USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 614 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 52 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 HIS : no HD1:sc= 0 X(o=0,f=0.004) USER MOD Set 1.3: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 41 LYS NZ :NH3+ -179:sc= -0.113 (180deg=-0.0292) USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= -0.0919 USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0043) USER MOD Single : A 8 TYR OH : rot -3:sc= 0.18 USER MOD Single : A 12 LYS NZ :NH3+ -137:sc= 2.45 (180deg=-1.66) USER MOD Single : A 18 ASN : amide:sc= -0.801 K(o=-0.8,f=0) USER MOD Single : A 19 THR OG1 : rot 140:sc= -0.28 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.63) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 32 GLN : amide:sc= -1.02 K(o=-1,f=-6.5!) USER MOD Single : A 38 ASN : amide:sc= 0.00343 K(o=0.0034,f=-1) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= -2.23! C(o=-2.2!,f=-5.7!) USER MOD Single : A 60 LYS NZ :NH3+ -167:sc=-0.00294 (180deg=-0.131) USER MOD Single : A 66 THR OG1 : rot -158:sc= 0.763 USER MOD Single : A 68 LYS NZ :NH3+ -148:sc= 1.21 (180deg=0.406) USER MOD Single : A 71 ASN : amide:sc= 1.13 K(o=1.1,f=-0.16) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 164:sc= -0.0456 (180deg=-0.329) USER MOD Single : A 76 ASN : amide:sc= -5.3! C(o=-5.3!,f=-11!) USER MOD Single : A 78 THR OG1 : rot -45:sc= 0.852 USER MOD Single : A 80 SER OG : rot 180:sc=-0.00839 USER MOD Single : A 81 LYS NZ :NH3+ -114:sc= 2.05 (180deg=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 -11.297 1.505 5.467 1.00 0.00 N ATOM 2 CA LYS A 5 -11.907 2.473 4.568 1.00 0.00 C ATOM 3 C LYS A 5 -10.831 3.214 3.776 1.00 0.00 C ATOM 4 O LYS A 5 -11.013 3.530 2.601 1.00 0.00 O ATOM 5 CB LYS A 5 -12.748 3.479 5.360 1.00 0.00 C ATOM 6 CG LYS A 5 -13.843 2.837 6.199 1.00 0.00 C ATOM 7 CD LYS A 5 -14.538 3.861 7.082 1.00 0.00 C ATOM 8 CE LYS A 5 -15.546 3.210 8.020 1.00 0.00 C ATOM 9 NZ LYS A 5 -16.711 2.640 7.291 1.00 0.00 N ATOM 0 HA LYS A 5 -12.554 1.936 3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.091 4.053 6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.202 4.185 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.574 2.363 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.414 2.051 6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.794 4.401 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.046 4.595 6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.053 2.420 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.897 3.948 8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.385 2.238 7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.179 3.390 6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.385 1.892 6.646 1.00 0.00 H new ATOM 23 N LEU A 6 -9.708 3.496 4.433 1.00 0.00 N ATOM 24 CA LEU A 6 -8.623 4.256 3.817 1.00 0.00 C ATOM 25 C LEU A 6 -7.507 3.340 3.327 1.00 0.00 C ATOM 26 O LEU A 6 -6.817 3.658 2.363 1.00 0.00 O ATOM 27 CB LEU A 6 -8.041 5.283 4.801 1.00 0.00 C ATOM 28 CG LEU A 6 -8.911 6.514 5.093 1.00 0.00 C ATOM 29 CD1 LEU A 6 -9.348 7.182 3.797 1.00 0.00 C ATOM 30 CD2 LEU A 6 -10.117 6.147 5.947 1.00 0.00 C ATOM 0 H LEU A 6 -9.526 3.209 5.395 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.048 4.779 2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.838 4.776 5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.083 5.626 4.411 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.308 7.224 5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.963 8.052 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.468 7.497 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.925 6.476 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.714 7.039 6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -10.724 5.410 5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.778 5.729 6.895 1.00 0.00 H new ATOM 42 N ARG A 7 -7.357 2.192 3.977 1.00 0.00 N ATOM 43 CA ARG A 7 -6.234 1.287 3.722 1.00 0.00 C ATOM 44 C ARG A 7 -6.341 0.709 2.317 1.00 0.00 C ATOM 45 O ARG A 7 -5.343 0.522 1.623 1.00 0.00 O ATOM 46 CB ARG A 7 -6.243 0.167 4.768 1.00 0.00 C ATOM 47 CG ARG A 7 -6.438 0.691 6.182 1.00 0.00 C ATOM 48 CD ARG A 7 -5.243 0.410 7.074 1.00 0.00 C ATOM 49 NE ARG A 7 -5.365 -0.871 7.772 1.00 0.00 N ATOM 50 CZ ARG A 7 -5.505 -0.976 9.097 1.00 0.00 C ATOM 51 NH1 ARG A 7 -5.569 0.120 9.844 1.00 0.00 N ATOM 52 NH2 ARG A 7 -5.587 -2.171 9.674 1.00 0.00 N ATOM 0 H ARG A 7 -8.004 1.860 4.692 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.295 1.836 3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.040 -0.539 4.533 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.304 -0.383 4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.617 1.766 6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.327 0.234 6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.334 0.409 6.472 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.140 1.212 7.805 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.342 -1.728 7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.511 1.040 9.406 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.676 0.042 10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.543 -3.016 9.105 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.694 -2.243 10.686 1.00 0.00 H new ATOM 66 N TYR A 8 -7.576 0.436 1.927 1.00 0.00 N ATOM 67 CA TYR A 8 -7.919 -0.024 0.590 1.00 0.00 C ATOM 68 C TYR A 8 -7.404 0.944 -0.474 1.00 0.00 C ATOM 69 O TYR A 8 -6.755 0.543 -1.441 1.00 0.00 O ATOM 70 CB TYR A 8 -9.442 -0.155 0.500 1.00 0.00 C ATOM 71 CG TYR A 8 -9.972 -0.578 -0.844 1.00 0.00 C ATOM 72 CD1 TYR A 8 -9.342 -1.562 -1.590 1.00 0.00 C ATOM 73 CD2 TYR A 8 -11.119 0.003 -1.357 1.00 0.00 C ATOM 74 CE1 TYR A 8 -9.841 -1.953 -2.813 1.00 0.00 C ATOM 75 CE2 TYR A 8 -11.629 -0.385 -2.574 1.00 0.00 C ATOM 76 CZ TYR A 8 -10.985 -1.367 -3.299 1.00 0.00 C ATOM 77 OH TYR A 8 -11.488 -1.764 -4.512 1.00 0.00 O ATOM 0 H TYR A 8 -8.384 0.530 2.543 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.448 -0.990 0.407 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -9.773 -0.877 1.247 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.889 0.804 0.763 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -8.447 -2.029 -1.207 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.622 0.774 -0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -9.336 -2.716 -3.387 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.527 0.075 -2.959 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.886 -2.423 -4.916 1.00 0.00 H new ATOM 87 N ALA A 9 -7.673 2.227 -0.265 1.00 0.00 N ATOM 88 CA ALA A 9 -7.328 3.252 -1.238 1.00 0.00 C ATOM 89 C ALA A 9 -5.844 3.609 -1.177 1.00 0.00 C ATOM 90 O ALA A 9 -5.302 4.191 -2.117 1.00 0.00 O ATOM 91 CB ALA A 9 -8.198 4.484 -1.028 1.00 0.00 C ATOM 0 H ALA A 9 -8.131 2.582 0.574 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.520 2.854 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.933 5.246 -1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.247 4.214 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.038 4.875 -0.023 1.00 0.00 H new ATOM 97 N ILE A 10 -5.189 3.267 -0.067 1.00 0.00 N ATOM 98 CA ILE A 10 -3.749 3.483 0.073 1.00 0.00 C ATOM 99 C ILE A 10 -2.989 2.744 -1.028 1.00 0.00 C ATOM 100 O ILE A 10 -2.028 3.265 -1.599 1.00 0.00 O ATOM 101 CB ILE A 10 -3.234 3.028 1.461 1.00 0.00 C ATOM 102 CG1 ILE A 10 -3.822 3.918 2.561 1.00 0.00 C ATOM 103 CG2 ILE A 10 -1.713 3.061 1.514 1.00 0.00 C ATOM 104 CD1 ILE A 10 -3.390 3.532 3.960 1.00 0.00 C ATOM 0 H ILE A 10 -5.632 2.840 0.747 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.570 4.554 -0.020 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.558 2.000 1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.530 4.951 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.910 3.879 2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.376 2.737 2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.308 2.393 0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.364 4.077 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.848 4.208 4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.706 2.510 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.305 3.599 4.037 1.00 0.00 H new ATOM 116 N LEU A 11 -3.450 1.539 -1.345 1.00 0.00 N ATOM 117 CA LEU A 11 -2.828 0.726 -2.384 1.00 0.00 C ATOM 118 C LEU A 11 -2.906 1.410 -3.748 1.00 0.00 C ATOM 119 O LEU A 11 -2.020 1.238 -4.584 1.00 0.00 O ATOM 120 CB LEU A 11 -3.496 -0.650 -2.450 1.00 0.00 C ATOM 121 CG LEU A 11 -3.097 -1.633 -1.354 1.00 0.00 C ATOM 122 CD1 LEU A 11 -3.977 -2.871 -1.416 1.00 0.00 C ATOM 123 CD2 LEU A 11 -1.635 -2.020 -1.500 1.00 0.00 C ATOM 0 H LEU A 11 -4.255 1.102 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.776 0.604 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.576 -0.511 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.266 -1.099 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.235 -1.152 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.683 -3.566 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.019 -2.584 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.860 -3.352 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.364 -2.722 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.478 -2.488 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.013 -1.128 -1.422 1.00 0.00 H new ATOM 135 N LYS A 12 -3.958 