USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 536 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -2.97! K(o=-3!,f=-1.6) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.07 K(o=-2.1,f=-8.2!) USER MOD Single : A 24 ASN : amide:sc= -0.0607 X(o=-0.061,f=-0.061) USER MOD Single : A 25 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 27 MET CE :methyl -165:sc= -3.93! (180deg=-5.01!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.517 K(o=-0.52,f=0) USER MOD Single : A 55 TYR OH : rot -163:sc= -3.42 USER MOD Single : A 56 HIS : no HD1:sc= -4.36! C(o=-4.4!,f=-3.6!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -160:sc= 0 (180deg=-0.526) USER MOD Single : A 70 LYS NZ :NH3+ 151:sc= 0.36 (180deg=-1.85!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.996 K(o=-1,f=0.043) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 48:sc= 0.393 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.823 26.575 0.077 1.00 0.00 N ATOM 2 CA GLY A 1 -30.700 27.269 -0.848 1.00 0.00 C ATOM 3 C GLY A 1 -30.137 28.607 -1.287 1.00 0.00 C ATOM 4 O GLY A 1 -29.962 28.853 -2.480 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.252 25.667 0.347 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.904 26.402 -0.379 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.683 27.158 0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.867 26.643 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.671 27.424 -0.377 1.00 0.00 H new ATOM 8 N SER A 2 -29.855 29.474 -0.320 1.00 0.00 N ATOM 9 CA SER A 2 -29.314 30.796 -0.613 1.00 0.00 C ATOM 10 C SER A 2 -28.904 31.512 0.670 1.00 0.00 C ATOM 11 O SER A 2 -29.467 31.268 1.737 1.00 0.00 O ATOM 12 CB SER A 2 -30.344 31.635 -1.372 1.00 0.00 C ATOM 13 OG SER A 2 -31.381 32.070 -0.511 1.00 0.00 O ATOM 0 H SER A 2 -29.992 29.285 0.673 1.00 0.00 H new ATOM 0 HA SER A 2 -28.429 30.669 -1.236 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.854 32.499 -1.822 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.766 31.048 -2.187 1.00 0.00 H new ATOM 0 HG SER A 2 -32.025 32.605 -1.019 1.00 0.00 H new ATOM 19 N SER A 3 -27.920 32.398 0.557 1.00 0.00 N ATOM 20 CA SER A 3 -27.431 33.148 1.709 1.00 0.00 C ATOM 21 C SER A 3 -26.845 32.210 2.759 1.00 0.00 C ATOM 22 O SER A 3 -27.068 32.384 3.957 1.00 0.00 O ATOM 23 CB SER A 3 -28.561 33.977 2.322 1.00 0.00 C ATOM 24 OG SER A 3 -28.973 35.008 1.441 1.00 0.00 O ATOM 0 H SER A 3 -27.446 32.614 -0.320 1.00 0.00 H new ATOM 0 HA SER A 3 -26.643 33.819 1.367 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.408 33.330 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.228 34.411 3.264 1.00 0.00 H new ATOM 0 HG SER A 3 -29.697 35.522 1.855 1.00 0.00 H new ATOM 30 N GLY A 4 -26.094 31.213 2.301 1.00 0.00 N ATOM 31 CA GLY A 4 -25.487 30.261 3.213 1.00 0.00 C ATOM 32 C GLY A 4 -24.139 30.727 3.725 1.00 0.00 C ATOM 33 O GLY A 4 -23.644 31.780 3.322 1.00 0.00 O ATOM 0 H GLY A 4 -25.895 31.048 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.155 30.095 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.369 29.303 2.707 1.00 0.00 H new ATOM 37 N SER A 5 -23.543 29.943 4.618 1.00 0.00 N ATOM 38 CA SER A 5 -22.247 30.284 5.191 1.00 0.00 C ATOM 39 C SER A 5 -21.354 29.050 5.288 1.00 0.00 C ATOM 40 O SER A 5 -21.837 27.936 5.487 1.00 0.00 O ATOM 41 CB SER A 5 -22.425 30.909 6.576 1.00 0.00 C ATOM 42 OG SER A 5 -22.787 29.929 7.534 1.00 0.00 O ATOM 0 H SER A 5 -23.938 29.067 4.960 1.00 0.00 H new ATOM 0 HA SER A 5 -21.767 31.008 4.533 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.499 31.396 6.881 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.192 31.682 6.534 1.00 0.00 H new ATOM 0 HG SER A 5 -22.893 30.353 8.411 1.00 0.00 H new ATOM 48 N SER A 6 -20.049 29.259 5.146 1.00 0.00 N ATOM 49 CA SER A 6 -19.088 28.164 5.213 1.00 0.00 C ATOM 50 C SER A 6 -18.001 28.459 6.241 1.00 0.00 C ATOM 51 O SER A 6 -17.867 29.587 6.715 1.00 0.00 O ATOM 52 CB SER A 6 -18.457 27.926 3.840 1.00 0.00 C ATOM 53 OG SER A 6 -17.952 26.606 3.733 1.00 0.00 O ATOM 0 H SER A 6 -19.633 30.176 4.984 1.00 0.00 H new ATOM 0 HA SER A 6 -19.620 27.264 5.520 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.199 28.099 3.060 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.651 28.641 3.678 1.00 0.00 H new ATOM 0 HG SER A 6 -17.555 26.478 2.846 1.00 0.00 H new ATOM 59 N GLY A 7 -17.224 27.435 6.583 1.00 0.00 N ATOM 60 CA GLY A 7 -16.158 27.603 7.553 1.00 0.00 C ATOM 61 C GLY A 7 -14.858 26.968 7.101 1.00 0.00 C ATOM 62 O GLY A 7 -14.569 26.912 5.906 1.00 0.00 O ATOM 0 H GLY A 7 -17.314 26.492 6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.997 28.666 7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.463 27.164 8.503 1.00 0.00 H new ATOM 66 N MET A 8 -14.070 26.491 8.059 1.00 0.00 N ATOM 67 CA MET A 8 -12.792 25.858 7.752 1.00 0.00 C ATOM 68 C MET A 8 -12.884 24.344 7.910 1.00 0.00 C ATOM 69 O MET A 8 -13.094 23.837 9.012 1.00 0.00 O ATOM 70 CB MET A 8 -11.693 26.412 8.661 1.00 0.00 C ATOM 71 CG MET A 8 -10.299 25.934 8.289 1.00 0.00 C ATOM 72 SD MET A 8 -9.575 26.886 6.940 1.00 0.00 S ATOM 73 CE MET A 8 -8.493 27.989 7.846 1.00 0.00 C ATOM 0 H MET A 8 -14.293 26.531 9.053 1.00 0.00 H new ATOM 0 HA MET A 8 -12.543 26.083 6.715 1.00 0.00 H new ATOM 0 HB2 MET A 8 -11.717 27.501 8.624 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.905 26.123 9.691 1.00 0.00 H new ATOM 0 HG2 MET A 8 -9.651 26.000 9.163 1.00 0.00 H new ATOM 0 HG3 MET A 8 -10.344 24.883 8.004 1.00 0.00 H new ATOM 0 HE1 MET A 8 -7.973 28.644 7.147 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.083 28.591 8.537 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.764 27.404 8.407 1.00 0.00 H new ATOM 83 N ALA A 9 -12.726 23.627 6.802 1.00 0.00 N ATOM 84 CA ALA A 9 -12.790 22.171 6.819 1.00 0.00 C ATOM 85 C ALA A 9 -11.395 21.559 6.754 1.00 0.00 C ATOM 86 O ALA A 9 -10.451 22.190 6.275 1.00 0.00 O ATOM 87 CB ALA A 9 -13.644 21.667 5.665 1.00 0.00 C ATOM 0 H ALA A 9 -12.553 24.031 5.882 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.249 21.863 7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.683 20.578 5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.653 22.069 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.208 21.993 4.721 1.00 0.00 H new ATOM 93 N LEU A 10 -11.270 20.329 7.239 1.00 0.00 N ATOM 94 CA LEU A 10 -9.988 19.632 7.236 1.00 0.00 C ATOM 95 C LEU A 10 -10.114 18.263 6.574 1.00 0.00 C ATOM 96 O LEU A 10 -10.786 17.371 7.093 1.00 0.00 O ATOM 97 CB LEU A 10 -9.469 19.474 8.666 1.00 0.00 C ATOM 98 CG LEU A 10 -10.494 19.024 9.707 1.00 0.00 C ATOM 99 CD1 LEU A 10 -10.507 17.507 9.822 1.00 0.00 C ATOM 100 CD2 LEU A 10 -10.198 19.661 11.057 1.00 0.00 C ATOM 0 H LEU A 10 -12.040 19.793 7.639 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.279 20.228 6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.651 18.754 8.657 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.050 20.428 8.987 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.482 19.352 9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.242 17.205 10.568 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.768 17.071 8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.520 17.156 10.123 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.938 19.329 11.786 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.203 19.364 11.389 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.241 20.746 10.965 1.00 0.00 H new ATOM 112 N VAL A 11 -9.462 18.104 5.427 1.00 0.00 N ATOM 113 CA VAL A 11 -9.498 16.843 4.696 1.00 0.00 C ATOM 114 C VAL A 11 -9.379 15.655 5.643 1.00 0.00 C ATOM 115 O VAL A 11 -8.433 15.543 6.423 1.00 0.00 O ATOM 116 CB VAL A 11 -8.369 16.768 3.651 1.00 0.00 C ATOM 117 CG1 VAL A 11 -7.046 17.206 4.261 1.00 0.00 C ATOM 118 CG2 VAL A 11 -8.263 15.361 3.083 1.00 0.00 C ATOM 0 H VAL A 11 -8.902 18.833 4.984 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.460 16.801 4.185 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.608 17.449 2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.261 17.146 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.131 18.233 4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.797 16.553 5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.461 15.326 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.047 14.659 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.205 15.089 2.607 1.00 0.00 H new ATOM 128 N PRO A 12 -10.361 14.744 5.576 1.00 0.00 N ATOM 129 CA PRO A 12 -10.388 13.546 6.421 1.00 0.00 C ATOM 130 C PRO A 12 -9.301 12.545 6.043 1.00 