USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 LYS NZ :NH3+ -126:sc= 0.662 (180deg=-0.268) USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= 0.256 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0238 (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 11 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 17 SER OG : rot 170:sc= -0.239 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -107:sc= 1.4 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 36:sc= 0.42 USER MOD Single : A 41 LYS NZ :NH3+ 147:sc= -1.47 (180deg=-3.39!) USER MOD Single : A 46 SER OG : rot 180:sc= -1.36 USER MOD Single : A 56 SER OG : rot 72:sc= 1.25 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0952 USER MOD Single : A 63 SER OG : rot 170:sc= 0 USER MOD Single : A 69 CYS SG : rot -170:sc= -0.956 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.034 10.477 -29.874 1.00 0.00 N ATOM 2 CA GLY A 1 -1.676 9.185 -30.031 1.00 0.00 C ATOM 3 C GLY A 1 -1.577 8.332 -28.782 1.00 0.00 C ATOM 4 O GLY A 1 -1.546 8.854 -27.667 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.698 11.230 -30.145 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.751 10.606 -28.882 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.192 10.523 -30.483 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.726 9.333 -30.284 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.219 8.655 -30.866 1.00 0.00 H new ATOM 8 N SER A 2 -1.527 7.017 -28.967 1.00 0.00 N ATOM 9 CA SER A 2 -1.436 6.090 -27.845 1.00 0.00 C ATOM 10 C SER A 2 -0.011 5.572 -27.682 1.00 0.00 C ATOM 11 O SER A 2 0.527 4.912 -28.571 1.00 0.00 O ATOM 12 CB SER A 2 -2.397 4.917 -28.046 1.00 0.00 C ATOM 13 OG SER A 2 -3.743 5.360 -28.078 1.00 0.00 O ATOM 0 H SER A 2 -1.548 6.569 -29.883 1.00 0.00 H new ATOM 0 HA SER A 2 -1.714 6.628 -26.939 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.158 4.402 -28.977 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.268 4.195 -27.240 1.00 0.00 H new ATOM 0 HG SER A 2 -4.337 4.592 -28.209 1.00 0.00 H new ATOM 19 N SER A 3 0.596 5.877 -26.540 1.00 0.00 N ATOM 20 CA SER A 3 1.961 5.447 -26.260 1.00 0.00 C ATOM 21 C SER A 3 2.037 4.711 -24.926 1.00 0.00 C ATOM 22 O SER A 3 1.156 4.848 -24.078 1.00 0.00 O ATOM 23 CB SER A 3 2.906 6.650 -26.246 1.00 0.00 C ATOM 24 OG SER A 3 2.799 7.396 -27.446 1.00 0.00 O ATOM 0 H SER A 3 0.164 6.421 -25.793 1.00 0.00 H new ATOM 0 HA SER A 3 2.268 4.762 -27.051 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.673 7.289 -25.395 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.933 6.308 -26.117 1.00 0.00 H new ATOM 0 HG SER A 3 3.411 8.160 -27.412 1.00 0.00 H new ATOM 30 N GLY A 4 3.096 3.928 -24.748 1.00 0.00 N ATOM 31 CA GLY A 4 3.268 3.181 -23.516 1.00 0.00 C ATOM 32 C GLY A 4 3.311 1.683 -23.746 1.00 0.00 C ATOM 33 O GLY A 4 3.580 1.227 -24.857 1.00 0.00 O ATOM 0 H GLY A 4 3.838 3.798 -25.435 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.191 3.497 -23.029 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.451 3.417 -22.835 1.00 0.00 H new ATOM 37 N SER A 5 3.046 0.916 -22.694 1.00 0.00 N ATOM 38 CA SER A 5 3.060 -0.539 -22.785 1.00 0.00 C ATOM 39 C SER A 5 1.683 -1.117 -22.473 1.00 0.00 C ATOM 40 O SER A 5 1.009 -0.675 -21.543 1.00 0.00 O ATOM 41 CB SER A 5 4.100 -1.121 -21.826 1.00 0.00 C ATOM 42 OG SER A 5 5.375 -0.542 -22.042 1.00 0.00 O ATOM 0 H SER A 5 2.819 1.278 -21.768 1.00 0.00 H new ATOM 0 HA SER A 5 3.325 -0.812 -23.806 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.788 -0.946 -20.796 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.160 -2.201 -21.962 1.00 0.00 H new ATOM 0 HG SER A 5 6.021 -0.930 -21.415 1.00 0.00 H new ATOM 48 N SER A 6 1.272 -2.108 -23.257 1.00 0.00 N ATOM 49 CA SER A 6 -0.026 -2.745 -23.068 1.00 0.00 C ATOM 50 C SER A 6 -0.028 -3.611 -21.812 1.00 0.00 C ATOM 51 O SER A 6 1.025 -3.933 -21.265 1.00 0.00 O ATOM 52 CB SER A 6 -0.383 -3.596 -24.288 1.00 0.00 C ATOM 53 OG SER A 6 -0.360 -2.821 -25.475 1.00 0.00 O ATOM 0 H SER A 6 1.819 -2.488 -24.030 1.00 0.00 H new ATOM 0 HA SER A 6 -0.774 -1.961 -22.949 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.321 -4.424 -24.377 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.373 -4.032 -24.154 1.00 0.00 H new ATOM 0 HG SER A 6 -0.590 -3.388 -26.240 1.00 0.00 H new ATOM 59 N GLY A 7 -1.222 -3.984 -21.360 1.00 0.00 N ATOM 60 CA GLY A 7 -1.341 -4.808 -20.172 1.00 0.00 C ATOM 61 C GLY A 7 -2.294 -5.971 -20.366 1.00 0.00 C ATOM 62 O GLY A 7 -3.289 -5.872 -21.084 1.00 0.00 O ATOM 0 H GLY A 7 -2.109 -3.730 -21.796 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.357 -5.190 -19.899 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.687 -4.194 -19.341 1.00 0.00 H new ATOM 66 N PRO A 8 -1.991 -7.104 -19.715 1.00 0.00 N ATOM 67 CA PRO A 8 -2.816 -8.313 -19.805 1.00 0.00 C ATOM 68 C PRO A 8 -4.159 -8.152 -19.100 1.00 0.00 C ATOM 69 O PRO A 8 -4.441 -7.107 -18.512 1.00 0.00 O ATOM 70 CB PRO A 8 -1.967 -9.375 -19.102 1.00 0.00 C ATOM 71 CG PRO A 8 -1.099 -8.607 -18.166 1.00 0.00 C ATOM 72 CD PRO A 8 -0.821 -7.293 -18.842 1.00 0.00 C ATOM 0 HA PRO A 8 -3.065 -8.561 -20.837 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.591 -10.090 -18.566 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.372 -9.944 -19.817 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.597 -8.455 -17.208 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.173 -9.145 -17.963 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.723 -6.482 -18.120 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.106 -7.324 -19.414 1.00 0.00 H new ATOM 80 N LEU A 9 -4.983 -9.191 -19.164 1.00 0.00 N ATOM 81 CA LEU A 9 -6.297 -9.165 -18.531 1.00 0.00 C ATOM 82 C LEU A 9 -6.235 -8.471 -17.174 1.00 0.00 C ATOM 83 O LEU A 9 -5.198 -8.446 -16.509 1.00 0.00 O ATOM 84 CB LEU A 9 -6.833 -10.588 -18.364 1.00 0.00 C ATOM 85 CG LEU A 9 -7.462 -11.219 -19.607 1.00 0.00 C ATOM 86 CD1 LEU A 9 -7.635 -12.718 -19.416 1.00 0.00 C ATOM 87 CD2 LEU A 9 -8.797 -10.561 -19.922 1.00 0.00 C ATOM 0 H LEU A 9 -4.765 -10.062 -19.648 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.972 -8.602 -19.176 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.014 -11.226 -18.032 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.577 -10.583 -17.567 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.792 -11.057 -20.452 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.084 -13.149 -20.311 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.662 -13.177 -19.241 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.283 -12.903 -18.559 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.230 -11.023 -20.809 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.475 -10.691 -19.078 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.644 -9.497 -20.104 1.00 0.00 H new ATOM 99 N PRO A 10 -7.370 -7.896 -16.750 1.00 0.00 N ATOM 100 CA PRO A 10 -7.470 -7.194 -15.467 1.00 0.00 C ATOM 101 C PRO A 10 -7.393 -8.145 -14.278 1.00 0.00 C ATOM 102 O PRO A 10 -7.089 -7.732 -13.160 1.00 0.00 O ATOM 103 CB PRO A 10 -8.848 -6.530 -15.533 1.00 0.00 C ATOM 104 CG PRO A 10 -9.630 -7.375 -16.479 1.00 0.00 C ATOM 105 CD PRO A 10 -8.643 -7.887 -17.490 1.00 0.00 C ATOM 0 HA PRO A 10 -6.649 -6.491 -15.322 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.319 -6.496 -14.550 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.776 -5.502 -15.887 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.116 -8.199 -15.956 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.417 -6.795 -16.961 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.910 -8.883 -17.843 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.594 -7.241 -18.366 1.00 0.00 H new ATOM 113 N ASN A 11 -7.670 -9.421 -14.527 1.00 0.00 N ATOM 114 CA ASN A 11 -7.632 -10.431 -13.476 1.00 0.00 C ATOM 115 C ASN A 11 -6.534 -11.455 -13.746 1.00 0.00 C ATOM 116 O ASN A 11 -6.308 -11.876 -14.880 1.00 0.00 O ATOM 117 CB ASN A 11 -8.986 -11.135 -13.367 1.00 0.00 C ATOM 118 CG ASN A 11 -10.150 -10.174 -13.511 1.00 0.00 C ATOM 119 OD1 ASN A 11 -10.899 -10.231 -14.486 1.00 0.00 O ATOM 120 ND2 ASN A 11 -10.307 -9.284 -12.538 1.00 0.00 N ATOM 0 H ASN A 11 -7.923 -9.780 -15.448 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.414 -9.930 -12.533 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.056 -11.904 -14.136 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.053 -11.641 -12.404 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.073 -8.611 -12.581 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.662 -9.273 -11.748 1.00 0.00 H new ATOM 127 N PRO A 12 -5.834 -11.867 -12.678 1.00 0.00 N ATOM 128 CA PRO A 12 -4.749 -12.848 -12.773 1.00 0.00 C ATOM 129 C PRO A 12 -5.259 -14.247 -13.102 1.00 0.00 C ATOM 130 O PRO A 12 -4.482 -15.197 -13.184 1.00 0.00 O ATOM 131 CB PRO A 12 -4.123 -12.821 -11.377 1.00 0.00 C ATOM 132 CG PRO A 12 -5.218 -12.359 -10.479 1.00 0.00 C ATOM 133 CD PRO A 12 -6.049 -11.408 -11.296 1.00 0.00 C ATOM 0 HA PRO A 12 -4.050 -12.606 -13.573 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.762 -13.808 -11.086 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.269 -12.145 -11.339 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.817 -13.200 -10.129 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.815 -11.865 -9.595 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.102 -11.453 -11.017 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.727 -10.375 -11.161 1.00 0.00 H new ATOM 141 N GLU A 13 -6.570 -14.365 -13.288 1.00 0.00 N ATOM 142 CA GLU A 13 -7.183 -15.650 -13.607 1.00 0.00 C ATOM 143 C GLU A 13 -6.464 -16.789 -12.890 1.00 0.00 C ATOM 144 O GLU A 13 -6.386 -17.906 -13.398 1.00 0.00 O ATOM 145 CB GLU A 13 -7.161 -15.889 -15.118 1.00 0.00 C ATOM 146 CG GLU A 13 -5.784 -16.235 -15.659 1.00 0.00 C ATOM 147 CD GLU A 13 -5.845 -17.130 -16.881 1.00 0.00 C ATOM 148 OE1 GLU A 13 -5.966 -18.361 -16.710 1.00 0.00 O ATOM 149 OE2 GLU A 13 -5.773 -16.600 -18.009 1.00 0.00 O ATOM 0 H GLU A 13 -7.227 -13.588 -13.223 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.218 -15.625 -13.265 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.851 -16.698 -15.360 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.527 -14.996 -15.624 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.256 -15.316 -15.913 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.205 -16.730 -14.879 1.00 0.00 H new ATOM 156 N GLY A 14 -5.938 -16.495 -11.704 1.00 0.00 N ATOM 157 CA GLY A 14 -5.232 -17.504 -10.936 1.00 0.00 C ATOM 158 C GLY A 14 -5.246 -17.215 -9.448 1.00 0.00 C ATOM 159 O GLY A 14 -6.272 -17.379 -8.786 1.00 0.00 O ATOM 0 H GLY A 14 -5.988 -15.577 -11.262 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.686 -18.478 -11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.200 -17.563 -11.282 1.00 0.00 H new ATOM 163 N LEU A 15 -4.106 -16.786 -8.919 1.00 0.00 N ATOM 164 CA LEU A 15 -3.991 -16.476 -7.498 1.00 0.00 C ATOM 165 C LEU A 15 -3.570 -15.024 -7.291 1.00 0.00 C ATOM 166 O LEU A 15 -2.400 -14.677 -7.455 1.00 0.00 O ATOM 167 CB LEU A 15 -2.981 -17.412 -6.832 1.00 0.00 C ATOM 168 CG LEU A 15 -2.591 -17.065 -5.394 1.00 0.00 C ATOM 169 CD1 LEU A 15 -3.820 -17.048 -4.498 1.00 0.00 C ATOM 170 CD2 LEU A 15 -1.559 -18.052 -4.869 1.00 0.00 C ATOM 0 H LEU A 15 -3.248 -16.645 -9.452 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.969 -16.621 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.390 -18.422 -6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.076 -17.428 -7.439 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.148 -16.069 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.524 -16.799 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.526 -16.302 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.292 -18.030 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.293 -17.790 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.975 -19.059 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.668 -18.015 -5.496 1.00 0.00 H new ATOM 182 N ASP A 16 -4.530 -14.182 -6.927 1.00 0.00 N ATOM 183 CA ASP A 16 -4.258 -12.768 -6.693 1.00 0.00 C ATOM 184 C ASP A 16 -3.171 -12.591 -5.638 1.00 0.00 C ATOM 185 O ASP A 16 -2.884 -13.507 -4.868 1.00 0.00 O ATOM 186 CB ASP A 16 -5.534 -12.047 -6.255 1.00 0.00 C ATOM 187 CG ASP A 16 -6.146 -12.659 -5.010 1.00 0.00 C ATOM 188 OD1 ASP A 16 -5.383 -13.021 -4.090 1.00 0.00 O ATOM 189 OD2 ASP A 16 -7.388 -12.775 -4.955 1.00 0.00 O ATOM 0 H ASP A 16 -5.503 -14.453 -6.787 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.906 -12.331 -7.628 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.309 -10.997 -6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.261 -12.077 -7.066 1.00 0.00 H new ATOM 194 N SER A 17 -2.569 -11.406 -5.610 1.00 0.00 N ATOM 195 CA SER A 17 -1.510 -11.110 -4.652 1.00 0.00 C ATOM 196 C SER A 17 -2.084 -10.494 -3.380 1.00 0.00 C ATOM 197 O SER A 17 -3.226 -10.036 -3.360 1.00 0.00 O ATOM 198 CB SER A 17 -0.483 -10.161 -5.273 1.00 0.00 C ATOM 199 OG SER A 17 0.490 -9.768 -4.320 1.00 0.00 O ATOM 0 H SER A 17 -2.796 -10.636 -6.239 1.00 0.00 H new ATOM 0 HA SER A 17 -1.018 -12.047 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.006 -10.650 -6.116 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.989 -9.279 -5.666 1.00 0.00 H new ATOM 0 HG SER A 17 1.220 -9.297 -4.773 1.00 0.00 H new ATOM 205 N ASP A 18 -1.283 -10.487 -2.320 1.00 0.00 N ATOM 206 CA ASP A 18 -1.709 -9.927 -1.043 1.00 0.00 C ATOM 207 C ASP A 18 -2.020 -8.440 -1.178 1.00 0.00 C ATOM 208 O ASP A 18 -1.240 -7.682 -1.756 1.00 0.00 O ATOM 209 CB ASP A 18 -0.629 -10.140 0.018 1.00 0.00 C ATOM 210 CG ASP A 18 -0.708 -11.513 0.657 1.00 0.00 C ATOM 211 OD1 ASP A 18 -0.729 -12.515 -0.089 1.00 0.00 O ATOM 212 OD2 ASP A 18 -0.747 -11.586 1.903 1.00 0.00 O ATOM 0 H ASP A 18 -0.335 -10.863 -2.320 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.618 -10.443 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.353 -10.010 -0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.727 -9.377 0.790 1.00 0.00 H new ATOM 217 N PHE A 19 -3.165 -8.028 -0.643 1.00 0.00 N ATOM 218 CA PHE A 19 -3.580 -6.632 -0.706 1.00 0.00 C ATOM 219 C PHE A 19 -3.483 -5.973 0.667 1.00 0.00 C ATOM 220 O PHE A 19 -3.728 -6.610 1.692 1.00 0.00 O ATOM 221 CB PHE A 19 -5.012 -6.527 -1.235 1.00 0.00 C ATOM 222 CG PHE A 19 -5.222 -7.236 -2.542 1.00 0.00 C ATOM 223 CD1 PHE A 19 -4.388 -6.990 -3.621 1.00 0.00 C ATOM 224 CD2 PHE A 19 -6.253 -8.149 -2.692 1.00 0.00 C ATOM 225 CE1 PHE A 19 -4.578 -7.641 -4.825 1.00 0.00 C ATOM 226 CE2 PHE A 19 -6.448 -8.804 -3.894 1.00 0.00 C ATOM 227 CZ PHE A 19 -5.610 -8.549 -4.962 1.00 0.00 C ATOM 0 H PHE A 19 -3.822 -8.642 -0.161 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.909 -6.110 -1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.696 -6.939 -0.493 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.270 -5.475 -1.356 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.580 -6.281 -3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.912 -8.351 -1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.920 -7.440 -5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.255 -9.514 -3.998 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.761 -9.058 -5.902 1.00 0.00 H new ATOM 237 N LEU A 20 -3.123 -4.694 0.679 1.00 0.00 N ATOM 238 CA LEU A 20 -2.993 -3.948 1.925 1.00 0.00 C ATOM 239 C LEU A 20 -3.658 -2.580 1.812 1.00 0.00 C ATOM 240 O LEU A 20 -3.177 -1.702 1.097 1.00 0.00 O ATOM 241 CB LEU A 20 -1.517 -3.782 2.291 1.00 0.00 C ATOM 242 CG LEU A 20 -0.592 -4.930 1.887 1.00 0.00 C ATOM 243 CD1 LEU A 20 0.854 -4.461 1.843 1.00 0.00 C ATOM 244 CD2 LEU A 20 -0.746 -6.102 2.846 1.00 0.00 C ATOM 0 H LEU A 20 -2.916 -4.152 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.495 -4.511 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.150 -2.866 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.444 -3.646 3.370 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.874 -5.264 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.497 -5.292 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.953 -3.655 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.149 -4.099 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.080 -6.910 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.491 -5.781 3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.777 -6.455 2.826 1.00 0.00 H new ATOM 256 N ALA A 21 -4.766 -2.405 2.526 1.00 0.00 N ATOM 257 CA ALA A 21 -5.494 -1.143 2.509 1.00 0.00 C ATOM 258 C ALA A 21 -4.830 -0.114 3.417 1.00 0.00 C ATOM 259 O ALA A 21 -4.579 -0.379 4.593 1.00 0.00 O ATOM 260 CB ALA A 21 -6.941 -1.363 2.927 1.00 0.00 C ATOM 0 H ALA A 21 -5.178 -3.122 3.123 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.476 -0.755 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.473 -0.412 2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.418 -2.058 2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.970 -1.777 3.935 1.00 0.00 H new ATOM 266 N VAL A 22 -4.546 1.061 2.865 1.00 0.00 N ATOM 267 CA VAL A 22 -3.911 2.131 3.625 1.00 0.00 C ATOM 268 C VAL A 22 -4.788 2.570 4.793 1.00 0.00 C ATOM 269 O VAL A 22 -5.751 3.316 4.614 1.00 