USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 564 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+ 151:sc= 0.00608 (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 14:sc= 0.0632 USER MOD Single : A 14 CYS SG : rot -69:sc= -5.9! USER MOD Single : A 22 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.1!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.039 X(o=-0.039,f=-0.24) USER MOD Single : A 36 SER OG : rot 42:sc= 0.324 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -173:sc= -2.58! USER MOD Single : A 49 HIS : no HD1:sc= -0.221 K(o=-0.22,f=-1.2) USER MOD Single : A 50 TYR OH : rot 136:sc= 0.12 USER MOD Single : A 54 ASN : amide:sc= -0.306 K(o=-0.31,f=-0.81) USER MOD Single : A 62 THR OG1 : rot -160:sc= -0.523 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.142 F(o=-0.96,f=-0.14) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -148:sc= -0.0337 (180deg=-0.876) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.245 -10.270 6.846 1.00 0.00 N ATOM 2 CA GLY A 1 28.369 -10.306 5.689 1.00 0.00 C ATOM 3 C GLY A 1 27.068 -9.547 5.960 1.00 0.00 C ATOM 4 O GLY A 1 26.492 -9.665 7.041 1.00 0.00 O ATOM 0 H1 GLY A 1 29.837 -11.125 6.860 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.853 -9.428 6.795 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.673 -10.231 7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.877 -9.868 4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.143 -11.341 5.432 1.00 0.00 H new ATOM 8 N SER A 2 26.645 -8.785 4.963 1.00 0.00 N ATOM 9 CA SER A 2 25.424 -8.007 5.082 1.00 0.00 C ATOM 10 C SER A 2 24.521 -8.263 3.874 1.00 0.00 C ATOM 11 O SER A 2 24.997 -8.660 2.812 1.00 0.00 O ATOM 12 CB SER A 2 25.731 -6.513 5.208 1.00 0.00 C ATOM 13 OG SER A 2 25.646 -6.062 6.556 1.00 0.00 O ATOM 0 H SER A 2 27.126 -8.690 4.069 1.00 0.00 H new ATOM 0 HA SER A 2 24.906 -8.321 5.988 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.731 -6.315 4.822 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.033 -5.946 4.592 1.00 0.00 H new ATOM 0 HG SER A 2 25.850 -5.104 6.594 1.00 0.00 H new ATOM 18 N SER A 3 23.233 -8.026 4.077 1.00 0.00 N ATOM 19 CA SER A 3 22.258 -8.226 3.017 1.00 0.00 C ATOM 20 C SER A 3 20.926 -7.579 3.402 1.00 0.00 C ATOM 21 O SER A 3 20.414 -7.808 4.497 1.00 0.00 O ATOM 22 CB SER A 3 22.062 -9.714 2.725 1.00 0.00 C ATOM 23 OG SER A 3 21.872 -9.965 1.334 1.00 0.00 O ATOM 0 H SER A 3 22.842 -7.697 4.960 1.00 0.00 H new ATOM 0 HA SER A 3 22.635 -7.752 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.930 -10.270 3.078 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.200 -10.082 3.281 1.00 0.00 H new ATOM 0 HG SER A 3 21.752 -10.927 1.189 1.00 0.00 H new ATOM 28 N GLY A 4 20.404 -6.783 2.481 1.00 0.00 N ATOM 29 CA GLY A 4 19.142 -6.102 2.709 1.00 0.00 C ATOM 30 C GLY A 4 18.052 -6.640 1.780 1.00 0.00 C ATOM 31 O GLY A 4 18.270 -7.611 1.058 1.00 0.00 O ATOM 0 H GLY A 4 20.833 -6.595 1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.837 -6.233 3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.268 -5.032 2.546 1.00 0.00 H new ATOM 35 N SER A 5 16.900 -5.985 1.830 1.00 0.00 N ATOM 36 CA SER A 5 15.776 -6.386 1.002 1.00 0.00 C ATOM 37 C SER A 5 14.774 -5.235 0.888 1.00 0.00 C ATOM 38 O SER A 5 14.801 -4.302 1.689 1.00 0.00 O ATOM 39 CB SER A 5 15.091 -7.632 1.568 1.00 0.00 C ATOM 40 OG SER A 5 14.397 -8.364 0.562 1.00 0.00 O ATOM 0 H SER A 5 16.722 -5.180 2.431 1.00 0.00 H new ATOM 0 HA SER A 5 16.153 -6.632 0.009 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.837 -8.275 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.391 -7.337 2.350 1.00 0.00 H new ATOM 0 HG SER A 5 13.975 -9.152 0.963 1.00 0.00 H new ATOM 45 N SER A 6 13.914 -5.339 -0.115 1.00 0.00 N ATOM 46 CA SER A 6 12.905 -4.318 -0.345 1.00 0.00 C ATOM 47 C SER A 6 11.615 -4.964 -0.853 1.00 0.00 C ATOM 48 O SER A 6 11.643 -5.776 -1.776 1.00 0.00 O ATOM 49 CB SER A 6 13.401 -3.268 -1.340 1.00 0.00 C ATOM 50 OG SER A 6 14.280 -2.327 -0.730 1.00 0.00 O ATOM 0 H SER A 6 13.895 -6.114 -0.777 1.00 0.00 H new ATOM 0 HA SER A 6 12.704 -3.815 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.915 -3.763 -2.163 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.547 -2.742 -1.768 1.00 0.00 H new ATOM 0 HG SER A 6 14.560 -2.662 0.147 1.00 0.00 H new ATOM 55 N GLY A 7 10.512 -4.578 -0.227 1.00 0.00 N ATOM 56 CA GLY A 7 9.213 -5.108 -0.605 1.00 0.00 C ATOM 57 C GLY A 7 9.303 -6.600 -0.929 1.00 0.00 C ATOM 58 O GLY A 7 8.884 -7.033 -2.003 1.00 0.00 O ATOM 0 H GLY A 7 10.492 -3.905 0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.502 -4.951 0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.833 -4.566 -1.471 1.00 0.00 H new ATOM 62 N GLY A 8 9.852 -7.348 0.017 1.00 0.00 N ATOM 63 CA GLY A 8 10.003 -8.782 -0.155 1.00 0.00 C ATOM 64 C GLY A 8 8.804 -9.375 -0.897 1.00 0.00 C ATOM 65 O GLY A 8 8.867 -9.605 -2.105 1.00 0.00 O ATOM 0 H GLY A 8 10.198 -6.987 0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.918 -8.991 -0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.105 -9.260 0.819 1.00 0.00 H new ATOM 69 N GLU A 9 7.738 -9.606 -0.144 1.00 0.00 N ATOM 70 CA GLU A 9 6.526 -10.167 -0.716 1.00 0.00 C ATOM 71 C GLU A 9 5.297 -9.428 -0.182 1.00 0.00 C ATOM 72 O GLU A 9 5.166 -9.223 1.024 1.00 0.00 O ATOM 73 CB GLU A 9 6.430 -11.667 -0.431 1.00 0.00 C ATOM 74 CG GLU A 9 5.855 -11.925 0.963 1.00 0.00 C ATOM 75 CD GLU A 9 6.383 -13.242 1.538 1.00 0.00 C ATOM 76 OE1 GLU A 9 6.315 -14.250 0.802 1.00 0.00 O ATOM 77 OE2 GLU A 9 6.841 -13.210 2.699 1.00 0.00 O ATOM 0 H GLU A 9 7.689 -9.415 0.857 1.00 0.00 H new ATOM 0 HA GLU A 9 6.563 -10.037 -1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.800 -12.144 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.418 -12.120 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.119 -11.102 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.767 -11.957 0.911 1.00 0.00 H new ATOM 82 N ILE A 10 4.427 -9.048 -1.107 1.00 0.00 N ATOM 83 CA ILE A 10 3.213 -8.337 -0.745 1.00 0.00 C ATOM 84 C ILE A 10 2.286 -9.277 0.027 1.00 0.00 C ATOM 85 O ILE A 10 1.754 -10.232 -0.538 1.00 0.00 O ATOM 86 CB ILE A 10 2.566 -7.715 -1.985 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.302 -6.443 -2.410 1.00 0.00 C ATOM 88 CG2 ILE A 10 1.074 -7.465 -1.757 1.00 0.00 C ATOM 89 CD1 ILE A 10 2.989 -5.286 -1.459 1.00 0.00 C ATOM 0 H ILE A 10 4.539 -9.219 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 10 3.444 -7.503 -0.082 1.00 0.00 H new ATOM 0 HB ILE A 10 2.652 -8.425 -2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.376 -6.627 -2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.012 -6.173 -3.425 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.638 -7.023 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.576 -8.410 -1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.944 -6.784 -0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.524 -4.394 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.917 -5.089 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.302 -5.550 -0.449 1.00 0.00 H new ATOM 100 N ILE A 11 2.121 -8.976 1.306 1.00 0.00 N ATOM 101 CA ILE A 11 1.267 -9.783 2.162 1.00 0.00 C ATOM 102 C ILE A 11 0.070 -8.947 2.615 1.00 0.00 C ATOM 103 O ILE A 11 0.017 -7.743 2.364 1.00 0.00 O ATOM 104 CB ILE A 11 2.075 -10.378 3.317 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.471 -9.296 4.324 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.290 -11.149 2.797 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.306 -8.964 5.259 1.00 0.00 C ATOM 0 H ILE A 11 2.564 -8.184 1.771 1.00 0.00 H new ATOM 0 HA ILE A 11 0.870 -10.635 1.610 1.00 0.00 H new ATOM 0 HB ILE A 11 1.442 -11.092 3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.326 -9.634 4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.783 -8.397 3.793 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.847 -11.561 3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.956 -11.960 2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.934 -10.475 2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.614 -8.192 5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.461 -8.603 