USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 408 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 Single : A 1 VAL N :NH3+ -114:sc= -0.128 (180deg=-0.382) USER MOD Single : A 5 TYR OH : rot 137:sc= 1.18 USER MOD Single : A 8 GLN : amide:sc= 0.519 K(o=0.52,f=0) USER MOD Single : A 11 ASN : amide:sc= 0.457 K(o=0.46,f=-6.9!) USER MOD Single : A 12 CYS SG : rot 38:sc= 0.729 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 20 SER OG : rot -41:sc= 0.402 USER MOD Single : A 21 SER OG : rot 180:sc= 0.112 USER MOD Single : A 25 THR OG1 : rot 70:sc= 0.369 USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= 0.157 (180deg=0.047) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 178:sc= 0.201 USER MOD Single : A 34 SER OG : rot 7:sc= 0.847 USER MOD Single : A 36 HIS : no HE2:sc= 0.553 K(o=0.55,f=-1.8!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.748 X(o=-0.75,f=-0.56) USER MOD Single : A 50 ASN : amide:sc= 1.51 K(o=1.5,f=-4!) USER MOD Single : A 55 ASN : amide:sc= -0.619 K(o=-0.62,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.789 12.522 4.555 1.00 0.00 N ATOM 2 CA VAL A 1 6.231 11.163 4.335 1.00 0.00 C ATOM 3 C VAL A 1 5.310 10.834 5.482 1.00 0.00 C ATOM 4 O VAL A 1 5.030 11.665 6.344 1.00 0.00 O ATOM 5 CB VAL A 1 7.346 10.110 4.225 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.164 10.371 2.945 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.245 10.063 5.482 1.00 0.00 C ATOM 0 H1 VAL A 1 6.438 13.165 3.817 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.492 12.872 5.488 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.827 12.482 4.514 1.00 0.00 H new ATOM 0 HA VAL A 1 5.681 11.150 3.394 1.00 0.00 H new ATOM 0 HB VAL A 1 6.883 9.125 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.956 9.627 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.510 10.304 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.605 11.367 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.015 9.303 5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.716 11.035 5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.639 9.818 6.354 1.00 0.00 H new ATOM 19 N ARG A 2 4.838 9.580 5.540 1.00 0.00 N ATOM 20 CA ARG A 2 4.130 9.019 6.643 1.00 0.00 C ATOM 21 C ARG A 2 4.377 7.588 6.285 1.00 0.00 C ATOM 22 O ARG A 2 4.976 7.342 5.233 1.00 0.00 O ATOM 23 CB ARG A 2 2.618 9.383 6.770 1.00 0.00 C ATOM 24 CG ARG A 2 1.666 8.999 5.614 1.00 0.00 C ATOM 25 CD ARG A 2 1.871 9.747 4.279 1.00 0.00 C ATOM 26 NE ARG A 2 1.071 9.098 3.179 1.00 0.00 N ATOM 27 CZ ARG A 2 1.535 7.987 2.534 1.00 0.00 C ATOM 28 NH1 ARG A 2 2.511 7.207 3.083 1.00 0.00 N ATOM 29 NH2 ARG A 2 1.030 7.674 1.308 1.00 0.00 N ATOM 0 H ARG A 2 4.958 8.920 4.772 1.00 0.00 H new ATOM 0 HA ARG A 2 4.454 9.367 7.624 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.240 8.916 7.679 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.548 10.461 6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.770 7.930 5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.641 9.166 5.945 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.569 10.789 4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.929 9.748 4.015 1.00 0.00 H new ATOM 0 HE ARG A 2 0.170 9.494 2.912 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.907 7.450 3.991 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.844 6.381 2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.316 8.266 0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.366 6.848 0.814 1.00 0.00 H new ATOM 43 N ASP A 3 3.949 6.625 7.117 1.00 0.00 N ATOM 44 CA ASP A 3 4.215 5.230 6.896 1.00 0.00 C ATOM 45 C ASP A 3 2.817 4.726 6.937 1.00 0.00 C ATOM 46 O ASP A 3 2.025 5.266 7.714 1.00 0.00 O ATOM 47 CB ASP A 3 5.034 4.557 8.033 1.00 0.00 C ATOM 48 CG ASP A 3 6.270 5.395 8.370 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.036 5.743 7.436 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.459 5.706 9.578 1.00 0.00 O ATOM 0 H ASP A 3 3.408 6.813 7.961 1.00 0.00 H new ATOM 0 HA ASP A 3 4.803 5.035 5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.411 4.444 8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.338 3.556 7.727 1.00 0.00 H new ATOM 55 N GLY A 4 2.436 3.748 6.096 1.00 0.00 N ATOM 56 CA GLY A 4 1.089 3.285 6.160 1.00 0.00 C ATOM 57 C GLY A 4 1.131 1.976 5.493 1.00 0.00 C ATOM 58 O GLY A 4 2.165 1.583 4.953 1.00 0.00 O ATOM 0 H GLY A 4 3.031 3.296 5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.746 3.197 7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.407 3.969 5.654 1.00 0.00 H new ATOM 62 N TYR A 5 -0.034 1.307 5.437 1.00 0.00 N ATOM 63 CA TYR A 5 -0.218 0.152 4.601 1.00 0.00 C ATOM 64 C TYR A 5 -0.503 0.726 3.253 1.00 0.00 C ATOM 65 O TYR A 5 -1.345 1.615 3.148 1.00 0.00 O ATOM 66 CB TYR A 5 -1.440 -0.693 4.996 1.00 0.00 C ATOM 67 CG TYR A 5 -1.111 -1.626 6.112 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.218 -1.229 7.455 1.00 0.00 C ATOM 69 CD2 TYR A 5 -0.764 -2.950 5.817 1.00 0.00 C ATOM 70 CE1 TYR A 5 -1.054 -2.159 8.487 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.605 -3.877 6.845 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.804 -3.502 8.175 1.00 0.00 C ATOM 73 OH TYR A 5 -0.851 -4.504 9.168 1.00 0.00 O ATOM 0 H TYR A 5 -0.860 1.567 5.976 1.00 0.00 H new ATOM 0 HA TYR A 5 0.655 -0.497 4.667 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.258 -0.037 5.295 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.787 -1.262 4.133 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.429 -0.197 7.693 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.619 -3.253 4.791 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.120 -1.844 9.518 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.326 -4.894 6.611 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.320 -5.290 8.818 1.00 0.00 H new ATOM 83 N ILE A 6 0.200 0.270 2.196 1.00 0.00 N ATOM 84 CA ILE A 6 0.078 0.869 0.892 1.00 0.00 C ATOM 85 C ILE A 6 -1.184 0.338 0.274 1.00 0.00 C ATOM 86 O ILE A 6 -1.462 -0.876 0.280 1.00 0.00 O ATOM 87 CB ILE A 6 1.297 0.795 -0.033 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.080 1.513 -1.390 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.709 -0.662 -0.220 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.289 1.515 -2.335 1.00 0.00 C ATOM 0 H ILE A 6 0.853 -0.512 2.241 1.00 0.00 H new ATOM 0 HA ILE A 6 0.025 1.948 1.037 1.00 