USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 474 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0169 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 27:sc= 0.76 USER MOD Single : A 6 SER OG : rot 180:sc= -0.022 USER MOD Single : A 9 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.68) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 176:sc= 0.17 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.18) USER MOD Single : A 21 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.44) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.0093) USER MOD Single : A 51 GLN : amide:sc= -0.0854 K(o=-0.085,f=-1.1) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -66:sc= 0.723 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.783 15.807 -19.166 1.00 0.00 N ATOM 2 CA GLY A 1 6.397 15.797 -17.767 1.00 0.00 C ATOM 3 C GLY A 1 5.346 16.843 -17.448 1.00 0.00 C ATOM 4 O GLY A 1 5.344 17.928 -18.029 1.00 0.00 O ATOM 0 H1 GLY A 1 7.820 15.800 -19.240 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.397 14.965 -19.639 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.409 16.663 -19.623 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.014 14.810 -17.506 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.278 15.971 -17.149 1.00 0.00 H new ATOM 8 N SER A 2 4.450 16.515 -16.523 1.00 0.00 N ATOM 9 CA SER A 2 3.386 17.432 -16.132 1.00 0.00 C ATOM 10 C SER A 2 3.406 17.678 -14.626 1.00 0.00 C ATOM 11 O SER A 2 4.176 17.055 -13.895 1.00 0.00 O ATOM 12 CB SER A 2 2.024 16.874 -16.550 1.00 0.00 C ATOM 13 OG SER A 2 1.735 15.667 -15.867 1.00 0.00 O ATOM 0 H SER A 2 4.440 15.622 -16.031 1.00 0.00 H new ATOM 0 HA SER A 2 3.554 18.382 -16.640 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.247 17.609 -16.340 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.014 16.698 -17.626 1.00 0.00 H new ATOM 0 HG SER A 2 0.859 15.332 -16.151 1.00 0.00 H new ATOM 19 N SER A 3 2.555 18.591 -14.170 1.00 0.00 N ATOM 20 CA SER A 3 2.477 18.923 -12.752 1.00 0.00 C ATOM 21 C SER A 3 1.723 17.843 -11.982 1.00 0.00 C ATOM 22 O SER A 3 1.042 17.005 -12.571 1.00 0.00 O ATOM 23 CB SER A 3 1.789 20.276 -12.561 1.00 0.00 C ATOM 24 OG SER A 3 2.653 21.342 -12.915 1.00 0.00 O ATOM 0 H SER A 3 1.910 19.114 -14.762 1.00 0.00 H new ATOM 0 HA SER A 3 3.493 18.981 -12.361 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.886 20.318 -13.170 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.478 20.386 -11.522 1.00 0.00 H new ATOM 0 HG SER A 3 2.189 22.196 -12.786 1.00 0.00 H new ATOM 30 N GLY A 4 1.851 17.870 -10.659 1.00 0.00 N ATOM 31 CA GLY A 4 1.178 16.889 -9.828 1.00 0.00 C ATOM 32 C GLY A 4 1.313 17.191 -8.349 1.00 0.00 C ATOM 33 O GLY A 4 1.635 18.315 -7.965 1.00 0.00 O ATOM 0 H GLY A 4 2.409 18.554 -10.148 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.121 16.856 -10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.589 15.901 -10.033 1.00 0.00 H new ATOM 37 N SER A 5 1.066 16.185 -7.516 1.00 0.00 N ATOM 38 CA SER A 5 1.157 16.349 -6.070 1.00 0.00 C ATOM 39 C SER A 5 2.313 15.532 -5.502 1.00 0.00 C ATOM 40 O SER A 5 2.276 14.302 -5.499 1.00 0.00 O ATOM 41 CB SER A 5 -0.155 15.929 -5.404 1.00 0.00 C ATOM 42 OG SER A 5 -0.436 14.562 -5.648 1.00 0.00 O ATOM 0 H SER A 5 0.801 15.247 -7.818 1.00 0.00 H new ATOM 0 HA SER A 5 1.342 17.402 -5.860 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.094 16.105 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.972 16.544 -5.782 1.00 0.00 H new ATOM 0 HG SER A 5 0.402 14.078 -5.800 1.00 0.00 H new ATOM 48 N SER A 6 3.340 16.226 -5.022 1.00 0.00 N ATOM 49 CA SER A 6 4.510 15.566 -4.455 1.00 0.00 C ATOM 50 C SER A 6 4.283 15.227 -2.985 1.00 0.00 C ATOM 51 O SER A 6 4.524 14.101 -2.551 1.00 0.00 O ATOM 52 CB SER A 6 5.745 16.457 -4.600 1.00 0.00 C ATOM 53 OG SER A 6 5.526 17.731 -4.019 1.00 0.00 O ATOM 0 H SER A 6 3.385 17.245 -5.014 1.00 0.00 H new ATOM 0 HA SER A 6 4.674 14.638 -5.003 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.600 15.979 -4.123 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.992 16.573 -5.655 1.00 0.00 H new ATOM 0 HG SER A 6 6.331 18.281 -4.123 1.00 0.00 H new ATOM 59 N GLY A 7 3.817 16.211 -2.222 1.00 0.00 N ATOM 60 CA GLY A 7 3.565 15.999 -0.809 1.00 0.00 C ATOM 61 C GLY A 7 2.680 14.795 -0.552 1.00 0.00 C ATOM 62 O GLY A 7 3.046 13.899 0.208 1.00 0.00 O ATOM 0 H GLY A 7 3.609 17.152 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.514 15.866 -0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.094 16.888 -0.390 1.00 0.00 H new ATOM 66 N ALA A 8 1.513 14.775 -1.186 1.00 0.00 N ATOM 67 CA ALA A 8 0.574 13.672 -1.023 1.00 0.00 C ATOM 68 C ALA A 8 1.301 12.332 -0.991 1.00 0.00 C ATOM 69 O ALA A 8 1.960 11.951 -1.958 1.00 0.00 O ATOM 70 CB ALA A 8 -0.459 13.688 -2.140 1.00 0.00 C ATOM 0 H ALA A 8 1.195 15.510 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 8 0.063 13.801 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.153 12.859 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.008 14.629 -2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.044 13.588 -3.102 1.00 0.00 H new ATOM 76 N GLN A 9 1.176 11.622 0.126 1.00 0.00 N ATOM 77 CA GLN A 9 1.824 10.325 0.282 1.00 0.00 C ATOM 78 C GLN A 9 1.293 9.326 -0.740 1.00 0.00 C ATOM 79 O GLN A 9 0.094 9.054 -0.792 1.00 0.00 O ATOM 80 CB GLN A 9 1.604 9.790 1.698 1.00 0.00 C ATOM 81 CG GLN A 9 2.471 10.468 2.746 1.00 0.00 C ATOM 82 CD GLN A 9 3.944 10.155 2.577 1.00 0.00 C ATOM 83 OE1 GLN A 9 4.422 9.107 3.014 1.00 0.00 O ATOM 84 NE2 GLN A 9 4.674 11.063 1.940 1.00 0.00 N ATOM 0 H GLN A 9 0.633 11.923 0.935 1.00 0.00 H new ATOM 0 HA GLN A 9 2.893 10.457 0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.556 9.919 1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.807 8.719 1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.324 11.547 2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.148 10.153 3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.237 11.917 1.594 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.672 10.906 1.796 1.00 0.00 H new ATOM 93 N GLU A 10 2.195 8.781 -1.551 1.00 0.00 N ATOM 94 CA GLU A 10 1.817 7.812 -2.573 1.00 0.00 C ATOM 95 C GLU A 10 2.261 6.406 -2.181 1.00 0.00 C ATOM 96 O GLU A 10 3.259 6.232 -1.480 1.00 0.00 O ATOM 97 CB GLU A 10 2.429 8.195 -3.922 1.00 0.00 C ATOM 98 CG GLU A 10 1.808 9.436 -4.543 1.00 0.00 C ATOM 99 CD GLU A 10 2.520 9.874 -5.808 1.00 0.00 C ATOM 100 OE1 GLU A 10 2.918 8.995 -6.600 1.00 0.00 O ATOM 101 OE2 GLU A 10 2.679 11.097 -6.005 1.00 0.00 O ATOM 0 H GLU A 10 3.192 8.994 -1.520 1.00 0.00 H new ATOM 0 HA GLU A 10 0.731 7.820 -2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.499 8.361 -3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.317 7.359 -4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.760 9.239 -4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.829 10.250 -3.818 1.00 0.00 H new ATOM 108 N TYR A 11 1.514 5.407 -2.637 1.00 0.00 N ATOM 109 CA TYR A 11 1.828 4.017 -2.332 1.00 0.00 C ATOM 110 C TYR A 11 1.832 3.168 -3.600 1.00 0.00 C ATOM 111 O TYR A 11 1.120 3.464 -4.560 1.00 0.00 O ATOM 112 CB TYR A 11 0.820 3.452 -1.330 1.00 0.00 C ATOM 113 CG TYR A 11 0.828 4.164 0.004 1.00 0.00 C ATOM 114 CD1 TYR A 11 0.567 5.526 0.088 1.00 0.00 C ATOM 115 CD2 TYR A 11 1.095 3.475 1.180 1.00 0.00 C ATOM 116 CE1 TYR A 11 0.574 6.181 1.304 1.00 0.00 C ATOM 117 CE2 TYR A 11 1.102 4.121 2.401 1.00 0.00 C ATOM 118 CZ TYR A 11 0.842 5.474 2.458 1.00 0.00 C ATOM 119 OH