2.196 -3.963 1.00 0.00 N ATOM 136 CA LYS A 12 -4.144 2.904 -5.227 1.00 0.00 C ATOM 137 C LYS A 12 -3.003 3.898 -5.442 1.00 0.00 C ATOM 138 O LYS A 12 -2.444 3.994 -6.538 1.00 0.00 O ATOM 139 CB LYS A 12 -5.502 3.623 -5.231 1.00 0.00 C ATOM 140 CG LYS A 12 -6.006 4.038 -6.611 1.00 0.00 C ATOM 141 CD LYS A 12 -5.316 5.292 -7.129 1.00 0.00 C ATOM 142 CE LYS A 12 -5.604 6.496 -6.247 1.00 0.00 C ATOM 143 NZ LYS A 12 -4.864 7.698 -6.704 1.00 0.00 N ATOM 0 H LYS A 12 -4.695 2.359 -3.277 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.133 2.185 -6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.244 2.970 -4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.428 4.512 -4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.844 3.221 -7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.081 4.211 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.240 5.123 -7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.650 5.498 -8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.674 6.703 -6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.328 6.268 -5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.465 8.194 -5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.094 7.410 -7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.513 8.334 -7.210 1.00 0.00 H new ATOM 157 N GLU A 13 -2.654 4.621 -4.384 1.00 0.00 N ATOM 158 CA GLU A 13 -1.560 5.585 -4.434 1.00 0.00 C ATOM 159 C GLU A 13 -0.240 4.876 -4.714 1.00 0.00 C ATOM 160 O GLU A 13 0.567 5.330 -5.526 1.00 0.00 O ATOM 161 CB GLU A 13 -1.473 6.348 -3.113 1.00 0.00 C ATOM 162 CG GLU A 13 -2.699 7.193 -2.811 1.00 0.00 C ATOM 163 CD GLU A 13 -2.768 8.447 -3.655 1.00 0.00 C ATOM 164 OE1 GLU A 13 -3.177 8.359 -4.832 1.00 0.00 O ATOM 165 OE2 GLU A 13 -2.415 9.529 -3.143 1.00 0.00 O ATOM 0 H GLU A 13 -3.115 4.557 -3.476 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.755 6.292 -5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.326 5.635 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.595 6.993 -3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.596 6.597 -2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.693 7.470 -1.757 1.00 0.00 H new ATOM 172 N ILE A 14 -0.043 3.745 -4.049 1.00 0.00 N ATOM 173 CA ILE A 14 1.167 2.948 -4.219 1.00 0.00 C ATOM 174 C ILE A 14 1.245 2.371 -5.632 1.00 0.00 C ATOM 175 O ILE A 14 2.326 2.210 -6.190 1.00 0.00 O ATOM 176 CB ILE A 14 1.223 1.797 -3.188 1.00 0.00 C ATOM 177 CG1 ILE A 14 1.162 2.358 -1.765 1.00 0.00 C ATOM 178 CG2 ILE A 14 2.483 0.961 -3.375 1.00 0.00 C ATOM 179 CD1 ILE A 14 1.073 1.294 -0.692 1.00 0.00 C ATOM 0 H ILE A 14 -0.710 3.356 -3.382 1.00 0.00 H new ATOM 0 HA ILE A 14 2.019 3.609 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 14 0.360 1.151 -3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.048 2.968 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.299 3.018 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.499 0.158 -2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.491 0.534 -4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.362 1.593 -3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.034 1.768 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.173 0.699 -0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.949 0.647 -0.747 1.00 0.00 H new ATOM 191 N PHE A 15 0.090 2.082 -6.216 1.00 0.00 N ATOM 192 CA PHE A 15 0.040 1.472 -7.535 1.00 0.00 C ATOM 193 C PHE A 15 0.528 2.435 -8.615 1.00 0.00 C ATOM 194 O PHE A 15 1.390 2.083 -9.422 1.00 0.00 O ATOM 195 CB PHE A 15 -1.386 1.009 -7.851 1.00 0.00 C ATOM 196 CG PHE A 15 -1.502 0.245 -9.139 1.00 0.00 C ATOM 197 CD1 PHE A 15 -1.054 -1.062 -9.221 1.00 0.00 C ATOM 198 CD2 PHE A 15 -2.060 0.832 -10.265 1.00 0.00 C ATOM 199 CE1 PHE A 15 -1.159 -1.770 -10.401 1.00 0.00 C ATOM 200 CE2 PHE A 15 -2.168 0.127 -11.449 1.00 0.00 C ATOM 201 CZ PHE A 15 -1.716 -1.177 -11.515 1.00 0.00 C ATOM 0 H PHE A 15 -0.823 2.260 -5.797 1.00 0.00 H new ATOM 0 HA PHE A 15 0.706 0.609 -7.528 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.744 0.383 -7.034 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.040 1.880 -7.896 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.618 -1.533 -8.352 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.414 1.851 -10.216 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.805 -2.789 -10.452 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.604 0.594 -12.320 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.799 -1.732 -12.438 1.00 0.00 H new ATOM 211 N GLU A 16 -0.001 3.652 -8.619 1.00 0.00 N ATOM 212 CA GLU A 16 0.322 4.610 -9.676 1.00 0.00 C ATOM 213 C GLU A 16 1.567 5.431 -9.338 1.00 0.00 C ATOM 214 O GLU A 16 2.283 5.886 -10.231 1.00 0.00 O ATOM 215 CB GLU A 16 -0.861 5.543 -9.951 1.00 0.00 C ATOM 216 CG GLU A 16 -1.247 6.420 -8.772 1.00 0.00 C ATOM 217 CD GLU A 16 -2.245 7.490 -9.156 1.00 0.00 C ATOM 218 OE1 GLU A 16 -1.832 8.507 -9.751 1.00 0.00 O ATOM 219 OE2 GLU A 16 -3.442 7.323 -8.862 1.00 0.00 O ATOM 0 H GLU A 16 -0.649 3.999 -7.912 1.00 0.00 H new ATOM 0 HA GLU A 16 0.533 4.032 -10.576 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.617 6.181 -10.800 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.723 4.943 -10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.670 5.799 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.353 6.890 -8.363 1.00 0.00 H new ATOM 226 N GLY A 17 1.821 5.631 -8.053 1.00 0.00 N ATOM 227 CA GLY A 17 2.993 6.376 -7.639 1.00 0.00 C ATOM 228 C GLY A 17 4.207 5.483 -7.521 1.00 0.00 C ATOM 229 O GLY A 17 5.342 5.967 -7.450 1.00 0.00 O ATOM 0 H GLY A 17 1.237 5.291 -7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.193 7.170 -8.359 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.799 6.856 -6.680 1.00 0.00 H new ATOM 233 N ASN A 18 3.947 4.176 -7.505 1.00 0.00 N ATOM 234 CA ASN A 18 4.973 3.151 -7.353 1.00 0.00 C ATOM 235 C ASN A 18 5.513 3.181 -5.933 1.00 0.00 C ATOM 236 O ASN A 18 5.080 2.401 -5.093 1.00 0.00 O ATOM 237 CB ASN A 18 6.107 3.326 -8.370 1.00 0.00 C ATOM 238 CG ASN A 18 7.127 2.200 -8.319 1.00 0.00 C ATOM 239 OD1 ASN A 18 8.323 2.430 -8.501 1.00 0.00 O ATOM 240 ND2 ASN A 18 6.667 0.974 -8.110 1.00 0.00 N ATOM 0 H ASN A 18 3.005 3.797 -7.599 1.00 0.00 H new ATOM 0 HA ASN A 18 4.519 2.179 -7.547 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.683 3.381 -9.373 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.611 4.275 -8.185 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.311 0.183 -8.096 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.669 0.822 -7.963 1.00 0.00 H new ATOM 247 N THR A 19 6.442 4.102 -5.687 1.00 0.00 N ATOM 248 CA THR A 19 7.026 4.349 -4.369 1.00 0.00 C ATOM 249 C THR A 19 8.167 5.351 -4.511 1.00 0.00 C ATOM 250 O THR A 19 8.715 5.506 -5.603 1.00 0.00 O ATOM 251 CB THR A 19 7.551 3.066 -3.679 1.00 0.00 C ATOM 252 OG1 THR A 19 7.806 2.034 -4.644 1.00 0.00 O ATOM 253 CG2 THR A 19 6.560 2.570 -2.634 1.00 0.00 C ATOM 0 H THR A 19 6.818 4.711 -6.414 1.00 0.00 H new ATOM 0 HA THR A 19 6.231 4.742 -3.735 1.00 0.00 H new ATOM 0 HB THR A 19 8.488 3.315 -3.181 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.631 1.561 -4.407 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.950 1.668 -2.162 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.413 3.341 -1.877 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.607 2.346 -3.114 1.00 0.00 H new ATOM 261 N PRO A 20 8.538 6.067 -3.437 1.00 0.00 N ATOM 262 CA PRO A 20 7.913 5.956 -2.117 1.00 0.00 C ATOM 263 C PRO A 20 6.701 6.878 -1.946 1.00 0.00 C ATOM 264 O PRO A 20 6.272 7.545 -2.892 1.00 0.00 O ATOM 265 CB PRO A 20 9.039 6.416 -1.199 1.00 0.00 C ATOM 266 CG PRO A 20 9.760 7.453 -1.987 1.00 0.00 C ATOM 267 CD PRO A 20 9.630 7.056 -3.435 1.00 0.00 C ATOM 0 HA PRO A 20 7.530 4.954 -1.925 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.649 6.825 -0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.698 5.589 -0.934 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.330 8.440 -1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.808 7.506 -1.692 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.393 7.914 -4.064 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.557 6.628 -3.816 1.00 0.00 H new ATOM 275 N LEU A 21 6.157 6.901 -0.735 1.00 0.00 N ATOM 276 CA LEU A 21 5.116 7.848 -0.368 1.00 0.00 C ATOM 277 C LEU A 21 5.096 8.007 1.149 1.00 0.00 C ATOM 278 O LEU A 21 5.075 7.018 1.885 1.00 0.00 O ATOM 279 CB LEU A 21 3.730 7.416 -0.890 1.00 0.00 C ATOM 280 CG LEU A 21 3.044 6.259 -0.147 1.00 0.00 C ATOM 281 CD1 LEU A 21 1.582 6.174 -0.553 1.00 0.00 C ATOM 282 CD2 LEU A 21 3.733 4.930 -0.422 1.00 0.00 C ATOM 0 H LEU A 21 6.425 6.265 0.016 1.00 0.00 H new ATOM 0 HA LEU A 21 5.343 8.806 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.069 8.282 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.833 7.134 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 21 3.116 6.461 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.104 5.351 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.080 7.108 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.512 6.001 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.220 4.135 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.702 4.719 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.771 4.983 -0.092 1.00 0.00 H new ATOM 294 N SER A 22 5.157 9.244 1.612 1.00 0.00 N ATOM 295 CA SER A 22 5.129 9.521 3.038 1.00 0.00 C ATOM 296 C SER A 22 3.687 9.596 3.531 