0.00 H new ATOM 0 HB ILE A 6 2.111 1.337 0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.241 1.041 -1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.792 2.546 -1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.576 -0.713 -0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.962 -1.096 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.884 -1.219 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.032 2.042 -3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.128 2.017 -1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.568 0.488 -2.571 1.00 0.00 H new ATOM 102 N ALA A 7 -1.970 1.326 -0.201 1.00 0.00 N ATOM 103 CA ALA A 7 -3.186 1.165 -0.939 1.00 0.00 C ATOM 104 C ALA A 7 -2.930 1.619 -2.334 1.00 0.00 C ATOM 105 O ALA A 7 -1.805 1.928 -2.711 1.00 0.00 O ATOM 106 CB ALA A 7 -4.350 2.035 -0.437 1.00 0.00 C ATOM 0 H ALA A 7 -1.736 2.308 -0.057 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.468 0.117 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.232 1.852 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.571 1.784 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.073 3.087 -0.504 1.00 0.00 H new ATOM 112 N GLN A 8 -4.020 1.742 -3.113 1.00 0.00 N ATOM 113 CA GLN A 8 -4.006 2.410 -4.382 1.00 0.00 C ATOM 114 C GLN A 8 -4.575 3.733 -3.974 1.00 0.00 C ATOM 115 O GLN A 8 -5.363 3.727 -3.024 1.00 0.00 O ATOM 116 CB GLN A 8 -4.999 1.818 -5.411 1.00 0.00 C ATOM 117 CG GLN A 8 -4.723 0.351 -5.756 1.00 0.00 C ATOM 118 CD GLN A 8 -6.013 -0.247 -6.322 1.00 0.00 C ATOM 119 OE1 GLN A 8 -6.570 0.239 -7.313 1.00 0.00 O ATOM 120 NE2 GLN A 8 -6.524 -1.311 -5.638 1.00 0.00 N ATOM 0 H GLN A 8 -4.934 1.369 -2.857 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.023 2.376 -4.851 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.012 1.906 -5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.959 2.411 -6.325 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.915 0.275 -6.484 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.405 -0.197 -4.869 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.030 -1.680 -4.825 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.400 -1.738 -5.939 1.00 0.00 H new ATOM 129 N PRO A 9 -4.282 4.855 -4.618 1.00 0.00 N ATOM 130 CA PRO A 9 -5.082 6.057 -4.483 1.00 0.00 C ATOM 131 C PRO A 9 -6.458 5.728 -5.027 1.00 0.00 C ATOM 132 O PRO A 9 -6.508 4.987 -6.006 1.00 0.00 O ATOM 133 CB PRO A 9 -4.377 7.105 -5.372 1.00 0.00 C ATOM 134 CG PRO A 9 -2.996 6.505 -5.691 1.00 0.00 C ATOM 135 CD PRO A 9 -3.229 4.997 -5.620 1.00 0.00 C ATOM 0 HA PRO A 9 -5.182 6.422 -3.461 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.944 7.293 -6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.281 8.059 -4.854 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.646 6.810 -6.677 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.244 6.828 -4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.537 4.594 -6.585 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.324 4.465 -5.327 1.00 0.00 H new ATOM 143 N GLU A 10 -7.577 6.188 -4.439 1.00 0.00 N ATOM 144 CA GLU A 10 -7.655 7.212 -3.424 1.00 0.00 C ATOM 145 C GLU A 10 -7.595 6.561 -2.079 1.00 0.00 C ATOM 146 O GLU A 10 -6.912 7.032 -1.171 1.00 0.00 O ATOM 147 CB GLU A 10 -8.971 8.011 -3.532 1.00 0.00 C ATOM 148 CG GLU A 10 -8.926 9.134 -4.588 1.00 0.00 C ATOM 149 CD GLU A 10 -8.830 8.562 -6.001 1.00 0.00 C ATOM 150 OE1 GLU A 10 -9.819 7.921 -6.449 1.00 0.00 O ATOM 151 OE2 GLU A 10 -7.766 8.753 -6.647 1.00 0.00 O ATOM 0 H GLU A 10 -8.497 5.822 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.822 7.901 -3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.783 7.326 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.203 8.447 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.820 9.752 -4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.071 9.782 -4.397 1.00 0.00 H new ATOM 158 N ASN A 11 -8.317 5.442 -1.939 1.00 0.00 N ATOM 159 CA ASN A 11 -8.374 4.638 -0.773 1.00 0.00 C ATOM 160 C ASN A 11 -8.669 3.397 -1.528 1.00 0.00 C ATOM 161 O ASN A 11 -9.390 3.495 -2.523 1.00 0.00 O ATOM 162 CB ASN A 11 -9.583 4.960 0.137 1.00 0.00 C ATOM 163 CG ASN A 11 -9.663 3.975 1.307 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.675 3.309 1.638 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.837 3.944 1.998 1.00 0.00 N ATOM 0 H ASN A 11 -8.899 5.078 -2.694 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.520 4.694 -0.098 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.496 5.977 0.518 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.504 4.915 -0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.926 3.354 2.825 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.626 4.511 1.688 1.00 0.00 H new ATOM 172 N CYS A 12 -8.110 2.270 -1.082 1.00 0.00 N ATOM 173 CA CYS A 12 -8.269 0.936 -1.617 1.00 0.00 C ATOM 174 C CYS A 12 -7.396 0.188 -0.662 1.00 0.00 C ATOM 175 O CYS A 12 -7.153 0.686 0.434 1.00 0.00 O ATOM 176 CB CYS A 12 -7.771 0.707 -3.077 1.00 0.00 C ATOM 177 SG CYS A 12 -8.889 1.268 -4.390 1.00 0.00 S ATOM 0 H CYS A 12 -7.488 2.278 -0.274 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.318 0.651 -1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.815 1.216 -3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.585 -0.358 -3.215 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.459 2.379 -4.029 1.00 0.00 H new ATOM 182 N VAL A 13 -6.865 -0.977 -1.080 1.00 0.00 N ATOM 183 CA VAL A 13 -5.731 -1.630 -0.511 1.00 0.00 C ATOM 184 C VAL A 13 -5.001 -1.883 -1.797 1.00 0.00 C ATOM 185 O VAL A 13 -5.601 -1.729 -2.867 1.00 0.00 O ATOM 186 CB VAL A 13 -6.003 -2.949 0.217 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.776 -2.686 1.525 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.757 -3.957 -0.677 1.00 0.00 C ATOM 0 H VAL A 13 -7.256 -1.494 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.242 -1.054 0.274 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.041 -3.399 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.963 -3.632 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.186 -2.037 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.726 -2.203 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.929 -4.879 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.714 -3.531 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.161 -4.174 -1.563 1.00 0.00 H new ATOM 198 