TYR A 11 0.848 6.123 3.671 1.00 0.00 O ATOM 0 H TYR A 11 0.686 5.534 -3.219 1.00 0.00 H new ATOM 0 HA TYR A 11 2.825 3.985 -1.892 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.180 3.514 -1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.033 2.395 -1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.355 6.082 -0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.301 2.416 1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.371 7.241 1.351 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.310 3.569 3.306 1.00 0.00 H new ATOM 0 HH TYR A 11 1.053 5.482 4.384 1.00 0.00 H new ATOM 129 N ARG A 12 2.639 2.112 -3.595 1.00 0.00 N ATOM 130 CA ARG A 12 2.737 1.220 -4.744 1.00 0.00 C ATOM 131 C ARG A 12 2.323 -0.199 -4.367 1.00 0.00 C ATOM 132 O ARG A 12 2.991 -0.862 -3.574 1.00 0.00 O ATOM 133 CB ARG A 12 4.164 1.217 -5.294 1.00 0.00 C ATOM 134 CG ARG A 12 4.257 0.772 -6.744 1.00 0.00 C ATOM 135 CD ARG A 12 5.656 0.981 -7.302 1.00 0.00 C ATOM 136 NE ARG A 12 6.551 -0.124 -6.965 1.00 0.00 N ATOM 137 CZ ARG A 12 7.823 -0.181 -7.344 1.00 0.00 C ATOM 138 NH1 ARG A 12 8.347 0.798 -8.068 1.00 0.00 N ATOM 139 NH2 ARG A 12 8.573 -1.219 -6.998 1.00 0.00 N ATOM 0 H ARG A 12 3.234 1.853 -2.808 1.00 0.00 H new ATOM 0 HA ARG A 12 2.059 1.586 -5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.581 2.220 -5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.779 0.559 -4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.987 -0.281 -6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.538 1.330 -7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.602 1.086 -8.386 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.067 1.912 -6.911 1.00 0.00 H new ATOM 0 HE ARG A 12 6.179 -0.893 -6.408 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.773 1.598 -8.336 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.324 0.752 -8.358 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.173 -1.974 -6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.550 -1.262 -7.289 1.00 0.00 H new ATOM 153 N ALA A 13 1.216 -0.659 -4.941 1.00 0.00 N ATOM 154 CA ALA A 13 0.713 -2.000 -4.666 1.00 0.00 C ATOM 155 C ALA A 13 1.849 -3.017 -4.640 1.00 0.00 C ATOM 156 O ALA A 13 2.926 -2.775 -5.188 1.00 0.00 O ATOM 157 CB ALA A 13 -0.328 -2.395 -5.703 1.00 0.00 C ATOM 0 H ALA A 13 0.650 -0.123 -5.599 1.00 0.00 H new ATOM 0 HA ALA A 13 0.245 -1.992 -3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.695 -3.398 -5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.159 -1.690 -5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.123 -2.380 -6.695 1.00 0.00 H new ATOM 163 N LEU A 14 1.603 -4.154 -3.999 1.00 0.00 N ATOM 164 CA LEU A 14 2.606 -5.209 -3.900 1.00 0.00 C ATOM 165 C LEU A 14 2.129 -6.481 -4.593 1.00 0.00 C ATOM 166 O LEU A 14 2.933 -7.259 -5.108 1.00 0.00 O ATOM 167 CB LEU A 14 2.924 -5.502 -2.433 1.00 0.00 C ATOM 168 CG LEU A 14 3.772 -4.457 -1.708 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.652 -4.624 -0.201 1.00 0.00 C ATOM 170 CD2 LEU A 14 5.227 -4.557 -2.142 1.00 0.00 C ATOM 0 H LEU A 14 0.718 -4.369 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 14 3.511 -4.863 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.983 -5.615 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.440 -6.461 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 14 3.400 -3.468 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.262 -3.872 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.611 -4.502 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.997 -5.618 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.816 -3.806 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.610 -5.550 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.299 -4.387 -3.216 1.00 0.00 H new ATOM 182 N TYR A 15 0.817 -6.685 -4.605 1.00 0.00 N ATOM 183 CA TYR A 15 0.232 -7.863 -5.235 1.00 0.00 C ATOM 184 C TYR A 15 -1.115 -7.529 -5.870 1.00 0.00 C ATOM 185 O TYR A 15 -1.794 -6.590 -5.454 1.00 0.00 O ATOM 186 CB TYR A 15 0.061 -8.984 -4.209 1.00 0.00 C ATOM 187 CG TYR A 15 1.259 -9.165 -3.304 1.00 0.00 C ATOM 188 CD1 TYR A 15 2.318 -9.983 -3.676 1.00 0.00 C ATOM 189 CD2 TYR A 15 1.332 -8.516 -2.078 1.00 0.00 C ATOM 190 CE1 TYR A 15 3.414 -10.152 -2.852 1.00 0.00 C ATOM 191 CE2 TYR A 15 2.424 -8.677 -1.248 1.00 0.00 C ATOM 192 CZ TYR A 15 3.463 -9.496 -1.639 1.00 0.00 C ATOM 193 OH TYR A 15 4.553 -9.660 -0.816 1.00 0.00 O ATOM 0 H TYR A 15 0.138 -6.050 -4.186 1.00 0.00 H new ATOM 0 HA TYR A 15 0.910 -8.198 -6.020 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.817 -8.775 -3.598 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.132 -9.919 -4.734 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.284 -10.496 -4.626 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.520 -7.874 -1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.228 -10.794 -3.156 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.464 -8.165 -0.298 1.00 0.00 H new ATOM 0 HH TYR A 15 4.431 -9.129 -0.002 1.00 0.00 H new ATOM 203 N ASP A 16 -1.495 -8.306 -6.878 1.00 0.00 N ATOM 204 CA ASP A 16 -2.761 -8.096 -7.570 1.00 0.00 C ATOM 205 C ASP A 16 -3.927 -8.627 -6.743 1.00 0.00 C ATOM 206 O ASP A 16 -3.911 -9.773 -6.292 1.00 0.00 O ATOM 207 CB ASP A 16 -2.738 -8.778 -8.939 1.00 0.00 C ATOM 208 CG ASP A 16 -3.887 -8.339 -9.824 1.00 0.00 C ATOM 209 OD1 ASP A 16 -4.984 -8.923 -9.705 1.00 0.00 O ATOM 210 OD2 ASP A 16 -3.690 -7.411 -10.637 1.00 0.00 O ATOM 0 H ASP A 16 -0.944 -9.087 -7.234 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.897 -7.024 -7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.794 -8.555 -9.437 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.780 -9.859 -8.804 1.00 0.00 H new ATOM 215 N TYR A 17 -4.937 -7.787 -6.547 1.00 0.00 N ATOM 216 CA TYR A 17 -6.111 -8.171 -5.770 1.00 0.00 C ATOM 217 C TYR A 17 -7.384 -8.020 -6.597 1.00 0.00 C ATOM 218 O TYR A 17 -7.494 -7.122 -7.432 1.00 0.00 O ATOM 219 CB TYR A 17 -6.209 -7.322 -4.502 1.00 0.00 C ATOM 220 CG TYR A 17 -7.479 -7.554 -3.715 1.00 0.00 C ATOM 221 CD1 TYR A 17 -7.590 -8.623 -2.836 1.00 0.00 C ATOM 222 CD2 TYR A 17 -8.569 -6.702 -3.851 1.00 0.00 C ATOM 223 CE1 TYR A 17 -8.749 -8.839 -2.116 1.00 0.00 C ATOM 224 CE2 TYR A 17 -9.731 -6.909 -3.134 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.816 -7.979 -2.268 1.00 0.00 C ATOM 226 OH TYR A 17 -10.972 -8.190 -1.551 1.00 0.00 O ATOM 0 H TYR A 17 -4.967 -6.836 -6.915 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.004 -9.219 -5.490 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.352 -7.537 -3.864 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.148 -6.268 -4.775 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.756 -9.298 -2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.506 -5.864 -4.529 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.819 -9.677 -1.438 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.568 -6.237 -3.251 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.602 -7.460 -1.724 1.00 0.00 H new ATOM 236 N THR A 18 -8.346 -8.907 -6.358 1.00 0.00 N ATOM 237 CA THR A 18 -9.612 -8.874 -7.079 1.00 0.00 C ATOM 238 C THR A 18 -10.765 -8.513 -6.150 1.00 0.00 C ATOM 239 O THR A 18 -11.078 -9.252 -5.217 1.00 0.00 O ATOM 240 CB THR A 18 -9.912 -10.229 -7.748 1.00 0.00 C ATOM 241 OG1 THR A 18 -8.805 -10.629 -8.564 1.00 0.00 O ATOM 242 CG2 THR A 18 -11.170 -10.145 -8.599 1.00 0.00 C ATOM 0 H THR A 18 -8.272 -9.657 -5.670 1.00 0.00 H new ATOM 0 HA THR A 18 -9.517 -8.109 -7.850 