1.00 0.00 C ATOM 297 O SER A 22 2.749 9.620 2.728 1.00 0.00 O ATOM 298 CB SER A 22 5.870 10.828 3.333 1.00 0.00 C ATOM 299 OG SER A 22 7.197 10.783 2.829 1.00 0.00 O ATOM 0 H SER A 22 5.226 10.073 1.021 1.00 0.00 H new ATOM 0 HA SER A 22 5.631 8.711 3.567 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.334 11.664 2.883 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.891 11.004 4.408 1.00 0.00 H new ATOM 0 HG SER A 22 7.651 11.629 3.027 1.00 0.00 H new ATOM 305 N GLU A 23 3.513 9.642 4.845 1.00 0.00 N ATOM 306 CA GLU A 23 2.185 9.693 5.441 1.00 0.00 C ATOM 307 C GLU A 23 1.455 10.968 5.021 1.00 0.00 C ATOM 308 O GLU A 23 0.243 10.960 4.805 1.00 0.00 O ATOM 309 CB GLU A 23 2.254 9.582 6.975 1.00 0.00 C ATOM 310 CG GLU A 23 3.015 10.704 7.679 1.00 0.00 C ATOM 311 CD GLU A 23 4.521 10.606 7.517 1.00 0.00 C ATOM 312 OE1 GLU A 23 5.051 11.082 6.493 1.00 0.00 O ATOM 313 OE2 GLU A 23 5.184 10.051 8.417 1.00 0.00 O ATOM 0 H GLU A 23 4.278 9.645 5.520 1.00 0.00 H new ATOM 0 HA GLU A 23 1.621 8.836 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.237 9.554 7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.721 8.632 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.677 11.663 7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.770 10.689 8.741 1.00 0.00 H new ATOM 320 N ASN A 24 2.206 12.050 4.861 1.00 0.00 N ATOM 321 CA ASN A 24 1.625 13.317 4.433 1.00 0.00 C ATOM 322 C ASN A 24 1.180 13.242 2.973 1.00 0.00 C ATOM 323 O ASN A 24 0.323 14.008 2.537 1.00 0.00 O ATOM 324 CB ASN A 24 2.617 14.475 4.628 1.00 0.00 C ATOM 325 CG ASN A 24 3.810 14.409 3.687 1.00 0.00 C ATOM 326 OD1 ASN A 24 4.829 13.796 4.000 1.00 0.00 O ATOM 327 ND2 ASN A 24 3.700 15.060 2.539 1.00 0.00 N ATOM 0 H ASN A 24 3.213 12.077 5.020 1.00 0.00 H new ATOM 0 HA ASN A 24 0.750 13.508 5.055 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.096 15.420 4.477 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.974 14.469 5.658 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.477 15.064 1.879 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.838 15.557 2.315 1.00 0.00 H new ATOM 334 N ASP A 25 1.761 12.309 2.224 1.00 0.00 N ATOM 335 CA ASP A 25 1.436 12.151 0.810 1.00 0.00 C ATOM 336 C ASP A 25 0.194 11.289 0.642 1.00 0.00 C ATOM 337 O ASP A 25 -0.694 11.608 -0.151 1.00 0.00 O ATOM 338 CB ASP A 25 2.604 11.524 0.036 1.00 0.00 C ATOM 339 CG ASP A 25 3.839 12.401 0.013 1.00 0.00 C ATOM 340 OD1 ASP A 25 3.820 13.445 -0.676 1.00 0.00 O ATOM 341 OD2 ASP A 25 4.837 12.043 0.670 1.00 0.00 O ATOM 0 H ASP A 25 2.459 11.651 2.572 1.00 0.00 H new ATOM 0 HA ASP A 25 1.245 13.144 0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.856 10.563 0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.288 11.324 -0.988 1.00 0.00 H new ATOM 346 N ILE A 26 0.133 10.198 1.397 1.00 0.00 N ATOM 347 CA ILE A 26 -0.993 9.278 1.309 1.00 0.00 C ATOM 348 C ILE A 26 -2.264 9.911 1.887 1.00 0.00 C ATOM 349 O ILE A 26 -3.353 9.757 1.325 1.00 0.00 O ATOM 350 CB ILE A 26 -0.679 7.925 2.008 1.00 0.00 C ATOM 351 CG1 ILE A 26 -1.893 6.994 1.982 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.214 8.136 3.439 1.00 0.00 C ATOM 353 CD1 ILE A 26 -2.422 6.708 0.595 1.00 0.00 C ATOM 0 H ILE A 26 0.847 9.930 2.074 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.167 9.070 0.253 1.00 0.00 H new ATOM 0 HB ILE A 26 0.130 7.455 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.625 6.051 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.690 7.437 2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.003 7.171 3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.690 8.745 3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.995 8.644 4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.282 6.041 0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.724 7.642 0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.642 6.234 -0.001 1.00 0.00 H new ATOM 365 N GLY A 27 -2.119 10.663 2.971 1.00 0.00 N ATOM 366 CA GLY A 27 -3.256 11.361 3.541 1.00 0.00 C ATOM 367 C GLY A 27 -3.578 10.912 4.952 1.00 0.00 C ATOM 368 O GLY A 27 -4.252 11.626 5.702 1.00 0.00 O ATOM 0 H GLY A 27 -1.237 10.802 3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.054 12.432 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.128 11.202 2.907 1.00 0.00 H new ATOM 372 N VAL A 28 -3.104 9.730 5.311 1.00 0.00 N ATOM 373 CA VAL A 28 -3.327 9.185 6.642 1.00 0.00 C ATOM 374 C VAL A 28 -2.057 9.305 7.472 1.00 0.00 C ATOM 375 O VAL A 28 -0.968 9.453 6.921 1.00 0.00 O ATOM 376 CB VAL A 28 -3.769 7.706 6.587 1.00 0.00 C ATOM 377 CG1 VAL A 28 -5.097 7.573 5.858 1.00 0.00 C ATOM 378 CG2 VAL A 28 -2.705 6.845 5.922 1.00 0.00 C ATOM 0 H VAL A 28 -2.559 9.126 4.696 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.129 9.761 7.104 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.899 7.353 7.610 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.393 6.524 5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.859 8.150 6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.993 7.949 4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.040 5.808 5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.535 7.198 4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.776 6.912 6.489 1.00 0.00 H new ATOM 388 N THR A 29 -2.190 9.241 8.789 1.00 0.00 N ATOM 389 CA THR A 29 -1.033 9.359 9.662 1.00 0.00 C ATOM 390 C THR A 29 -0.145 8.126 9.561 1.00 0.00 C ATOM 391 O THR A 29 -0.549 7.085 9.029 1.00 0.00 O ATOM 392 CB THR A 29 -1.433 9.602 11.140 1.00 0.00 C ATOM 393 OG1 THR A 29 -0.271 9.633 11.982 1.00 0.00 O ATOM 394 CG2 THR A 29 -2.396 8.537 11.642 1.00 0.00 C ATOM 0 H THR A 29 -3.079 9.109 9.272 1.00 0.00 H new ATOM 0 HA THR A 29 -0.474 10.231 9.322 1.00 0.00 H new ATOM 0 HB THR A 29 -1.936 10.568 11.182 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.544 9.789 12.910 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.654 8.740 12.681 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.301 8.549 11.035 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.924 7.557 11.570 1.00 0.00 H new ATOM 402 N GLU A 30 1.054 8.255 10.101 1.00 0.00 N ATOM 403 CA GLU A 30 2.061 7.204 10.038 1.00 0.00 C ATOM 404 C GLU A 30 1.576 5.939 10.737 1.00 0.00 C ATOM 405 O GLU A 30 1.960 4.831 10.372 1.00 0.00 O ATOM 406 CB GLU A 30 3.366 7.687 10.672 1.00 0.00 C ATOM 407 CG GLU A 30 3.172 8.351 12.025 1.00 0.00 C ATOM 408 CD GLU A 30 4.479 8.710 12.698 1.00 0.00 C ATOM 409 OE1 GLU A 30 5.099 7.820 13.314 1.00 0.00 O ATOM 410 OE2 GLU A 30 4.890 9.887 12.620 1.00 0.00 O ATOM 0 H GLU A 30 1.360 9.092 10.597 1.00 0.00 H new ATOM 0 HA GLU A 30 2.239 6.967 8.989 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.041 6.839 10.786 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.850 8.392 9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.574 9.254 11.899 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.606 7.683 12.674 1.00 0.00 H new ATOM 417 N ASP A 31 0.720 6.116 11.736 1.00 0.00 N ATOM 418 CA ASP A 31 0.150 4.991 12.467 1.00 0.00 C ATOM 419 C ASP A 31 -0.739 4.160 11.558 1.00 0.00 C ATOM 420 O ASP A 31 -0.682 2.931 11.564 1.00 0.00 O ATOM 421 CB ASP A 31 -0.658 5.486 13.664 1.00 0.00 C ATOM 422 CG ASP A 31 0.182 6.277 14.641 1.00 0.00 C ATOM 423 OD1 ASP A 31 0.831 5.658 15.511 1.00 0.00 O ATOM 424 OD2 ASP A 31 0.203 7.523 14.540 1.00 0.00 O ATOM 0 H ASP A 31 0.405 7.031 12.059 1.00 0.00 H new ATOM 0 HA ASP A 31 0.970 4.369 12.825 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.481 6.107 13.311 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.100 4.633 14.178 1.00 0.00 H new ATOM 429 N GLN A 32 -1.550 4.841 10.759 1.00 0.00 N ATOM 430 CA GLN A 32 -2.446 4.169 9.831 1.00 0.00 C ATOM 431 C GLN A 32 -1.646 3.561 8.688 1.00 0.00 C ATOM 432 O GLN A 32 -2.017 2.523 8.143 1.00 0.00 O ATOM 433 CB GLN A 32 -3.488 5.145 9.284 1.00 0.00 C ATOM 434 CG GLN A 32 -4.310 5.820 10.367 1.00 0.00 C ATOM 435 CD GLN A 32 -5.337 6.780 9.805 1.00 0.00 C ATOM 436 OE1 GLN A 32 -5.052 7.958 9.595 1.00 0.00 O ATOM 437 NE2 GLN A 32 -6.541 6.283 9.569 1.00 0.00 N ATOM 0 H GLN A 32 -1.605 5.859 10.736 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.968 3.375 10.365 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.984 5.909 8.692 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.158 4.610 8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.816 5.059 10.961 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.644 6.359 11.040 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.733 5.299 9.758 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.277 6.884 9.198 1.00 0.00 H new ATOM 446 N PHE A 33 -0.549 4.225 8.335 1.00 0.00 N ATOM 447 CA PHE A 33 0.369 3.717 7.323 1.00 0.00 C ATOM 448 C PHE A 33 1.014 2.422 7.811 1.00 0.00 C ATOM 449 O PHE A 33 1.073 1.433 7.080 1.00 0.00 O ATOM 450 CB PHE A 33 1.442 4.772 7.013 1.00 0.00 C ATOM 451 CG PHE A 33 2.358 4.408 5.876 1.00 0.00 C ATOM 452 CD1 PHE A 33 1.981 4.647 4.565 1.00 0.00 C ATOM 453 CD2 PHE A 33 3.599 3.839 6.119 1.00 0.00 C ATOM 454 CE1 PHE A 33 2.821 4.323 3.517 1.00 0.00 C ATOM 455 CE2 PHE A 33 4.445 3.514 5.074 1.00 0.00 C ATOM 456 CZ PHE A 33 4.055 3.756 3.772 1.00 0.00 C ATOM 0 H PHE A 33 -0.274 5.121 8.738 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.184 3.506 6.408 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.950 5.716 6.780 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.041 4.938 7.908 