N TYR A 14 -3.715 -2.284 -1.746 1.00 0.00 N ATOM 199 CA TYR A 14 -3.065 -2.874 -2.893 1.00 0.00 C ATOM 200 C TYR A 14 -3.166 -4.356 -2.627 1.00 0.00 C ATOM 201 O TYR A 14 -3.920 -4.777 -1.754 1.00 0.00 O ATOM 202 CB TYR A 14 -1.593 -2.408 -3.104 1.00 0.00 C ATOM 203 CG TYR A 14 -1.416 -1.712 -4.435 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.830 -2.307 -5.645 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.811 -0.449 -4.484 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.669 -1.634 -6.866 1.00 0.00 C ATOM 207 CE2 TYR A 14 -0.644 0.226 -5.696 1.00 0.00 C ATOM 208 CZ TYR A 14 -1.077 -0.362 -6.891 1.00 0.00 C ATOM 209 OH TYR A 14 -0.902 0.334 -8.104 1.00 0.00 O ATOM 0 H TYR A 14 -3.123 -2.203 -0.919 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.542 -2.568 -3.824 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.305 -1.733 -2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.927 -3.269 -3.051 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.276 -3.291 -5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.468 0.011 -3.569 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.000 -2.094 -7.785 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.181 1.202 -5.711 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.476 1.199 -7.927 1.00 0.00 H new ATOM 219 N HIS A 15 -2.422 -5.202 -3.357 1.00 0.00 N ATOM 220 CA HIS A 15 -2.349 -6.605 -3.069 1.00 0.00 C ATOM 221 C HIS A 15 -0.873 -6.749 -3.108 1.00 0.00 C ATOM 222 O HIS A 15 -0.191 -5.831 -3.573 1.00 0.00 O ATOM 223 CB HIS A 15 -2.996 -7.538 -4.127 1.00 0.00 C ATOM 224 CG HIS A 15 -4.486 -7.706 -3.991 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.373 -6.663 -3.926 1.00 0.00 N ATOM 226 CD2 HIS A 15 -5.213 -8.845 -3.911 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.595 -7.159 -3.806 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.526 -8.481 -3.792 1.00 0.00 N ATOM 0 H HIS A 15 -1.862 -4.912 -4.159 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.877 -6.886 -2.158 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.778 -7.145 -5.120 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.526 -8.519 -4.062 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.828 -9.854 -3.936 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.502 -6.578 -3.731 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.317 -9.119 -3.707 1.00 0.00 H new ATOM 237 N CYS A 16 -0.357 -7.885 -2.621 1.00 0.00 N ATOM 238 CA CYS A 16 1.031 -8.136 -2.465 1.00 0.00 C ATOM 239 C CYS A 16 0.960 -9.607 -2.631 1.00 0.00 C ATOM 240 O CYS A 16 -0.145 -10.157 -2.630 1.00 0.00 O ATOM 241 CB CYS A 16 1.551 -7.749 -1.056 1.00 0.00 C ATOM 242 SG CYS A 16 3.342 -7.859 -0.804 1.00 0.00 S ATOM 0 H CYS A 16 -0.940 -8.667 -2.322 1.00 0.00 H new ATOM 0 HA CYS A 16 1.699 -7.588 -3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.238 -6.727 -0.844 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.062 -8.390 -0.323 1.00 0.00 H new ATOM 247 N PHE A 17 2.108 -10.272 -2.816 1.00 0.00 N ATOM 248 CA PHE A 17 2.161 -11.666 -3.095 1.00 0.00 C ATOM 249 C PHE A 17 3.140 -12.097 -2.055 1.00 0.00 C ATOM 250 O PHE A 17 4.181 -11.434 -2.005 1.00 0.00 O ATOM 251 CB PHE A 17 2.778 -11.944 -4.484 1.00 0.00 C ATOM 252 CG PHE A 17 2.036 -11.168 -5.543 1.00 0.00 C ATOM 253 CD1 PHE A 17 0.704 -11.478 -5.864 1.00 0.00 C ATOM 254 CD2 PHE A 17 2.651 -10.080 -6.187 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.004 -10.721 -6.814 1.00 0.00 C ATOM 256 CE2 PHE A 17 1.960 -9.326 -7.144 1.00 0.00 C ATOM 257 CZ PHE A 17 0.635 -9.652 -7.461 1.00 0.00 C ATOM 0 H PHE A 17 3.025 -9.827 -2.770 1.00 0.00 H new ATOM 0 HA PHE A 17 1.187 -12.155 -3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.831 -11.663 -4.486 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.733 -13.011 -4.704 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.215 -12.307 -5.374 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.670 -9.822 -5.940 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.023 -10.963 -7.047 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.447 -8.497 -7.636 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.101 -9.079 -8.204 1.00 0.00 H new ATOM 267 N PRO A 18 2.916 -13.120 -1.222 1.00 0.00 N ATOM 268 CA PRO A 18 3.854 -13.508 -0.183 1.00 0.00 C ATOM 269 C PRO A 18 5.240 -13.773 -0.719 1.00 0.00 C ATOM 270 O PRO A 18 5.380 -14.562 -1.647 1.00 0.00 O ATOM 271 CB PRO A 18 3.228 -14.786 0.378 1.00 0.00 C ATOM 272 CG PRO A 18 1.721 -14.510 0.329 1.00 0.00 C ATOM 273 CD PRO A 18 1.558 -13.551 -0.863 1.00 0.00 C ATOM 0 HA PRO A 18 3.998 -12.723 0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.494 -15.657 -0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.565 -14.983 1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.151 -15.428 0.184 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.367 -14.059 1.256 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.072 -14.049 -1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.935 -12.697 -0.595 1.00 0.00 H new ATOM 281 N GLY A 19 6.257 -13.070 -0.185 1.00 0.00 N ATOM 282 CA GLY A 19 7.561 -13.010 -0.787 1.00 0.00 C ATOM 283 C GLY A 19 7.828 -11.549 -0.882 1.00 0.00 C ATOM 284 O GLY A 19 8.888 -11.089 -0.469 1.00 0.00 O ATOM 0 H GLY A 19 6.176 -12.533 0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.309 -13.517 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.574 -13.486 -1.768 1.00 0.00 H new ATOM 288 N SER A 20 6.819 -10.795 -1.377 1.00 0.00 N ATOM 289 CA SER A 20 6.731 -9.351 -1.406 1.00 0.00 C ATOM 290 C SER A 20 7.263 -8.752 -2.671 1.00 0.00 C ATOM 291 O SER A 20 7.214 -7.535 -2.832 1.00 0.00 O ATOM 292 CB SER A 20 7.320 -8.577 -0.199 1.00 0.00 C ATOM 293 OG SER A 20 6.917 -9.157 1.040 1.00 0.00 O ATOM 0 H SER A 20 5.995 -11.230 -1.792 1.00 0.00 H new ATOM 0 HA SER A 20 5.651 -9.217 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.408 -8.573 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.995 -7.537 -0.238 1.00 0.00 H new ATOM 0 HG SER A 20 5.973 -9.416 0.988 1.00 0.00 H new ATOM 299 N SER A 21 7.748 -9.585 -3.616 1.00 0.00 N ATOM 300 CA SER A 21 8.489 -9.208 -4.797 1.00 0.00 C ATOM 301 C SER A 21 7.743 -8.223 -5.671 1.00 0.00 C ATOM 302 O SER A 21 8.286 -7.217 -6.135 1.00 0.00 O ATOM 303 CB SER A 21 8.826 -10.496 -5.597 1.00 0.00 C ATOM 304 OG SER A 21 7.845 -11.512 -5.355 1.00 0.00 O ATOM 0 H SER