USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 533 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 38 ASN : amide:sc= 0.927 K(o=2.2,f=-2.2) USER MOD Set 1.2: A 51 TYR OH : rot 16:sc= 1.27 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= -0.213 USER MOD Set 2.2: A 32 GLN : amide:sc= 0.668 K(o=0.46,f=-7.5!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 154:sc= 1.44 (180deg=1.09) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.145 F(o=-1.2,f=-0.15) USER MOD Single : A 19 THR OG1 : rot 12:sc= 0.955 USER MOD Single : A 22 SER OG : rot 58:sc= 0.745 USER MOD Single : A 24 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= -0.0417 (180deg=-0.286) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 57 HIS :FLIP no HE2:sc= 0.241 F(o=-0.81,f=0.24) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 165:sc= -0.0257 (180deg=-0.245) USER MOD Single : A 66 THR OG1 : rot -160:sc= 1.82 USER MOD Single : A 68 LYS NZ :NH3+ -152:sc= 1.21 (180deg=0.425) USER MOD Single : A 71 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -118:sc= 0.00287 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 6 -8.878 2.890 4.219 1.00 0.00 N ATOM 24 CA LEU A 6 -7.695 3.516 3.641 1.00 0.00 C ATOM 25 C LEU A 6 -6.759 2.478 3.025 1.00 0.00 C ATOM 26 O LEU A 6 -5.690 2.826 2.528 1.00 0.00 O ATOM 27 CB LEU A 6 -6.929 4.340 4.688 1.00 0.00 C ATOM 28 CG LEU A 6 -7.628 5.612 5.191 1.00 0.00 C ATOM 29 CD1 LEU A 6 -8.225 6.400 4.032 1.00 0.00 C ATOM 30 CD2 LEU A 6 -8.692 5.279 6.228 1.00 0.00 C ATOM 0 HA LEU A 6 -8.045 4.184 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.724 3.699 5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.966 4.623 4.264 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.877 6.238 5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.714 7.296 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.433 6.687 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.956 5.782 3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.170 6.198 6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.440 4.623 5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.228 4.777 7.077 1.00 0.00 H new ATOM 42 N ARG A 7 -7.163 1.209 3.040 1.00 0.00 N ATOM 43 CA ARG A 7 -6.294 0.135 2.555 1.00 0.00 C ATOM 44 C ARG A 7 -6.093 0.265 1.051 1.00 0.00 C ATOM 45 O ARG A 7 -4.963 0.354 0.571 1.00 0.00 O ATOM 46 CB ARG A 7 -6.882 -1.240 2.875 1.00 0.00 C ATOM 47 CG ARG A 7 -7.344 -1.409 4.315 1.00 0.00 C ATOM 48 CD ARG A 7 -6.198 -1.436 5.306 1.00 0.00 C ATOM 49 NE ARG A 7 -6.694 -1.609 6.669 1.00 0.00 N ATOM 50 CZ ARG A 7 -5.918 -1.652 7.753 1.00 0.00 C ATOM 51 NH1 ARG A 7 -4.603 -1.584 7.643 1.00 0.00 N ATOM 52 NH2 ARG A 7 -6.457 -1.767 8.957 1.00 0.00 N ATOM 0 H ARG A 7 -8.075 0.900 3.378 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.334 0.226 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.727 -1.423 2.212 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.134 -2.001 2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.020 -0.593 4.572 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.914 -2.334 4.402 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.515 -2.248 5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.629 -0.509 5.236 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.701 -1.703 6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.172 -1.498 6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.019 -1.618 8.479 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.470 -1.823 9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.859 -1.799 9.783 1.00 0.00 H new ATOM 66 N TYR A 8 -7.199 0.284 0.312 1.00 0.00 N ATOM 67 CA TYR A 8 -7.147 0.469 -1.133 1.00 0.00 C ATOM 68 C TYR A 8 -6.557 1.829 -1.482 1.00 0.00 C ATOM 69 O TYR A 8 -5.766 1.952 -2.419 1.00 0.00 O ATOM 70 CB TYR A 8 -8.546 0.338 -1.752 1.00 0.00 C ATOM 71 CG TYR A 8 -8.661 1.012 -3.103 1.00 0.00 C ATOM 72 CD1 TYR A 8 -8.180 0.402 -4.253 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.221 2.279 -3.217 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.251 1.037 -5.476 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.301 2.916 -4.437 1.00 0.00 C ATOM 76 CZ TYR A 8 -8.812 2.292 -5.562 1.00 0.00 C ATOM 77 OH TYR A 8 -8.877 2.928 -6.777 1.00 0.00 O ATOM 0 H TYR A 8 -8.140 0.174 0.690 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.506 -0.311 -1.544 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.793 -0.718 -1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.280 0.771 -1.072 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -7.744 -0.584 -4.190 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.600 2.773 -2.335 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.868 0.552 -6.362 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.744 3.898 -4.509 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.302 3.804 -6.665 1.00 0.00 H new ATOM 87 N ALA A 9 -6.947 2.844 -0.722 1.00 0.00 N ATOM 88 CA ALA A 9 -6.541 4.211 -1.001 1.00 0.00 C ATOM 89 C ALA A 9 -5.020 4.348 -1.009 1.00 0.00 C ATOM 90 O ALA A 9 -4.450 4.956 -1.918 1.00 0.00 O ATOM 91 CB ALA A 9 -7.182 5.157 0.004 1.00 0.00 C ATOM 0 H ALA A 9 -7.547 2.743 0.096 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.889 4.481 -1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.873 6.180 -0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.267 5.083 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.865 4.887 1.011 1.00 0.00 H new ATOM 97 N ILE A 10 -4.365 3.753 -0.019 1.00 0.00 N ATOM 98 CA ILE A 10 -2.912 3.784 0.054 1.00 0.00 C ATOM 99 C ILE A 10 -2.295 2.901 -1.032 1.00 0.00 C ATOM 100 O ILE A 10 -1.297 3.275 -1.648 1.00 0.00 O ATOM 101 CB ILE A 10 -2.408 3.351 1.450 1.00 0.00 C ATOM 102 CG1 ILE A 10 -2.885 4.353 2.509 1.00 0.00 C ATOM 103 CG2 ILE A 10 -0.888 3.232 1.466 1.00 0.00 C ATOM 104 CD1 ILE A 10 -2.423 4.033 3.914 1.00 0.00 C ATOM 0 H ILE A 10 -4.817 3.245 0.741 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.597 4.814 -0.113 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.821 2.369 1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.530 5.348 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.974 4.389 2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.557 2.926 2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.574 2.488 0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.445 4.196 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.802 4.788 4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.800 3.053 4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.333 4.027 3.946 1.00 0.00 H new ATOM 116 N LEU A 11 -2.910 1.744 -1.285 1.00 0.00 N ATOM 117 CA LEU A 11 -2.451 0.846 -2.347 1.00 0.00 C ATOM 118 C LEU A 11 -2.411 1.561 -3.692 1.00 0.00 C ATOM 119 O LEU A 11 -1.444 1.440 -4.443 1.00 0.00 O ATOM 120 CB LEU A 11 -3.357 -0.379 -2.456 1.00 0.00 C ATOM 121 CG LEU A 11 -2.875 -1.622 -1.712 1.00 0.00 C ATOM 122 CD1 LEU A 11 -3.927 -2.717 -1.778 1.00 0.00 C ATOM 123 CD2 LEU A 11 -1.564 -2.117 -2.299 1.00 0.00 C ATOM 0 H LEU A 11 -3.724 1.407 -0.771 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.443 0.525 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.345 -0.113 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.473 -0.630 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.710 -1.358 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.570 -3.597 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.850 -2.363 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.117 -2.977 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.234 -3.003 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.707 -2.367 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.808 -1.336 -2.211 1.00 0.00 H new ATOM 135 N LYS A 12 -3.466 2.308 -3.987 1.00 0.00 N ATOM 136 CA LYS A 12 -3.550 3.051 -5.234 1.00 0.00 C ATOM 137 C LYS A 12 -2.438 4.094 -5.312 1.00 0.00 C ATOM 138 O LYS A 12 -1.853 4.316 -6.373 1.00 0.00 O ATOM 139 CB LYS A 12 -4.904 3.743 -5.354 1.00 0.00 C ATOM 140 CG LYS A 12 -5.107 4.431 -6.693 1.00 0.00 C ATOM 141 CD LYS A 12 -5.957 5.680 -6.558 1.00 0.00 C ATOM 142 CE