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.019 5.092 4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.909 3.647 7.136 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.513 4.513 2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.409 3.072 5.276 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.713 3.503 2.954 1.00 0.00 H new ATOM 466 N ASP A 34 1.483 2.444 9.058 1.00 0.00 N ATOM 467 CA ASP A 34 2.062 1.265 9.703 1.00 0.00 C ATOM 468 C ASP A 34 1.064 0.111 9.699 1.00 0.00 C ATOM 469 O ASP A 34 1.370 -0.982 9.219 1.00 0.00 O ATOM 470 CB ASP A 34 2.478 1.611 11.140 1.00 0.00 C ATOM 471 CG ASP A 34 2.970 0.412 11.936 1.00 0.00 C ATOM 472 OD1 ASP A 34 4.113 -0.032 11.715 1.00 0.00 O ATOM 473 OD2 ASP A 34 2.225 -0.068 12.818 1.00 0.00 O ATOM 0 H ASP A 34 1.473 3.276 9.648 1.00 0.00 H new ATOM 0 HA ASP A 34 2.945 0.954 9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.265 2.365 11.110 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.629 2.057 11.658 1.00 0.00 H new ATOM 478 N ASP A 35 -0.139 0.373 10.202 1.00 0.00 N ATOM 479 CA ASP A 35 -1.204 -0.634 10.226 1.00 0.00 C ATOM 480 C ASP A 35 -1.534 -1.126 8.826 1.00 0.00 C ATOM 481 O ASP A 35 -1.822 -2.305 8.625 1.00 0.00 O ATOM 482 CB ASP A 35 -2.476 -0.079 10.872 1.00 0.00 C ATOM 483 CG ASP A 35 -2.465 -0.168 12.383 1.00 0.00 C ATOM 484 OD1 ASP A 35 -1.784 -1.059 12.930 1.00 0.00 O ATOM 485 OD2 ASP A 35 -3.159 0.647 13.029 1.00 0.00 O ATOM 0 H ASP A 35 -0.404 1.274 10.600 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.834 -1.470 10.819 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.601 0.963 10.577 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.338 -0.625 10.489 1.00 0.00 H new ATOM 490 N ALA A 36 -1.505 -0.218 7.860 1.00 0.00 N ATOM 491 CA ALA A 36 -1.803 -0.567 6.482 1.00 0.00 C ATOM 492 C ALA A 36 -0.757 -1.521 5.931 1.00 0.00 C ATOM 493 O ALA A 36 -1.078 -2.645 5.556 1.00 0.00 O ATOM 494 CB ALA A 36 -1.891 0.679 5.614 1.00 0.00 C ATOM 0 H ALA A 36 -1.278 0.765 8.007 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.771 -1.067 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.115 0.392 4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.681 1.329 5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.940 1.210 5.643 1.00 0.00 H new ATOM 500 N VAL A 37 0.494 -1.076 5.918 1.00 0.00 N ATOM 501 CA VAL A 37 1.581 -1.850 5.332 1.00 0.00 C ATOM 502 C VAL A 37 1.709 -3.217 5.997 1.00 0.00 C ATOM 503 O VAL A 37 1.867 -4.226 5.316 1.00 0.00 O ATOM 504 CB VAL A 37 2.928 -1.099 5.424 1.00 0.00 C ATOM 505 CG1 VAL A 37 4.050 -1.927 4.823 1.00 0.00 C ATOM 506 CG2 VAL A 37 2.833 0.249 4.728 1.00 0.00 C ATOM 0 H VAL A 37 0.781 -0.179 6.309 1.00 0.00 H new ATOM 0 HA VAL A 37 1.335 -1.992 4.280 1.00 0.00 H new ATOM 0 HB VAL A 37 3.153 -0.932 6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.988 -1.378 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.136 -2.870 5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.832 -2.129 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.790 0.765 4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.582 0.099 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.059 0.851 5.204 1.00 0.00 H new ATOM 516 N ASN A 38 1.616 -3.250 7.323 1.00 0.00 N ATOM 517 CA ASN A 38 1.713 -4.506 8.065 1.00 0.00 C ATOM 518 C ASN A 38 0.586 -5.455 7.681 1.00 0.00 C ATOM 519 O ASN A 38 0.809 -6.651 7.481 1.00 0.00 O ATOM 520 CB ASN A 38 1.690 -4.251 9.572 1.00 0.00 C ATOM 521 CG ASN A 38 2.975 -3.619 10.069 1.00 0.00 C ATOM 522 OD1 ASN A 38 4.055 -3.887 9.544 1.00 0.00 O ATOM 523 ND2 ASN A 38 2.867 -2.778 11.082 1.00 0.00 N ATOM 0 H ASN A 38 1.474 -2.425 7.906 1.00 0.00 H new ATOM 0 HA ASN A 38 2.663 -4.972 7.803 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.850 -3.600 9.815 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.525 -5.193 10.095 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.699 -2.323 11.458 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.952 -2.584 11.488 1.00 0.00 H new ATOM 530 N PHE A 39 -0.624 -4.920 7.561 1.00 0.00 N ATOM 531 CA PHE A 39 -1.783 -5.721 7.191 1.00 0.00 C ATOM 532 C PHE A 39 -1.679 -6.187 5.742 1.00 0.00 C ATOM 533 O PHE A 39 -1.911 -7.356 5.437 1.00 0.00 O ATOM 534 CB PHE A 39 -3.073 -4.919 7.397 1.00 0.00 C ATOM 535 CG PHE A 39 -4.322 -5.665 7.024 1.00 0.00 C ATOM 536 CD1 PHE A 39 -4.830 -6.652 7.852 1.00 0.00 C ATOM 537 CD2 PHE A 39 -4.987 -5.379 5.841 1.00 0.00 C ATOM 538 CE1 PHE A 39 -5.978 -7.340 7.510 1.00 0.00 C ATOM 539 CE2 PHE A 39 -6.136 -6.065 5.493 1.00 0.00 C ATOM 540 CZ PHE A 39 -6.631 -7.047 6.328 1.00 0.00 C ATOM 0 H PHE A 39 -0.827 -3.932 7.715 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.809 -6.601 7.834 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.140 -4.620 8.443 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.018 -4.004 6.807 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.323 -6.887 8.776 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.603 -4.612 5.184 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.365 -8.106 8.166 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.646 -5.833 4.569 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.527 -7.585 6.058 1.00 0.00 H new ATOM 550 N LEU A 40 -1.316 -5.268 4.857 1.00 0.00 N ATOM 551 CA LEU A 40 -1.179 -5.576 3.439 1.00 0.00 C ATOM 552 C LEU A 40 -0.073 -6.605 3.227 1.00 0.00 C ATOM 553 O LEU A 40 -0.185 -7.484 2.376 1.00 0.00 O ATOM 554 CB LEU A 40 -0.873 -4.304 2.646 1.00 0.00 C ATOM 555 CG LEU A 40 -1.896 -3.175 2.803 1.00 0.00 C ATOM 556 CD1 LEU A 40 -1.430 -1.933 2.063 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.266 -3.610 2.308 1.00 0.00 C ATOM 0 H LEU A 40 -1.110 -4.298 5.098 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.120 -5.993 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.105 -3.931 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.800 -4.562 1.590 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.981 -2.937 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.167 -1.139 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.473 -1.605 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.314 -2.163 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.974 -2.791 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.203 -3.881 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.604 -4.471 2.884 1.00 0.00 H new ATOM 569 N LYS A 41 0.987 -6.485 4.015 1.00 0.00 N ATOM 570 CA LYS A 41 2.090 -7.435 3.986 1.00 0.00 C ATOM 571 C LYS A 41 1.607 -8.808 4.447 1.00 0.00 C ATOM 572 O LYS A 41 1.901 -9.822 3.818 1.00 0.00 O ATOM 573 CB LYS A 41 3.232 -6.923 4.880 1.00 0.00 C ATOM 574 CG LYS A 41 4.496 -7.773 4.862 1.00 0.00 C ATOM 575 CD LYS A 41 4.428 -8.929 5.856 1.00 0.00 C ATOM 576 CE LYS A 41 4.272 -8.447 7.295 1.00 0.00 C ATOM 577 NZ LYS A 41 5.466 -7.700 7.772 1.00 0.00 N ATOM 0 H LYS A 41 1.106 -5.729 4.690 1.00 0.00 H new ATOM 0 HA LYS A 41 2.464 -7.532 2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.489 -5.910 4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.869 -6.860 5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.652 -8.168 3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.357 -7.146 5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.590 -9.577 5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.333 -9.531 5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.393 -7.807 7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.098 -9.304 7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.321 -7.407 8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.305 -8.312 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.608 -6.858 7.179 1.00 0.00 H new ATOM 591 N ARG A 42 0.851 -8.821 5.540 1.00 0.00 N ATOM 592 CA ARG A 42 0.316 -10.059 6.095 1.00 0.00 C ATOM 593 C ARG A 42 -0.596 -10.759 5.090 1.00 0.00 C ATOM 594 O ARG A 42 -0.540 -11.976 4.923 1.00 0.00 O ATOM 595 CB ARG A 42 -0.475 -9.770 7.373 1.00 0.00 C ATOM 596 CG ARG A 42 -0.990 -11.026 8.059 1.00 0.00 C ATOM 597 CD ARG A 42 -2.078 -10.718 9.079 1.00 0.00 C ATOM 598 NE ARG A 42 -1.642 -9.780 10.113 1.00 0.00 N ATOM 599 CZ ARG A 42 -1.180 -10.153 11.307 1.00 0.00 C ATOM 600 NH1 ARG A 42 -0.973 -11.437 11.574 1.00 0.00 N ATOM 601 NH2 ARG A 42 -0.907 -9.237 12.229 1.00 0.00 N ATOM 0 H ARG A 42 0.594 -7.983 6.061 1.00 0.00 H new ATOM 0 HA ARG A 42 1.158 -10.712 6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.159 -9.219 8.068 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.319 -9.124 7.131 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.381 -11.713 7.309 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.162 -11.533 8.555 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.945 -10.305 8.564 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.400 -11.647 9.551 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.694 -8.782 9.909 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.167 -12.143 10.864 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.619 -11.717 12.489 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.051 -8.248 12.024 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.554 -9.522 13.142 1.00 0.00 H new ATOM 615 N GLU A 43 -1.429 -9.980 4.417 1.00 0.00 N ATOM 616 CA GLU A 43 -2.430 -10.534 3.520 1.00 0.00 C ATOM 617 C GLU A 43 -1.890 -10.660 2.090 1.00 0.00 C ATOM 618 O GLU A 43 -2.647 -10.886 1.142 1.00 0.00 O ATOM 619 CB GLU A 43 -3.688 -9.665 3.572 1.00 0.00 C ATOM 620 