A 21 7.615 -10.594 -3.554 1.00 0.00 H new ATOM 0 HA SER A 21 9.400 -8.701 -4.480 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.867 -10.269 -6.662 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.813 -10.860 -5.311 1.00 0.00 H new ATOM 0 HG SER A 21 8.072 -12.315 -5.868 1.00 0.00 H new ATOM 310 N GLY A 22 6.439 -8.482 -5.886 1.00 0.00 N ATOM 311 CA GLY A 22 5.630 -7.634 -6.725 1.00 0.00 C ATOM 312 C GLY A 22 5.364 -6.316 -6.065 1.00 0.00 C ATOM 313 O GLY A 22 5.515 -5.272 -6.695 1.00 0.00 O ATOM 0 H GLY A 22 5.941 -9.275 -5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.135 -7.472 -7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.685 -8.131 -6.946 1.00 0.00 H new ATOM 317 N CYS A 23 4.976 -6.302 -4.767 1.00 0.00 N ATOM 318 CA CYS A 23 4.595 -5.048 -4.156 1.00 0.00 C ATOM 319 C CYS A 23 5.811 -4.255 -3.767 1.00 0.00 C ATOM 320 O CYS A 23 5.731 -3.036 -3.690 1.00 0.00 O ATOM 321 CB CYS A 23 3.613 -5.147 -2.973 1.00 0.00 C ATOM 322 SG CYS A 23 2.728 -3.573 -2.705 1.00 0.00 S ATOM 0 H CYS A 23 4.926 -7.120 -4.160 1.00 0.00 H new ATOM 0 HA CYS A 23 4.035 -4.528 -4.933 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.893 -5.943 -3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.157 -5.418 -2.068 1.00 0.00 H new ATOM 327 N ASP A 24 6.990 -4.898 -3.585 1.00 0.00 N ATOM 328 CA ASP A 24 8.267 -4.212 -3.487 1.00 0.00 C ATOM 329 C ASP A 24 8.475 -3.339 -4.704 1.00 0.00 C ATOM 330 O ASP A 24 8.886 -2.189 -4.592 1.00 0.00 O ATOM 331 CB ASP A 24 9.466 -5.193 -3.348 1.00 0.00 C ATOM 332 CG ASP A 24 10.787 -4.457 -3.087 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.856 -3.712 -2.072 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.733 -4.626 -3.899 1.00 0.00 O ATOM 0 H ASP A 24 7.064 -5.912 -3.504 1.00 0.00 H new ATOM 0 HA ASP A 24 8.233 -3.605 -2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.272 -5.889 -2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.556 -5.786 -4.258 1.00 0.00 H new ATOM 339 N THR A 25 8.120 -3.852 -5.895 1.00 0.00 N ATOM 340 CA THR A 25 8.224 -3.113 -7.130 1.00 0.00 C ATOM 341 C THR A 25 7.305 -1.897 -7.095 1.00 0.00 C ATOM 342 O THR A 25 7.733 -0.790 -7.422 1.00 0.00 O ATOM 343 CB THR A 25 7.900 -3.978 -8.333 1.00 0.00 C ATOM 344 OG1 THR A 25 8.585 -5.231 -8.259 1.00 0.00 O ATOM 345 CG2 THR A 25 8.324 -3.258 -9.631 1.00 0.00 C ATOM 0 H THR A 25 7.753 -4.797 -6.010 1.00 0.00 H new ATOM 0 HA THR A 25 9.258 -2.782 -7.230 1.00 0.00 H new ATOM 0 HB THR A 25 6.825 -4.156 -8.338 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.196 -5.775 -7.543 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.088 -3.887 -10.490 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.788 -2.313 -9.715 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.397 -3.066 -9.607 1.00 0.00 H new ATOM 353 N LEU A 26 6.033 -2.068 -6.644 1.00 0.00 N ATOM 354 CA LEU A 26 5.054 -0.992 -6.539 1.00 0.00 C ATOM 355 C LEU A 26 5.514 0.030 -5.523 1.00 0.00 C ATOM 356 O LEU A 26 5.404 1.245 -5.703 1.00 0.00 O ATOM 357 CB LEU A 26 3.630 -1.455 -6.116 1.00 0.00 C ATOM 358 CG LEU A 26 2.741 -2.056 -7.240 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.501 -1.065 -8.395 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.214 -3.420 -7.770 1.00 0.00 C ATOM 0 H LEU A 26 5.671 -2.973 -6.344 1.00 0.00 H new ATOM 0 HA LEU A 26 4.985 -0.577 -7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.732 -2.199 -5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.106 -0.602 -5.685 1.00 0.00 H new ATOM 0 HG LEU A 26 1.786 -2.245 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.874 -1.535 -9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.002 -0.175 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.457 -0.784 -8.837 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.535 -3.762 -8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.219 -3.322 -8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.224 -4.143 -6.955 1.00 0.00 H new ATOM 372 N CYS A 27 6.064 -0.466 -4.401 1.00 0.00 N ATOM 373 CA CYS A 27 6.578 0.348 -3.332 1.00 0.00 C ATOM 374 C CYS A 27 7.741 1.165 -3.823 1.00 0.00 C ATOM 375 O CYS A 27 7.844 2.345 -3.501 1.00 0.00 O ATOM 376 CB CYS A 27 7.022 -0.510 -2.117 1.00 0.00 C ATOM 377 SG CYS A 27 7.072 0.402 -0.554 1.00 0.00 S ATOM 0 H CYS A 27 6.156 -1.467 -4.227 1.00 0.00 H new ATOM 0 HA CYS A 27 5.774 1.007 -3.004 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.340 -1.354 -2.012 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.011 -0.922 -2.318 1.00 0.00 H new ATOM 382 N LYS A 28 8.638 0.574 -4.641 1.00 0.00 N ATOM 383 CA LYS A 28 9.831 1.263 -5.091 1.00 0.00 C ATOM 384 C LYS A 28 9.496 2.335 -6.091 1.00 0.00 C ATOM 385 O LYS A 28 10.097 3.408 -6.074 1.00 0.00 O ATOM 386 CB LYS A 28 10.868 0.297 -5.716 1.00 0.00 C ATOM 387 CG LYS A 28 11.577 -0.576 -4.663 1.00 0.00 C ATOM 388 CD LYS A 28 12.712 0.135 -3.903 1.00 0.00 C ATOM 389 CE LYS A 28 13.085 -0.577 -2.592 1.00 0.00 C ATOM 390 NZ LYS A 28 12.106 -0.280 -1.519 1.00 0.00 N ATOM 0 H LYS A 28 8.544 -0.378 -4.994 1.00 0.00 H new ATOM 0 HA LYS A 28 10.272 1.716 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.368 -0.347 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.612 0.875 -6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.838 -0.926 -3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.984 -1.459 -5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.592 0.193 -4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.410 1.159 -3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.128 -1.653 -2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.080 -0.264 -2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.558 -0.410 -0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.778 0.703 -1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.294 -0.925 -1.602 1.00 0.00 H new ATOM 404 N GLU A 29 8.505 2.089 -6.978 1.00 0.00 N ATOM 405 CA GLU A 29 8.139 3.061 -7.989 1.00 0.00 C ATOM 406 C GLU A 29 7.374 4.214 -7.388 1.00 0.00 C ATOM 407 O GLU A 29 7.478 5.338 -7.876 1.00 0.00 O ATOM 408 CB GLU A 29 7.357 2.473 -9.194 1.00 0.00 C ATOM 409 CG GLU A 29 6.008 1.840 -8.829 1.00 0.00 C ATOM 410 CD GLU A 29 5.393 1.128 -10.031 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.026 0.168 -10.544 1.00 0.00 O ATOM 412 OE2 GLU A 29 4.274 1.530 -10.445 1.00 0.00 O ATOM 0 H GLU A 29 7.959 1.228 -7.001 1.00 0.00 H new