USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 609 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0951 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -53:sc= 0.263 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 10 GLN : amide:sc= -0.159 K(o=-0.16,f=-6.4!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00123 USER MOD Single : A 14 GLN : amide:sc= -2.23! C(o=-2.2!,f=-2.4!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -150:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 31 MET CE :methyl 139:sc= -2.14 (180deg=-6.28!) USER MOD Single : A 32 THR OG1 : rot -130:sc= -0.242 USER MOD Single : A 33 SER OG : rot 170:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 50:sc= -2.15 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.202 USER MOD Single : A 58 THR OG1 : rot 82:sc= 1.17 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 138:sc= -1.42 (180deg=-3.39!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 25:sc= 0.982 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.982 -20.242 -1.569 1.00 0.00 N ATOM 2 CA GLY A 1 -2.426 -19.730 -0.331 1.00 0.00 C ATOM 3 C GLY A 1 -2.992 -20.426 0.891 1.00 0.00 C ATOM 4 O GLY A 1 -3.944 -21.199 0.788 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.222 -20.657 -2.145 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.692 -20.971 -1.355 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.431 -19.465 -2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.343 -19.851 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.626 -18.661 -0.261 1.00 0.00 H new ATOM 8 N SER A 2 -2.405 -20.152 2.052 1.00 0.00 N ATOM 9 CA SER A 2 -2.853 -20.763 3.298 1.00 0.00 C ATOM 10 C SER A 2 -3.907 -19.895 3.979 1.00 0.00 C ATOM 11 O SER A 2 -3.810 -18.668 3.981 1.00 0.00 O ATOM 12 CB SER A 2 -1.667 -20.978 4.240 1.00 0.00 C ATOM 13 OG SER A 2 -1.188 -19.745 4.747 1.00 0.00 O ATOM 0 H SER A 2 -1.618 -19.511 2.156 1.00 0.00 H new ATOM 0 HA SER A 2 -3.299 -21.729 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.967 -21.622 5.066 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.866 -21.492 3.709 1.00 0.00 H new ATOM 0 HG SER A 2 -0.431 -19.910 5.348 1.00 0.00 H new ATOM 19 N SER A 3 -4.914 -20.543 4.556 1.00 0.00 N ATOM 20 CA SER A 3 -5.989 -19.832 5.238 1.00 0.00 C ATOM 21 C SER A 3 -6.548 -18.719 4.357 1.00 0.00 C ATOM 22 O SER A 3 -6.818 -17.615 4.828 1.00 0.00 O ATOM 23 CB SER A 3 -5.486 -19.248 6.559 1.00 0.00 C ATOM 24 OG SER A 3 -6.563 -18.793 7.360 1.00 0.00 O ATOM 0 H SER A 3 -5.008 -21.559 4.565 1.00 0.00 H new ATOM 0 HA SER A 3 -6.788 -20.544 5.445 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.919 -20.004 7.102 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.804 -18.422 6.358 1.00 0.00 H new ATOM 0 HG SER A 3 -7.125 -18.184 6.837 1.00 0.00 H new ATOM 30 N GLY A 4 -6.720 -19.018 3.073 1.00 0.00 N ATOM 31 CA GLY A 4 -7.245 -18.034 2.145 1.00 0.00 C ATOM 32 C GLY A 4 -8.496 -18.515 1.436 1.00 0.00 C ATOM 33 O GLY A 4 -8.470 -19.525 0.734 1.00 0.00 O ATOM 0 H GLY A 4 -6.505 -19.925 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.468 -17.113 2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.482 -17.793 1.405 1.00 0.00 H new ATOM 37 N SER A 5 -9.595 -17.790 1.622 1.00 0.00 N ATOM 38 CA SER A 5 -10.863 -18.152 0.999 1.00 0.00 C ATOM 39 C SER A 5 -11.510 -16.938 0.339 1.00 0.00 C ATOM 40 O SER A 5 -11.129 -15.798 0.603 1.00 0.00 O ATOM 41 CB SER A 5 -11.814 -18.749 2.038 1.00 0.00 C ATOM 42 OG SER A 5 -12.061 -17.832 3.089 1.00 0.00 O ATOM 0 H SER A 5 -9.633 -16.949 2.198 1.00 0.00 H new ATOM 0 HA SER A 5 -10.662 -18.898 0.230 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.755 -19.021 1.560 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.385 -19.665 2.444 1.00 0.00 H new ATOM 0 HG SER A 5 -12.673 -18.236 3.739 1.00 0.00 H new ATOM 48 N SER A 6 -12.490 -17.192 -0.522 1.00 0.00 N ATOM 49 CA SER A 6 -13.189 -16.122 -1.223 1.00 0.00 C ATOM 50 C SER A 6 -13.722 -15.085 -0.239 1.00 0.00 C ATOM 51 O SER A 6 -13.966 -15.388 0.928 1.00 0.00 O ATOM 52 CB SER A 6 -14.340 -16.693 -2.053 1.00 0.00 C ATOM 53 OG SER A 6 -14.702 -15.809 -3.099 1.00 0.00 O ATOM 0 H SER A 6 -12.818 -18.130 -0.751 1.00 0.00 H new ATOM 0 HA SER A 6 -12.478 -15.633 -1.889 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.048 -17.656 -2.471 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.202 -16.873 -1.410 1.00 0.00 H new ATOM 0 HG SER A 6 -15.438 -16.198 -3.616 1.00 0.00 H new ATOM 59 N GLY A 7 -13.900 -13.858 -0.720 1.00 0.00 N ATOM 60 CA GLY A 7 -14.403 -12.794 0.129 1.00 0.00 C ATOM 61 C GLY A 7 -15.562 -12.049 -0.501 1.00 0.00 C ATOM 62 O GLY A 7 -16.623 -12.625 -0.740 1.00 0.00 O ATOM 0 H GLY A 7 -13.705 -13.582 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.721 -13.214 1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.597 -12.092 0.343 1.00 0.00 H new ATOM 66 N ALA A 8 -15.361 -10.763 -0.770 1.00 0.00 N ATOM 67 CA ALA A 8 -16.399 -9.937 -1.376 1.00 0.00 C ATOM 68 C ALA A 8 -15.792 -8.874 -2.285 1.00 0.00 C ATOM 69 O ALA A 8 -14.629 -8.500 -2.131 1.00 0.00 O ATOM 70 CB ALA A 8 -17.253 -9.288 -0.298 1.00 0.00 C ATOM 0 H ALA A 8 -14.489 -10.270 -0.578 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.032 -10.581 -1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -18.024 -8.674 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -17.723 -10.062 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.625 -8.662 0.336 1.00 0.00 H new ATOM 76 N LEU A 9 -16.587 -8.390 -3.233 1.00 0.00 N ATOM 77 CA LEU A 9 -16.129 -7.369 -4.169 1.00 0.00 C ATOM 78 C LEU A 9 -16.941 -6.087 -4.017 1.00 0.00 C ATOM 79 O LEU A 9 -18.161 -6.129 -3.861 1.00 0.00 O ATOM 80 CB LEU A 9 -16.230 -7.883 -5.606 1.00 0.00 C ATOM 81 CG LEU A 9 -15.063 -8.740 -6.096 1.00 0.00 C ATOM 82 CD1 LEU A 9 -15.463 -9.531 -7.332 1.00 0.00 C ATOM 83 CD2 LEU A 9 -13.848 -7.871 -6.387 1.00 0.00 C ATOM 0 H LEU A 9 -17.552 -8.688 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.086 -7.146 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -17.146 -8.466 -5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.329 -7.025 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.800 -9.445 -5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.619 -10.135 -7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.303 -10.183 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.754 -8.843 -8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.027 -8.498 -6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.099 -7.141 -7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.547 -7.350 -5.478 1.00 0.00 H new ATOM 95 N GLN A 10 -16.256 -4.949 -4.065 1.00 0.00 N ATOM 96 CA GLN A 10 -16.915 -3.655 -3.934 1.00 0.00 C ATOM 97 C GLN A 10 -16.099 -2.558 -4.610 1.00 0.00 C ATOM 98 O GLN A 10 -14.890 -2.697 -4.800 1.00 0.00 O ATOM 99 CB GLN A 10 -17.126 -3.314 -2.458 1.00 0.00 C ATOM 100 CG GLN A 10 -18.111 -2.178 -2.232 1.00 0.00 C ATOM 101 CD GLN A 10 -19.419 -2.384 -2.969 1.00 0.00 C ATOM 102 OE1 GLN A 10 -19.520 -2.115 -4.166 1.00 0.00 O ATOM 103 NE2 GLN A 10 -20.432 -2.864 -2.256 1.00 0.00 N ATOM 0 H GLN A 10 -15.245 -4.897 -4.194 1.00 0.00 H new ATOM 0 HA GLN A 10 -17.885 -3.717 -4.427 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -17.482 -4.202 -1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -16.167 -3.046 -2.015 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -18.311 -2.083 -1.165 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -17.659 -1.241 -2.557 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -20.305 -3.073 -1.266 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -21.337 -3.023 -2.699 1.00 0.00 H new ATOM 112 N ASP A 11 -16.767 -1.468 -4.972 1.00 0.00 N ATOM 113 CA ASP A 11 -16.104 -0.347 -5.627 1.00 0.00 C ATOM 114 C ASP A 11 -14.844 0.057 -4.869 1.00 0.00 C ATOM 115 O ASP A 11 -14.627 -0.368 -3.734 1.00 0.00 O ATOM 116 CB ASP A 11 -17.056 0.846 -5.731 1.00 0.00 C ATOM 117 CG ASP A 11 -17.550 1.313 -4.375 1.00 0.00 C ATOM 118 OD1 ASP A 11 -16.705 1.548 -3.486 1.00 0.00 O ATOM 119 OD2 ASP A 11 -18.780 1.441 -4.203 1.00 0.00 O ATOM 0 H ASP A 11 -17.768 -1.337 -4.823 1.00 0.00 H new ATOM 0 HA ASP A 11 -15.818 -0.662 -6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -16.548 1.670 -6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -17.910 0.573 -6.351 1.00 0.00 H new ATOM 124 N ARG A 12 -14.015 0.879 -5.504 1.00 0.00 N ATOM 125 CA ARG A 12 -12.775 1.338 -4.890 1.00 0.00 C ATOM 126 C ARG A 12 -12.999 1.719 -3.429 1.00 0.00 C ATOM 127 O ARG A 12 -13.619 2.740 -3.130 1.00 0.00 O ATOM 128 CB ARG A 12 -12.213 2.535 -5.659 1.00 0.00 C ATOM 129 CG ARG A 12 -11.547 2.157 -6.973 1.00 0.00 C ATOM 130 CD ARG A 12 -10.613 3.253 -7.460 1.00 0.00 C ATOM 131 NE ARG A 12 -11.338 4.343 -8.108 1.00 0.00 N ATOM 132 CZ ARG A 12 -10.779 5.190 -8.965 1.00 0.00 C ATOM 133 NH1 ARG A 12 -9.495 5.074 -9.275 1.00 0.00 N ATOM 134 NH2 ARG A 12 -11.504 6.156 -9.514 1.00 0.00 N ATOM 0 H ARG A 12 -14.180 1.241 -6.443 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.056 0.520 -4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.021 3.239 -5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.489 3.053 -5.030 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.987 