CG GLU A 43 -4.923 -10.336 2.998 1.00 0.00 C ATOM 621 CD GLU A 43 -5.041 -11.784 3.421 1.00 0.00 C ATOM 622 OE1 GLU A 43 -5.198 -12.052 4.629 1.00 0.00 O ATOM 623 OE2 GLU A 43 -4.974 -12.663 2.539 1.00 0.00 O ATOM 0 H GLU A 43 -1.431 -8.962 4.475 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.684 -11.542 3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.885 -9.389 4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.502 -8.740 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.811 -9.793 3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.892 -10.279 1.910 1.00 0.00 H new ATOM 630 N GLY A 44 -0.577 -10.516 1.951 1.00 0.00 N ATOM 631 CA GLY A 44 0.080 -10.766 0.679 1.00 0.00 C ATOM 632 C GLY A 44 -0.377 -9.844 -0.432 1.00 0.00 C ATOM 633 O GLY A 44 -0.525 -10.271 -1.577 1.00 0.00 O ATOM 0 H GLY A 44 0.050 -10.228 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.157 -10.659 0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.104 -11.798 0.382 1.00 0.00 H new ATOM 637 N TYR A 45 -0.611 -8.582 -0.108 1.00 0.00 N ATOM 638 CA TYR A 45 -0.976 -7.605 -1.125 1.00 0.00 C ATOM 639 C TYR A 45 0.270 -6.972 -1.727 1.00 0.00 C ATOM 640 O TYR A 45 0.273 -6.566 -2.889 1.00 0.00 O ATOM 641 CB TYR A 45 -1.892 -6.523 -0.548 1.00 0.00 C ATOM 642 CG TYR A 45 -3.288 -7.011 -0.219 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.074 -7.628 -1.186 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.825 -6.848 1.050 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.352 -8.067 -0.897 1.00 0.00 C ATOM 646 CE2 TYR A 45 -5.102 -7.284 1.347 1.00 0.00 C ATOM 647 CZ TYR A 45 -5.861 -7.894 0.371 1.00 0.00 C ATOM 648 OH TYR A 45 -7.133 -8.332 0.663 1.00 0.00 O ATOM 0 H TYR A 45 -0.556 -8.212 0.841 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.521 -8.128 -1.911 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.436 -6.120 0.356 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.963 -5.703 -1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.678 -7.767 -2.181 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.235 -6.372 1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.948 -8.543 -1.661 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.504 -7.147 2.340 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.340 -8.135 1.601 1.00 0.00 H new ATOM 658 N ILE A 46 1.332 -6.905 -0.934 1.00 0.00 N ATOM 659 CA ILE A 46 2.592 -6.344 -1.387 1.00 0.00 C ATOM 660 C ILE A 46 3.767 -7.110 -0.786 1.00 0.00 C ATOM 661 O ILE A 46 3.660 -7.663 0.310 1.00 0.00 O ATOM 662 CB ILE A 46 2.709 -4.833 -1.053 1.00 0.00 C ATOM 663 CG1 ILE A 46 2.088 -4.495 0.311 1.00 0.00 C ATOM 664 CG2 ILE A 46 2.065 -3.994 -2.141 1.00 0.00 C ATOM 665 CD1 ILE A 46 2.926 -4.913 1.495 1.00 0.00 C ATOM 0 H ILE A 46 1.342 -7.235 0.031 1.00 0.00 H new ATOM 0 HA ILE A 46 2.619 -6.444 -2.472 1.00 0.00 H new ATOM 0 HB ILE A 46 3.772 -4.597 -1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.917 -3.420 0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.113 -4.977 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.157 -2.938 -1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.564 -4.185 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.010 -4.256 -2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.415 -4.637 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.076 -5.992 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.893 -4.411 1.452 1.00 0.00 H new ATOM 677 N ILE A 47 4.867 -7.168 -1.521 1.00 0.00 N ATOM 678 CA ILE A 47 6.077 -7.829 -1.045 1.00 0.00 C ATOM 679 C ILE A 47 7.277 -6.924 -1.268 1.00 0.00 C ATOM 680 O ILE A 47 7.277 -6.107 -2.189 1.00 0.00 O ATOM 681 CB ILE A 47 6.339 -9.203 -1.729 1.00 0.00 C ATOM 682 CG1 ILE A 47 6.584 -9.060 -3.245 1.00 0.00 C ATOM 683 CG2 ILE A 47 5.191 -10.168 -1.459 1.00 0.00 C ATOM 684 CD1 ILE A 47 5.345 -8.764 -4.071 1.00 0.00 C ATOM 0 H ILE A 47 4.949 -6.764 -2.454 1.00 0.00 H new ATOM 0 HA ILE A 47 5.927 -8.023 0.017 1.00 0.00 H new ATOM 0 HB ILE A 47 7.250 -9.611 -1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.309 -8.262 -3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.036 -9.981 -3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.395 -11.121 -1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.091 -10.323 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.264 -9.750 -1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.620 -8.681 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.623 -9.572 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.901 -7.826 -3.737 1.00 0.00 H new ATOM 696 N GLY A 48 8.283 -7.053 -0.420 1.00 0.00 N ATOM 697 CA GLY A 48 9.459 -6.218 -0.539 1.00 0.00 C ATOM 698 C GLY A 48 9.355 -4.987 0.331 1.00 0.00 C ATOM 699 O GLY A 48 9.818 -3.906 -0.037 1.00 0.00 O ATOM 0 H GLY A 48 8.307 -7.722 0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.343 -6.790 -0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.591 -5.920 -1.579 1.00 0.00 H new ATOM 703 N VAL A 49 8.737 -5.154 1.490 1.00 0.00 N ATOM 704 CA VAL A 49 8.546 -4.055 2.416 1.00 0.00 C ATOM 705 C VAL A 49 9.867 -3.666 3.058 1.00 0.00 C ATOM 706 O VAL A 49 10.478 -4.456 3.777 1.00 0.00 O ATOM 707 CB VAL A 49 7.531 -4.406 3.523 1.00 0.00 C ATOM 708 CG1 VAL A 49 7.370 -3.243 4.498 1.00 0.00 C ATOM 709 CG2 VAL A 49 6.189 -4.787 2.913 1.00 0.00 C ATOM 0 H VAL A 49 8.359 -6.045 1.810 1.00 0.00 H new ATOM 0 HA VAL A 49 8.152 -3.217 1.840 1.00 0.00 H new ATOM 0 HB VAL A 49 7.912 -5.263 4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.650 -3.513 5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.332 -3.020 4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.014 -2.364 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.484 -5.032 3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.803 -3.950 2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.317 -5.652 2.263 1.00 0.00 H new ATOM 719 N HIS A 50 10.316 -2.457 2.774 1.00 0.00 N ATOM 720 CA HIS A 50 11.519 -1.937 3.400 1.00 0.00 C ATOM 721 C HIS A 50 11.182 -1.383 4.772 1.00 0.00 C ATOM 722 O HIS A 50 10.167 -0.710 4.944 1.00 0.00 O ATOM 723 CB HIS A 50 12.170 -0.841 2.550 1.00 0.00 C ATOM 724 CG HIS A 50 12.781 -1.333 1.277 1.00 0.00 C ATOM 725 ND1 HIS A 50 13.831 -2.219 1.240 1.00 0.00 N ATOM 726 CD2 HIS A 50 12.493 -1.042 -0.011 1.00 0.00 C ATOM 727 CE1 HIS A 50 14.167 -2.449 -0.014 1.00 0.00 C ATOM 728 NE2 HIS A 50 13.369 -1.747 -0.798 1.00 0.00 N ATOM 0 H HIS A 50 9.868 -1.818 2.117 1.00 0.00 H new ATOM 0 HA HIS A 50 12.230 -2.758 3.493 1.00 0.00 H new ATOM 0 HB2 HIS A 50 11.419 -0.088 2.312 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.940 -0.347 3.142 1.00 0.00 H new ATOM 0 HD1 HIS A 50 14.281 -2.634 2.056 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.716 -0.377 -0.357 1.00 0.00 H new ATOM 0 HE1 HIS A 50 14.961 -3.102 -0.345 1.00 0.00 H new ATOM 737 N TYR A 51 12.012 -1.696 5.746 1.00 0.00 N ATOM 738 CA TYR A 51 11.868 -1.137 7.075 1.00 0.00 C ATOM 739 C TYR A 51 12.985 -0.133 7.302 1.00 0.00 C ATOM 740 O TYR A 51 14.134 -0.399 6.957 1.00 0.00 O ATOM 741 CB TYR A 51 11.898 -2.248 8.131 1.00 0.00 C ATOM 742 CG TYR A 51 10.784 -3.261 7.956 1.00 0.00 C ATOM 743 CD1 TYR A 51 9.550 -3.072 8.563 1.00 0.00 C ATOM 744 CD2 TYR A 51 10.960 -4.394 7.170 1.00 0.00 C ATOM 745 CE1 TYR A 51 8.524 -3.984 8.394 1.00 0.00 C ATOM 746 CE2 TYR A 51 9.939 -5.307 6.991 1.00 0.00 C ATOM 747 CZ TYR A 51 8.722 -5.097 7.605 1.00 0.00 C ATOM 748 OH TYR A 51 7.698 -6.001 7.423 1.00 0.00 O ATOM 0 H TYR A 51 12.798 -2.338 5.641 1.00 0.00 H new ATOM 0 HA TYR A 51 10.907 -0.631 7.164 1.00 0.00 H new ATOM 0 HB2 TYR A 51 12.859 -2.761 8.084 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.823 -1.802 9.123 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.388 -2.199 9.177 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.913 -4.564 6.690 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.572 -3.825 8.878 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.093 -6.180 6.374 1.00 0.00 H new ATOM 0 HH TYR A 51 8.002 -6.727 6.839 1.00 0.00 H new ATOM 758 N SER A 52 12.645 1.021 7.864 1.00 0.00 N ATOM 759 CA SER A 52 13.607 2.106 8.009 1.00 0.00 C ATOM 760 C SER A 52 14.691 1.707 9.002 1.00 0.00 C ATOM 761 O SER A 52 15.866 2.045 8.841 1.00 0.00 O ATOM 762 CB SER A 52 12.894 3.387 8.466 1.00 0.00 C ATOM 763 OG SER A 52 13.721 4.527 8.315 1.00 0.00 O ATOM 0 H SER A 52 11.714 1.229 8.225 1.00 0.00 H new ATOM 0 HA SER A 52 14.075 2.302 7.044 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.980 3.521 7.888 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.599 3.287 9.510 1.00 0.00 H new ATOM 0 HG SER A 52 13.236 5.325 8.613 1.00 0.00 H new ATOM 769 N ASP A 53 14.267 0.951 10.002 1.00 0.00 N ATOM 770 CA ASP A 53 15.129 0.458 11.065 1.00 0.00 C ATOM 771 C ASP A 53 14.251 -0.240 12.083 1.00 0.00 C ATOM 772 O ASP A 53 14.613 -1.264 12.658 1.00 0.00 O ATOM 773 CB ASP A 53 15.901 1.601 11.733 1.00 0.00 C ATOM 774 CG ASP A 53 16.700 1.135 12.931 1.00 0.00 C ATOM 775 OD1 ASP A 53 17.757 0.498 12.737 1.00 0.00 O ATOM 776 OD2 ASP A 53 16.271 1.399 14.074 1.00 0.00 O ATOM 0 H ASP A 53 13.295 0.657 10.100 1.00 0.00 H new ATOM 0 HA ASP A 53 15.866 -0.230 10.649 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.574 2.055 11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.200 2.375 12.046 1.00 0.00 H new ATOM 781 N ASP A 54 13.069 0.326 12.267 1.00 0.00 N ATOM 782 CA ASP A 54 12.066 -0.235 13.160 1.00 0.00 C ATOM 783 