0.00 C ATOM 131 O PRO A 12 -8.819 12.535 4.911 1.00 0.00 O ATOM 132 CB PRO A 12 -11.775 12.955 6.153 1.00 0.00 C ATOM 133 CG PRO A 12 -12.142 13.449 4.796 1.00 0.00 C ATOM 134 CD PRO A 12 -11.520 14.812 4.670 1.00 0.00 C ATOM 0 HA PRO A 12 -10.205 13.782 7.469 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.754 11.866 6.185 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.496 13.282 6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.770 12.777 4.022 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.224 13.502 4.679 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.216 15.022 3.644 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.214 15.599 4.964 1.00 0.00 H new ATOM 142 N VAL A 13 -8.919 11.705 7.000 1.00 0.00 N ATOM 143 CA VAL A 13 -7.889 10.699 6.767 1.00 0.00 C ATOM 144 C VAL A 13 -8.487 9.427 6.177 1.00 0.00 C ATOM 145 O VAL A 13 -9.656 9.114 6.405 1.00 0.00 O ATOM 146 CB VAL A 13 -7.144 10.348 8.068 1.00 0.00 C ATOM 147 CG1 VAL A 13 -6.402 11.563 8.604 1.00 0.00 C ATOM 148 CG2 VAL A 13 -8.113 9.804 9.107 1.00 0.00 C ATOM 0 H VAL A 13 -9.307 11.701 7.943 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.182 11.128 6.057 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.410 9.573 7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.882 11.295 9.524 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.678 11.903 7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.114 12.363 8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.569 9.561 10.020 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.872 10.555 9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.593 8.905 8.721 1.00 0.00 H new ATOM 158 N TYR A 14 -7.678 8.696 5.419 1.00 0.00 N ATOM 159 CA TYR A 14 -8.127 7.457 4.794 1.00 0.00 C ATOM 160 C TYR A 14 -7.181 6.307 5.123 1.00 0.00 C ATOM 161 O TYR A 14 -7.617 5.188 5.399 1.00 0.00 O ATOM 162 CB TYR A 14 -8.226 7.633 3.278 1.00 0.00 C ATOM 163 CG TYR A 14 -8.734 8.994 2.857 1.00 0.00 C ATOM 164 CD1 TYR A 14 -7.893 10.100 2.850 1.00 0.00 C ATOM 165 CD2 TYR A 14 -10.055 9.173 2.467 1.00 0.00 C ATOM 166 CE1 TYR A 14 -8.354 11.344 2.467 1.00 0.00 C ATOM 167 CE2 TYR A 14 -10.524 10.414 2.081 1.00 0.00 C ATOM 168 CZ TYR A 14 -9.670 11.497 2.084 1.00 0.00 C ATOM 169 OH TYR A 14 -10.132 12.735 1.701 1.00 0.00 O ATOM 0 H TYR A 14 -6.707 8.940 5.222 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.113 7.217 5.190 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.243 7.469 2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.888 6.867 2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.862 9.985 3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.727 8.328 2.465 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.687 12.193 2.467 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.554 10.535 1.779 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.080 12.670 1.461 1.00 0.00 H new ATOM 179 N CYS A 15 -5.883 6.589 5.093 1.00 0.00 N ATOM 180 CA CYS A 15 -4.873 5.580 5.389 1.00 0.00 C ATOM 181 C CYS A 15 -4.991 5.099 6.832 1.00 0.00 C ATOM 182 O CYS A 15 -5.796 5.617 7.607 1.00 0.00 O ATOM 183 CB CYS A 15 -3.472 6.142 5.139 1.00 0.00 C ATOM 184 SG CYS A 15 -2.213 4.873 4.791 1.00 0.00 S ATOM 0 H CYS A 15 -5.505 7.509 4.866 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.039 4.730 4.727 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.515 6.836 4.299 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.162 6.717 6.012 1.00 0.00 H new ATOM 189 N LEU A 16 -4.182 4.107 7.187 1.00 0.00 N ATOM 190 CA LEU A 16 -4.194 3.555 8.537 1.00 0.00 C ATOM 191 C LEU A 16 -3.398 4.438 9.493 1.00 0.00 C ATOM 192 O LEU A 16 -3.611 4.408 10.706 1.00 0.00 O ATOM 193 CB LEU A 16 -3.619 2.138 8.536 1.00 0.00 C ATOM 194 CG LEU A 16 -3.961 1.276 7.320 1.00 0.00 C ATOM 195 CD1 LEU A 16 -2.903 0.204 7.111 1.00 0.00 C ATOM 196 CD2 LEU A 16 -5.337 0.646 7.483 1.00 0.00 C ATOM 0 H LEU A 16 -3.509 3.668 6.558 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.228 3.520 8.879 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.534 2.208 8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.970 1.624 9.431 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.979 1.916 6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.163 -0.399 6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.934 0.676 6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.852 -0.434 7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.564 0.036 6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.347 0.019 8.375 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.087 1.431 7.583 1.00 0.00 H new ATOM 208 N CYS A 17 -2.482 5.226 8.939 1.00 0.00 N ATOM 209 CA CYS A 17 -1.656 6.120 9.741 1.00 0.00 C ATOM 210 C CYS A 17 -2.396 7.419 10.045 1.00 0.00 C ATOM 211 O CYS A 17 -1.793 8.402 10.475 1.00 0.00 O ATOM 212 CB CYS A 17 -0.345 6.425 9.014 1.00 0.00 C ATOM 213 SG CYS A 17 -0.560 6.969 7.289 1.00 0.00 S ATOM 0 H CYS A 17 -2.293 5.263 7.937 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.434 5.621 10.684 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.191 7.199 9.563 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.281 5.533 9.027 1.00 0.00 H new ATOM 218 N ARG A 18 -3.705 7.414 9.818 1.00 0.00 N ATOM 219 CA ARG A 18 -4.528 8.592 10.067 1.00 0.00 C ATOM 220 C ARG A 18 -4.002 9.796 9.290 1.00 0.00 C ATOM 221 O ARG A 18 -3.789 10.867 9.858 1.00 0.00 O ATOM 222 CB ARG A 18 -4.561 8.911 11.563 1.00 0.00 C ATOM 223 CG ARG A 18 -5.396 7.936 12.375 1.00 0.00 C ATOM 224 CD ARG A 18 -4.785 6.543 12.374 1.00 0.00 C ATOM 225 NE ARG A 18 -5.466 5.646 13.303 1.00 0.00 N ATOM 226 CZ ARG A 18 -5.230 5.624 14.610 1.00 0.00 C ATOM 227 NH1 ARG A 18 -4.335 6.447 15.139 1.00 0.00 N ATOM 228 NH2 ARG A 18 -5.890 4.779 15.391 1.00 0.00 N ATOM 0 H ARG A 18 -4.219 6.608 9.462 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.541 8.376 9.727 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.541 8.912 11.948 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.955 9.918 11.703 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.483 8.296 13.400 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.406 7.892 11.966 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.833 6.127 11.368 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.730 6.610 12.642 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.161 5.001 12.928 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.826 7.099 14.542 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.156 6.428 16.143 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.580 4.145 14.988 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.708 4.763 16.394 1.00 0.00 H new ATOM 242 N GLN A 19 -3.795 9.611 7.991 1.00 0.00 N ATOM 243 CA GLN A 19 -3.293 10.682 7.137 1.00 0.00 C ATOM 244 C GLN A 19 -4.275 10.986 6.011 1.00 0.00 C ATOM 245 O GLN A 19 -4.888 10.090 5.430 1.00 0.00 O ATOM 246 CB GLN A 19 -1.931 10.302 6.554 1.00 0.00 C ATOM 247 CG GLN A 19 -0.819 10.253 7.589 1.00 0.00 C ATOM 248 CD GLN A 19 -0.810 11.469 8.494 1.00 0.00 C ATOM 249 OE1 GLN A 19 -0.276 12.519 8.137 1.00 0.00 O ATOM 250 NE2 GLN A 19 -1.404 11.333 9.674 1.00 0.00 N ATOM 0 H GLN A 19 -3.967 8.730 7.506 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.181 11.578 7.748 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.010 9.328 6.072 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.663 11.020 5.779 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.932 9.354 8.195 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.142 10.176 7.081 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.834 10.444 9.929 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.430 12.118 10.325 1.00 0.00 H new ATOM 259 N PRO A 20 -4.430 12.279 5.693 1.00 0.00 N ATOM 260 CA PRO A 20 -5.336 12.731 4.633 1.00 0.00 C ATOM 261 C PRO A 20 -4.840 12.348 3.243 1.00 0.00 C ATOM 262 O PRO A 20 -5.546 11.686 2.482 1.00 0.00 O ATOM 263 CB PRO A 20 -5.343 14.253 4.798 1.00 0.00 C ATOM 264 CG PRO A 20 -4.042 14.570 5.450 1.00 0.00 C ATOM 265 CD PRO A 20 -3.731 13.401 6.343 1.00 0.00 C ATOM 0 HA PRO A 20 -6.322 12.274 4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -5.436 14.755 3.835 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.183 14.581 5.411 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.258 14.713 4.707 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.108 15.494 6.025 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.658 13.221 6.410 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.091 13.564 7.359 