.00 C ATOM 1085 CE LYS A 77 27.197 19.345 -3.072 1.00 0.00 C ATOM 1086 NZ LYS A 77 28.482 19.837 -3.600 1.00 0.00 N ATOM 0 H LYS A 77 24.090 19.819 0.486 1.00 0.00 H new ATOM 0 HA LYS A 77 22.344 21.939 -0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.906 21.913 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.801 21.924 -0.914 1.00 0.00 H new ATOM 0 HG2 LYS A 77 25.226 19.454 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.404 19.510 -2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 77 26.072 21.100 -3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.848 21.212 -2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 77 27.366 18.726 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.704 18.716 -3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 29.160 19.050 -3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 28.338 20.233 -4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 28.856 20.576 -2.971 1.00 0.00 H new ATOM 1099 N MET A 78 20.953 19.369 -1.095 1.00 0.00 N ATOM 1100 CA MET A 78 19.727 18.839 -1.743 1.00 0.00 C ATOM 1101 C MET A 78 18.551 19.866 -1.641 1.00 0.00 C ATOM 1102 O MET A 78 17.820 19.909 -0.644 1.00 0.00 O ATOM 1103 CB MET A 78 19.430 17.437 -1.132 1.00 0.00 C ATOM 1104 CG MET A 78 18.124 16.791 -1.641 1.00 0.00 C ATOM 1105 SD MET A 78 18.224 14.969 -1.857 1.00 0.00 S ATOM 1106 CE MET A 78 16.614 14.609 -1.056 1.00 0.00 C ATOM 0 H MET A 78 21.160 18.931 -0.197 1.00 0.00 H new ATOM 0 HA MET A 78 19.867 18.703 -2.815 1.00 0.00 H new ATOM 0 HB2 MET A 78 20.263 16.771 -1.356 1.00 0.00 H new ATOM 0 HB3 MET A 78 19.378 17.529 -0.047 1.00 0.00 H new ATOM 0 HG2 MET A 78 17.321 17.020 -0.940 1.00 0.00 H new ATOM 0 HG3 MET A 78 17.854 17.245 -2.594 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.387 13.547 -1.156 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.667 14.871 0.001 1.00 0.00 H new ATOM 0 HE3 MET A 78 15.830 15.194 -1.536 1.00 0.00 H new ATOM 1116 N ALA A 79 18.361 20.673 -2.704 1.00 0.00 N ATOM 1117 CA ALA A 79 17.264 21.676 -2.772 1.00 0.00 C ATOM 1118 C ALA A 79 15.869 21.045 -3.107 1.00 0.00 C ATOM 1119 O ALA A 79 15.333 21.156 -4.214 1.00 0.00 O ATOM 1120 CB ALA A 79 17.732 22.753 -3.770 1.00 0.00 C ATOM 0 H ALA A 79 18.953 20.654 -3.534 1.00 0.00 H new ATOM 0 HA ALA A 79 17.084 22.128 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.964 23.521 -3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.656 23.205 -3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.907 22.295 -4.744 1.00 0.00 H new ATOM 1126 N PHE A 80 15.298 20.371 -2.100 1.00 0.00 N ATOM 1127 CA PHE A 80 14.021 19.625 -2.212 1.00 0.00 C ATOM 1128 C PHE A 80 13.234 19.825 -0.880 1.00 0.00 C ATOM 1129 O PHE A 80 13.755 19.562 0.208 1.00 0.00 O ATOM 1130 CB PHE A 80 14.358 18.134 -2.520 1.00 0.00 C ATOM 1131 CG PHE A 80 13.146 17.212 -2.731 1.00 0.00 C ATOM 1132 CD1 PHE A 80 12.410 17.271 -3.919 1.00 0.00 C ATOM 1133 CD2 PHE A 80 12.743 16.336 -1.717 1.00 0.00 C ATOM 1134 CE1 PHE A 80 11.275 16.481 -4.082 1.00 0.00 C ATOM 1135 CE2 PHE A 80 11.608 15.547 -1.882 1.00 0.00 C ATOM 1136 CZ PHE A 80 10.869 15.627 -3.060 1.00 0.00 C ATOM 0 H PHE A 80 15.710 20.323 -1.168 1.00 0.00 H new ATOM 0 HA PHE A 80 13.387 19.985 -3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.980 18.097 -3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 80 14.956 17.738 -1.699 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.723 17.932 -4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.315 16.272 -0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.710 16.531 -5.001 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.300 14.873 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.980 