0.00 O ATOM 270 CB VAL A 22 -3.611 3.351 2.735 1.00 0.00 C ATOM 271 CG1 VAL A 22 -3.013 4.480 3.560 1.00 0.00 C ATOM 272 CG2 VAL A 22 -2.682 2.963 1.595 1.00 0.00 C ATOM 0 H VAL A 22 -4.746 1.296 1.893 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.972 1.732 4.009 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.548 3.704 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.808 5.333 2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.717 4.775 4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.085 4.142 4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.481 3.837 0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.745 2.583 2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.154 2.190 0.988 1.00 0.00 H new ATOM 282 N LEU A 23 -4.447 2.104 5.989 1.00 0.00 N ATOM 283 CA LEU A 23 -5.203 2.449 7.188 1.00 0.00 C ATOM 284 C LEU A 23 -5.161 3.952 7.444 1.00 0.00 C ATOM 285 O LEU A 23 -6.106 4.526 7.985 1.00 0.00 O ATOM 286 CB LEU A 23 -4.646 1.698 8.399 1.00 0.00 C ATOM 287 CG LEU A 23 -4.700 0.172 8.326 1.00 0.00 C ATOM 288 CD1 LEU A 23 -3.554 -0.441 9.116 1.00 0.00 C ATOM 289 CD2 LEU A 23 -6.038 -0.340 8.838 1.00 0.00 C ATOM 0 H LEU A 23 -3.652 1.486 6.155 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.241 2.155 7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.608 1.998 8.541 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.195 2.019 9.284 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.595 -0.127 7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.609 -1.528 9.053 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.604 -0.101 8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.626 -0.134 10.159 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.058 -1.428 8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.173 -0.031 9.874 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.842 0.072 8.228 1.00 0.00 H new ATOM 301 N SER A 24 -4.061 4.584 7.049 1.00 0.00 N ATOM 302 CA SER A 24 -3.896 6.021 7.237 1.00 0.00 C ATOM 303 C SER A 24 -2.825 6.572 6.301 1.00 0.00 C ATOM 304 O SER A 24 -1.707 6.058 6.248 1.00 0.00 O ATOM 305 CB SER A 24 -3.525 6.327 8.690 1.00 0.00 C ATOM 306 OG SER A 24 -3.676 7.707 8.974 1.00 0.00 O ATOM 0 H SER A 24 -3.271 4.124 6.597 1.00 0.00 H new ATOM 0 HA SER A 24 -4.844 6.504 7.001 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.156 5.743 9.361 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.495 6.024 8.877 1.00 0.00 H new ATOM 0 HG SER A 24 -3.435 7.877 9.908 1.00 0.00 H new ATOM 312 N ASP A 25 -3.175 7.619 5.563 1.00 0.00 N ATOM 313 CA ASP A 25 -2.245 8.242 4.628 1.00 0.00 C ATOM 314 C ASP A 25 -0.843 8.316 5.225 1.00 0.00 C ATOM 315 O ASP A 25 -0.677 8.587 6.415 1.00 0.00 O ATOM 316 CB ASP A 25 -2.728 9.644 4.252 1.00 0.00 C ATOM 317 CG ASP A 25 -3.300 10.396 5.438 1.00 0.00 C ATOM 318 OD1 ASP A 25 -2.597 10.510 6.464 1.00 0.00 O ATOM 319 OD2 ASP A 25 -4.450 10.872 5.339 1.00 0.00 O ATOM 0 H ASP A 25 -4.097 8.055 5.594 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.206 7.627 3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.897 10.211 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.487 9.567 3.474 1.00 0.00 H new ATOM 324 N TYR A 26 0.163 8.074 4.392 1.00 0.00 N ATOM 325 CA TYR A 26 1.550 8.110 4.838 1.00 0.00 C ATOM 326 C TYR A 26 2.496 8.317 3.659 1.00 0.00 C ATOM 327 O TYR A 26 2.229 7.895 2.534 1.00 0.00 O ATOM 328 CB TYR A 26 1.906 6.816 5.572 1.00 0.00 C ATOM 329 CG TYR A 26 3.358 6.419 5.429 1.00 0.00 C ATOM 330 CD1 TYR A 26 3.871 6.016 4.202 1.00 0.00 C ATOM 331 CD2 TYR A 26 4.217 6.445 6.520 1.00 0.00 C ATOM 332 CE1 TYR A 26 5.196 5.651 4.066 1.00 0.00 C ATOM 333 CE2 TYR A 26 5.544 6.084 6.394 1.00 0.00 C ATOM 334 CZ TYR A 26 6.029 5.687 5.165 1.00 0.00 C ATOM 335 OH TYR A 26 7.350 5.325 5.036 1.00 0.00 O ATOM 0 H TYR A 26 0.043 7.851 3.404 1.00 0.00 H new ATOM 0 HA TYR A 26 1.663 8.950 5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.672 6.932 6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.278 6.009 5.194 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.222 5.988 3.339 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.840 6.753 7.484 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.578 5.339 3.105 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.198 6.112 7.253 1.00 0.00 H new ATOM 0 HH TYR A 26 7.491 4.449 5.453 1.00 0.00 H new ATOM 345 N PRO A 27 3.631 8.982 3.922 1.00 0.00 N ATOM 346 CA PRO A 27 3.960 9.489 5.257 1.00 0.00 C ATOM 347 C PRO A 27 3.067 10.654 5.671 1.00 0.00 C ATOM 348 O PRO A 27 2.123 11.006 4.964 1.00 0.00 O ATOM 349 CB PRO A 27 5.411 9.954 5.113 1.00 0.00 C ATOM 350 CG PRO A 27 5.568 10.261 3.663 1.00 0.00 C ATOM 351 CD PRO A 27 4.680 9.290 2.936 1.00 0.00 C ATOM 0 HA PRO A 27 3.815 8.731 6.027 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.608 10.833 5.727 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.109 9.179 5.432 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.279 11.290 3.448 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.606 10.150 3.351 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.263 9.728 2.029 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.225 8.395 2.636 1.00 0.00 H new ATOM 359 N SER A 28 3.371 11.247 6.821 1.00 0.00 N ATOM 360 CA SER A 28 2.593 12.370 7.331 1.00 0.00 C ATOM 361 C SER A 28 2.875 13.636 6.528 1.00 0.00 C ATOM 362 O SER A 28 3.941 13.799 5.932 1.00 0.00 O ATOM 363 CB SER A 28 2.909 12.609 8.808 1.00 0.00 C ATOM 364 OG SER A 28 2.413 11.553 9.613 1.00 0.00 O ATOM 0 H SER A 28 4.150 10.969 7.417 1.00 0.00 H new ATOM 0 HA SER A 28 1.536 12.123 7.228 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.987 12.698 8.943 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.469 13.553 9.129 1.00 0.00 H new ATOM 0 HG SER A 28 2.629 11.729 10.553 1.00 0.00 H new ATOM 370 N PRO A 29 1.898 14.555 6.510 1.00 0.00 N ATOM 371 CA PRO A 29 2.018 15.823 5.784 1.00 0.00 C ATOM 372 C PRO A 29 3.027 16.767 6.428 1.00 0.00 C ATOM 373 O PRO A 29 3.230 17.887 5.960 1.00 0.00 O ATOM 374 CB PRO A 29 0.607 16.412 5.866 1.00 0.00 C ATOM 375 CG PRO A 29 0.014 15.807 7.090 1.00 0.00 C ATOM 376 CD PRO A 29 0.602 14.427 7.197 1.00 0.00 C ATOM 0 HA PRO A 29 2.376 15.677 4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.636 17.499 5.936 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.023 16.165 4.980 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.250 16.401 7.973 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.073 15.763 7.017 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.726 14.123 8.236 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.034 13.681 6.720 1.00 0.00 H new ATOM 384 N ASP A 30 3.659 16.306 7.502 1.00 0.00 N ATOM 385 CA ASP A 30 4.649 17.110 8.210 1.00 0.00 C ATOM 386 C ASP A 30 6.061 16.606 7.925 1.00 0.00 C ATOM 387 O ASP A 30 7.043 17.294 8.203 1.00 0.00 O ATOM 388 CB ASP A 30 4.378 17.082 9.715 1.00 0.00 C ATOM 389 CG ASP A 30 3.358 18.121 10.139 1.00 0.00 C ATOM 390 OD1 ASP A 30 3.764 19.264 10.436 1.00 0.00 O ATOM 391 OD2 ASP A 30 2.154 17.790 10.174 1.00 0.00 O ATOM 0 H ASP A 30 3.504 15.380 7.901 1.00 0.00 H new ATOM 0 HA ASP A 30 4.570 18.137 7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.023 16.091 9.999 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.311 17.252 10.252 1.00 0.00 H new ATOM 396 N ILE A 31 6.153 15.401 7.372 1.00 0.00 N ATOM 397 CA ILE A 31 7.444 14.806 7.050 1.00 0.00 C ATOM 398 C ILE A 31 7.627 14.671 5.542 1.00 0.00 C ATOM 399 O ILE A 31 8.633 15.112 4.986 1.00 0.00 O ATOM 400 CB ILE A 31 7.603 13.420 7.702 1.00 0.00 C ATOM 401 CG1 ILE A 31 6.927 13.397 9.074 1.00 0.00 C ATOM 402 CG2 ILE A 31 9.076 13.058 7.824 1.00 0.00 C ATOM 403 CD1 ILE A 31 7.289 12.186 9.906 1.00 0.00 C ATOM 0 H ILE A 31 5.349 14.818 7.138 1.00 0.00 H new ATOM 0 HA ILE A 31 8.208 15.475 7.447 1.00 0.00 H new ATOM 0 HB ILE A 31 7.118 12.678 7.067 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.202 14.299 9.621 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.846 13.424 8.938 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.172 12.076 8.287 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.529 13.038 6.833 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.583 13.800 8.440 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.774 12.236 10.865 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.989 11.280 9.380 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.366 12.168 10.073 1.00 0.00 H new ATOM 415 N SER A 32 6.646 14.060 4.886 1.00 0.00 N ATOM 416 CA SER A 32 6.699 13.865 