4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.012 -9.860 5.806 1.00 0.00 H new ATOM 118 N GLU A 12 -0.863 -9.617 3.275 1.00 0.00 N ATOM 119 CA GLU A 12 -2.058 -8.950 3.767 1.00 0.00 C ATOM 120 C GLU A 12 -1.723 -8.099 4.993 1.00 0.00 C ATOM 121 O GLU A 12 -1.197 -8.607 5.982 1.00 0.00 O ATOM 122 CB GLU A 12 -3.159 -9.963 4.085 1.00 0.00 C ATOM 123 CG GLU A 12 -3.537 -10.770 2.843 1.00 0.00 C ATOM 124 CD GLU A 12 -4.495 -11.909 3.200 1.00 0.00 C ATOM 125 OE1 GLU A 12 -4.193 -12.617 4.185 1.00 0.00 O ATOM 126 OE2 GLU A 12 -5.509 -12.045 2.479 1.00 0.00 O ATOM 0 H GLU A 12 -0.816 -10.615 3.481 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.433 -8.291 2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.821 -10.637 4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.038 -9.443 4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.003 -10.115 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.637 -11.178 2.382 1.00 0.00 H new ATOM 131 N GLY A 13 -2.043 -6.817 4.889 1.00 0.00 N ATOM 132 CA GLY A 13 -1.784 -5.890 5.979 1.00 0.00 C ATOM 133 C GLY A 13 -0.819 -4.786 5.540 1.00 0.00 C ATOM 134 O GLY A 13 -0.847 -3.681 6.082 1.00 0.00 O ATOM 0 H GLY A 13 -2.479 -6.398 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.721 -5.447 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.364 -6.429 6.828 1.00 0.00 H new ATOM 138 N CYS A 14 0.011 -5.122 4.563 1.00 0.00 N ATOM 139 CA CYS A 14 0.982 -4.173 4.047 1.00 0.00 C ATOM 140 C CYS A 14 0.241 -2.890 3.661 1.00 0.00 C ATOM 141 O CYS A 14 -0.836 -2.946 3.069 1.00 0.00 O ATOM 142 CB CYS A 14 1.769 -4.753 2.870 1.00 0.00 C ATOM 143 SG CYS A 14 3.099 -5.848 3.487 1.00 0.00 S ATOM 0 H CYS A 14 0.031 -6.038 4.115 1.00 0.00 H new ATOM 0 HA CYS A 14 1.720 -3.948 4.817 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.101 -5.312 2.215 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.197 -3.946 2.275 1.00 0.00 H new ATOM 0 HG CYS A 14 4.002 -5.135 4.093 1.00 0.00 H new ATOM 148 N ARG A 15 0.849 -1.766 4.011 1.00 0.00 N ATOM 149 CA ARG A 15 0.261 -0.473 3.708 1.00 0.00 C ATOM 150 C ARG A 15 1.152 0.301 2.733 1.00 0.00 C ATOM 151 O ARG A 15 2.313 0.577 3.032 1.00 0.00 O ATOM 152 CB ARG A 15 0.070 0.356 4.979 1.00 0.00 C ATOM 153 CG ARG A 15 -1.408 0.432 5.367 1.00 0.00 C ATOM 154 CD ARG A 15 -1.596 1.227 6.661 1.00 0.00 C ATOM 155 NE ARG A 15 -1.414 0.340 7.832 1.00 0.00 N ATOM 156 CZ ARG A 15 -0.232 0.100 8.417 1.00 0.00 C ATOM 157 NH1 ARG A 15 0.879 0.681 7.945 1.00 0.00 N ATOM 158 NH2 ARG A 15 -0.163 -0.719 9.475 1.00 0.00 N ATOM 0 H ARG A 15 1.742 -1.724 4.501 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.713 -0.651 3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.642 -0.086 5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.461 1.362 4.824 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.975 0.901 4.563 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.807 -0.575 5.493 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.879 2.047 6.701 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.591 1.672 6.683 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.240 -0.117 8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.825 1.306 7.141 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.778 0.498 8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.010 -1.160 9.835 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.736 -0.902 9.921 1.00 0.00 H new ATOM 169 N LEU A 16 0.574 0.627 1.586 1.00 0.00 N ATOM 170 CA LEU A 16 1.301 1.363 0.565 1.00 0.00 C ATOM 171 C LEU A 16 0.329 2.269 -0.192 1.00 0.00 C ATOM 172 O LEU A 16 -0.870 2.001 -0.236 1.00 0.00 O ATOM 173 CB LEU A 16 2.076 0.402 -0.337 1.00 0.00 C ATOM 174 CG LEU A 16 1.554 -1.036 -0.392 1.00 0.00 C ATOM 175 CD1 LEU A 16 0.025 -1.063 -0.439 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.177 -1.801 -1.562 1.00 0.00 C ATOM 0 H LEU A 16 -0.389 0.395 1.341 1.00 0.00 H new ATOM 0 HA LEU A 16 2.051 2.010 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.076 0.806 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.113 0.378 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 16 1.857 -1.545 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.320 -2.096 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.375 -0.580 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.321 -0.532 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.789 -2.820 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.926 -1.302 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.260 -1.827 -1.444 1.00 0.00 H new ATOM 187 N PRO A 17 0.899 3.354 -0.786 1.00 0.00 N ATOM 188 CA PRO A 17 0.095 4.302 -1.540 1.00 0.00 C ATOM 189 C PRO A 17 -0.303 3.724 -2.899 1.00 0.00 C ATOM 190 O PRO A 17 0.533 3.592 -3.792 1.00 0.00 O ATOM 191 CB PRO A 17 0.961 5.546 -1.654 1.00 0.00 C ATOM 192 CG PRO A 17 2.384 5.092 -1.368 1.00 0.00 C ATOM 193 CD PRO A 17 2.315 3.703 -0.755 1.00 0.00 C ATOM 0 HA PRO A 17 -0.851 4.534 -1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.884 5.986 -2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.644 6.309 -0.943 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.971 5.075 -2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.877 5.786 -0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.911 2.989 -1.324 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.701 3.700 0.264 1.00 0.00 H new ATOM 198 N VAL A 18 -1.582 3.394 -3.014 1.00 0.00 N ATOM 199 CA VAL A 18 -2.102 2.833 -4.249 1.00 0.00 C ATOM 200 C VAL A 18 -2.667 3.959 -5.117 1.00 0.00 C ATOM 201 O VAL A 18 -3.514 4.730 -4.666 1.00 0.00 O ATOM 202 CB VAL A 18 -3.129 1.744 -3.937 1.00 0.00 C ATOM 203 CG1 VAL A 18 -3.912 1.353 -5.193 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.461 0.523 -3.305 1.00 0.00 C ATOM 0 H VAL A 18 -2.273 3.505 -2.272 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.305 2.354 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.836 2.149 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.636 0.577 -4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.436 2.226 -5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.223 0.977 -5.949 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.215 -0.235 -3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.720 0.116 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.971 0.816 -2.377 1.00 0.00 H new ATOM 214 N LEU A 19 -2.177 4.019 -6.346 1.00 0.00 N ATOM 215 CA LEU A 19 -2.623 5.038 -7.281 1.00 0.00 C ATOM 216 C LEU A 19 -4.142 5.189 -7.177 1.00 0.00 C ATOM 217 O LEU A 19 -4.853 4.213 -6.945 1.00 0.00 O ATOM 218 CB LEU A 19 -2.132 4.719 -8.695 1.00 0.00 C ATOM 219 CG LEU A 19 -2.363 5.808 -9.745 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.678 7.114 -9.341 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.920 5.334 -11.131 1.00 0.00 C ATOM 0 H LEU A 19 -1.475 3.378 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.188 6.005 -7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.064 4.507 -8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.624 3.806 -9.032 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.433 6.009 -9.799 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.858 7.871 -10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.081 7.457 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.605 6.947 -9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.095 6.126 -11.859 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.858 5.088 -11.109 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.491 4.450 -11.413 1.00 0.00 H new ATOM 232 N ARG A 20 -4.595 6.423 -7.353 1.00 0.00 N ATOM 233 CA ARG A 20 -6.016 6.714 -7.282 1.00 0.00 C ATOM 234 C ARG A 20 -6.322 8.038 -7.986 1.00 0.00 C ATOM 235 O ARG A 20 -6.111 9.110 -7.421 1.00 0.00 O ATOM 236 CB ARG A 20 -6.489 6.797 -5.828 1.00 0.00 C ATOM 237 CG ARG A 20 -8.017 6.837 -5.751 1.00 0.00 C ATOM 238 CD ARG A 20 -8.483 7.687 -4.566 1.00 0.00 C ATOM 239 NE ARG A 20 -9.682 8.469 -4.945 1.00 0.00 N ATOM 240 CZ ARG A 20 -10.890 7.933 -5.161 1.00 0.00 C ATOM 241 NH1 ARG A 20 -11.070 6.612 -5.037 1.00 0.00 N ATOM 242 NH2 ARG A 20 -11.920 8.720 -5.501 1.00 0.00 N ATOM 0 H ARG A 20 -4.003 7.231 -7.544 