15.026 -3.181 1.00 0.00 H new ATOM 1146 N ALA A 81 11.965 20.262 -0.956 1.00 0.00 N ATOM 1147 CA ALA A 81 11.113 20.445 0.252 1.00 0.00 C ATOM 1148 C ALA A 81 10.733 19.135 1.022 1.00 0.00 C ATOM 1149 O ALA A 81 10.954 19.060 2.235 1.00 0.00 O ATOM 1150 CB ALA A 81 9.887 21.274 -0.180 1.00 0.00 C ATOM 0 H ALA A 81 11.500 20.497 -1.833 1.00 0.00 H new ATOM 0 HA ALA A 81 11.698 20.974 1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.234 21.432 0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.218 22.238 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.342 20.739 -0.957 1.00 0.00 H new ATOM 1156 N GLY A 82 10.179 18.120 0.335 1.00 0.00 N ATOM 1157 CA GLY A 82 9.780 16.846 0.979 1.00 0.00 C ATOM 1158 C GLY A 82 8.633 16.086 0.277 1.00 0.00 C ATOM 1159 O GLY A 82 7.829 16.643 -0.475 1.00 0.00 O ATOM 0 H GLY A 82 9.995 18.153 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.651 16.193 1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.481 17.055 2.006 1.00 0.00 H new ATOM 1163 N LEU A 83 8.536 14.792 0.597 1.00 0.00 N ATOM 1164 CA LEU A 83 7.377 13.937 0.231 1.00 0.00 C ATOM 1165 C LEU A 83 6.443 13.791 1.488 1.00 0.00 C ATOM 1166 O LEU A 83 6.754 12.953 2.346 1.00 0.00 O ATOM 1167 CB LEU A 83 7.887 12.550 -0.262 1.00 0.00 C ATOM 1168 CG LEU A 83 8.672 12.481 -1.595 1.00 0.00 C ATOM 1169 CD1 LEU A 83 9.203 11.055 -1.816 1.00 0.00 C ATOM 1170 CD2 LEU A 83 7.832 12.892 -2.816 1.00 0.00 C ATOM 0 H LEU A 83 9.257 14.295 1.120 1.00 0.00 H new ATOM 0 HA LEU A 83 6.806 14.390 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.524 12.134 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.023 11.892 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 83 9.492 13.194 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.754 11.014 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.865 10.782 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.367 10.357 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.441 12.822 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.972 12.228 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.486 13.918 -2.691 1.00 0.00 H new ATOM 1182 N PRO A 84 5.309 14.539 1.662 1.00 0.00 N ATOM 1183 CA PRO A 84 4.441 14.417 2.874 1.00 0.00 C ATOM 1184 C PRO A 84 3.633 13.087 3.052 1.00 0.00 C ATOM 1185 O PRO A 84 3.487 12.615 4.185 1.00 0.00 O ATOM 1186 CB PRO A 84 3.561 15.679 2.774 1.00 0.00 C ATOM 1187 CG PRO A 84 3.507 16.020 1.284 1.00 0.00 C ATOM 1188 CD PRO A 84 4.889 15.632 0.759 1.00 0.00 C ATOM 0 HA PRO A 84 5.044 14.356 3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.563 15.494 3.171 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.986 16.501 3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.718 15.464 0.777 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.304 17.079 1.125 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.845 15.301 -0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.583 16.472 0.796 1.00 0.00 H new ATOM 1196 N LYS A 85 3.162 12.459 1.960 1.00 0.00 N ATOM 1197 CA LYS A 85 2.470 11.143 2.000 1.00 0.00 C ATOM 1198 C LYS A 85 3.438 9.957 2.325 1.00 0.00 C ATOM 1199 O LYS A 85 4.458 9.758 1.652 1.00 0.00 O ATOM 1200 CB LYS A 85 1.782 10.891 0.629 1.00 0.00 C ATOM 1201 CG LYS A 85 0.579 11.799 0.286 1.00 0.00 C ATOM 1202 CD LYS A 85 0.002 11.483 -1.108 1.00 0.00 C ATOM 1203 CE LYS A 85 -1.198 12.376 -1.456 1.00 0.00 C ATOM 1204 NZ LYS A 85 -1.682 12.057 -2.813 1.00 0.00 N ATOM 0 H LYS A 85 3.247 12.844 1.019 1.00 0.00 H new ATOM 0 HA LYS A 85 1.735 11.183 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.531 11.005 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.446 