1.00 0.00 H new ATOM 0 HB THR A 18 -10.071 -10.969 -6.963 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.003 -11.492 -8.984 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.362 -11.113 -9.061 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.017 -9.869 -7.971 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.034 -9.393 -9.376 1.00 0.00 H new ATOM 250 N ALA A 19 -11.393 -7.371 -6.411 1.00 0.00 N ATOM 251 CA ALA A 19 -12.514 -6.914 -5.599 1.00 0.00 C ATOM 252 C ALA A 19 -13.821 -7.552 -6.057 1.00 0.00 C ATOM 253 O ALA A 19 -14.179 -7.478 -7.232 1.00 0.00 O ATOM 254 CB ALA A 19 -12.618 -5.397 -5.652 1.00 0.00 C ATOM 0 H ALA A 19 -11.145 -6.746 -7.178 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.333 -7.220 -4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.459 -5.068 -5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.698 -4.956 -5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.772 -5.079 -6.683 1.00 0.00 H new ATOM 260 N GLN A 20 -14.528 -8.178 -5.122 1.00 0.00 N ATOM 261 CA GLN A 20 -15.794 -8.831 -5.432 1.00 0.00 C ATOM 262 C GLN A 20 -16.923 -7.810 -5.527 1.00 0.00 C ATOM 263 O GLN A 20 -17.665 -7.781 -6.508 1.00 0.00 O ATOM 264 CB GLN A 20 -16.126 -9.878 -4.367 1.00 0.00 C ATOM 265 CG GLN A 20 -15.162 -11.053 -4.348 1.00 0.00 C ATOM 266 CD GLN A 20 -15.053 -11.741 -5.695 1.00 0.00 C ATOM 267 OE1 GLN A 20 -16.016 -12.335 -6.181 1.00 0.00 O ATOM 268 NE2 GLN A 20 -13.877 -11.664 -6.306 1.00 0.00 N ATOM 0 H GLN A 20 -14.246 -8.247 -4.144 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.693 -9.325 -6.398 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.123 -9.401 -3.387 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.136 -10.250 -4.538 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.176 -10.704 -4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.491 -11.775 -3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.106 -11.161 -5.867 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.745 -12.108 -7.215 1.00 0.00 H new ATOM 277 N ASN A 21 -17.048 -6.975 -4.501 1.00 0.00 N ATOM 278 CA ASN A 21 -18.087 -5.953 -4.469 1.00 0.00 C ATOM 279 C ASN A 21 -17.770 -4.823 -5.444 1.00 0.00 C ATOM 280 O ASN A 21 -16.610 -4.528 -5.735 1.00 0.00 O ATOM 281 CB ASN A 21 -18.238 -5.392 -3.053 1.00 0.00 C ATOM 282 CG ASN A 21 -17.974 -6.438 -1.987 1.00 0.00 C ATOM 283 OD1 ASN A 21 -18.429 -7.577 -2.093 1.00 0.00 O ATOM 284 ND2 ASN A 21 -17.237 -6.054 -0.951 1.00 0.00 N ATOM 0 H ASN A 21 -16.442 -6.986 -3.680 1.00 0.00 H new ATOM 0 HA ASN A 21 -19.026 -6.417 -4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -17.548 -4.559 -2.920 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -19.245 -4.995 -2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -17.028 -6.714 -0.202 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -16.880 -5.099 -0.905 1.00 0.00 H new ATOM 291 N PRO A 22 -18.823 -4.174 -5.961 1.00 0.00 N ATOM 292 CA PRO A 22 -18.682 -3.065 -6.910 1.00 0.00 C ATOM 293 C PRO A 22 -18.107 -1.813 -6.258 1.00 0.00 C ATOM 294 O PRO A 22 -17.562 -0.943 -6.936 1.00 0.00 O ATOM 295 CB PRO A 22 -20.118 -2.814 -7.377 1.00 0.00 C ATOM 296 CG PRO A 22 -20.972 -3.308 -6.261 1.00 0.00 C ATOM 297 CD PRO A 22 -20.233 -4.472 -5.659 1.00 0.00 C ATOM 0 HA PRO A 22 -17.992 -3.306 -7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -20.292 -1.755 -7.570 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.331 -3.346 -8.304 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -21.138 -2.526 -5.520 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.952 -3.614 -6.626 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -20.407 -4.547 -4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -20.547 -5.418 -6.099 1.00 0.00 H new ATOM 305 N ASP A 23 -18.233 -1.729 -4.938 1.00 0.00 N ATOM 306 CA ASP A 23 -17.724 -0.583 -4.193 1.00 0.00 C ATOM 307 C ASP A 23 -16.220 -0.706 -3.968 1.00 0.00 C ATOM 308 O ASP A 23 -15.525 0.295 -3.798 1.00 0.00 O ATOM 309 CB ASP A 23 -18.444 -0.460 -2.850 1.00 0.00 C ATOM 310 CG ASP A 23 -19.864 0.050 -2.999 1.00 0.00 C ATOM 311 OD1 ASP A 23 -20.048 1.118 -3.620 1.00 0.00 O ATOM 312 OD2 ASP A 23 -20.791 -0.618 -2.495 1.00 0.00 O ATOM 0 H ASP A 23 -18.683 -2.440 -4.362 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.913 0.315 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -18.460 -1.433 -2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.885 0.215 -2.202 1.00 0.00 H new ATOM 317 N GLU A 24 -15.725 -1.940 -3.968 1.00 0.00 N ATOM 318 CA GLU A 24 -14.304 -2.192 -3.762 1.00 0.00 C ATOM 319 C GLU A 24 -13.517 -1.957 -5.048 1.00 0.00 C ATOM 320 O GLU A 24 -14.097 -1.742 -6.114 1.00 0.00 O ATOM 321 CB GLU A 24 -14.084 -3.625 -3.271 1.00 0.00 C ATOM 322 CG GLU A 24 -14.139 -3.766 -1.760 1.00 0.00 C ATOM 323 CD GLU A 24 -13.350 -4.958 -1.255 1.00 0.00 C ATOM 324 OE1 GLU A 24 -12.990 -5.824 -2.080 1.00 0.00 O ATOM 325 OE2 GLU A 24 -13.092 -5.025 -0.035 1.00 0.00 O ATOM 0 H GLU A 24 -16.287 -2.780 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.944 -1.496 -3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.840 -4.272 -3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.115 -3.977 -3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.751 -2.857 -1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.178 -3.864 -1.446 1.00 0.00 H new ATOM 332 N LEU A 25 -12.194 -1.999 -4.941 1.00 0.00 N ATOM 333 CA LEU A 25 -11.326 -1.789 -6.095 1.00 0.00 C ATOM 334 C LEU A 25 -10.237 -2.856 -6.158 1.00 0.00 C ATOM 335 O LEU A 25 -9.716 -3.286 -5.128 1.00 0.00 O ATOM 336 CB LEU A 25 -10.692 -0.399 -6.036 1.00 0.00 C ATOM 337 CG LEU A 25 -11.512 0.740 -6.642 1.00 0.00 C ATOM 338 CD1 LEU A 25 -10.817 2.074 -6.423 1.00 0.00 C ATOM 339 CD2 LEU A 25 -11.747 0.496 -8.126 1.00 0.00 C ATOM 0 H LEU A 25 -11.698 -2.176 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.936 -1.864 -6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.489 -0.158 -4.992 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.730 -0.439 -6.547 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.480 0.772 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.416 2.872 -6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.701 2.253 -5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.835 2.055 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.332 1.316 -8.541 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.788 0.437 -8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.289 -0.440 -8.259 1.00 0.00 H new ATOM 351 N ASP A 26 -9.897 -3.276 -7.371 1.00 0.00 N ATOM 352 CA ASP A 26 -8.867 -4.289 -7.568 1.00 0.00 C ATOM 353 C ASP A 26 -7.490 -3.646 -7.700 1.00 0.00 C ATOM 354 O ASP A 26 -7.274 -2.784 -8.553 1.00 0.00 O ATOM 355 CB ASP A 26 -9.174 -5.124 -8.812 1.00 0.00 C ATOM 356 CG ASP A 26 -9.572 -4.270 -9.999 1.00 0.00 C ATOM 357 OD1 ASP A 26 -8.750 -3.435 -10.431 1.00 0.00 O ATOM 358 OD2 ASP A 26 -10.706 -4.435 -10.496 1.00 0.00 O ATOM 0 H ASP A 26 -10.319 -2.931 -8.233 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.862 -4.941 -6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.298 -5.718 -9.073 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.978 -5.825 -8.586 1.00 0.00 H new ATOM 363 N LEU A 27 -6.561 -4.070 -6.850 1.00 0.00 N ATOM 364 CA LEU A 27 -5.204 -3.534 -6.871 1.00 0.00 C ATOM 365 C LEU A 27 -4.357 -4.237 -7.927 1.00 0.00 C ATOM 366 O LEU A 27 -4.833 -5.135 -8.621 1.00 0.00 O ATOM 367 CB LEU A 27 -4.553 -3.687 -5.495 1.00 0.00 C ATOM 368 CG