LYS A 12 -5.270 6.725 -5.688 1.00 0.00 C ATOM 143 NZ LYS A 12 -3.906 7.057 -6.191 1.00 0.00 N ATOM 0 H LYS A 12 -4.277 2.415 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.435 2.344 -6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.695 3.008 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.001 4.479 -4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.138 4.694 -7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.583 3.740 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.153 6.098 -7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.923 5.420 -6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.877 7.630 -5.660 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.200 6.356 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.650 8.019 -5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.219 6.379 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.897 7.005 -7.230 1.00 0.00 H new ATOM 157 N GLU A 13 -2.158 4.738 -4.182 1.00 0.00 N ATOM 158 CA GLU A 13 -1.098 5.740 -4.114 1.00 0.00 C ATOM 159 C GLU A 13 0.258 5.095 -4.369 1.00 0.00 C ATOM 160 O GLU A 13 1.128 5.685 -5.002 1.00 0.00 O ATOM 161 CB GLU A 13 -1.094 6.431 -2.751 1.00 0.00 C ATOM 162 CG GLU A 13 -1.305 7.935 -2.827 1.00 0.00 C ATOM 163 CD GLU A 13 -2.677 8.312 -3.347 1.00 0.00 C ATOM 164 OE1 GLU A 13 -3.653 8.233 -2.575 1.00 0.00 O ATOM 165 OE2 GLU A 13 -2.786 8.704 -4.527 1.00 0.00 O ATOM 0 H GLU A 13 -2.650 4.584 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.288 6.487 -4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.876 5.994 -2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.144 6.231 -2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.166 8.367 -1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.544 8.371 -3.474 1.00 0.00 H new ATOM 172 N ILE A 14 0.431 3.880 -3.869 1.00 0.00 N ATOM 173 CA ILE A 14 1.646 3.116 -4.115 1.00 0.00 C ATOM 174 C ILE A 14 1.755 2.757 -5.596 1.00 0.00 C ATOM 175 O ILE A 14 2.815 2.905 -6.206 1.00 0.00 O ATOM 176 CB ILE A 14 1.679 1.821 -3.265 1.00 0.00 C ATOM 177 CG1 ILE A 14 1.684 2.164 -1.770 1.00 0.00 C ATOM 178 CG2 ILE A 14 2.890 0.968 -3.623 1.00 0.00 C ATOM 179 CD1 ILE A 14 1.642 0.951 -0.861 1.00 0.00 C ATOM 0 H ILE A 14 -0.257 3.401 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 14 2.493 3.739 -3.828 1.00 0.00 H new ATOM 0 HB ILE A 14 0.781 1.243 -3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.578 2.745 -1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.827 2.800 -1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.892 0.064 -3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.844 0.694 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.802 1.534 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.648 1.276 0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.734 0.380 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.513 0.324 -1.051 1.00 0.00 H new ATOM 191 N PHE A 15 0.636 2.320 -6.163 1.00 0.00 N ATOM 192 CA PHE A 15 0.590 1.844 -7.542 1.00 0.00 C ATOM 193 C PHE A 15 1.053 2.907 -8.539 1.00 0.00 C ATOM 194 O PHE A 15 1.910 2.643 -9.381 1.00 0.00 O ATOM 195 CB PHE A 15 -0.831 1.393 -7.888 1.00 0.00 C ATOM 196 CG PHE A 15 -0.976 0.841 -9.280 1.00 0.00 C ATOM 197 CD1 PHE A 15 -0.623 -0.469 -9.557 1.00 0.00 C ATOM 198 CD2 PHE A 15 -1.472 1.630 -10.308 1.00 0.00 C ATOM 199 CE1 PHE A 15 -0.761 -0.983 -10.832 1.00 0.00 C ATOM 200 CE2 PHE A 15 -1.610 1.121 -11.585 1.00 0.00 C ATOM 201 CZ PHE A 15 -1.254 -0.188 -11.847 1.00 0.00 C ATOM 0 H PHE A 15 -0.263 2.285 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 15 1.278 1.002 -7.619 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.144 0.633 -7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.508 2.239 -7.771 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.235 -1.096 -8.768 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.753 2.653 -10.108 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.483 -2.007 -11.034 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.996 1.745 -12.377 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.361 -0.589 -12.844 1.00 0.00 H new ATOM 211 N GLU A 16 0.497 4.108 -8.441 1.00 0.00 N ATOM 212 CA GLU A 16 0.815 5.155 -9.408 1.00 0.00 C ATOM 213 C GLU A 16 1.918 6.075 -8.893 1.00 0.00 C ATOM 214 O GLU A 16 2.564 6.779 -9.670 1.00 0.00 O ATOM 215 CB GLU A 16 -0.435 5.968 -9.769 1.00 0.00 C ATOM 216 CG GLU A 16 -1.013 6.779 -8.622 1.00 0.00 C ATOM 217 CD GLU A 16 -2.192 7.629 -9.056 1.00 0.00 C ATOM 218 OE1 GLU A 16 -1.974 8.651 -9.739 1.00 0.00 O ATOM 219 OE2 GLU A 16 -3.344 7.275 -8.718 1.00 0.00 O ATOM 0 H GLU A 16 -0.166 4.380 -7.715 1.00 0.00 H new ATOM 0 HA GLU A 16 1.180 4.664 -10.310 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.189 6.644 -10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.202 5.287 -10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.327 6.105 -7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.237 7.422 -8.207 1.00 0.00 H new ATOM 226 N GLY A 17 2.134 6.060 -7.582 1.00 0.00 N ATOM 227 CA GLY A 17 3.155 6.898 -6.985 1.00 0.00 C ATOM 228 C GLY A 17 4.551 6.382 -7.253 1.00 0.00 C ATOM 229 O GLY A 17 5.508 7.153 -7.250 1.00 0.00 O ATOM 0 H GLY A 17 1.618 5.480 -6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.064 7.912 -7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.992 6.955 -5.909 1.00 0.00 H new ATOM 233 N ASN A 18 4.657 5.065 -7.452 1.00 0.00 N ATOM 234 CA ASN A 18 5.920 4.404 -7.811 1.00 0.00 C ATOM 235 C ASN A 18 6.869 4.317 -6.609 1.00 0.00 C ATOM 236 O ASN A 18 7.949 3.735 -6.708 1.00 0.00 O ATOM 237 CB ASN A 18 6.589 5.128 -8.995 1.00 0.00 C ATOM 238 CG ASN A 18 7.780 4.382 -9.576 1.00 0.00 C ATOM 239 OD1 ASN A 18 7.745 3.060 -9.520 1.00 0.00 O flip ATOM 240 ND2 ASN A 18 8.716 4.993 -10.096 1.00 0.00 N flip ATOM 0 H ASN A 18 3.868 4.423 -7.369 1.00 0.00 H new ATOM 0 HA ASN A 18 5.691 3.383 -8.118 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.849 5.280 -9.781 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.915 6.115 -8.668 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.708 6.013 -10.121 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.498 4.479 -10.502 1.00 0.00 H new ATOM 247 N THR A 19 6.423 4.873 -5.475 1.00 0.00 N ATOM 248 CA THR A 19 7.158 4.876 -4.197 1.00 0.00 C ATOM 249 C THR A 19 8.528 5.569 -4.284 1.00 0.00 C ATOM 250 O THR A 19 9.140 5.651 -5.348 1.00 0.00 O ATOM 251 CB THR A 19 7.311 3.455 -3.581 1.00 0.00 C ATOM 252 OG1 THR A 19 7.955 2.550 -4.483 1.00 0.00 O ATOM 253 CG2 THR A 19 5.954 2.892 -3.185 1.00 0.00 C ATOM 0 H THR A 19 5.521 5.345 -5.416 1.00 0.00 H new ATOM 0 HA THR A 19 6.534 5.467 -3.526 1.00 0.00 H new ATOM 0 HB THR A 19 7.936 3.559 -2.694 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.344 3.053 -5.229 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.083 1.898 -2.757 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.489 3.547 -2.448 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.316 2.827 -4.066 1.00 0.00 H new ATOM 261 N PRO A 20 9.024 6.106 -3.153 1.00 0.00 N ATOM 262 CA PRO A 20 8.342 6.061 -1.858 1.00 0.00 C ATOM 263 C PRO A 20 7.279 7.150 -1.722 1.00 0.00 C ATOM 264 O PRO A 20 7.231 8.083 -2.521 1.00 0.00 O ATOM 265 CB PRO A 20 9.470 6.314 -0.844 1.00 0.00 C ATOM 266 CG PRO A 20 10.722 6.524 -1.640 1.00 0.00 C ATOM 267 CD PRO A 20 10.298 6.815 -3.050 1.00 0.00 C ATOM 0 HA PRO A 20 7.818 5.116 -1.716 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.250 7.187 -0.230 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.579 5.467 -0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.304 7.351 -1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.357 5.639 -1.602 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.182 7.884 -3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.025 6.450 -3.775 1.00 0.00 H new ATOM 275 N LEU A 21 6.435 7.029 -0.706 1.00 0.00 N ATOM 276 CA LEU A 21 5.429 8.041 -0.426 1.00 0.00 C ATOM 277 C LEU A 21 5.297 8.243 1.076 1.00 0.00 C ATOM 278 O LEU A 21 5.525 7.317 1.855 1.00 0.00 O ATOM 279 CB LEU A 21 4.063 7.672 -1.029 1.00 0.00 C ATOM 280 CG LEU A 21 