C ASP A 54 10.702 -0.298 12.482 1.00 0.00 C ATOM 784 O ASP A 54 9.997 -1.298 12.583 1.00 0.00 O ATOM 785 CB ASP A 54 11.964 0.598 14.441 1.00 0.00 C ATOM 786 CG ASP A 54 10.656 0.372 15.177 1.00 0.00 C ATOM 787 OD1 ASP A 54 10.511 -0.679 15.835 1.00 0.00 O ATOM 788 OD2 ASP A 54 9.761 1.240 15.084 1.00 0.00 O ATOM 0 H ASP A 54 12.777 1.186 11.803 1.00 0.00 H new ATOM 0 HA ASP A 54 12.377 -1.249 13.413 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.796 0.349 15.100 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.060 1.655 14.192 1.00 0.00 H new ATOM 793 N ARG A 55 10.337 0.767 11.782 1.00 0.00 N ATOM 794 CA ARG A 55 9.000 0.871 11.218 1.00 0.00 C ATOM 795 C ARG A 55 9.049 0.708 9.703 1.00 0.00 C ATOM 796 O ARG A 55 10.041 1.085 9.069 1.00 0.00 O ATOM 797 CB ARG A 55 8.377 2.227 11.579 1.00 0.00 C ATOM 798 CG ARG A 55 6.869 2.166 11.776 1.00 0.00 C ATOM 799 CD ARG A 55 6.487 1.868 13.224 1.00 0.00 C ATOM 800 NE ARG A 55 7.340 0.855 13.855 1.00 0.00 N ATOM 801 CZ ARG A 55 6.943 -0.384 14.152 1.00 0.00 C ATOM 802 NH1 ARG A 55 5.777 -0.842 13.708 1.00 0.00 N ATOM 803 NH2 ARG A 55 7.738 -1.182 14.859 1.00 0.00 N ATOM 0 H ARG A 55 10.943 1.565 11.592 1.00 0.00 H new ATOM 0 HA ARG A 55 8.384 0.075 11.637 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.841 2.600 12.492 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.604 2.944 10.790 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.426 3.115 11.473 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.450 1.397 11.126 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.541 2.790 13.803 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.451 1.531 13.257 1.00 0.00 H new ATOM 0 HE ARG A 55 8.300 1.115 14.082 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.179 -0.245 13.136 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.480 -1.790 13.939 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.649 -0.847 15.173 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.437 -2.129 15.087 1.00 0.00 H new ATOM 817 N PRO A 56 7.995 0.119 9.106 1.00 0.00 N ATOM 818 CA PRO A 56 7.875 0.007 7.652 1.00 0.00 C ATOM 819 C PRO A 56 8.022 1.358 6.966 1.00 0.00 C ATOM 820 O PRO A 56 7.475 2.364 7.422 1.00 0.00 O ATOM 821 CB PRO A 56 6.461 -0.535 7.438 1.00 0.00 C ATOM 822 CG PRO A 56 6.112 -1.225 8.711 1.00 0.00 C ATOM 823 CD PRO A 56 6.848 -0.499 9.803 1.00 0.00 C ATOM 0 HA PRO A 56 8.654 -0.629 7.231 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.759 0.270 7.221 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.427 -1.224 6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.036 -1.199 8.884 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.404 -2.274 8.677 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.218 0.252 10.279 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.177 -1.182 10.586 1.00 0.00 H new ATOM 831 N HIS A 57 8.774 1.383 5.882 1.00 0.00 N ATOM 832 CA HIS A 57 8.971 2.602 5.127 1.00 0.00 C ATOM 833 C HIS A 57 9.248 2.273 3.672 1.00 0.00 C ATOM 834 O HIS A 57 10.325 1.794 3.323 1.00 0.00 O ATOM 835 CB HIS A 57 10.115 3.423 5.719 1.00 0.00 C ATOM 836 CG HIS A 57 9.743 4.851 5.958 1.00 0.00 C ATOM 837 ND1 HIS A 57 9.140 5.281 7.119 1.00 0.00 N ATOM 838 CD2 HIS A 57 9.873 5.946 5.175 1.00 0.00 C ATOM 839 CE1 HIS A 57 8.914 6.578 7.038 1.00 0.00 C ATOM 840 NE2 HIS A 57 9.348 7.008 5.868 1.00 0.00 N ATOM 0 H HIS A 57 9.259 0.569 5.505 1.00 0.00 H new ATOM 0 HA HIS A 57 8.061 3.199 5.184 1.00 0.00 H new ATOM 0 HB2 HIS A 57 10.430 2.972 6.660 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.971 3.384 5.045 1.00 0.00 H new ATOM 0 HD2 HIS A 57 10.309 5.979 4.187 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.451 7.186 7.801 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.301 7.971 5.534 1.00 0.00 H new ATOM 849 N LEU A 58 8.256 2.503 2.835 1.00 0.00 N ATOM 850 CA LEU A 58 8.375 2.212 1.419 1.00 0.00 C ATOM 851 C LEU A 58 9.264 3.245 0.745 1.00 0.00 C ATOM 852 O LEU A 58 9.135 4.439 0.999 1.00 0.00 O ATOM 853 CB LEU A 58 6.985 2.178 0.784 1.00 0.00 C ATOM 854 CG LEU A 58 6.028 1.158 1.406 1.00 0.00 C ATOM 855 CD1 LEU A 58 4.664 1.235 0.746 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.602 -0.249 1.302 1.00 0.00 C ATOM 0 H LEU A 58 7.355 2.892 3.112 1.00 0.00 H new ATOM 0 HA LEU A 58 8.838 1.235 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.540 3.170 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.090 1.958 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 58 5.908 1.398 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.998 0.503 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.251 2.235 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.762 1.023 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.907 -0.959 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.755 -0.503 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.555 -0.293 1.829 1.00 0.00 H new ATOM 868 N TYR A 59 10.185 2.773 -0.089 1.00 0.00 N ATOM 869 CA TYR A 59 11.132 3.652 -0.765 1.00 0.00 C ATOM 870 C TYR A 59 11.090 3.436 -2.270 1.00 0.00 C ATOM 871 O TYR A 59 10.319 2.613 -2.754 1.00 0.00 O ATOM 872 CB TYR A 59 12.549 3.429 -0.236 1.00 0.00 C ATOM 873 CG TYR A 59 12.744 3.934 1.173 1.00 0.00 C ATOM 874 CD1 TYR A 59 12.667 5.291 1.458 1.00 0.00 C ATOM 875 CD2 TYR A 59 12.995 3.058 2.220 1.00 0.00 C ATOM 876 CE1 TYR A 59 12.835 5.761 2.745 1.00 0.00 C ATOM 877 CE2 TYR A 59 13.162 3.520 3.511 1.00 0.00 C ATOM 878 CZ TYR A 59 13.083 4.872 3.767 1.00 0.00 C ATOM 879 OH TYR A 59 13.239 5.339 5.052 1.00 0.00 O ATOM 0 H TYR A 59 10.296 1.784 -0.313 1.00 0.00 H new ATOM 0 HA TYR A 59 10.843 4.682 -0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.779 2.364 -0.268 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.259 3.928 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.472 5.991 0.659 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.061 1.998 2.022 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.772 6.820 2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.353 2.825 4.316 1.00 0.00 H new ATOM 0 HH TYR A 59 13.407 4.586 5.656 1.00 0.00 H new ATOM 889 N LYS A 60 11.947 4.170 -2.983 1.00 0.00 N ATOM 890 CA LYS A 60 11.954 4.218 -4.451 1.00 0.00 C ATOM 891 C LYS A 60 11.784 2.846 -5.101 1.00 0.00 C ATOM 892 O LYS A 60 10.878 2.644 -5.911 1.00 0.00 O ATOM 893 CB LYS A 60 13.261 4.851 -4.929 1.00 0.00 C ATOM 894 CG LYS A 60 13.424 6.302 -4.506 1.00 0.00 C ATOM 895 CD LYS A 60 14.828 6.811 -4.788 1.00 0.00 C ATOM 896 CE LYS A 60 14.947 8.303 -4.528 1.00 0.00 C ATOM 897 NZ LYS A 60 14.209 9.098 -5.542 1.00 0.00 N ATOM 0 H LYS A 60 12.664 4.755 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 60 11.096 4.818 -4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.099 4.272 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.308 4.791 -6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.699 6.920 -5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.208 6.398 -3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.542 6.275 -4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.090 6.600 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.560 8.531 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.998 8.591 -4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.487 10.097 -5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.436 8.744 -6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.186 9.010 -5.375 1.00 0.00 H new ATOM 911 N LEU A 61 12.650 1.909 -4.751 1.00 0.00 N ATOM 912 CA LEU A 61 12.608 0.583 -5.349 1.00 0.00 C ATOM 913 C LEU A 61 12.583 -0.498 -4.276 1.00 0.00 C ATOM 914 O LEU A 61 13.158 -0.334 -3.198 1.00 0.00 O ATOM 915 CB LEU A 61 13.794 0.389 -6.315 1.00 0.00 C ATOM 916 CG LEU A 61 15.181 0.775 -5.775 1.00 0.00 C ATOM 917 CD1 LEU A 61 15.770 -0.338 -4.918 1.00 0.00 C ATOM 918 CD2 LEU A 61 16.120 1.115 -6.924 1.00 0.00 C ATOM 0 H LEU A 61 13.388 2.040 -4.059 1.00 0.00 H new ATOM 0 HA LEU A 61 11.687 0.494 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.823 -0.658 -6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.602 0.974 -7.215 1.00 0.00 H new ATOM 0 HG LEU A 61 15.063 1.656 -5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.751 -0.035 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.111 -0.534 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.871 -1.243 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.098 1.386 -6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.222 0.250 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.713 1.953 -7.490 1.00 0.00 H new ATOM 930 N GLY A 62 11.887 -1.589 -4.557 1.00 0.00 N ATOM 931 CA GLY A 62 11.832 -2.686 -3.615 1.00 0.00 C ATOM 932 C GLY A 62 10.440 -3.267 -3.474 1.00 0.00 C ATOM 933 O GLY A 62 10.223 -4.430 -3.813 1.00 0.00 O ATOM 0 H GLY A 62 11.361 -1.734 -5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.518 -3.470 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.177 -2.340 -2.641 1.00 0.00 H new ATOM 937 N PRO A 63 9.473 -2.481 -2.963 1.00 0.00 N ATOM 938 CA PRO A 63 8.101 -2.950 -2.763 1.00 0.00 C ATOM 939 C PRO A 63 7.345 -3.164 -4.072 1.00 0.00 C ATOM 940 O PRO A 63 7.191 -2.245 -4.878 1.00 0.00 O ATOM 941 CB PRO A 63 7.451 -1.832 -1.945 1.00 0.00 C ATOM 942 CG PRO A 63 8.244 -0.611 -2.258 1.00 0.00 C ATOM 943 CD PRO A 63 9.646 -1.078 -2.531 1.00 0.00 C ATOM 0 HA PRO A 63 8.082 -3.923 -2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.404 -1.702 -2.217 