LEU A 27 -5.185 -2.880 -4.360 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.600 -3.295 -3.019 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.986 -1.389 -4.592 1.00 0.00 C ATOM 0 H LEU A 27 -6.722 -4.783 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.262 -2.475 -7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.575 -4.742 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.504 -3.401 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.255 -3.086 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.062 -2.710 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.794 -4.354 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.524 -3.119 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.442 -0.830 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.920 -1.166 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.454 -1.102 -5.534 1.00 0.00 H new ATOM 382 N SER A 28 -3.099 -3.824 -8.041 1.00 0.00 N ATOM 383 CA SER A 28 -2.186 -4.413 -9.013 1.00 0.00 C ATOM 384 C SER A 28 -0.767 -3.890 -8.812 1.00 0.00 C ATOM 385 O SER A 28 -0.530 -2.682 -8.829 1.00 0.00 O ATOM 386 CB SER A 28 -2.657 -4.108 -10.436 1.00 0.00 C ATOM 387 OG SER A 28 -1.752 -4.628 -11.395 1.00 0.00 O ATOM 0 H SER A 28 -2.689 -3.084 -7.472 1.00 0.00 H new ATOM 0 HA SER A 28 -2.181 -5.493 -8.863 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.646 -4.537 -10.595 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.752 -3.030 -10.568 1.00 0.00 H new ATOM 0 HG SER A 28 -2.076 -4.421 -12.296 1.00 0.00 H new ATOM 393 N ALA A 29 0.174 -4.809 -8.622 1.00 0.00 N ATOM 394 CA ALA A 29 1.571 -4.442 -8.419 1.00 0.00 C ATOM 395 C ALA A 29 2.030 -3.431 -9.465 1.00 0.00 C ATOM 396 O ALA A 29 1.965 -3.692 -10.665 1.00 0.00 O ATOM 397 CB ALA A 29 2.453 -5.681 -8.457 1.00 0.00 C ATOM 0 H ALA A 29 -0.005 -5.813 -8.604 1.00 0.00 H new ATOM 0 HA ALA A 29 1.660 -3.976 -7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.493 -5.392 -8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.148 -6.369 -7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.351 -6.171 -9.425 1.00 0.00 H new ATOM 403 N GLY A 30 2.494 -2.275 -9.000 1.00 0.00 N ATOM 404 CA GLY A 30 2.956 -1.242 -9.909 1.00 0.00 C ATOM 405 C GLY A 30 1.942 -0.130 -10.087 1.00 0.00 C ATOM 406 O GLY A 30 2.082 0.711 -10.975 1.00 0.00 O ATOM 0 H GLY A 30 2.558 -2.035 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.889 -0.822 -9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.176 -1.688 -10.879 1.00 0.00 H new ATOM 410 N ASP A 31 0.916 -0.126 -9.243 1.00 0.00 N ATOM 411 CA ASP A 31 -0.127 0.891 -9.311 1.00 0.00 C ATOM 412 C ASP A 31 0.089 1.963 -8.247 1.00 0.00 C ATOM 413 O ASP A 31 0.319 1.653 -7.078 1.00 0.00 O ATOM 414 CB ASP A 31 -1.505 0.251 -9.136 1.00 0.00 C ATOM 415 CG ASP A 31 -1.998 -0.419 -10.404 1.00 0.00 C ATOM 416 OD1 ASP A 31 -1.280 -1.296 -10.929 1.00 0.00 O ATOM 417 OD2 ASP A 31 -3.101 -0.067 -10.870 1.00 0.00 O ATOM 0 H ASP A 31 0.784 -0.816 -8.503 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.076 1.363 -10.292 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.461 -0.485 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.221 1.014 -8.830 1.00 0.00 H new ATOM 422 N ILE A 32 0.014 3.223 -8.661 1.00 0.00 N ATOM 423 CA ILE A 32 0.200 4.340 -7.744 1.00 0.00 C ATOM 424 C ILE A 32 -1.137 4.851 -7.220 1.00 0.00 C ATOM 425 O ILE A 32 -1.940 5.406 -7.971 1.00 0.00 O ATOM 426 CB ILE A 32 0.952 5.503 -8.419 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.335 5.043 -8.884 1.00 0.00 C ATOM 428 CG2 ILE A 32 1.073 6.681 -7.463 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.103 4.275 -7.830 1.00 0.00 C ATOM 0 H ILE A 32 -0.174 3.496 -9.626 1.00 0.00 H new ATOM 0 HA ILE A 32 0.795 3.967 -6.910 1.00 0.00 H new ATOM 0 HB ILE A 32 0.385 5.825 -9.292 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.222 4.416 -9.768 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.917 5.915 -9.183 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.607 7.495 -7.954 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.078 7.021 -7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.622 6.372 -6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.074 3.981 -8.229 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.248 4.906 -6.953 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.542 3.384 -7.547 1.00 0.00 H new ATOM 441 N LEU A 33 -1.371 4.662 -5.926 1.00 0.00 N ATOM 442 CA LEU A 33 -2.611 5.105 -5.299 1.00 0.00 C ATOM 443 C LEU A 33 -2.324 5.958 -4.067 1.00 0.00 C ATOM 444 O LEU A 33 -1.276 5.822 -3.438 1.00 0.00 O ATOM 445 CB LEU A 33 -3.468 3.899 -4.910 1.00 0.00 C ATOM 446 CG LEU A 33 -3.746 2.887 -6.022 1.00 0.00 C ATOM 447 CD1 LEU A 33 -2.554 1.962 -6.211 1.00 0.00 C ATOM 448 CD2 LEU A 33 -5.002 2.085 -5.711 1.00 0.00 C ATOM 0 H LEU A 33 -0.718 4.205 -5.290 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.157 5.713 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.976 3.379 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.423 4.264 -4.531 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.908 3.432 -6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.770 1.248 -7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.676 2.550 -6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.361 1.424 -5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.185 1.370 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.869 1.550 -4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.853 2.760 -5.626 1.00 0.00 H new ATOM 460 N GLU A 34 -3.265 6.835 -3.729 1.00 0.00 N ATOM 461 CA GLU A 34 -3.113 7.708 -2.571 1.00 0.00 C ATOM 462 C GLU A 34 -4.026 7.265 -1.432 1.00 0.00 C ATOM 463 O GLU A 34 -5.241 7.162 -1.599 1.00 0.00 O ATOM 464 CB GLU A 34 -3.422 9.157 -2.954 1.00 0.00 C ATOM 465 CG GLU A 34 -2.858 10.178 -1.980 1.00 0.00 C ATOM 466 CD GLU A 34 -3.616 10.212 -0.667 1.00 0.00 C ATOM 467 OE1 GLU A 34 -4.797 10.615 -0.673 1.00 0.00 O ATOM 468 OE2 GLU A 34 -3.026 9.835 0.368 1.00 0.00 O ATOM 0 H GLU A 34 -4.139 6.959 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.080 7.642 -2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.020 9.355 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.503 9.285 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.811 9.948 -1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.888 11.167 -2.438 1.00 0.00 H new ATOM 475 N VAL A 35 -3.431 7.004 -0.272 1.00 0.00 N ATOM 476 CA VAL A 35 -4.189 6.572 0.896 1.00 0.00 C ATOM 477 C VAL A 35 -4.851 7.757 1.590 1.00 0.00 C ATOM 478 O VAL A 35 -4.180 8.573 2.222 1.00 0.00 O ATOM 479 CB VAL A 35 -3.291 5.836 1.907 1.00 0.00 C ATOM 480 CG1 VAL A 35 -4.098 5.404 3.122 1.00 0.00 C ATOM 481 CG2 VAL A 35 -2.619 4.640 1.251 1.00 0.00 C ATOM 0 H VAL A 35 -2.426 7.084 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.958 5.887 0.539 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.513 6.522 2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.447 4.885 3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.528 6.282 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.899 4.735 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.988 4.132 1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.380 3.950 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.007 4.980 0.416 1.00 0.00 H new ATOM 491 N ILE A 36 -6.172 7.845 1.467 1.00 0.00 N ATOM 492 CA ILE A 36 -6.925 8.930 2.084 1.00 0.00 C ATOM 493 C ILE A 36 -7.042 8.730 3.591 1.00 0.00 C ATOM 