1.00 0.00 H new ATOM 273 N TYR A 21 -3.622 12.768 2.918 1.00 0.00 N ATOM 274 CA TYR A 21 -3.033 12.470 1.619 1.00 0.00 C ATOM 275 C TYR A 21 -1.611 13.015 1.528 1.00 0.00 C ATOM 276 O TYR A 21 -1.356 14.172 1.858 1.00 0.00 O ATOM 277 CB TYR A 21 -3.890 13.061 0.498 1.00 0.00 C ATOM 278 CG TYR A 21 -3.248 12.970 -0.867 1.00 0.00 C ATOM 279 CD1 TYR A 21 -3.050 11.741 -1.484 1.00 0.00 C ATOM 280 CD2 TYR A 21 -2.840 14.115 -1.542 1.00 0.00 C ATOM 281 CE1 TYR A 21 -2.463 11.655 -2.732 1.00 0.00 C ATOM 282 CE2 TYR A 21 -2.254 14.038 -2.790 1.00 0.00 C ATOM 283 CZ TYR A 21 -2.067 12.805 -3.381 1.00 0.00 C ATOM 284 OH TYR A 21 -1.483 12.723 -4.624 1.00 0.00 O ATOM 0 H TYR A 21 -3.024 13.316 3.537 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.996 11.387 1.506 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.849 12.544 0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.097 14.107 0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.360 10.838 -0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.984 15.082 -1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.315 10.691 -3.197 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.944 14.938 -3.301 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.264 13.624 -4.943 1.00 0.00 H new ATOM 294 N ASN A 22 -0.688 12.172 1.076 1.00 0.00 N ATOM 295 CA ASN A 22 0.709 12.568 0.941 1.00 0.00 C ATOM 296 C ASN A 22 1.112 12.646 -0.528 1.00 0.00 C ATOM 297 O ASN A 22 1.608 11.675 -1.100 1.00 0.00 O ATOM 298 CB ASN A 22 1.615 11.579 1.678 1.00 0.00 C ATOM 299 CG ASN A 22 1.250 11.443 3.144 1.00 0.00 C ATOM 300 OD1 ASN A 22 0.212 11.936 3.585 1.00 0.00 O ATOM 301 ND2 ASN A 22 2.105 10.771 3.906 1.00 0.00 N ATOM 0 H ASN A 22 -0.882 11.210 0.797 1.00 0.00 H new ATOM 0 HA ASN A 22 0.825 13.557 1.385 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.549 10.603 1.198 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.651 11.907 1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.913 10.646 4.900 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.954 10.379 3.497 1.00 0.00 H new ATOM 308 N VAL A 23 0.897 13.810 -1.134 1.00 0.00 N ATOM 309 CA VAL A 23 1.239 14.016 -2.536 1.00 0.00 C ATOM 310 C VAL A 23 2.711 13.714 -2.793 1.00 0.00 C ATOM 311 O VAL A 23 3.108 13.423 -3.921 1.00 0.00 O ATOM 312 CB VAL A 23 0.938 15.460 -2.981 1.00 0.00 C ATOM 313 CG1 VAL A 23 1.670 16.455 -2.094 1.00 0.00 C ATOM 314 CG2 VAL A 23 1.315 15.657 -4.441 1.00 0.00 C ATOM 0 H VAL A 23 0.488 14.624 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 23 0.623 13.329 -3.116 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.133 15.638 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.446 17.470 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.346 16.329 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.744 16.281 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.096 16.682 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.379 15.461 -4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.741 14.969 -5.061 1.00 0.00 H new ATOM 324 N ASN A 24 3.517 13.783 -1.738 1.00 0.00 N ATOM 325 CA ASN A 24 4.946 13.516 -1.849 1.00 0.00 C ATOM 326 C ASN A 24 5.211 12.021 -1.993 1.00 0.00 C ATOM 327 O ASN A 24 6.125 11.607 -2.707 1.00 0.00 O ATOM 328 CB ASN A 24 5.684 14.060 -0.624 1.00 0.00 C ATOM 329 CG ASN A 24 5.158 15.413 -0.186 1.00 0.00 C ATOM 330 OD1 ASN A 24 4.467 15.525 0.827 1.00 0.00 O ATOM 331 ND2 ASN A 24 5.483 16.450 -0.949 1.00 0.00 N ATOM 0 H ASN A 24 3.204 14.022 -0.797 1.00 0.00 H new ATOM 0 HA ASN A 24 5.316 14.020 -2.742 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.587 13.352 0.199 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.747 14.142 -0.851 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.158 17.385 -0.704 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.058 16.311 -1.780 1.00 0.00 H new ATOM 338 N HIS A 25 4.405 11.214 -1.311 1.00 0.00 N ATOM 339 CA HIS A 25 4.551 9.764 -1.364 1.00 0.00 C ATOM 340 C HIS A 25 3.519 9.148 -2.304 1.00 0.00 C ATOM 341 O HIS A 25 2.632 9.838 -2.807 1.00 0.00 O ATOM 342 CB HIS A 25 4.405 9.164 0.035 1.00 0.00 C ATOM 343 CG HIS A 25 5.559 9.468 0.940 1.00 0.00 C ATOM 344 ND1 HIS A 25 5.483 9.375 2.314 1.00 0.00 N ATOM 345 CD2 HIS A 25 6.823 9.864 0.661 1.00 0.00 C ATOM 346 CE1 HIS A 25 6.649 9.703 2.841 1.00 0.00 C ATOM 347 NE2 HIS A 25 7.480 10.003 1.859 1.00 0.00 N ATOM 0 H HIS A 25 3.644 11.540 -0.715 1.00 0.00 H new ATOM 0 HA HIS A 25 5.546 9.538 -1.747 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.489 9.541 0.489 1.00 0.00 H new ATOM 0 HB3 HIS A 25 4.297 8.083 -0.052 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.238 10.038 -0.321 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.883 9.723 3.895 1.00 0.00 H new ATOM 0 HE2 HIS A 25 8.452 10.291 1.972 1.00 0.00 H new ATOM 356 N PHE A 26 3.641 7.845 -2.537 1.00 0.00 N ATOM 357 CA PHE A 26 2.720 7.137 -3.418 1.00 0.00 C ATOM 358 C PHE A 26 1.486 6.669 -2.653 1.00 0.00 C ATOM 359 O PHE A 26 1.572 6.300 -1.482 1.00 0.00 O ATOM 360 CB PHE A 26 3.419 5.937 -4.063 1.00 0.00 C ATOM 361 CG PHE A 26 2.482 4.821 -4.424 1.00 0.00 C ATOM 362 CD1 PHE A 26 2.035 3.934 -3.458 1.00 0.00 C ATOM 363 CD2 PHE A 26 2.048 4.658 -5.730 1.00 0.00 C ATOM 364 CE1 PHE A 26 1.172 2.905 -3.786 1.00 0.00 C ATOM 365 CE2 PHE A 26 1.185 3.631 -6.064 1.00 0.00 C ATOM 366 CZ PHE A 26 0.747 2.753 -5.092 1.00 0.00 C ATOM 0 H PHE A 26 4.368 7.259 -2.128 1.00 0.00 H new ATOM 0 HA PHE A 26 2.401 7.827 -4.199 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.939 6.269 -4.962 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.177 5.557 -3.378 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.365 4.048 -2.436 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.388 5.341 -6.495 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.831 2.221 -3.023 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.853 3.515 -7.085 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.074 1.949 -5.352 1.00 0.00 H new ATOM 376 N MET A 27 0.339 6.690 -3.323 1.00 0.00 N ATOM 377 CA MET A 27 -0.914 6.268 -2.707 1.00 0.00 C ATOM 378 C MET A 27 -1.835 5.620 -3.736 1.00 0.00 C ATOM 379 O MET A 27 -1.759 5.922 -4.927 1.00 0.00 O ATOM 380 CB MET A 27 -1.615 7.462 -2.057 1.00 0.00 C ATOM 381 CG MET A 27 -1.209 7.693 -0.611 1.00 0.00 C ATOM 382 SD MET A 27 -2.357 8.768 0.270 1.00 0.00 S ATOM 383 CE MET A 27 -3.402 7.558 1.078 1.00 0.00 C ATOM 0 H MET A 27 0.251 6.995 -4.292 1.00 0.00 H new ATOM 0 HA MET A 27 -0.682 5.530 -1.939 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.396 8.360 -2.635 1.00 0.00 H new ATOM 0 HB3 MET A 27 -2.693 7.309 -2.103 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.149 6.734 -0.097 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.212 8.133 -0.584 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.309 8.043 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.668 6.775 0.368 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.866 7.118 1.919 1.00 0.00 H new ATOM 393 N ILE A 28 -2.704 4.730 -3.268 1.00 0.00 N ATOM 394 CA ILE A 28 -3.639 4.041 -4.149 1.00 0.00 C ATOM 395 C ILE A 28 -5.075 4.203 -3.659 1.00 0.00 C ATOM 396 O ILE A 28 -5.328 4.873 -2.659 1.00 0.00 O ATOM 397 CB ILE A 28 -3.311 2.540 -4.256 1.00 0.00 C ATOM 398 CG1 ILE A 28 -2.385 2.116 -3.114 1.00 0.00 C ATOM 399 CG2 ILE A 28 -2.676 2.232 -5.603 1.00 0.00 C ATOM 400 CD1 ILE A 28 -3.065 2.087 -1.763 1.00 0.00 C ATOM 0 H ILE A 28 -2.780 4.469 -2.285 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.539 4.497 -5.134 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.239 1.973 -4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.984 1.126 -3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.538 2.801 -3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.450 1.167 -5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.367 2.502 -6.401 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.755 2.805 -5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.349 1.778 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.442 3.081 -1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.895 1.381 -1.788 1.00 0.00 H new ATOM 412 N GLU A 29 -6.010 3.582 -4.372 1.00 0.00 N ATOM 413 CA GLU A 29 -7.421 3.657 -4.009 1.00 0.00 C ATOM 414 C GLU A 29 -8.073 2.279 -4.073 1.00 0.00 C ATOM 415 O GLU A 29 -8.004 1.594 -5.095 1.00 0.00 O ATOM 416 CB GLU A 29 -8.158 4.626 -4.935 1.00 0.00 C ATOM 417 CG GLU A 29 -9.588 4.908 -4.507 1.00 0.00 C ATOM 418 CD GLU A 29 -10.477 5.306 -5.669 1.00 0.00 C ATOM 419 OE1 GLU A 29 -9.942 