3.398 6.405 -0.473 1.00 0.00 C ATOM 281 CD1 LEU A 21 1.894 6.468 -0.679 1.00 0.00 C ATOM 282 CD2 LEU A 21 3.954 5.164 -1.152 1.00 0.00 C ATOM 0 H LEU A 21 6.428 6.238 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 21 5.757 8.970 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.383 8.511 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.185 7.551 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 21 3.614 6.348 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.434 5.564 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.492 7.338 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.676 6.547 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.469 4.277 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.764 5.220 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.028 5.104 -0.977 1.00 0.00 H new ATOM 294 N SER A 22 4.959 9.458 1.471 1.00 0.00 N ATOM 295 CA SER A 22 4.773 9.783 2.875 1.00 0.00 C ATOM 296 C SER A 22 3.367 9.446 3.327 1.00 0.00 C ATOM 297 O SER A 22 2.467 9.211 2.519 1.00 0.00 O ATOM 298 CB SER A 22 5.039 11.266 3.117 1.00 0.00 C ATOM 299 OG SER A 22 4.719 11.673 4.437 1.00 0.00 O ATOM 0 H SER A 22 4.807 10.241 0.835 1.00 0.00 H new ATOM 0 HA SER A 22 5.481 9.188 3.451 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.090 11.479 2.921 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.457 11.855 2.409 1.00 0.00 H new ATOM 0 HG SER A 22 5.230 11.135 5.078 1.00 0.00 H new ATOM 305 N GLU A 23 3.192 9.460 4.627 1.00 0.00 N ATOM 306 CA GLU A 23 1.895 9.211 5.226 1.00 0.00 C ATOM 307 C GLU A 23 1.058 10.477 5.170 1.00 0.00 C ATOM 308 O GLU A 23 -0.098 10.459 4.741 1.00 0.00 O ATOM 309 CB GLU A 23 2.004 8.717 6.680 1.00 0.00 C ATOM 310 CG GLU A 23 3.424 8.586 7.216 1.00 0.00 C ATOM 311 CD GLU A 23 4.126 9.919 7.358 1.00 0.00 C ATOM 312 OE1 GLU A 23 3.788 10.681 8.286 1.00 0.00 O ATOM 313 OE2 GLU A 23 5.011 10.212 6.527 1.00 0.00 O ATOM 0 H GLU A 23 3.937 9.643 5.299 1.00 0.00 H new ATOM 0 HA GLU A 23 1.415 8.418 4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.452 9.403 7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.514 7.746 6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.396 8.091 8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.001 7.947 6.548 1.00 0.00 H new ATOM 320 N ASN A 24 1.655 11.585 5.582 1.00 0.00 N ATOM 321 CA ASN A 24 0.971 12.871 5.558 1.00 0.00 C ATOM 322 C ASN A 24 0.712 13.284 4.117 1.00 0.00 C ATOM 323 O ASN A 24 -0.254 13.985 3.819 1.00 0.00 O ATOM 324 CB ASN A 24 1.805 13.945 6.264 1.00 0.00 C ATOM 325 CG ASN A 24 1.080 15.277 6.369 1.00 0.00 C ATOM 326 OD1 ASN A 24 -0.226 15.235 6.596 1.00 0.00 O flip ATOM 327 ND2 ASN A 24 1.694 16.338 6.266 1.00 0.00 N flip ATOM 0 H ASN A 24 2.611 11.621 5.937 1.00 0.00 H new ATOM 0 HA ASN A 24 0.023 12.770 6.086 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.065 13.598 7.264 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.740 14.087 5.723 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.699 16.331 6.091 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.198 17.225 6.355 1.00 0.00 H new ATOM 334 N ASP A 25 1.574 12.811 3.225 1.00 0.00 N ATOM 335 CA ASP A 25 1.488 13.152 1.811 1.00 0.00 C ATOM 336 C ASP A 25 0.305 12.439 1.158 1.00 0.00 C ATOM 337 O ASP A 25 -0.412 13.029 0.353 1.00 0.00 O ATOM 338 CB ASP A 25 2.792 12.786 1.100 1.00 0.00 C ATOM 339 CG ASP A 25 2.939 13.455 -0.253 1.00 0.00 C ATOM 340 OD1 ASP A 25 3.310 14.648 -0.290 1.00 0.00 O ATOM 341 OD2 ASP A 25 2.719 12.785 -1.283 1.00 0.00 O ATOM 0 H ASP A 25 2.345 12.186 3.459 1.00 0.00 H new ATOM 0 HA ASP A 25 1.331 14.227 1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.635 13.067 1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.838 11.705 0.971 1.00 0.00 H new ATOM 346 N ILE A 26 0.091 11.171 1.520 1.00 0.00 N ATOM 347 CA ILE A 26 -1.059 10.427 1.011 1.00 0.00 C ATOM 348 C ILE A 26 -2.342 10.910 1.702 1.00 0.00 C ATOM 349 O ILE A 26 -3.411 10.941 1.090 1.00 0.00 O ATOM 350 CB ILE A 26 -0.866 8.882 1.158 1.00 0.00 C ATOM 351 CG1 ILE A 26 -2.027 8.092 0.515 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.688 8.478 2.614 1.00 0.00 C ATOM 353 CD1 ILE A 26 -3.233 7.874 1.413 1.00 0.00 C ATOM 0 H ILE A 26 0.692 10.646 2.155 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.148 10.623 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 26 0.047 8.628 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.352 8.619 -0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.651 7.120 0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.557 7.398 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.190 8.976 3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.570 8.771 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.993 7.311 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.931 7.316 2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.642 8.839 1.713 1.00 0.00 H new ATOM 365 N GLY A 27 -2.226 11.310 2.969 1.00 0.00 N ATOM 366 CA GLY A 27 -3.360 11.900 3.663 1.00 0.00 C ATOM 367 C GLY A 27 -3.707 11.204 4.970 1.00 0.00 C ATOM 368 O GLY A 27 -4.823 11.344 5.469 1.00 0.00 O ATOM 0 H GLY A 27 -1.373 11.236 3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.144 12.949 3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.230 11.875 3.006 1.00 0.00 H new ATOM 372 N VAL A 28 -2.760 10.465 5.535 1.00 0.00 N ATOM 373 CA VAL A 28 -2.998 9.741 6.781 1.00 0.00 C ATOM 374 C VAL A 28 -1.879 10.009 7.786 1.00 0.00 C ATOM 375 O VAL A 28 -0.903 10.694 7.472 1.00 0.00 O ATOM 376 CB VAL A 28 -3.119 8.215 6.546 1.00 0.00 C ATOM 377 CG1 VAL A 28 -4.297 7.898 5.638 1.00 0.00 C ATOM 378 CG2 VAL A 28 -1.833 7.652 5.962 1.00 0.00 C ATOM 0 H VAL A 28 -1.821 10.350 5.152 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.944 10.105 7.183 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.293 7.741 7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.361 6.820 5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.218 8.256 6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.158 8.391 4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.943 6.579 5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.623 8.137 5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.009 7.836 6.652 1.00 0.00 H new ATOM 388 N THR A 29 -2.027 9.488 8.996 1.00 0.00 N ATOM 389 CA THR A 29 -0.980 9.597 10.001 1.00 0.00 C ATOM 390 C THR A 29 0.033 8.470 9.831 1.00 0.00 C ATOM 391 O THR A 29 -0.179 7.555 9.026 1.00 0.00 O ATOM 392 CB THR A 29 -1.558 9.565 11.432 1.00 0.00 C ATOM 393 OG1 THR A 29 -2.325 8.372 11.629 1.00 0.00 O ATOM 394 CG2 THR A 29 -2.434 10.783 11.690 1.00 0.00 C ATOM 0 H THR A 29 -2.860 8.987 9.305 1.00 0.00 H new ATOM 0 HA THR A 29 -0.486 10.558 9.857 1.00 0.00 H new ATOM 0 HB THR A 29 -0.724 9.579 12.134 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.685 8.362 12.540 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.830 10.738 12.705 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.841 11.690 11.572 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.260 10.795 10.979 1.00 0.00 H new ATOM 402 N GLU A 30 1.127 8.535 10.585 1.00 0.00 N ATOM 403 CA GLU A 30 2.183 7.531 10.497 1.00 0.00 C ATOM 404 C GLU A 30 1.626 6.149 10.794 1.00 0.00 C ATOM 405 O GLU A 30 1.781 5.218 10.007 1.00 0.00 O ATOM 406 CB GLU A 30 3.295 7.825 11.500 1.00 0.00 C ATOM 407 CG GLU A 30 3.594 9.297 11.673 1.00 0.00 C ATOM 408 CD GLU A 30 4.742 9.538 12.625 1.00 0.00 C ATOM 409 OE1 GLU A 30 4.555 9.344 13.845 1.00 0.00 O ATOM 410 OE2 GLU A 30 5.832 9.923 12.156 1.00 0.00 O ATOM 0 H GLU A 30 1.305 9.274 11.265 1.00 0.00 H new ATOM 0 HA GLU A 30 2.584 7.563 9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.018 7.405 12.467 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.204 7.315 11.179 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.831 9.734 10.703 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.704 9.806 12.043 1.00 0.00 H new ATOM 417 N ASP A 31 0.960 6.039 11.935 1.00 0.00 N ATOM 418 CA ASP A 31 0.459 4.761 12.425 1.00 0.00 C ATOM 419 C ASP A 31 -0.629 4.186 11.522 1.00 0.00 C ATOM 420 O ASP A 31 -0.769 2.966 11.422 1.00 0.00 O ATOM 421 CB ASP A 31 -0.047 4.911 13.859 1.00 0.00 C ATOM 422 CG ASP A 31 1.086 4.895 14.868 1.00 0.00 C ATOM 423 OD1 ASP A 31 1.730 5.946 15.073 1.00 0.00 O ATOM 424 OD2 ASP A 31 1.349 3.823 15.455 1.00 0.00 O ATOM 0 H ASP A 31 0.752 6.829 12.545 1.00 0.00 H new ATOM 0 HA ASP A 31 1.288 4.053 12.412 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.601 5.845 13.952 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.744 4.103 14.084 1.00 0.00 H new ATOM 429 N GLN A 32 -1.387 5.058 10.863 1.00 0.00 N ATOM 430 CA GLN A 32 -2.406 4.617 9.910 1.00 0.00 C ATOM 431 C GLN A 32 -1.749 4.014 8.672 1.00 0.00 C ATOM 432 O GLN A 32 -2.135 2.939 8.212 1.00 0.00 O ATOM 433 CB GLN A 32 -3.313 5.783 9.507 1.00 0.00 C ATOM 434 CG GLN A 32 -4.278 6.216 10.598 1.00 0.00 C ATOM 435 CD GLN A 32 -5.060 7.462 10.226 1.00 0.00 C ATOM 436 OE1 GLN A 32 -4.572 8.319 9.487 1.00 0.00 O ATOM 437 NE2 GLN A 32 -6.275 7.574 10.739 1.00 0.00 N ATOM 0 H GLN A 32 -1.317 6.070 10.969 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.017 3.854 10.393 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.692 6.634 9.226 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.883 5.499 8.623 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.974 5.403 10.805 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.722 6.402 11.517 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.642 6.841 11.347 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.845 8.393 10.527 1.00 0.00 H new ATOM 446 N PHE A 33 -0.749 4.713 8.149 1.00 0.00 N ATOM 447 CA PHE A 33 0.017 4.238 7.001 1.00 0.00 C ATOM 448 C PHE A 33 0.741 2.945 7.363 1.00 0.00 C ATOM 449 O PHE A 33 0.726 1.972 6.607 1.00 0.00 O ATOM 450 CB PHE A 33 1.020 5.318 6.585 1.00 0.00 C ATOM 451 CG PHE A 33 1.778 5.025 5.320 1.00 0.00 C ATOM 452 CD1 PHE A 33 1.216 5.297 4.082 1.00 0.00 C ATOM 453 CD2 PHE A 33 3.062 4.502 5.369 1.00 0.00 C ATOM 454 CE1 PHE A 33 1.917 5.052 2.918 1.00 0.00 C ATOM 455 CE2 PHE A 33 3.766 4.252 4.206 1.00 0.00 C ATOM 456 CZ PHE A 33 3.192 4.529 2.979 1.00 0.00 C ATOM 0 H PHE A 33 -0.447 5.620 8.505 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.654 4.035 6.166 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.486 6.260 6.462 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.735 5.460 7.395 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.218 5.705 4.028 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.516 4.288 6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.467 5.270 1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.763 3.841 4.256 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.741 4.336 2.069 1.00 0.00 H new ATOM 466 N ASP A 34 1.356 2.957 8.538 1.00 0.00 N ATOM 467 CA ASP A 34 2.064 1.802 9.084 1.00 0.00 C ATOM 468 C ASP A 34 1.169 0.569 9.142 1.00 0.00 C ATOM 469 O ASP A 34 1.516 -0.485 8.606 1.00 0.00 O ATOM 470 CB ASP A 34 2.575 2.151 10.483 1.00 0.00 C ATOM 471 CG ASP A 34 3.123 0.963 11.247 1.00 0.00 C ATOM 472 OD1 ASP A 34 4.338 0.700 11.157 1.00 0.00 O ATOM 473 OD2 ASP A 34 2.355 0.332 12.001 1.00 0.00 O ATOM 0 H ASP A 34 1.379 3.775 9.146 1.00 0.00 H new ATOM 0 HA ASP A 34 2.901 1.564 8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.355 2.907 10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.762 2.596 11.056 1.00 0.00 H new ATOM 478 N ASP A 35 0.010 0.707 9.778 1.00 0.00 N ATOM 479 CA ASP A 35 -0.917 -0.412 9.928 1.00 0.00 C ATOM 480 C ASP A 35 -1.369 -0.920 8.566 1.00 0.00 C ATOM 481 O ASP A 35 -1.478 -2.127 8.347 1.00 0.00 O ATOM 482 CB ASP A 35 -2.134 0.002 10.757 1.00 0.00 C ATOM 483 CG ASP A 35 -3.061 -1.164 11.057 1.00 0.00 C ATOM 484 OD1 ASP A 35 -3.862 -1.541 10.178 1.00 0.00 O ATOM 485 OD2 ASP A 35 -3.003 -1.703 12.181 1.00 0.00 O ATOM 0 H ASP A 35 -0.310 1.580 10.197 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.394 -1.215 10.448 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.797 0.444 11.695 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.688 0.773 10.222 1.00 0.00 H new ATOM 490 N ALA A 36 -1.619 0.007 7.650 1.00 0.00 N ATOM 491 CA ALA A 36 -2.054 -0.344 6.308 1.00 0.00 C ATOM 492 C ALA A 36 -1.003 -1.190 5.603 1.00 0.00 C ATOM 493 O ALA A 36 -1.306 -2.272 5.107 1.00 0.00 O ATOM 494 CB ALA A 36 -2.365 0.908 5.506 1.00 0.00 C ATOM 0 H ALA A 36 -1.527 1.009 7.814 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.966 -0.936 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.689 0.627 4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.158 1.469 6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.471 1.528 5.438 1.00 0.00 H new ATOM 500 N VAL A 37 0.232 -0.704 5.586 1.00 0.00 N ATOM 501 CA VAL A 37 1.325 -1.408 4.926 1.00 0.00 C ATOM 502 C VAL A 37 1.537 -2.790 5.542 1.00 0.00 C ATOM 503 O VAL A 37 1.686 -3.781 4.826 1.00 0.00 O ATOM 504 CB VAL A 37 2.639 -0.599 4.996 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.802 -1.389 4.412 1.00 0.00 C ATOM 506 CG2 VAL A 37 2.482 0.729 4.269 1.00 0.00 C ATOM 0 H VAL A 37 0.502 0.177 6.023 1.00 0.00 H new ATOM 0 HA VAL A 37 1.046 -1.527 3.879 1.00 0.00 H new ATOM 0 HB VAL A 37 2.859 -0.402 6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.714 -0.795 4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.932 -2.314 4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.594 -1.625 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.416 1.288 4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.234 0.544 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.684 1.307 4.735 1.00 0.00 H new ATOM 516 N ASN A 38 1.527 -2.853 6.869 1.00 0.00 N ATOM 517 CA ASN A 38 1.724 -4.117 7.576 1.00 0.00 C ATOM 518 C ASN A 38 0.616 -5.111 7.249 1.00 0.00 C ATOM 519 O ASN A 38 0.881 -6.285 6.978 1.00 0.00 O ATOM 520 CB ASN A 38 1.786 -3.888 9.088 1.00 0.00 C ATOM 521 CG ASN A 38 3.083 -3.237 9.526 1.00 0.00 C ATOM 522 OD1 ASN A 38 4.135 -3.446 8.918 1.00 0.00 O ATOM 523 ND2 ASN A 38 3.016 -2.440 10.579 1.00 0.00 N ATOM 0 H ASN A 38 1.385 -2.047 7.477 1.00 0.00 H new ATOM 0 HA ASN A 38 2.673 -4.536 7.241 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.948 -3.260 9.391 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.671 -4.843 9.601 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.856 -1.970 10.917 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.124 -2.295 11.053 1.00 0.00 H new ATOM 530 N PHE A 39 -0.621 -4.632 7.264 1.00 0.00 N ATOM 531 CA PHE A 39 -1.776 -5.472 6.968 1.00 0.00 C ATOM 532 C PHE A 39 -1.732 -5.969 5.526 1.00 0.00 C ATOM 533 O PHE A 39 -1.927 -7.158 5.265 1.00 0.00 O ATOM 534 CB PHE A 39 -3.072 -4.695 7.221 1.00 0.00 C ATOM 535 CG PHE A 39 -4.324 -5.473 6.921 1.00 0.00 C ATOM 536 CD1 PHE A 39 -4.768 -6.456 7.789 1.00 0.00 C ATOM 537 CD2 PHE A 39 -5.057 -5.217 5.773 1.00 0.00 C ATOM 538 CE1 PHE A 39 -5.917 -7.170 7.520 1.00 0.00 C ATOM 539 CE2 PHE A 39 -6.208 -5.928 5.497 1.00 0.00 C ATOM 540 CZ PHE A 39 -6.639 -6.906 6.373 1.00 0.00 C ATOM 0 H PHE A 39 -0.852 -3.662 7.479 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.747 -6.339 7.628 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.095 -4.378 8.264 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.065 -3.790 6.613 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.208 -6.666 8.688 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.724 -4.453 5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.252 -7.935 8.206 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.770 -5.720 4.599 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.539 -7.463 6.161 1.00 0.00 H new ATOM 550 N LEU A 40 -1.459 -5.059 4.597 1.00 0.00 N ATOM 551 CA LEU A 40 -1.410 -5.401 3.180 1.00 0.00 C ATOM 552 C LEU A 40 -0.284 -6.392 2.902 1.00 0.00 C ATOM 553 O LEU A 40 -0.410 -7.269 2.046 1.00 0.00 O ATOM 554 CB LEU A 40 -1.227 -4.140 2.333 1.00 0.00 C ATOM 555 CG LEU A 40 -2.344 -3.099 2.462 1.00 0.00 C ATOM 556 CD1 LEU A 40 -1.999 -1.849 1.670 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.675 -3.671 1.996 1.00 0.00 C ATOM 0 H LEU A 40 -1.268 -4.078 4.800 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.356 -5.870 