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.478 -2.057 -0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.832 -0.091 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.223 0.091 -1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.124 -0.477 -3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.271 -1.008 -1.641 1.00 0.00 H new ATOM 951 N GLU A 64 6.881 -4.389 -4.272 1.00 0.00 N ATOM 952 CA GLU A 64 6.096 -4.741 -5.441 1.00 0.00 C ATOM 953 C GLU A 64 4.685 -5.120 -5.014 1.00 0.00 C ATOM 954 O GLU A 64 4.476 -5.589 -3.892 1.00 0.00 O ATOM 955 CB GLU A 64 6.741 -5.911 -6.189 1.00 0.00 C ATOM 956 CG GLU A 64 8.116 -5.598 -6.758 1.00 0.00 C ATOM 957 CD GLU A 64 8.083 -4.513 -7.816 1.00 0.00 C ATOM 958 OE1 GLU A 64 7.059 -4.387 -8.519 1.00 0.00 O ATOM 959 OE2 GLU A 64 9.097 -3.802 -7.978 1.00 0.00 O ATOM 0 H GLU A 64 7.039 -5.164 -3.628 1.00 0.00 H new ATOM 0 HA GLU A 64 6.057 -3.880 -6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.824 -6.761 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.083 -6.216 -7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.777 -5.289 -5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.541 -6.505 -7.188 1.00 0.00 H new ATOM 966 N LEU A 65 3.727 -4.920 -5.903 1.00 0.00 N ATOM 967 CA LEU A 65 2.337 -5.242 -5.623 1.00 0.00 C ATOM 968 C LEU A 65 1.962 -6.562 -6.278 1.00 0.00 C ATOM 969 O LEU A 65 2.288 -6.803 -7.443 1.00 0.00 O ATOM 970 CB LEU A 65 1.401 -4.131 -6.124 1.00 0.00 C ATOM 971 CG LEU A 65 1.540 -2.773 -5.422 1.00 0.00 C ATOM 972 CD1 LEU A 65 2.736 -1.995 -5.951 1.00 0.00 C ATOM 973 CD2 LEU A 65 0.267 -1.956 -5.575 1.00 0.00 C ATOM 0 H LEU A 65 3.888 -4.533 -6.833 1.00 0.00 H new ATOM 0 HA LEU A 65 2.223 -5.329 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.577 -3.987 -7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.372 -4.472 -6.014 1.00 0.00 H new ATOM 0 HG LEU A 65 1.706 -2.965 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.806 -1.038 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.647 -2.568 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.613 -1.821 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.387 -0.997 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.068 -1.786 -6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.568 -2.498 -5.131 1.00 0.00 H new ATOM 985 N THR A 66 1.285 -7.415 -5.530 1.00 0.00 N ATOM 986 CA THR A 66 0.851 -8.697 -6.052 1.00 0.00 C ATOM 987 C THR A 66 -0.413 -8.513 -6.881 1.00 0.00 C ATOM 988 O THR A 66 -1.104 -7.501 -6.742 1.00 0.00 O ATOM 989 CB THR A 66 0.575 -9.702 -4.914 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.510 -9.240 -4.096 1.00 0.00 O ATOM 991 CG2 THR A 66 1.813 -9.894 -4.048 1.00 0.00 C ATOM 0 H THR A 66 1.024 -7.242 -4.559 1.00 0.00 H new ATOM 0 HA THR A 66 1.651 -9.095 -6.675 1.00 0.00 H new ATOM 0 HB THR A 66 0.309 -10.657 -5.366 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.459 -9.665 -3.214 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.594 -10.607 -3.253 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.630 -10.274 -4.661 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.102 -8.939 -3.610 1.00 0.00 H new ATOM 999 N GLU A 67 -0.729 -9.479 -7.738 1.00 0.00 N ATOM 1000 CA GLU A 67 -1.958 -9.400 -8.511 1.00 0.00 C ATOM 1001 C GLU A 67 -3.148 -9.584 -7.579 1.00 0.00 C ATOM 1002 O GLU A 67 -4.267 -9.202 -7.899 1.00 0.00 O ATOM 1003 CB GLU A 67 -1.998 -10.435 -9.638 1.00 0.00 C ATOM 1004 CG GLU A 67 -2.220 -11.859 -9.169 1.00 0.00 C ATOM 1005 CD GLU A 67 -2.373 -12.818 -10.325 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -3.473 -12.878 -10.908 1.00 0.00 O ATOM 1007 OE2 GLU A 67 -1.390 -13.504 -10.671 1.00 0.00 O ATOM 0 H GLU A 67 -0.162 -10.309 -7.911 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.001 -8.418 -8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.792 -10.166 -10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.060 -10.389 -10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.380 -12.171 -8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.112 -11.900 -8.544 1.00 0.00 H new ATOM 1014 N LYS A 68 -2.882 -10.170 -6.417 1.00 0.00 N ATOM 1015 CA LYS A 68 -3.875 -10.295 -5.361 1.00 0.00 C ATOM 1016 C LYS A 68 -4.344 -8.900 -4.954 1.00 0.00 C ATOM 1017 O LYS A 68 -5.544 -8.622 -4.889 1.00 0.00 O ATOM 1018 CB LYS A 68 -3.250 -11.039 -4.172 1.00 0.00 C ATOM 1019 CG LYS A 68 -4.231 -11.469 -3.090 1.00 0.00 C ATOM 1020 CD LYS A 68 -3.528 -12.324 -2.046 1.00 0.00 C ATOM 1021 CE LYS A 68 -4.489 -12.896 -1.018 1.00 0.00 C ATOM 1022 NZ LYS A 68 -5.074 -11.849 -0.139 1.00 0.00 N ATOM 0 H LYS A 68 -1.974 -10.570 -6.183 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.738 -10.863 -5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.736 -11.924 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.493 -10.398 -3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.667 -10.590 -2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.052 -12.031 -3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.004 -13.141 -2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.773 -11.724 -1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.292 -13.425 -1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.965 -13.629 -0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.251 -12.247 0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.411 -11.052 -0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.970 -11.514 -0.547 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.381 -8.016 -4.725 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.697 -6.639 -4.411 1.00 0.00 C ATOM 1038 C GLY A 69 -4.144 -5.869 -5.637 1.00 0.00 C ATOM 1039 O GLY A 69 -5.017 -5.010 -5.554 1.00 0.00 O ATOM 0 H GLY A 69 -2.384 -8.231 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.484 -6.610 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.822 -6.155 -3.977 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.551 -6.193 -6.779 1.00 0.00 N ATOM 1044 CA GLU A 70 -3.874 -5.526 -8.036 1.00 0.00 C ATOM 1045 C GLU A 70 -5.335 -5.771 -8.425 1.00 0.00 C ATOM 1046 O GLU A 70 -6.033 -4.850 -8.845 1.00 0.00 O ATOM 1047 CB GLU A 70 -2.936 -6.015 -9.142 1.00 0.00 C ATOM 1048 CG GLU A 70 -2.990 -5.173 -10.404 1.00 0.00 C ATOM 1049 CD GLU A 70 -2.052 -5.681 -11.476 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -0.821 -5.644 -11.261 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -2.543 -6.112 -12.541 1.00 0.00 O ATOM 0 H GLU A 70 -2.839 -6.919 -6.861 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.737 -4.453 -7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.914 -6.021 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.189 -7.045 -9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.009 -5.167 -10.790 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.735 -4.142 -10.161 1.00 0.00 H new ATOM 1058 N ASN A 71 -5.795 -7.010 -8.274 1.00 0.00 N ATOM 1059 CA ASN A 71 -7.191 -7.346 -8.558 1.00 0.00 C ATOM 1060 C ASN A 71 -8.115 -6.676 -7.552 1.00 0.00 C ATOM 1061 O ASN A 71 -9.239 -6.304 -7.877 1.00 0.00 O ATOM 1062 CB ASN A 71 -7.418 -8.862 -8.538 1.00 0.00 C ATOM 1063 CG ASN A 71 -7.043 -9.535 -9.844 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -7.867 -9.647 -10.752 1.00 0.00 O ATOM 1065 ND2 ASN A 71 -5.806 -9.999 -9.942 1.00 0.00 N ATOM 0 H ASN A 71 -5.226 -7.796 -7.958 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.420 -6.979 -9.558 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.834 -9.301 -7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.467 -9.064 -8.320 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.504 -10.471 -10.795 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.155 -9.885 -9.165 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.632 -6.526 -6.326 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.369 -5.810 -5.293 1.00 0.00 C ATOM 1074 C TYR A 72 -8.522 -4.340 -5.696 1.00 0.00 C ATOM 1075 O TYR A 72 -9.556 -3.715 -5.453 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.613 -5.936 -3.968 1.00 0.00 C ATOM 1077 CG TYR A 72 -8.424 -5.630 -2.727 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -9.691 -6.173 -2.545 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -7.903 -4.826 -1.720 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -10.419 -5.916 -1.397 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -8.623 -4.571 -0.565 1.00 0.00 C ATOM 1082 CZ TYR A 72 -9.880 -5.116 -0.410 1.00 0.00 C ATOM 1083 OH TYR A 72 -10.599 -4.865 0.740 1.00 0.00 O ATOM 0 H TYR A 72 -6.730 -6.892 -6.022 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.365 -6.237 -5.175 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.224 -6.951 -3.886 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.754 -5.266 -3.994 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -10.113 -6.805 -3.312 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.921 -4.393 -1.840 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.405 -6.340 -1.274 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.202 -3.948 0.211 1.00 0.00 H new ATOM 0 HH TYR A 72 -10.076 -4.285 1.333 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.486 -3.818 -6.347 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.447 -2.431 -6.810 1.00 0.00 C ATOM 1095 C LEU A 73 -8.326 -2.204 -8.035 1.00 0.00 C ATOM 1096 O LEU A 73 -8.660 -1.065 -8.358 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.014 -2.017 -7.124 