5.806 -6.680 1.00 0.00 O ATOM 420 OE2 GLU A 29 -11.708 5.118 -5.567 1.00 0.00 O ATOM 0 H GLU A 29 -5.817 3.022 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.487 4.024 -2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.608 5.566 -4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.164 4.216 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.001 4.021 -4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.590 5.705 -3.763 1.00 0.00 H new ATOM 427 N CYS A 30 -8.705 1.878 -2.976 1.00 0.00 N ATOM 428 CA CYS A 30 -9.368 0.581 -2.905 1.00 0.00 C ATOM 429 C CYS A 30 -10.671 0.594 -3.700 1.00 0.00 C ATOM 430 O CYS A 30 -11.563 1.400 -3.438 1.00 0.00 O ATOM 431 CB CYS A 30 -9.651 0.208 -1.449 1.00 0.00 C ATOM 432 SG CYS A 30 -10.667 -1.291 -1.249 1.00 0.00 S ATOM 0 H CYS A 30 -8.772 2.433 -2.123 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.703 -0.164 -3.341 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.703 0.063 -0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -10.155 1.043 -0.963 1.00 0.00 H new ATOM 437 N GLY A 31 -10.773 -0.307 -4.673 1.00 0.00 N ATOM 438 CA GLY A 31 -11.969 -0.383 -5.491 1.00 0.00 C ATOM 439 C GLY A 31 -13.120 -1.060 -4.774 1.00 0.00 C ATOM 440 O GLY A 31 -14.050 -1.558 -5.409 1.00 0.00 O ATOM 0 H GLY A 31 -10.049 -0.985 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.269 0.623 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.745 -0.929 -6.407 1.00 0.00 H new ATOM 444 N LEU A 32 -13.057 -1.082 -3.447 1.00 0.00 N ATOM 445 CA LEU A 32 -14.102 -1.705 -2.642 1.00 0.00 C ATOM 446 C LEU A 32 -14.592 -0.753 -1.555 1.00 0.00 C ATOM 447 O LEU A 32 -15.764 -0.777 -1.176 1.00 0.00 O ATOM 448 CB LEU A 32 -13.583 -2.997 -2.008 1.00 0.00 C ATOM 449 CG LEU A 32 -12.929 -3.997 -2.963 1.00 0.00 C ATOM 450 CD1 LEU A 32 -12.326 -5.158 -2.188 1.00 0.00 C ATOM 451 CD2 LEU A 32 -13.941 -4.501 -3.981 1.00 0.00 C ATOM 0 H LEU A 32 -12.294 -0.676 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.940 -1.941 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.859 -2.734 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.415 -3.493 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.127 -3.489 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.865 -5.859 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.571 -4.782 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.109 -5.666 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.459 -5.211 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.764 -4.993 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.326 -3.660 -4.558 1.00 0.00 H new ATOM 463 N CYS A 33 -13.689 0.085 -1.059 1.00 0.00 N ATOM 464 CA CYS A 33 -14.029 1.047 -0.017 1.00 0.00 C ATOM 465 C CYS A 33 -13.868 2.477 -0.523 1.00 0.00 C ATOM 466 O CYS A 33 -14.323 3.426 0.114 1.00 0.00 O ATOM 467 CB CYS A 33 -13.148 0.828 1.215 1.00 0.00 C ATOM 468 SG CYS A 33 -13.152 -0.884 1.837 1.00 0.00 S ATOM 0 H CYS A 33 -12.715 0.118 -1.362 1.00 0.00 H new ATOM 0 HA CYS A 33 -15.072 0.893 0.258 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.124 1.112 0.972 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -13.483 1.493 2.011 1.00 0.00 H new ATOM 473 N GLN A 34 -13.217 2.622 -1.673 1.00 0.00 N ATOM 474 CA GLN A 34 -12.996 3.936 -2.265 1.00 0.00 C ATOM 475 C GLN A 34 -12.129 4.803 -1.358 1.00 0.00 C ATOM 476 O GLN A 34 -12.224 6.030 -1.378 1.00 0.00 O ATOM 477 CB GLN A 34 -14.333 4.632 -2.528 1.00 0.00 C ATOM 478 CG GLN A 34 -15.061 4.107 -3.755 1.00 0.00 C ATOM 479 CD GLN A 34 -16.005 5.130 -4.356 1.00 0.00 C ATOM 480 OE1 GLN A 34 -16.774 5.776 -3.643 1.00 0.00 O ATOM 481 NE2 GLN A 34 -15.952 5.282 -5.674 1.00 0.00 N ATOM 0 H GLN A 34 -12.834 1.846 -2.213 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.474 3.796 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.975 4.510 -1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.159 5.701 -2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.330 3.808 -4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.624 3.214 -3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.299 4.725 -6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.564 5.955 -6.135 1.00 0.00 H new ATOM 490 N ASP A 35 -11.283 4.156 -0.563 1.00 0.00 N ATOM 491 CA ASP A 35 -10.397 4.867 0.352 1.00 0.00 C ATOM 492 C ASP A 35 -9.016 5.056 -0.267 1.00 0.00 C ATOM 493 O ASP A 35 -8.801 4.743 -1.438 1.00 0.00 O ATOM 494 CB ASP A 35 -10.279 4.108 1.674 1.00 0.00 C ATOM 495 CG ASP A 35 -11.467 4.344 2.586 1.00 0.00 C ATOM 496 OD1 ASP A 35 -12.461 3.596 2.471 1.00 0.00 O ATOM 497 OD2 ASP A 35 -11.403 5.276 3.414 1.00 0.00 O ATOM 0 H ASP A 35 -11.192 3.140 -0.534 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.826 5.850 0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.188 3.041 1.470 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.366 4.414 2.185 1.00 0.00 H new ATOM 502 N TRP A 36 -8.084 5.571 0.527 1.00 0.00 N ATOM 503 CA TRP A 36 -6.723 5.803 0.057 1.00 0.00 C ATOM 504 C TRP A 36 -5.703 5.362 1.101 1.00 0.00 C ATOM 505 O TRP A 36 -5.873 5.616 2.294 1.00 0.00 O ATOM 506 CB TRP A 36 -6.522 7.282 -0.277 1.00 0.00 C ATOM 507 CG TRP A 36 -7.206 7.704 -1.542 1.00 0.00 C ATOM 508 CD1 TRP A 36 -8.501 8.116 -1.675 1.00 0.00 C ATOM 509 CD2 TRP A 36 -6.631 7.755 -2.852 1.00 0.00 C ATOM 510 NE1 TRP A 36 -8.766 8.418 -2.988 1.00 0.00 N ATOM 511 CE2 TRP A 36 -7.635 8.206 -3.731 1.00 0.00 C ATOM 512 CE3 TRP A 36 -5.365 7.464 -3.368 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -7.410 8.372 -5.095 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -5.144 7.629 -4.722 1.00 0.00 C ATOM 515 CH2 TRP A 36 -6.161 8.080 -5.573 1.00 0.00 C ATOM 0 H TRP A 36 -8.246 5.836 1.499 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.571 5.210 -0.845 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.895 7.888 0.549 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.455 7.486 -0.364 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.212 8.193 -0.866 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -9.660 8.747 -3.351 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.574 7.116 -2.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -8.193 8.719 -5.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.170 7.406 -5.131 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.956 8.200 -6.627 1.00 0.00 H new ATOM 526 N PHE A 37 -4.645 4.700 0.646 1.00 0.00 N ATOM 527 CA PHE A 37 -3.598 4.222 1.542 1.00 0.00 C ATOM 528 C PHE A 37 -2.218 4.436 0.928 1.00 0.00 C ATOM 529 O PHE A 37 -2.095 4.772 -0.250 1.00 0.00 O ATOM 530 CB PHE A 37 -3.805 2.739 1.857 1.00 0.00 C ATOM 531 CG PHE A 37 -5.147 2.435 2.459 1.00 0.00 C ATOM 532 CD1 PHE A 37 -6.258 2.255 1.652 1.00 0.00 C ATOM 533 CD2 PHE A 37 -5.297 2.331 3.833 1.00 0.00 C ATOM 534 CE1 PHE A 37 -7.495 1.975 2.203 1.00 0.00 C ATOM 535 CE2 PHE A 37 -6.531 2.051 4.389 1.00 0.00 C ATOM 536 CZ PHE A 37 -7.631 1.874 3.573 1.00 0.00 C ATOM 0 H PHE A 37 -4.489 4.482 -0.338 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.657 4.794 2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.688 2.161 0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.025 2.409 2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.157 2.334 0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.441 2.470 4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.353 1.836 1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.635 1.971 5.461 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.596 1.657 4.006 1.00 0.00 H new ATOM 546 N HIS A 38 -1.181 4.239 1.736 1.00 0.00 N ATOM 547 CA HIS A 38 0.192 4.410 1.274 1.00 0.00 C ATOM 548 C HIS A 38 0.799 3.071 0.867 1.00 0.00 C ATOM 549 O HIS A 38 0.536 2.043 1.491 1.00 0.00 O ATOM 550 CB HIS A 38 1.043 5.058 2.366 1.00 0.00 C ATOM 551 CG HIS A 38 0.660 6.475 2.662 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.172 6.883 3.886 1.00 0.00 N ATOM 553 CD2 HIS A 38 0.696 7.583 1.886 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.077 8.180 3.849 1.00 0.00 C ATOM 555 NE2 HIS A 38 0.234 8.629 2.646 1.00 0.00 N ATOM 0 H HIS A 38 -1.265 3.961 2.714 1.00 0.00 H new ATOM 0 HA HIS A 38 0.177 5.062 0.401 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.958 4.469 3.279 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.090 5.029 2.064 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.027 7.635 0.859 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.468 8.772 4.663 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.145 9.596 2.333 1.00 0.00 H new ATOM 563 N GLY A 39 1.612 3.090 -0.185 