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.282 -3.671 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.145 -4.433 1.286 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.438 -2.831 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.803 -1.120 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.071 -1.422 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.875 -2.107 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.452 -2.913 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.596 -3.972 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.932 -4.538 2.605 1.00 0.00 H new ATOM 569 N LYS A 41 0.812 -6.247 3.635 1.00 0.00 N ATOM 570 CA LYS A 41 1.942 -7.158 3.519 1.00 0.00 C ATOM 571 C LYS A 41 1.570 -8.548 4.023 1.00 0.00 C ATOM 572 O LYS A 41 1.923 -9.556 3.411 1.00 0.00 O ATOM 573 CB LYS A 41 3.136 -6.620 4.312 1.00 0.00 C ATOM 574 CG LYS A 41 4.360 -7.518 4.257 1.00 0.00 C ATOM 575 CD LYS A 41 5.458 -7.023 5.183 1.00 0.00 C ATOM 576 CE LYS A 41 6.654 -7.959 5.176 1.00 0.00 C ATOM 577 NZ LYS A 41 6.297 -9.321 5.654 1.00 0.00 N ATOM 0 H LYS A 41 0.942 -5.502 4.320 1.00 0.00 H new ATOM 0 HA LYS A 41 2.214 -7.232 2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.402 -5.635 3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.840 -6.488 5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.079 -8.534 4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.736 -7.559 3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.773 -6.026 4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.069 -6.936 6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.058 -8.024 4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.441 -7.547 5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.165 -9.850 5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.709 -9.246 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.767 -9.821 4.912 1.00 0.00 H new ATOM 591 N ARG A 42 0.841 -8.590 5.131 1.00 0.00 N ATOM 592 CA ARG A 42 0.490 -9.850 5.776 1.00 0.00 C ATOM 593 C ARG A 42 -0.463 -10.664 4.907 1.00 0.00 C ATOM 594 O ARG A 42 -0.258 -11.861 4.694 1.00 0.00 O ATOM 595 CB ARG A 42 -0.160 -9.589 7.137 1.00 0.00 C ATOM 596 CG ARG A 42 -0.239 -10.826 8.020 1.00 0.00 C ATOM 597 CD ARG A 42 -1.111 -10.595 9.245 1.00 0.00 C ATOM 598 NE ARG A 42 -2.527 -10.504 8.894 1.00 0.00 N ATOM 599 CZ ARG A 42 -3.515 -10.432 9.781 1.00 0.00 C ATOM 600 NH1 ARG A 42 -3.256 -10.412 11.081 1.00 0.00 N ATOM 601 NH2 ARG A 42 -4.771 -10.391 9.357 1.00 0.00 N ATOM 0 H ARG A 42 0.479 -7.762 5.604 1.00 0.00 H new ATOM 0 HA ARG A 42 1.409 -10.419 5.916 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.405 -8.816 7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.166 -9.199 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.639 -11.659 7.442 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.764 -11.110 8.337 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.964 -11.409 9.955 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.801 -9.677 9.744 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.773 -10.495 7.904 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.291 -10.452 11.409 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.022 -10.357 11.753 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.973 -10.415 8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.535 -10.336 10.030 1.00 0.00 H new ATOM 615 N GLU A 43 -1.501 -10.008 4.399 1.00 0.00 N ATOM 616 CA GLU A 43 -2.526 -10.691 3.618 1.00 0.00 C ATOM 617 C GLU A 43 -2.014 -11.034 2.222 1.00 0.00 C ATOM 618 O GLU A 43 -2.527 -11.946 1.572 1.00 0.00 O ATOM 619 CB GLU A 43 -3.789 -9.834 3.524 1.00 0.00 C ATOM 620 CG GLU A 43 -4.346 -9.417 4.877 1.00 0.00 C ATOM 621 CD GLU A 43 -4.614 -10.593 5.796 1.00 0.00 C ATOM 622 OE1 GLU A 43 -3.701 -10.980 6.555 1.00 0.00 O ATOM 623 OE2 GLU A 43 -5.741 -11.130 5.774 1.00 0.00 O ATOM 0 H GLU A 43 -1.655 -9.006 4.514 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.772 -11.622 4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.569 -8.940 2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.554 -10.388 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.642 -8.739 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.272 -8.862 4.727 1.00 0.00 H new ATOM 630 N GLY A 44 -1.004 -10.305 1.767 1.00 0.00 N ATOM 631 CA GLY A 44 -0.397 -10.604 0.484 1.00 0.00 C ATOM 632 C GLY A 44 -0.892 -9.706 -0.630 1.00 0.00 C ATOM 633 O GLY A 44 -1.245 -10.181 -1.709 1.00 0.00 O ATOM 0 H GLY A 44 -0.594 -9.513 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.685 -10.505 0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.603 -11.642 0.224 1.00 0.00 H new ATOM 637 N TYR A 45 -0.933 -8.407 -0.373 1.00 0.00 N ATOM 638 CA TYR A 45 -1.309 -7.441 -1.398 1.00 0.00 C ATOM 639 C TYR A 45 -0.068 -6.812 -2.013 1.00 0.00 C ATOM 640 O TYR A 45 -0.022 -6.543 -3.215 1.00 0.00 O ATOM 641 CB TYR A 45 -2.223 -6.359 -0.818 1.00 0.00 C ATOM 642 CG TYR A 45 -3.591 -6.870 -0.422 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.573 -7.096 -1.379 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.901 -7.123 0.908 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.825 -7.559 -1.022 1.00 0.00 C ATOM 646 CE2 TYR A 45 -5.150 -7.586 1.274 1.00 0.00 C ATOM 647 CZ TYR A 45 -6.109 -7.803 0.306 1.00 0.00 C ATOM 648 OH TYR A 45 -7.356 -8.266 0.670 1.00 0.00 O ATOM 0 H TYR A 45 -0.711 -7.997 0.534 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.858 -7.968 -2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.742 -5.919 0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.341 -5.562 -1.553 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.354 -6.907 -2.419 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.153 -6.955 1.669 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.577 -7.729 -1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.375 -7.777 2.313 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.389 -8.387 1.642 1.00 0.00 H new ATOM 658 N ILE A 46 0.944 -6.593 -1.186 1.00 0.00 N ATOM 659 CA ILE A 46 2.204 -6.032 -1.649 1.00 0.00 C ATOM 660 C ILE A 46 3.381 -6.673 -0.928 1.00 0.00 C ATOM 661 O ILE A 46 3.233 -7.197 0.179 1.00 0.00 O ATOM 662 CB ILE A 46 2.265 -4.491 -1.479 1.00 0.00 C ATOM 663 CG1 ILE A 46 1.610 -4.031 -0.167 1.00 0.00 C ATOM 664 CG2 ILE A 46 1.622 -3.795 -2.665 1.00 0.00 C ATOM 665 CD1 ILE A 46 2.449 -4.273 1.070 1.00 0.00 C ATOM 0 H ILE A 46 0.916 -6.796 -0.187 1.00 0.00 H new ATOM 0 HA ILE A 46 2.267 -6.252 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 46 3.318 -4.212 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.390 -2.966 -0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.657 -4.546 -0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.675 -2.715 -2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.150 -4.070 -3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.578 -4.100 -2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.911 -3.919 1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.648 -5.340 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.393 -3.735 0.981 1.00 0.00 H new ATOM 677 N ILE A 47 4.539 -6.640 -1.569 1.00 0.00 N ATOM 678 CA ILE A 47 5.762 -7.180 -0.991 1.00 0.00 C ATOM 679 C ILE A 47 6.894 -6.170 -1.135 1.00 0.00 C ATOM 680 O ILE A 47 6.740 -5.157 -1.817 1.00 0.00 O ATOM 681 CB ILE A 47 6.178 -8.508 -1.662 1.00 0.00 C ATOM 682 CG1 ILE A 47 6.344 -8.320 -3.173 1.00 0.00 C ATOM 683 CG2 ILE A 47 5.155 -9.596 -1.367 1.00 0.00 C ATOM 684 CD1 ILE A 47 6.842 -9.555 -3.893 1.00 0.00 C ATOM 0 H ILE A 47 4.659 -6.241 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 47 5.566 -7.378 0.063 1.00 0.00 H new ATOM 0 HB ILE A 47 7.138 -8.817 -1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.386 -8.024 -3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.040 -7.501 -3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.463 -10.525 -1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.087 -9.749 -0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.181 -9.294 -1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.934 -9.343 -4.958 