USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 13 THR OG1 : rot -85:sc= -2.7! USER MOD Set 1.2: A 46 ASN : amide:sc= -0.0231 K(o=-7.3,f=-7.9) USER MOD Set 1.3: A 51 GLN : amide:sc= -4.59! C(o=-7.3!,f=-8.7!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -160:sc= -2.12 USER MOD Single : A 20 SER OG : rot -53:sc= 0.489 USER MOD Single : A 21 LYS NZ :NH3+ 147:sc= -0.265 (180deg=-1.24!) USER MOD Single : A 22 TYR OH : rot 4:sc= 0.423 USER MOD Single : A 28 ASN :FLIP amide:sc= -0.17 F(o=-3.8!,f=-0.17) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc=-0.00681 K(o=-0.0068,f=-1.6!) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.378) USER MOD Single : A 39 ASN : amide:sc= -0.828 K(o=-0.83,f=-2.5!) USER MOD Single : A 41 ASN : amide:sc= -0.0863 X(o=-0.086,f=0) USER MOD Single : A 45 MET CE :methyl -133:sc=-6.19e-05 (180deg=-2.05!) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.578 F(o=-2.6,f=-0.58) USER MOD Single : A 53 LYS NZ :NH3+ -124:sc= 0.628 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.42) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -0.754 13.800 -3.498 1.00 0.00 N ATOM 2 CA ILE A 6 0.322 14.349 -2.625 1.00 0.00 C ATOM 3 C ILE A 6 1.666 13.709 -3.046 1.00 0.00 C ATOM 4 O ILE A 6 1.711 12.530 -3.338 1.00 0.00 O ATOM 5 CB ILE A 6 -0.031 14.015 -1.142 1.00 0.00 C ATOM 6 CG1 ILE A 6 -0.585 15.272 -0.447 1.00 0.00 C ATOM 7 CG2 ILE A 6 1.196 13.501 -0.360 1.00 0.00 C ATOM 8 CD1 ILE A 6 -1.095 14.917 0.951 1.00 0.00 C ATOM 0 HA ILE A 6 0.408 15.431 -2.725 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.781 13.224 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.194 16.031 -0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.394 15.699 -1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.906 13.280 0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.575 12.595 -0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.974 14.264 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.485 15.813 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.888 14.173 0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.276 14.511 1.545 1.00 0.00 H new ATOM 20 N PRO A 7 2.759 14.449 -3.062 1.00 0.00 N ATOM 21 CA PRO A 7 4.075 13.863 -3.437 1.00 0.00 C ATOM 22 C PRO A 7 4.363 12.585 -2.632 1.00 0.00 C ATOM 23 O PRO A 7 4.501 12.611 -1.425 1.00 0.00 O ATOM 24 CB PRO A 7 5.110 14.966 -3.144 1.00 0.00 C ATOM 25 CG PRO A 7 4.337 16.250 -2.981 1.00 0.00 C ATOM 26 CD PRO A 7 2.859 15.888 -2.741 1.00 0.00 C ATOM 0 HA PRO A 7 4.102 13.561 -4.484 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.675 14.737 -2.241 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.830 15.048 -3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.729 16.827 -2.144 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.438 16.871 -3.871 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.568 16.083 -1.709 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.200 16.480 -3.376 1.00 0.00 H new ATOM 34 N ILE A 8 4.429 11.476 -3.315 1.00 0.00 N ATOM 35 CA ILE A 8 4.682 10.156 -2.675 1.00 0.00 C ATOM 36 C ILE A 8 5.593 10.267 -1.425 1.00 0.00 C ATOM 37 O ILE A 8 5.332 9.658 -0.406 1.00 0.00 O ATOM 38 CB ILE A 8 5.336 9.262 -3.741 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.209 7.805 -3.324 1.00 0.00 C ATOM 40 CG2 ILE A 8 6.794 9.644 -3.915 1.00 0.00 C ATOM 41 CD1 ILE A 8 5.905 6.904 -4.348 1.00 0.00 C ATOM 0 H ILE A 8 4.313 11.431 -4.327 1.00 0.00 H new ATOM 0 HA ILE A 8 3.741 9.735 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 8 4.830 9.402 -4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.653 7.660 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.157 7.532 -3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.250 9.006 -4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.862 10.685 -4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.319 9.516 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.809 5.863 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.442 7.038 -5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.961 7.169 -4.407 1.00 0.00 H new ATOM 53 N TRP A 9 6.665 11.013 -1.506 1.00 0.00 N ATOM 54 CA TRP A 9 7.612 11.142 -0.337 1.00 0.00 C ATOM 55 C TRP A 9 7.012 12.049 0.744 1.00 0.00 C ATOM 56 O TRP A 9 7.714 12.502 1.627 1.00 0.00 O ATOM 57 CB TRP A 9 8.942 11.760 -0.831 1.00 0.00 C ATOM 58 CG TRP A 9 8.641 12.594 -2.027 1.00 0.00 C ATOM 59 CD1 TRP A 9 8.090 13.830 -2.006 1.00 0.00 C ATOM 60 CD2 TRP A 9 8.801 12.236 -3.421 1.00 0.00 C ATOM 61 NE1 TRP A 9 7.918 14.257 -3.307 1.00 0.00 N ATOM 62 CE2 TRP A 9 8.333 13.305 -4.215 1.00 0.00 C ATOM 63 CE3 TRP A 9 9.304 11.093 -4.069 1.00 0.00 C ATOM 64 CZ2 TRP A 9 8.353 13.243 -5.603 1.00 0.00 C ATOM 65 CZ3 TRP A 9 9.319 11.025 -5.468 1.00 0.00 C ATOM 66 CH2 TRP A 9 8.843 12.097 -6.231 1.00 0.00 C ATOM 0 H TRP A 9 6.934 11.545 -2.334 1.00 0.00 H new ATOM 0 HA TRP A 9 7.786 10.153 0.087 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.396 12.366 -0.047 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.657 10.977 -1.082 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.829 14.389 -1.119 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.532 15.165 -3.565 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.680 10.265 -3.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 7.993 14.074 -6.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 9.699 10.142 -5.960 1.00 0.00 H new ATOM 0 HH2 TRP A 9 8.855 12.037 -7.309 1.00 0.00 H new ATOM 77 N GLU A 10 5.738 12.337 0.677 1.00 0.00 N ATOM 78 CA GLU A 10 5.109 13.241 1.698 1.00 0.00 C ATOM 79 C GLU A 10 3.846 12.580 2.273 1.00 0.00 C ATOM 80 O GLU A 10 3.385 12.942 3.337 1.00 0.00 O ATOM 81 CB GLU A 10 4.772 14.588 1.009 1.00 0.00 C ATOM 82 CG GLU A 10 5.639 15.746 1.552 1.00 0.00 C ATOM 83 CD GLU A 10 7.137 15.408 1.521 1.00 0.00 C ATOM 84 OE1 GLU A 10 7.602 14.730 2.421 1.00 0.00 O ATOM 85 OE2 GLU A 10 7.802 15.873 0.613 1.00 0.00 O ATOM 0 H GLU A 10 5.102 11.987 -0.040 1.00 0.00 H new ATOM 0 HA GLU A 10 5.794 13.421 2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.924 14.494 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.718 14.821 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.458 16.643 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.340 15.974 2.575 1.00 0.00 H new ATOM 92 N ARG A 11 3.288 11.610 1.600 1.00 0.00 N ATOM 93 CA ARG A 11 2.068 10.942 2.156 1.00 0.00 C ATOM 94 C ARG A 11 2.505 9.897 3.186 1.00 0.00 C ATOM 95 O ARG A 11 3.664 9.544 3.274 1.00 0.00 O ATOM 96 CB ARG A 11 1.236 10.270 1.040 1.00 0.00 C ATOM 97 CG ARG A 11 2.136 9.753 -0.086 1.00 0.00 C ATOM 98 CD ARG A 11 1.265 9.153 -1.197 1.00 0.00 C ATOM 99 NE ARG A 11 0.749 10.254 -2.059 1.00 0.00 N ATOM 100 CZ ARG A 11 0.199 9.982 -3.209 1.00 0.00 C ATOM 101 NH1 ARG A 11 0.083 8.742 -3.600 1.00 0.00 N ATOM 102 NH2 ARG A 11 -0.239 10.949 -3.967 1.00 0.00 N ATOM 0 H ARG A 11 3.615 11.253 0.702 1.00 0.00 H new ATOM 0 HA ARG A 11 1.438 11.696 2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.661 9.444 1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.519 10.985 0.637 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.744 10.566 -0.484 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.824 9.000 0.299 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.847 8.450 -1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.436 8.594 -0.764 1.00 0.00 H new ATOM 0 HE ARG A 11 0.826 11.222 -1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.423 7.986 -3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.347 8.529 -4.500 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.151 11.918 -3.660 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.669 10.737 -4.867 1.00 0.00 H new ATOM 116 N TYR A 12 1.584 9.403 3.969 1.00 0.00 N ATOM 117 CA TYR A 12 1.937 8.382 5.002 1.00 