ATOM 0 HA GLU A 29 9.088 3.418 -8.389 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.187 3.266 -9.922 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.977 1.721 -9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.144 1.131 -8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.326 2.611 -8.471 1.00 0.00 H new ATOM 419 N LYS A 30 6.590 3.980 -6.305 1.00 0.00 N ATOM 420 CA LYS A 30 5.872 5.048 -5.641 1.00 0.00 C ATOM 421 C LYS A 30 6.742 5.730 -4.614 1.00 0.00 C ATOM 422 O LYS A 30 6.447 6.852 -4.206 1.00 0.00 O ATOM 423 CB LYS A 30 4.559 4.579 -4.971 1.00 0.00 C ATOM 424 CG LYS A 30 3.430 4.213 -5.954 1.00 0.00 C ATOM 425 CD LYS A 30 3.032 5.360 -6.904 1.00 0.00 C ATOM 426 CE LYS A 30 1.640 5.214 -7.544 1.00 0.00 C ATOM 427 NZ LYS A 30 1.469 3.915 -8.238 1.00 0.00 N ATOM 0 H LYS A 30 6.453 3.058 -5.890 1.00 0.00 H new ATOM 0 HA LYS A 30 5.604 5.754 -6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.775 3.711 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.204 5.368 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.743 3.355 -6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.553 3.904 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.066 6.299 -6.351 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.776 5.430 -7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.876 5.314 -6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.483 6.026 -8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.516 3.865 -8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.179 3.828 -8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.591 3.139 -7.557 1.00 0.00 H new ATOM 441 N GLY A 31 7.858 5.094 -4.200 1.00 0.00 N ATOM 442 CA GLY A 31 8.908 5.766 -3.468 1.00 0.00 C ATOM 443 C GLY A 31 8.829 5.468 -2.005 1.00 0.00 C ATOM 444 O GLY A 31 8.994 6.354 -1.164 1.00 0.00 O ATOM 0 H GLY A 31 8.039 4.105 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.879 5.454 -3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.833 6.842 -3.626 1.00 0.00 H new ATOM 448 N GLY A 32 8.584 4.191 -1.657 1.00 0.00 N ATOM 449 CA GLY A 32 8.730 3.713 -0.311 1.00 0.00 C ATOM 450 C GLY A 32 10.092 3.122 -0.162 1.00 0.00 C ATOM 451 O GLY A 32 10.620 2.476 -1.069 1.00 0.00 O ATOM 0 H GLY A 32 8.280 3.477 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.592 4.530 0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.967 2.967 -0.090 1.00 0.00 H new ATOM 455 N THR A 33 10.679 3.346 1.031 1.00 0.00 N ATOM 456 CA THR A 33 12.020 3.052 1.450 1.00 0.00 C ATOM 457 C THR A 33 12.197 1.573 1.649 1.00 0.00 C ATOM 458 O THR A 33 13.264 0.997 1.439 1.00 0.00 O ATOM 459 CB THR A 33 12.231 3.760 2.786 1.00 0.00 C ATOM 460 OG1 THR A 33 10.982 3.842 3.484 1.00 0.00 O ATOM 461 CG2 THR A 33 12.725 5.191 2.498 1.00 0.00 C ATOM 0 H THR A 33 10.151 3.783 1.786 1.00 0.00 H new ATOM 0 HA THR A 33 12.734 3.384 0.697 1.00 0.00 H new ATOM 0 HB THR A 33 12.954 3.212 3.390 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.122 4.267 4.356 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.883 5.718 3.439 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.663 5.148 1.944 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.979 5.721 1.906 1.00 0.00 H new ATOM 469 N SER A 34 11.134 0.909 2.107 1.00 0.00 N ATOM 470 CA SER A 34 11.091 -0.504 2.247 1.00 0.00 C ATOM 471 C SER A 34 9.616 -0.662 2.280 1.00 0.00 C ATOM 472 O SER A 34 8.906 0.340 2.441 1.00 0.00 O ATOM 473 CB SER A 34 11.723 -1.020 3.556 1.00 0.00 C ATOM 474 OG SER A 34 13.120 -0.752 3.539 1.00 0.00 O ATOM 0 H SER A 34 10.271 1.372 2.391 1.00 0.00 H new ATOM 0 HA SER A 34 11.640 -1.053 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.258 -0.535 4.414 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.547 -2.091 3.661 1.00 0.00 H new ATOM 0 HG SER A 34 13.338 -0.201 2.759 1.00 0.00 H new ATOM 480 N GLY A 35 9.141 -1.905 2.116 1.00 0.00 N ATOM 481 CA GLY A 35 7.759 -2.218 2.079 1.00 0.00 C ATOM 482 C GLY A 35 7.884 -3.688 2.029 1.00 0.00 C ATOM 483 O GLY A 35 8.987 -4.187 1.786 1.00 0.00 O ATOM 0 H GLY A 35 9.745 -2.719 2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.219 -1.866 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.252 -1.804 1.207 1.00 0.00 H new ATOM 487 N HIS A 36 6.777 -4.399 2.283 1.00 0.00 N ATOM 488 CA HIS A 36 6.751 -5.824 2.353 1.00 0.00 C ATOM 489 C HIS A 36 5.277 -6.021 2.317 1.00 0.00 C ATOM 490 O HIS A 36 4.542 -5.029 2.263 1.00 0.00 O ATOM 491 CB HIS A 36 7.383 -6.428 3.638 1.00 0.00 C ATOM 492 CG HIS A 36 7.153 -5.632 4.897 1.00 0.00 C ATOM 493 ND1 HIS A 36 5.987 -5.664 5.615 1.00 0.00 N ATOM 494 CD2 HIS A 36 7.994 -4.793 5.548 1.00 0.00 C ATOM 495 CE1 HIS A 36 6.123 -4.873 6.670 1.00 0.00 C ATOM 496 NE2 HIS A 36 7.332 -4.331 6.653 1.00 0.00 N ATOM 0 H HIS A 36 5.867 -3.968 2.446 1.00 0.00 H new ATOM 0 HA HIS A 36 7.335 -6.317 1.576 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.984 -7.432 3.783 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.457 -6.531 3.482 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.155 -6.205 5.378 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.000 -4.536 5.250 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.369 -4.698 7.423 1.00 0.00 H new ATOM 505 N CYS A 37 4.798 -7.281 2.343 1.00 0.00 N ATOM 506 CA CYS A 37 3.384 -7.563 2.405 1.00 0.00 C ATOM 507 C CYS A 37 2.910 -7.392 3.814 1.00 0.00 C ATOM 508 O CYS A 37 3.697 -7.415 4.757 1.00 0.00 O ATOM 509 CB CYS A 37 2.999 -9.007 2.007 1.00 0.00 C ATOM 510 SG CYS A 37 3.552 -9.504 0.355 1.00 0.00 S ATOM 0 H CYS A 37 5.389 -8.112 2.321 1.00 0.00 H new ATOM 0 HA CYS A 37 2.926 -6.873 1.696 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.419 -9.696 2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.915 -9.108 2.059 1.00 0.00 H new ATOM 515 N GLY A 38 1.588 -7.235 3.993 1.00 0.00 N ATOM 516 CA GLY A 38 0.993 -7.170 5.282 1.00 0.00 C ATOM 517 C GLY A 38 -0.432 -7.226 4.868 1.00 0.00 C ATOM 518 O GLY A 38 -0.698 -7.355 3.670 1.00 0.00 O ATOM 0 H GLY A 38 0.922 -7.152 3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.281 -8.003 5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.243 -6.254 5.818 1.00 0.00 H new ATOM 522 N PHE A 39 -1.365 -7.120 5.827 1.00 0.00 N ATOM 523 CA PHE A 39 -2.763 -7.042 5.592 1.00 0.00 C ATOM 524 C PHE A 39 -3.136 -6.439 6.916 1.00 0.00 C ATOM 525 O PHE A 39 -2.290 -6.421 7.821 1.00 0.00 O ATOM 526 CB PHE A 39 -3.380 -8.454 5.383 1.00 0.00 C ATOM 527 CG PHE A 39 -4.844 -8.518 5.032 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.581 -7.434 4.515 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.474 -9.770 5.140 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.922 -7.601 4.162 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.811 -9.941 4.772 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.540 -8.852 4.287 1.00 0.00 C ATOM 0 H PHE A 39 -1.127 -7.087 6.818 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.092 -6.498 4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.820 -8.954 4.593 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.225 -9.029 6.296 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.108 -6.471 4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.915 -10.615 5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.487 -6.759 3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.279 -10.910 4.862 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.577 -8.974 4.009 1.00 0.00 H new ATOM 542 N LYS A 40 -4.370 -5.906 7.033 1.00 0.00 N ATOM 543 CA LYS A 40 -4.900 -5.347 8.253 1.00 0.00 C ATOM 544 C LYS A 40 -6.043 -6.186 8.715 1.00 0.00 C ATOM 545 O LYS A 40 -6.554 -5.983 9.812 1.00 0.00 O ATOM 546 CB LYS A 40 -5.465 -3.920 8.038 1.00 0.00 C ATOM 547 CG LYS A 40 -4.389 -2.909 7.624 1.00 0.00 C ATOM 548 CD LYS A 40 -4.909 -1.499 7.289 1.00 0.00 C ATOM 549 CE LYS A 40 -5.552 -0.769 8.478 1.00 0.00 C ATOM 550 NZ LYS A 40 -5.737 0.673 8.186 1.00 0.00 N ATOM 0 H LYS A 40 -5.025 -5.861 6.253 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.083 -5.316 8.974 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.240 -3.953 7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.941 -3.580 8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.660 -2.828 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.861 -3.300 6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.081 -0.898 6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.640 -1.575 6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.516 -1.223 8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.925 -0.886 9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.173 1.140 9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.813 1.109 7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.355 0.783 7.357 1.00 0.00 H new ATOM 564 N VAL A 41 -6.455 -7.121 7.842 1.00 0.00 N ATOM 565 CA VAL A 41 -7.722 -7.809 7.802 1.00 0.00 C ATOM 566 C VAL A 41 -8.754 -6.816 7.301 1.00 0.00 C ATOM 567 O VAL A 41 -8.796 -5.667 7.730 1.00 0.00 O ATOM 568 CB VAL A 41 -8.089 -8.532 9.091 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.434 -9.277 8.957 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.936 -9.505 9.437 1.00 0.00 C ATOM 0 H VAL A 41 -5.843 -7.430 7.087 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.667 -8.647 7.108 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.219 -7.809 9.897 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.665 -9.782 9.895 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.224 -8.563 8.725 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.364 -10.013 8.156 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.173 -10.037 10.358 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.809 -10.222 8.626 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.012 -8.942 9.571 1.00 0.00 H new ATOM 580 N GLY A 42 -9.593 -7.203 6.318 1.00 0.00 N ATOM 581 CA GLY A 42 -10.485 -6.269 5.697 1.00 0.00 C ATOM 582 C GLY A 42 -10.647 -6.748 4.298 1.00 0.00 C ATOM 583 O GLY A 42 -11.339 -7.734 4.073 1.00 0.00 O ATOM 0 H GLY A 42 -9.653 -8.155 5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.444 -6.237 6.215 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.076 -5.259 5.722 1.00 0.00 H new ATOM 587 N HIS A 43 -9.997 -6.058 3.331 1.00 0.00 N ATOM 588 CA HIS A 43 -10.217 -6.246 1.915 1.00 0.00 C ATOM 589 C HIS A 43 -9.705 -7.582 1.410 1.00 0.00 C ATOM 590 O HIS A 43 -10.497 -8.483 1.162 1.00 0.00 O ATOM 591 CB HIS A 43 -9.584 -5.122 1.058 1.00 0.00 C ATOM 592 CG HIS A 43 -10.047 -3.710 1.358 1.00 0.00 C ATOM 593 ND1 HIS A 43 -10.182 -2.763 0.372 1.00 0.00 N ATOM 594 CD2 HIS A 43 -10.112 -3.054 2.540 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.311 -1.571 0.944 1.00 0.00 C ATOM 596 NE2 HIS A 43 -10.277 -1.724 2.260 1.00 0.00 N ATOM 0 H HIS A 43 -9.296 -5.347 3.538 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.301 -6.216 1.802 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.502 -5.162 1.185 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.789 -5.334 0.009 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.046 -3.498 3.522 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.425 -0.632 0.423 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.360 -0.976 2.949 1.00 0.00 H new ATOM 605 N GLY A 44 -8.380 -7.762 1.203 1.00 0.00 N ATOM 606 CA GLY A 44 -7.913 -9.002 0.612 1.00 0.00 C ATOM 607 C GLY A 44 -6.514 -9.272 1.047 1.00 0.00 C ATOM 608 O GLY A 44 -6.200 -10.363 1.513 1.00 0.00 O ATOM 0 H GLY A 44 -7.653 -7.084 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.562 -9.825 0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.960 -8.938 -0.475 1.00 0.00 H new ATOM 612 N LEU A 45 -5.635 -8.268 0.898 1.00 0.00 N ATOM 613 CA LEU A 45 -4.299 -8.276 1.408 1.00 0.00 C ATOM 614 C LEU A 45 -4.130 -6.787 1.390 1.00 0.00 C ATOM 615 O LEU A 45 -5.127 -6.087 1.188 1.00 0.00 O ATOM 616 CB LEU A 45 -3.252 -9.007 0.525 1.00 0.00 C ATOM 617 CG LEU A 45 -2.281 -9.920 1.319 1.00 0.00 C ATOM 618 CD1 LEU A 45 -2.949 -11.217 1.815 1.00 0.00 C ATOM 619 CD2 LEU A 45 -1.051 -10.273 0.470 1.00 0.00 C ATOM 0 H LEU A 45 -5.866 -7.409 0.398 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.151 -8.806 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.776 -9.610 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.671 -8.264 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.976 -9.350 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.221 -11.815 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.783 -10.969 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.317 -11.786 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.383 -10.914 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.369 -10.797 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.526 -9.359 0.192 1.00 