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.816 -9.841 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.136 -10.372 -3.745 1.00 0.00 H new ATOM 696 N GLY A 48 8.022 -6.440 -0.491 1.00 0.00 N ATOM 697 CA GLY A 48 9.157 -5.538 -0.570 1.00 0.00 C ATOM 698 C GLY A 48 9.183 -4.565 0.588 1.00 0.00 C ATOM 699 O GLY A 48 9.905 -3.566 0.565 1.00 0.00 O ATOM 0 H GLY A 48 8.172 -7.268 0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.081 -6.116 -0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.117 -4.985 -1.509 1.00 0.00 H new ATOM 703 N VAL A 49 8.389 -4.864 1.605 1.00 0.00 N ATOM 704 CA VAL A 49 8.296 -4.017 2.781 1.00 0.00 C ATOM 705 C VAL A 49 9.491 -4.247 3.693 1.00 0.00 C ATOM 706 O VAL A 49 9.667 -5.331 4.246 1.00 0.00 O ATOM 707 CB VAL A 49 6.989 -4.282 3.558 1.00 0.00 C ATOM 708 CG1 VAL A 49 6.938 -3.463 4.840 1.00 0.00 C ATOM 709 CG2 VAL A 49 5.782 -3.981 2.682 1.00 0.00 C ATOM 0 H VAL A 49 7.796 -5.694 1.638 1.00 0.00 H new ATOM 0 HA VAL A 49 8.293 -2.980 2.445 1.00 0.00 H new ATOM 0 HB VAL A 49 6.966 -5.336 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.006 -3.670 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.782 -3.730 5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.989 -2.402 4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.868 -4.173 3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.807 -2.935 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.805 -4.619 1.799 1.00 0.00 H new ATOM 719 N HIS A 50 10.318 -3.226 3.834 1.00 0.00 N ATOM 720 CA HIS A 50 11.513 -3.329 4.651 1.00 0.00 C ATOM 721 C HIS A 50 11.370 -2.500 5.914 1.00 0.00 C ATOM 722 O HIS A 50 10.960 -1.341 5.864 1.00 0.00 O ATOM 723 CB HIS A 50 12.745 -2.873 3.868 1.00 0.00 C ATOM 724 CG HIS A 50 13.100 -3.772 2.724 1.00 0.00 C ATOM 725 ND1 HIS A 50 12.842 -3.455 1.408 1.00 0.00 N ATOM 726 CD2 HIS A 50 13.699 -4.985 2.705 1.00 0.00 C ATOM 727 CE1 HIS A 50 13.267 -4.436 0.632 1.00 0.00 C ATOM 728 NE2 HIS A 50 13.790 -5.375 1.393 1.00 0.00 N ATOM 0 H HIS A 50 10.183 -2.316 3.393 1.00 0.00 H new ATOM 0 HA HIS A 50 11.641 -4.375 4.928 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.570 -1.867 3.487 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.595 -2.813 4.548 1.00 0.00 H new ATOM 0 HD2 HIS A 50 14.042 -5.543 3.564 1.00 0.00 H new ATOM 0 HE1 HIS A 50 13.197 -4.463 -0.445 1.00 0.00 H new ATOM 0 HE2 HIS A 50 14.196 -6.250 1.061 1.00 0.00 H new ATOM 737 N TYR A 51 11.689 -3.105 7.042 1.00 0.00 N ATOM 738 CA TYR A 51 11.690 -2.399 8.310 1.00 0.00 C ATOM 739 C TYR A 51 13.078 -1.831 8.564 1.00 0.00 C ATOM 740 O TYR A 51 14.076 -2.465 8.230 1.00 0.00 O ATOM 741 CB TYR A 51 11.279 -3.337 9.448 1.00 0.00 C ATOM 742 CG TYR A 51 9.884 -3.893 9.298 1.00 0.00 C ATOM 743 CD1 TYR A 51 8.790 -3.208 9.803 1.00 0.00 C ATOM 744 CD2 TYR A 51 9.662 -5.101 8.650 1.00 0.00 C ATOM 745 CE1 TYR A 51 7.512 -3.709 9.669 1.00 0.00 C ATOM 746 CE2 TYR A 51 8.386 -5.609 8.509 1.00 0.00 C ATOM 747 CZ TYR A 51 7.314 -4.908 9.021 1.00 0.00 C ATOM 748 OH TYR A 51 6.039 -5.407 8.888 1.00 0.00 O ATOM 0 H TYR A 51 11.952 -4.088 7.107 1.00 0.00 H new ATOM 0 HA TYR A 51 10.967 -1.584 8.269 1.00 0.00 H new ATOM 0 HB2 TYR A 51 11.987 -4.164 9.500 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.347 -2.799 10.394 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.941 -2.266 10.310 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.501 -5.652 8.250 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.671 -3.164 10.070 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.228 -6.549 8.001 1.00 0.00 H new ATOM 0 HH TYR A 51 5.389 -4.696 9.068 1.00 0.00 H new ATOM 793 N ARG A 55 9.647 0.527 11.959 1.00 0.00 N ATOM 794 CA ARG A 55 8.438 0.512 11.159 1.00 0.00 C ATOM 795 C ARG A 55 8.790 0.309 9.688 1.00 0.00 C ATOM 796 O ARG A 55 9.956 0.447 9.304 1.00 0.00 O ATOM 797 CB ARG A 55 7.677 1.828 11.367 1.00 0.00 C ATOM 798 CG ARG A 55 7.573 2.229 12.833 1.00 0.00 C ATOM 799 CD ARG A 55 6.486 3.261 13.070 1.00 0.00 C ATOM 800 NE ARG A 55 5.156 2.657 13.073 1.00 0.00 N ATOM 801 CZ ARG A 55 4.146 3.088 13.831 1.00 0.00 C ATOM 802 NH1 ARG A 55 4.291 4.161 14.600 1.00 0.00 N ATOM 803 NH2 ARG A 55 2.983 2.449 13.821 1.00 0.00 N ATOM 0 HA ARG A 55 7.799 -0.314 11.470 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.177 2.622 10.813 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.674 1.732 10.950 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.369 1.344 13.436 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.530 2.629 13.167 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.661 3.760 14.023 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.536 4.026 12.295 1.00 0.00 H new ATOM 0 HE ARG A 55 4.990 1.859 12.460 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.179 4.662 14.614 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.514 4.484 15.176 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.859 1.625 13.232 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.213 2.782 14.402 1.00 0.00 H new ATOM 817 N PRO A 56 7.805 -0.057 8.850 1.00 0.00 N ATOM 818 CA PRO A 56 8.018 -0.241 7.414 1.00 0.00 C ATOM 819 C PRO A 56 8.450 1.047 6.721 1.00 0.00 C ATOM 820 O PRO A 56 7.890 2.117 6.959 1.00 0.00 O ATOM 821 CB PRO A 56 6.649 -0.689 6.892 1.00 0.00 C ATOM 822 CG PRO A 56 5.677 -0.253 7.931 1.00 0.00 C ATOM 823 CD PRO A 56 6.411 -0.343 9.233 1.00 0.00 C ATOM 0 HA PRO A 56 8.816 -0.957 7.217 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.426 -0.233 5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.616 -1.769 6.749 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.334 0.765 7.744 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.794 -0.892 7.934 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.036 0.379 9.958 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.311 -1.330 9.685 1.00 0.00 H new ATOM 831 N HIS A 57 9.459 0.937 5.877 1.00 0.00 N ATOM 832 CA HIS A 57 9.930 2.066 5.095 1.00 0.00 C ATOM 833 C HIS A 57 9.968 1.701 3.620 1.00 0.00 C ATOM 834 O HIS A 57 10.469 0.640 3.244 1.00 0.00 O ATOM 835 CB HIS A 57 11.312 2.525 5.568 1.00 0.00 C ATOM 836 CG HIS A 57 11.276 3.305 6.850 1.00 0.00 C ATOM 837 ND1 HIS A 57 11.242 2.895 8.140 1.00 0.00 N flip ATOM 838 CD2 HIS A 57 11.263 4.680 6.894 1.00 0.00 C flip ATOM 839 CE1 HIS A 57 11.207 4.017 8.929 1.00 0.00 C flip ATOM 840 NE2 HIS A 57 11.219 5.080 8.150 1.00 0.00 N flip ATOM 0 H HIS A 57 9.972 0.070 5.715 1.00 0.00 H new ATOM 0 HA HIS A 57 9.235 2.893 5.237 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.951 1.652 5.701 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.768 3.138 4.791 1.00 0.00 H new ATOM 0 HD1 HIS A 57 11.242 1.928 8.466 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.285 5.331 6.033 1.00 0.00 H new ATOM 0 HE1 HIS A 57 11.175 4.027 10.008 1.00 0.00 H new ATOM 849 N LEU A 58 9.426 2.578 2.794 1.00 0.00 N ATOM 850 CA LEU A 58 9.351 2.333 1.364 1.00 0.00 C ATOM 851 C LEU A 58 10.497 3.027 0.646 1.00 0.00 C ATOM 852 O LEU A 58 10.857 4.158 0.975 1.00 0.00 O ATOM 853 CB LEU A 58 8.005 2.807 0.809 1.00 0.00 C ATOM 854 CG LEU A 58 6.782 2.098 1.400 1.00 0.00 C ATOM 855 CD1 LEU A 58 5.505 2.643 0.788 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.876 0.594 1.186 1.00 0.00 C ATOM 0 H LEU A 58 9.030 3.470 3.090 1.00 0.00 H new ATOM 0 HA LEU A 58 9.435 1.260 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.910 3.878 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.003 2.665 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 58 6.761 2.290 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.646 2.128 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.429 3.711 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.521 2.482 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.998 0.110 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.924 0.381 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.773 0.213 1.673 1.00 0.00 H new ATOM 868 N TYR A 59 11.076 2.336 -0.321 1.00 0.00 N ATOM 869 CA TYR A 59 12.180 2.877 -1.090 1.00 0.00 C ATOM 870 C TYR A 59 11.721 3.158 -2.512 1.00 0.00 C ATOM 871 O TYR A 59 10.541 