494 O ILE A 36 -6.800 9.653 4.371 1.00 0.00 O ATOM 495 CB ILE A 36 -8.338 9.047 1.482 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.257 9.187 -0.040 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.076 10.231 2.090 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.828 10.563 -0.498 1.00 0.00 C ATOM 0 H ILE A 36 -6.742 7.178 0.946 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.376 9.850 1.883 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.894 8.139 1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.555 8.449 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.232 8.957 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.073 10.301 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.160 10.093 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.525 11.148 1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.792 10.589 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.542 11.305 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.840 10.788 -0.097 1.00 0.00 H new ATOM 510 N LEU A 37 -7.412 7.520 3.995 1.00 0.00 N ATOM 511 CA LEU A 37 -7.559 7.198 5.410 1.00 0.00 C ATOM 512 C LEU A 37 -7.119 5.764 5.691 1.00 0.00 C ATOM 513 O LEU A 37 -7.236 4.890 4.833 1.00 0.00 O ATOM 514 CB LEU A 37 -9.011 7.392 5.850 1.00 0.00 C ATOM 515 CG LEU A 37 -9.244 7.531 7.354 1.00 0.00 C ATOM 516 CD1 LEU A 37 -8.821 8.910 7.836 1.00 0.00 C ATOM 517 CD2 LEU A 37 -10.705 7.270 7.694 1.00 0.00 C ATOM 0 H LEU A 37 -7.616 6.746 3.363 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.920 7.874 5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.403 8.282 5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.595 6.546 5.489 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.634 6.787 7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.995 8.989 8.909 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.761 9.059 7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.403 9.671 7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.852 7.373 8.769 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.335 7.990 7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.975 6.260 7.386 1.00 0.00 H new ATOM 529 N GLU A 38 -6.614 5.532 6.898 1.00 0.00 N ATOM 530 CA GLU A 38 -6.157 4.204 7.291 1.00 0.00 C ATOM 531 C GLU A 38 -7.203 3.502 8.153 1.00 0.00 C ATOM 532 O GLU A 38 -7.460 3.903 9.287 1.00 0.00 O ATOM 533 CB GLU A 38 -4.834 4.300 8.054 1.00 0.00 C ATOM 534 CG GLU A 38 -3.712 4.931 7.248 1.00 0.00 C ATOM 535 CD GLU A 38 -3.761 6.446 7.267 1.00 0.00 C ATOM 536 OE1 GLU A 38 -3.451 7.038 8.322 1.00 0.00 O ATOM 537 OE2 GLU A 38 -4.109 7.041 6.225 1.00 0.00 O ATOM 0 H GLU A 38 -6.511 6.245 7.620 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.004 3.618 6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.989 4.882 8.962 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.530 3.300 8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.753 4.597 7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.770 4.582 6.217 1.00 0.00 H new ATOM 544 N GLY A 39 -7.806 2.451 7.604 1.00 0.00 N ATOM 545 CA GLY A 39 -8.817 1.710 8.334 1.00 0.00 C ATOM 546 C GLY A 39 -8.243 0.955 9.516 1.00 0.00 C ATOM 547 O GLY A 39 -7.263 0.223 9.375 1.00 0.00 O ATOM 0 H GLY A 39 -7.612 2.100 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.585 2.399 8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.305 1.006 7.660 1.00 0.00 H new ATOM 551 N GLU A 40 -8.852 1.133 10.684 1.00 0.00 N ATOM 552 CA GLU A 40 -8.392 0.463 11.895 1.00 0.00 C ATOM 553 C GLU A 40 -8.537 -1.051 11.768 1.00 0.00 C ATOM 554 O GLU A 40 -7.671 -1.807 12.208 1.00 0.00 O ATOM 555 CB GLU A 40 -9.177 0.961 13.110 1.00 0.00 C ATOM 556 CG GLU A 40 -8.607 2.228 13.725 1.00 0.00 C ATOM 557 CD GLU A 40 -9.588 2.920 14.652 1.00 0.00 C ATOM 558 OE1 GLU A 40 -10.517 3.581 14.143 1.00 0.00 O ATOM 559 OE2 GLU A 40 -9.426 2.800 15.884 1.00 0.00 O ATOM 0 H GLU A 40 -9.665 1.735 10.817 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.337 0.700 12.031 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.210 1.144 12.815 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.196 0.176 13.866 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.701 1.983 14.279 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.318 2.915 12.930 1.00 0.00 H new ATOM 566 N ASP A 41 -9.637 -1.485 11.163 1.00 0.00 N ATOM 567 CA ASP A 41 -9.897 -2.908 10.977 1.00 0.00 C ATOM 568 C ASP A 41 -8.920 -3.512 9.973 1.00 0.00 C ATOM 569 O ASP A 41 -8.436 -4.628 10.156 1.00 0.00 O ATOM 570 CB ASP A 41 -11.334 -3.128 10.504 1.00 0.00 C ATOM 571 CG ASP A 41 -11.886 -4.473 10.935 1.00 0.00 C ATOM 572 OD1 ASP A 41 -11.351 -5.050 11.905 1.00 0.00 O ATOM 573 OD2 ASP A 41 -12.853 -4.947 10.303 1.00 0.00 O ATOM 0 H ASP A 41 -10.363 -0.872 10.793 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.758 -3.406 11.937 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.969 -2.335 10.899 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.371 -3.055 9.417 1.00 0.00 H new ATOM 578 N GLY A 42 -8.635 -2.766 8.909 1.00 0.00 N ATOM 579 CA GLY A 42 -7.718 -3.244 7.891 1.00 0.00 C ATOM 580 C GLY A 42 -8.071 -2.736 6.508 1.00 0.00 C ATOM 581 O GLY A 42 -7.226 -2.713 5.613 1.00 0.00 O ATOM 0 H GLY A 42 -9.023 -1.839 8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.705 -2.930 8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.722 -4.334 7.886 1.00 0.00 H new ATOM 585 N TRP A 43 -9.323 -2.330 6.330 1.00 0.00 N ATOM 586 CA TRP A 43 -9.787 -1.821 5.044 1.00 0.00 C ATOM 587 C TRP A 43 -9.347 -0.376 4.840 1.00 0.00 C ATOM 588 O TRP A 43 -9.935 0.547 5.405 1.00 0.00 O ATOM 589 CB TRP A 43 -11.310 -1.922 4.952 1.00 0.00 C ATOM 590 CG TRP A 43 -11.806 -3.331 4.830 1.00 0.00 C ATOM 591 CD1 TRP A 43 -12.552 -4.019 5.743 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.589 -4.224 3.732 1.00 0.00 C ATOM 593 NE1 TRP A 43 -12.812 -5.286 5.280 1.00 0.00 N ATOM 594 CE2 TRP A 43 -12.233 -5.437 4.048 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.915 -4.117 2.513 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -12.220 -6.531 3.188 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.903 -5.205 1.660 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.553 -6.399 2.000 1.00 0.00 C ATOM 0 H TRP A 43 -10.035 -2.343 7.060 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.342 -2.431 4.258 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.751 -1.465 5.837 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.654 -1.348 4.092 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.889 -3.625 6.691 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.349 -5.999 5.774 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.412 -3.201 2.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.719 -7.453 3.