9.854 0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.199 11.671 1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.890 12.843 0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.780 11.614 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.303 10.437 -1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.997 12.226 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.910 13.426 -1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.494 12.664 -3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.920 12.222 -3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.973 11.059 -2.852 1.00 0.00 H new ATOM 1217 N ILE A 86 3.069 9.122 3.315 1.00 0.00 N ATOM 1218 CA ILE A 86 3.752 7.821 3.592 1.00 0.00 C ATOM 1219 C ILE A 86 3.803 6.816 2.386 1.00 0.00 C ATOM 1220 O ILE A 86 4.876 6.274 2.115 1.00 0.00 O ATOM 1221 CB ILE A 86 3.213 7.209 4.937 1.00 0.00 C ATOM 1222 CG1 ILE A 86 4.021 5.974 5.421 1.00 0.00 C ATOM 1223 CG2 ILE A 86 1.709 6.823 4.920 1.00 0.00 C ATOM 1224 CD1 ILE A 86 5.452 6.260 5.898 1.00 0.00 C ATOM 0 H ILE A 86 2.294 9.319 3.949 1.00 0.00 H new ATOM 0 HA ILE A 86 4.811 8.040 3.727 1.00 0.00 H new ATOM 0 HB ILE A 86 3.346 8.035 5.636 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.473 5.501 6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.067 5.251 4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.428 6.410 5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.108 7.709 4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.533 6.078 4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.923 5.329 6.213 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.026 6.700 5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.424 6.954 6.738 1.00 0.00 H new ATOM 1236 N GLU A 87 2.694 6.606 1.647 1.00 0.00 N ATOM 1237 CA GLU A 87 2.699 5.817 0.380 1.00 0.00 C ATOM 1238 C GLU A 87 3.680 6.294 -0.743 1.00 0.00 C ATOM 1239 O GLU A 87 4.344 5.451 -1.344 1.00 0.00 O ATOM 1240 CB GLU A 87 1.242 5.602 -0.114 1.00 0.00 C ATOM 1241 CG GLU A 87 0.481 6.842 -0.658 1.00 0.00 C ATOM 1242 CD GLU A 87 -0.933 6.522 -1.132 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -1.196 6.070 -2.241 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -1.872 6.792 -0.184 1.00 0.00 O ATOM 0 H GLU A 87 1.776 6.970 1.901 1.00 0.00 H new ATOM 0 HA GLU A 87 3.136 4.852 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.261 4.847 -0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.664 5.188 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.432 7.601 0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.046 7.272 -1.485 1.00 0.00 H new ATOM 1251 N ASP A 88 3.843 7.612 -0.987 1.00 0.00 N ATOM 1252 CA ASP A 88 4.932 8.142 -1.867 1.00 0.00 C ATOM 1253 C ASP A 88 6.381 7.782 -1.399 1.00 0.00 C ATOM 1254 O ASP A 88 7.177 7.315 -2.215 1.00 0.00 O ATOM 1255 CB ASP A 88 4.787 9.679 -2.058 1.00 0.00 C ATOM 1256 CG ASP A 88 3.553 10.179 -2.818 1.00 0.00 C ATOM 1257 OD1 ASP A 88 2.670 9.453 -3.264 1.00 0.00 O ATOM 1258 OD2 ASP A 88 3.556 11.540 -2.936 1.00 0.00 O ATOM 0 H ASP A 88 3.241 8.335 -0.593 1.00 0.00 H new ATOM 0 HA ASP A 88 4.800 7.636 -2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.787 10.143 -1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.674 10.039 -2.580 1.00 0.00 H new ATOM 1263 N ARG A 89 6.706 7.954 -0.103 1.00 0.00 N ATOM 1264 CA ARG A 89 7.987 7.471 0.489 1.00 0.00 C ATOM 1265 C ARG A 89 8.178 5.915 0.443 1.00 0.00 C ATOM 1266 O ARG A 89 9.188 5.447 -0.087 1.00 0.00 O ATOM 1267 CB ARG A 89 8.147 8.028 1.936 1.00 0.00 C ATOM 1268 CG ARG A 89 8.087 9.572 2.080 1.00 0.00 C ATOM 1269 CD ARG A 89 8.552 10.143 3.435 1.00 0.00 C ATOM 1270 NE ARG A 89 7.741 