1.00 0.00 N ATOM 564 CA GLY A 39 2.243 1.871 -0.657 1.00 0.00 C ATOM 565 C GLY A 39 3.120 1.226 0.397 1.00 0.00 C ATOM 566 O GLY A 39 3.308 0.009 0.398 1.00 0.00 O ATOM 0 H GLY A 39 1.845 3.927 -0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.474 1.164 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.844 2.095 -1.538 1.00 0.00 H new ATOM 570 N SER A 40 3.660 2.042 1.296 1.00 0.00 N ATOM 571 CA SER A 40 4.527 1.544 2.358 1.00 0.00 C ATOM 572 C SER A 40 3.704 1.007 3.524 1.00 0.00 C ATOM 573 O SER A 40 4.123 0.083 4.222 1.00 0.00 O ATOM 574 CB SER A 40 5.459 2.655 2.846 1.00 0.00 C ATOM 575 OG SER A 40 6.642 2.707 2.066 1.00 0.00 O ATOM 0 H SER A 40 3.513 3.051 1.311 1.00 0.00 H new ATOM 0 HA SER A 40 5.126 0.728 1.953 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.944 3.614 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.716 2.485 3.892 1.00 0.00 H new ATOM 0 HG SER A 40 7.220 3.426 2.396 1.00 0.00 H new ATOM 581 N CYS A 41 2.529 1.592 3.730 1.00 0.00 N ATOM 582 CA CYS A 41 1.645 1.174 4.812 1.00 0.00 C ATOM 583 C CYS A 41 0.880 -0.091 4.431 1.00 0.00 C ATOM 584 O CYS A 41 0.529 -0.899 5.291 1.00 0.00 O ATOM 585 CB CYS A 41 0.661 2.294 5.156 1.00 0.00 C ATOM 586 SG CYS A 41 1.421 3.717 6.003 1.00 0.00 S ATOM 0 H CYS A 41 2.167 2.357 3.162 1.00 0.00 H new ATOM 0 HA CYS A 41 2.259 0.957 5.686 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.187 2.642 4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -0.129 1.888 5.788 1.00 0.00 H new ATOM 591 N VAL A 42 0.626 -0.255 3.137 1.00 0.00 N ATOM 592 CA VAL A 42 -0.095 -1.421 2.642 1.00 0.00 C ATOM 593 C VAL A 42 0.860 -2.440 2.031 1.00 0.00 C ATOM 594 O VAL A 42 0.718 -3.644 2.241 1.00 0.00 O ATOM 595 CB VAL A 42 -1.148 -1.025 1.589 1.00 0.00 C ATOM 596 CG1 VAL A 42 -1.997 0.132 2.092 1.00 0.00 C ATOM 597 CG2 VAL A 42 -0.475 -0.669 0.272 1.00 0.00 C ATOM 0 H VAL A 42 0.909 0.405 2.413 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.599 -1.868 3.499 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.804 -1.878 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.735 0.398 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.508 -0.163 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.358 0.992 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.233 -0.392 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.205 0.169 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.086 -1.529 -0.094 1.00 0.00 H new ATOM 607 N GLY A 43 1.836 -1.948 1.273 1.00 0.00 N ATOM 608 CA GLY A 43 2.801 -2.829 0.642 1.00 0.00 C ATOM 609 C GLY A 43 2.693 -2.821 -0.869 1.00 0.00 C ATOM 610 O GLY A 43 2.845 -3.859 -1.514 1.00 0.00 O ATOM 0 H GLY A 43 1.975 -0.955 1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.807 -2.528 0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.654 -3.845 1.008 1.00 0.00 H new ATOM 614 N ILE A 44 2.429 -1.649 -1.436 1.00 0.00 N ATOM 615 CA ILE A 44 2.300 -1.511 -2.881 1.00 0.00 C ATOM 616 C ILE A 44 3.288 -0.485 -3.426 1.00 0.00 C ATOM 617 O ILE A 44 3.642 0.474 -2.742 1.00 0.00 O ATOM 618 CB ILE A 44 0.872 -1.096 -3.282 1.00 0.00 C ATOM 619 CG1 ILE A 44 -0.111 -2.234 -3.003 1.00 0.00 C ATOM 620 CG2 ILE A 44 0.828 -0.699 -4.750 1.00 0.00 C ATOM 621 CD1 ILE A 44 -1.537 -1.910 -3.389 1.00 0.00 C ATOM 0 H ILE A 44 2.300 -0.781 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 44 2.520 -2.488 -3.312 1.00 0.00 H new ATOM 0 HB ILE A 44 0.579 -0.233 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.211 -3.122 -3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.078 -2.480 -1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.188 -0.408 -5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.502 0.140 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.138 -1.544 -5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.178 -2.762 -3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.878 -1.041 -2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.585 -1.693 -4.456 1.00 0.00 H new ATOM 633 N GLU A 45 3.727 -0.694 -4.664 1.00 0.00 N ATOM 634 CA GLU A 45 4.673 0.214 -5.301 1.00 0.00 C ATOM 635 C GLU A 45 4.039 0.905 -6.504 1.00 0.00 C ATOM 636 O GLU A 45 3.159 0.348 -7.160 1.00 0.00 O ATOM 637 CB GLU A 45 5.928 -0.545 -5.738 1.00 0.00 C ATOM 638 CG GLU A 45 6.810 -0.981 -4.581 1.00 0.00 C ATOM 639 CD GLU A 45 7.576 -2.255 -4.878 1.00 0.00 C ATOM 640 OE1 GLU A 45 8.210 -2.330 -5.951 1.00 0.00 O ATOM 641 OE2 GLU A 45 7.542 -3.177 -4.037 1.00 0.00 O ATOM 0 H GLU A 45 3.443 -1.483 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 45 4.953 0.975 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.630 -1.425 -6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.510 0.087 -6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.515 -0.184 -4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.193 -1.131 -3.695 1.00 0.00 H new ATOM 648 N GLU A 46 4.491 2.123 -6.787 1.00 0.00 N ATOM 649 CA GLU A 46 3.966 2.891 -7.910 1.00 0.00 C ATOM 650 C GLU A 46 4.203 2.159 -9.227 1.00 0.00 C ATOM 651 O GLU A 46 3.374 2.209 -10.135 1.00 0.00 O ATOM 652 CB GLU A 46 4.616 4.275 -7.958 1.00 0.00 C ATOM 653 CG GLU A 46 4.044 5.179 -9.038 1.00 0.00 C ATOM 654 CD GLU A 46 4.914 6.392 -9.304 1.00 0.00 C ATOM 655 OE1 GLU A 46 5.078 7.217 -8.381 1.00 0.00 O ATOM 656 OE2 GLU A 46 5.430 6.516 -10.434 1.00 0.00 O ATOM 0 H GLU A 46 5.219 2.599 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 46 2.892 3.007 -7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.494 4.758 -6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.687 4.159 -8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.929 4.609 -9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.048 5.509 -8.741 1.00 0.00 H new ATOM 663 N GLU A 47 5.342 1.480 -9.324 1.00 0.00 N ATOM 664 CA GLU A 47 5.689 0.739 -10.530 1.00 0.00 C ATOM 665 C GLU A 47 4.677 -0.371 -10.798 1.00 0.00 C ATOM 666 O GLU A 47 4.404 -0.713 -11.947 1.00 0.00 O ATOM 667 CB GLU A 47 7.093 0.144 -10.404 1.00 0.00 C ATOM 668 CG GLU A 47 7.245 -0.815 -9.235 1.00 0.00 C ATOM 669 CD GLU A 47 8.278 -1.894 -9.496 1.00 0.00 C ATOM 670 OE1 GLU A 47 9.285 -1.599 -10.173 1.00 0.00 O ATOM 671 OE2 GLU A 47 8.079 -3.033 -9.023 1.00 0.00 O ATOM 0 H GLU A 47 6.040 1.428 -8.582 1.00 0.00 H new ATOM 0 HA GLU A 47 5.670 1.434 -11.369 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.341 -0.380 -11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.813 0.955 -10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.528 -0.254 -8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.283 -1.282 -9.025 1.00 0.00 H new ATOM 678 N ASN A 48 4.124 -0.930 -9.726 1.00 0.00 N ATOM 679 CA ASN A 48 3.142 -2.003 -9.844 1.00 0.00 C ATOM 680 C ASN A 48 1.726 -1.439 -9.908 1.00 0.00 C ATOM 681 O ASN A 48 0.841 -2.027 -10.529 1.00 0.00 O ATOM 682 CB ASN A 48 3.266 -2.967 -8.663 1.00 0.00 C ATOM 683 CG ASN A 48 4.420 -3.937 -8.827 1.00 0.00 C ATOM 684 OD1 ASN A 48 4.395 -4.808 -9.697 1.00 0.00 O ATOM 685 ND2 ASN A 48 5.441 -3.790 -7.990 1.00 0.00 N ATOM 0 H ASN A 48 4.339 -0.658 -8.767 1.00 0.00 H new ATOM 0 HA ASN A 48 3.341 -2.544 -10.769 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.402 -2.396 -7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.337 -3.527 -8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.246 -4.413 -8.053 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.420 -3.054 -7.284 1.00 0.00 H new ATOM 692 N ALA A 49 1.520 -0.296 -9.262 1.00 0.00 N ATOM 693 CA ALA A 49 0.213 0.349 -9.248 1.00 0.00 C ATOM 694 C ALA A 49 -0.342 0.496 -10.661 1.00 0.00 C ATOM 695 O ALA A 49 -1.509 0.200 -10.914 1.00 0.00 O ATOM 696 CB ALA A 49 0.302 1.708 -8.569 1.00 0.00 C ATOM 0 H ALA A 49 2.242 0.202 -8.741 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.471 -0.283 -8.682 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.681 2.178 -8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.646 1.580 -7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.005 2.340 -9.111 1.00 0.00 H new ATOM 702 N VAL A 50 0.503 0.957 -11.578 1.00 0.00 N ATOM 703 CA VAL A 50 0.097 1.143 -12.966 1.00 0.00 C ATOM 704 C VAL A 50 -0.524 -0.129 -13.533 1.00 0.00 C ATOM 705 O VAL A 50 -1.288 -0.082 -14.497 1.00 0.00 O ATOM 706 CB VAL A 50 1.289 1.557 -13.849 1.00 0.00 C ATOM 707 CG1 VAL A 50 2.320 0.440 -13.912 1.00 0.00 C ATOM 708 CG2 VAL A 50 0.813 1.934 -15.244 1.00 0.00 C ATOM 0 H VAL A 50 1.472 1.208 -11.385 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.646 1.941 -12.974 1.00 0.00 H new ATOM 0 HB VAL A 50 1.763 2.432 -13.403 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.155 