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.384 -5.133 0.716 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.527 -7.231 1.312 1.00 0.00 H new ATOM 609 N TRP A 44 -8.311 -0.186 4.031 1.00 0.00 N ATOM 610 CA TRP A 44 -7.794 1.149 3.753 1.00 0.00 C ATOM 611 C TRP A 44 -8.578 1.814 2.628 1.00 0.00 C ATOM 612 O TRP A 44 -9.166 1.137 1.783 1.00 0.00 O ATOM 613 CB TRP A 44 -6.311 1.077 3.385 1.00 0.00 C ATOM 614 CG TRP A 44 -5.418 0.827 4.562 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.737 0.149 5.704 1.00 0.00 C ATOM 616 CD2 TRP A 44 -4.059 1.253 4.713 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.659 0.128 6.556 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.617 0.798 5.971 1.00 0.00 C ATOM 619 CE3 TRP A 44 -3.173 1.973 3.908 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -2.329 1.042 6.439 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.895 2.214 4.374 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.482 1.749 5.630 1.00 0.00 C ATOM 0 H TRP A 44 -7.813 -0.939 3.556 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.909 1.751 4.655 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.164 0.284 2.652 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -6.017 2.011 2.907 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.696 -0.304 5.908 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.638 -0.315 7.475 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.482 2.335 2.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.009 0.686 7.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.202 2.770 3.760 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.476 1.953 5.966 1.00 0.00 H new ATOM 633 N THR A 45 -8.584 3.143 2.621 1.00 0.00 N ATOM 634 CA THR A 45 -9.297 3.899 1.599 1.00 0.00 C ATOM 635 C THR A 45 -8.327 4.588 0.646 1.00 0.00 C ATOM 636 O THR A 45 -7.651 5.547 1.019 1.00 0.00 O ATOM 637 CB THR A 45 -10.222 4.959 2.227 1.00 0.00 C ATOM 638 OG1 THR A 45 -11.192 4.326 3.068 1.00 0.00 O ATOM 639 CG2 THR A 45 -10.928 5.768 1.149 1.00 0.00 C ATOM 0 H THR A 45 -8.103 3.718 3.312 1.00 0.00 H new ATOM 0 HA THR A 45 -9.902 3.183 1.042 1.00 0.00 H new ATOM 0 HB THR A 45 -9.610 5.635 2.824 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.775 5.007 3.465 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.575 6.510 1.616 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.187 6.272 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.528 5.102 0.529 1.00 0.00 H new ATOM 647 N VAL A 46 -8.263 4.093 -0.586 1.00 0.00 N ATOM 648 CA VAL A 46 -7.376 4.663 -1.593 1.00 0.00 C ATOM 649 C VAL A 46 -8.160 5.133 -2.813 1.00 0.00 C ATOM 650 O VAL A 46 -9.321 4.768 -2.995 1.00 0.00 O ATOM 651 CB VAL A 46 -6.310 3.645 -2.042 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.409 3.266 -0.877 1.00 0.00 C ATOM 653 CG2 VAL A 46 -6.970 2.412 -2.640 1.00 0.00 C ATOM 0 H VAL A 46 -8.815 3.299 -0.911 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.881 5.518 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.692 4.108 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.663 2.546 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.909 4.158 -0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.009 2.822 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.203 1.704 -2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.613 1.945 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.568 2.702 -3.504 1.00 0.00 H new ATOM 663 N GLU A 47 -7.516 5.944 -3.647 1.00 0.00 N ATOM 664 CA GLU A 47 -8.154 6.464 -4.851 1.00 0.00 C ATOM 665 C GLU A 47 -7.522 5.865 -6.104 1.00 0.00 C ATOM 666 O GLU A 47 -6.303 5.711 -6.184 1.00 0.00 O ATOM 667 CB GLU A 47 -8.048 7.990 -4.892 1.00 0.00 C ATOM 668 CG GLU A 47 -9.212 8.699 -4.219 1.00 0.00 C ATOM 669 CD GLU A 47 -8.826 10.058 -3.668 1.00 0.00 C ATOM 670 OE1 GLU A 47 -7.616 10.297 -3.473 1.00 0.00 O ATOM 671 OE2 GLU A 47 -9.734 10.882 -3.432 1.00 0.00 O ATOM 0 H GLU A 47 -6.554 6.255 -3.511 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.206 6.181 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.120 8.294 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.988 8.314 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.024 8.819 -4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.592 8.077 -3.409 1.00 0.00 H new ATOM 678 N ARG A 48 -8.359 5.529 -7.080 1.00 0.00 N ATOM 679 CA ARG A 48 -7.884 4.946 -8.328 1.00 0.00 C ATOM 680 C ARG A 48 -8.355 5.765 -9.526 1.00 0.00 C ATOM 681 O ARG A 48 -9.465 5.576 -10.022 1.00 0.00 O ATOM 682 CB ARG A 48 -8.372 3.502 -8.460 1.00 0.00 C ATOM 683 CG ARG A 48 -7.821 2.782 -9.680 1.00 0.00 C ATOM 684 CD ARG A 48 -6.453 2.179 -9.399 1.00 0.00 C ATOM 685 NE ARG A 48 -5.666 2.019 -10.619 1.00 0.00 N ATOM 686 CZ ARG A 48 -5.255 3.036 -11.368 1.00 0.00 C ATOM 687 NH1 ARG A 48 -5.556 4.280 -11.024 1.00 0.00 N ATOM 688 NH2 ARG A 48 -4.542 2.809 -12.464 1.00 0.00 N ATOM 0 H ARG A 48 -9.370 5.651 -7.030 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.794 4.954 -8.311 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.090 2.949 -7.564 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.461 3.498 -8.507 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.512 1.995 -9.982 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.748 3.480 -10.514 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.912 2.816 -8.699 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.576 1.209 -8.917 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.418 1.074 -10.912 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.104 4.458 -10.183 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.239 5.059 -11.601 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.309 1.853 -12.732 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.227 3.591 -13.038 1.00 0.00 H new ATOM 702 N ASN A 49 -7.504 6.677 -9.984 1.00 0.00 N ATOM 703 CA ASN A 49 -7.834 7.527 -11.123 1.00 0.00 C ATOM 704 C ASN A 49 -9.139 8.279 -10.880 1.00 0.00 C ATOM 705 O ASN A 49 -9.944 8.456 -11.793 1.00 0.00 O ATOM 706 CB ASN A 49 -7.945 6.687 -12.397 1.00 0.00 C ATOM 707 CG ASN A 49 -7.710 7.506 -13.652 1.00 0.00 C ATOM 708 OD1 ASN A 49 -6.568 7.755 -14.039 1.00 0.00 O ATOM 709 ND2 ASN A 49 -8.793 7.929 -14.293 1.00 0.00 N ATOM 0 H ASN A 49 -6.581 6.847 -9.584 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.033 8.256 -11.245 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.221 5.873 -12.357 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.934 6.232 -12.444 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.698 8.485 -15.143 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.720 7.698 -13.935 1.00 0.00 H new ATOM 716 N GLY A 50 -9.341 8.719 -9.642 1.00 0.00 N ATOM 717 CA GLY A 50 -10.549 9.447 -9.301 1.00 0.00 C ATOM 718 C GLY A 50 -11.546 8.594 -8.544 1.00 0.00 C ATOM 719 O GLY A 50 -12.328 9.106 -7.743 1.00 0.00 O ATOM 0 H GLY A 50 -8.689 8.584 -8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.287 10.316 -8.698 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.014 9.821 -10.213 1.00 0.00 H new ATOM 723 N GLN A 51 -11.519 7.289 -8.797 1.00 0.00 N ATOM 724 CA GLN A 51 -12.430 6.364 -8.134 1.00 0.00 C ATOM 725 C GLN A 51 -11.978 6.086 -6.704 1.00 0.00 C ATOM 726 O GLN A 51 -10.879 6.470 -6.305 1.00 0.00 O ATOM 727 CB GLN A 51 -12.518 5.053 -8.918 1.00 0.00 C ATOM 728 CG GLN A 51 -13.580 5.064 -10.005 1.00 0.00 C ATOM 729 CD GLN A 51 -13.248 6.018 -11.135 1.00 0.00 C ATOM 730 OE1 GLN A 51 -12.079 6.239 -11.453 1.00 0.00 O ATOM 731 NE2 GLN A 51 -14.277 6.588 -11.751 1.00 0.00 N ATOM 0 H GLN A 51 -10.876 6.849 -9.456 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.417 6.826 -8.100 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.549 4.845 -9.371 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.728 4.238 -8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.694 4.057 -10.406 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.539 5.344 -9.568 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.230 6.376 -11.455 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.115 7.238 -12.520 1.00 0.00 H new ATOM 740 N ARG A 52 -12.833 5.416 -5.938 1.00 0.00 N ATOM 