1.231 -6.845 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.310 1.966 -7.727 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.045 3.646 -6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.892 2.830 -8.160 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.328 4.460 -7.891 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.934 4.333 -8.855 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.068 5.726 -9.933 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.492 6.249 -9.278 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.073 6.806 -10.172 1.00 0.00 H new ATOM 148 N THR A 13 -12.491 0.890 -2.522 1.00 0.00 N ATOM 149 CA THR A 13 -12.638 1.138 -1.094 1.00 0.00 C ATOM 150 C THR A 13 -11.599 2.139 -0.600 1.00 0.00 C ATOM 151 O THR A 13 -10.546 2.308 -1.215 1.00 0.00 O ATOM 152 CB THR A 13 -12.506 -0.163 -0.281 1.00 0.00 C ATOM 153 OG1 THR A 13 -11.314 -0.860 -0.661 1.00 0.00 O ATOM 154 CG2 THR A 13 -13.715 -1.061 -0.498 1.00 0.00 C ATOM 0 H THR A 13 -11.974 0.041 -2.752 1.00 0.00 H new ATOM 0 HA THR A 13 -13.636 1.551 -0.946 1.00 0.00 H new ATOM 0 HB THR A 13 -12.452 0.099 0.776 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.237 -1.685 -0.138 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.600 -1.974 0.086 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.618 -0.539 -0.181 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.795 -1.314 -1.555 1.00 0.00 H new ATOM 162 N GLN A 14 -11.903 2.800 0.512 1.00 0.00 N ATOM 163 CA GLN A 14 -10.994 3.784 1.088 1.00 0.00 C ATOM 164 C GLN A 14 -10.319 3.236 2.341 1.00 0.00 C ATOM 165 O GLN A 14 -10.962 2.601 3.177 1.00 0.00 O ATOM 166 CB GLN A 14 -11.749 5.072 1.422 1.00 0.00 C ATOM 167 CG GLN A 14 -12.825 4.889 2.480 1.00 0.00 C ATOM 168 CD GLN A 14 -14.063 4.201 1.940 1.00 0.00 C ATOM 169 OE1 GLN A 14 -14.473 3.153 2.441 1.00 0.00 O ATOM 170 NE2 GLN A 14 -14.666 4.788 0.913 1.00 0.00 N ATOM 0 H GLN A 14 -12.771 2.672 1.032 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.222 4.004 0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -11.037 5.822 1.766 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.207 5.461 0.513 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.421 4.305 3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.102 5.863 2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.291 5.656 0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.504 4.371 0.507 1.00 0.00 H new ATOM 179 N PHE A 15 -9.020 3.485 2.465 1.00 0.00 N ATOM 180 CA PHE A 15 -8.258 3.015 3.616 1.00 0.00 C ATOM 181 C PHE A 15 -8.477 3.925 4.821 1.00 0.00 C ATOM 182 O PHE A 15 -8.345 5.145 4.724 1.00 0.00 O ATOM 183 CB PHE A 15 -6.767 2.951 3.275 1.00 0.00 C ATOM 184 CG PHE A 15 -6.356 1.660 2.626 1.00 0.00 C ATOM 185 CD1 PHE A 15 -6.556 0.450 3.272 1.00 0.00 C ATOM 186 CD2 PHE A 15 -5.771 1.657 1.370 1.00 0.00 C ATOM 187 CE1 PHE A 15 -6.178 -0.738 2.677 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.391 0.471 0.770 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.596 -0.728 1.424 1.00 0.00 C ATOM 0 H PHE A 15 -8.473 4.010 1.783 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.609 2.015 3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.519 3.778 2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.187 3.091 4.187 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.012 0.436 4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.610 2.592 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.337 -1.674 3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.934 0.482 -0.209 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.302 -1.656 0.957 1.00 0.00 H new ATOM 199 N SER A 16 -8.812 3.322 5.957 1.00 0.00 N ATOM 200 CA SER A 16 -9.054 4.076 7.181 1.00 0.00 C ATOM 201 C SER A 16 -7.754 4.302 7.946 1.00 0.00 C ATOM 202 O SER A 16 -6.780 3.571 7.766 1.00 0.00 O ATOM 203 CB SER A 16 -10.060 3.341 8.069 1.00 0.00 C ATOM 204 OG SER A 16 -10.616 4.211 9.039 1.00 0.00 O ATOM 0 H SER A 16 -8.922 2.313 6.055 1.00 0.00 H new ATOM 0 HA SER A 16 -9.466 5.046 6.904 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.856 2.923 7.453 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.568 2.505 8.566 1.00 0.00 H new ATOM 0 HG SER A 16 -11.257 3.717 9.592 1.00 0.00 H new ATOM 210 N ASP A 17 -7.746 5.319 8.801 1.00 0.00 N ATOM 211 CA ASP A 17 -6.566 5.642 9.595 1.00 0.00 C ATOM 212 C ASP A 17 -5.918 4.375 10.144 1.00 0.00 C ATOM 213 O ASP A 17 -4.694 4.247 10.155 1.00 0.00 O ATOM 214 CB ASP A 17 -6.940 6.578 10.745 1.00 0.00 C ATOM 215 CG ASP A 17 -6.036 6.406 11.949 1.00 0.00 C ATOM 216 OD1 ASP A 17 -6.099 5.336 12.590 1.00 0.00 O ATOM 217 OD2 ASP A 17 -5.265 7.342 12.251 1.00 0.00 O ATOM 0 H ASP A 17 -8.544 5.934 8.962 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.848 6.144 8.947 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.888 7.611 10.400 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.973 6.392 11.040 1.00 0.00 H new ATOM 222 N ARG A 18 -6.747 3.442 10.601 1.00 0.00 N ATOM 223 CA ARG A 18 -6.255 2.187 11.154 1.00 0.00 C ATOM 224 C ARG A 18 -5.454 1.410 10.112 1.00 0.00 C ATOM 225 O ARG A 18 -4.281 1.101 10.320 1.00 0.00 O ATOM 226 CB ARG A 18 -7.421 1.334 11.656 1.00 0.00 C ATOM 227 CG ARG A 18 -8.042 1.849 12.944 1.00 0.00 C ATOM 228 CD ARG A 18 -7.103 1.669 14.127 1.00 0.00 C ATOM 229 NE ARG A 18 -7.768 1.933 15.399 1.00 0.00 N ATOM 230 CZ ARG A 18 -7.268 1.580 16.578 1.00 0.00 C ATOM 231 NH1 ARG A 18 -6.102 0.951 16.645 1.00 0.00 N ATOM 232 NH2 ARG A 18 -7.933 1.855 17.693 1.00 0.00 N ATOM 0 H ARG A 18 -7.763 3.532 10.599 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.598 2.421 11.992 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.189 1.293 10.884 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.072 0.313 11.813 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.290 2.904 12.833 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.976 1.320 13.136 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.711 0.652 14.127 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.250 2.339 14.018 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.667 2.415 15.382 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.588 0.738 15.790 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.720 0.681 17.551 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.830 2.338 17.646 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.547 1.583 18.597 1.00 0.00 H new ATOM 246 N ASP A 19 -6.097 1.099 8.992 1.00 0.00 N ATOM 247 CA ASP A 19 -5.445 0.359 7.918 1.00 0.00 C ATOM 248 C ASP A 19 -4.198 1.091 7.433 1.00 0.00 C ATOM 249 O ASP A 19 -3.111 0.514 7.370 1.00 0.00 O ATOM 250 CB ASP A 19 -6.414 0.150 6.753 1.00 0.00 C ATOM 251 CG ASP A 19 -7.521 -0.830 7.089 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.288 -2.052 6.970 1.00 0.00 O ATOM 253 OD2 ASP A 19 -8.619 -0.376 7.471 1.00 0.00 O ATOM 0 H ASP A 19 -7.068 1.348 8.804 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.145 -0.613 8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.853 1.108 6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.862 -0.213 5.886 1.00 0.00 H new ATOM 258 N LEU A 20 -4.361 2.364 7.090 1.00 0.00 N ATOM 259 CA LEU A 20 -3.248 3.176 6.609 1.00 0.00 C ATOM 260 C LEU A 20 -2.020 2.994 7.495 1.00 0.00 C ATOM 261 O LEU A 20 -0.926 2.715 7.005 1.00 0.00 O ATOM 262 CB LEU A 20 -3.648 4.652 6.569 1.00 0.00 C ATOM 263 CG LEU A 20 -4.466 5.092 5.354 1.00 0.00 C ATOM 264 CD1 LEU A 20 -4.866 6.554 5.482 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.681 4.863 4.071 1.00 0.00 C ATOM 0 H LEU A 20 -5.253 2.856 7.136 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.998 2.846 5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.221 4.877 7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.741 5.255 6.609 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.374 4.490 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.447 6.850 4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.467 6.689 6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.970 7.172 5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.279 5.182 3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.756 5.439 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.445 3.803 3.973 1.00 0.00 H new ATOM 277 N ALA A 21 -2.209 3.152 8.801 1.00 0.00 N ATOM 278 CA ALA A 21 -1.117 3.002 9.755 1.00 0.00 C ATOM 279 C ALA A 21 -0.143 1.918 9.307 1.00 0.00 C ATOM 280 O ALA A 21 1.067 2.141 9.247 1.00 0.00 O ATOM 281 CB ALA A 21 -1.665 2.683 11.138 1.00 0.00 C ATOM 0 H ALA A 21 -3.108 3.384 9.223 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.574 3.946 9.800 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.839 2.574 11.840 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.316 3.493 11.467 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.233 1.754 11.099 1.00 0.00 H new ATOM 287 N THR A 22 -0.677 0.741 8.993 1.00 0.00 N ATOM 288 CA THR A 22 0.146 -0.379 8.553 1.00 0.00 C ATOM 289 C THR A 22 1.002 0.007 7.352 1.00 0.00 C ATOM 290 O THR A 22 2.228 -0.106 7.389 1.00 0.00 O ATOM 291 CB THR A 22 -0.718 -1.599 8.182 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.575 -1.943 9.277 1.00 0.00 O ATOM 293 CG2 THR A 22 0.156 -2.791 7.821 1.00 0.00 