0.00 H new ATOM 631 N ALA A 46 -2.899 -6.270 1.557 1.00 0.00 N ATOM 632 CA ALA A 46 -2.578 -4.899 1.298 1.00 0.00 C ATOM 633 C ALA A 46 -1.116 -5.066 1.088 1.00 0.00 C ATOM 634 O ALA A 46 -0.669 -6.210 0.962 1.00 0.00 O ATOM 635 CB ALA A 46 -2.870 -3.933 2.464 1.00 0.00 C ATOM 0 H ALA A 46 -2.104 -6.821 1.881 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.156 -4.449 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.595 -2.919 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.932 -3.965 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.290 -4.231 3.337 1.00 0.00 H new ATOM 641 N CYS A 47 -0.318 -3.978 1.094 1.00 0.00 N ATOM 642 CA CYS A 47 1.094 -4.185 1.355 1.00 0.00 C ATOM 643 C CYS A 47 1.383 -3.132 2.359 1.00 0.00 C ATOM 644 O CYS A 47 0.472 -2.411 2.757 1.00 0.00 O ATOM 645 CB CYS A 47 2.072 -4.048 0.158 1.00 0.00 C ATOM 646 SG CYS A 47 1.243 -4.070 -1.444 1.00 0.00 S ATOM 0 H CYS A 47 -0.613 -3.015 0.931 1.00 0.00 H new ATOM 0 HA CYS A 47 1.257 -5.220 1.657 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.630 -3.117 0.258 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.798 -4.860 0.195 1.00 0.00 H new ATOM 651 N TRP A 48 2.658 -3.007 2.766 1.00 0.00 N ATOM 652 CA TRP A 48 3.143 -1.976 3.642 1.00 0.00 C ATOM 653 C TRP A 48 4.135 -1.233 2.795 1.00 0.00 C ATOM 654 O TRP A 48 4.677 -1.818 1.856 1.00 0.00 O ATOM 655 CB TRP A 48 3.824 -2.596 4.895 1.00 0.00 C ATOM 656 CG TRP A 48 4.462 -1.630 5.880 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.780 -1.293 6.005 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.754 -0.868 6.871 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.934 -0.359 6.999 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.704 -0.064 7.536 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.410 -0.820 7.228 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.330 0.816 8.543 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.031 0.065 8.246 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.974 0.881 8.887 1.00 0.00 C ATOM 0 H TRP A 48 3.390 -3.654 2.472 1.00 0.00 H new ATOM 0 HA TRP A 48 2.352 -1.331 4.024 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.078 -3.183 5.431 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.592 -3.290 4.555 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.583 -1.701 5.409 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.821 0.051 7.292 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.681 -1.446 6.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.062 1.431 9.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.994 0.120 8.542 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.651 1.568 9.655 1.00 0.00 H new ATOM 675 N CYS A 49 4.395 0.060 3.112 1.00 0.00 N ATOM 676 CA CYS A 49 5.490 0.814 2.558 1.00 0.00 C ATOM 677 C CYS A 49 5.834 1.687 3.725 1.00 0.00 C ATOM 678 O CYS A 49 4.928 2.134 4.427 1.00 0.00 O ATOM 679 CB CYS A 49 5.128 1.710 1.353 1.00 0.00 C ATOM 680 SG CYS A 49 5.111 0.785 -0.206 1.00 0.00 S ATOM 0 H CYS A 49 3.828 0.593 3.771 1.00 0.00 H new ATOM 0 HA CYS A 49 6.270 0.161 2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.149 2.160 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.846 2.527 1.281 1.00 0.00 H new ATOM 685 N ASN A 50 7.140 1.918 3.993 1.00 0.00 N ATOM 686 CA ASN A 50 7.572 2.533 5.237 1.00 0.00 C ATOM 687 C ASN A 50 8.042 3.938 4.982 1.00 0.00 C ATOM 688 O ASN A 50 8.919 4.454 5.674 1.00 0.00 O ATOM 689 CB ASN A 50 8.703 1.728 5.936 1.00 0.00 C ATOM 690 CG ASN A 50 8.577 1.845 7.464 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.089 0.890 8.082 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.972 3.005 8.057 1.00 0.00 N ATOM 0 H ASN A 50 7.900 1.683 3.355 1.00 0.00 H new ATOM 0 HA ASN A 50 6.710 2.540 5.905 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.650 0.681 5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.676 2.101 5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.872 3.122 9.065 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.368 3.757 7.493 1.00 0.00 H new ATOM 699 N ALA A 51 7.455 4.579 3.965 1.00 0.00 N ATOM 700 CA ALA A 51 7.564 5.950 3.611 1.00 0.00 C ATOM 701 C ALA A 51 6.708 5.814 2.408 1.00 0.00 C ATOM 702 O ALA A 51 6.666 4.722 1.842 1.00 0.00 O ATOM 703 CB ALA A 51 8.949 6.439 3.148 1.00 0.00 C ATOM 0 H ALA A 51 6.838 4.079 3.324 1.00 0.00 H new ATOM 0 HA ALA A 51 7.334 6.643 4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.898 7.501 2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.676 6.282 3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.255 5.881 2.263 1.00 0.00 H new ATOM 709 N LEU A 52 6.007 6.869 2.012 1.00 0.00 N ATOM 710 CA LEU A 52 5.670 7.132 0.647 1.00 0.00 C ATOM 711 C LEU A 52 5.567 8.606 0.812 1.00 0.00 C ATOM 712 O LEU A 52 5.270 9.034 1.933 1.00 0.00 O ATOM 713 CB LEU A 52 4.310 6.619 0.120 1.00 0.00 C ATOM 714 CG LEU A 52 4.238 5.103 -0.140 1.00 0.00 C ATOM 715 CD1 LEU A 52 2.792 4.617 -0.299 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.089 4.687 -1.352 1.00 0.00 C ATOM 0 H LEU A 52 5.655 7.574 2.659 1.00 0.00 H new ATOM 0 HA LEU A 52 6.363 6.670 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.536 6.885 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.077 7.142 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 52 4.656 4.618 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.787 3.542 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.233 4.833 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.326 5.129 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.010 3.610 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.730 5.203 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.131 4.953 -1.174 1.00 0.00 H new ATOM 728 N PRO A 53 5.807 9.417 -0.197 1.00 0.00 N ATOM 729 CA PRO A 53 5.542 10.838 -0.121 1.00 0.00 C ATOM 730 C PRO A 53 4.057 11.099 -0.115 1.00 0.00 C ATOM 731 O PRO A 53 3.260 10.194 -0.354 1.00 0.00 O ATOM 732 CB PRO A 53 6.171 11.425 -1.395 1.00 0.00 C ATOM 733 CG PRO A 53 7.158 10.361 -1.893 1.00 0.00 C ATOM 734 CD PRO A 53 6.551 9.049 -1.400 1.00 0.00 C ATOM 0 HA PRO A 53 5.949 11.280 0.788 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.410 11.637 -2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.681 12.365 -1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.250 10.377 -2.979 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.157 