9.672 4.598 1.00 0.00 N ATOM 1271 CZ ARG A 89 6.647 10.270 5.074 1.00 0.00 C ATOM 1272 NH1 ARG A 89 6.078 11.303 4.513 1.00 0.00 N ATOM 1273 NH2 ARG A 89 6.109 9.800 6.159 1.00 0.00 N ATOM 0 H ARG A 89 6.099 8.427 0.566 1.00 0.00 H new ATOM 0 HA ARG A 89 8.785 7.862 -0.142 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.366 7.594 2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.101 7.682 2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.698 10.014 1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.060 9.894 1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.594 9.868 3.596 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.512 11.231 3.393 1.00 0.00 H new ATOM 0 HE ARG A 89 8.050 8.821 5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.470 11.700 3.659 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.242 11.713 4.929 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.523 8.993 6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.272 10.238 6.545 1.00 0.00 H new ATOM 1287 N ALA A 90 7.218 5.124 0.959 1.00 0.00 N ATOM 1288 CA ALA A 90 7.261 3.639 0.913 1.00 0.00 C ATOM 1289 C ALA A 90 7.256 2.968 -0.503 1.00 0.00 C ATOM 1290 O ALA A 90 8.079 2.080 -0.749 1.00 0.00 O ATOM 1291 CB ALA A 90 6.089 3.173 1.792 1.00 0.00 C ATOM 0 H ALA A 90 6.387 5.492 1.422 1.00 0.00 H new ATOM 0 HA ALA A 90 8.233 3.311 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.056 2.084 1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.225 3.546 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.154 3.559 1.386 1.00 0.00 H new ATOM 1297 N ASN A 91 6.395 3.408 -1.446 1.00 0.00 N ATOM 1298 CA ASN A 91 6.461 2.974 -2.874 1.00 0.00 C ATOM 1299 C ASN A 91 7.794 3.348 -3.612 1.00 0.00 C ATOM 1300 O ASN A 91 8.382 2.489 -4.276 1.00 0.00 O ATOM 1301 CB ASN A 91 5.228 3.510 -3.656 1.00 0.00 C ATOM 1302 CG ASN A 91 3.855 2.941 -3.274 1.00 0.00 C ATOM 1303 OD1 ASN A 91 3.701 1.804 -2.842 1.00 0.00 O ATOM 1304 ND2 ASN A 91 2.799 3.693 -3.462 1.00 0.00 N ATOM 0 H ASN A 91 5.641 4.066 -1.251 1.00 0.00 H new ATOM 0 HA ASN A 91 6.445 1.884 -2.852 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.192 4.592 -3.530 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.391 3.318 -4.716 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.870 3.330 -3.250 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.906 4.642 -3.821 1.00 0.00 H new ATOM 1311 N LEU A 92 8.299 4.595 -3.472 1.00 0.00 N ATOM 1312 CA LEU A 92 9.689 4.964 -3.872 1.00 0.00 C ATOM 1313 C LEU A 92 10.842 4.114 -3.238 1.00 0.00 C ATOM 1314 O LEU A 92 11.739 3.690 -3.969 1.00 0.00 O ATOM 1315 CB LEU A 92 9.845 6.486 -3.617 1.00 0.00 C ATOM 1316 CG LEU A 92 11.174 7.143 -4.066 1.00 0.00 C ATOM 1317 CD1 LEU A 92 11.380 7.075 -5.585 1.00 0.00 C ATOM 1318 CD2 LEU A 92 11.204 8.608 -3.625 1.00 0.00 C ATOM 0 H LEU A 92 7.765 5.372 -3.083 1.00 0.00 H new ATOM 0 HA LEU A 92 9.808 4.722 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.026 6.999 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.723 6.664 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 92 11.981 6.583 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.326 7.550 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.397 6.033 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.563 7.594 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.141 9.065 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.368 9.141 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.124 8.663 -2.539 1.00 0.00 H new ATOM 1330 N ILE A 93 10.818 3.831 -1.921 1.00 0.00 N ATOM 1331 CA ILE A 93 11.768 2.871 -1.270 1.00 0.00 C ATOM 1332 C ILE A 93 11.650 1.404 -1.831 1.00 0.00 C