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.546 5.902 -7.780 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.115 5.938 -5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.074 7.688 -5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.421 7.245 -6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.407 5.824 -5.652 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.711 7.045 -3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.684 8.359 -4.253 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.582 9.479 -5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.286 6.013 -4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.991 6.205 -5.202 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.783 9.726 -5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.840 8.313 -5.666 1.00 0.00 H new ATOM 253 N ARG A 21 -6.815 7.919 -9.210 1.00 0.00 N ATOM 254 CA ARG A 21 -7.153 9.093 -9.998 1.00 0.00 C ATOM 255 C ARG A 21 -8.568 9.567 -9.664 1.00 0.00 C ATOM 256 O ARG A 21 -9.547 8.944 -10.071 1.00 0.00 O ATOM 257 CB ARG A 21 -7.061 8.795 -11.496 1.00 0.00 C ATOM 258 CG ARG A 21 -5.604 8.764 -11.961 1.00 0.00 C ATOM 259 CD ARG A 21 -5.508 8.951 -13.477 1.00 0.00 C ATOM 260 NE ARG A 21 -4.432 8.097 -14.026 1.00 0.00 N ATOM 261 CZ ARG A 21 -3.859 8.286 -15.222 1.00 0.00 C ATOM 262 NH1 ARG A 21 -4.255 9.300 -16.002 1.00 0.00 N ATOM 263 NH2 ARG A 21 -2.890 7.460 -15.638 1.00 0.00 N ATOM 0 H ARG A 21 -6.989 7.028 -9.676 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.437 9.877 -9.751 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.535 7.837 -11.709 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.609 9.553 -12.055 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.041 9.550 -11.458 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.148 7.815 -11.678 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.459 8.696 -13.944 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.308 9.997 -13.711 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.106 7.315 -13.458 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.993 9.929 -15.685 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.818 9.444 -16.913 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.589 6.687 -15.044 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.454 7.604 -16.549 1.00 0.00 H new ATOM 274 N ASN A 22 -8.631 10.667 -8.928 1.00 0.00 N ATOM 275 CA ASN A 22 -9.911 11.232 -8.535 1.00 0.00 C ATOM 276 C ASN A 22 -10.637 11.751 -9.778 1.00 0.00 C ATOM 277 O ASN A 22 -10.069 11.775 -10.868 1.00 0.00 O ATOM 278 CB ASN A 22 -9.723 12.406 -7.572 1.00 0.00 C ATOM 279 CG ASN A 22 -8.843 12.006 -6.385 1.00 0.00 C ATOM 280 OD1 ASN A 22 -9.299 11.436 -5.407 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.563 12.334 -6.526 1.00 0.00 N ATOM 0 H ASN A 22 -7.817 11.182 -8.594 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.488 10.450 -8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.269 13.245 -8.100 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.694 12.744 -7.211 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.895 12.109 -5.789 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.249 12.810 -7.371 1.00 0.00 H new ATOM 287 N GLN A 23 -11.882 12.155 -9.571 1.00 0.00 N ATOM 288 CA GLN A 23 -12.691 12.673 -10.661 1.00 0.00 C ATOM 289 C GLN A 23 -11.958 13.810 -11.373 1.00 0.00 C ATOM 290 O GLN A 23 -12.207 14.075 -12.548 1.00 0.00 O ATOM 291 CB GLN A 23 -14.060 13.136 -10.156 1.00 0.00 C ATOM 292 CG GLN A 23 -13.910 14.181 -9.049 1.00 0.00 C ATOM 293 CD GLN A 23 -15.278 14.614 -8.515 1.00 0.00 C ATOM 294 OE1 GLN A 23 -15.845 14.005 -7.622 1.00 0.00 O ATOM 295 NE2 GLN A 23 -15.773 15.696 -9.108 1.00 0.00 N ATOM 0 H GLN A 23 -12.350 12.134 -8.665 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.857 11.869 -11.378 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.634 13.556 -10.982 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.622 12.281 -9.780 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -13.311 13.771 -8.236 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.374 15.049 -9.433 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -15.246 16.158 -9.849 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -16.680 16.065 -8.822 1.00 0.00 H new ATOM 302 N ASP A 24 -11.066 14.452 -10.633 1.00 0.00 N ATOM 303 CA ASP A 24 -10.293 15.554 -11.180 1.00 0.00 C ATOM 304 C ASP A 24 -9.216 15.002 -12.116 1.00 0.00 C ATOM 305 O ASP A 24 -8.712 15.719 -12.979 1.00 0.00 O ATOM 306 CB ASP A 24 -9.596 16.343 -10.069 1.00 0.00 C ATOM 307 CG ASP A 24 -10.496 17.314 -9.303 1.00 0.00 C ATOM 308 OD1 ASP A 24 -10.634 18.460 -9.782 1.00 0.00 O ATOM 309 OD2 ASP A 24 -11.025 16.888 -8.252 1.00 0.00 O ATOM 0 H ASP A 24 -10.861 14.230 -9.659 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.977 16.213 -11.715 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.162 15.638 -9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.770 16.904 -10.506 1.00 0.00 H new ATOM 313 N ASN A 25 -8.896 13.733 -11.912 1.00 0.00 N ATOM 314 CA ASN A 25 -7.887 13.076 -12.727 1.00 0.00 C ATOM 315 C ASN A 25 -6.497 13.438 -12.201 1.00 0.00 C ATOM 316 O ASN A 25 -5.567 13.638 -12.981 1.00 0.00 O ATOM 317 CB ASN A 25 -7.974 13.532 -14.186 1.00 0.00 C ATOM 318 CG ASN A 25 -7.426 12.459 -15.129 1.00 0.00 C ATOM 319 OD1 ASN A 25 -7.780 11.295 -15.059 1.00 0.00 O ATOM 320 ND2 ASN A 25 -6.542 12.918 -16.011 1.00 0.00 N ATOM 0 H ASN A 25 -9.317 13.142 -11.195 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.059 12.001 -12.674 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.011 13.751 -14.441 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.412 14.457 -14.316 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.116 12.281 -16.684 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.291 13.907 -16.014 1.00 0.00 H new ATOM 326 N GLU A 26 -6.399 13.512 -10.882 1.00 0.00 N ATOM 327 CA GLU A 26 -5.138 13.847 -10.243 1.00 0.00 C ATOM 328 C GLU A 26 -4.524 12.603 -9.596 1.00 0.00 C ATOM 329 O GLU A 26 -4.814 12.291 -8.443 1.00 0.00 O ATOM 330 CB GLU A 26 -5.325 14.963 -9.214 1.00 0.00 C ATOM 331 CG GLU A 26 -5.806 16.252 -9.884 1.00 0.00 C ATOM 332 CD GLU A 26 -5.638 17.452 -8.950 1.00 0.00 C ATOM 333 OE1 GLU A 26 -4.483 17.696 -8.542 1.00 0.00 O ATOM 334 OE2 GLU A 26 -6.670 18.098 -8.665 1.00 0.00 O ATOM 0 H GLU A 26 -7.172 13.346 -10.238 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.452 14.212 -11.007 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.047 14.650 -8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.383 15.147 -8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.244 16.420 -10.802 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.854 16.150 -10.166 1.00 0.00 H new ATOM 339 N ASP A 27 -3.687 11.927 -10.369 1.00 0.00 N ATOM 340 CA ASP A 27 -3.030 10.724 -9.887 1.00 0.00 C ATOM 341 C ASP A 27 -2.585 10.937 -8.439 1.00 0.00 C ATOM 342 O ASP A 27 -1.531 11.520 -8.189 1.00 0.00 O ATOM 343 CB ASP A 27 -1.788 10.402 -10.720 1.00 0.00 C ATOM 344 CG ASP A 27 -2.071 9.767 -12.083 1.00 0.00 C ATOM 345 OD1 ASP A 27 -2.473 8.584 -12.085 1.00 0.00 O ATOM 346 OD2 ASP A 27 -1.877 10.479 -13.092 1.00 0.00 O ATOM 0 H ASP A 27 -3.449 12.189 -11.325 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.739 9.900 -9.964 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.224 11.322 -10.875 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.150 9.729 -10.148 1.00 0.00 H new ATOM 350 N GLU A 28 -3.411 10.453 -7.521 1.00 0.00 N ATOM 351 CA GLU A 28 -3.116 10.584 -6.105 1.00 0.00 C ATOM 352 C GLU A 28 -2.367 9.347 -5.603 1.00 0.00 C ATOM 353 O GLU A 28 -2.273 8.345 -6.309 1.00 0.00 O ATOM 354 CB GLU A 28 -4.395 10.815 -5.298 1.00 0.00 C ATOM 355 CG GLU A 28 -4.069 11.219 -3.858 1.00 0.00 C ATOM 356 CD GLU A 28 -5.204 12.045 -3.250 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.368 11.631 -3.434 1.00 0.00 O ATOM 358 OE2 GLU A 28 -4.880 13.071 -2.615 1.00 0.00 O ATOM 0 H GLU A 28 -4.284 9.970 -7.732 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.475 11.455 -5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.993 11.594 -5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.998 9.907 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.901 10.326 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.144 11.796 -3.839 1.00 0.00 H new ATOM 363 N TRP A 29 -1.854 9.459 -4.387 1.00 0.00 N ATOM 364 CA TRP A 29 -1.116 8.363 -3.782 1.00 0.00 C ATOM 365 C TRP A 29 -1.577 8.228 -2.329 1.00 0.00 C ATOM 366 O TRP A 29 -0.791 8.424 -1.404 1.00 0.00 O ATOM 367 CB TRP A 29 0.393 8.579 -3.913 1.00 0.00 C ATOM 368 CG TRP A 29 0.915 8.466 -5.347 1.00 0.00 C ATOM 369 CD1 TRP A 29 1.138 9.454 -6.224 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.275 7.250 -6.037 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.612 8.967 -7.425 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.698 7.584 -7.307 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.242 5.914 -5.603 1.00 0.00 C ATOM 374 CZ2 TRP A 29 2.121 6.637 -8.247 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.668 4.979 -6.554 1.00 0.00 C ATOM 376 CH2 TRP A 29 2.098 5.299 -7.837 1.00 0.00 C ATOM 0 H TRP A 29 -1.935 10.292 -3.804 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.322 7.427 -4.301 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.644 9.565 -3.522 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.910 7.849 -3.290 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.968 10.500 -6.017 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.855 9.519 -8.247 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.914 5.631 -4.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.448 6.923 -9.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.662 3.937 -6.271 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.413 4.519 -8.514 1.00 0.00 H new ATOM 386 N PRO A 30 -2.883 7.885 -2.170 1.00 0.00 N ATOM 387 CA PRO A 30 -3.459 7.722 -0.846 1.00 0.00 C ATOM 388 C PRO A 30 -3.000 6.409 -0.207 1.00 0.00 C ATOM 389 O PRO A 30 -2.730 5.435 -0.908 1.00 0.00 O ATOM 390 CB PRO A 30 -4.962 7.786 -1.059 1.00 0.00 C ATOM 391 CG PRO A 30 -5.185 7.517 -2.538 1.00 0.00 C ATOM 392 CD PRO A 30 -3.844 7.645 -3.243 1.00 0.00 C ATOM 0 HA PRO A 30 -3.137 8.496 -0.149 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.475 7.045 -0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.355 8.762 -0.776 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.600 6.520 -2.686 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.903 8.226 -2.951 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.600 6.739 -3.798 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.850 8.466 -3.960 1.00 0.00 H new ATOM 397 N LEU A 31 -2.928 6.424 1.116 1.00 0.00 N ATOM 398 CA LEU A 31 -2.507 5.248 1.856 1.00 0.00 C ATOM 399 C LEU A 31 -3.524 4.126 1.642 1.00 0.00 C ATOM 400 O LEU A 31 -4.729 4.348 1.743 1.00 0.00 O ATOM 401 CB LEU A 31 -2.275 5.595 3.328 1.00 0.00 C ATOM 402 CG LEU A 31 -1.200 4.778 4.049 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.676 3.346 4.299 1.00 0.00 C ATOM 404 CD2 LEU A 31 0.124 4.817 3.283 1.00 0.00 C ATOM 0 H LEU A 31 -3.155 7.233 1.694 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.549 4.886 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.007 6.649 3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.217 5.471 3.863 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.021 5.232 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.894 2.787 4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.574 3.364 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.900 2.865 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.871 4.229 3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.020 4.401 2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.466 5.849 3.200 1.00 0.00 H new ATOM 415 N ALA A 32 -3.002 2.944 1.352 1.00 0.00 N ATOM 416 CA ALA A 32 -3.849 1.786 1.123 1.00 0.00 C ATOM 417 C ALA A 32 -3.273 0.582 1.869 1.00 0.00 C ATOM 418 O ALA A 32 -2.056 0.420 1.949 1.00 0.00 O ATOM 419 CB ALA A 32 -3.975 1.534 -0.381 1.00 0.00 C ATOM 0 H ALA A 32 -2.002 2.763 1.270 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.853 1.963 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.610 0.665 -0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.417 2.407 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.987 1.350 -0.803 1.00 0.00 H new ATOM 425 N GLU A 33 -4.174 -0.233 2.398 1.00 0.00 N ATOM 426 CA GLU A 33 -3.771 -1.418 3.136 1.00 0.00 C ATOM 427 C GLU A 33 -4.178 -2.681 2.375 1.00 0.00 C ATOM 428 O GLU A 33 -5.319 -2.804 1.933 1.00 0.00 O ATOM 429 CB GLU A 33 -4.362 -1.414 4.547 1.00 0.00 C ATOM 430 CG GLU A 33 -3.761 -2.534 5.397 1.00 0.00 C ATOM 431 CD GLU A 33 -4.827 -3.183 6.283 1.00 0.00 C ATOM 432 OE1 GLU A 33 -5.443 -2.432 7.069 1.00 0.00 O ATOM 433 OE2 GLU A 33 -5.000 -4.414 6.153 1.00 0.00 O ATOM 0 H GLU A 33 -5.182 -0.096 2.330 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.685 -1.409 3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.173 -0.451 5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.444 -1.535 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.314 -3.288 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.961 -2.134 6.019 1.00 0.00 H new ATOM 438 N ILE A 34 -3.222 -3.590 2.245 1.00 0.00 N ATOM 439 CA ILE A 34 -3.467 -4.840 1.545 1.00 0.00 C ATOM 440 C ILE A 34 -4.456 -5.684 2.349 1.00 0.00 C ATOM 441 O ILE A 34 -4.388 -5.726 3.576 1.00 0.00 O ATOM 442 CB ILE A 34 -2.147 -5.554 1.247 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.175 -4.628 0.514 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.389 -6.855 0.478 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.435 -4.642 -0.993 1.00 0.00 C ATOM 0 H ILE A 34 -2.276 -3.486 2.613 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.926 -4.650 0.575 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.682 -5.822 2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.278 -3.612 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.150 -4.940 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.435 -7.343 0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.018 -7.517 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.887 -6.633 -0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.730 -3.975 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.307 -5.655 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.453 -4.306 -1.190 1.00 0.00 H new ATOM 456 N LEU A 35 -5.353 -6.337 1.625 1.00 0.00 N ATOM 457 CA LEU A 35 -6.356 -7.179 2.257 1.00 0.00 C ATOM 458 C LEU A 35 -6.195 -8.616 1.759 1.00 0.00 C ATOM 459 O LEU A 35 -6.080 -9.544 2.558 1.00 0.00 O ATOM 460 CB LEU A 35 -7.756 -6.604 2.034 1.00 0.00 C ATOM 461 CG LEU A 35 -7.930 -5.119 2.358 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.336 -4.640 1.992 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.591 -4.835 3.823 1.00 0.00 C ATOM 0 H LEU A 35 -5.407 -6.300 0.607 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.213 -7.197 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.031 -6.763 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.462 -7.173 2.639 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.227 -4.551 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.434 -3.581 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.504 -4.787 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.073 -5.210 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.723 -3.772 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.252 -5.413 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.556 -5.116 4.018 1.00 0.00 H new ATOM 474 N SER A 36 -6.191 -8.756 0.442 1.00 0.00 N ATOM 475 CA SER A 36 -6.046 -10.066 -0.172 1.00 0.00 C ATOM 476 C SER A 36 -5.350 -9.933 -1.528 1.00 0.00 C ATOM 477 O SER A 36 -5.551 -8.952 -2.241 1.00 0.00 O ATOM 478 CB SER A 36 -7.405 -10.750 -0.338 1.00 0.00 C ATOM 479 OG SER A 36 -7.368 -12.115 0.067 1.00 0.00 O ATOM 0 H SER A 36 -6.286 -7.984 -0.218 1.00 0.00 H new ATOM 0 HA SER A 36 -5.435 -10.686 0.484 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.153 -10.218 0.249 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.716 -10.689 -1.381 1.00 0.00 H new ATOM 0 HG SER A 36 -6.851 -12.196 0.896 1.00 0.00 H