C ATOM 0 H THR A 22 -1.676 0.539 9.035 1.00 0.00 H new ATOM 0 HA THR A 22 0.794 -0.643 9.389 1.00 0.00 H new ATOM 0 HB THR A 22 -1.324 -1.338 7.315 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.750 -2.907 9.265 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.476 -3.641 7.563 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.786 -2.535 6.969 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.785 -3.052 8.672 1.00 0.00 H new ATOM 301 N LEU A 23 0.350 0.464 6.289 1.00 0.00 N ATOM 302 CA LEU A 23 1.053 0.868 5.076 1.00 0.00 C ATOM 303 C LEU A 23 2.068 1.966 5.374 1.00 0.00 C ATOM 304 O LEU A 23 3.272 1.780 5.197 1.00 0.00 O ATOM 305 CB LEU A 23 0.055 1.352 4.022 1.00 0.00 C ATOM 306 CG LEU A 23 -0.636 0.263 3.201 1.00 0.00 C ATOM 307 CD1 LEU A 23 -1.793 0.847 2.405 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.361 -0.418 2.274 1.00 0.00 C ATOM 0 H LEU A 23 -0.664 0.564 6.242 1.00 0.00 H new ATOM 0 HA LEU A 23 1.588 0.000 4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.712 1.944 4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.577 2.020 3.336 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.035 -0.484 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.272 0.057 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.519 1.288 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.418 1.615 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.148 -1.190 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.789 0.320 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.157 -0.871 2.865 1.00 0.00 H new ATOM 320 N LYS A 24 1.574 3.113 5.831 1.00 0.00 N ATOM 321 CA LYS A 24 2.437 4.241 6.158 1.00 0.00 C ATOM 322 C LYS A 24 3.680 3.776 6.909 1.00 0.00 C ATOM 323 O LYS A 24 4.757 4.357 6.770 1.00 0.00 O ATOM 324 CB LYS A 24 1.674 5.266 7.001 1.00 0.00 C ATOM 325 CG LYS A 24 2.149 6.694 6.799 1.00 0.00 C ATOM 326 CD LYS A 24 1.781 7.576 7.980 1.00 0.00 C ATOM 327 CE LYS A 24 2.773 7.421 9.122 1.00 0.00 C ATOM 328 NZ LYS A 24 2.660 8.529 10.110 1.00 0.00 N ATOM 0 H LYS A 24 0.580 3.285 5.983 1.00 0.00 H new ATOM 0 HA LYS A 24 2.751 4.708 5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.613 5.207 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.774 5.004 8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.230 6.703 6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.707 7.100 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.751 8.618 7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.780 7.320 8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.603 6.468 9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.786 7.394 8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.353 8.386 10.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.847 9.436 9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.701 8.540 10.512 1.00 0.00 H new ATOM 342 N LYS A 25 3.526 2.722 7.704 1.00 0.00 N ATOM 343 CA LYS A 25 4.637 2.176 8.475 1.00 0.00 C ATOM 344 C LYS A 25 5.811 1.827 7.566 1.00 0.00 C ATOM 345 O LYS A 25 6.927 2.304 7.767 1.00 0.00 O ATOM 346 CB LYS A 25 4.187 0.932 9.245 1.00 0.00 C ATOM 347 CG LYS A 25 5.152 0.512 10.340 1.00 0.00 C ATOM 348 CD LYS A 25 4.532 -0.523 11.264 1.00 0.00 C ATOM 349 CE LYS A 25 5.588 -1.226 12.101 1.00 0.00 C ATOM 350 NZ LYS A 25 4.986 -1.970 13.243 1.00 0.00 N ATOM 0 H LYS A 25 2.642 2.229 7.831 1.00 0.00 H new ATOM 0 HA LYS A 25 4.963 2.937 9.184 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.209 1.123 9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.064 0.106 8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.058 0.104 9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.449 1.386 10.919 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.809 -0.039 11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.985 -1.258 10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.149 -1.918 11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.299 -0.492 12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.739 -2.436 13.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.472 -1.307 13.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.327 -2.688 12.881 1.00 0.00 H new ATOM 364 N TYR A 26 5.550 0.993 6.565 1.00 0.00 N ATOM 365 CA TYR A 26 6.586 0.580 5.626 1.00 0.00 C ATOM 366 C TYR A 26 7.121 1.776 4.844 1.00 0.00 C ATOM 367 O TYR A 26 8.300 1.826 4.495 1.00 0.00 O ATOM 368 CB TYR A 26 6.037 -0.471 4.659 1.00 0.00 C ATOM 369 CG TYR A 26 6.057 -1.876 5.217 1.00 0.00 C ATOM 370 CD1 TYR A 26 7.252 -2.569 5.363 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.881 -2.511 5.597 1.00 0.00 C ATOM 372 CE1 TYR A 26 7.276 -3.853 5.872 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.895 -3.794 6.109 1.00 0.00 C ATOM 374 CZ TYR A 26 6.095 -4.461 6.244 1.00 0.00 C ATOM 375 OH TYR A 26 6.113 -5.740 6.751 1.00 0.00 O ATOM 0 H TYR A 26 4.631 0.590 6.383 1.00 0.00 H new ATOM 0 HA TYR A 26 7.407 0.146 6.197 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.013 -0.209 4.394 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.621 -0.446 3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.179 -2.096 5.073 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.940 -1.993 5.490 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.214 -4.378 5.978 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.972 -4.272 6.402 1.00 0.00 H new ATOM 0 HH TYR A 26 5.198 -6.020 6.964 1.00 0.00 H new ATOM 385 N TRP A 27 6.245 2.737 4.573 1.00 0.00 N ATOM 386 CA TRP A 27 6.628 3.934 3.833 1.00 0.00 C ATOM 387 C TRP A 27 7.808 4.632 4.501 1.00 0.00 C ATOM 388 O TRP A 27 8.606 5.294 3.837 1.00 0.00 O ATOM 389 CB TRP A 27 5.443 4.895 3.729 1.00 0.00 C ATOM 390 CG TRP A 27 5.780 6.179 3.033 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.594 7.173 3.496 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.308 6.609 1.751 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.658 8.194 2.578 1.00 0.00 N ATOM 394 CE2 TRP A 27 5.878 7.872 1.499 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.461 6.048 0.791 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.627 8.582 0.328 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.212 6.754 -0.371 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.794 8.009 -0.595 1.00 0.00 C ATOM 0 H TRP A 27 5.265 2.711 4.855 1.00 0.00 H new ATOM 0 HA TRP A 27 6.929 3.631 2.830 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.631 4.403 3.195 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.076 5.118 4.731 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.111 7.159 4.444 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.199 9.052 2.683 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.009 5.081 0.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.073 9.550 0.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.558 6.331 -1.119 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.581 8.535 -1.514 1.00 0.00 H new ATOM 409 N ASP A 28 7.912 4.480 5.817 1.00 0.00 N ATOM 410 CA ASP A 28 8.996 5.096 6.574 1.00 0.00 C ATOM 411 C ASP A 28 10.348 4.546 6.132 1.00 0.00 C ATOM 412 O ASP A 28 11.392 5.120 6.437 1.00 0.00 O ATOM 413 CB ASP A 28 8.799 4.858 8.072 1.00 0.00 C ATOM 414 CG ASP A 28 9.838 5.573 8.913 1.00 0.00 C ATOM 415 OD1 ASP A 28 9.810 6.821 8.956 1.00 0.00 O ATOM 416 OD2 ASP A 28 10.680 4.885 9.528 1.00 0.00 O ATOM 0 H ASP A 28 7.259 3.936 6.381 1.00 0.00 H new ATOM 0 HA ASP A 28 8.979 6.168 6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.805 5.196 8.363 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.844 3.788 8.276 1.00 0.00 H new ATOM 421 N ASN A 29 10.320 3.428 5.413 1.00 0.00 N ATOM 422 CA ASN A 29 11.545 2.799 4.931 1.00 0.00 C ATOM 423 C ASN A 29 11.716 3.020 3.431 1.00 0.00 C ATOM 424 O ASN A 29 12.417 2.267 2.758 1.00 0.00 O ATOM 425 CB ASN A 29 11.527 1.300 5.238 1.00 0.00 C ATOM 426 CG ASN A 29 12.133 0.980 6.591 1.00 0.00 C ATOM 427 OD1 ASN A 29 13.310 1.247 6.836 1.00 0.00 O ATOM 428 ND2 ASN A 29 11.329 0.405 7.478 1.00 0.00 N ATOM 0 H ASN A 29 9.464 2.940 5.152 1.00 0.00 H new ATOM 0 HA ASN A 29 12.388 3.259 5.446 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.499 0.938 5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.075 0.766 4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.680 0.167 8.405 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.360 0.202 7.232 1.00 0.00 H new ATOM 435 N GLY A 30 11.069 4.061 2.915 1.00 0.00 N ATOM 436 CA GLY A 30 11.163 4.363 1.498 1.00 0.00 C ATOM 437 C GLY A 30 10.324 3.429 0.649 1.00 0.00 C ATOM 438 O GLY A 30 10.736 3.031 -0.440 1.00 0.00 O ATOM 0 H GLY A 30 10.482 4.700 3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.843 5.391 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.205 4.297 1.184 1.00 0.00 H new ATOM 442 N MET A 31 9.144 3.076 1.149 1.00 0.00 N ATOM 443 CA MET A 31 8.246 2.181 0.428 1.00 0.00 C ATOM 444 C MET A 31 7.499 2.931 -0.671 1.00 0.00 C ATOM 445 O MET A 31 6.288 2.776 -0.830 1.00 0.00 O ATOM 446 CB MET A 31 7.247 1.541 1.393 1.00 0.00 C ATOM 447 CG MET A 31 6.770 0.167 0.951 1.00 0.00 C ATOM 448 SD MET A 31 5.153 -0.258 1.625 1.00 0.00 S ATOM 449 CE MET A 31 4.152 1.074 0.967 1.00 0.00 C ATOM 0 H MET A 31 8.788 3.396 2.050 1.00 0.00 H new ATOM 0 HA MET A 31 8.847 1.398 -0.034 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.708 1.457 2.377 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.385 2.199 1.500 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.725 0.135 -0.138 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.497 -0.583 1.262 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.192 0.678 0.635 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.987 1.822 1.742 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.667 1.533 0.123 1.00 0.00 H new ATOM 459 N THR A 32 8.230 3.743 -1.429 1.00 0.00 N ATOM 460 CA THR A 32 7.637 4.517 -2.512 1.00 0.00 C ATOM 461 C THR A 32 8.109 4.013 -3.871 1.00 0.00 C ATOM 462 O THR A 32 8.528 4.797 -4.722 1.00 0.00 O ATOM 463 CB THR A 32 7.978 6.014 -2.385 1.00 0.00 C ATOM 464 OG1 THR A 32 9.374 6.221 -2.629 1.00 0.00 O ATOM 465 CG2 THR A 32 7.617 6.536 -1.002 1.00 0.00 C ATOM 0 H THR A 32 9.234 3.881 -1.312 1.00 0.00 H new ATOM 0 HA THR A 32 6.557 4.390 -2.436 1.00 0.00 H new ATOM 0 HB THR A 32 7.395 6.561 -3.126 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.755 6.764 -1.907 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.867 7.595 -0.936 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.549 6.404 -0.831 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.177 5.984 -0.247 1.00 0.00 H new ATOM 473 N SER A 33 8.038 2.701 -4.067 1.00 0.00 N ATOM 474 CA SER A 33 8.462 2.092 -5.322 1.00 0.00 C ATOM 475 C SER A 33 7.685 0.807 -5.592 1.00 0.00 C ATOM 476 O SER A 33 7.112 0.210 -4.679 1.00 0.00 O ATOM 477 CB SER A 33 9.963 1.796 -5.289 1.00 0.00 C ATOM 478 OG SER A 33 10.525 1.866 -6.588 1.00 0.00 O ATOM 0 H SER A 33 7.691 2.039 -3.373 1.00 0.00 H new ATOM 0 HA SER A 33 8.256 2.797 -6.127 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.463 2.509 -4.634 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.132 0.805 -4.869 1.00 0.00 H new ATOM 0 HG SER A 33 11.502 1.834 -6.524 1.00 0.00 H new ATOM 484 N LEU A 34 7.670 0.385 -6.852 1.00 0.00 N ATOM 485 CA LEU A 34 6.964 -0.830 -7.244 1.00 0.00 C ATOM 486 C LEU A 34 7.939 -1.987 -7.441 1.00 0.00 C ATOM 487 O LEU A 34 7.660 -3.119 -7.050 1.00 0.00 O ATOM 488 CB LEU A 34 6.173 -0.590 -8.531 1.00 0.00 C ATOM 489 CG LEU A 34 4.882 0.217 -8.386 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.594 0.997 -9.659 1.00 0.00 C ATOM 491 CD2 LEU A 34 3.717 -0.700 -8.044 1.00 0.00 C ATOM 0 H LEU A 34 8.139 0.866 -7.619 1.00 0.00 H new ATOM 0 HA LEU A 34 6.273 -1.094 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.821 -0.076 -9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.926 -1.558 -8.967 1.00 0.00 H new ATOM 0 HG LEU A 34 5.010 0.929 -7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.672 1.565 -9.537 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.418 1.682 -9.860 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.486 0.304 -10.494 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.806 -0.109 -7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.588 -1.435 -8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.921 -1.213 -7.104 1.00 0.00 H new ATOM 503 N GLY A 35 9.085 -1.692 -8.048 1.00 0.00 N ATOM 504 CA GLY A 35 10.084 -2.718 -8.283 1.00 0.00 C ATOM 505 C GLY A 35 10.335 -3.575 -7.058 1.00 0.00 C ATOM 506 O GLY A 35 9.851 -3.270 -5.969 1.00 0.00 O ATOM 0 H GLY A 35 9.339 -0.762 -8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.760 -3.354 -9.107 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.018 -2.248 -8.591 1.00 0.00 H new ATOM 510 N SER A 36 11.094 -4.651 -7.237 1.00 0.00 N ATOM 511 CA SER A 36 11.404 -5.558 -6.138 1.00 0.00 C ATOM 512 C SER A 36 11.774 -4.780 -4.879 1.00 0.00 C ATOM 513 O SER A 36 11.343 -5.120 -3.777 1.00 0.00 O ATOM 514 CB SER A 36 12.551 -6.493 -6.529 1.00 0.00 C ATOM 515 OG SER A 36 12.087 -7.558 -7.340 1.00 0.00 O ATOM 0 H SER A 36 11.505 -4.916 -8.132 1.00 0.00 H new ATOM 0 HA SER A 36 10.515 -6.153 -5.928 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.316 -5.931 -7.064 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.020 -6.894 -5.630 1.00 0.00 H new ATOM 0 HG SER A 36 12.839 -8.140 -7.578 1.00 0.00 H new ATOM 521 N VAL A 37 12.576 -3.734 -5.051 1.00 0.00 N ATOM 522 CA VAL A 37 13.004 -2.906 -3.930 1.00 0.00 C ATOM 523 C VAL A 37 11.892 -2.764 -2.897 1.00 0.00 C ATOM 524 O VAL A 37 12.147 -2.767 -1.692 1.00 0.00 O ATOM 525 CB VAL A 37 13.435 -1.504 -4.401 1.00 0.00 C ATOM 526 CG1 VAL A 37 12.309 -0.829 -5.170 1.00 0.00 C ATOM 527 CG2 VAL A 37 13.866 -0.654 -3.215 1.00 0.00 C ATOM 0 H VAL A 37 12.942 -3.440 -5.956 1.00 0.00 H new ATOM 0 HA VAL A 37 13.858 -3.406 -3.474 1.00 0.00 H new ATOM 0 HB VAL A 37 14.287 -1.611 -5.072 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.632 0.160 -5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.052 -1.431 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.435 -0.732 -4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.167 0.333 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.034 -0.553 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.706 -1.132 -2.711 1.00 0.00 H new ATOM 537 N CYS A 38 10.659 -2.640 -3.375 1.00 0.00 N ATOM 538 CA CYS A 38 9.507 -2.496 -2.492 1.00 0.00 C ATOM 539 C CYS A 38 8.647 -3.755 -2.512 1.00 0.00 C ATOM 540 O CYS A 38 8.143 -4.191 -1.476 1.00 0.00 O ATOM 541 CB CYS A 38 8.670 -1.285 -2.904 1.00 0.00 C ATOM 542 SG CYS A 38 9.343 0.300 -2.353 1.00 0.00 S ATOM 0 H CYS A 38 10.431 -2.636 -4.369 1.00 0.00 H new ATOM 0 HA CYS A 38 9.875 -2.345 -1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.580 -1.271 -3.990 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.663 -1.399 -2.502 1.00 0.00 H new ATOM 0 HG CYS A 38 10.600 0.373 -2.676 1.00 0.00 H new ATOM 548 N ARG A 39 8.481 -4.334 -3.697 1.00 0.00 N ATOM 549 CA ARG A 39 7.679 -5.541 -3.852 1.00 0.00 C ATOM 550 C ARG A 39 7.860 -6.472 -2.657 1.00 0.00 C ATOM 551 O ARG A 39 6.892 -7.030 -2.141 1.00 0.00 O ATOM 552 CB ARG A 39 8.060 -6.270 -5.142 1.00 0.00 C ATOM 553 CG ARG A 39 6.963 -7.178 -5.675 1.00 0.00 C ATOM 554 CD ARG A 39 6.042 -6.437 -6.631 1.00 0.00 C ATOM 555 NE ARG A 39 6.552 -6.444 -7.999 1.00 0.00 N ATOM 556 CZ ARG A 39 6.365 -7.448 -8.848 1.00 0.00 C ATOM 557 NH1 ARG A 39 5.683 -8.521 -8.471 1.00 0.00 N ATOM 558 NH2 ARG A 39 6.860 -7.381 -10.077 1.00 0.00 N ATOM 0 H ARG A 39 8.892 -3.986 -4.564 1.00 0.00 H new ATOM 0 HA ARG A 39 6.631 -5.246 -3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.313 -5.533 -5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.956 -6.864 -4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.411 -8.030 -6.187 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.382 -7.575 -4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.053 -6.896 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.923 -5.407 -6.294 1.00 0.00 H new ATOM 0 HE ARG A 39 7.081 -5.633 -8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.301 -8.577 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.541 -9.291 -9.125 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.385 -6.558 -10.371 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.715 -8.153 -10.728 1.00 0.00 H new ATOM 572 N GLU A 40 9.106 -6.634 -2.223 1.00 0.00 N ATOM 573 CA GLU A 40 9.414 -7.498 -1.089 1.00 0.00 C ATOM 574 C GLU A 40 8.607 -7.090 0.140 1.00 0.00 C ATOM 575 O GLU A 40 7.933 -7.916 0.757 1.00 0.00 O ATOM 576 CB GLU A 40 10.909 -7.448 -0.772 1.00 0.00 C ATOM 577 CG GLU A 40 11.748 -8.367 -1.643 1.00 0.00 C ATOM 578 CD GLU A 40 13.142 -8.586 -1.088 1.00 0.00 C ATOM 579 OE1 GLU A 40 13.954 -7.637 -1.134 1.00 0.00 O ATOM 580 OE2 GLU A 40 13.422 -9.704 -0.608 1.00 0.00 O ATOM 0 H GLU A 40 9.918 -6.179 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 40 9.142 -8.519 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.263 -6.424 -0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.059 -7.716 0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.245 -9.329 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.822 -7.944 -2.645 1.00 0.00 H new ATOM 587 N LYS A 41 8.681 -5.811 0.491 1.00 0.00 N ATOM 588 CA LYS A 41 7.959 -5.291 1.646 1.00 0.00 C ATOM 589 C LYS A 41 6.452 -5.366 1.424 1.00 0.00 C ATOM 590 O LYS A 41 5.703 -5.758 2.319 1.00 0.00 O ATOM 591 CB LYS A 41 8.373 -3.844 1.923 1.00 0.00 C ATOM 592 CG LYS A 41 9.869 -3.665 2.118 1.00 0.00 C ATOM 593 CD LYS A 41 10.344 -4.314 3.408 1.00 0.00 C ATOM 594 CE LYS A 41 11.851 -4.518 3.406 1.00 0.00 C ATOM 595 NZ LYS A 41 12.314 -5.243 4.622 1.00 0.00 N ATOM 0 H LYS A 41 9.234 -5.115 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 41 8.213 -5.907 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.046 -3.216 1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.854 -3.491 2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.402 -4.100 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.110 -2.602 2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.061 -3.690 4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.846 -5.275 3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.141 -5.078 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.349 -3.550 3.