741 CA ARG A 52 -12.522 5.089 -4.552 1.00 0.00 C ATOM 742 C ARG A 52 -12.966 3.667 -4.217 1.00 0.00 C ATOM 743 O ARG A 52 -14.112 3.291 -4.456 1.00 0.00 O ATOM 744 CB ARG A 52 -13.200 6.082 -3.606 1.00 0.00 C ATOM 745 CG ARG A 52 -12.478 6.249 -2.279 1.00 0.00 C ATOM 746 CD ARG A 52 -12.871 7.547 -1.591 1.00 0.00 C ATOM 747 NE ARG A 52 -14.244 7.511 -1.096 1.00 0.00 N ATOM 748 CZ ARG A 52 -14.715 8.342 -0.173 1.00 0.00 C ATOM 749 NH1 ARG A 52 -13.927 9.269 0.353 1.00 0.00 N ATOM 750 NH2 ARG A 52 -15.977 8.246 0.226 1.00 0.00 N ATOM 0 H ARG A 52 -13.746 5.089 -6.254 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.442 5.155 -4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.267 7.052 -4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.221 5.750 -3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.711 5.406 -1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.401 6.236 -2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.191 7.737 -0.760 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.760 8.376 -2.290 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.876 6.809 -1.480 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.956 9.346 0.049 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.291 9.906 1.062 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.586 7.534 -0.176 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.338 8.885 0.935 1.00 0.00 H new ATOM 764 N GLY A 53 -12.047 2.882 -3.662 1.00 0.00 N ATOM 765 CA GLY A 53 -12.362 1.511 -3.303 1.00 0.00 C ATOM 766 C GLY A 53 -11.685 1.078 -2.018 1.00 0.00 C ATOM 767 O GLY A 53 -10.662 1.640 -1.627 1.00 0.00 O ATOM 0 H GLY A 53 -11.091 3.171 -3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.441 1.406 -3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.057 0.848 -4.112 1.00 0.00 H new ATOM 771 N PHE A 54 -12.258 0.076 -1.358 1.00 0.00 N ATOM 772 CA PHE A 54 -11.704 -0.431 -0.108 1.00 0.00 C ATOM 773 C PHE A 54 -10.778 -1.616 -0.365 1.00 0.00 C ATOM 774 O PHE A 54 -11.174 -2.607 -0.977 1.00 0.00 O ATOM 775 CB PHE A 54 -12.830 -0.845 0.842 1.00 0.00 C ATOM 776 CG PHE A 54 -13.944 0.158 0.924 1.00 0.00 C ATOM 777 CD1 PHE A 54 -13.893 1.198 1.839 1.00 0.00 C ATOM 778 CD2 PHE A 54 -15.043 0.063 0.086 1.00 0.00 C ATOM 779 CE1 PHE A 54 -14.918 2.122 1.917 1.00 0.00 C ATOM 780 CE2 PHE A 54 -16.071 0.984 0.159 1.00 0.00 C ATOM 781 CZ PHE A 54 -16.008 2.015 1.075 1.00 0.00 C ATOM 0 H PHE A 54 -13.105 -0.400 -1.668 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.123 0.367 0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.237 -1.802 0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.416 -0.998 1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.043 1.287 2.499 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.097 -0.741 -0.633 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.867 2.927 2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.922 0.897 -0.500 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.809 2.737 1.133 1.00 0.00 H new ATOM 791 N VAL A 55 -9.540 -1.505 0.108 1.00 0.00 N ATOM 792 CA VAL A 55 -8.557 -2.567 -0.069 1.00 0.00 C ATOM 793 C VAL A 55 -7.652 -2.686 1.153 1.00 0.00 C ATOM 794 O VAL A 55 -7.401 -1.716 1.868 1.00 0.00 O ATOM 795 CB VAL A 55 -7.687 -2.324 -1.316 1.00 0.00 C ATOM 796 CG1 VAL A 55 -8.555 -2.217 -2.560 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.839 -1.073 -1.139 1.00 0.00 C ATOM 0 H VAL A 55 -9.195 -0.691 0.616 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.113 -3.495 -0.198 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.017 -3.175 -1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.923 -2.045 -3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.114 -3.143 -2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.251 -1.386 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.231 -0.917 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.489 -0.211 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.189 -1.194 -0.272 1.00 0.00 H new ATOM 807 N PRO A 56 -7.148 -3.905 1.398 1.00 0.00 N ATOM 808 CA PRO A 56 -6.262 -4.181 2.533 1.00 0.00 C ATOM 809 C PRO A 56 -4.888 -3.540 2.365 1.00 0.00 C ATOM 810 O PRO A 56 -4.281 -3.621 1.299 1.00 0.00 O ATOM 811 CB PRO A 56 -6.143 -5.707 2.528 1.00 0.00 C ATOM 812 CG PRO A 56 -6.409 -6.103 1.116 1.00 0.00 C ATOM 813 CD PRO A 56 -7.404 -5.107 0.587 1.00 0.00 C ATOM 0 HA PRO A 56 -6.655 -3.773 3.464 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.152 -6.028 2.849 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.862 -6.162 3.209 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.492 -6.089 0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.806 -7.117 1.063 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.254 -4.914 -0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.428 -5.461 0.705 1.00 0.00 H new ATOM 821 N GLY A 57 -4.404 -2.902 3.427 1.00 0.00 N ATOM 822 CA GLY A 57 -3.106 -2.256 3.376 1.00 0.00 C ATOM 823 C GLY A 57 -1.987 -3.228 3.056 1.00 0.00 C ATOM 824 O GLY A 57 -1.047 -2.888 2.338 1.00 0.00 O ATOM 0 H GLY A 57 -4.888 -2.821 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.125 -1.468 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.904 -1.777 4.334 1.00 0.00 H new ATOM 828 N SER A 58 -2.088 -4.440 3.592 1.00 0.00 N ATOM 829 CA SER A 58 -1.073 -5.463 3.364 1.00 0.00 C ATOM 830 C SER A 58 -0.690 -5.529 1.889 1.00 0.00 C ATOM 831 O SER A 58 0.406 -5.967 1.539 1.00 0.00 O ATOM 832 CB SER A 58 -1.581 -6.828 3.833 1.00 0.00 C ATOM 833 OG SER A 58 -1.494 -6.947 5.242 1.00 0.00 O ATOM 0 H SER A 58 -2.861 -4.738 4.187 1.00 0.00 H new ATOM 0 HA SER A 58 -0.187 -5.196 3.939 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.615 -6.963 3.517 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.997 -7.619 3.361 1.00 0.00 H new ATOM 0 HG SER A 58 -1.826 -7.827 5.517 1.00 0.00 H new ATOM 839 N TYR A 59 -1.602 -5.091 1.027 1.00 0.00 N ATOM 840 CA TYR A 59 -1.362 -5.102 -0.411 1.00 0.00 C ATOM 841 C TYR A 59 -0.894 -3.734 -0.896 1.00 0.00 C ATOM 842 O TYR A 59 -1.142 -3.349 -2.039 1.00 0.00 O ATOM 843 CB TYR A 59 -2.633 -5.513 -1.157 1.00 0.00 C ATOM 844 CG TYR A 59 -2.934 -6.992 -1.072 1.00 0.00 C ATOM 845 CD1 TYR A 59 -3.327 -7.573 0.127 1.00 0.00 C ATOM 846 CD2 TYR A 59 -2.826 -7.808 -2.192 1.00 0.00 C ATOM 847 CE1 TYR A 59 -3.603 -8.924 0.209 1.00 0.00 C ATOM 848 CE2 TYR A 59 -3.101 -9.160 -2.119 1.00 0.00 C ATOM 849 CZ TYR A 59 -3.488 -9.714 -0.916 1.00 0.00 C ATOM 850 OH TYR A 59 -3.763 -11.060 -0.838 1.00 0.00 O ATOM 0 H TYR A 59 -2.514 -4.724 1.300 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.576 -5.828 -0.617 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.478 -4.955 -0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.536 -5.230 -2.205 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.418 -6.958 1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.522 -7.378 -3.135 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.907 -9.360 1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.014 -9.780 -2.999 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.635 -11.472 -1.718 1.00 0.00 H new ATOM 860 N LEU A 60 -0.214 -3.004 -0.019 1.00 0.00 N ATOM 861 CA LEU A 60 0.291 -1.677 -0.355 1.00 0.00 C ATOM 862 C LEU A 60 1.708 -1.484 0.174 1.00 0.00 C ATOM 863 O LEU A 60 2.089 -2.076 1.184 1.00 0.00 O ATOM 864 CB LEU A 60 -0.631 -0.598 0.215 1.00 0.00 C ATOM 865 CG LEU A 60 -2.030 -0.518 -0.397 1.00 0.00 C ATOM 866 CD1 LEU A 60 -2.964 0.269 