3.441 1.00 0.00 C ATOM 417 C SER A 32 5.301 13.649 2.871 1.00 0.00 C ATOM 418 O SER A 32 4.352 13.331 3.588 1.00 0.00 O ATOM 419 CB SER A 32 7.591 12.670 3.099 1.00 0.00 C ATOM 420 OG SER A 32 8.931 13.079 2.885 1.00 0.00 O ATOM 0 H SER A 32 5.805 13.692 5.331 1.00 0.00 H new ATOM 0 HA SER A 32 7.121 14.765 2.993 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.555 11.941 3.909 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.212 12.173 2.206 1.00 0.00 H new ATOM 0 HG SER A 32 9.150 13.815 3.494 1.00 0.00 H new ATOM 426 N PRO A 33 5.169 13.825 1.548 1.00 0.00 N ATOM 427 CA PRO A 33 3.891 13.655 0.850 1.00 0.00 C ATOM 428 C PRO A 33 3.448 12.197 0.799 1.00 0.00 C ATOM 429 O PRO A 33 4.229 11.296 0.489 1.00 0.00 O ATOM 430 CB PRO A 33 4.184 14.174 -0.559 1.00 0.00 C ATOM 431 CG PRO A 33 5.653 13.996 -0.731 1.00 0.00 C ATOM 432 CD PRO A 33 6.257 14.204 0.631 1.00 0.00 C ATOM 0 HA PRO A 33 3.079 14.181 1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.627 13.615 -1.311 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.897 15.220 -0.663 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.884 13.001 -1.113 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.052 14.713 -1.449 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.141 13.583 0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.566 15.239 0.780 1.00 0.00 H new ATOM 440 N PRO A 34 2.166 11.955 1.109 1.00 0.00 N ATOM 441 CA PRO A 34 1.590 10.607 1.105 1.00 0.00 C ATOM 442 C PRO A 34 1.458 10.038 -0.304 1.00 0.00 C ATOM 443 O PRO A 34 0.830 10.645 -1.172 1.00 0.00 O ATOM 444 CB PRO A 34 0.208 10.809 1.731 1.00 0.00 C ATOM 445 CG PRO A 34 -0.127 12.235 1.458 1.00 0.00 C ATOM 446 CD PRO A 34 1.178 12.980 1.488 1.00 0.00 C ATOM 0 HA PRO A 34 2.216 9.895 1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.529 10.138 1.289 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.225 10.604 2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.616 12.343 0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.816 12.624 2.208 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.179 13.817 0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.384 13.390 2.477 1.00 0.00 H new ATOM 454 N ILE A 35 2.053 8.870 -0.523 1.00 0.00 N ATOM 455 CA ILE A 35 2.000 8.219 -1.826 1.00 0.00 C ATOM 456 C ILE A 35 0.751 7.356 -1.959 1.00 0.00 C ATOM 457 O ILE A 35 0.272 7.103 -3.065 1.00 0.00 O ATOM 458 CB ILE A 35 3.244 7.344 -2.069 1.00 0.00 C ATOM 459 CG1 ILE A 35 4.500 8.049 -1.552 1.00 0.00 C ATOM 460 CG2 ILE A 35 3.383 7.020 -3.549 1.00 0.00 C ATOM 461 CD1 ILE A 35 4.836 7.710 -0.117 1.00 0.00 C ATOM 0 H ILE A 35 2.577 8.356 0.185 1.00 0.00 H new ATOM 0 HA ILE A 35 1.972 9.012 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 35 3.124 6.409 -1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.344 7.781 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.364 9.127 -1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.267 6.401 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.498 6.481 -3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.484 7.945 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.737 8.245 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.009 8.003 0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.004 6.637 -0.027 1.00 0.00 H new ATOM 473 N PHE A 36 0.226 6.906 -0.824 1.00 0.00 N ATOM 474 CA PHE A 36 -0.970 6.071 -0.812 1.00 0.00 C ATOM 475 C PHE A 36 -1.992 6.598 0.190 1.00 0.00 C ATOM 476 O PHE A 36 -1.942 6.270 1.375 1.00 0.00 O ATOM 477 CB PHE A 36 -0.604 4.625 -0.472 1.00 0.00 C ATOM 478 CG PHE A 36 0.559 4.098 -1.264 1.00 0.00 C ATOM 479 CD1 PHE A 36 0.637 4.313 -2.630 1.00 0.00 C ATOM 480 CD2 PHE A 36 1.573 3.389 -0.641 1.00 0.00 C ATOM 481 CE1 PHE A 36 1.705 3.828 -3.361 1.00 0.00 C ATOM 482 CE2 PHE A 36 2.644 2.902 -1.367 1.00 0.00 C ATOM 483 CZ PHE A 36 2.711 3.123 -2.729 1.00 0.00 C ATOM 0 H PHE A 36 0.610 7.106 0.100 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.414 6.102 -1.807 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.370 4.558 0.590 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.471 3.988 -0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.145 4.866 -3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.526 3.215 0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.753 4.000 -4.426 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.427 2.349 -0.870 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.548 2.746 -3.298 1.00 0.00 H new ATOM 493 N ARG A 37 -2.918 7.419 -0.295 1.00 0.00 N ATOM 494 CA ARG A 37 -3.952 7.994 0.557 1.00 0.00 C ATOM 495 C ARG A 37 -4.739 6.899 1.271 1.00 0.00 C ATOM 496 O ARG A 37 -4.889 5.791 0.755 1.00 0.00 O ATOM 497 CB ARG A 37 -4.901 8.862 -0.270 1.00 0.00 C ATOM 498 CG ARG A 37 -4.395 10.278 -0.491 1.00 0.00 C ATOM 499 CD ARG A 37 -4.434 11.090 0.795 1.00 0.00 C ATOM 500 NE ARG A 37 -5.702 11.795 0.959 1.00 0.00 N ATOM 501 CZ ARG A 37 -6.755 11.278 1.582 1.00 0.00 C ATOM 502 NH1 ARG A 37 -6.691 10.058 2.097 1.00 0.00 N ATOM 503 NH2 ARG A 37 -7.875 11.982 1.691 1.00 0.00 N ATOM 0 H ARG A 37 -2.973 7.701 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.464 8.616 1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.063 8.388 -1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.869 8.905 0.230 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.374 10.246 -0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.003 10.769 -1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.274 10.428 1.646 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.616 11.811 0.794 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.784 12.736 0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.832 9.514 2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.501 9.663 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.928 12.921 1.296 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.683 11.584 2.170 1.00 0.00 H new ATOM 517 N ARG A 38 -5.240 7.216 2.460 1.00 0.00 N ATOM 518 CA ARG A 38 -6.010 6.259 3.246 1.00 0.00 C ATOM 519 C ARG A 38 -7.120 5.634 2.405 1.00 0.00 C ATOM 520 O ARG A 38 -7.674 6.277 1.514 1.00 0.00 O ATOM 521 CB ARG A 38 -6.611 6.943 4.475 1.00 0.00 C ATOM 522 CG ARG A 38 -7.165 5.969 5.503 1.00 0.00 C ATOM 523 CD ARG A 38 -7.812 6.699 6.669 1.00 0.00 C ATOM 524 NE ARG A 38 -9.228 6.968 6.429 1.00 0.00 N ATOM 525 CZ ARG A 38 -10.190 6.076 6.635 1.00 0.00 C ATOM 526 NH1 ARG A 38 -9.891 4.864 7.082 1.00 0.00 N ATOM 527 NH2 ARG A 38 -11.455 6.395 6.393 1.00 0.00 N ATOM 0 H ARG A 38 -5.127 8.129 2.901 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.335 5.468 3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.847 7.561 4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.409 7.613 4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.898 5.316 5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.362 5.332 5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.705 6.102 7.575 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.289 7.639 6.843 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.492 7.891 6.085 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.920 4.615 7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.632 4.181 7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.689 7.326 6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.193 5.709 6.552 1.00 0.00 H new ATOM 541 N GLY A 39 -7.438 4.376 2.695 1.00 0.00 N ATOM 542 CA GLY A 39 -8.479 3.686 1.956 1.00 0.00 C ATOM 543 C GLY A 39 -7.991 3.162 0.620 1.00 0.00 C ATOM 544 O GLY A 39 -8.623 2.293 0.020 1.00 0.00 O ATOM 0 H GLY A 39 -6.994 3.823 3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.855 2.855 2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.316 4.365 1.793 1.00 0.00 H new ATOM 548 N GLU A 40 -6.866 3.693 0.152 1.00 0.00 N ATOM 549 CA GLU A 40 -6.297 3.275 -1.123 1.00 0.00 C ATOM 550 C GLU A 40 -5.787 1.839 -1.047 1.00 0.00 C ATOM 551 O GLU A 40 -5.177 1.436 -0.057 1.00 0.00 O ATOM 552 CB GLU A 40 -5.157 4.211 -1.530 1.00 0.00 C ATOM 553 CG GLU A 40 -4.813 4.145 -3.008 1.00 0.00 C ATOM 554 CD GLU A 40 -6.044 4.066 -3.890 1.00 0.00 C ATOM 555 OE1 GLU A 40 -7.049 4.734 -3.567 1.00 0.00 O ATOM 556 OE2 GLU A 40 -6.002 3.337 -4.903 1.00 0.00 O ATOM 0 H GLU A 40 -6.331 4.413 0.637 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.084 3.324 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.430 5.235 -1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.269 3.963 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.231 5.025 -3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.182 