new ATOM 484 N VAL A 37 -4.544 -10.937 -1.844 1.00 0.00 N ATOM 485 CA VAL A 37 -3.817 -10.946 -3.101 1.00 0.00 C ATOM 486 C VAL A 37 -4.404 -12.021 -4.018 1.00 0.00 C ATOM 487 O VAL A 37 -5.193 -12.855 -3.576 1.00 0.00 O ATOM 488 CB VAL A 37 -2.321 -11.136 -2.839 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.542 -11.222 -4.153 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.774 -10.017 -1.950 1.00 0.00 C ATOM 0 H VAL A 37 -4.379 -11.750 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.926 -9.989 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.190 -12.079 -2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.482 -11.357 -3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.905 -12.068 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.684 -10.302 -4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.709 -10.176 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.923 -9.056 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.299 -10.021 -0.995 1.00 0.00 H new ATOM 500 N LYS A 38 -3.998 -11.965 -5.278 1.00 0.00 N ATOM 501 CA LYS A 38 -4.474 -12.923 -6.261 1.00 0.00 C ATOM 502 C LYS A 38 -3.514 -12.947 -7.451 1.00 0.00 C ATOM 503 O LYS A 38 -2.486 -12.270 -7.438 1.00 0.00 O ATOM 504 CB LYS A 38 -5.924 -12.620 -6.645 1.00 0.00 C ATOM 505 CG LYS A 38 -6.696 -13.910 -6.932 1.00 0.00 C ATOM 506 CD LYS A 38 -7.145 -13.966 -8.393 1.00 0.00 C ATOM 507 CE LYS A 38 -8.669 -13.882 -8.502 1.00 0.00 C ATOM 508 NZ LYS A 38 -9.128 -12.493 -8.278 1.00 0.00 N ATOM 0 H LYS A 38 -3.345 -11.271 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.483 -13.928 -5.840 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.411 -12.072 -5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.944 -11.976 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.067 -14.772 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.566 -13.971 -6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.691 -13.145 -8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.795 -14.892 -8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.989 -14.223 -9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.129 -14.546 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.164 -12.453 -8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.839 -12.181 -7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.703 -11.868 -8.992 1.00 0.00 H new ATOM 518 N ASP A 39 -3.883 -13.732 -8.453 1.00 0.00 N ATOM 519 CA ASP A 39 -3.066 -13.852 -9.649 1.00 0.00 C ATOM 520 C ASP A 39 -3.928 -14.378 -10.798 1.00 0.00 C ATOM 521 O ASP A 39 -4.515 -15.455 -10.696 1.00 0.00 O ATOM 522 CB ASP A 39 -1.914 -14.834 -9.433 1.00 0.00 C ATOM 523 CG ASP A 39 -1.371 -15.484 -10.708 1.00 0.00 C ATOM 524 OD1 ASP A 39 -0.544 -14.825 -11.374 1.00 0.00 O ATOM 525 OD2 ASP A 39 -1.796 -16.626 -10.987 1.00 0.00 O ATOM 0 H ASP A 39 -4.736 -14.291 -8.461 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.660 -12.867 -9.881 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.098 -14.310 -8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.249 -15.620 -8.756 1.00 0.00 H new ATOM 529 N ILE A 40 -3.977 -13.595 -11.867 1.00 0.00 N ATOM 530 CA ILE A 40 -4.758 -13.969 -13.033 1.00 0.00 C ATOM 531 C ILE A 40 -4.001 -13.561 -14.300 1.00 0.00 C ATOM 532 O ILE A 40 -3.982 -12.387 -14.664 1.00 0.00 O ATOM 533 CB ILE A 40 -6.168 -13.384 -12.944 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.907 -13.918 -11.716 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.948 -13.637 -14.237 1.00 0.00 C ATOM 536 CD1 ILE A 40 -8.201 -13.138 -11.472 1.00 0.00 C ATOM 0 H ILE A 40 -3.488 -12.704 -11.949 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.889 -15.050 -13.073 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.083 -12.304 -12.824 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.136 -14.974 -11.856 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.263 -13.845 -10.839 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.947 -13.211 -14.148 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.428 -13.170 -15.073 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.025 -14.710 -14.411 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.707 -13.538 -10.593 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.966 -12.086 -11.308 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.853 -13.234 -12.341 1.00 0.00 H new ATOM 547 N SER A 41 -3.395 -14.554 -14.935 1.00 0.00 N ATOM 548 CA SER A 41 -2.640 -14.313 -16.152 1.00 0.00 C ATOM 549 C SER A 41 -1.420 -13.442 -15.846 1.00 0.00 C ATOM 550 O SER A 41 -1.159 -12.464 -16.547 1.00 0.00 O ATOM 551 CB SER A 41 -3.512 -13.650 -17.220 1.00 0.00 C ATOM 552 OG SER A 41 -3.340 -14.253 -18.499 1.00 0.00 O ATOM 0 H SER A 41 -3.412 -15.527 -14.629 1.00 0.00 H new ATOM 0 HA SER A 41 -2.304 -15.274 -16.542 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.559 -13.717 -16.926 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.265 -12.590 -17.283 1.00 0.00 H new ATOM 0 HG SER A 41 -3.915 -13.803 -19.153 1.00 0.00 H new ATOM 557 N GLY A 42 -0.705 -13.826 -14.799 1.00 0.00 N ATOM 558 CA GLY A 42 0.481 -13.091 -14.392 1.00 0.00 C ATOM 559 C GLY A 42 0.111 -11.711 -13.849 1.00 0.00 C ATOM 560 O GLY A 42 0.988 -10.895 -13.567 1.00 0.00 O ATOM 0 H GLY A 42 -0.924 -14.637 -14.220 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.018 -13.654 -13.629 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.155 -12.983 -15.241 1.00 0.00 H new ATOM 564 N ARG A 43 -1.189 -11.490 -13.719 1.00 0.00 N ATOM 565 CA ARG A 43 -1.686 -10.221 -13.214 1.00 0.00 C ATOM 566 C ARG A 43 -2.096 -10.357 -11.747 1.00 0.00 C ATOM 567 O ARG A 43 -3.268 -10.570 -11.442 1.00 0.00 O ATOM 568 CB ARG A 43 -2.886 -9.736 -14.028 1.00 0.00 C ATOM 569 CG ARG A 43 -3.125 -8.239 -13.818 1.00 0.00 C ATOM 570 CD ARG A 43 -4.267 -8.000 -12.830 1.00 0.00 C ATOM 571 NE ARG A 43 -5.493 -7.605 -13.559 1.00 0.00 N ATOM 572 CZ ARG A 43 -5.724 -6.370 -14.025 1.00 0.00 C ATOM 573 NH1 ARG A 43 -4.815 -5.403 -13.840 1.00 0.00 N ATOM 574 NH2 ARG A 43 -6.864 -6.102 -14.676 1.00 0.00 N ATOM 0 H ARG A 43 -1.913 -12.168 -13.955 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.881 -9.491 -13.304 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.716 -9.935 -15.086 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.776 -10.294 -13.737 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.214 -7.770 -13.446 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.360 -7.767 -14.772 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.454 -8.905 -12.252 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.988 -7.220 -12.121 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.206 -8.317 -13.716 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.947 -5.607 -13.344 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.991 -4.463 -14.195 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.556 -6.838 -14.817 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.040 -5.162 -15.031 1.00 0.00 H new ATOM 585 N LYS A 44 -1.106 -10.228 -10.874 1.00 0.00 N ATOM 586 CA LYS A 44 -1.349 -10.334 -9.446 1.00 0.00 C ATOM 587 C LYS A 44 -2.293 -9.212 -9.009 1.00 0.00 C ATOM 588 O LYS A 44 -2.043 -8.041 -9.289 1.00 0.00 O ATOM 589 CB LYS A 44 -0.026 -10.359 -8.677 1.00 0.00 C ATOM 590 CG LYS A 44 0.283 -11.766 -8.163 1.00 0.00 C ATOM 591 CD LYS A 44 0.477 -11.766 -6.645 1.00 0.00 C ATOM 592 CE LYS A 44 1.842 -11.186 -6.268 1.00 0.00 C ATOM 593 NZ LYS A 44 2.871 -12.250 -6.252 1.00 0.00 N ATOM 0 H LYS A 44 -0.134 -10.051 -11.129 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.844 -11.277 -9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.782 -10.019 -9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.076 -9.664 -7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.531 -12.441 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.183 -12.145 -8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.313 -11.182 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.392 -12.784 -6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.123 -10.410 -6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.784 -10.713 -5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.791 -11.839 -5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.609 -12.976 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.937 -12.683 -7.195 1.00 0.00 H new ATOM 603 N LEU A 45 -3.359 -9.609 -8.329 1.00 0.00 N ATOM 604 CA LEU A 45 -4.341 -8.652 -7.851 1.00 0.00 C ATOM 605 C LEU A 45 -4.174 -8.468 -6.341 1.00 0.00 C ATOM 606 O LEU A 45 -3.685 -9.362 -5.653 1.00 0.00 O ATOM 607 CB LEU A 45 -5.751 -9.078 -8.266 1.00 0.00 C ATOM 608 CG LEU A 45 -6.448 -8.181 -9.291 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.435 -7.546 -10.244 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.538 -8.950 -10.042 1.00 0.00 C ATOM 0 H LEU A 45 -3.564 -10.581 -8.098 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.179 -7.678 -8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.699 -10.088 -8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.373 -9.126 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.938 -7.368 -8.755 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.958 -6.914 -10.962 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.729 -6.942 -9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.895 -8.329 -10.776 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.018 -8.289 -10.764 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.092 -9.796 -10.565 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.282 -9.313 -9.333 1.00 0.00 H new ATOM 621 N PHE A 46 -4.590 -7.301 -5.870 1.00 0.00 N ATOM 622 CA PHE A 46 -4.493 -6.988 -4.454 1.00 0.00 C ATOM 623 C PHE A 46 -5.648 -6.089 -4.011 1.00 0.00 C ATOM 624 O PHE A 46 -5.778 -4.959 -4.481 1.00 0.00 O ATOM 625 CB PHE A 46 -3.173 -6.239 -4.252 1.00 0.00 C ATOM 626 CG PHE A 46 -1.965 -6.923 -4.896 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.668 -6.691 -6.203 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.188 -7.761 -4.160 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.548 -7.324 -6.799 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.066 -8.395 -4.758 1.00 0.00 C ATOM 631 CZ PHE A 46 0.230 -8.164 -6.064 1.00 0.00 C ATOM 0 H PHE A 46 -4.995 -6.561 -6.444 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.536 -7.905 -3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.271 -5.234 -4.663 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.989 -6.130 -3.183 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.285 -6.024 -6.787 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.423 -7.945 -3.122 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.312 -7.139 -7.837 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.552 -9.061 -4.174 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.082 -8.647 -6.518 1.00 0.00 H new ATOM 640 N TYR A 47 -6.461 -6.624 -3.111 1.00 0.00 N ATOM 641 CA TYR A 47 -7.602 -5.885 -2.599 1.00 0.00 C ATOM 642 C TYR A 47 -7.172 -4.901 -1.509 1.00 0.00 C ATOM 643 O TYR A 47 -7.152 -5.247 -0.328 1.00 0.00 O ATOM 644 CB TYR A 47 -8.540 -6.927 -1.987 1.00 0.00 C ATOM 645 CG TYR A 47 -9.971 -6.430 -1.777 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.628 -5.768 -2.795 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.605 -6.642 -0.570 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.975 -5.299 -2.597 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.952 -6.173 -0.372 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.571 -5.525 -1.396 1.00 0.00 C ATOM 651 OH TYR A 47 -13.844 -5.082 -1.209 1.00 0.00 O ATOM 0 H TYR A 47 -6.351 -7.561 -2.723 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.077 -5.312 -3.395 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.562 -7.804 -2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.133 -7.248 -1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.132 -5.602 -3.740 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.091 -7.160 0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.500 -4.779 -3.385 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.459 -6.332 0.568 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.102 -5.213 -0.273 1.00 0.00 H new ATOM 660 N VAL A 48 -6.841 -3.694 -1.944 1.00 0.00 N ATOM 661 CA VAL A 48 -6.414 -2.657 -1.019 1.00 0.00 C ATOM 662 C VAL A 48 -7.611 -1.773 -0.662 1.00 0.00 C ATOM 663 O VAL A 48 -8.556 -1.657 -1.440 1.00 0.00 O ATOM 664 CB VAL A 48 -5.248 -1.868 -1.619 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.167 -2.811 -2.153 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.735 -0.917 -2.713 1.00 0.00 C ATOM 0 H VAL A 48 -6.860 -3.411 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.048 -3.100 -0.093 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.806 -1.266 -0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.349 -2.226 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.789 -3.429 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.592 -3.450 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.887 -0.369 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.214 -1.490 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.452 -0.213 -2.291 1.00 0.00 H new ATOM 676 N HIS A 49 -7.532 -1.174 0.517 1.00 0.00 N ATOM 677 CA HIS A 49 -8.598 -0.304 0.987 1.00 0.00 C ATOM 678 C HIS A 49 -8.019 1.063 1.356 1.00 0.00 C ATOM 679 O HIS A 49 -7.211 1.172 2.277 1.00 0.00 O ATOM 680 CB HIS A 49 -9.360 -0.957 2.143 1.00 0.00 C ATOM 681 CG HIS A 49 -10.140 0.019 2.991 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.173 0.791 2.488 1.00 0.00 N ATOM 683 CD2 HIS A 49 -10.029 0.340 4.312 1.00 0.00 C ATOM 684 CE1 HIS A 49 -11.653 1.539 3.471 1.00 0.00 C ATOM 685 NE2 HIS A 49 -10.943 1.257 4.600 1.00 0.00 N ATOM 0 H HIS A 49 -6.747 -1.273 1.161 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.325 -0.149 0.190 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -10.046 -1.701 1.738 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.651 -1.489 2.778 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.317 -0.081 5.006 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -12.464 2.248 3.392 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -11.090 1.681 5.516 1.00 0.00 H new ATOM 692 N TYR A 50 -8.456 2.073 0.616 1.00 0.00 N ATOM 693 CA TYR A 50 -7.991 3.429 0.853 1.00 0.00 C ATOM 694 C TYR A 50 -8.333 3.885 2.273 1.00 0.00 C ATOM 695 O TYR A 50 -9.477 3.763 2.709 1.00 0.00 O ATOM 696 CB TYR A 50 -8.739 4.312 -0.147 1.00 0.00 C ATOM 697 CG TYR A 50 -8.426 3.994 -1.611 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.115 3.919 -2.037 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.455 3.784 -2.507 1.00 0.00 C ATOM 700 CE1 TYR A 50 -6.821 3.621 -3.414 1.00 0.00 C ATOM 701 CE2 TYR A 50 -9.161 3.486 -3.884 1.00 0.00 C ATOM 702 CZ TYR A 50 -7.857 3.419 -4.270 1.00 0.00 C ATOM 703 OH TYR A 50 -7.579 3.137 -5.571 1.00 0.00 O ATOM 0 H TYR A 50 -9.126 1.979 -0.147 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.909 3.490 0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.811 4.202 0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.492 5.355 0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.310 4.084 -1.337 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.481 3.843 -2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.800 3.559 -3.759 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.957 3.319 -4.595 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.154 2.405 -5.877 1.00 0.00 H new ATOM 712 N ILE A 51 -7.321 4.403 2.955 1.00 0.00 N ATOM 713 CA ILE A 51 -7.501 4.878 4.316 1.00 0.00 C ATOM 714 C ILE A 51 -7.146 6.364 4.383 1.00 0.00 C ATOM 715 O ILE A 51 -6.067 6.769 3.952 1.00 0.00 O ATOM 716 CB ILE A 51 -6.707 4.011 5.295 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.253 3.866 4.845 1.00 0.00 C ATOM 718 CG2 ILE A 51 -7.383 2.653 5.497 1.00 0.00 C ATOM 719 CD1 ILE A 51 -5.053 2.580 4.039 1.00 0.00 C ATOM 0 H ILE A 51 -6.374 4.504 2.590 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.544 4.785 4.618 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.695 4.512 6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.969 4.727 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.598 3.859 5.716 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.799 