ATOM 1333 O ILE A 93 12.695 0.821 -2.120 1.00 0.00 O ATOM 1334 CB ILE A 93 11.710 3.029 0.293 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.208 4.432 0.772 1.00 0.00 C ATOM 1336 CG2 ILE A 93 12.510 1.942 1.059 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.740 4.847 2.176 1.00 0.00 C ATOM 0 H ILE A 93 10.151 4.250 -1.273 1.00 0.00 H new ATOM 0 HA ILE A 93 12.789 3.132 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 93 10.652 2.912 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.298 4.439 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.871 5.183 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.424 2.115 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.110 0.957 0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.559 1.989 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.138 5.833 2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.651 4.879 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.099 4.124 2.908 1.00 0.00 H new ATOM 1349 N ALA A 94 10.449 0.829 -2.073 1.00 0.00 N ATOM 1350 CA ALA A 94 10.301 -0.403 -2.909 1.00 0.00 C ATOM 1351 C ALA A 94 10.920 -0.353 -4.351 1.00 0.00 C ATOM 1352 O ALA A 94 11.612 -1.295 -4.749 1.00 0.00 O ATOM 1353 CB ALA A 94 8.808 -0.784 -2.952 1.00 0.00 C ATOM 0 H ALA A 94 9.568 1.190 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 94 10.901 -1.170 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.679 -1.681 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.452 -0.975 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.236 0.034 -3.389 1.00 0.00 H new ATOM 1359 N TYR A 95 10.725 0.744 -5.111 1.00 0.00 N ATOM 1360 CA TYR A 95 11.484 1.010 -6.369 1.00 0.00 C ATOM 1361 C TYR A 95 13.040 1.122 -6.215 1.00 0.00 C ATOM 1362 O TYR A 95 13.758 0.481 -6.982 1.00 0.00 O ATOM 1363 CB TYR A 95 10.828 2.239 -7.056 1.00 0.00 C ATOM 1364 CG TYR A 95 11.406 2.628 -8.425 1.00 0.00 C ATOM 1365 CD1 TYR A 95 11.225 1.793 -9.534 1.00 0.00 C ATOM 1366 CD2 TYR A 95 12.143 3.808 -8.566 1.00 0.00 C ATOM 1367 CE1 TYR A 95 11.785 2.130 -10.763 1.00 0.00 C ATOM 1368 CE2 TYR A 95 12.690 4.148 -9.800 1.00 0.00 C ATOM 1369 CZ TYR A 95 12.514 3.307 -10.895 1.00 0.00 C ATOM 1370 OH TYR A 95 13.052 3.630 -12.111 1.00 0.00 O ATOM 0 H TYR A 95 10.046 1.469 -4.881 1.00 0.00 H new ATOM 0 HA TYR A 95 11.404 0.131 -7.009 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.763 2.039 -7.176 1.00 0.00 H new ATOM 0 HB3 TYR A 95 10.918 3.096 -6.388 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.649 0.885 -9.436 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.288 4.457 -7.715 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.653 1.478 -11.614 1.00 0.00 H new ATOM 0 HE2 TYR A 95 13.251 5.065 -9.908 1.00 0.00 H new ATOM 0 HH TYR A 95 13.097 4.605 -12.200 1.00 0.00 H new ATOM 1380 N LEU A 96 13.562 1.892 -5.246 1.00 0.00 N ATOM 1381 CA LEU A 96 15.023 1.931 -4.935 1.00 0.00 C ATOM 1382 C LEU A 96 15.643 0.627 -4.314 1.00 0.00 C ATOM 1383 O LEU A 96 16.833 0.386 -4.517 1.00 0.00 O ATOM 1384 CB LEU A 96 15.312 3.190 -4.074 1.00 0.00 C ATOM 1385 CG LEU A 96 14.999 4.578 -4.708 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.118 5.695 -3.658 1.00 0.00 C ATOM 1387 CD2 LEU A 96 15.904 4.889 -5.914 1.00 0.00 C ATOM 0 H LEU A 96 13.000 2.504 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 96 15.537 1.989 -5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.740 3.105 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.367 3.175 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 96 13.972 4.534 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.895 6.656 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.411 5.510 