3.275 -3.192 1.00 0.00 H new ATOM 563 N LYS A 41 -6.043 1.070 -2.100 1.00 0.00 N ATOM 564 CA LYS A 41 -5.611 -0.322 -2.155 1.00 0.00 C ATOM 565 C LYS A 41 -4.220 -0.435 -2.769 1.00 0.00 C ATOM 566 O LYS A 41 -3.878 0.299 -3.697 1.00 0.00 O ATOM 567 CB LYS A 41 -6.608 -1.155 -2.965 1.00 0.00 C ATOM 568 CG LYS A 41 -6.499 -2.648 -2.711 1.00 0.00 C ATOM 569 CD LYS A 41 -7.732 -3.388 -3.202 1.00 0.00 C ATOM 570 CE LYS A 41 -8.868 -3.310 -2.194 1.00 0.00 C ATOM 571 NZ LYS A 41 -9.579 -2.003 -2.260 1.00 0.00 N ATOM 0 H LYS A 41 -6.548 1.387 -2.928 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.571 -0.705 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.620 -0.827 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.452 -0.963 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.614 -3.040 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.366 -2.828 -1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.058 -2.964 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.481 -4.432 -3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.575 -4.118 -2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.473 -3.458 -1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.585 -2.143 -2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.160 -1.345 -1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.489 -1.607 -3.217 1.00 0.00 H new ATOM 585 N LEU A 42 -3.422 -1.360 -2.248 1.00 0.00 N ATOM 586 CA LEU A 42 -2.067 -1.572 -2.746 1.00 0.00 C ATOM 587 C LEU A 42 -1.738 -3.059 -2.815 1.00 0.00 C ATOM 588 O LEU A 42 -2.140 -3.835 -1.948 1.00 0.00 O ATOM 589 CB LEU A 42 -1.055 -0.855 -1.850 1.00 0.00 C ATOM 590 CG LEU A 42 -1.547 0.424 -1.172 1.00 0.00 C ATOM 591 CD1 LEU A 42 -0.638 0.797 -0.011 1.00 0.00 C ATOM 592 CD2 LEU A 42 -1.628 1.564 -2.176 1.00 0.00 C ATOM 0 H LEU A 42 -3.690 -1.976 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.008 -1.159 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.728 -1.550 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.178 -0.610 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.547 0.241 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.004 1.710 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.632 -0.011 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.375 0.960 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.980 2.466 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.640 1.746 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.322 1.298 -2.974 1.00 0.00 H new ATOM 604 N ARG A 43 -1.004 -3.450 -3.852 1.00 0.00 N ATOM 605 CA ARG A 43 -0.620 -4.845 -4.033 1.00 0.00 C ATOM 606 C ARG A 43 0.772 -5.104 -3.463 1.00 0.00 C ATOM 607 O ARG A 43 1.712 -4.355 -3.728 1.00 0.00 O ATOM 608 CB ARG A 43 -0.652 -5.216 -5.517 1.00 0.00 C ATOM 609 CG ARG A 43 -0.267 -6.660 -5.792 1.00 0.00 C ATOM 610 CD ARG A 43 -0.727 -7.106 -7.172 1.00 0.00 C ATOM 611 NE ARG A 43 0.121 -8.163 -7.716 1.00 0.00 N ATOM 612 CZ ARG A 43 -0.262 -8.987 -8.685 1.00 0.00 C ATOM 613 NH1 ARG A 43 -1.473 -8.877 -9.212 1.00 0.00 N ATOM 614 NH2 ARG A 43 0.567 -9.924 -9.127 1.00 0.00 N ATOM 0 H ARG A 43 -0.664 -2.821 -4.579 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.336 -5.466 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.654 -5.036 -5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.025 -4.558 -6.062 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.815 -6.770 -5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.709 -7.306 -5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.756 -7.461 -7.114 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.722 -6.252 -7.849 1.00 0.00 H new ATOM 0 HE ARG A 43 1.059 -8.275 -7.331 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.113 -8.159 -8.874 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.765 -9.511 -9.956 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.499 -10.012 -8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.272 -10.556 -9.871 1.00 0.00 H new ATOM 628 N VAL A 44 0.895 -6.170 -2.679 1.00 0.00 N ATOM 629 CA VAL A 44 2.171 -6.529 -2.071 1.00 0.00 C ATOM 630 C VAL A 44 3.174 -6.983 -3.127 1.00 0.00 C ATOM 631 O VAL A 44 3.002 -8.031 -3.750 1.00 0.00 O ATOM 632 CB VAL A 44 2.000 -7.648 -1.027 1.00 0.00 C ATOM 633 CG1 VAL A 44 3.352 -8.076 -0.477 1.00 0.00 C ATOM 634 CG2 VAL A 44 1.079 -7.193 0.095 1.00 0.00 C ATOM 0 H VAL A 44 0.127 -6.800 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 44 2.549 -5.635 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 44 1.543 -8.509 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.211 -8.867 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.976 -8.445 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.839 -7.223 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.969 -7.996 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.505 -6.316 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.102 -6.940 -0.316 1.00 0.00 H new ATOM 644 N ILE A 45 4.220 -6.188 -3.321 1.00 0.00 N ATOM 645 CA ILE A 45 5.251 -6.509 -4.300 1.00 0.00 C ATOM 646 C ILE A 45 6.382 -7.312 -3.664 1.00 0.00 C ATOM 647 O ILE A 45 6.742 -8.385 -4.147 1.00 0.00 O ATOM 648 CB ILE A 45 5.837 -5.236 -4.938 1.00 0.00 C ATOM 649 CG1 ILE A 45 4.990 -4.804 -6.137 1.00 0.00 C ATOM 650 CG2 ILE A 45 7.280 -5.470 -5.360 1.00 0.00 C ATOM 651 CD1 ILE A 45 3.884 -3.837 -5.778 1.00 0.00 C ATOM 0 H ILE A 45 4.376 -5.317 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 45 4.774 -7.108 -5.076 1.00 0.00 H new ATOM 0 HB ILE A 45 5.821 -4.436 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.638 -4.342 -6.882 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.552 -5.688 -6.600 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.680 -4.561 -5.809 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.876 -5.736 -4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.320 -6.281 -6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.325 -3.574 -6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.213 -4.303 -5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.316 -2.936 -5.343 1.00 0.00 H new ATOM 663 N SER A 46 6.936 -6.784 -2.577 1.00 0.00 N ATOM 664 CA SER A 46 8.027 -7.451 -1.876 1.00 0.00 C ATOM 665 C SER A 46 7.828 -7.376 -0.365 1.00 0.00 C ATOM 666 O SER A 46 7.351 -6.370 0.160 1.00 0.00 O ATOM 667 CB SER A 46 9.368 -6.819 -2.257 1.00 0.00 C ATOM 668 OG SER A 46 9.558 -6.835 -3.661 1.00 0.00 O ATOM 0 H SER A 46 6.648 -5.897 -2.163 1.00 0.00 H new ATOM 0 HA SER A 46 8.030 -8.500 -2.173 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.406 -5.792 -1.893 1.00 0.00 H new ATOM 0 HB3 SER A 46 10.180 -7.360 -1.771 1.00 0.00 H new ATOM 0 HG SER A 46 10.421 -6.425 -3.879 1.00 0.00 H new ATOM 674 N ASP A 47 8.197 -8.448 0.327 1.00 0.00 N ATOM 675 CA ASP A 47 8.060 -8.505 1.778 1.00 0.00 C ATOM 676 C ASP A 47 9.428 -8.492 2.454 1.00 0.00 C ATOM 677 O ASP A 47 10.216 -9.423 2.296 1.00 0.00 O ATOM 678 CB ASP A 47 7.286 -9.758 2.190 1.00 0.00 C ATOM 679 CG ASP A 47 7.611 -10.953 1.316 1.00 0.00 C ATOM 680 OD1 ASP A 47 8.805 -11.301 1.208 1.00 0.00 O ATOM 681 OD2 ASP A 47 6.671 -11.540 0.739 1.00 0.00 O ATOM 0 H ASP A 47 8.593 -9.289 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 47 7.507 -7.623 2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.515 -9.998 3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.216 -9.554 2.139 1.00 0.00 H new ATOM 686 N GLU A 48 9.701 -7.430 3.205 1.00 0.00 N ATOM 687 CA GLU A 48 10.975 -7.297 3.903 1.00 0.00 C ATOM 688 C GLU A 48 10.756 -7.027 5.388 1.00 0.00 C ATOM 689 O GLU A 48 10.733 -5.877 5.825 1.00 0.00 O ATOM 690 CB GLU A 48 11.804 -6.168 3.285 1.00 0.00 C ATOM 691 CG GLU A 48 12.121 -6.381 1.814 1.00 0.00 C ATOM 692 CD GLU A 48 13.229 -7.393 1.597 1.00 0.00 C ATOM 693 OE1 GLU A 48 12.947 -8.607 1.667 1.00 0.00 O ATOM 694 OE2 GLU A 48 14.380 -6.969 1.356 1.00 0.00 O ATOM 0 H GLU A 48 9.059 -6.650 3.346 1.00 0.00 H new ATOM 0 HA GLU A 48 11.518 -8.237 3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.264 -5.228 3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.738 -6.069 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.222 -6.716 1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.410 -5.430 1.367 1.00 0.00 H new ATOM 701 N GLY A 49 10.594 -8.097 6.161 1.00 0.00 N ATOM 702 CA GLY A 49 10.378 -7.955 7.589 1.00 0.00 C ATOM 703 C GLY A 49 9.130 -7.157 7.910 1.00 0.00 C ATOM 704 O GLY A 49 8.038 -7.487 7.448 1.00 0.00 O ATOM 0 H GLY A 49 10.609 -9.059 5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.300 -8.944 8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.243 -7.467 8.037 1.00 0.00 H new ATOM 708 N GLY A 50 9.290 -6.105 8.706 1.00 0.00 N ATOM 709 CA GLY A 50 8.159 -5.275 9.077 1.00 0.00 C ATOM 710 C GLY A 50 7.767 -4.305 7.980 1.00 0.00 C ATOM 711 O GLY A 50 6.651 -3.785 7.972 1.00 0.00 O ATOM 0 H GLY A 50 10.184 -5.812 9.101 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.307 -5.912 9.316 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.403 -4.717 9.981 1.00 0.00 H new ATOM 715 N TRP A 51 8.686 -4.061 7.053 1.00 0.00 N ATOM 716 CA TRP A 51 8.430 -3.145 5.947 1.00 0.00 C ATOM 717 C TRP A 51 8.396 -3.893 4.618 1.00 0.00 C ATOM 718 O TRP A 51 9.283 -4.693 4.323 1.00 0.00 O ATOM 719 CB TRP A 51 9.501 -2.054 5.904 1.00 0.00 C ATOM 720 CG TRP A 51 9.290 -0.975 6.923 1.00 0.00 C ATOM 721 CD1 TRP A 51 9.380 -1.099 8.280 1.00 0.00 C ATOM 722 CD2 TRP A 51 8.951 0.392 6.665 1.00 0.00 C ATOM 723 NE1 TRP A 51 9.118 0.108 8.881 1.00 0.00 N ATOM 724 CE2 TRP A 51 8.852 1.039 7.913 1.00 0.00 C ATOM 725 CE3 TRP A 51 8.723 1.134 5.503 1.00 0.00 C ATOM 726 CZ2 TRP A 51 8.535 2.390 8.027 1.00 0.00 C ATOM 727 CZ3 TRP A 51 8.408 2.474 5.618 1.00 0.00 C ATOM 728 CH2 TRP A 51 8.317 3.091 6.873 1.00 0.00 C ATOM 0 H TRP A 51 9.614 -4.484 7.045 1.00 0.00 H new ATOM 0 HA TRP A 51 7.456 -2.683 6.108 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.479 -2.508 6.063 1.00 0.00 H new ATOM 0 HB3 TRP A 51 9.515 -1.607 4.910 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.622 -2.012 8.804 1.00 0.00 H new ATOM 0 HE1 TRP A 51 9.121 0.283 9.886 1.00 0.00 H new ATOM 0 HE3 TRP A 51 8.792 0.668 4.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 8.464 2.868 8.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 8.229 3.056 4.726 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.070 4.141 6.930 1.00 0.00 H new ATOM 739 N TRP A 52 7.367 -3.626 3.821 1.00 0.00 N ATOM 740 CA TRP A 52 7.219 -4.274 2.523 1.00 0.00 C ATOM 741 C TRP A 52 6.912 -3.251 1.436 1.00 0.00 C ATOM 742 O TRP A 52 6.539 -2.114 1.726 1.00 0.00 O ATOM 743 CB TRP A 52 6.108 -5.325 2.579 1.00 0.00 C ATOM 744 CG TRP A 52 4.885 -4.858 3.307 1.00 0.00 C ATOM 745 CD1 TRP A 52 4.514 -3.564 3.541 1.00 0.00 C ATOM 746 CD2 TRP A 52 3.872 -5.680 3.898 1.00 0.00 C ATOM 747 NE1 TRP A 52 3.332 -3.533 4.242 1.00 0.00 N ATOM 748 CE2 TRP A 52 2.917 -4.818 4.472 1.00 0.00 C ATOM 749 CE3 TRP A 52 3.679 -7.061 3.996 1.00 0.00 C ATOM 750 CZ2 TRP A 52 1.789 -5.294 5.134 1.00 0.00 C ATOM 751 CZ3 TRP A 52 2.558 -7.531 4.654 1.00 0.00 C ATOM 752 CH2 TRP A 52 1.624 -6.650 5.215 1.00 0.00 C ATOM 0 H TRP A 52 6.624 -2.966 4.051 1.00 0.00 H new ATOM 0 HA TRP A 52 8.162 -4.764 2.279 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.832 -5.606 1.563 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.491 -6.222 3.065 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.068 -2.693 3.222 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.843 -2.690 4.542 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.393 -7.748 3.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.069 -4.617 5.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.399 -8.596 4.737 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.757 -7.049 5.721 1.00 0.00 H new ATOM 763 N LYS A 53 7.072 -3.660 0.182 1.00 0.00 N ATOM 764 CA LYS A 53 6.812 -2.780 -0.951 1.00 0.00 C ATOM 765 C LYS A 53 5.442 -3.065 -1.558 1.00 0.00 C ATOM 766 O LYS A 53 5.002 -4.214 -1.609 1.00 0.00 O ATOM 767 CB LYS A 53 7.898 -2.948 -2.015 1.00 0.00 C ATOM 768 CG LYS A 53 8.000 -1.772 -2.971 1.00 0.00 C ATOM 769 CD LYS A 53 8.477 -2.211 -4.346 1.00 0.00 C ATOM 770 CE LYS A 53 8.308 -1.103 -5.374 1.00 0.00 C ATOM 771 NZ LYS A 53 9.516 -0.237 -5.459 1.00 0.00 N ATOM 0 H LYS A 53 7.381 -4.597 -0.076 1.00 0.00 H new ATOM 0 HA LYS A 53 6.823 -1.752 -0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.860 -3.089 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.698 -3.854 -2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.027 -1.288 -3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.689 -1.031 -2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.526 -2.502 -4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.917 -3.091 -4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.106 -1.542 -6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.442 -0.494 -5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.241 0.757 -5.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.193 -0.512 -4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.959 -0.350 -6.393 1.00 0.00 H new ATOM 785 N ALA A 54 4.773 -2.014 -2.019 1.00 0.00 N ATOM 786 CA ALA A 54 3.455 -2.153 -2.626 1.00 0.00 C ATOM 787 C ALA A 54 3.210 -1.060 -3.661 1.00 0.00 C ATOM 788 O ALA A 54 3.873 -0.023 -3.652 1.00 0.00 O ATOM 789 CB ALA A 54 2.375 -2.120 -1.555 1.00 0.00 C ATOM 0 H ALA A 54 5.122 -1.056 -1.984 1.00 0.00 H new ATOM 0 HA ALA A 54 3.416 -3.116 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.396 -2.225 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.532 -2.940 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.422 -1.172 -1.020 1.00 0.00 H new ATOM 795 N ILE A 55 2.253 -1.300 -4.552 1.00 0.00 N ATOM 796 CA ILE A 55 1.921 -0.336 -5.594 1.00 0.00 C ATOM 797 C ILE A 55 0.418 -0.086 -5.651 1.00 0.00 C ATOM 798 O ILE A 55 -0.382 -1.013 -5.522 1.00 0.00 O ATOM 799 CB ILE A 55 2.404 -0.812 -6.976 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.191 0.286 -8.021 1.00 0.00 C ATOM 801 CG2 ILE A 55 1.677 -2.085 -7.383 1.00 0.00 C ATOM 802 CD1 ILE A 55 2.854 -0.006 -9.349 1.00 0.00 C ATOM 0 H ILE A 55 1.694 -2.153 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 55 2.432 0.593 -5.340 1.00 0.00 H new ATOM 0 HB ILE A 55 3.470 -1.029 -6.916 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.121 0.422 -8.180 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.577 1.228 -7.631 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.030 -2.408 -8.362 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.874 -2.867 -6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.605 -1.893 -7.429 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.661 0.814 -10.040 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.929 -0.113 -9.203 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.450 -0.931 -9.762 1.00 0.00 H new ATOM 814 N SER A 56 0.040 1.174 -5.848 1.00 0.00 N ATOM 815 CA SER A 56 -1.367 1.547 -5.921 1.00 0.00 C ATOM 816 C SER A 56 -1.989 1.068 -7.230 1.00 0.00 C ATOM 817 O SER A 56 -1.452 1.311 -8.311 1.00 0.00 O ATOM 818 CB SER A 56 -1.522 3.064 -5.795 1.00 0.00 C ATOM 819 OG SER A 56 -1.370 3.482 -4.450 1.00 0.00 O ATOM 0 H SER A 56 0.689 1.953 -5.960 1.00 0.00 H new ATOM 0 HA SER A 56 -1.888 1.066 -5.093 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.780 3.562 -6.420 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.503 3.364 -6.164 1.00 0.00 H new ATOM 0 HG SER A 56 -0.428 3.411 -4.190 1.00 0.00 H new ATOM 825 N LEU A 57 -3.124 0.386 -7.123 1.00 0.00 N ATOM 826 CA LEU A 57 -3.821 -0.129 -8.297 1.00 0.00 C ATOM 827 C LEU A 57 -4.616 0.976 -8.985 1.00 0.00 C ATOM 828 O LEU A 57 -5.354 0.722 -9.937 1.00 0.00 O ATOM 829 CB LEU A 57 -4.755 -1.273 -7.899 1.00 0.00 C ATOM 830 CG LEU A 57 -4.172 -2.314 -6.943 1.00 0.00 C ATOM 831 CD1 LEU A 57 -5.279 -2.987 -6.147 1.00 0.00 C ATOM 832 CD2 LEU A 57 -3.360 -3.347 -7.710 1.00 0.00 C ATOM 0 H LEU A 57 -3.581 0.177 -6.236 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.075 -0.505 -8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.646 -0.845 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.079 -1.783 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.508 -1.806 -6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.845 -3.725 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.818 -2.237 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.969 -3.482 -6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.953 -4.080 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.002 -3.851 -8.433 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.543 -2.851 -8.234 1.00 0.00 H new ATOM 844 N SER A 58 -4.458 2.203 -8.499 1.00 0.00 N ATOM 845 CA SER A 58 -5.162 3.347 -9.067 1.00 0.00 C ATOM 846 C SER A 58 -4.212 4.219 -9.882 1.00 0.00 C ATOM 847 O SER A 58 -4.491 4.554 -11.034 1.00 0.00 O ATOM 848 CB SER A 58 -5.809 4.177 -7.957 1.00 0.00 C ATOM 849 OG SER A 58 -6.552 5.257 -8.494 1.00 0.00 O ATOM 0 H SER A 58 -3.849 2.431 -7.713 1.00 0.00 H new ATOM 0 HA SER A 58 -5.941 2.971 -9.730 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.464 3.543 -7.359 