1.00 0.00 C ATOM 1098 CG LEU A 73 -5.114 -1.845 -5.906 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -3.696 -1.499 -6.330 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -5.680 -0.772 -4.993 1.00 0.00 C ATOM 0 H LEU A 73 -6.644 -4.348 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.840 -1.815 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.571 -2.765 -7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.035 -1.078 -7.677 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.079 -2.787 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.070 -1.381 -5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.297 -2.300 -6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.703 -0.568 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.032 -0.654 -4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.737 0.173 -5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.678 -1.063 -4.664 1.00 0.00 H new ATOM 1112 N LYS A 74 -8.664 -3.278 -8.737 1.00 0.00 N ATOM 1113 CA LYS A 74 -9.499 -3.185 -9.933 1.00 0.00 C ATOM 1114 C LYS A 74 -10.796 -2.422 -9.637 1.00 0.00 C ATOM 1115 O LYS A 74 -11.276 -1.646 -10.461 1.00 0.00 O ATOM 1116 CB LYS A 74 -9.811 -4.587 -10.464 1.00 0.00 C ATOM 1117 CG LYS A 74 -10.521 -4.592 -11.807 1.00 0.00 C ATOM 1118 CD LYS A 74 -9.638 -4.030 -12.911 1.00 0.00 C ATOM 1119 CE LYS A 74 -10.378 -3.973 -14.236 1.00 0.00 C ATOM 1120 NZ LYS A 74 -11.561 -3.078 -14.170 1.00 0.00 N ATOM 0 H LYS A 74 -8.373 -4.227 -8.500 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.950 -2.632 -10.696 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.880 -5.146 -10.554 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.429 -5.112 -9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.816 -5.611 -12.059 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.436 -4.004 -11.737 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.302 -3.030 -12.637 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.747 -4.648 -13.016 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.701 -3.623 -15.015 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.697 -4.977 -14.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.878 -2.850 -15.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.329 -3.556 -13.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.306 -2.201 -13.673 1.00 0.00 H new ATOM 1134 N GLU A 75 -11.342 -2.635 -8.443 1.00 0.00 N ATOM 1135 CA GLU A 75 -12.548 -1.935 -8.006 1.00 0.00 C ATOM 1136 C GLU A 75 -12.195 -0.578 -7.399 1.00 0.00 C ATOM 1137 O GLU A 75 -13.032 0.322 -7.306 1.00 0.00 O ATOM 1138 CB GLU A 75 -13.304 -2.783 -6.983 1.00 0.00 C ATOM 1139 CG GLU A 75 -13.819 -4.100 -7.538 1.00 0.00 C ATOM 1140 CD GLU A 75 -14.846 -3.905 -8.631 1.00 0.00 C ATOM 1141 OE1 GLU A 75 -16.028 -3.663 -8.306 1.00 0.00 O ATOM 1142 OE2 GLU A 75 -14.482 -3.996 -9.823 1.00 0.00 O ATOM 0 H GLU A 75 -10.967 -3.290 -7.757 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.184 -1.770 -8.875 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.646 -2.988 -6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.146 -2.207 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.982 -4.678 -7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.259 -4.684 -6.730 1.00 0.00 H new ATOM 1149 N ASN A 76 -10.942 -0.438 -6.995 1.00 0.00 N ATOM 1150 CA ASN A 76 -10.467 0.769 -6.331 1.00 0.00 C ATOM 1151 C ASN A 76 -10.180 1.861 -7.360 1.00 0.00 C ATOM 1152 O ASN A 76 -9.954 3.020 -7.012 1.00 0.00 O ATOM 1153 CB ASN A 76 -9.201 0.456 -5.521 1.00 0.00 C ATOM 1154 CG ASN A 76 -8.856 1.530 -4.504 1.00 0.00 C ATOM 1155 OD1 ASN A 76 -7.689 1.791 -4.237 1.00 0.00 O ATOM 1156 ND2 ASN A 76 -9.866 2.134 -3.902 1.00 0.00 N ATOM 0 H ASN A 76 -10.227 -1.155 -7.117 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.241 1.127 -5.652 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.335 -0.494 -5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.362 0.331 -6.206 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.686 2.842 -3.190 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.826 1.892 -4.149 1.00 0.00 H new ATOM 1163 N GLY A 77 -10.207 1.480 -8.635 1.00 0.00 N ATOM 1164 CA GLY A 77 -9.960 2.429 -9.707 1.00 0.00 C ATOM 1165 C GLY A 77 -11.002 3.532 -9.772 1.00 0.00 C ATOM 1166 O GLY A 77 -10.748 4.595 -10.331 1.00 0.00 O ATOM 0 H GLY A 77 -10.396 0.527 -8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.975 2.875 -9.571 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.941 1.898 -10.659 1.00 0.00 H new ATOM 1170 N THR A 78 -12.172 3.289 -9.194 1.00 0.00 N ATOM 1171 CA THR A 78 -13.231 4.286 -9.184 1.00 0.00 C ATOM 1172 C THR A 78 -13.287 5.001 -7.829 1.00 0.00 C ATOM 1173 O THR A 78 -14.302 5.593 -7.459 1.00 0.00 O ATOM 1174 CB THR A 78 -14.604 3.654 -9.520 1.00 0.00 C ATOM 1175 OG1 THR A 78 -15.614 4.669 -9.610 1.00 0.00 O ATOM 1176 CG2 THR A 78 -15.008 2.618 -8.479 1.00 0.00 C ATOM 0 H THR A 78 -12.409 2.413 -8.728 1.00 0.00 H new ATOM 0 HA THR A 78 -13.003 5.020 -9.957 1.00 0.00 H new ATOM 0 HB THR A 78 -14.509 3.153 -10.483 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.527 5.285 -8.853 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.976 2.194 -8.745 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.261 1.825 -8.446 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.076 3.093 -7.500 1.00 0.00 H new ATOM 1184 N TRP A 79 -12.179 4.947 -7.101 1.00 0.00 N ATOM 1185 CA TRP A 79 -12.062 5.635 -5.823 1.00 0.00 C ATOM 1186 C TRP A 79 -11.179 6.868 -5.994 1.00 0.00 C ATOM 1187 O TRP A 79 -10.085 6.783 -6.558 1.00 0.00 O ATOM 1188 CB TRP A 79 -11.468 4.692 -4.765 1.00 0.00 C ATOM 1189 CG TRP A 79 -11.609 5.179 -3.350 1.00 0.00 C ATOM 1190 CD1 TRP A 79 -11.125 6.343 -2.822 1.00 0.00 C ATOM 1191 CD2 TRP A 79 -12.266 4.498 -2.273 1.00 0.00 C ATOM 1192 NE1 TRP A 79 -11.463 6.437 -1.495 1.00 0.00 N ATOM 1193 CE2 TRP A 79 -12.159 5.316 -1.134 1.00 0.00 C ATOM 1194 CE3 TRP A 79 -12.945 3.278 -2.164 1.00 0.00 C ATOM 1195 CZ2 TRP A 79 -12.700 4.957 0.097 1.00 0.00 C ATOM 1196 CZ3 TRP A 79 -13.480 2.921 -0.940 1.00 0.00 C ATOM 1197 CH2 TRP A 79 -13.356 3.758 0.175 1.00 0.00 C ATOM 0 H TRP A 79 -11.344 4.430 -7.377 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.051 5.946 -5.486 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -11.951 3.719 -4.851 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -10.410 4.543 -4.981 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -10.559 7.082 -3.370 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -11.233 7.216 -0.878 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -13.049 2.628 -3.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.606 5.601 0.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -14.002 1.981 -0.843 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -13.787 3.451 1.117 1.00 0.00 H new ATOM 1208 N SER A 80 -11.647 8.007 -5.511 1.00 0.00 N ATOM 1209 CA SER A 80 -10.912 9.251 -5.660 1.00 0.00 C ATOM 1210 C SER A 80 -10.552 9.822 -4.291 1.00 0.00 C ATOM 1211 O SER A 80 -11.163 9.475 -3.284 1.00 0.00 O ATOM 1212 CB SER A 80 -11.745 10.259 -6.463 1.00 0.00 C ATOM 1213 OG SER A 80 -11.057 11.489 -6.626 1.00 0.00 O ATOM 0 H SER A 80 -12.532 8.095 -5.012 1.00 0.00 H new ATOM 0 HA SER A 80 -9.987 9.052 -6.202 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.981 9.840 -7.441 1.00 0.00 H new ATOM 0 HB3 SER A 80 -12.693 10.436 -5.955 1.00 0.00 H new ATOM 0 HG SER A 80 -11.613 12.109 -7.143 1.00 0.00 H new ATOM 1219 N LYS A 81 -9.552 10.695 -4.255 1.00 0.00 N ATOM 1220 CA LYS A 81 -9.159 11.353 -3.018 1.00 0.00 C ATOM 1221 C LYS A 81 -9.850 12.707 -2.902 1.00 0.00 C ATOM 1222 O LYS A 81 -9.330 13.640 -2.287 1.00 0.00 O ATOM 1223 CB LYS A 81 -7.635 11.500 -2.943 1.00 0.00 C ATOM 1224 CG LYS A 81 -6.925 10.172 -2.720 1.00 0.00 C ATOM 1225 CD LYS A 81 -5.411 10.319 -2.673 1.00 0.00 C ATOM 1226 CE LYS A 81 -4.947 11.182 -1.509 1.00 0.00 C ATOM 1227 NZ LYS A 81 -3.481 11.055 -1.279 1.00 0.00 N ATOM 0 H LYS A 81 -8.999 10.963 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.473 10.736 -2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.272 11.950 -3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.380 12.184 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.273 9.731 -1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.195 9.481 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.955 9.332 -2.594 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.062 10.757 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.195 12.225 -1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.484 10.893 -0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.312 10.602 -0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.060 10.475 -2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.046 11.999 -1.285 1.00 0.00 H new ATOM 1241 N ALA A 82 -11.028 12.795 -3.508 1.00 0.00 N ATOM 1242 CA ALA A 82 -11.888 13.959 -3.373 1.00 0.00 C ATOM 1243 C ALA A 82 -12.828 13.759 -2.186 1.00 0.00 C ATOM 1244 O ALA A 82 -12.513 12.982 -1.286 1.00 0.00 O ATOM 1245 CB ALA A 82 -12.672 14.180 -4.659 1.00 0.00 C ATOM 0 H ALA A 82 -11.411 12.062 -4.105 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.281 14.846 -3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.314 15.054 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.979 14.341 -5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.286 13.303 -4.866 1.00 0.00 H new TER 1251 ALA A 82