10.519 -1.486 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.896 8.608 -2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.324 8.313 -1.179 1.00 0.00 H new ATOM 742 N ASP A 54 3.664 12.352 0.139 1.00 0.00 N ATOM 743 CA ASP A 54 2.276 12.733 0.259 1.00 0.00 C ATOM 744 C ASP A 54 1.571 12.935 -1.073 1.00 0.00 C ATOM 745 O ASP A 54 0.499 13.537 -1.121 1.00 0.00 O ATOM 746 CB ASP A 54 2.164 14.068 1.027 1.00 0.00 C ATOM 747 CG ASP A 54 2.776 13.933 2.423 1.00 0.00 C ATOM 748 OD1 ASP A 54 2.202 13.175 3.251 1.00 0.00 O ATOM 749 OD2 ASP A 54 3.828 14.579 2.673 1.00 0.00 O ATOM 0 H ASP A 54 4.315 13.127 0.266 1.00 0.00 H new ATOM 0 HA ASP A 54 1.796 11.905 0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.674 14.857 0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.117 14.361 1.109 1.00 0.00 H new ATOM 754 N ASN A 55 2.128 12.432 -2.200 1.00 0.00 N ATOM 755 CA ASN A 55 1.426 12.428 -3.470 1.00 0.00 C ATOM 756 C ASN A 55 0.827 11.063 -3.674 1.00 0.00 C ATOM 757 O ASN A 55 0.109 10.838 -4.645 1.00 0.00 O ATOM 758 CB ASN A 55 2.307 12.786 -4.708 1.00 0.00 C ATOM 759 CG ASN A 55 3.401 11.739 -4.975 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.344 11.625 -4.187 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.254 10.933 -6.065 1.00 0.00 N ATOM 0 H ASN A 55 3.063 12.027 -2.238 1.00 0.00 H new ATOM 0 HA ASN A 55 0.671 13.212 -3.408 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.671 12.875 -5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.771 13.760 -4.550 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.939 10.201 -6.254 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.459 11.062 -6.691 1.00 0.00 H new ATOM 768 N VAL A 56 1.148 10.120 -2.767 1.00 0.00 N ATOM 769 CA VAL A 56 0.699 8.757 -2.803 1.00 0.00 C ATOM 770 C VAL A 56 -0.232 8.720 -1.625 1.00 0.00 C ATOM 771 O VAL A 56 -0.253 9.665 -0.837 1.00 0.00 O ATOM 772 CB VAL A 56 1.833 7.739 -2.672 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.454 6.481 -3.484 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.158 8.382 -3.153 1.00 0.00 C ATOM 0 H VAL A 56 1.751 10.317 -1.968 1.00 0.00 H new ATOM 0 HA VAL A 56 0.239 8.482 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 56 1.981 7.440 -1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.251 5.742 -3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.528 6.060 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.315 6.752 -4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.968 7.659 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.058 8.684 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.381 9.256 -2.542 1.00 0.00 H new ATOM 784 N GLY A 57 -1.036 7.652 -1.452 1.00 0.00 N ATOM 785 CA GLY A 57 -2.054 7.617 -0.446 1.00 0.00 C ATOM 786 C GLY A 57 -2.111 6.173 -0.114 1.00 0.00 C ATOM 787 O GLY A 57 -1.369 5.384 -0.703 1.00 0.00 O ATOM 0 H GLY A 57 -0.979 6.804 -2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.792 8.225 0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.009 7.988 -0.819 1.00 0.00 H new ATOM 791 N ILE A 58 -2.956 5.804 0.864 1.00 0.00 N ATOM 792 CA ILE A 58 -2.824 4.587 1.604 1.00 0.00 C ATOM 793 C ILE A 58 -4.219 4.316 2.061 1.00 0.00 C ATOM 794 O ILE A 58 -5.143 4.991 1.604 1.00 0.00 O ATOM 795 CB ILE A 58 -1.864 4.709 2.790 1.00 0.00 C ATOM 796 CG1 ILE A 58 -2.085 6.006 3.599 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.415 4.606 2.271 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.107 6.114 4.764 1.00 0.00 C ATOM 0 H ILE A 58 -3.756 6.369 1.149 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.397 3.786 1.001 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.063 3.891 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.968 6.869 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.107 6.030 3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.278 4.692 3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.272 3.644 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.225 5.409 1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.292 7.039 5.310 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.243 5.264 5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.086 6.116 4.383 1.00 0.00 H new ATOM 810 N ILE A 59 -4.396 3.298 2.944 1.00 0.00 N ATOM 811 CA ILE A 59 -5.687 2.832 3.397 1.00 0.00 C ATOM 812 C ILE A 59 -6.286 3.907 4.252 1.00 0.00 C ATOM 813 O ILE A 59 -5.623 4.450 5.136 1.00 0.00 O ATOM 814 CB ILE A 59 -5.680 1.556 4.253 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.532 0.572 3.936 1.00 0.00 C ATOM 816 CG2 ILE A 59 -7.069 0.872 4.179 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.534 -0.074 2.554 1.00 0.00 C ATOM 0 H ILE A 59 -3.616 2.784 3.355 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.243 2.598 2.489 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.481 1.869 5.278 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.588 1.102 4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.552 -0.223 4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.062 -0.033 4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.831 1.555 4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.292 0.612 3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.677 -0.741 2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.453 -0.645 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.474 0.701 1.790 1.00 0.00 H new ATOM 829 N VAL A 60 -7.562 4.217 3.998 1.00 0.00 N ATOM 830 CA VAL A 60 -8.352 5.091 4.811 1.00 0.00 C ATOM 831 C VAL A 60 -9.392 4.146 5.359 1.00 0.00 C ATOM 832 O VAL A 60 -10.168 3.560 4.600 1.00 0.00 O ATOM 833 CB VAL A 60 -8.918 6.223 3.964 1.00 0.00 C ATOM 834 CG1 VAL A 60 -10.049 6.977 4.674 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.757 7.159 3.559 1.00 0.00 C ATOM 0 H VAL A 60 -8.069 3.846 3.195 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.818 5.608 5.608 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.374 5.804 3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.417 7.773 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.862 6.286 4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.673 7.408 5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.144 7.977 2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.287 7.564 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.020 6.597 2.985 1.00 0.00 H new