0.00 C ATOM 118 C TYR A 12 1.695 6.981 4.430 1.00 0.00 C ATOM 119 O TYR A 12 2.151 5.993 4.971 1.00 0.00 O ATOM 120 CB TYR A 12 1.066 8.599 6.249 1.00 0.00 C ATOM 121 CG TYR A 12 -0.325 9.029 5.834 1.00 0.00 C ATOM 122 CD1 TYR A 12 -0.551 10.340 5.391 1.00 0.00 C ATOM 123 CD2 TYR A 12 -1.387 8.119 5.894 1.00 0.00 C ATOM 124 CE1 TYR A 12 -1.838 10.738 5.007 1.00 0.00 C ATOM 125 CE2 TYR A 12 -2.674 8.517 5.511 1.00 0.00 C ATOM 126 CZ TYR A 12 -2.899 9.826 5.067 1.00 0.00 C ATOM 127 OH TYR A 12 -4.168 10.218 4.691 1.00 0.00 O ATOM 0 H TYR A 12 0.598 9.663 3.939 1.00 0.00 H new ATOM 0 HA TYR A 12 2.987 8.480 5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.014 7.679 6.832 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.515 9.358 6.890 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.267 11.043 5.346 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.214 7.109 6.236 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.012 11.748 4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.493 7.814 5.558 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.786 9.465 4.792 1.00 0.00 H new ATOM 137 N THR A 13 0.985 6.892 3.334 1.00 0.00 N ATOM 138 CA THR A 13 0.705 5.563 2.706 1.00 0.00 C ATOM 139 C THR A 13 0.835 5.704 1.185 1.00 0.00 C ATOM 140 O THR A 13 0.784 6.795 0.659 1.00 0.00 O ATOM 141 CB THR A 13 -0.722 5.125 3.067 1.00 0.00 C ATOM 142 OG1 THR A 13 -1.593 6.236 2.924 1.00 0.00 O ATOM 143 CG2 THR A 13 -0.795 4.618 4.522 1.00 0.00 C ATOM 0 H THR A 13 0.583 7.690 2.842 1.00 0.00 H new ATOM 0 HA THR A 13 1.411 4.816 3.069 1.00 0.00 H new ATOM 0 HB THR A 13 -1.016 4.314 2.401 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.586 6.766 3.749 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.817 4.314 4.751 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.127 3.765 4.644 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.493 5.416 5.201 1.00 0.00 H new ATOM 151 N LEU A 14 1.018 4.612 0.477 1.00 0.00 N ATOM 152 CA LEU A 14 1.171 4.681 -1.018 1.00 0.00 C ATOM 153 C LEU A 14 -0.035 4.031 -1.704 1.00 0.00 C ATOM 154 O LEU A 14 -0.576 3.055 -1.239 1.00 0.00 O ATOM 155 CB LEU A 14 2.460 3.935 -1.424 1.00 0.00 C ATOM 156 CG LEU A 14 3.648 4.901 -1.440 1.00 0.00 C ATOM 157 CD1 LEU A 14 3.992 5.341 -0.013 1.00 0.00 C ATOM 158 CD2 LEU A 14 4.854 4.208 -2.065 1.00 0.00 C ATOM 0 H LEU A 14 1.068 3.672 0.870 1.00 0.00 H new ATOM 0 HA LEU A 14 1.230 5.724 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.653 3.121 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.334 3.486 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 14 3.384 5.781 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.838 6.028 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.131 5.842 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.251 4.467 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.701 4.893 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.110 3.325 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.614 3.909 -3.085 1.00 0.00 H new ATOM 170 N THR A 15 -0.445 4.563 -2.823 1.00 0.00 N ATOM 171 CA THR A 15 -1.604 3.972 -3.546 1.00 0.00 C ATOM 172 C THR A 15 -1.151 2.751 -4.328 1.00 0.00 C ATOM 173 O THR A 15 0.016 2.413 -4.352 1.00 0.00 O ATOM 174 CB THR A 15 -2.178 4.992 -4.523 1.00 0.00 C ATOM 175 OG1 THR A 15 -1.129 5.562 -5.287 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.896 6.086 -3.747 1.00 0.00 C ATOM 0 H THR A 15 -0.027 5.381 -3.267 1.00 0.00 H new ATOM 0 HA THR A 15 -2.364 3.687 -2.819 1.00 0.00 H new ATOM 0 HB THR A 15 -2.883 4.498 -5.192 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.429 6.412 -5.672 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.307 6.816 -4.444 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.705 5.647 -3.163 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.191 6.580 -3.078 1.00 0.00 H new ATOM 184 N ILE A 16 -2.061 2.094 -4.986 1.00 0.00 N ATOM 185 CA ILE A 16 -1.671 0.914 -5.776 1.00 0.00 C ATOM 186 C ILE A 16 -0.674 1.381 -6.840 1.00 0.00 C ATOM 187 O ILE A 16 0.258 0.685 -7.184 1.00 0.00 O ATOM 188 CB ILE A 16 -2.914 0.315 -6.451 1.00 0.00 C ATOM 189 CG1 ILE A 16 -3.769 -0.443 -5.409 1.00 0.00 C ATOM 190 CG2 ILE A 16 -2.486 -0.632 -7.582 1.00 0.00 C ATOM 191 CD1 ILE A 16 -3.241 -1.871 -5.195 1.00 0.00 C ATOM 0 H ILE A 16 -3.054 2.328 -5.007 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.221 0.152 -5.140 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.515 1.120 -6.874 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.759 0.098 -4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.806 -0.481 -5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.371 -1.054 -8.058 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.907 -0.078 -8.321 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.876 -1.437 -7.172 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.861 -2.381 -4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.275 -2.417 -6.138 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.212 -1.829 -4.838 1.00 0.00 H new ATOM 203 N GLU A 17 -0.872 2.563 -7.362 1.00 0.00 N ATOM 204 CA GLU A 17 0.063 3.079 -8.400 1.00 0.00 C ATOM 205 C GLU A 17 1.405 3.407 -7.745 1.00 0.00 C ATOM 206 O GLU A 17 2.444 2.980 -8.206 1.00 0.00 O ATOM 207 CB GLU A 17 -0.518 4.324 -9.090 1.00 0.00 C ATOM 208 CG GLU A 17 -1.054 5.316 -8.057 1.00 0.00 C ATOM 209 CD GLU A 17 -1.715 6.491 -8.780 1.00 0.00 C ATOM 210 OE1 GLU A 17 -1.890 6.398 -9.984 1.00 0.00 O ATOM 211 OE2 GLU A 17 -2.036 7.464 -8.118 1.00 0.00 O ATOM 0 H GLU A 17 -1.638 3.190 -7.115 1.00 0.00 H new ATOM 0 HA GLU A 17 0.207 2.314 -9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.252 4.803 -9.695 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.319 4.029 -9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.775 4.824 -7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.242 5.674 -7.424 1.00 0.00 H new ATOM 218 N GLU A 18 1.404 4.138 -6.658 1.00 0.00 N ATOM 219 CA GLU A 18 2.692 4.441 -5.991 1.00 0.00 C ATOM 220 C GLU A 18 3.260 3.126 -5.459 1.00 0.00 C ATOM 221 O GLU A 18 4.457 2.932 -5.401 1.00 0.00 O ATOM 222 CB GLU A 18 2.474 5.428 -4.832 1.00 0.00 C ATOM 223 CG GLU A 18 1.916 6.769 -5.343 1.00 0.00 C ATOM 224 CD GLU A 18 2.768 7.307 -6.497 1.00 0.00 C ATOM 225 OE1 GLU A 18 2.562 6.865 -7.615 1.00 0.00 O ATOM 226 OE2 GLU A 18 3.610 8.151 -6.243 1.00 0.00 O ATOM 0 H GLU A 18 0.574 4.531 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 18 3.384 4.900 -6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.784 4.996 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.417 5.597 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.886 6.637 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.897 7.494 -4.530 1.00 0.00 H new ATOM 233 N ALA A 19 2.404 2.210 -5.084 1.00 0.00 N ATOM 234 CA ALA A 19 2.894 0.898 -4.577 1.00 0.00 C ATOM 235 C ALA A 19 3.526 0.119 -5.731 1.00 0.00 C ATOM 236 O ALA A 19 4.645 -0.325 -5.653 1.00 0.00 O ATOM 237 CB ALA A 19 1.732 0.087 -4.004 1.00 0.00 C ATOM 0 H ALA A 19 1.390 2.316 -5.108 1.00 0.00 H new ATOM 0 HA ALA A 19 3.630 1.071 -3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.103 -0.870 -3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.274 0.638 -3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.990 -0.086 -4.783 1.00 0.00 H new ATOM 243 N SER A 20 2.817 -0.062 -6.806 1.00 0.00 N ATOM 244 CA SER A 20 3.402 -0.821 -7.942 1.00 0.00 C ATOM 245 C SER A 20 4.767 -0.222 -8.306 1.00 0.00 C ATOM 246 O SER A 20 5.699 -0.926 -8.619 1.00 0.00 O ATOM 247 CB SER A 20 2.458 -0.752 -9.137 1.00 0.00 C ATOM 248 OG SER A 20 2.613 0.501 -9.791 1.00 0.00 O ATOM 0 H SER A 20 1.866 0.279 -6.948 1.00 0.00 H new ATOM 0 HA SER A 20 3.538 -1.865 -7.659 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.672 -1.565 -9.830 