0.750 -14.540 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.683 0.223 -12.907 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.862 -0.455 -14.334 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.668 2.224 -15.854 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.314 1.080 -15.701 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.115 2.769 -15.177 1.00 0.00 H new ATOM 718 N ASP A 51 -0.191 -1.263 -12.927 1.00 0.00 N ATOM 719 CA ASP A 51 -0.717 -2.549 -13.370 1.00 0.00 C ATOM 720 C ASP A 51 -1.935 -2.951 -12.545 1.00 0.00 C ATOM 721 O ASP A 51 -2.694 -3.840 -12.933 1.00 0.00 O ATOM 722 CB ASP A 51 0.362 -3.628 -13.268 1.00 0.00 C ATOM 723 CG ASP A 51 1.255 -3.672 -14.492 1.00 0.00 C ATOM 724 OD1 ASP A 51 2.073 -2.743 -14.664 1.00 0.00 O ATOM 725 OD2 ASP A 51 1.137 -4.635 -15.279 1.00 0.00 O ATOM 0 H ASP A 51 0.441 -1.318 -12.128 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.023 -2.449 -14.411 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.972 -3.445 -12.383 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.112 -4.600 -13.133 1.00 0.00 H new ATOM 730 N ILE A 52 -2.116 -2.291 -11.406 1.00 0.00 N ATOM 731 CA ILE A 52 -3.242 -2.580 -10.527 1.00 0.00 C ATOM 732 C ILE A 52 -4.497 -1.843 -10.981 1.00 0.00 C ATOM 733 O ILE A 52 -4.649 -0.646 -10.738 1.00 0.00 O ATOM 734 CB ILE A 52 -2.932 -2.192 -9.069 1.00 0.00 C ATOM 735 CG1 ILE A 52 -1.740 -2.997 -8.547 1.00 0.00 C ATOM 736 CG2 ILE A 52 -4.154 -2.415 -8.190 1.00 0.00 C ATOM 737 CD1 ILE A 52 -1.240 -2.529 -7.198 1.00 0.00 C ATOM 0 H ILE A 52 -1.497 -1.553 -11.070 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.415 -3.655 -10.580 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.674 -1.133 -9.037 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.024 -4.047 -8.476 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.926 -2.935 -9.269 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.919 -2.136 -7.163 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.980 -1.802 -8.552 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.440 -3.466 -8.224 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.395 -3.144 -6.890 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.925 -1.488 -7.268 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.040 -2.617 -6.463 1.00 0.00 H new ATOM 749 N ASP A 53 -5.395 -2.567 -11.641 1.00 0.00 N ATOM 750 CA ASP A 53 -6.640 -1.983 -12.127 1.00 0.00 C ATOM 751 C ASP A 53 -7.571 -1.645 -10.967 1.00 0.00 C ATOM 752 O ASP A 53 -8.185 -0.578 -10.943 1.00 0.00 O ATOM 753 CB ASP A 53 -7.336 -2.944 -13.093 1.00 0.00 C ATOM 754 CG ASP A 53 -8.096 -2.217 -14.185 1.00 0.00 C ATOM 755 OD1 ASP A 53 -9.224 -1.753 -13.915 1.00 0.00 O ATOM 756 OD2 ASP A 53 -7.563 -2.112 -15.309 1.00 0.00 O ATOM 0 H ASP A 53 -5.284 -3.559 -11.852 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.398 -1.061 -12.655 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.593 -3.600 -13.546 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.025 -3.579 -12.536 1.00 0.00 H new ATOM 761 N ILE A 54 -7.671 -2.560 -10.010 1.00 0.00 N ATOM 762 CA ILE A 54 -8.527 -2.359 -8.847 1.00 0.00 C ATOM 763 C ILE A 54 -7.809 -2.752 -7.561 1.00 0.00 C ATOM 764 O ILE A 54 -7.843 -3.911 -7.148 1.00 0.00 O ATOM 765 CB ILE A 54 -9.832 -3.169 -8.962 1.00 0.00 C ATOM 766 CG1 ILE A 54 -10.536 -2.858 -10.285 1.00 0.00 C ATOM 767 CG2 ILE A 54 -10.748 -2.868 -7.785 1.00 0.00 C ATOM 768 CD1 ILE A 54 -11.849 -3.590 -10.456 1.00 0.00 C ATOM 0 H ILE A 54 -7.170 -3.448 -10.016 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.770 -1.297 -8.814 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.586 -4.231 -8.944 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.716 -1.785 -10.348 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.873 -3.119 -11.110 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.666 -3.448 -7.881 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.245 -3.135 -6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.990 -1.805 -7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.293 -3.322 -11.415 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.673 -4.665 -10.425 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.529 -3.311 -9.651 1.00 0.00 H new ATOM 780 N TYR A 55 -7.161 -1.779 -6.930 1.00 0.00 N ATOM 781 CA TYR A 55 -6.434 -2.023 -5.690 1.00 0.00 C ATOM 782 C TYR A 55 -7.385 -2.454 -4.577 1.00 0.00 C ATOM 783 O TYR A 55 -8.523 -1.991 -4.503 1.00 0.00 O ATOM 784 CB TYR A 55 -5.671 -0.767 -5.266 1.00 0.00 C ATOM 785 CG TYR A 55 -5.262 -0.770 -3.811 1.00 0.00 C ATOM 786 CD1 TYR A 55 -4.521 -1.818 -3.279 1.00 0.00 C ATOM 787 CD2 TYR A 55 -5.615 0.277 -2.968 1.00 0.00 C ATOM 788 CE1 TYR A 55 -4.145 -1.824 -1.950 1.00 0.00 C ATOM 789 CE2 TYR A 55 -5.243 0.279 -1.637 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.508 -0.774 -1.133 1.00 0.00 C ATOM 791 OH TYR A 55 -4.135 -0.776 0.192 1.00 0.00 O ATOM 0 H TYR A 55 -7.124 -0.814 -7.257 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.723 -2.829 -5.868 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.780 -0.667 -5.885 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.292 0.108 -5.458 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.234 -2.642 -3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.190 1.103 -3.360 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.570 -2.647 -1.553 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.526 1.100 -0.995 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.680 -0.128 0.686 1.00 0.00 H new ATOM 801 N HIS A 56 -6.908 -3.344 -3.713 1.00 0.00 N ATOM 802 CA HIS A 56 -7.714 -3.838 -2.602 1.00 0.00 C ATOM 803 C HIS A 56 -7.029 -3.557 -1.267 1.00 0.00 C ATOM 804 O HIS A 56 -6.005 -4.160 -0.944 1.00 0.00 O ATOM 805 CB HIS A 56 -7.965 -5.338 -2.754 1.00 0.00 C ATOM 806 CG HIS A 56 -9.133 -5.664 -3.634 1.00 0.00 C ATOM 807 ND1 HIS A 56 -9.774 -6.884 -3.612 1.00 0.00 N ATOM 808 CD2 HIS A 56 -9.775 -4.920 -4.564 1.00 0.00 C ATOM 809 CE1 HIS A 56 -10.760 -6.877 -4.491 1.00 0.00 C ATOM 810 NE2 HIS A 56 -10.782 -5.696 -5.083 1.00 0.00 N ATOM 0 H HIS A 56 -5.968 -3.738 -3.760 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.670 -3.314 -2.617 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -7.070 -5.808 -3.163 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.131 -5.772 -1.768 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.539 -3.904 -4.846 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -11.434 -7.697 -4.692 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -11.440 -5.408 -5.807 1.00 0.00 H new ATOM 819 N CYS A 57 -7.601 -2.638 -0.496 1.00 0.00 N ATOM 820 CA CYS A 57 -7.046 -2.276 0.802 1.00 0.00 C ATOM 821 C CYS A 57 -6.694 -3.522 1.610 1.00 0.00 C ATOM 822 O CYS A 57 -7.225 -4.610 1.383 1.00 0.00 O ATOM 823 CB CYS A 57 -8.040 -1.413 1.582 1.00 0.00 C ATOM 824 SG CYS A 57 -9.439 -2.343 2.287 1.00 0.00 S ATOM 0 H CYS A 57 -8.449 -2.130 -0.748 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.133 -1.705 0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.510 -0.907 2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.429 -0.638 0.921 1.00 0.00 H new ATOM 829 N PRO A 58 -5.778 -3.362 2.576 1.00 0.00 N ATOM 830 CA PRO A 58 -5.335 -4.462 3.438 1.00 0.00 C ATOM 831 C PRO A 58 -6.422 -4.912 4.408 1.00 0.00 C ATOM 832 O PRO A 58 -6.164 -5.688 5.328 1.00 0.00 O ATOM 833 CB PRO A 58 -4.153 -3.861 4.201 1.00 0.00 C ATOM 834 CG PRO A 58 -4.408 -2.393 4.201 1.00 0.00 C ATOM 835 CD PRO A 58 -5.104 -2.094 2.902 1.00 0.00 C ATOM 0 HA PRO A 58 -5.080 -5.353 2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -4.097 -4.253 5.217 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.207 -4.098 3.715 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -5.027 -2.104 5.051 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.475 -1.835 4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.816 -1.276 3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.397 -1.803 2.125 1.00 0.00 H new ATOM 843 N ASP A 59 -7.638 -4.420 4.196 1.00 0.00 N ATOM 844 CA ASP A 59 -8.765 -4.773 5.052 1.00 0.00 C ATOM 845 C ASP A 59 -9.761 -5.654 4.303 1.00 0.00 C ATOM 846 O ASP A 59 -10.441 -6.487 4.901 1.00 0.00 O ATOM 847 CB ASP A 59 -9.463 -3.511 5.559 1.00 0.00 C ATOM 848 CG ASP A 59 -10.954 -3.710 5.751 1.00 0.00 C ATOM 849 OD1 ASP A 59 -11.353 -4.199 6.828 1.00 0.00 O ATOM 850 OD2 ASP A 59 -11.721 -3.378 4.823 1.00 0.00 O ATOM 0 H ASP A 59 -7.868 -3.776 3.439 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.380 -5.333 