0.509 1.00 0.00 C ATOM 867 CD2 LEU A 60 -1.971 0.110 -1.782 1.00 0.00 C ATOM 0 H LEU A 60 0.001 -3.309 0.931 1.00 0.00 H new ATOM 0 HA LEU A 60 0.313 -1.588 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.734 -0.766 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.146 0.370 0.089 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.422 -1.530 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.955 0.316 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.030 -0.223 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.577 1.280 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.975 0.159 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.559 1.117 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.336 -0.495 -2.429 1.00 0.00 H new ATOM 879 N GLU A 61 2.483 -0.650 -0.512 1.00 0.00 N ATOM 880 CA GLU A 61 3.858 -0.378 -0.109 1.00 0.00 C ATOM 881 C GLU A 61 4.148 1.120 -0.144 1.00 0.00 C ATOM 882 O GLU A 61 4.155 1.739 -1.208 1.00 0.00 O ATOM 883 CB GLU A 61 4.837 -1.120 -1.021 1.00 0.00 C ATOM 884 CG GLU A 61 6.295 -0.819 -0.721 1.00 0.00 C ATOM 885 CD GLU A 61 6.847 -1.671 0.405 1.00 0.00 C ATOM 886 OE1 GLU A 61 6.904 -2.908 0.241 1.00 0.00 O ATOM 887 OE2 GLU A 61 7.223 -1.100 1.450 1.00 0.00 O ATOM 0 H GLU A 61 2.182 -0.151 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 61 3.987 -0.732 0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.669 -2.193 -0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.626 -0.856 -2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.888 -0.983 -1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.398 0.234 -0.459 1.00 0.00 H new ATOM 894 N LYS A 62 4.388 1.697 1.029 1.00 0.00 N ATOM 895 CA LYS A 62 4.680 3.122 1.136 1.00 0.00 C ATOM 896 C LYS A 62 6.046 3.443 0.539 1.00 0.00 C ATOM 897 O LYS A 62 7.033 2.761 0.819 1.00 0.00 O ATOM 898 CB LYS A 62 4.634 3.565 2.600 1.00 0.00 C ATOM 899 CG LYS A 62 4.805 5.062 2.788 1.00 0.00 C ATOM 900 CD LYS A 62 4.138 5.543 4.065 1.00 0.00 C ATOM 901 CE LYS A 62 5.030 5.320 5.278 1.00 0.00 C ATOM 902 NZ LYS A 62 4.360 5.732 6.542 1.00 0.00 N ATOM 0 H LYS A 62 4.386 1.199 1.919 1.00 0.00 H new ATOM 0 HA LYS A 62 3.921 3.666 0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.682 3.259 3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.417 3.046 3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.867 5.307 2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.379 5.588 1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.901 6.603 3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.194 5.016 4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.304 4.267 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.955 5.883 5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.000 5.564 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.121 6.743 6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.490 5.177 6.671 1.00 0.00 H new ATOM 916 N LEU A 63 6.098 4.485 -0.284 1.00 0.00 N ATOM 917 CA LEU A 63 7.344 4.897 -0.919 1.00 0.00 C ATOM 918 C LEU A 63 8.003 6.032 -0.140 1.00 0.00 C ATOM 919 O LEU A 63 7.701 7.205 -0.359 1.00 0.00 O ATOM 920 CB LEU A 63 7.084 5.337 -2.361 1.00 0.00 C ATOM 921 CG LEU A 63 6.546 4.260 -3.304 1.00 0.00 C ATOM 922 CD1 LEU A 63 5.026 4.238 -3.276 1.00 0.00 C ATOM 923 CD2 LEU A 63 7.053 4.490 -4.720 1.00 0.00 C ATOM 0 H LEU A 63 5.291 5.060 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 63 8.021 4.042 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.375 6.165 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.015 5.723 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 63 6.909 3.290 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.661 3.466 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.684 4.024 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.642 5.208 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.660 3.714 -5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.720 5.467 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.142 4.454 -4.727 1.00 0.00 H new ATOM 935 N SER A 64 8.905 5.675 0.768 1.00 0.00 N ATOM 936 CA SER A 64 9.605 6.663 1.580 1.00 0.00 C ATOM 937 C SER A 64 10.518 7.527 0.716 1.00 0.00 C ATOM 938 O SER A 64 11.153 7.039 -0.218 1.00 0.00 O ATOM 939 CB SER A 64 10.423 5.970 2.672 1.00 0.00 C ATOM 940 OG SER A 64 10.903 6.906 3.621 1.00 0.00 O ATOM 0 H SER A 64 9.168 4.708 0.960 1.00 0.00 H new ATOM 0 HA SER A 64 8.860 7.307 2.048 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.807 5.223 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.263 5.441 2.221 1.00 0.00 H new ATOM 0 HG SER A 64 11.421 6.438 4.309 1.00 0.00 H new ATOM 946 N GLY A 65 10.579 8.817 1.037 1.00 0.00 N ATOM 947 CA GLY A 65 11.416 9.730 0.281 1.00 0.00 C ATOM 948 C GLY A 65 12.776 9.142 -0.036 1.00 0.00 C ATOM 949 O GLY A 65 13.336 8.365 0.738 1.00 0.00 O ATOM 0 H GLY A 65 10.064 9.245 1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.912 9.994 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.545 10.653 0.847 1.00 0.00 H new ATOM 953 N PRO A 66 13.329 9.512 -1.201 1.00 0.00 N ATOM 954 CA PRO A 66 14.638 9.027 -1.646 1.00 0.00 C ATOM 955 C PRO A 66 15.781 9.594 -0.811 1.00 0.00 C ATOM 956 O PRO A 66 16.801 8.935 -0.609 1.00 0.00 O ATOM 957 CB PRO A 66 14.731 9.528 -3.089 1.00 0.00 C ATOM 958 CG PRO A 66 13.838 10.720 -3.134 1.00 0.00 C ATOM 959 CD PRO A 66 12.718 10.435 -2.173 1.00 0.00 C ATOM 0 HA PRO A 66 14.725 7.945 -1.550 1.00 0.00 H new ATOM 0 HB2 PRO A 66 15.756 9.791 -3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.407 8.764 -3.795 1.00 0.00 H new ATOM 0 HG2 PRO A 66 14.378 11.623 -2.848 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.456 10.883 -4.142 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.360 11.345 -1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 66 11.863 9.982 -2.675 1.00 0.00 H new ATOM 967 N SER A 67 15.604 10.819 -0.328 1.00 0.00 N ATOM 968 CA SER A 67 16.623 11.476 0.483 1.00 0.00 C ATOM 969 C SER A 67 17.111 10.553 1.595 1.00 0.00 C ATOM 970 O SER A 67 16.459 10.410 2.629 1.00 0.00 O ATOM 971 CB SER A 67 16.070 12.770 1.084 1.00 0.00 C ATOM 972 OG SER A 67 17.098 13.727 1.268 1.00 0.00 O ATOM 0 H SER A 67 14.765 11.377 -0.484 1.00 0.00 H new ATOM 0 HA SER A 67 17.468 11.716 -0.163 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.301 13.179 0.429 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.593 12.556 2.040 1.00 0.00 H new ATOM 0 HG SER A 67 16.719 14.545 1.651 1.00 0.00 H new ATOM 978 N SER A 68 18.263 9.928 1.373 1.00 0.00 N ATOM 979 CA SER A 68 18.838 9.014 2.354 1.00 0.00 C ATOM 980 C SER A 68 19.831 9.741 3.256 1.00 0.00 C ATOM 981 O SER A 68 21.033 9.748 2.995 1.00 0.00 O ATOM 982 CB SER A 68 19.531 7.847 1.649 1.00 0.00 C ATOM 983 OG SER A 68 20.500 7.246 2.491 1.00 0.00 O ATOM 0 H SER A 68 18.816 10.038 0.523 1.00 0.00 H new ATOM 0 HA SER A 68 18.028 8.626 2.972 1.00 0.00 H new ATOM 0 HB2 SER A 68 18.790 7.104 1.354 1.00 0.00 H new ATOM 0 HB3 SER A 68 20.008 8.201 0.735 1.00 0.00 H new ATOM 0 HG SER A 68 21.228 7.881 2.657 1.00 0.00 H new ATOM 989 N GLY A 69 19.317 10.352 4.319 1.00 0.00 N ATOM 990 CA GLY A 69 20.171 11.073 5.245 1.00 0.00 C ATOM 991 C GLY A 69 19.614 12.435 5.606 1.00 0.00 C ATOM 992 O GLY A 69 18.461 12.552 6.021 1.00 0.00 O ATOM 0 H GLY A 69 18.325 10.361 4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 69 20.297 10.483 6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 69 21.160 11.194 4.803 1.00 0.00 H new TER 996 GLY A 69