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.038 4.559 -7.288 1.00 0.00 H new ATOM 0 HG SER A 58 -6.957 5.771 -7.764 1.00 0.00 H new ATOM 855 N THR A 59 -3.087 4.585 -9.276 1.00 0.00 N ATOM 856 CA THR A 59 -2.096 5.419 -9.943 1.00 0.00 C ATOM 857 C THR A 59 -0.951 4.578 -10.497 1.00 0.00 C ATOM 858 O THR A 59 -0.511 4.778 -11.628 1.00 0.00 O ATOM 859 CB THR A 59 -1.521 6.482 -8.988 1.00 0.00 C ATOM 860 OG1 THR A 59 -0.771 5.849 -7.945 1.00 0.00 O ATOM 861 CG2 THR A 59 -2.633 7.322 -8.380 1.00 0.00 C ATOM 0 H THR A 59 -2.840 4.316 -8.324 1.00 0.00 H new ATOM 0 HA THR A 59 -2.607 5.919 -10.766 1.00 0.00 H new ATOM 0 HB THR A 59 -0.865 7.137 -9.562 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.407 6.532 -7.343 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.202 8.065 -7.709 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.184 7.826 -9.174 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.311 6.678 -7.820 1.00 0.00 H new ATOM 869 N GLY A 60 -0.474 3.633 -9.692 1.00 0.00 N ATOM 870 CA GLY A 60 0.615 2.775 -10.119 1.00 0.00 C ATOM 871 C GLY A 60 1.950 3.201 -9.542 1.00 0.00 C ATOM 872 O GLY A 60 3.000 2.943 -10.132 1.00 0.00 O ATOM 0 H GLY A 60 -0.823 3.447 -8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.404 1.749 -9.819 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.674 2.783 -11.207 1.00 0.00 H new ATOM 876 N ARG A 61 1.912 3.855 -8.386 1.00 0.00 N ATOM 877 CA ARG A 61 3.128 4.321 -7.731 1.00 0.00 C ATOM 878 C ARG A 61 3.728 3.224 -6.856 1.00 0.00 C ATOM 879 O ARG A 61 3.040 2.636 -6.022 1.00 0.00 O ATOM 880 CB ARG A 61 2.834 5.560 -6.883 1.00 0.00 C ATOM 881 CG ARG A 61 2.775 6.848 -7.688 1.00 0.00 C ATOM 882 CD ARG A 61 2.955 8.069 -6.799 1.00 0.00 C ATOM 883 NE ARG A 61 3.064 9.300 -7.576 1.00 0.00 N ATOM 884 CZ ARG A 61 2.937 10.514 -7.051 1.00 0.00 C ATOM 885 NH1 ARG A 61 2.698 10.658 -5.755 1.00 0.00 N ATOM 886 NH2 ARG A 61 3.050 11.587 -7.824 1.00 0.00 N ATOM 0 H ARG A 61 1.052 4.074 -7.883 1.00 0.00 H new ATOM 0 HA ARG A 61 3.850 4.582 -8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.884 5.420 -6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.602 5.656 -6.116 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.551 6.836 -8.453 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.818 6.911 -8.206 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.111 8.146 -6.114 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.850 7.945 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 61 3.248 9.224 -8.576 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.611 9.836 -5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.601 11.591 -5.355 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.234 11.480 -8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.952 12.519 -7.421 1.00 0.00 H new ATOM 900 N GLU A 62 5.015 2.954 -7.054 1.00 0.00 N ATOM 901 CA GLU A 62 5.706 1.926 -6.284 1.00 0.00 C ATOM 902 C GLU A 62 6.487 2.546 -5.128 1.00 0.00 C ATOM 903 O GLU A 62 7.408 3.335 -5.339 1.00 0.00 O ATOM 904 CB GLU A 62 6.653 1.132 -7.186 1.00 0.00 C ATOM 905 CG GLU A 62 6.012 -0.093 -7.814 1.00 0.00 C ATOM 906 CD GLU A 62 6.732 -0.553 -9.066 1.00 0.00 C ATOM 907 OE1 GLU A 62 7.980 -0.500 -9.086 1.00 0.00 O ATOM 908 OE2 GLU A 62 6.048 -0.965 -10.026 1.00 0.00 O ATOM 0 H GLU A 62 5.599 3.432 -7.740 1.00 0.00 H new ATOM 0 HA GLU A 62 4.956 1.250 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.020 1.785 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.519 0.820 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.001 -0.905 -7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.973 0.130 -8.058 1.00 0.00 H new ATOM 915 N SER A 63 6.110 2.183 -3.906 1.00 0.00 N ATOM 916 CA SER A 63 6.771 2.705 -2.716 1.00 0.00 C ATOM 917 C SER A 63 6.782 1.666 -1.600 1.00 0.00 C ATOM 918 O SER A 63 6.113 0.635 -1.689 1.00 0.00 O ATOM 919 CB SER A 63 6.072 3.979 -2.236 1.00 0.00 C ATOM 920 OG SER A 63 6.906 4.721 -1.364 1.00 0.00 O ATOM 0 H SER A 63 5.350 1.530 -3.714 1.00 0.00 H new ATOM 0 HA SER A 63 7.802 2.941 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.800 4.593 -3.094 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.146 3.718 -1.724 1.00 0.00 H new ATOM 0 HG SER A 63 6.507 5.601 -1.200 1.00 0.00 H new ATOM 926 N TYR A 64 7.544 1.944 -0.548 1.00 0.00 N ATOM 927 CA TYR A 64 7.645 1.032 0.585 1.00 0.00 C ATOM 928 C TYR A 64 7.012 1.642 1.832 1.00 0.00 C ATOM 929 O TYR A 64 7.491 2.648 2.356 1.00 0.00 O ATOM 930 CB TYR A 64 9.109 0.686 0.861 1.00 0.00 C ATOM 931 CG TYR A 64 9.884 0.303 -0.380 1.00 0.00 C ATOM 932 CD1 TYR A 64 10.310 1.270 -1.283 1.00 0.00 C ATOM 933 CD2 TYR A 64 10.190 -1.025 -0.650 1.00 0.00 C ATOM 934 CE1 TYR A 64 11.018 0.924 -2.418 1.00 0.00 C ATOM 935 CE2 TYR A 64 10.898 -1.379 -1.781 1.00 0.00 C ATOM 936 CZ TYR A 64 11.310 -0.401 -2.663 1.00 0.00 C ATOM 937 OH TYR A 64 12.014 -0.750 -3.792 1.00 0.00 O ATOM 0 H TYR A 64 8.101 2.794 -0.456 1.00 0.00 H new ATOM 0 HA TYR A 64 7.105 0.119 0.333 1.00 0.00 H new ATOM 0 HB2 TYR A 64 9.593 1.541 1.332 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.151 -0.137 1.574 1.00 0.00 H new ATOM 0 HD1 TYR A 64 10.084 2.309 -1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.868 -1.794 0.037 1.00 0.00 H new ATOM 0 HE1 TYR A 64 11.341 1.688 -3.110 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.128 -2.416 -1.975 1.00 0.00 H new ATOM 0 HH TYR A 64 12.136 -1.722 -3.814 1.00 0.00 H new ATOM 947 N ILE A 65 5.933 1.026 2.302 1.00 0.00 N ATOM 948 CA ILE A 65 5.235 1.506 3.488 1.00 0.00 C ATOM 949 C ILE A 65 5.163 0.423 4.560 1.00 0.00 C ATOM 950 O ILE A 65 5.140 -0.773 4.269 1.00 0.00 O ATOM 951 CB ILE A 65 3.807 1.973 3.150 1.00 0.00 C ATOM 952 CG1 ILE A 65 2.953 0.788 2.693 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.842 3.051 2.077 1.00 0.00 C ATOM 954 CD1 ILE A 65 3.359 0.235 1.345 1.00 0.00 C ATOM 0 H ILE A 65 5.523 0.193 1.879 1.00 0.00 H new ATOM 0 HA ILE A 65 5.805 2.353 3.868 1.00 0.00 H new ATOM 0 HB ILE A 65 3.358 2.396 4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.019 -0.006 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.909 1.098 2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.825 3.371 1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.418 3.903 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.308 2.652 1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.711 -0.602 1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.266 1.015 0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.393 -0.106 1.388 1.00 0.00 H new ATOM 966 N PRO A 66 5.125 0.851 5.831 1.00 0.00 N ATOM 967 CA PRO A 66 5.053 -0.066 6.972 1.00 0.00 C ATOM 968 C PRO A 66 3.703 -0.770 7.066 1.00 0.00 C ATOM 969 O PRO A 66 2.655 -0.147 6.905 1.00 0.00 O ATOM 970 CB PRO A 66 5.262 0.852 8.179 1.00 0.00 C ATOM 971 CG PRO A 66 4.812 2.195 7.715 1.00 0.00 C ATOM 972 CD PRO A 66 5.150 2.261 6.251 1.00 0.00 C ATOM 0 HA PRO A 66 5.787 -0.868 6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.682 0.515 9.038 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.307 0.869 8.487 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.742 2.325 7.875 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.315 2.988 8.268 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.425 2.858 5.698 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.128 2.713 6.084 1.00 0.00 H new ATOM 980 N GLY A 67 3.738 -2.074 7.327 1.00 0.00 N ATOM 981 CA GLY A 67 2.510 -2.840 7.438 1.00 0.00 C ATOM 982 C GLY A 67 1.494 -2.180 8.348 1.00 0.00 C ATOM 983 O GLY A 67 0.292 -2.231 8.088 1.00 0.00 O ATOM 0 H GLY A 67 4.593 -2.613 7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.075 -2.969 6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.740 -3.836 7.817 1.00 0.00 H new ATOM 987 N ILE A 68 1.977 -1.560 9.419 1.00 0.00 N ATOM 988 CA ILE A 68 1.102 -0.888 10.372 1.00 0.00 C ATOM 989 C ILE A 68 0.302 0.220 9.695 1.00 0.00 C ATOM 990 O ILE A 68 -0.790 0.574 10.143 1.00 0.00 O ATOM 991 CB ILE A 68 1.901 -0.287 11.544 1.00 0.00 C ATOM 992 CG1 ILE A 68 0.950 0.235 12.623 1.00 0.00 C ATOM 993 CG2 ILE A 68 2.811 0.827 11.048 1.00 0.00 C ATOM 994 CD1 ILE A 68 1.546 0.218 14.013 1.00 0.00 C ATOM 0 H ILE A 68 2.969 -1.509 9.649 1.00 0.00 H new ATOM 0 HA ILE A 68 0.418 -1.643 10.760 1.00 0.00 H new ATOM 0 HB ILE A 68 2.522 -1.069 11.981 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.657 1.255 12.375 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.042 -0.368 12.618 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.369 1.242 11.887 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.508 