5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.015 -3.207 6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.296 -2.698 4.852 1.00 0.00 H new ATOM 855 N CYS A 60 -9.841 -5.463 2.990 1.00 0.00 N ATOM 856 CA CYS A 60 -10.754 -6.238 2.159 1.00 0.00 C ATOM 857 C CYS A 60 -10.077 -7.503 1.640 1.00 0.00 C ATOM 858 O CYS A 60 -10.726 -8.529 1.440 1.00 0.00 O ATOM 859 CB CYS A 60 -11.249 -5.392 0.983 1.00 0.00 C ATOM 860 SG CYS A 60 -12.144 -3.884 1.477 1.00 0.00 S ATOM 0 H CYS A 60 -9.284 -4.778 2.479 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.606 -6.529 2.773 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.395 -5.110 0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -11.903 -6.002 0.360 1.00 0.00 H new ATOM 865 N GLU A 61 -8.767 -7.421 1.425 1.00 0.00 N ATOM 866 CA GLU A 61 -8.003 -8.559 0.930 1.00 0.00 C ATOM 867 C GLU A 61 -8.195 -9.777 1.829 1.00 0.00 C ATOM 868 O GLU A 61 -8.018 -10.915 1.397 1.00 0.00 O ATOM 869 CB GLU A 61 -6.517 -8.205 0.843 1.00 0.00 C ATOM 870 CG GLU A 61 -5.614 -9.411 0.649 1.00 0.00 C ATOM 871 CD GLU A 61 -4.147 -9.079 0.844 1.00 0.00 C ATOM 872 OE1 GLU A 61 -3.792 -7.886 0.750 1.00 0.00 O ATOM 873 OE2 GLU A 61 -3.355 -10.012 1.091 1.00 0.00 O ATOM 0 H GLU A 61 -8.214 -6.579 1.586 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.370 -8.804 -0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.365 -7.511 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.222 -7.684 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.902 -10.193 1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.762 -9.813 -0.353 1.00 0.00 H new ATOM 880 N ALA A 62 -8.557 -9.527 3.083 1.00 0.00 N ATOM 881 CA ALA A 62 -8.775 -10.602 4.044 1.00 0.00 C ATOM 882 C ALA A 62 -10.071 -11.349 3.748 1.00 0.00 C ATOM 883 O ALA A 62 -10.409 -12.319 4.427 1.00 0.00 O ATOM 884 CB ALA A 62 -8.794 -10.048 5.461 1.00 0.00 C ATOM 0 H ALA A 62 -8.706 -8.590 3.457 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.950 -11.309 3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.958 -10.862 6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.840 -9.567 5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.598 -9.318 5.556 1.00 0.00 H new ATOM 890 N VAL A 63 -10.793 -10.891 2.730 1.00 0.00 N ATOM 891 CA VAL A 63 -12.053 -11.516 2.344 1.00 0.00 C ATOM 892 C VAL A 63 -12.139 -11.690 0.832 1.00 0.00 C ATOM 893 O VAL A 63 -12.451 -12.774 0.338 1.00 0.00 O ATOM 894 CB VAL A 63 -13.260 -10.689 2.825 1.00 0.00 C ATOM 895 CG1 VAL A 63 -14.551 -11.471 2.637 1.00 0.00 C ATOM 896 CG2 VAL A 63 -13.081 -10.281 4.279 1.00 0.00 C ATOM 0 H VAL A 63 -10.527 -10.090 2.158 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.080 -12.496 2.821 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.321 -9.783 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.393 -10.871 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -14.683 -11.708 1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.504 -12.395 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -13.943 -9.697 4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.994 -11.173 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.178 -9.680 4.380 1.00 0.00 H new ATOM 906 N PHE A 64 -11.860 -10.615 0.102 1.00 0.00 N ATOM 907 CA PHE A 64 -11.907 -10.648 -1.355 1.00 0.00 C ATOM 908 C PHE A 64 -10.645 -11.291 -1.925 1.00 0.00 C ATOM 909 O PHE A 64 -10.716 -12.162 -2.791 1.00 0.00 O ATOM 910 CB PHE A 64 -12.069 -9.233 -1.914 1.00 0.00 C ATOM 911 CG PHE A 64 -13.464 -8.692 -1.779 1.00 0.00 C ATOM 912 CD1 PHE A 64 -13.885 -8.113 -0.593 1.00 0.00 C ATOM 913 CD2 PHE A 64 -14.354 -8.763 -2.839 1.00 0.00 C ATOM 914 CE1 PHE A 64 -15.168 -7.614 -0.466 1.00 0.00 C ATOM 915 CE2 PHE A 64 -15.637 -8.265 -2.718 1.00 0.00 C ATOM 916 CZ PHE A 64 -16.045 -7.691 -1.530 1.00 0.00 C ATOM 0 H PHE A 64 -11.599 -9.711 0.495 1.00 0.00 H new ATOM 0 HA PHE A 64 -12.766 -11.249 -1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.378 -8.566 -1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -11.788 -9.232 -2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -13.203 -8.051 0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -14.041 -9.213 -3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -15.484 -7.165 0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -16.321 -8.325 -3.552 1.00 0.00 H new ATOM 0 HZ PHE A 64 -17.048 -7.303 -1.433 1.00 0.00 H new ATOM 926 N GLY A 65 -9.491 -10.853 -1.433 1.00 0.00 N ATOM 927 CA GLY A 65 -8.230 -11.394 -1.904 1.00 0.00 C ATOM 928 C GLY A 65 -7.281 -10.316 -2.389 1.00 0.00 C ATOM 929 O GLY A 65 -7.321 -9.173 -1.933 1.00 0.00 O ATOM 0 H GLY A 65 -9.407 -10.132 -0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.756 -11.956 -1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.420 -12.098 -2.714 1.00 0.00 H new ATOM 933 N PRO A 66 -6.401 -10.678 -3.334 1.00 0.00 N ATOM 934 CA PRO A 66 -5.420 -9.748 -3.901 1.00 0.00 C ATOM 935 C PRO A 66 -6.070 -8.682 -4.776 1.00 0.00 C ATOM 936 O PRO A 66 -7.266 -8.743 -5.060 1.00 0.00 O ATOM 937 CB PRO A 66 -4.517 -10.653 -4.743 1.00 0.00 C ATOM 938 CG PRO A 66 -5.373 -11.821 -5.093 1.00 0.00 C ATOM 939 CD PRO A 66 -6.296 -12.024 -3.923 1.00 0.00 C ATOM 0 HA PRO A 66 -4.889 -9.195 -3.126 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.164 -10.139 -5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.634 -10.962 -4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.937 -11.632 -6.006 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.767 -12.709 -5.271 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.269 -12.401 -4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.891 -12.744 -3.212 1.00 0.00 H new ATOM 947 N SER A 67 -5.275 -7.705 -5.201 1.00 0.00 N ATOM 948 CA SER A 67 -5.774 -6.623 -6.041 1.00 0.00 C ATOM 949 C SER A 67 -5.812 -7.047 -7.506 1.00 0.00 C ATOM 950 O SER A 67 -4.920 -7.750 -7.984 1.00 0.00 O ATOM 951 CB SER A 67 -4.899 -5.379 -5.880 1.00 0.00 C ATOM 952 OG SER A 67 -3.539 -5.674 -6.147 1.00 0.00 O ATOM 0 H SER A 67 -4.282 -7.641 -4.977 1.00 0.00 H new ATOM 0 HA SER A 67 -6.789 -6.387 -5.723 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.244 -4.598 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.998 -4.990 -4.867 1.00 0.00 H new ATOM 0 HG SER A 67 -3.001 -4.862 -6.039 1.00 0.00 H new ATOM 958 N ILE A 68 -6.849 -6.614 -8.214 1.00 0.00 N ATOM 959 CA ILE A 68 -7.003 -6.947 -9.625 1.00 0.00 C ATOM 960 C ILE A 68 -5.939 -6.257 -10.472 1.00 0.00 C ATOM 961 O ILE A 68 -5.274 -5.328 -10.015 1.00 0.00 O ATOM 962 CB ILE A 68 -8.396 -6.549 -10.148 1.00 0.00 C ATOM 963 CG1 ILE A 68 -9.486 -7.077 -9.213 1.00 0.00 C ATOM 964 CG2 ILE A 68 -8.602 -7.077 -11.561 1.00 0.00 C ATOM 965 CD1 ILE A 68 -9.469 -8.581 -9.054 1.00 0.00 C ATOM 0 H ILE A 68 -7.595 -6.032 -7.834 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.887 -8.028 -9.709 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.461 -5.461 -10.174 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.368 -6.615 -8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.460 -6.771 -9.594 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.591 -6.788 -11.917 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.842 -6.658 -12.220 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.521 -8.164 -11.559 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.268 -8.884 -8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.618 -9.051 -10.026 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.509 -8.893 -8.643 1.00 0.00 H new ATOM 977 N MET A 69 -5.785 -6.718 -11.709 1.00 0.00 N ATOM 978 CA MET A 69 -4.803 -6.143 -12.621 1.00 0.00 C ATOM 979 C MET A 69 -5.431 -5.846 -13.979 1.00 0.00 C ATOM 980 O MET A 69 -6.286 -6.593 -14.456 1.00 0.00 O ATOM 981 CB MET A 69 -3.616 -7.093 -12.792 1.00 0.00 C ATOM 982 CG MET A 69 -2.895 -7.405 -11.490 1.00 0.00 C ATOM 983 SD MET A 69 -1.221 -8.020 -11.754 1.00 0.00 S ATOM 984 CE MET A 69 -0.259 -6.735 -10.959 1.00 0.00 C ATOM 0 H MET A 69 -6.327 -7.487 -12.103 1.00 0.00 H new ATOM 0 HA MET A 69 -4.450 -5.206 -12.191 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.968 -8.025 -13.235 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.907 -6.653 -13.494 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.855 -6.505 -10.877 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.466 -8.146 -10.931 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.766 -6.767 -11.328 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.695 -5.762 -11.184 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.262 -6.893 -9.881 1.00 0.00 H new ATOM 994 N LYS A 70 -5.001 -4.752 -14.598 1.00 0.00 N ATOM 995 CA LYS A 70 -5.520 -4.357 -15.902 1.00 0.00 C ATOM 996 C LYS A 70 -5.150 -5.382 -16.969 1.00 0.00 C ATOM 997 O LYS A 70 -5.702 -5.375 -18.068 1.00 0.00 O ATOM 998 CB LYS A 70 -4.979 -2.979 -16.293 1.00 0.00 C ATOM 999 CG LYS A 70 -4.680 -2.083 -15.104 1.00 0.00 C ATOM 1000 CD LYS A 70 -4.458 -0.643 -15.533 1.00 0.00 C ATOM 1001 CE LYS A 70 -4.069 0.236 -14.354 1.00 0.00 C ATOM 1002 NZ LYS A 70 -3.403 1.493 -14.795 1.00 0.00 N ATOM 0 H LYS A 70 -4.294 -4.123 -14.217 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.607 -4.308 -15.833 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.068 -3.108 -16.878 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.704 -2.483 -16.938 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.507 -2.129 -14.395 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.795 -2.450 -14.585 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.675 -0.604 -16.291 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.367 -0.255 -15.993 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.959 0.481 -13.774 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.401 -0.317 -13.