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.427 -0.877 -8.807 1.00 0.00 H new ATOM 0 HG SER A 20 2.514 1.225 -9.138 1.00 0.00 H new ATOM 254 N LYS A 21 4.903 1.071 -8.259 1.00 0.00 N ATOM 255 CA LYS A 21 6.224 1.686 -8.583 1.00 0.00 C ATOM 256 C LYS A 21 7.172 1.506 -7.388 1.00 0.00 C ATOM 257 O LYS A 21 8.226 0.913 -7.487 1.00 0.00 O ATOM 258 CB LYS A 21 6.034 3.176 -8.865 1.00 0.00 C ATOM 259 CG LYS A 21 7.333 3.761 -9.430 1.00 0.00 C ATOM 260 CD LYS A 21 7.169 5.272 -9.683 1.00 0.00 C ATOM 261 CE LYS A 21 7.459 6.055 -8.398 1.00 0.00 C ATOM 262 NZ LYS A 21 8.867 5.807 -7.976 1.00 0.00 N ATOM 0 H LYS A 21 4.163 1.729 -8.012 1.00 0.00 H new ATOM 0 HA LYS A 21 6.649 1.202 -9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.219 3.321 -9.574 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.756 3.697 -7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.152 3.588 -8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.594 3.255 -10.360 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.847 5.592 -10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.156 5.483 -10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.300 7.120 -8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.772 5.749 -7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.248 6.660 -7.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.893 5.014 -7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.443 5.574 -8.810 1.00 0.00 H new ATOM 276 N TYR A 22 6.784 2.035 -6.265 1.00 0.00 N ATOM 277 CA TYR A 22 7.610 1.943 -5.018 1.00 0.00 C ATOM 278 C TYR A 22 7.649 0.490 -4.512 1.00 0.00 C ATOM 279 O TYR A 22 8.693 -0.122 -4.404 1.00 0.00 O ATOM 280 CB TYR A 22 6.925 2.832 -3.971 1.00 0.00 C ATOM 281 CG TYR A 22 7.893 3.289 -2.905 1.00 0.00 C ATOM 282 CD1 TYR A 22 8.181 2.458 -1.817 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.469 4.562 -2.986 1.00 0.00 C ATOM 284 CE1 TYR A 22 9.047 2.897 -0.811 1.00 0.00 C ATOM 285 CE2 TYR A 22 9.339 5.003 -1.983 1.00 0.00 C ATOM 286 CZ TYR A 22 9.628 4.170 -0.893 1.00 0.00 C ATOM 287 OH TYR A 22 10.484 4.604 0.098 1.00 0.00 O ATOM 0 H TYR A 22 5.906 2.542 -6.150 1.00 0.00 H new ATOM 0 HA TYR A 22 8.635 2.263 -5.206 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.488 3.701 -4.462 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.106 2.282 -3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.734 1.477 -1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.242 5.205 -3.824 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.268 2.255 0.029 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.787 5.983 -2.048 1.00 0.00 H new ATOM 0 HH TYR A 22 10.632 3.881 0.742 1.00 0.00 H new ATOM 297 N PHE A 23 6.498 -0.053 -4.216 1.00 0.00 N ATOM 298 CA PHE A 23 6.388 -1.459 -3.726 1.00 0.00 C ATOM 299 C PHE A 23 6.094 -2.368 -4.911 1.00 0.00 C ATOM 300 O PHE A 23 5.004 -2.876 -5.049 1.00 0.00 O ATOM 301 CB PHE A 23 5.239 -1.567 -2.715 1.00 0.00 C ATOM 302 CG PHE A 23 5.685 -1.031 -1.384 1.00 0.00 C ATOM 303 CD1 PHE A 23 5.525 0.323 -1.088 1.00 0.00 C ATOM 304 CD2 PHE A 23 6.264 -1.893 -0.450 1.00 0.00 C ATOM 305 CE1 PHE A 23 5.946 0.823 0.149 1.00 0.00 C ATOM 306 CE2 PHE A 23 6.686 -1.401 0.786 1.00 0.00 C ATOM 307 CZ PHE A 23 6.528 -0.041 1.088 1.00 0.00 C ATOM 0 H PHE A 23 5.605 0.433 -4.296 1.00 0.00 H new ATOM 0 HA PHE A 23 7.321 -1.753 -3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.374 -1.008 -3.072 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.927 -2.607 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.076 0.985 -1.814 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.385 -2.940 -0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.823 1.871 0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.134 -2.067 1.509 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.855 0.341 2.044 1.00 0.00 H new ATOM 317 N ARG A 24 7.037 -2.540 -5.786 1.00 0.00 N ATOM 318 CA ARG A 24 6.799 -3.396 -6.983 1.00 0.00 C ATOM 319 C ARG A 24 6.264 -4.767 -6.574 1.00 0.00 C ATOM 320 O ARG A 24 6.988 -5.741 -6.506 1.00 0.00 O ATOM 321 CB ARG A 24 8.106 -3.551 -7.759 1.00 0.00 C ATOM 322 CG ARG A 24 8.457 -2.212 -8.441 1.00 0.00 C ATOM 323 CD ARG A 24 7.781 -2.113 -9.817 1.00 0.00 C ATOM 324 NE ARG A 24 8.654 -2.752 -10.842 1.00 0.00 N ATOM 325 CZ ARG A 24 8.171 -3.055 -12.016 1.00 0.00 C ATOM 326 NH1 ARG A 24 6.920 -2.805 -12.292 1.00 0.00 N ATOM 327 NH2 ARG A 24 8.940 -3.610 -12.912 1.00 0.00 N ATOM 0 H ARG A 24 7.967 -2.125 -5.728 1.00 0.00 H new ATOM 0 HA ARG A 24 6.051 -2.918 -7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.909 -3.850 -7.085 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.007 -4.338 -8.507 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.136 -1.382 -7.812 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.538 -2.127 -8.554 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.809 -2.605 -9.793 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.604 -1.069 -10.074 1.00 0.00 H new ATOM 0 HE ARG A 24 9.630 -2.953 -10.626 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.319 -2.373 -11.590 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.543 -3.042 -13.210 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.917 -3.806 -12.694 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.564 -3.848 -13.830 1.00 0.00 H new ATOM 341 N ILE A 25 4.983 -4.839 -6.330 1.00 0.00 N ATOM 342 CA ILE A 25 4.330 -6.126 -5.949 1.00 0.00 C ATOM 343 C ILE A 25 3.253 -6.420 -6.992 1.00 0.00 C ATOM 344 O ILE A 25 2.867 -5.553 -7.750 1.00 0.00 O ATOM 345 CB ILE A 25 3.659 -5.983 -4.574 1.00 0.00 C ATOM 346 CG1 ILE A 25 4.697 -5.662 -3.485 1.00 0.00 C ATOM 347 CG2 ILE A 25 2.923 -7.278 -4.221 1.00 0.00 C ATOM 348 CD1 ILE A 25 5.849 -6.667 -3.511 1.00 0.00 C ATOM 0 H ILE A 25 4.348 -4.042 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 25 5.069 -6.926 -5.904 1.00 0.00 H new ATOM 0 HB ILE A 25 2.947 -5.159 -4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.085 -4.655 -3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.218 -5.678 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.449 -7.173 -3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.162 -7.481 -4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.634 -8.104 -4.191 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.568 -6.416 -2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.460 -7.670 -3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.341 -6.631 -4.483 1.00 0.00 H new ATOM 360 N GLY A 26 2.753 -7.622 -7.041 1.00 0.00 N ATOM 361 CA GLY A 26 1.694 -7.931 -8.042 1.00 0.00 C ATOM 362 C GLY A 26 0.600 -6.865 -7.955 1.00 0.00 C ATOM 363 O GLY A 26 -0.138 -6.801 -6.992 1.00 0.00 O ATOM 0 H GLY A 26 3.028 -8.398 -6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.119 -7.953 -9.045 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.273 -8.919 -7.852 1.00 0.00 H new ATOM 367 N GLU A 27 0.492 -6.023 -8.952 1.00 0.00 N ATOM 368 CA GLU A 27 -0.553 -4.955 -8.928 1.00 0.00 C ATOM 369 C GLU A 27 -1.882 -5.563 -8.468 1.00 0.00 C ATOM 370 O GLU A 27 -2.534 -5.066 -7.571 1.00 0.00 O ATOM 371 CB GLU A 27 -0.724 -4.389 -10.341 1.00 0.00 C ATOM 372 CG GLU A 27 0.446 -3.461 -10.672 1.00 0.00 C ATOM 373 CD GLU A 27 1.737 -4.277 -10.760 1.00 0.00 C ATOM 374 OE1 GLU A 27 1.730 -5.287 -11.445 1.00 0.00 O ATOM 375 OE2 GLU A 27 2.710 -3.879 -10.142 1.00 0.00 O ATOM 0 H GLU A 27 1.084 -6.029 -9.783 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.253 -4.161 -8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.771 -5.202 -11.065 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.665 -3.843 -10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.262 -2.949 -11.617 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.541 -2.691 -9.906 1.00 0.00 H new ATOM 382 N ASN A 28 -2.277 -6.643 -9.082 1.00 0.00 N ATOM 383 CA ASN A 28 -3.553 -7.309 -8.701 1.00 0.00 C ATOM 384 C ASN A 28 -3.441 -7.887 -7.288 1.00 0.00 C ATOM 385 O ASN A 28 -4.426 -8.037 -6.593 1.00 0.00 O ATOM 386 CB ASN A 28 -3.838 -8.444 -9.682 1.00 0.00 C ATOM 387 CG ASN A 28 -3.932 -7.883 -11.102 1.00 0.00 C ATOM 388 OD1 ASN A 28 -2.893 -7.293 -11.627 1.00 0.00 O flip ATOM 389 ND2 ASN A 28 -4.961 -7.983 -11.740 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.765 -7.097 -9.839 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.361 -6.577 -8.728 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.048 -9.193 -9.627 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.769 -8.944 -9.415 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.773 -8.444 -11.329 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.013 -7.606 -12.686 1.00 0.00 H new ATOM 396 N LYS A 29 -2.254 -8.217 -6.854 1.00 0.00 N ATOM 397 CA LYS A 29 -2.102 -8.784 -5.487 1.00 0.00 C ATOM 398 C LYS A 29 -2.390 -7.685 -4.473 1.00 0.00 C ATOM 399 O LYS A 29 -3.266 -7.806 -3.642 1.00 0.00 O ATOM 400 CB LYS A 29 -0.669 -9.284 -5.302 1.00 0.00 C ATOM 401 CG LYS A 29 -0.546 -10.062 -3.986 1.00 0.00 C ATOM 402 CD LYS A 29 0.913 -10.055 -3.531 1.00 0.00 C ATOM 403 CE LYS A 29 1.097 -11.049 -2.387 1.00 0.00 C ATOM 404 NZ LYS A 29 2.548 -11.199 -2.083 1.00 0.00 N ATOM 0 H LYS A 29 -1.389 -8.118 -7.385 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.794 -9.615 -5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.388 -9.924 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.021 -8.440 -5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.179 -9.610 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.892 -11.087 -4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.565 -10.318 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.199 -9.054 -3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.564 -10.703 -1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.670 -12.015 -2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.671 -11.876 -1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.045 -11.548 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.942 -10.277 -1.806 1.00 0.00 H new ATOM 418 N LEU A 30 -1.658 -6.609 -4.547 1.00 0.00 N ATOM 419 CA LEU A 30 -1.878 -5.473 -3.601 1.00 0.00 C ATOM 420 C LEU A 30 -3.379 -5.212 -3.447 1.00 0.00 C ATOM 421 O LEU A 30 -3.912 -5.201 -2.356 1.00 0.00 O ATOM 422 CB LEU A 30 -1.224 -4.208 -4.168 1.00 0.00 C ATOM 423 CG LEU A 30 0.312 -4.300 -4.095 1.00 0.00 C ATOM 424 CD1 LEU A 30 0.934 -3.316 -5.105 1.00 0.00 C ATOM 425 CD2 LEU A 30 0.798 -3.950 -2.678 1.00 0.00 C ATOM 0 H LEU A 30 -0.911 -6.464 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.443 -5.726 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.535 -4.067 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.567 -3.336 -3.611 1.00 0.00 H new ATOM 0 HG LEU A 30 0.617 -5.318 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.021 -3.381 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.602 -3.570 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.619 -2.300 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.885 -4.019 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.489 -2.935 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.364 -4.648 -1.962 1.00 0.00 H new ATOM 437 N ARG A 31 -4.056 -4.993 -4.537 1.00 0.00 N ATOM 438 CA ARG A 31 -5.518 -4.721 -4.473 1.00 0.00 C ATOM 439 C ARG A 31 -6.232 -5.857 -3.732 1.00 0.00 C ATOM 440 O ARG A 31 -6.901 -5.639 -2.743 1.00 0.00 O ATOM 441 CB ARG A 31 -6.066 -4.615 -5.898 1.00 0.00 C ATOM 442 CG ARG A 31 -7.445 -3.953 -5.876 1.00 0.00 C ATOM 443 CD ARG A 31 -8.088 -4.079 -7.260 1.00 0.00 C ATOM 444 NE ARG A 31 -7.037 -3.953 -8.309 1.00 0.00 N ATOM 445 CZ ARG A 31 -7.288 -4.333 -9.532 1.00 0.00 C ATOM 446 NH1 ARG A 31 -8.452 -4.842 -9.831 1.00 0.00 N ATOM 447 NH2 ARG A 31 -6.373 -4.209 -10.455 1.00 0.00 N ATOM 0 H ARG A 31 -3.657 -4.991 -5.476 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.691 -3.788 -3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.383 -4.033 -6.517 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.136 -5.607 -6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.077 -4.426 -5.124 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.353 -2.903 -5.599 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.595 -5.040 -7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.844 -3.306 -7.393 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.122 -3.570 -8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.165 -4.943 -9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.648 -5.139 -10.787 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.462 -3.815 -10.220 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.569 -4.506 -11.411 1.00 0.00 H new ATOM 461 N ARG A 32 -6.107 -7.062 -4.214 1.00 0.00 N ATOM 462 CA ARG A 32 -6.793 -8.211 -3.553 1.00 0.00 C ATOM 463 C ARG A 32 -6.307 -8.376 -2.110 1.00 0.00 C ATOM 464 O ARG A 32 -7.017 -8.884 -1.268 1.00 0.00 O ATOM 465 CB ARG A 32 -6.502 -9.497 -4.336 1.00 0.00 C ATOM 466 CG ARG A 32 -7.037 -9.377 -5.777 1.00 0.00 C ATOM 467 CD ARG A 32 -8.513 -9.792 -5.833 1.00 0.00 C ATOM 468 NE ARG A 32 -9.115 -9.310 -7.108 1.00 0.00 N ATOM 469 CZ ARG A 32 -10.266 -9.778 -7.501 1.00 0.00 C ATOM 470 NH1 ARG A 32 -10.892 -10.662 -6.773 1.00 0.00 N ATOM 471 NH2 ARG A 32 -10.793 -9.363 -8.620 1.00 0.00 N ATOM 0 H ARG A 32 -5.558 -7.303 -5.039 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.865 -8.015 -3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.429 -9.685 -4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.967 -10.348 -3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.927 -8.351 -6.129 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.449 -10.008 -6.444 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.600 -10.876 -5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.052 -9.374 -4.983 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.627 -8.615 -7.672 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.480 -10.986 -5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.793 -11.029 -7.079 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.304 -8.671 -9.188 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.694 -9.730 -8.926 1.00 0.00 H new ATOM 485 N LEU A 33 -5.110 -7.965 -1.809 1.00 0.00 N ATOM 486 CA LEU A 33 -4.616 -8.123 -0.415 1.00 0.00 C ATOM 487 C LEU A 33 -5.481 -7.279 0.531 1.00 0.00 C ATOM 488 O LEU A 33 -5.747 -7.660 1.654 1.00 0.00 O ATOM 489 CB LEU A 33 -3.147 -7.666 -0.345 1.00 0.00 C ATOM 490 CG LEU A 33 -2.423 -8.367 0.823 1.00 0.00 C ATOM 491 CD1 LEU A 33 -1.923 -9.751 0.379 1.00 0.00 C ATOM 492 CD2 LEU A 33 -1.224 -7.521 1.274 1.00 0.00 C ATOM 0 H LEU A 33 -4.457 -7.530 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.680 -9.168 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.643 -7.895 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.101 -6.585 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.123 -8.483 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.413 -10.238 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.770 -10.361 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.230 -9.637 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.716 -8.020 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.531 -7.399 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.573 -6.542 1.602 1.00 0.00 H new ATOM 504 N ALA A 34 -5.913 -6.132 0.083 1.00 0.00 N ATOM 505 CA ALA A 34 -6.755 -5.244 0.944 1.00 0.00 C ATOM 506 C ALA A 34 -8.243 -5.502 0.684 1.00 0.00 C ATOM 507 O ALA A 34 -9.024 -5.669 1.599 1.00 0.00 O ATOM 508 CB ALA A 34 -6.445 -3.789 0.600 1.00 0.00 C ATOM 0 H ALA A 34 -5.719 -5.767 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.534 -5.450 1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.053 -3.131 1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.389 -3.589 0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.671 -3.607 -0.451 1.00 0.00 H new ATOM 514 N GLU A 35 -8.638 -5.505 -0.560 1.00 0.00 N ATOM 515 CA GLU A 35 -10.076 -5.720 -0.904 1.00 0.00 C ATOM 516 C GLU A 35 -10.665 -6.858 -0.054 1.00 0.00 C ATOM 517 O GLU A 35 -11.787 -6.781 0.407 1.00 0.00 O ATOM 518 CB GLU A 35 -10.180 -6.056 -2.413 1.00 0.00 C ATOM 519 CG GLU A 35 -11.234 -5.173 -3.098 1.00 0.00 C ATOM 520 CD GLU A 35 -12.593 -5.380 -2.429 1.00 0.00 C ATOM 521 OE1 GLU A 35 -12.936 -6.521 -2.168 1.00 0.00 O ATOM 522 OE2 GLU A 35 -13.269 -4.393 -2.189 1.00 0.00 O ATOM 0 H GLU A 35 -8.022 -5.367 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.646 -4.815 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.211 -5.910 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.442 -7.107 -2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.942 -4.125 -3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.298 -5.421 -4.157 1.00 0.00 H new ATOM 529 N GLU A 36 -9.924 -7.912 0.152 1.00 0.00 N ATOM 530 CA GLU A 36 -10.452 -9.049 0.966 1.00 0.00 C ATOM 531 C GLU A 36 -10.239 -8.759 2.446 1.00 0.00 C ATOM 532 O GLU A 36 -11.114 -8.963 3.265 1.00 0.00 O ATOM 533 CB GLU A 36 -9.710 -10.335 0.602 1.00 0.00 C ATOM 534 CG GLU A 36 -9.690 -10.498 -0.915 1.00 0.00 C ATOM 535 CD GLU A 36 -8.892 -11.750 -1.284 1.00 0.00 C ATOM 536 OE1 GLU A 36 -8.909 -12.690 -0.507 1.00 0.00 O ATOM 537 OE2 GLU A 36 -8.276 -11.747 -2.337 1.00 0.00 O ATOM 0 H GLU A 36 -8.977 -8.037 -0.206 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.516 -9.168 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.691 -10.302 0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.198 -11.193 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.708 -10.577 -1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.243 -9.619 -1.380 1.00 0.00 H new ATOM 544 N ASN A 37 -9.076 -8.287 2.795 1.00 0.00 N ATOM 545 CA ASN A 37 -8.783 -7.980 4.228 1.00 0.00 C ATOM 546 C ASN A 37 -8.991 -6.487 4.478 1.00 0.00 C ATOM 547 O ASN A 37 -8.190 -5.837 5.117 1.00 0.00 O ATOM 548 CB ASN A 37 -7.331 -8.350 4.539 1.00 0.00 C ATOM 549 CG ASN A 37 -7.159 -9.867 4.437 1.00 0.00 C ATOM 550 OD1 ASN A 37 -8.119 -10.606 4.539 1.00 0.00 O ATOM 551 ND2 ASN A 37 -5.970 -10.366 4.240 1.00 0.00 N ATOM 0 H ASN A 37 -8.310 -8.099 2.148 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.451 -8.554 4.870 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.659 -7.849 3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.064 -8.009 5.539 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.846 -11.376 4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.165 -9.746 4.154 1.00 0.00 H new ATOM 558 N LYS A 38 -10.064 -5.940 3.977 1.00 0.00 N ATOM 559 CA LYS A 38 -10.331 -4.487 4.187 1.00 0.00 C ATOM 560 C LYS A 38 -10.105 -4.123 5.663 1.00 0.00 C ATOM 561 O LYS A 38 -10.012 -2.964 6.016 1.00 0.00 O ATOM 562 CB LYS A 38 -11.776 -4.144 3.765 1.00 0.00 C ATOM 563 CG LYS A 38 -12.704 -5.341 3.997 1.00 0.00 C ATOM 564 CD LYS A 38 -12.613 -5.808 5.456 1.00 0.00 C ATOM 565 CE LYS A 38 -13.865 -6.607 5.824 1.00 0.00 C ATOM 566 NZ LYS A 38 -14.070 -7.693 4.822 1.00 0.00 N ATOM 0 H LYS A 38 -10.769 -6.436 3.431 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.644 -3.907 3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.132 -3.285 4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.796 -3.860 2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.731 -5.065 3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.430 -6.157 3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.724 -6.423 5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.512 -4.947 6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.758 -7.033 6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.735 -5.951 5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.699 -8.419 5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.501 -7.296 3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.153 -8.122 4.583 1.00 0.00 H new ATOM 580 N ASN A 39 -10.017 -5.102 6.527 1.00 0.00 N ATOM 581 CA ASN A 39 -9.799 -4.819 7.977 1.00 0.00 C ATOM 582 C ASN A 39 -8.310 -4.969 8.295 1.00 0.00 C ATOM 583 O ASN A 39 -7.904 -4.989 9.440 1.00 0.00 O ATOM 584 CB ASN A 39 -10.605 -5.824 8.805 1.00 0.00 C ATOM 585 CG ASN A 39 -12.079 -5.410 8.822 1.00 0.00 C ATOM 586 OD1 ASN A 39 -12.399 -4.253 8.632 1.00 0.00 O ATOM 587 ND2 ASN A 39 -12.996 -6.312 9.043 1.00 0.00 N ATOM 0 H ASN A 39 -10.087 -6.091 6.288 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.122 -3.806 8.216 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.502 -6.824 8.383 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.217 -5.866 9.823 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.981 -6.046 9.056 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.728 -7.283 9.203 1.00 0.00 H new ATOM 594 N ALA A 40 -7.496 -5.075 7.284 1.00 0.00 N ATOM 595 CA ALA A 40 -6.032 -5.226 7.506 1.00 0.00 C ATOM 596 C ALA A 40 -5.523 -4.070 8.375 1.00 0.00 C ATOM 597 O ALA A 40 -6.070 -2.988 8.374 1.00 0.00 O ATOM 598 CB ALA A 40 -5.317 -5.206 6.150 1.00 0.00 C ATOM 0 H ALA A 40 -7.784 -5.063 6.306 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.831 -6.170 8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.243 -5.316 6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.682 -6.028 5.534 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.517 -4.260 5.647 1.00 0.00 H new ATOM 604 N ASN A 41 -4.478 -4.292 9.118 1.00 0.00 N ATOM 605 CA ASN A 41 -3.925 -3.204 9.972 1.00 0.00 C ATOM 606 C ASN A 41 -3.031 -2.285 9.127 1.00 0.00 C ATOM 607 O ASN A 41 -2.695 -1.190 9.533 1.00 0.00 O ATOM 608 CB ASN A 41 -3.097 -3.819 11.102 1.00 0.00 C ATOM 609 CG ASN A 41 -3.983 -4.744 11.938 1.00 0.00 C ATOM 610 OD1 ASN A 41 -4.535 -4.335 12.940 1.00 0.00 O ATOM 611 ND2 ASN A 41 -4.145 -5.984 11.564 1.00 0.00 N ATOM 0 H ASN A 41 -3.981 -5.181 9.172 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.745 -2.622 10.392 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.257 -4.378 10.689 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.679 -3.033 11.730 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.735 -6.609 12.113 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.682 -6.328 10.723 1.00 0.00 H new ATOM 618 N TRP A 42 -2.610 -2.740 7.969 1.00 0.00 N ATOM 619 CA TRP A 42 -1.695 -1.916 7.110 1.00 0.00 C ATOM 620 C TRP A 42 -2.453 -1.201 5.978 1.00 0.00 C ATOM 621 O TRP A 42 -1.916 -0.311 5.350 1.00 0.00 O ATOM 622 CB TRP A 42 -0.645 -2.843 6.488 1.00 0.00 C ATOM 623 CG TRP A 42 -1.334 -4.041 5.921 1.00 0.00 C ATOM 624 CD1 TRP A 42 -1.432 -5.243 6.533 1.00 0.00 C ATOM 625 CD2 TRP A 42 -2.032 -4.172 4.647 1.00 0.00 C ATOM 626 NE1 TRP A 42 -2.154 -6.100 5.723 1.00 0.00 N ATOM 627 CE2 TRP A 42 -2.545 -5.487 4.549 1.00 0.00 C ATOM 628 CE3 TRP A 42 -2.271 -3.286 3.579 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -3.271 -5.909 3.438 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.000 -3.709 2.455 1.00 0.00 C ATOM 631 CH2 TRP A 42 -3.501 -5.017 2.387 1.00 0.00 C ATOM 0 H TRP A 42 -2.861 -3.649 7.580 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.234 -1.155 7.739 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.095 -2.319 5.706 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.083 -3.147 7.240 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.014 -5.493 7.497 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.371 -7.067 5.963 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -1.892 -2.276 3.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.653 -6.918 3.