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.132 5.712 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.646 5.867 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.946 4.892 -5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.761 4.128 -6.682 1.00 0.00 H new ATOM 1399 N GLU A 97 14.867 -0.226 -3.615 1.00 0.00 N ATOM 1400 CA GLU A 97 15.217 -1.662 -3.378 1.00 0.00 C ATOM 1401 C GLU A 97 15.301 -2.550 -4.671 1.00 0.00 C ATOM 1402 O GLU A 97 16.235 -3.344 -4.795 1.00 0.00 O ATOM 1403 CB GLU A 97 14.217 -2.278 -2.358 1.00 0.00 C ATOM 1404 CG GLU A 97 14.359 -1.779 -0.901 1.00 0.00 C ATOM 1405 CD GLU A 97 13.285 -2.319 0.038 1.00 0.00 C ATOM 1406 OE1 GLU A 97 12.208 -1.766 0.236 1.00 0.00 O ATOM 1407 OE2 GLU A 97 13.657 -3.485 0.635 1.00 0.00 O ATOM 0 H GLU A 97 13.979 0.050 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 97 16.231 -1.660 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.203 -2.068 -2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.338 -3.361 -2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.339 -2.067 -0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.322 -0.690 -0.894 1.00 0.00 H new ATOM 1414 N GLY A 98 14.362 -2.419 -5.632 1.00 0.00 N ATOM 1415 CA GLY A 98 14.535 -2.974 -7.007 1.00 0.00 C ATOM 1416 C GLY A 98 15.710 -2.428 -7.863 1.00 0.00 C ATOM 1417 O GLY A 98 16.433 -3.214 -8.477 1.00 0.00 O ATOM 0 H GLY A 98 13.475 -1.936 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.657 -4.054 -6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.610 -2.801 -7.557 1.00 0.00 H new ATOM 1421 N GLN A 99 15.911 -1.101 -7.895 1.00 0.00 N ATOM 1422 CA GLN A 99 17.098 -0.463 -8.535 1.00 0.00 C ATOM 1423 C GLN A 99 18.379 -0.553 -7.629 1.00 0.00 C ATOM 1424 O GLN A 99 18.779 0.428 -6.989 1.00 0.00 O ATOM 1425 CB GLN A 99 16.729 1.015 -8.879 1.00 0.00 C ATOM 1426 CG GLN A 99 15.627 1.266 -9.944 1.00 0.00 C ATOM 1427 CD GLN A 99 16.000 0.962 -11.402 1.00 0.00 C ATOM 1428 OE1 GLN A 99 17.102 0.555 -11.753 1.00 0.00 O ATOM 1429 NE2 GLN A 99 15.088 1.177 -12.318 1.00 0.00 N ATOM 0 H GLN A 99 15.262 -0.431 -7.481 1.00 0.00 H new ATOM 0 HA GLN A 99 17.350 -1.000 -9.449 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.418 1.504 -7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 99 17.637 1.516 -9.215 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.757 0.664 -9.682 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.323 2.311 -9.881 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.164 1.516 -12.048 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.302 1.006 -13.301 1.00 0.00 H new ATOM 1438 N GLN A 100 19.029 -1.732 -7.592 1.00 0.00 N ATOM 1439 CA GLN A 100 20.294 -1.947 -6.837 1.00 0.00 C ATOM 1440 C GLN A 100 21.273 -2.791 -7.686 1.00 0.00 C ATOM 1441 O GLN A 100 21.019 -3.993 -7.933 1.00 0.00 O ATOM 1442 CB GLN A 100 20.073 -2.547 -5.418 1.00 0.00 C ATOM 1443 CG GLN A 100 19.281 -1.647 -4.429 1.00 0.00 C ATOM 1444 CD GLN A 100 19.422 -1.941 -2.933 1.00 0.00 C ATOM 1445 OE1 GLN A 100 18.513 -2.419 -2.264 1.00 0.00 O ATOM 1446 NE2 GLN A 100 20.536 -1.592 -2.336 1.00 0.00 N ATOM 1447 OXT GLN A 100 22.322 -2.240 -8.099 1.00 0.00 O ATOM 0 H GLN A 100 18.699 -2.564 -8.081 1.00 0.00 H new ATOM 0 HA GLN A 100 20.740 -0.969 -6.657 1.00 0.00 H new ATOM 0 HB2 GLN A 100 19.546 -3.495 -5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 100 21.046 -2.769 -4.981 1.00 0.00 H new ATOM 0 HG2 GLN A 100 19.585 -0.614 -4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 100 18.224 -1.715 -4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 100 21.302 -1.193 -2.879 1.00 0.00 H new ATOM 0 HE22 GLN A 100 20.637 -1.720 -1.329 1.00 0.00 H new