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.346 -5.362 4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.060 -4.696 5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.859 -6.177 4.664 1.00 0.00 H new ATOM 609 N ILE A 42 6.015 -4.990 0.227 1.00 0.00 N ATOM 610 CA ILE A 42 4.598 -5.018 -0.112 1.00 0.00 C ATOM 611 C ILE A 42 3.995 -6.393 0.156 1.00 0.00 C ATOM 612 O ILE A 42 2.886 -6.504 0.677 1.00 0.00 O ATOM 613 CB ILE A 42 4.365 -4.646 -1.588 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.881 -3.234 -1.869 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.887 -4.754 -1.934 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.214 -2.990 -3.324 1.00 0.00 C ATOM 0 H ILE A 42 6.622 -4.662 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 42 4.107 -4.280 0.522 1.00 0.00 H new ATOM 0 HB ILE A 42 4.918 -5.346 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.130 -2.511 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.771 -3.055 -1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.738 -4.488 -2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.548 -5.777 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.315 -4.075 -1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.574 -1.969 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.988 -3.689 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.321 -3.137 -3.931 1.00 0.00 H new ATOM 628 N GLU A 43 4.736 -7.437 -0.202 1.00 0.00 N ATOM 629 CA GLU A 43 4.274 -8.806 0.001 1.00 0.00 C ATOM 630 C GLU A 43 3.890 -9.039 1.459 1.00 0.00 C ATOM 631 O GLU A 43 3.097 -9.928 1.768 1.00 0.00 O ATOM 632 CB GLU A 43 5.359 -9.800 -0.417 1.00 0.00 C ATOM 633 CG GLU A 43 5.640 -9.802 -1.911 1.00 0.00 C ATOM 634 CD GLU A 43 4.664 -10.666 -2.687 1.00 0.00 C ATOM 635 OE1 GLU A 43 4.740 -11.906 -2.560 1.00 0.00 O ATOM 636 OE2 GLU A 43 3.826 -10.103 -3.421 1.00 0.00 O ATOM 0 H GLU A 43 5.657 -7.362 -0.633 1.00 0.00 H new ATOM 0 HA GLU A 43 3.391 -8.961 -0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.280 -9.566 0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.059 -10.802 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.593 -8.780 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.655 -10.160 -2.086 1.00 0.00 H new ATOM 643 N ALA A 44 4.458 -8.235 2.351 1.00 0.00 N ATOM 644 CA ALA A 44 4.174 -8.352 3.776 1.00 0.00 C ATOM 645 C ALA A 44 2.934 -7.551 4.157 1.00 0.00 C ATOM 646 O ALA A 44 1.932 -8.111 4.601 1.00 0.00 O ATOM 647 CB ALA A 44 5.373 -7.893 4.593 1.00 0.00 C ATOM 0 H ALA A 44 5.118 -7.495 2.112 1.00 0.00 H new ATOM 0 HA ALA A 44 3.978 -9.401 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.147 -7.986 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.237 -8.512 4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.596 -6.852 4.359 1.00 0.00 H new ATOM 653 N VAL A 45 3.008 -6.235 3.980 1.00 0.00 N ATOM 654 CA VAL A 45 1.891 -5.356 4.305 1.00 0.00 C ATOM 655 C VAL A 45 0.590 -5.877 3.705 1.00 0.00 C ATOM 656 O VAL A 45 -0.496 -5.582 4.203 1.00 0.00 O ATOM 657 CB VAL A 45 2.140 -3.923 3.800 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.077 -3.873 2.281 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.135 -2.960 4.415 1.00 0.00 C ATOM 0 H VAL A 45 3.830 -5.755 3.613 1.00 0.00 H new ATOM 0 HA VAL A 45 1.805 -5.340 5.392 1.00 0.00 H new ATOM 0 HB VAL A 45 3.139 -3.616 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.255 -2.852 1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.838 -4.532 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.092 -4.199 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.325 -1.952 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.125 -3.262 4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.234 -2.975 5.500 1.00 0.00 H new ATOM 669 N ALA A 46 0.708 -6.652 2.632 1.00 0.00 N ATOM 670 CA ALA A 46 -0.459 -7.216 1.965 1.00 0.00 C ATOM 671 C ALA A 46 -0.993 -8.426 2.722 1.00 0.00 C ATOM 672 O ALA A 46 -2.197 -8.548 2.950 1.00 0.00 O ATOM 673 CB ALA A 46 -0.115 -7.597 0.532 1.00 0.00 C ATOM 0 H ALA A 46 1.600 -6.904 2.206 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.240 -6.456 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.996 -8.017 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.212 -6.711 -0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.686 -8.337 0.534 1.00 0.00 H new ATOM 679 N THR A 47 -0.090 -9.322 3.110 1.00 0.00 N ATOM 680 CA THR A 47 -0.470 -10.524 3.840 1.00 0.00 C ATOM 681 C THR A 47 -0.920 -10.188 5.258 1.00 0.00 C ATOM 682 O THR A 47 -1.648 -10.955 5.886 1.00 0.00 O ATOM 683 CB THR A 47 0.693 -11.532 3.909 1.00 0.00 C ATOM 684 OG1 THR A 47 0.201 -12.822 4.287 1.00 0.00 O ATOM 685 CG2 THR A 47 1.748 -11.074 4.904 1.00 0.00 C ATOM 0 H THR A 47 0.910 -9.237 2.930 1.00 0.00 H new ATOM 0 HA THR A 47 -1.300 -10.974 3.295 1.00 0.00 H new ATOM 0 HB THR A 47 1.151 -11.593 2.922 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.946 -13.457 4.327 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.559 -11.802 4.935 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.142 -10.105 4.597 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.301 -10.987 5.894 1.00 0.00 H new ATOM 693 N GLU A 48 -0.481 -9.035 5.755 1.00 0.00 N ATOM 694 CA GLU A 48 -0.840 -8.598 7.099 1.00 0.00 C ATOM 695 C GLU A 48 -2.265 -8.053 7.132 1.00 0.00 C ATOM 696 O GLU A 48 -3.001 -8.266 8.097 1.00 0.00 O ATOM 697 CB GLU A 48 0.139 -7.529 7.589 1.00 0.00 C ATOM 698 CG GLU A 48 -0.354 -6.767 8.808 1.00 0.00 C ATOM 699 CD GLU A 48 -0.948 -7.678 9.865 1.00 0.00 C ATOM 700 OE1 GLU A 48 -0.301 -8.690 10.207 1.00 0.00 O ATOM 701 OE2 GLU A 48 -2.059 -7.380 10.349 1.00 0.00 O ATOM 0 H GLU A 48 0.123 -8.388 5.248 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.785 -9.462 7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.092 -8.002 7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.327 -6.822 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.475 -6.206 9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.104 -6.039 8.498 1.00 0.00 H new ATOM 708 N LEU A 49 -2.647 -7.350 6.072 1.00 0.00 N ATOM 709 CA LEU A 49 -3.984 -6.773 5.979 1.00 0.00 C ATOM 710 C LEU A 49 -4.942 -7.730 5.277 1.00 0.00 C ATOM 711 O LEU A 49 -6.155 -7.526 5.284 1.00 0.00 O ATOM 712 CB LEU A 49 -3.935 -5.441 5.228 1.00 0.00 C ATOM 713 CG LEU A 49 -3.172 -4.309 5.918 1.00 0.00 C ATOM 714 CD1 LEU A 49 -3.036 -3.113 4.990 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.868 -3.908 7.210 1.00 0.00 C ATOM 0 H LEU A 49 -2.051 -7.166 5.265 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.349 -6.599 6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.483 -5.614 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.958 -5.108 5.052 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.172 -4.667 6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.491 -2.318 5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.493 -3.409 4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.027 -2.753 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.312 -3.102 7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.880 -3.569 6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.912 -4.766 7.881 1.00 0.00 H new ATOM 727 N ASN A 50 -4.388 -8.776 4.673 1.00 0.00 N ATOM 728 CA ASN A 50 -5.194 -9.766 3.967 1.00 0.00 C ATOM 729 C ASN A 50 -5.937 -9.129 2.797 1.00 0.00 C ATOM 730 O ASN A 50 -7.124 -9.381 2.591 1.00 0.00 O ATOM 731 CB ASN A 50 -6.192 -10.418 4.926 1.00 0.00 C ATOM 732 CG ASN A 50 -5.518 -11.338 5.926 1.00 0.00 C ATOM 733 OD1 ASN A 50 -4.873 -12.317 5.549 1.00 0.00 O ATOM 734 ND2 ASN A 50 -5.664 -11.026 7.208 1.00 0.00 N ATOM 0 H ASN A 50 -3.385 -8.960 4.658 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.524 -10.531 3.575 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.737 -9.641 5.462 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.926 -10.985 4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.233 -11.607 7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.207 -10.205 7.474 1.00 0.00 H new ATOM 741 N VAL A 51 -5.229 -8.303 2.033 1.00 0.00 N ATOM 742 CA VAL A 51 -5.821 -7.631 0.882 1.00 0.00 C ATOM 743 C VAL A 51 -5.019 -7.905 -0.386 1.00 0.00 C ATOM 744 O VAL A 51 -3.829 -8.215 -0.325 1.00 0.00 O ATOM 745 CB VAL A 51 -5.907 -6.110 1.104 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.695 -5.798 2.367 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.514 -5.502 1.171 1.00 0.00 C ATOM 0 H VAL A 51 -4.245 -8.083 2.190 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.828 -8.031 0.765 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.432 -5.666 0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.745 -4.718 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.704 -6.199 2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.201 -6.253 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.594 -4.426 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.961 -5.950 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.988 -5.694 0.236 1.00 0.00 H new ATOM 757 N ASP A 52 -5.678 -7.787 -1.533 1.00 0.00 N ATOM 758 CA ASP A 52 -5.027 -8.019 -2.817 1.00 0.00 C ATOM 759 C ASP A 52 -3.765 -7.172 -2.947 1.00 0.00 C ATOM 760 O ASP A 52 -3.826 -5.942 -2.928 1.00 0.00 O ATOM 761 CB ASP A 52 -5.987 -7.705 -3.965 1.00 0.00 C ATOM 762 CG ASP A 52 -6.849 -8.895 -4.340 1.00 0.00 C ATOM 763 OD1 ASP A 52 -7.247 -9.650 -3.429 1.00 0.00 O ATOM 764 OD2 ASP A 52 -7.125 -9.071 -5.546 1.00 0.00 O ATOM 0 H ASP A 52 -6.663 -7.532 -1.600 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.745 -9.071 -2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.628 -6.871 -3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.415 -7.385 -4.836 1.00 0.00 H new ATOM 769 N CYS A 53 -2.623 -7.837 -3.079 1.00 0.00 N ATOM 770 CA CYS A 53 -1.345 -7.146 -3.211 1.00 0.00 C ATOM 771 C CYS A 53 -1.482 -5.916 -4.103 1.00 0.00 C ATOM 772 O CYS A 53 -0.874 -4.878 -3.843 1.00 0.00 O ATOM 773 CB CYS A 53 -0.287 -8.090 -3.782 1.00 0.00 C ATOM 774 SG CYS A 53 -0.746 -8.846 -5.359 1.00 0.00 S ATOM 0 H CYS A 53 -2.556 -8.855 -3.098 1.00 0.00 H new ATOM 0 HA CYS A 53 -1.032 -6.820 -2.219 1.00 0.00 H new ATOM 0 HB2 CYS A 53 0.644 -7.538 -3.913 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.090 -8.879 -3.057 1.00 0.00 H new ATOM 0 HG CYS A 53 0.213 -9.626 -5.762 1.00 0.00 H new ATOM 780 N GLU A 54 -2.284 -6.042 -5.156 1.00 0.00 N ATOM 781 CA GLU A 54 -2.498 -4.941 -6.088 1.00 0.00 C ATOM 782 C GLU A 54 -2.968 -3.689 -5.352 1.00 0.00 C ATOM 783 O GLU A 54 -2.489 -2.585 -5.615 1.00 0.00 O ATOM 784 CB GLU A 54 -3.525 -5.336 -7.152 1.00 0.00 C ATOM 785 CG GLU A 54 -3.338 -4.613 -8.475 1.00 0.00 C ATOM 786 CD GLU A 54 -4.411 -4.964 -9.487 1.00 0.00 C ATOM 787 OE1 GLU A 54 -5.567 -5.190 -9.071 1.00 0.00 O ATOM 788 OE2 GLU A 54 -4.096 -5.013 -10.695 1.00 0.00 O ATOM 0 H GLU A 54 -2.796 -6.894 -5.385 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.548 -4.721 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.464 -6.411 -7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.526 -5.130 -6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.346 -3.537 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.360 -4.863 -8.886 1.00 0.00 H new ATOM 795 N ILE A 55 -3.909 -3.869 -4.431 1.00 0.00 N ATOM 796 CA ILE A 55 -4.443 -2.756 -3.657 1.00 0.00 C ATOM 797 C ILE A 55 -3.322 -1.919 -3.051 1.00 0.00 C ATOM 798 O ILE A 55 -3.378 -0.689 -3.056 1.00 0.00 O ATOM 799 CB ILE A 55 -5.369 -3.247 -2.529 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.559 -4.012 -3.113 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.848 -2.073 -1.688 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.382 -4.736 -2.071 1.00 0.00 C ATOM 0 H ILE A 55 -4.317 -4.776 -4.203 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.020 -2.141 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.806 -3.924 -1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.201 -3.314 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.193 -4.735 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.502 -2.436 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.989 -1.567 -1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.397 -1.374 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.208 -5.256 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.755 -5.459 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.778 -4.016 -1.355 1.00 0.00 H new ATOM 814 N VAL A 56 -2.302 -2.595 -2.531 1.00 0.00 N ATOM 815 CA VAL A 56 -1.165 -1.914 -1.923 1.00 0.00 C ATOM 816 C VAL A 56 -0.232 -1.345 -2.987 1.00 0.00 C ATOM 817 O VAL A 56 -0.096 -0.128 -3.121 1.00 0.00 O ATOM 818 CB VAL A 56 -0.365 -2.863 -1.010 1.00 0.00 C ATOM 819 CG1 VAL A 56 0.899 -2.182 -0.508 1.00 0.00 C ATOM 820 CG2 VAL A 56 -1.226 -3.333 0.153 1.00 0.00 C ATOM 0 H VAL A 56 -2.240 -3.613 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.569 -1.098 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.071 -3.737 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.451 -2.868 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.522 -1.900 -1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.631 -1.290 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.646 -4.002 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.552 -2.472 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.098 -3.862 -0.231 1.00 0.00 H new ATOM 830 N ARG A 57 0.407 -2.232 -3.742 1.00 0.00 N ATOM 831 CA ARG A 57 1.327 -1.818 -4.794 1.00 0.00 C ATOM 832 C ARG A 57 0.781 -0.611 -5.550 1.00 0.00 C ATOM 833 O ARG A 57 1.508 0.343 -5.830 1.00 0.00 O ATOM 834 CB ARG A 57 1.577 -2.972 -5.766 1.00 0.00 C ATOM 835 CG ARG A 57 2.694 -3.906 -5.330 1.00 0.00 C ATOM 836 CD ARG A 57 3.053 -4.896 -6.427 1.00 0.00 C ATOM 837 NE ARG A 57 3.897 -4.291 -7.454 1.00 0.00 N ATOM 838 CZ ARG A 57 3.990 -4.755 -8.695 1.00 0.00 C ATOM 839 NH1 ARG A 57 3.295 -5.823 -9.062 1.00 0.00 N ATOM 840 NH2 ARG A 57 4.780 -4.150 -9.574 1.00 0.00 N ATOM 0 H ARG A 57 0.305 -3.242 -3.645 1.00 0.00 H new ATOM 0 HA ARG A 57 2.270 -1.536 -4.326 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.658 -3.547 -5.878 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.819 -2.563 -6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.575 -3.322 -5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.388 -4.448 -4.435 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.570 -5.750 -5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.140 -5.276 -6.885 1.00 0.00 H new ATOM 0 HE ARG A 57 4.445 -3.467 -7.205 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.686 -6.291 -8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.369 -6.177 -10.016 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.316 -3.328 -9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.851 -4.507 -10.527 1.00 0.00 H new ATOM 854 N THR A 58 -0.506 -0.658 -5.880 1.00 0.00 N ATOM 855 CA THR A 58 -1.150 0.430 -6.605 1.00 0.00 C ATOM 856 C THR A 58 -1.236 1.687 -5.747 1.00 0.00 C ATOM 857 O THR A 58 -1.040 2.799 -6.238 1.00 0.00 O ATOM 858 CB THR A 58 -2.568 0.037 -7.064 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.519 -1.178 -7.819 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.187 1.141 -7.908 1.00 0.00 C ATOM 0 H THR A 58 -1.123 -1.439 -5.656 1.00 0.00 H new ATOM 0 HA THR A 58 -0.535 0.633 -7.482 1.00 0.00 H new ATOM 0 HB THR A 58 -3.186 -0.112 -6.178 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.496 -1.943 -7.207 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.187 0.842 -8.221 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.249 2.057 -7.320 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.569 1.316 -8.788 1.00 0.00 H new ATOM 868 N TRP A 59 -1.529 1.504 -4.465 1.00 0.00 N ATOM 869 CA TRP A 59 -1.640 2.625 -3.539 1.00 0.00 C ATOM 870 C TRP A 59 -0.360 3.453 -3.531 1.00 0.00 C ATOM 871 O TRP A 59 -0.406 4.683 -3.493 1.00 0.00 O ATOM 872 CB TRP A 59 -1.943 2.120 -2.128 1.00 0.00 C ATOM 873 CG TRP A 59 -1.803 3.177 -1.075 1.00 0.00 C ATOM 874 CD1 TRP A 59 -2.747 4.087 -0.696 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.649 3.434 -0.267 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.250 4.895 0.298 1.00 0.00 N ATOM 877 CE2 TRP A 59 -0.965 4.514 0.580 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.620 2.856 -0.176 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.057 5.026 1.504 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.520 3.365 0.741 1.00 0.00 C ATOM 881 CH2 TRP A 59 1.178 4.440 1.571 1.00 0.00 C ATOM 0 H TRP A 59 -1.694 0.590 -4.043 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.460 3.260 -3.874 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.958 1.724 -2.102 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.272 1.293 -1.894 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.739 4.161 -1.116 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.756 5.655 0.752 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.893 2.026 -0.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.318 5.855 2.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.504 2.926 0.819 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.903 4.814 2.278 1.00 0.00 H new ATOM 892 N ILE A 60 0.781 2.772 -3.569 1.00 0.00 N ATOM 893 CA ILE A 60 2.073 3.447 -3.567 1.00 0.00 C ATOM 894 C ILE A 60 2.205 4.383 -4.763 1.00 0.00 C ATOM 895 O ILE A 60 2.308 5.599 -4.605 1.00 0.00 O ATOM 896 CB ILE A 60 3.235 2.437 -3.589 1.00 0.00 C ATOM 897 CG1 ILE A 60 3.163 1.517 -2.368 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.570 3.165 -3.632 1.00 0.00 C ATOM 899 CD1 ILE A 60 4.114 0.343 -2.439 1.00 0.00 C ATOM 0 H ILE A 60 0.837 1.754 -3.602 1.00 0.00 H new ATOM 0 HA ILE A 60 2.125 4.028 -2.646 1.00 0.00 H new ATOM 0 HB ILE A 60 3.148 1.826 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.382 2.098 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.144 1.143 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.381 2.437 -3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.619 3.782 -4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.668 3.799 -2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.008 -0.266 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.881 -0.261 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.138 0.708 -2.511 1.00 0.00 H new ATOM 911 N GLY A 61 2.201 3.808 -5.962 1.00 0.00 N ATOM 912 CA GLY A 61 2.320 4.605 -7.168 1.00 0.00 C ATOM 913 C GLY A 61 1.307 5.731 -7.221 1.00 0.00 C ATOM 914 O GLY A 61 1.630 6.848 -7.625 1.00 0.00 O ATOM 0 H GLY A 61 2.117 2.804 -6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.325 5.022 -7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.190 3.962 -8.039 1.00 0.00 H new ATOM 918 N ASN A 62 0.076 5.437 -6.813 1.00 0.00 N ATOM 919 CA ASN A 62 -0.989 6.434 -6.818 1.00 0.00 C ATOM 920 C ASN A 62 -0.644 7.603 -5.901 1.00 0.00 C ATOM 921 O ASN A 62 -0.627 8.757 -6.329 1.00 0.00 O ATOM 922 CB ASN A 62 -2.311 5.800 -6.380 1.00 0.00 C ATOM 923 CG ASN A 62 -3.513 6.473 -7.013 1.00 0.00 C ATOM 924 OD1 ASN A 62 -3.694 7.684 -6.893 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.341 5.687 -7.691 1.00 0.00 N ATOM 0 H ASN A 62 -0.208 4.518 -6.475 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.094 6.812 -7.835 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.309 4.743 -6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.396 5.857 -5.295 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.168 6.083 -8.139 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.150 4.688 -7.764 1.00 0.00 H new ATOM 932 N ARG A 63 -0.370 7.296 -4.637 1.00 0.00 N ATOM 933 CA ARG A 63 -0.026 8.321 -3.659 1.00 0.00 C ATOM 934 C ARG A 63 1.032 9.270 -4.215 1.00 0.00 C ATOM 935 O ARG A 63 0.781 10.463 -4.387 1.00 0.00 O ATOM 936 CB ARG A 63 0.482 7.675 -2.369 1.00 0.00 C ATOM 937 CG ARG A 63 0.257 8.528 -1.131 1.00 0.00 C ATOM 938 CD ARG A 63 1.142 8.081 0.022 1.00 0.00 C ATOM 939 NE ARG A 63 0.585 8.459 1.318 1.00 0.00 N ATOM 940 CZ ARG A 63 1.169 8.183 2.478 1.00 0.00 C ATOM 941 NH1 ARG A 63 2.323 7.530 2.504 1.00 0.00 N ATOM 942 NH2 ARG A 63 0.600 8.560 3.616 1.00 0.00 N ATOM 0 H ARG A 63 -0.380 6.346 -4.266 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.926 8.895 -3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.015 6.715 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.548 7.471 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.463 9.572 -1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.790 8.468 -0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.269 6.999 -0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.133 8.522 -0.089 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.302 8.963 1.333 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.764 7.239 1.632 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.770 7.319 3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.287 9.063 3.600 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.050 8.347 4.506 1.00 0.00 H new ATOM 956 N ARG A 64 2.215 8.732 -4.494 1.00 0.00 N ATOM 957 CA ARG A 64 3.311 9.531 -5.029 1.00 0.00 C ATOM 958 C ARG A 64 2.785 10.623 -5.955 1.00 0.00 C ATOM 959 O ARG A 64 3.240 11.766 -5.904 1.00 0.00 O ATOM 960 CB ARG A 64 4.299 8.640 -5.783 1.00 0.00 C ATOM 961 CG ARG A 64 4.948 7.576 -4.911 1.00 0.00 C ATOM 962 CD ARG A 64 6.259 7.091 -5.508 1.00 0.00 C ATOM 963 NE ARG A 64 6.110 6.688 -6.904 1.00 0.00 N ATOM 964 CZ ARG A 64 5.706 5.480 -7.281 1.00 0.00 C ATOM 965 NH1 ARG A 64 5.413 4.561 -6.371 1.00 0.00 N ATOM 966 NH2 ARG A 64 5.594 5.189 -8.571 1.00 0.00 N ATOM 0 H ARG A 64 2.439 7.746 -4.358 1.00 0.00 H new ATOM 0 HA ARG A 64 3.825 10.004 -4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.780 8.154 -6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.078 9.265 -6.220 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.128 7.980 -3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.266 6.734 -4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.004 7.883 -5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.633 6.249 -4.926 1.00 0.00 H new ATOM 0 HE ARG A 64 6.328 7.372 -7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.498 4.781 -5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.103 3.634 -6.663 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.818 5.893 -9.274 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.284 4.261 -8.859 1.00 0.00 H new ATOM 980 N ARG A 65 1.826 10.263 -6.802 1.00 0.00 N ATOM 981 CA ARG A 65 1.240 11.212 -7.741 1.00 0.00 C ATOM 982 C ARG A 65 0.362 12.226 -7.014 1.00 0.00 C ATOM 983 O ARG A 65 0.540 13.435 -7.159 1.00 0.00 O ATOM 984 CB ARG A 65 0.417 10.473 -8.798 1.00 0.00 C ATOM 985 CG ARG A 65 -0.512 11.380 -9.589 1.00 0.00 C ATOM 986 CD ARG A 65 -1.871 11.508 -8.918 1.00 0.00 C ATOM 987 NE ARG A 65 -2.926 11.829 -9.875 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.214 11.587 -9.658 1.00 0.00 C ATOM 989 NH1 ARG A 65 -4.603 11.024 -8.523 1.00 0.00 N ATOM 990 NH2 ARG A 65 -5.115 11.908 -10.578 1.00 0.00 N ATOM 0 H ARG A 65 1.438 9.321 -6.857 1.00 0.00 H new ATOM 0 HA ARG A 65 2.052 11.748 -8.232 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.095 9.970 -9.488 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.174 9.698 -8.310 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.060 12.367 -9.689 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.638 10.984 -10.596 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.114 10.575 -8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.826 12.284 -8.154 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.659 12.263 -10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.913 10.776 -7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.592 10.839 -8.358 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.819 12.341 -11.453 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.104 11.722 -10.410 1.00 0.00 H new ATOM 1004 N LYS A 66 -0.586 11.724 -6.230 1.00 0.00 N ATOM 1005 CA LYS A 66 -1.492 12.584 -5.478 1.00 0.00 C ATOM 1006 C LYS A 66 -0.726 13.702 -4.778 1.00 0.00 C ATOM 1007 O LYS A 66 -1.182 14.844 -4.729 1.00 0.00 O ATOM 1008 CB LYS A 66 -2.272 11.763 -4.449 1.00 0.00 C ATOM 1009 CG LYS A 66 -3.580 11.204 -4.980 1.00 0.00 C ATOM 1010 CD LYS A 66 -4.471 10.706 -3.855 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.918 10.574 -4.307 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.077 9.537 -5.364 1.00 0.00 N ATOM 0 H LYS A 66 -0.747 10.725 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.193 13.033 -6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.647 10.938 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.480 12.388 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.103 11.975 -5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.374 10.387 -5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.109 9.740 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.413 11.394 -3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.544 10.319 -3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.269 11.534 -4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.077 9.478 -5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.500 9.792 -6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.766 8.615 -4.996 1.00 0.00 H new ATOM 1026 N TYR A 67 0.440 13.365 -4.239 1.00 0.00 N ATOM 1027 CA TYR A 67 1.269 14.341 -3.541 1.00 0.00 C ATOM 1028 C TYR A 67 1.799 15.396 -4.507 1.00 0.00 C ATOM 1029 O TYR A 67 1.623 16.595 -4.291 1.00 0.00 O ATOM 1030 CB TYR A 67 2.436 13.642 -2.841 1.00 0.00 C ATOM 1031 CG TYR A 67 2.087 13.106 -1.471 1.00 0.00 C ATOM 1032 CD1 TYR A 67 1.090 12.152 -1.310 1.00 0.00 C ATOM 1033 CD2 TYR A 67 2.756 13.552 -0.338 1.00 0.00 C ATOM 1034 CE1 TYR A 67 0.768 11.660 -0.060 1.00 0.00 C ATOM 1035 CE2 TYR A 67 2.441 13.065 0.916 1.00 0.00 C ATOM 1036 CZ TYR A 67 1.446 12.119 1.049 1.00 0.00 C ATOM 1037 OH TYR A 67 1.129 11.631 2.296 1.00 0.00 O ATOM 0 H TYR A 67 0.833 12.424 -4.272 1.00 0.00 H new ATOM 0 HA TYR A 67 0.650 14.837 -2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.784 12.819 -3.466 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.265 14.343 -2.747 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.558 11.789 -2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.536 14.292 -0.439 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.011 10.920 0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.971 13.423 1.787 1.00 0.00 H new ATOM 0 HH TYR A 67 1.700 12.057 2.969 1.00 0.00 H new ATOM 1047 N ARG A 68 2.448 14.940 -5.573 1.00 0.00 N ATOM 1048 CA ARG A 68 3.005 15.844 -6.573 1.00 0.00 C ATOM 1049 C ARG A 68 1.973 16.882 -7.002 1.00 0.00 C ATOM 1050 O ARG A 68 2.310 18.039 -7.259 1.00 0.00 O ATOM 1051 CB ARG A 68 3.488 15.055 -7.792 1.00 0.00 C ATOM 1052 CG ARG A 68 3.845 15.931 -8.981 1.00 0.00 C ATOM 1053 CD ARG A 68 5.256 16.485 -8.861 1.00 0.00 C ATOM 1054 NE ARG A 68 5.701 17.122 -10.097 1.00 0.00 N ATOM 1055 CZ ARG A 68 5.241 18.291 -10.529 1.00 0.00 C ATOM 1056 NH1 ARG A 68 4.328 18.948 -9.827 1.00 0.00 N ATOM 1057 NH2 ARG A 68 5.696 18.806 -11.664 1.00 0.00 N ATOM 0 H ARG A 68 2.601 13.950 -5.767 1.00 0.00 H new ATOM 0 HA ARG A 68 3.853 16.363 -6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.361 14.466 -7.510 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.711 14.351 -8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.757 15.352 -9.900 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.135 16.754 -9.054 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.293 17.209 -8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.941 15.678 -8.602 1.00 0.00 H new ATOM 0 HE ARG A 68 6.404 16.643 -10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.977 18.556 -8.953 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.976 19.845 -10.161 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.400 