3.015 -2.819 1.00 0.00 O ATOM 872 CB TYR A 59 13.360 1.902 -1.081 1.00 0.00 C ATOM 873 CG TYR A 59 13.877 1.607 0.309 1.00 0.00 C ATOM 874 CD1 TYR A 59 14.623 2.549 1.005 1.00 0.00 C ATOM 875 CD2 TYR A 59 13.609 0.395 0.929 1.00 0.00 C ATOM 876 CE1 TYR A 59 15.090 2.290 2.281 1.00 0.00 C ATOM 877 CE2 TYR A 59 14.069 0.128 2.205 1.00 0.00 C ATOM 878 CZ TYR A 59 14.809 1.079 2.876 1.00 0.00 C ATOM 879 OH TYR A 59 15.264 0.817 4.148 1.00 0.00 O ATOM 0 H TYR A 59 10.796 1.393 -0.592 1.00 0.00 H new ATOM 0 HA TYR A 59 12.511 3.812 -0.638 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.056 0.969 -1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.169 2.315 -1.683 1.00 0.00 H new ATOM 0 HD1 TYR A 59 14.842 3.500 0.542 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.031 -0.353 0.406 1.00 0.00 H new ATOM 0 HE1 TYR A 59 15.671 3.032 2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.850 -0.820 2.674 1.00 0.00 H new ATOM 0 HH TYR A 59 14.978 -0.080 4.419 1.00 0.00 H new ATOM 889 N LYS A 60 12.647 3.544 -3.377 1.00 0.00 N ATOM 890 CA LYS A 60 12.305 3.911 -4.746 1.00 0.00 C ATOM 891 C LYS A 60 12.209 2.664 -5.621 1.00 0.00 C ATOM 892 O LYS A 60 11.850 2.732 -6.800 1.00 0.00 O ATOM 893 CB LYS A 60 13.350 4.879 -5.305 1.00 0.00 C ATOM 894 CG LYS A 60 13.613 6.071 -4.397 1.00 0.00 C ATOM 895 CD LYS A 60 14.598 7.047 -5.018 1.00 0.00 C ATOM 896 CE LYS A 60 14.969 8.154 -4.043 1.00 0.00 C ATOM 897 NZ LYS A 60 15.745 7.636 -2.886 1.00 0.00 N ATOM 0 H LYS A 60 13.641 3.612 -3.157 1.00 0.00 H new ATOM 0 HA LYS A 60 11.334 4.406 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.284 4.341 -5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.017 5.239 -6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.674 6.584 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.002 5.721 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.498 6.513 -5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.163 7.483 -5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.554 8.914 -4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.062 8.640 -3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 16.193 8.430 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.107 7.133 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.479 6.983 -3.225 1.00 0.00 H new ATOM 911 N LEU A 61 12.552 1.530 -5.032 1.00 0.00 N ATOM 912 CA LEU A 61 12.472 0.247 -5.706 1.00 0.00 C ATOM 913 C LEU A 61 12.366 -0.845 -4.652 1.00 0.00 C ATOM 914 O LEU A 61 13.237 -0.968 -3.790 1.00 0.00 O ATOM 915 CB LEU A 61 13.706 0.035 -6.598 1.00 0.00 C ATOM 916 CG LEU A 61 13.593 -1.070 -7.658 1.00 0.00 C ATOM 917 CD1 LEU A 61 14.672 -0.894 -8.715 1.00 0.00 C ATOM 918 CD2 LEU A 61 13.704 -2.455 -7.032 1.00 0.00 C ATOM 0 H LEU A 61 12.894 1.474 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 61 11.593 0.215 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.928 0.974 -7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.558 -0.191 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 61 12.611 -0.986 -8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.582 -1.683 -9.461 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.554 0.077 -9.197 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.654 -0.949 -8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.620 -3.214 -7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.668 -2.552 -6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.904 -2.591 -6.305 1.00 0.00 H new ATOM 930 N GLY A 62 11.293 -1.615 -4.701 1.00 0.00 N ATOM 931 CA GLY A 62 11.084 -2.642 -3.701 1.00 0.00 C ATOM 932 C GLY A 62 9.627 -3.044 -3.563 1.00 0.00 C ATOM 933 O GLY A 62 9.305 -4.222 -3.695 1.00 0.00 O ATOM 0 H GLY A 62 10.564 -1.549 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.675 -3.520 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.450 -2.285 -2.738 1.00 0.00 H new ATOM 937 N PRO A 63 8.721 -2.090 -3.270 1.00 0.00 N ATOM 938 CA PRO A 63 7.286 -2.375 -3.136 1.00 0.00 C ATOM 939 C PRO A 63 6.669 -2.897 -4.432 1.00 0.00 C ATOM 940 O PRO A 63 6.477 -2.146 -5.389 1.00 0.00 O ATOM 941 CB PRO A 63 6.673 -1.021 -2.762 1.00 0.00 C ATOM 942 CG PRO A 63 7.813 -0.200 -2.265 1.00 0.00 C ATOM 943 CD PRO A 63 9.016 -0.668 -3.025 1.00 0.00 C ATOM 0 HA PRO A 63 7.103 -3.156 -2.398 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.197 -0.553 -3.624 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.906 -1.134 -1.996 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.633 0.862 -2.434 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.952 -0.333 -1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.145 -0.116 -3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.932 -0.539 -2.449 1.00 0.00 H new ATOM 951 N GLU A 64 6.379 -4.190 -4.455 1.00 0.00 N ATOM 952 CA GLU A 64 5.768 -4.829 -5.612 1.00 0.00 C ATOM 953 C GLU A 64 4.337 -5.228 -5.272 1.00 0.00 C ATOM 954 O GLU A 64 4.072 -5.689 -4.163 1.00 0.00 O ATOM 955 CB GLU A 64 6.555 -6.085 -5.996 1.00 0.00 C ATOM 956 CG GLU A 64 8.064 -5.890 -6.044 1.00 0.00 C ATOM 957 CD GLU A 64 8.541 -5.186 -7.294 1.00 0.00 C ATOM 958 OE1 GLU A 64 8.494 -3.943 -7.346 1.00 0.00 O ATOM 959 OE2 GLU A 64 9.000 -5.880 -8.227 1.00 0.00 O ATOM 0 H GLU A 64 6.560 -4.823 -3.676 1.00 0.00 H new ATOM 0 HA GLU A 64 5.774 -4.129 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.325 -6.876 -5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.214 -6.429 -6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.376 -5.316 -5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.551 -6.863 -5.976 1.00 0.00 H new ATOM 966 N LEU A 65 3.418 -5.052 -6.208 1.00 0.00 N ATOM 967 CA LEU A 65 2.044 -5.486 -5.995 1.00 0.00 C ATOM 968 C LEU A 65 1.868 -6.930 -6.438 1.00 0.00 C ATOM 969 O LEU A 65 2.492 -7.377 -7.405 1.00 0.00 O ATOM 970 CB LEU A 65 1.041 -4.591 -6.733 1.00 0.00 C ATOM 971 CG LEU A 65 0.703 -3.270 -6.034 1.00 0.00 C ATOM 972 CD1 LEU A 65 1.759 -2.213 -6.327 1.00 0.00 C ATOM 973 CD2 LEU A 65 -0.682 -2.789 -6.444 1.00 0.00 C ATOM 0 H LEU A 65 3.594 -4.617 -7.114 1.00 0.00 H new ATOM 0 HA LEU A 65 1.842 -5.407 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.439 -4.368 -7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.118 -5.152 -6.879 1.00 0.00 H new ATOM 0 HG LEU A 65 0.698 -3.444 -4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.496 -1.285 -5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.729 -2.559 -5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.809 -2.037 -7.402 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.906 -1.850 -5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.709 -2.636 -7.523 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.424 -3.537 -6.165 1.00 0.00 H new ATOM 985 N THR A 66 1.040 -7.660 -5.713 1.00 0.00 N ATOM 986 CA THR A 66 0.708 -9.022 -6.082 1.00 0.00 C ATOM 987 C THR A 66 -0.469 -9.007 -7.043 1.00 0.00 C ATOM 988 O THR A 66 -1.078 -7.957 -7.258 1.00 0.00 O ATOM 989 CB THR A 66 0.338 -9.863 -4.844 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.835 -9.322 -4.218 1.00 0.00 O ATOM 991 CG2 THR A 66 1.485 -9.894 -3.842 1.00 0.00 C ATOM 0 H THR A 66 0.584 -7.330 -4.862 1.00 0.00 H new ATOM 0 HA THR A 66 1.581 -9.471 -6.555 1.00 0.00 H new ATOM 0 HB THR A 66 0.139 -10.883 -5.173 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.882 -9.631 -3.289 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.198 -10.494 -2.978 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.366 -10.332 -4.311 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.713 -8.878 -3.519 1.00 0.00 H new ATOM 999 N GLU A 67 -0.796 -10.154 -7.621 1.00 0.00 N ATOM 1000 CA GLU A 67 -1.969 -10.244 -8.471 1.00 0.00 C ATOM 1001 C GLU A 67 -3.218 -9.965 -7.648 1.00 0.00 C ATOM 1002 O GLU A 67 -4.140 -9.299 -8.109 1.00 0.00 O ATOM 1003 CB GLU A 67 -2.066 -11.615 -9.144 1.00 0.00 C ATOM 1004 CG GLU A 67 -3.369 -11.813 -9.902 1.00 0.00 C ATOM 1005 CD GLU A 67 -3.359 -13.036 -10.785 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -2.947 -14.115 -10.316 1.00 0.00 O ATOM 1007 OE2 GLU A 67 -3.745 -12.918 -11.968 1.00 0.00 O ATOM 0 H GLU A 67 -0.272 -11.023 -7.518 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.882 -9.497 -9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.230 -11.736 -9.832 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.971 -12.393 -8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.189 -11.894 -9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.564 -10.932 -10.513 1.00 0.00 H new ATOM 1014 N LYS A 68 -3.222 -10.456 -6.417 1.00 0.00 N ATOM 1015 CA LYS A 68 -4.339 -10.244 -5.510 1.00 0.00 C ATOM 1016 C LYS A 68 -4.510 -8.761 -5.206 1.00 0.00 C ATOM 1017 O LYS A 68 -5.623 -8.240 -5.228 1.00 0.00 O ATOM 1018 CB LYS A 68 -4.117 -11.032 -4.221 1.00 0.00 C ATOM 1019 CG LYS A 68 -5.320 -11.041 -3.296 1.00 0.00 C ATOM 1020 CD LYS A 68 -5.212 -12.150 -2.265 1.00 0.00 C ATOM 1021 CE LYS A 68 -3.945 -12.027 -1.436 1.00 0.00 C ATOM 1022 NZ LYS A 68 -3.727 -13.216 -0.574 1.00 0.00 N ATOM 0 H LYS A 68 -2.459 -11.007 -6.023 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.252 -10.599 -5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.857 -12.060 -4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.264 -10.609 -3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.401 -10.078 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.231 -11.172 -3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.081 -12.121 -1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.225 -13.117 -2.768 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.089 -11.898 -2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.004 -11.134 -0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.189 -12.938 0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.646 -13.609 -0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.193 -13.935 -1.103 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.398 -8.084 -4.938 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.441 -6.657 -4.679 1.00 0.00 C ATOM 1038 C GLY A 69 -3.860 -5.877 -5.908 1.00 0.00 C ATOM 1039 O GLY A 69 -4.676 -4.958 -5.823 1.00 0.00 O ATOM 0 H GLY A 69 -2.467 -8.499 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.138 -6.456 -3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.459 -6.317 -4.350 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.313 -6.263 -7.055 1.00 0.00 N ATOM 1044 CA GLU A 70 -3.643 -5.632 -8.325 1.00 0.00 C ATOM 1045 C GLU A 70 -5.124 -5.836 -8.659 1.00 0.00 C ATOM 1046 O GLU A 70 -5.825 -4.897 -9.034 1.00 0.00 O ATOM 1047 CB GLU A 70 -2.763 -6.225 -9.427 1.00 0.00 C ATOM 1048 CG GLU A 70 -2.985 -5.602 -10.789 1.00 0.00 C ATOM 1049 CD GLU A 70 -2.503 -4.172 -10.875 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -3.245 -3.266 -10.448 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -1.397 -3.949 -11.410 1.00 0.00 O ATOM 0 H GLU A 70 -2.632 -7.018 -7.130 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.458 -4.560 -8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.716 -6.103 -9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.952 -7.296 -9.493 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.470 -6.198 -11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.048 -5.635 -11.028 1.00 0.00 H new ATOM 1058 N ASN A 71 -5.594 -7.071 -8.505 1.00 0.00 N ATOM 1059 CA ASN A 71 -6.997 -7.409 -8.759 1.00 0.00 C ATOM 1060 C ASN A 71 -7.912 -6.664 -7.797 1.00 0.00 C ATOM 1061 O ASN A 71 -9.024 -6.271 -8.153 1.00 0.00 O ATOM 1062 CB ASN A 71 -7.226 -8.918 -8.614 1.00 0.00 C ATOM 1063 CG ASN A 71 -6.794 -9.723 -9.831 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -5.824 -9.218 -10.578 1.00 0.00 O flip ATOM 1065 ND2 ASN A 71 -7.328 -10.804 -10.091 1.00 0.00 N flip ATOM 0 H ASN A 71 -5.022 -7.860 -8.204 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.232 -7.109 -9.780 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.682 -9.277 -7.740 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.284 -9.099 -8.427 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.073 -11.162 -9.493 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.025 -11.340 -10.904 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.431 -6.471 -6.578 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.182 -5.761 -5.554 1.00 0.00 C ATOM 1074 C TYR A 72 -8.435 -4.318 -5.979 1.00 0.00 C ATOM 1075 O TYR A 72 -9.512 -3.766 -5.741 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.422 -5.809 -4.227 1.00 0.00 C ATOM 1077 CG TYR A 72 -8.172 -5.200 -3.067 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -9.333 -5.787 -2.585 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -7.713 -4.044 -2.449 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -10.016 -5.240 -1.519 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -8.393 -3.490 -1.382 1.00 0.00 C ATOM 1082 CZ TYR A 72 -9.543 -4.093 -0.922 1.00 0.00 C ATOM 1083 OH TYR A 72 -10.220 -3.554 0.145 1.00 0.00 O ATOM 0 H TYR A 72 -6.515 -6.800 -6.272 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.148 -6.248 -5.423 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.189 -6.847 -3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.472 -5.288 -4.345 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.708 -6.686 -3.052 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.811 -3.571 -2.808 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.918 -5.709 -1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.026 -2.590 -0.911 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.757 -2.747 0.453 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.444 -3.721 -6.633 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.562 -2.356 -7.131 1.00 0.00 C ATOM 1095 C LEU A 73 -8.658 -2.263 -8.181 1.00 0.00 C ATOM 1096 O LEU A 73 -9.344 -1.253 -8.289 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.243 -1.886 -7.745 1.00 0.00 C ATOM 1098 CG LEU A 73 -5.033 -1.917 -6.814 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -3.793 -1.431 -7.545 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -5.286 -1.068 -5.583 1.00 0.00 C ATOM 0 H LEU A 73 -6.547 -4.164 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.813 -1.716 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.026 -2.507 -8.614 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.374 -0.866 -8.107 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.869 -2.946 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.938 -1.458 -6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.599 -2.076 -8.402 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.951 -0.409 -7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.413 -1.102 -4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.474 -0.037 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.154 -1.453 -5.047 1.00 0.00 H new ATOM 1112 N LYS A 74 -8.824 -3.328 -8.948 1.00 0.00 N ATOM 1113 CA LYS A 74 -9.804 -3.341 -10.022 1.00 0.00 C ATOM 1114 C LYS A 74 -11.221 -3.320 -9.453 1.00 0.00 C ATOM 1115 O LYS A 74 -12.115 -2.686 -10.013 1.00 0.00 O ATOM 1116 CB LYS A 74 -9.621 -4.579 -10.904 1.00 0.00 C ATOM 1117 CG LYS A 74 -8.174 -4.868 -11.281 1.00 0.00 C ATOM 1118 CD LYS A 74 -7.508 -3.684 -11.966 1.00 0.00 C ATOM 1119 CE LYS A 74 -6.066 -4.001 -12.336 1.00 0.00 C ATOM 1120 NZ LYS A 74 -5.362 -2.822 -12.909 1.00 0.00 N ATOM 0 H LYS A 74 -8.294 -4.194 -8.847 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.652 -2.449 -10.629 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.029 -5.446 -10.384 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.204 -4.451 -11.816 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.612 -5.129 -10.384 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.139 -5.734 -11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.066 -3.419 -12.864 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.535 -2.817 -11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.533 -4.346 -11.450 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.049 -4.818 -13.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.071 -3.032 -13.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.001 -2.002 -12.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.521 -2.607 -12.335 1.00 0.00 H new