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.175 -3.023 1.639 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.065 -5.335 1.522 1.00 0.00 H new ATOM 642 N LEU A 43 -3.672 -1.581 5.682 1.00 0.00 N ATOM 643 CA LEU A 43 -4.406 -0.915 4.560 1.00 0.00 C ATOM 644 C LEU A 43 -5.231 0.265 5.088 1.00 0.00 C ATOM 645 O LEU A 43 -5.541 0.352 6.259 1.00 0.00 O ATOM 646 CB LEU A 43 -5.298 -1.980 3.872 1.00 0.00 C ATOM 647 CG LEU A 43 -6.772 -1.960 4.363 1.00 0.00 C ATOM 648 CD1 LEU A 43 -6.869 -1.947 5.911 1.00 0.00 C ATOM 649 CD2 LEU A 43 -7.549 -0.758 3.751 1.00 0.00 C ATOM 0 H LEU A 43 -4.187 -2.317 6.164 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.706 -0.508 3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.279 -1.818 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.876 -2.969 4.053 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.237 -2.883 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.917 -1.933 6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.389 -2.839 6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.369 -1.060 6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.578 -0.768 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.070 0.175 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.545 -0.837 2.664 1.00 0.00 H new ATOM 661 N ILE A 44 -5.571 1.185 4.223 1.00 0.00 N ATOM 662 CA ILE A 44 -6.361 2.377 4.640 1.00 0.00 C ATOM 663 C ILE A 44 -7.342 2.724 3.511 1.00 0.00 C ATOM 664 O ILE A 44 -6.952 2.935 2.380 1.00 0.00 O ATOM 665 CB ILE A 44 -5.369 3.537 4.906 1.00 0.00 C ATOM 666 CG1 ILE A 44 -5.044 3.613 6.413 1.00 0.00 C ATOM 667 CG2 ILE A 44 -5.938 4.884 4.437 1.00 0.00 C ATOM 668 CD1 ILE A 44 -3.684 4.280 6.609 1.00 0.00 C ATOM 0 H ILE A 44 -5.330 1.159 3.232 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.934 2.189 5.548 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.460 3.335 4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.816 4.178 6.934 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.035 2.612 6.845 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.215 5.675 4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.139 4.841 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.864 5.094 4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.455 4.333 7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.916 3.696 6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.709 5.287 6.192 1.00 0.00 H new ATOM 680 N MET A 45 -8.613 2.780 3.813 1.00 0.00 N ATOM 681 CA MET A 45 -9.626 3.108 2.765 1.00 0.00 C ATOM 682 C MET A 45 -9.980 4.593 2.834 1.00 0.00 C ATOM 683 O MET A 45 -10.619 5.048 3.762 1.00 0.00 O ATOM 684 CB MET A 45 -10.889 2.275 3.002 1.00 0.00 C ATOM 685 CG MET A 45 -10.574 0.771 2.857 1.00 0.00 C ATOM 686 SD MET A 45 -11.996 -0.075 2.122 1.00 0.00 S ATOM 687 CE MET A 45 -11.680 0.400 0.402 1.00 0.00 C ATOM 0 H MET A 45 -8.995 2.612 4.744 1.00 0.00 H new ATOM 0 HA MET A 45 -9.213 2.881 1.782 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.284 2.476 3.998 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.661 2.562 2.289 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.692 0.632 2.232 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.345 0.341 3.832 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.603 0.760 -0.051 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.930 1.190 0.375 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.316 -0.465 -0.153 1.00 0.00 H new ATOM 697 N ASN A 46 -9.577 5.350 1.849 1.00 0.00 N ATOM 698 CA ASN A 46 -9.891 6.811 1.836 1.00 0.00 C ATOM 699 C ASN A 46 -11.110 7.048 0.945 1.00 0.00 C ATOM 700 O ASN A 46 -10.989 7.462 -0.190 1.00 0.00 O ATOM 701 CB ASN A 46 -8.696 7.581 1.272 1.00 0.00 C ATOM 702 CG ASN A 46 -7.548 7.557 2.283 1.00 0.00 C ATOM 703 OD1 ASN A 46 -7.757 7.768 3.461 1.00 0.00 O ATOM 704 ND2 ASN A 46 -6.336 7.308 1.868 1.00 0.00 N ATOM 0 H ASN A 46 -9.040 5.018 1.047 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.099 7.154 2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.375 7.135 0.331 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.983 8.610 1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.563 7.290 2.533 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.162 7.131 0.879 1.00 0.00 H new ATOM 711 N GLY A 47 -12.283 6.773 1.444 1.00 0.00 N ATOM 712 CA GLY A 47 -13.505 6.967 0.617 1.00 0.00 C ATOM 713 C GLY A 47 -13.658 5.775 -0.314 1.00 0.00 C ATOM 714 O GLY A 47 -14.517 4.935 -0.135 1.00 0.00 O ATOM 0 H GLY A 47 -12.447 6.423 2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.383 7.062 1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.429 7.889 0.041 1.00 0.00 H new ATOM 718 N ASN A 48 -12.829 5.700 -1.315 1.00 0.00 N ATOM 719 CA ASN A 48 -12.917 4.567 -2.275 1.00 0.00 C ATOM 720 C ASN A 48 -11.520 4.214 -2.800 1.00 0.00 C ATOM 721 O ASN A 48 -11.354 3.286 -3.567 1.00 0.00 O ATOM 722 CB ASN A 48 -13.817 4.992 -3.431 1.00 0.00 C ATOM 723 CG ASN A 48 -13.991 3.828 -4.407 1.00 0.00 C ATOM 724 OD1 ASN A 48 -13.821 2.607 -3.982 1.00 0.00 O flip ATOM 725 ND2 ASN A 48 -14.285 4.031 -5.568 1.00 0.00 N flip ATOM 0 H ASN A 48 -12.092 6.377 -1.511 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.330 3.687 -1.781 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.788 5.308 -3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.383 5.849 -3.946 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.418 4.986 -5.901 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.399 3.247 -6.210 1.00 0.00 H new ATOM 732 N ARG A 49 -10.512 4.946 -2.391 1.00 0.00 N ATOM 733 CA ARG A 49 -9.119 4.661 -2.860 1.00 0.00 C ATOM 734 C ARG A 49 -8.350 3.927 -1.758 1.00 0.00 C ATOM 735 O ARG A 49 -8.190 4.424 -0.661 1.00 0.00 O ATOM 736 CB ARG A 49 -8.396 5.979 -3.174 1.00 0.00 C ATOM 737 CG ARG A 49 -9.287 6.899 -4.021 1.00 0.00 C ATOM 738 CD ARG A 49 -9.439 6.327 -5.433 1.00 0.00 C ATOM 739 NE ARG A 49 -8.091 6.061 -6.012 1.00 0.00 N ATOM 740 CZ ARG A 49 -7.974 5.314 -7.076 1.00 0.00 C ATOM 741 NH1 ARG A 49 -9.037 4.801 -7.632 1.00 0.00 N ATOM 742 NH2 ARG A 49 -6.794 5.082 -7.583 1.00 0.00 N ATOM 0 H ARG A 49 -10.595 5.734 -1.748 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.165 4.044 -3.758 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.125 6.481 -2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.468 5.772 -3.707 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.267 7.001 -3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.851 7.897 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.021 5.406 -5.403 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.985 7.029 -6.064 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.261 6.463 -5.577 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.959 4.984 -7.235 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.946 4.217 -8.463 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.964 5.484 -7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.702 4.498 -8.414 1.00 0.00 H new ATOM 756 N ILE A 50 -7.863 2.752 -2.048 1.00 0.00 N ATOM 757 CA ILE A 50 -7.091 1.987 -1.029 1.00 0.00 C ATOM 758 C ILE A 50 -5.646 2.488 -1.027 1.00 0.00 C ATOM 759 O ILE A 50 -5.092 2.779 -2.069 1.00 0.00 O ATOM 760 CB ILE A 50 -7.113 0.501 -1.397 1.00 0.00 C ATOM 761 CG1 ILE A 50 -8.547 -0.026 -1.298 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.216 -0.280 -0.437 1.00 0.00 C ATOM 763 CD1 ILE A 50 -8.626 -1.415 -1.937 1.00 0.00 C ATOM 0 H ILE A 50 -7.967 2.287 -2.950 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.532 2.126 -0.042 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.747 0.375 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.856 -0.076 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.232 0.657 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.234 -1.337 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.195 0.095 -0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.579 -0.155 