18.304 -12.206 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.342 19.704 -11.995 1.00 0.00 H new ATOM 1071 N LEU A 69 0.715 16.462 -7.077 1.00 0.00 N ATOM 1072 CA LEU A 69 -0.368 17.356 -7.476 1.00 0.00 C ATOM 1073 C LEU A 69 -0.448 18.562 -6.546 1.00 0.00 C ATOM 1074 O LEU A 69 -0.510 19.704 -6.999 1.00 0.00 O ATOM 1075 CB LEU A 69 -1.701 16.606 -7.474 1.00 0.00 C ATOM 1076 CG LEU A 69 -2.092 15.928 -8.787 1.00 0.00 C ATOM 1077 CD1 LEU A 69 -1.009 14.956 -9.230 1.00 0.00 C ATOM 1078 CD2 LEU A 69 -3.427 15.212 -8.642 1.00 0.00 C ATOM 0 H LEU A 69 0.419 15.509 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.160 17.712 -8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.667 15.847 -6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.489 17.308 -7.202 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.196 16.697 -9.553 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.305 14.483 -10.166 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.073 15.496 -9.376 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.871 14.192 -8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.689 14.735 -9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.351 14.454 -7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.199 15.933 -8.373 1.00 0.00 H new ATOM 1090 N MET A 70 -0.445 18.299 -5.243 1.00 0.00 N ATOM 1091 CA MET A 70 -0.514 19.364 -4.249 1.00 0.00 C ATOM 1092 C MET A 70 0.756 20.209 -4.268 1.00 0.00 C ATOM 1093 O MET A 70 0.742 21.376 -3.880 1.00 0.00 O ATOM 1094 CB MET A 70 -0.728 18.776 -2.853 1.00 0.00 C ATOM 1095 CG MET A 70 -1.806 17.705 -2.804 1.00 0.00 C ATOM 1096 SD MET A 70 -2.074 17.064 -1.140 1.00 0.00 S ATOM 1097 CE MET A 70 -0.548 16.166 -0.874 1.00 0.00 C ATOM 0 H MET A 70 -0.396 17.359 -4.851 1.00 0.00 H new ATOM 0 HA MET A 70 -1.360 20.005 -4.499 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.211 18.351 -2.499 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.994 19.579 -2.166 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.740 18.118 -3.185 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.527 16.884 -3.465 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.191 16.347 0.140 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.725 15.099 -1.012 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.203 16.505 -1.588 1.00 0.00 H new ATOM 1107 N GLY A 71 1.853 19.610 -4.722 1.00 0.00 N ATOM 1108 CA GLY A 71 3.116 20.323 -4.782 1.00 0.00 C ATOM 1109 C GLY A 71 4.285 19.469 -4.333 1.00 0.00 C ATOM 1110 O GLY A 71 5.417 19.675 -4.771 1.00 0.00 O ATOM 0 H GLY A 71 1.890 18.645 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.290 20.663 -5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.058 21.213 -4.155 1.00 0.00 H new ATOM 1114 N ILE A 72 4.013 18.509 -3.456 1.00 0.00 N ATOM 1115 CA ILE A 72 5.051 17.621 -2.948 1.00 0.00 C ATOM 1116 C ILE A 72 5.536 16.665 -4.032 1.00 0.00 C ATOM 1117 O ILE A 72 4.952 15.602 -4.242 1.00 0.00 O ATOM 1118 CB ILE A 72 4.552 16.803 -1.743 1.00 0.00 C ATOM 1119 CG1 ILE A 72 4.084 17.736 -0.624 1.00 0.00 C ATOM 1120 CG2 ILE A 72 5.649 15.875 -1.242 1.00 0.00 C ATOM 1121 CD1 ILE A 72 3.274 17.037 0.446 1.00 0.00 C ATOM 0 H ILE A 72 3.082 18.326 -3.082 1.00 0.00 H new ATOM 0 HA ILE A 72 5.879 18.254 -2.629 1.00 0.00 H new ATOM 0 HB ILE A 72 3.705 16.195 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.955 18.202 -0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.485 18.537 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.281 15.303 -0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.939 15.191 -2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.513 16.465 -0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.976 17.759 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.385 16.594 -0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.877 16.254 0.906 1.00 0.00 H new ATOM 1133 N GLU A 73 6.609 17.050 -4.717 1.00 0.00 N ATOM 1134 CA GLU A 73 7.173 16.225 -5.779 1.00 0.00 C ATOM 1135 C GLU A 73 7.993 15.076 -5.198 1.00 0.00 C ATOM 1136 O GLU A 73 9.042 15.292 -4.591 1.00 0.00 O ATOM 1137 CB GLU A 73 8.047 17.073 -6.704 1.00 0.00 C ATOM 1138 CG GLU A 73 9.000 17.997 -5.963 1.00 0.00 C ATOM 1139 CD GLU A 73 8.384 19.348 -5.658 1.00 0.00 C ATOM 1140 OE1 GLU A 73 7.995 20.051 -6.614 1.00 0.00 O ATOM 1141 OE2 GLU A 73 8.291 19.703 -4.465 1.00 0.00 O ATOM 0 H GLU A 73 7.104 17.927 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 73 6.348 15.805 -6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.624 16.412 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.404 17.670 -7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.308 17.523 -5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.900 18.139 -6.561 1.00 0.00 H new ATOM 1148 N VAL A 74 7.506 13.854 -5.389 1.00 0.00 N ATOM 1149 CA VAL A 74 8.193 12.670 -4.886 1.00 0.00 C ATOM 1150 C VAL A 74 8.343 11.617 -5.977 1.00 0.00 C ATOM 1151 O VAL A 74 7.391 11.310 -6.694 1.00 0.00 O ATOM 1152 CB VAL A 74 7.443 12.052 -3.690 1.00 0.00 C ATOM 1153 CG1 VAL A 74 6.157 11.385 -4.154 1.00 0.00 C ATOM 1154 CG2 VAL A 74 8.335 11.061 -2.958 1.00 0.00 C ATOM 0 H VAL A 74 6.638 13.658 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 74 9.181 12.992 -4.558 1.00 0.00 H new ATOM 0 HB VAL A 74 7.179 12.850 -2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.641 10.954 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.514 12.126 -4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.393 10.597 -4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.790 10.634 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.631 10.264 -3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 74 9.224 11.574 -2.592 1.00 0.00 H new ATOM 1164 N SER A 75 9.546 11.064 -6.097 1.00 0.00 N ATOM 1165 CA SER A 75 9.823 10.046 -7.103 1.00 0.00 C ATOM 1166 C SER A 75 10.089 8.694 -6.449 1.00 0.00 C ATOM 1167 O SER A 75 9.439 7.699 -6.768 1.00 0.00 O ATOM 1168 CB SER A 75 11.024 10.457 -7.958 1.00 0.00 C ATOM 1169 OG SER A 75 11.427 9.401 -8.813 1.00 0.00 O ATOM 0 H SER A 75 10.344 11.304 -5.510 1.00 0.00 H new ATOM 0 HA SER A 75 8.945 9.954 -7.742 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.768 11.333 -8.553 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.854 10.742 -7.312 1.00 0.00 H new ATOM 0 HG SER A 75 12.195 9.689 -9.350 1.00 0.00 H new ATOM 1175 N GLY A 76 11.051 8.666 -5.531 1.00 0.00 N ATOM 1176 CA GLY A 76 11.387 7.432 -4.846 1.00 0.00 C ATOM 1177 C GLY A 76 11.845 7.666 -3.420 1.00 0.00 C ATOM 1178 O GLY A 76 11.548 8.694 -2.811 1.00 0.00 O ATOM 0 H GLY A 76 11.603 9.476 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.518 6.774 -4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.174 6.917 -5.397 1.00 0.00 H new ATOM 1182 N PRO A 77 12.587 6.696 -2.866 1.00 0.00 N ATOM 1183 CA PRO A 77 13.102 6.778 -1.496 1.00 0.00 C ATOM 1184 C PRO A 77 14.195 7.831 -1.350 1.00 0.00 C ATOM 1185 O PRO A 77 14.674 8.093 -0.246 1.00 0.00 O ATOM 1186 CB PRO A 77 13.670 5.379 -1.246 1.00 0.00 C ATOM 1187 CG PRO A 77 14.004 4.858 -2.601 1.00 0.00 C ATOM 1188 CD PRO A 77 12.980 5.443 -3.534 1.00 0.00 C ATOM 0 HA PRO A 77 12.328 7.071 -0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 77 14.553 5.418 -0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.943 4.740 -0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 77 15.012 5.152 -2.894 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.971 3.769 -2.619 1.00 0.00 H new ATOM 0 HD2 PRO A 77 13.398 5.629 -4.524 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.129 4.775 -3.667 1.00 0.00 H new ATOM 1196 N SER A 78 14.584 8.432 -2.469 1.00 0.00 N ATOM 1197 CA SER A 78 15.624 9.455 -2.466 1.00 0.00 C ATOM 1198 C SER A 78 15.171 10.687 -1.688 1.00 0.00 C ATOM 1199 O SER A 78 14.296 11.429 -2.133 1.00 0.00 O ATOM 1200 CB SER A 78 15.987 9.848 -3.899 1.00 0.00 C ATOM 1201 OG SER A 78 14.913 10.525 -4.530 1.00 0.00 O ATOM 0 H SER A 78 14.195 8.229 -3.390 1.00 0.00 H new ATOM 0 HA SER A 78 16.505 9.041 -1.976 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.870 10.487 -3.892 1.00 0.00 H new ATOM 0 HB3 SER A 78 16.244 8.956 -4.470 1.00 0.00 H new ATOM 0 HG SER A 78 14.347 10.947 -3.850 1.00 0.00 H new ATOM 1207 N SER A 79 15.774 10.898 -0.522 1.00 0.00 N ATOM 1208 CA SER A 79 15.432 12.037 0.321 1.00 0.00 C ATOM 1209 C SER A 79 16.409 12.164 1.486 1.00 0.00 C ATOM 1210 O SER A 79 16.940 11.169 1.977 1.00 0.00 O ATOM 1211 CB SER A 79 14.004 11.894 0.852 1.00 0.00 C ATOM 1212 OG SER A 79 13.726 12.873 1.838 1.00 0.00 O ATOM 0 H SER A 79 16.502 10.294 -0.140 1.00 0.00 H new ATOM 0 HA SER A 79 15.498 12.940 -0.286 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.295 11.990 0.029 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.868 10.899 1.275 1.00 0.00 H new ATOM 0 HG SER A 79 12.807 12.761 2.160 1.00 0.00 H new ATOM 1218 N GLY A 80 16.641 13.398 1.923 1.00 0.00 N ATOM 1219 CA GLY A 80 17.554 13.634 3.026 1.00 0.00 C ATOM 1220 C GLY A 80 16.954 14.526 4.095 1.00 0.00 C ATOM 1221 O GLY A 80 15.739 14.723 4.138 1.00 0.00 O ATOM 0 H GLY A 80 16.213 14.238 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.837 12.680 3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.467 14.092 2.646 1.00 0.00 H new TER 1225 GLY A 80