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.588 2.246 -14.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.378 1.335 -14.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.777 1.777 -15.723 1.00 0.00 H new ATOM 1016 N ASN A 71 -4.212 -6.263 -16.636 1.00 0.00 N ATOM 1017 CA ASN A 71 -3.769 -7.295 -17.566 1.00 0.00 C ATOM 1018 C ASN A 71 -3.071 -6.676 -18.774 1.00 0.00 C ATOM 1019 O ASN A 71 -3.362 -7.025 -19.918 1.00 0.00 O ATOM 1020 CB ASN A 71 -4.958 -8.140 -18.028 1.00 0.00 C ATOM 1021 CG ASN A 71 -5.145 -9.386 -17.184 1.00 0.00 C ATOM 1022 OD1 ASN A 71 -5.986 -9.420 -16.286 1.00 0.00 O ATOM 1023 ND2 ASN A 71 -4.358 -10.417 -17.469 1.00 0.00 N ATOM 0 H ASN A 71 -3.744 -6.283 -15.730 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.057 -7.936 -17.046 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.866 -7.538 -17.988 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.813 -8.428 -19.069 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.437 -11.282 -16.934 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.675 -10.344 -18.223 1.00 0.00 H new ATOM 1030 N TRP A 72 -2.149 -5.757 -18.510 1.00 0.00 N ATOM 1031 CA TRP A 72 -1.409 -5.090 -19.575 1.00 0.00 C ATOM 1032 C TRP A 72 -0.763 -6.107 -20.509 1.00 0.00 C ATOM 1033 O TRP A 72 0.035 -6.940 -20.079 1.00 0.00 O ATOM 1034 CB TRP A 72 -0.339 -4.172 -18.982 1.00 0.00 C ATOM 1035 CG TRP A 72 -0.905 -3.043 -18.175 1.00 0.00 C ATOM 1036 CD1 TRP A 72 -1.395 -3.112 -16.902 1.00 0.00 C ATOM 1037 CD2 TRP A 72 -1.042 -1.679 -18.587 1.00 0.00 C ATOM 1038 NE1 TRP A 72 -1.828 -1.872 -16.497 1.00 0.00 N ATOM 1039 CE2 TRP A 72 -1.621 -0.975 -17.512 1.00 0.00 C ATOM 1040 CE3 TRP A 72 -0.729 -0.982 -19.757 1.00 0.00 C ATOM 1041 CZ2 TRP A 72 -1.894 0.388 -17.577 1.00 0.00 C ATOM 1042 CZ3 TRP A 72 -1.001 0.371 -19.819 1.00 0.00 C ATOM 1043 CH2 TRP A 72 -1.578 1.045 -18.735 1.00 0.00 C ATOM 0 H TRP A 72 -1.896 -5.457 -17.568 1.00 0.00 H new ATOM 0 HA TRP A 72 -2.113 -4.491 -20.153 1.00 0.00 H new ATOM 0 HB2 TRP A 72 0.326 -4.762 -18.352 1.00 0.00 H new ATOM 0 HB3 TRP A 72 0.267 -3.763 -19.790 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -1.436 -4.009 -16.302 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.237 -1.655 -15.588 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.282 -1.492 -20.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -2.340 0.909 -16.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -0.765 0.919 -20.719 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.777 2.103 -18.815 1.00 0.00 H new ATOM 1054 N HIS A 73 -1.113 -6.035 -21.789 1.00 0.00 N ATOM 1055 CA HIS A 73 -0.566 -6.950 -22.785 1.00 0.00 C ATOM 1056 C HIS A 73 0.345 -6.210 -23.760 1.00 0.00 C ATOM 1057 O HIS A 73 0.297 -6.443 -24.967 1.00 0.00 O ATOM 1058 CB HIS A 73 -1.696 -7.641 -23.549 1.00 0.00 C ATOM 1059 CG HIS A 73 -2.656 -6.687 -24.190 1.00 0.00 C ATOM 1060 ND1 HIS A 73 -2.763 -6.531 -25.556 1.00 0.00 N ATOM 1061 CD2 HIS A 73 -3.558 -5.838 -23.644 1.00 0.00 C ATOM 1062 CE1 HIS A 73 -3.687 -5.626 -25.823 1.00 0.00 C ATOM 1063 NE2 HIS A 73 -4.186 -5.190 -24.680 1.00 0.00 N ATOM 0 H HIS A 73 -1.773 -5.352 -22.161 1.00 0.00 H new ATOM 0 HA HIS A 73 0.024 -7.704 -22.264 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.265 -8.282 -24.318 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.243 -8.289 -22.864 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.748 -5.696 -22.590 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.984 -5.298 -26.808 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.918 -4.487 -24.583 1.00 0.00 H new ATOM 1072 N SER A 74 1.174 -5.318 -23.227 1.00 0.00 N ATOM 1073 CA SER A 74 2.093 -4.542 -24.050 1.00 0.00 C ATOM 1074 C SER A 74 3.518 -4.637 -23.512 1.00 0.00 C ATOM 1075 O SER A 74 4.004 -3.724 -22.846 1.00 0.00 O ATOM 1076 CB SER A 74 1.653 -3.077 -24.101 1.00 0.00 C ATOM 1077 OG SER A 74 2.557 -2.299 -24.866 1.00 0.00 O ATOM 0 H SER A 74 1.228 -5.115 -22.229 1.00 0.00 H new ATOM 0 HA SER A 74 2.075 -4.956 -25.058 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.654 -3.009 -24.533 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.591 -2.677 -23.089 1.00 0.00 H new ATOM 0 HG SER A 74 2.253 -1.368 -24.884 1.00 0.00 H new ATOM 1083 N GLY A 75 4.182 -5.751 -23.807 1.00 0.00 N ATOM 1084 CA GLY A 75 5.544 -5.947 -23.346 1.00 0.00 C ATOM 1085 C GLY A 75 5.971 -7.400 -23.402 1.00 0.00 C ATOM 1086 O GLY A 75 5.227 -8.304 -23.021 1.00 0.00 O ATOM 0 H GLY A 75 3.801 -6.521 -24.357 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.221 -5.349 -23.956 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.634 -5.584 -22.322 1.00 0.00 H new ATOM 1090 N PRO A 76 7.198 -7.642 -23.887 1.00 0.00 N ATOM 1091 CA PRO A 76 7.751 -8.994 -24.004 1.00 0.00 C ATOM 1092 C PRO A 76 8.060 -9.614 -22.646 1.00 0.00 C ATOM 1093 O PRO A 76 8.606 -8.953 -21.762 1.00 0.00 O ATOM 1094 CB PRO A 76 9.040 -8.783 -24.802 1.00 0.00 C ATOM 1095 CG PRO A 76 9.428 -7.371 -24.528 1.00 0.00 C ATOM 1096 CD PRO A 76 8.140 -6.613 -24.359 1.00 0.00 C ATOM 0 HA PRO A 76 7.049 -9.681 -24.476 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.819 -9.476 -24.486 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.878 -8.950 -25.867 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.042 -7.302 -23.630 1.00 0.00 H new ATOM 0 HG3 PRO A 76 10.017 -6.962 -25.349 1.00 0.00 H new ATOM 0 HD2 PRO A 76 8.243 -5.802 -23.639 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.810 -6.166 -25.297 1.00 0.00 H new ATOM 1104 N SER A 77 7.708 -10.886 -22.486 1.00 0.00 N ATOM 1105 CA SER A 77 7.946 -11.593 -21.234 1.00 0.00 C ATOM 1106 C SER A 77 9.145 -12.527 -21.356 1.00 0.00 C ATOM 1107 O SER A 77 9.000 -13.700 -21.702 1.00 0.00 O ATOM 1108 CB SER A 77 6.704 -12.390 -20.830 1.00 0.00 C ATOM 1109 OG SER A 77 5.773 -11.571 -20.144 1.00 0.00 O ATOM 0 H SER A 77 7.257 -11.448 -23.208 1.00 0.00 H new ATOM 0 HA SER A 77 8.161 -10.853 -20.463 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.235 -12.814 -21.718 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.995 -13.226 -20.194 1.00 0.00 H new ATOM 0 HG SER A 77 4.988 -12.103 -19.898 1.00 0.00 H new ATOM 1115 N SER A 78 10.331 -11.999 -21.070 1.00 0.00 N ATOM 1116 CA SER A 78 11.558 -12.783 -21.152 1.00 0.00 C ATOM 1117 C SER A 78 12.165 -12.987 -19.768 1.00 0.00 C ATOM 1118 O SER A 78 13.041 -12.233 -19.345 1.00 0.00 O ATOM 1119 CB SER A 78 12.569 -12.093 -22.069 1.00 0.00 C ATOM 1120 OG SER A 78 12.780 -10.748 -21.675 1.00 0.00 O ATOM 0 H SER A 78 10.468 -11.031 -20.779 1.00 0.00 H new ATOM 0 HA SER A 78 11.309 -13.759 -21.568 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.515 -12.635 -22.046 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.210 -12.122 -23.098 1.00 0.00 H new ATOM 0 HG SER A 78 12.938 -10.711 -20.709 1.00 0.00 H new ATOM 1126 N GLY A 79 11.693 -14.013 -19.066 1.00 0.00 N ATOM 1127 CA GLY A 79 12.200 -14.298 -17.736 1.00 0.00 C ATOM 1128 C GLY A 79 12.573 -13.041 -16.976 1.00 0.00 C ATOM 1129 O GLY A 79 11.791 -12.092 -16.966 1.00 0.00 O ATOM 0 H GLY A 79 10.969 -14.652 -19.394 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.446 -14.849 -17.173 1.00 0.00 H new ATOM 0 HA3 GLY A 79 13.074 -14.944 -17.815 1.00 0.00 H new TER 1133 GLY A 79 HETATM 1134 ZN ZN A 201 -0.125 5.403 5.652 1.00 0.00 ZN HETATM 1135 ZN ZN A 401 -11.242 -1.851 0.916 1.00 0.00 ZN