0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.647 -1.790 -1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.335 -1.350 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.953 -2.095 -1.415 1.00 0.00 H new ATOM 775 N GLN A 51 -5.024 2.596 0.130 1.00 0.00 N ATOM 776 CA GLN A 51 -3.603 3.083 0.186 1.00 0.00 C ATOM 777 C GLN A 51 -2.746 2.103 1.001 1.00 0.00 C ATOM 778 O GLN A 51 -3.179 1.537 1.985 1.00 0.00 O ATOM 779 CB GLN A 51 -3.560 4.505 0.804 1.00 0.00 C ATOM 780 CG GLN A 51 -2.517 5.372 0.068 1.00 0.00 C ATOM 781 CD GLN A 51 -2.559 6.811 0.590 1.00 0.00 C ATOM 782 OE1 GLN A 51 -3.471 7.187 1.300 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.598 7.639 0.264 1.00 0.00 N ATOM 0 H GLN A 51 -5.438 2.369 1.034 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.196 3.134 -0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.544 4.969 0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.310 4.442 1.863 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.520 4.955 0.212 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.716 5.361 -1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.833 7.323 -0.332 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.615 8.600 0.606 1.00 0.00 H new ATOM 792 N ILE A 52 -1.531 1.897 0.564 1.00 0.00 N ATOM 793 CA ILE A 52 -0.603 0.954 1.250 1.00 0.00 C ATOM 794 C ILE A 52 0.253 1.705 2.271 1.00 0.00 C ATOM 795 O ILE A 52 0.700 2.805 2.026 1.00 0.00 O ATOM 796 CB ILE A 52 0.338 0.347 0.206 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.467 -0.198 -0.983 1.00 0.00 C ATOM 798 CG2 ILE A 52 1.157 -0.773 0.843 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.528 -1.193 -0.509 1.00 0.00 C ATOM 0 H ILE A 52 -1.136 2.354 -0.258 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.187 0.183 1.753 1.00 0.00 H new ATOM 0 HB ILE A 52 1.013 1.122 -0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.945 0.626 -1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.204 -0.685 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.826 -1.204 0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.744 -0.370 1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.486 -1.546 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.086 -1.566 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.044 -2.027 -0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.211 -0.696 0.180 1.00 0.00 H new ATOM 811 N LYS A 53 0.517 1.110 3.402 1.00 0.00 N ATOM 812 CA LYS A 53 1.377 1.794 4.407 1.00 0.00 C ATOM 813 C LYS A 53 2.838 1.577 4.008 1.00 0.00 C ATOM 814 O LYS A 53 3.172 0.591 3.387 1.00 0.00 O ATOM 815 CB LYS A 53 1.092 1.219 5.812 1.00 0.00 C ATOM 816 CG LYS A 53 1.166 2.340 6.860 1.00 0.00 C ATOM 817 CD LYS A 53 0.891 1.777 8.267 1.00 0.00 C ATOM 818 CE LYS A 53 -0.618 1.754 8.538 1.00 0.00 C ATOM 819 NZ LYS A 53 -0.875 1.173 9.886 1.00 0.00 N ATOM 0 H LYS A 53 0.177 0.187 3.672 1.00 0.00 H new ATOM 0 HA LYS A 53 1.165 2.863 4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.106 0.755 5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.816 0.439 6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.151 2.807 6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.439 3.117 6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.299 0.770 8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.394 2.388 9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.023 2.764 8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.126 1.165 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.522 0.363 9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.023 0.855 10.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.306 1.895 10.499 1.00 0.00 H new ATOM 833 N ARG A 54 3.704 2.501 4.333 1.00 0.00 N ATOM 834 CA ARG A 54 5.143 2.357 3.946 1.00 0.00 C ATOM 835 C ARG A 54 5.979 1.922 5.157 1.00 0.00 C ATOM 836 O ARG A 54 6.888 1.137 5.036 1.00 0.00 O ATOM 837 CB ARG A 54 5.663 3.706 3.432 1.00 0.00 C ATOM 838 CG ARG A 54 5.097 4.840 4.295 1.00 0.00 C ATOM 839 CD ARG A 54 5.917 6.115 4.075 1.00 0.00 C ATOM 840 NE ARG A 54 6.121 6.331 2.615 1.00 0.00 N ATOM 841 CZ ARG A 54 6.535 7.489 2.179 1.00 0.00 C ATOM 842 NH1 ARG A 54 6.773 8.457 3.022 1.00 0.00 N ATOM 843 NH2 ARG A 54 6.714 7.680 0.900 1.00 0.00 N ATOM 0 H ARG A 54 3.479 3.351 4.850 1.00 0.00 H new ATOM 0 HA ARG A 54 5.228 1.600 3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.752 3.722 3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.371 3.847 2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.053 5.019 4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.123 4.557 5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.402 6.971 4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.880 6.032 4.579 1.00 0.00 H new ATOM 0 HE ARG A 54 5.937 5.574 1.957 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.635 8.308 4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.097 9.362 2.681 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.530 6.924 0.241 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.038 8.586 0.560 1.00 0.00 H new ATOM 857 N LYS A 55 5.704 2.439 6.319 1.00 0.00 N ATOM 858 CA LYS A 55 6.526 2.054 7.505 1.00 0.00 C ATOM 859 C LYS A 55 6.438 0.539 7.761 1.00 0.00 C ATOM 860 O LYS A 55 7.413 -0.172 7.634 1.00 0.00 O ATOM 861 CB LYS A 55 6.043 2.826 8.751 1.00 0.00 C ATOM 862 CG LYS A 55 4.491 2.935 8.774 1.00 0.00 C ATOM 863 CD LYS A 55 4.038 4.381 8.484 1.00 0.00 C ATOM 864 CE LYS A 55 4.339 5.294 9.685 1.00 0.00 C ATOM 865 NZ LYS A 55 3.402 6.453 9.664 1.00 0.00 N ATOM 0 H LYS A 55 4.954 3.105 6.502 1.00 0.00 H new ATOM 0 HA LYS A 55 7.566 2.310 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.389 2.321 9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.481 3.824 8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.064 2.260 8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.114 2.620 9.747 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.549 4.757 7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.970 4.397 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.229 4.739 10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.371 5.644 9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.600 7.075 10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.528 6.986 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.422 6.109 9.724 1.00 0.00 H new ATOM 879 N GLN A 56 5.291 0.038 8.133 1.00 0.00 N ATOM 880 CA GLN A 56 5.172 -1.424 8.411 1.00 0.00 C ATOM 881 C GLN A 56 5.492 -2.230 7.143 1.00 0.00 C ATOM 882 O GLN A 56 5.902 -3.371 7.215 1.00 0.00 O ATOM 883 CB GLN A 56 3.735 -1.734 8.888 1.00 0.00 C ATOM 884 CG GLN A 56 3.659 -1.689 10.421 1.00 0.00 C ATOM 885 CD GLN A 56 4.061 -0.299 10.919 1.00 0.00 C ATOM 886 OE1 GLN A 56 3.227 0.575 11.055 1.00 0.00 O ATOM 887 NE2 GLN A 56 5.312 -0.057 11.202 1.00 0.00 N ATOM 0 H GLN A 56 4.433 0.575 8.256 1.00 0.00 H new ATOM 0 HA GLN A 56 5.882 -1.705 9.189 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.039 -1.011 8.462 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.431 -2.718 8.531 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.647 -1.925 10.751 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.319 -2.444 10.849 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.012 -0.790 11.088 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.590 0.865 11.537 1.00 0.00 H new ATOM 896 N PHE A 57 5.296 -1.659 5.984 1.00 0.00 N ATOM 897 CA PHE A 57 5.577 -2.414 4.724 1.00 0.00 C ATOM 898 C PHE A 57 7.043 -2.209 4.300 1.00 0.00 C ATOM 899 O PHE A 57 7.802 -3.153 4.217 1.00 0.00 O ATOM 900 CB PHE A 57 4.617 -1.918 3.622 1.00 0.00 C ATOM 901 CG PHE A 57 4.254 -3.051 2.670 1.00 0.00 C ATOM 902 CD1 PHE A 57 5.224 -3.973 2.247 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.939 -3.170 2.206 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.878 -5.002 1.369 1.00 0.00 C ATOM 905 CE2 PHE A 57 2.594 -4.202 1.323 1.00 0.00 C ATOM 906 CZ PHE A 57 3.565 -5.118 0.904 1.00 0.00 C ATOM 0 H PHE A 57 4.955 -0.707 5.854 1.00 0.00 H new ATOM 0 HA PHE A 57 5.419 -3.480 4.887 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.712 -1.515 4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 57 5.084 -1.105 3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.240 -3.886 2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.188 -2.464 2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.627 -5.711 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.579 -4.290 0.966 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.301 -5.913 0.223 1.00 0.00 H new ATOM 916 N GLU A 58 7.432 -0.992 4.011 1.00 0.00 N ATOM 917 CA GLU A 58 8.841 -0.718 3.568 1.00 0.00 C ATOM 918 C GLU A 58 9.838 -1.595 4.334 1.00 0.00 C ATOM 919 O GLU A 58 10.862 -1.984 3.810 1.00 0.00 O ATOM 920 CB GLU A 58 9.191 0.754 3.821 1.00 0.00 C ATOM 921 CG GLU A 58 10.580 1.051 3.258 1.00 0.00 C ATOM 922 CD GLU A 58 10.872 2.547 3.380 1.00 0.00 C ATOM 923 OE1 GLU A 58 10.527 3.117 4.403 1.00 0.00 O ATOM 924 OE2 GLU A 58 11.436 3.099 2.449 1.00 0.00 O ATOM 0 H GLU A 58 6.832 -0.169 4.062 1.00 0.00 H new ATOM 0 HA GLU A 58 8.907 -0.945 2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.450 1.401 3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.167 0.966 4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.333 0.478 3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.634 0.743 2.214 1.00 0.00 H new ATOM 931 N LYS A 59 9.556 -1.908 5.568 1.00 0.00 N ATOM 932 CA LYS A 59 10.508 -2.747 6.347 1.00 0.00 C ATOM 933 C LYS A 59 10.516 -4.170 5.809 1.00 0.00 C ATOM 934 O LYS A 59 11.556 -4.783 5.673 1.00 0.00 O ATOM 935 CB LYS A 59 10.073 -2.807 7.811 1.00 0.00 C ATOM 936 CG LYS A 59 10.222 -1.429 8.465 1.00 0.00 C ATOM 937 CD LYS A 59 11.708 -1.015 8.515 1.00 0.00 C ATOM 938 CE LYS A 59 11.958 -0.117 9.729 1.00 0.00 C ATOM 939 NZ LYS A 59 13.345 0.426 9.673 1.00 0.00 N ATOM 0 H LYS A 59 8.714 -1.622 6.068 1.00 0.00 H new ATOM 0 HA LYS A 59 11.500 -2.303 6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.037 -3.138 7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.676 -3.539 8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.651 -0.689 7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.810 -1.452 9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.340 -1.901 8.571 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.979 -0.488 7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.237 0.700 9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.816 -0.684 10.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.513 1.036 10.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.026 -0.360 9.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.465 0.982 8.802 1.00 0.00 H new ATOM 953 N ILE A 60 9.366 -4.721 5.533 1.00 0.00 N ATOM 954 CA ILE A 60 9.321 -6.128 5.045 1.00 0.00 C ATOM 955 C ILE A 60 9.357 -6.192 3.512 1.00 0.00 C ATOM 956 O ILE A 60 8.816 -7.103 2.920 1.00 0.00 O ATOM 957 CB ILE A 60 8.039 -6.794 5.545 1.00 0.00 C ATOM 958 CG1 ILE A 60 6.838 -5.917 5.191 1.00 0.00 C ATOM 959 CG2 ILE A 60 8.113 -6.964 7.063 1.00 0.00 C ATOM 960 CD1 ILE A 60 5.542 -6.690 5.449 1.00 0.00 C ATOM 0 H ILE A 60 8.460 -4.261 5.624 1.00 0.00 H new ATOM 0 HA ILE A 60 10.198 -6.650 5.429 1.00 0.00 H new ATOM 0 HB ILE A 60 7.929 -7.770 5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.853 -5.004 5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.891 -5.616 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.199 -7.439 7.421 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.970 -7.588 7.318 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.222 -5.987 7.534 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.687 -6.062 5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.526 -7.590 4.834 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.488 -6.969 6.501 1.00 0.00 H new ATOM 972 N ILE A 61 9.981 -5.251 2.852 1.00 0.00 N ATOM 973 CA ILE A 61 10.019 -5.315 1.357 1.00 0.00 C ATOM 974 C ILE A 61 11.071 -6.343 0.909 1.00 0.00 C ATOM 975 O ILE A 61 10.828 -7.144 0.029 1.00 0.00 O ATOM 976 CB ILE A 61 10.355 -3.932 0.784 1.00 0.00 C ATOM 977 CG1 ILE A 61 10.450 -4.000 -0.752 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.692 -3.455 1.350 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.153 -4.568 -1.346 1.00 0.00 C ATOM 0 H ILE A 61 10.459 -4.454 3.272 1.00 0.00 H new ATOM 0 HA ILE A 61 9.041 -5.622 0.985 1.00 0.00 H new ATOM 0 HB ILE A 61 9.565 -3.235 1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.636 -3.005 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.294 -4.625 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.930 -2.472 0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 61 11.625 -3.391 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.476 -4.161 1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.238 -4.609 -2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.984 -5.572 -0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.316 -3.927 -1.071 1.00 0.00 H new ATOM 991 N ASP A 62 12.233 -6.333 1.510 1.00 0.00 N ATOM 992 CA ASP A 62 13.291 -7.318 1.120 1.00 0.00 C ATOM 993 C ASP A 62 13.021 -8.649 1.828 1.00 0.00 C ATOM 994 O ASP A 62 13.728 -9.622 1.652 1.00 0.00 O ATOM 995 CB ASP A 62 14.664 -6.783 1.535 1.00 0.00 C ATOM 996 CG ASP A 62 15.754 -7.762 1.092 1.00 0.00 C ATOM 997 OD1 ASP A 62 15.639 -8.291 0.000 1.00 0.00 O ATOM 998 OD2 ASP A 62 16.686 -7.965 1.854 1.00 0.00 O ATOM 0 H ASP A 62 12.497 -5.687 2.254 1.00 0.00 H new ATOM 0 HA ASP A 62 13.276 -7.468 0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.835 -5.805 1.085 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.701 -6.647 2.616 1.00 0.00 H new ATOM 1003 N THR A 63 12.000 -8.681 2.634 1.00 0.00 N ATOM 1004 CA THR A 63 11.640 -9.918 3.388 1.00 0.00 C ATOM 1005 C THR A 63 10.801 -10.826 2.490 1.00 0.00 C ATOM 1006 O THR A 63 10.659 -12.008 2.736 1.00 0.00 O ATOM 1007 CB THR A 63 10.814 -9.476 4.611 1.00 0.00 C ATOM 1008 OG1 THR A 63 11.671 -9.323 5.732 1.00 0.00 O ATOM 1009 CG2 THR A 63 9.701 -10.472 4.957 1.00 0.00 C ATOM 0 H THR A 63 11.385 -7.886 2.808 1.00 0.00 H new ATOM 0 HA THR A 63 12.528 -10.466 3.702 1.00 0.00 H new ATOM 0 HB THR A 63 10.340 -8.528 4.357 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.145 -9.040 6.509 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.149 -10.113 5.826 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.022 -10.567 4.110 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.140 -11.444 5.182 1.00 0.00 H new ATOM 1017 N LEU A 64 10.219 -10.269 1.478 1.00 0.00 N ATOM 1018 CA LEU A 64 9.354 -11.075 0.583 1.00 0.00 C ATOM 1019 C LEU A 64 10.235 -11.907 -0.357 1.00 0.00 C ATOM 1020 O LEU A 64 10.207 -13.121 -0.337 1.00 0.00 O ATOM 1021 CB LEU A 64 8.430 -10.148 -0.238 1.00 0.00 C ATOM 1022 CG LEU A 64 8.107 -8.849 0.526 1.00 0.00 C ATOM 1023 CD1 LEU A 64 7.407 -7.872 -0.407 1.00 0.00 C ATOM 1024 CD2 LEU A 64 7.178 -9.144 1.700 1.00 0.00 C ATOM 0 H LEU A 64 10.304 -9.284 1.228 1.00 0.00 H new ATOM 0 HA LEU A 64 8.734 -11.741 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.908 -9.904 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.504 -10.672 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 64 9.039 -8.421 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.178 -6.953 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.058 -7.644 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.482 -8.317 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.958 -8.218 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.250 -9.579 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.662 -9.846 2.379 1.00 0.00 H new TER 1036 LEU A 64