0.427 10.311 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.209 1.611 10.589 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.816 0.601 14.726 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.814 -0.804 14.282 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.438 0.844 14.034 1.00 0.00 H new ATOM 1006 N CYS A 69 0.851 0.764 8.615 1.00 0.00 N ATOM 1007 CA CYS A 69 0.188 1.832 7.875 1.00 0.00 C ATOM 1008 C CYS A 69 -0.844 1.263 6.906 1.00 0.00 C ATOM 1009 O CYS A 69 -1.607 2.006 6.289 1.00 0.00 O ATOM 1010 CB CYS A 69 1.217 2.666 7.111 1.00 0.00 C ATOM 1011 SG CYS A 69 1.860 4.077 8.041 1.00 0.00 S ATOM 0 H CYS A 69 1.754 0.483 8.232 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.327 2.471 8.592 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.050 2.023 6.825 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.763 3.029 6.189 1.00 0.00 H new ATOM 0 HG CYS A 69 2.559 4.836 7.250 1.00 0.00 H new ATOM 1017 N VAL A 70 -0.860 -0.060 6.777 1.00 0.00 N ATOM 1018 CA VAL A 70 -1.797 -0.729 5.883 1.00 0.00 C ATOM 1019 C VAL A 70 -2.504 -1.881 6.589 1.00 0.00 C ATOM 1020 O VAL A 70 -2.071 -2.331 7.649 1.00 0.00 O ATOM 1021 CB VAL A 70 -1.087 -1.269 4.627 1.00 0.00 C ATOM 1022 CG1 VAL A 70 -0.526 -0.125 3.797 1.00 0.00 C ATOM 1023 CG2 VAL A 70 0.013 -2.245 5.016 1.00 0.00 C ATOM 0 H VAL A 70 -0.235 -0.689 7.280 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.534 0.016 5.583 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.818 -1.803 4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.028 -0.526 2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.338 0.533 3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.191 0.439 4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.504 -2.617 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.744 -1.737 5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.420 -3.081 5.565 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.593 -2.354 5.993 1.00 0.00 N ATOM 1034 CA ALA A 71 -4.359 -3.455 6.563 1.00 0.00 C ATOM 1035 C ALA A 71 -4.534 -4.583 5.552 1.00 0.00 C ATOM 1036 O ALA A 71 -4.882 -4.344 4.396 1.00 0.00 O ATOM 1037 CB ALA A 71 -5.714 -2.961 7.047 1.00 0.00 C ATOM 0 H ALA A 71 -3.965 -1.992 5.115 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.804 -3.849 7.414 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.275 -3.794 7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.571 -2.195 7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.268 -2.539 6.209 1.00 0.00 H new ATOM 1043 N ARG A 72 -4.291 -5.812 5.996 1.00 0.00 N ATOM 1044 CA ARG A 72 -4.421 -6.977 5.128 1.00 0.00 C ATOM 1045 C ARG A 72 -5.851 -7.116 4.615 1.00 0.00 C ATOM 1046 O ARG A 72 -6.721 -7.648 5.305 1.00 0.00 O ATOM 1047 CB ARG A 72 -4.012 -8.246 5.878 1.00 0.00 C ATOM 1048 CG ARG A 72 -3.509 -9.356 4.969 1.00 0.00 C ATOM 1049 CD ARG A 72 -2.004 -9.272 4.767 1.00 0.00 C ATOM 1050 NE ARG A 72 -1.436 -10.551 4.351 1.00 0.00 N ATOM 1051 CZ ARG A 72 -0.167 -10.890 4.548 1.00 0.00 C ATOM 1052 NH1 ARG A 72 0.661 -10.049 5.152 1.00 0.00 N ATOM 1053 NH2 ARG A 72 0.276 -12.073 4.140 1.00 0.00 N ATOM 0 H ARG A 72 -4.003 -6.027 6.951 1.00 0.00 H new ATOM 0 HA ARG A 72 -3.759 -6.838 4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.233 -7.997 6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.866 -8.613 6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.766 -10.324 5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.011 -9.293 4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.781 -8.515 4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.531 -8.950 5.695 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.047 -11.221 3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.324 -9.139 5.467 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.635 -10.312 5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.358 -12.722 3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.251 -12.333 4.292 1.00 0.00 H new ATOM 1067 N VAL A 73 -6.088 -6.633 3.399 1.00 0.00 N ATOM 1068 CA VAL A 73 -7.412 -6.704 2.792 1.00 0.00 C ATOM 1069 C VAL A 73 -7.726 -8.119 2.322 1.00 0.00 C ATOM 1070 O VAL A 73 -6.860 -8.815 1.791 1.00 0.00 O ATOM 1071 CB VAL A 73 -7.534 -5.739 1.598 1.00 0.00 C ATOM 1072 CG1 VAL A 73 -8.995 -5.525 1.232 1.00 0.00 C ATOM 1073 CG2 VAL A 73 -6.855 -4.414 1.912 1.00 0.00 C ATOM 0 H VAL A 73 -5.380 -6.188 2.815 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.128 -6.412 3.560 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.030 -6.185 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.062 -4.840 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -9.446 -6.480 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.525 -5.101 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.951 -3.744 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.328 -3.960 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.799 -4.587 2.121 1.00 0.00 H new ATOM 1083 N SER A 74 -8.971 -8.540 2.521 1.00 0.00 N ATOM 1084 CA SER A 74 -9.400 -9.875 2.120 1.00 0.00 C ATOM 1085 C SER A 74 -10.569 -9.799 1.142 1.00 0.00 C ATOM 1086 O SER A 74 -11.600 -10.440 1.340 1.00 0.00 O ATOM 1087 CB SER A 74 -9.799 -10.696 3.348 1.00 0.00 C ATOM 1088 OG SER A 74 -9.740 -12.085 3.074 1.00 0.00 O ATOM 0 H SER A 74 -9.700 -7.976 2.957 1.00 0.00 H new ATOM 0 HA SER A 74 -8.563 -10.364 1.621 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.136 -10.458 4.180 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.809 -10.426 3.658 1.00 0.00 H new ATOM 0 HG SER A 74 -9.998 -12.588 3.875 1.00 0.00 H new ATOM 1094 N GLY A 75 -10.399 -9.010 0.086 1.00 0.00 N ATOM 1095 CA GLY A 75 -11.446 -8.864 -0.907 1.00 0.00 C ATOM 1096 C GLY A 75 -11.092 -7.853 -1.980 1.00 0.00 C ATOM 1097 O GLY A 75 -10.155 -7.068 -1.837 1.00 0.00 O ATOM 0 H GLY A 75 -9.554 -8.469 -0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.638 -9.831 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.369 -8.558 -0.415 1.00 0.00 H new ATOM 1101 N PRO A 76 -11.853 -7.865 -3.085 1.00 0.00 N ATOM 1102 CA PRO A 76 -11.632 -6.949 -4.208 1.00 0.00 C ATOM 1103 C PRO A 76 -11.989 -5.508 -3.859 1.00 0.00 C ATOM 1104 O PRO A 76 -12.413 -5.217 -2.741 1.00 0.00 O ATOM 1105 CB PRO A 76 -12.570 -7.485 -5.292 1.00 0.00 C ATOM 1106 CG PRO A 76 -13.644 -8.197 -4.546 1.00 0.00 C ATOM 1107 CD PRO A 76 -12.987 -8.774 -3.322 1.00 0.00 C ATOM 0 HA PRO A 76 -10.585 -6.917 -4.509 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.978 -6.676 -5.897 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.047 -8.158 -5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.447 -7.513 -4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -14.088 -8.983 -5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.669 -8.796 -2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -12.653 -9.798 -3.490 1.00 0.00 H new ATOM 1115 N SER A 77 -11.815 -4.610 -4.824 1.00 0.00 N ATOM 1116 CA SER A 77 -12.117 -3.199 -4.617 1.00 0.00 C ATOM 1117 C SER A 77 -13.622 -2.975 -4.505 1.00 0.00 C ATOM 1118 O SER A 77 -14.300 -2.728 -5.502 1.00 0.00 O ATOM 1119 CB SER A 77 -11.550 -2.361 -5.765 1.00 0.00 C ATOM 1120 OG SER A 77 -10.176 -2.642 -5.971 1.00 0.00 O ATOM 0 H SER A 77 -11.467 -4.835 -5.756 1.00 0.00 H new ATOM 0 HA SER A 77 -11.651 -2.887 -3.683 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.107 -2.566 -6.679 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.679 -1.301 -5.544 1.00 0.00 H new ATOM 0 HG SER A 77 -9.838 -2.095 -6.711 1.00 0.00 H new ATOM 1126 N SER A 78 -14.137 -3.064 -3.283 1.00 0.00 N ATOM 1127 CA SER A 78 -15.562 -2.875 -3.039 1.00 0.00 C ATOM 1128 C SER A 78 -15.908 -1.392 -2.958 1.00 0.00 C ATOM 1129 O SER A 78 -16.784 -0.907 -3.674 1.00 0.00 O ATOM 1130 CB SER A 78 -15.977 -3.578 -1.745 1.00 0.00 C ATOM 1131 OG SER A 78 -16.138 -4.971 -1.950 1.00 0.00 O ATOM 0 H SER A 78 -13.589 -3.266 -2.447 1.00 0.00 H new ATOM 0 HA SER A 78 -16.109 -3.313 -3.874 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.224 -3.405 -0.976 1.00 0.00 H new ATOM 0 HB3 SER A 78 -16.911 -3.151 -1.379 1.00 0.00 H new ATOM 0 HG SER A 78 -16.402 -5.397 -1.108 1.00 0.00 H new ATOM 1137 N GLY A 79 -15.213 -0.675 -2.080 1.00 0.00 N ATOM 1138 CA GLY A 79 -15.460 0.746 -1.921 1.00 0.00 C ATOM 1139 C GLY A 79 -16.591 1.033 -0.953 1.00 0.00 C ATOM 1140 O GLY A 79 -16.375 1.121 0.255 1.00 0.00 O ATOM 0 H GLY A 79 -14.483 -1.053 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.551 1.232 -1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.697 1.181 -2.892 1.00 0.00 H new TER 1144 GLY A 79