2.056 6.197 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.386 2.802 5.896 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.446 2.132 4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.010 2.502 3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.315 1.720 4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.691 2.601 3.156 1.00 0.00 H new ATOM 730 N ASP A 52 -8.073 7.138 4.928 1.00 0.00 N ATOM 731 CA ASP A 52 -7.872 8.570 5.057 1.00 0.00 C ATOM 732 C ASP A 52 -8.981 9.161 5.931 1.00 0.00 C ATOM 733 O ASP A 52 -8.707 9.754 6.972 1.00 0.00 O ATOM 734 CB ASP A 52 -7.927 9.261 3.693 1.00 0.00 C ATOM 735 CG ASP A 52 -8.206 10.764 3.739 1.00 0.00 C ATOM 736 OD1 ASP A 52 -8.007 11.345 4.828 1.00 0.00 O ATOM 737 OD2 ASP A 52 -8.611 11.298 2.684 1.00 0.00 O ATOM 0 H ASP A 52 -8.966 6.799 5.286 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.891 8.732 5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.978 9.099 3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.699 8.782 3.091 1.00 0.00 H new ATOM 741 N PHE A 53 -10.211 8.977 5.474 1.00 0.00 N ATOM 742 CA PHE A 53 -11.363 9.483 6.200 1.00 0.00 C ATOM 743 C PHE A 53 -12.667 8.976 5.582 1.00 0.00 C ATOM 744 O PHE A 53 -13.556 9.766 5.265 1.00 0.00 O ATOM 745 CB PHE A 53 -11.322 11.010 6.096 1.00 0.00 C ATOM 746 CG PHE A 53 -12.021 11.731 7.250 1.00 0.00 C ATOM 747 CD1 PHE A 53 -11.648 11.483 8.533 1.00 0.00 C ATOM 748 CD2 PHE A 53 -13.016 12.622 6.992 1.00 0.00 C ATOM 749 CE1 PHE A 53 -12.296 12.152 9.604 1.00 0.00 C ATOM 750 CE2 PHE A 53 -13.665 13.292 8.063 1.00 0.00 C ATOM 751 CZ PHE A 53 -13.292 13.043 9.346 1.00 0.00 C ATOM 0 H PHE A 53 -10.435 8.484 4.609 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.328 9.145 7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.282 11.333 6.056 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -11.786 11.313 5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.858 10.776 8.738 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -13.313 12.820 5.973 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -11.999 11.954 10.623 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -14.455 13.999 7.858 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.786 13.552 10.161 1.00 0.00 H new ATOM 760 N ASN A 54 -12.742 7.663 5.430 1.00 0.00 N ATOM 761 CA ASN A 54 -13.923 7.041 4.856 1.00 0.00 C ATOM 762 C ASN A 54 -13.879 5.534 5.117 1.00 0.00 C ATOM 763 O ASN A 54 -13.013 5.052 5.845 1.00 0.00 O ATOM 764 CB ASN A 54 -13.977 7.257 3.343 1.00 0.00 C ATOM 765 CG ASN A 54 -14.908 8.418 2.987 1.00 0.00 C ATOM 766 OD1 ASN A 54 -15.980 8.582 3.546 1.00 0.00 O ATOM 767 ND2 ASN A 54 -14.439 9.214 2.030 1.00 0.00 N ATOM 0 H ASN A 54 -12.003 7.011 5.695 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.801 7.493 5.317 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.975 7.461 2.965 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.323 6.346 2.854 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.985 10.019 1.723 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.533 9.020 1.603 1.00 0.00 H new ATOM 773 N ARG A 55 -14.825 4.833 4.510 1.00 0.00 N ATOM 774 CA ARG A 55 -14.905 3.391 4.668 1.00 0.00 C ATOM 775 C ARG A 55 -15.605 2.763 3.461 1.00 0.00 C ATOM 776 O ARG A 55 -16.291 3.452 2.709 1.00 0.00 O ATOM 777 CB ARG A 55 -15.668 3.018 5.941 1.00 0.00 C ATOM 778 CG ARG A 55 -15.079 1.762 6.584 1.00 0.00 C ATOM 779 CD ARG A 55 -14.789 1.989 8.069 1.00 0.00 C ATOM 780 NE ARG A 55 -13.952 0.889 8.596 1.00 0.00 N ATOM 781 CZ ARG A 55 -13.413 0.877 9.823 1.00 0.00 C ATOM 782 NH1 ARG A 55 -13.620 1.905 10.656 1.00 0.00 N ATOM 783 NH2 ARG A 55 -12.666 -0.164 10.217 1.00 0.00 N ATOM 0 H ARG A 55 -15.543 5.237 3.908 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.887 3.009 4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.629 3.846 6.649 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.719 2.851 5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.774 0.930 6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.160 1.483 6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.279 2.943 8.207 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.724 2.044 8.626 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.774 0.090 7.988 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.188 2.698 10.357 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.210 1.895 11.590 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.508 -0.947 9.583 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.256 -0.173 11.151 1.00 0.00 H new ATOM 794 N ARG A 56 -15.406 1.461 3.313 1.00 0.00 N ATOM 795 CA ARG A 56 -16.008 0.733 2.210 1.00 0.00 C ATOM 796 C ARG A 56 -15.393 1.177 0.881 1.00 0.00 C ATOM 797 O ARG A 56 -16.046 1.117 -0.160 1.00 0.00 O ATOM 798 CB ARG A 56 -17.521 0.955 2.164 1.00 0.00 C ATOM 799 CG ARG A 56 -18.275 -0.332 2.509 1.00 0.00 C ATOM 800 CD ARG A 56 -19.588 -0.423 1.728 1.00 0.00 C ATOM 801 NE ARG A 56 -20.134 -1.796 1.817 1.00 0.00 N ATOM 802 CZ ARG A 56 -21.253 -2.200 1.200 1.00 0.00 C ATOM 803 NH1 ARG A 56 -21.951 -1.340 0.447 1.00 0.00 N ATOM 804 NH2 ARG A 56 -21.673 -3.465 1.337 1.00 0.00 N ATOM 0 H ARG A 56 -14.836 0.892 3.939 1.00 0.00 H new ATOM 0 HA ARG A 56 -15.813 -0.328 2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -17.798 1.742 2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -17.812 1.296 1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -17.651 -1.196 2.281 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -18.481 -0.362 3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -20.309 0.291 2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -19.420 -0.156 0.685 1.00 0.00 H new ATOM 0 HE ARG A 56 -19.627 -2.477 2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -21.631 -0.377 0.343 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -22.803 -1.648 -0.022 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -21.141 -4.120 1.911 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -22.525 -3.773 0.868 1.00 0.00 H new ATOM 815 N LEU A 57 -14.145 1.613 0.960 1.00 0.00 N ATOM 816 CA LEU A 57 -13.435 2.067 -0.223 1.00 0.00 C ATOM 817 C LEU A 57 -12.445 0.987 -0.666 1.00 0.00 C ATOM 818 O LEU A 57 -11.395 1.294 -1.227 1.00 0.00 O ATOM 819 CB LEU A 57 -12.784 3.429 0.032 1.00 0.00 C ATOM 820 CG LEU A 57 -13.711 4.643 -0.060 1.00 0.00 C ATOM 821 CD1 LEU A 57 -13.181 5.803 0.784 1.00 0.00 C ATOM 822 CD2 LEU A 57 -13.939 5.051 -1.517 1.00 0.00 C ATOM 0 H LEU A 57 -13.607 1.662 1.825 1.00 0.00 H new ATOM 0 HA LEU A 57 -14.131 2.220 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -12.334 3.414 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.972 3.561 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.681 4.363 0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.858 6.653 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.114 5.493 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.192 6.091 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.601 5.916 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.984 5.305 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.394 4.223 -2.060 1.00 0.00 H new ATOM 833 N ASP A 58 -12.817 -0.256 -0.397 1.00 0.00 N ATOM 834 CA ASP A 58 -11.977 -1.384 -0.761 1.00 0.00 C ATOM 835 C ASP A 58 -12.210 -1.736 -2.231 1.00 0.00 C ATOM 836 O ASP A 58 -13.348 -1.735 -2.701 1.00 0.00 O ATOM 837 CB ASP A 58 -12.314 -2.616 0.080 1.00 0.00 C ATOM 838 CG ASP A 58 -13.808 -2.920 0.211 1.00 0.00 C ATOM 839 OD1 ASP A 58 -14.574 -2.363 -0.604 1.00 0.00 O ATOM 840 OD2 ASP A 58 -14.149 -3.703 1.124 1.00 0.00 O ATOM 0 H ASP A 58 -13.689 -0.507 0.069 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.939 -1.101 -0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.819 -3.483 -0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.897 -2.481 1.078 1.00 0.00 H new ATOM 844 N GLU A 59 -11.116 -2.029 -2.918 1.00 0.00 N ATOM 845 CA GLU A 59 -11.188 -2.383 -4.325 1.00 0.00 C ATOM 846 C GLU A 59 -9.935 -3.157 -4.743 1.00 0.00 C ATOM 847 O GLU A 59 -8.926 -3.136 -4.041 1.00 0.00 O ATOM 848 CB GLU A 59 -11.377 -1.138 -5.195 1.00 0.00 C ATOM 849 CG GLU A 59 -10.076 -0.340 -5.300 1.00 0.00 C ATOM 850 CD GLU A 59 -10.205 0.785 -6.330 1.00 0.00 C ATOM 851 OE1 GLU A 59 -11.261 1.454 -6.310 1.00 0.00 O ATOM 852 OE2 GLU A 59 -9.246 0.949 -7.114 1.00 0.00 O ATOM 0 H GLU A 59 -10.174 -2.028 -2.526 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.056 -3.026 -4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.708 -1.433 -6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.160 -0.509 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.823 0.080 -4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.259 -1.004 -5.582 1.00 0.00 H new ATOM 857 N TRP A 60 -10.043 -3.822 -5.884 1.00 0.00 N ATOM 858 CA TRP A 60 -8.932 -4.602 -6.403 1.00 0.00 C ATOM 859 C TRP A 60 -8.046 -3.669 -7.232 1.00 0.00 C ATOM 860 O TRP A 60 -8.535 -2.966 -8.113 1.00 0.00 O ATOM 861 CB TRP A 60 -9.435 -5.811 -7.196 1.00 0.00 C ATOM 862 CG TRP A 60 -10.218 -6.824 -6.359 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.525 -6.815 -6.065 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.687 -8.000 -5.714 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.875 -7.897 -5.282 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.720 -8.639 -5.062 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.376 -8.507 -5.683 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.551 -9.822 -4.331 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.223 -9.689 -4.949 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.253 -10.346 -4.287 1.00 0.00 C ATOM 0 H TRP A 60 -10.882 -3.837 -6.463 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.336 -5.015 -5.589 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -10.070 -5.460 -8.010 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.582 -6.314 -7.651 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.218 -6.057 -6.399 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.808 -8.112 -4.930 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.552 -8.023 -6.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.377 -10.304 -3.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.235 -10.121 -4.893 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.054 -11.256 -3.741 1.00 0.00 H new ATOM 880 N VAL A 61 -6.760 -3.695 -6.917 1.00 0.00 N ATOM 881 CA VAL A 61 -5.801 -2.860 -7.621 1.00 0.00 C ATOM 882 C VAL A 61 -4.726 -3.747 -8.254 1.00 0.00 C ATOM 883 O VAL A 61 -4.847 -4.971 -8.252 1.00 0.00 O ATOM 884 CB VAL A 61 -5.225 -1.808 -6.672 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.341 -0.981 -6.030 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.341 -2.458 -5.605 1.00 0.00 C ATOM 0 H VAL A 61 -6.359 -4.281 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.291 -2.316 -8.429 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.601 -1.133 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.905 -0.240 -5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.912 -0.475 -6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.001 -1.638 -5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.944 -1.688 -4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.932 -3.166 -5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.516 -2.983 -6.086 1.00 0.00 H new ATOM 896 N THR A 62 -3.698 -3.095 -8.778 1.00 0.00 N ATOM 897 CA THR A 62 -2.603 -3.809 -9.411 1.00 0.00 C ATOM 898 C THR A 62 -1.285 -3.507 -8.696 1.00 0.00 C ATOM 899 O THR A 62 -1.260 -2.746 -7.730 1.00 0.00 O ATOM 900 CB THR A 62 -2.590 -3.434 -10.895 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.439 -2.017 -10.893 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.944 -3.664 -11.569 1.00 0.00 C ATOM 0 H THR A 62 -3.601 -2.080 -8.777 1.00 0.00 H new ATOM 0 HA THR A 62 -2.737 -4.888 -9.335 1.00 0.00 H new ATOM 0 HB THR A 62 -1.825 -4.016 -11.410 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.732 -1.656 -11.755 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.880 -3.382 -12.620 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.215 -4.717 -11.492 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.703 -3.057 -11.076 1.00 0.00 H new ATOM 910 N HIS A 63 -0.222 -4.119 -9.198 1.00 0.00 N ATOM 911 CA HIS A 63 1.095 -3.925 -8.618 1.00 0.00 C ATOM 912 C HIS A 63 1.635 -2.552 -9.020 1.00 0.00 C ATOM 913 O HIS A 63 2.233 -1.852 -8.203 1.00 0.00 O ATOM 914 CB HIS A 63 2.034 -5.069 -9.010 1.00 0.00 C ATOM 915 CG HIS A 63 3.500 -4.744 -8.843 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.144 -3.986 -7.911 1.00 0.00 N flip ATOM 917 CD2 HIS A 63 4.475 -5.222 -9.701 1.00 0.00 C flip ATOM 918 CE1 HIS A 63 5.443 -4.000 -8.183 1.00 0.00 C flip ATOM 919 NE2 HIS A 63 5.650 -4.766 -9.293 1.00 0.00 N flip ATOM 0 H HIS A 63 -0.247 -4.749 -10.000 1.00 0.00 H new ATOM 0 HA HIS A 63 1.025 -3.945 -7.530 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.795 -5.945 -8.406 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.848 -5.338 -10.050 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.307 -5.858 -10.557 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.210 -3.489 -7.619 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.551 -4.954 -9.732 1.00 0.00 H new ATOM 926 N GLU A 64 1.406 -2.206 -10.278 1.00 0.00 N ATOM 927 CA GLU A 64 1.862 -0.928 -10.798 1.00 0.00 C ATOM 928 C GLU A 64 1.433 0.208 -9.866 1.00 0.00 C ATOM 929 O GLU A 64 2.074 1.256 -9.824 1.00 0.00 O ATOM 930 CB GLU A 64 1.344 -0.697 -12.218 1.00 0.00 C ATOM 931 CG GLU A 64 -0.186 -0.723 -12.255 1.00 0.00 C ATOM 932 CD GLU A 64 -0.720 0.103 -13.427 1.00 0.00 C ATOM 933 OE1 GLU A 64 -0.942 1.315 -13.210 1.00 0.00 O ATOM 934 OE2 GLU A 64 -0.896 -0.494 -14.510 1.00 0.00 O ATOM 0 H GLU A 64 0.910 -2.789 -10.953 1.00 0.00 H new ATOM 0 HA GLU A 64 2.951 -0.944 -10.842 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.704 0.263 -12.589 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.740 -1.464 -12.883 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.534 -1.752 -12.343 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.583 -0.331 -11.318 1.00 0.00 H new ATOM 939 N ARG A 65 0.351 -0.040 -9.143 1.00 0.00 N ATOM 940 CA ARG A 65 -0.171 0.949 -8.214 1.00 0.00 C ATOM 941 C ARG A 65 0.471 0.774 -6.837 1.00 0.00 C ATOM 942 O ARG A 65 0.532 1.720 -6.053 1.00 0.00 O ATOM 943 CB ARG A 65 -1.690 0.829 -8.081 1.00 0.00 C ATOM 944 CG ARG A 65 -2.384 1.135 -9.410 1.00 0.00 C ATOM 945 CD ARG A 65 -3.900 1.218 -9.231 1.00 0.00 C ATOM 946 NE ARG A 65 -4.444 2.341 -10.027 1.00 0.00 N ATOM 947 CZ ARG A 65 -4.626 2.302 -11.354 1.00 0.00 C ATOM 948 NH1 ARG A 65 -4.310 1.198 -12.041 1.00 0.00 N ATOM 949 NH2 ARG A 65 -5.125 3.370 -11.993 1.00 0.00 N ATOM 0 H ARG A 65 -0.179 -0.911 -9.181 1.00 0.00 H new ATOM 0 HA ARG A 65 0.071 1.936 -8.608 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.951 -0.177 -7.754 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.047 1.516 -7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.010 2.077 -9.811 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.142 0.360 -10.137 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.363 0.282 -9.544 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.143 1.357 -8.178 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.696 3.198 -9.535 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.930 0.386 -11.555 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.449 1.169 -13.051 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.366 4.211 -11.469 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.264 3.341 -13.003 1.00 0.00 H new ATOM 960 N LEU A 66 0.933 -0.441 -6.584 1.00 0.00 N ATOM 961 CA LEU A 66 1.568 -0.752 -5.315 1.00 0.00 C ATOM 962 C LEU A 66 2.960 -0.119 -5.277 1.00 0.00 C ATOM 963 O LEU A 66 3.851 -0.527 -6.021 1.00 0.00 O ATOM 964 CB LEU A 66 1.573 -2.263 -5.074 1.00 0.00 C ATOM 965 CG LEU A 66 0.200 -2.920 -4.909 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.303 -4.442 -5.030 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.458 -2.493 -3.596 1.00 0.00 C ATOM 0 H LEU A 66 0.880 -1.223 -7.237 1.00 0.00 H new ATOM 0 HA LEU A 66 1.000 -0.323 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.085 -2.742 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.161 -2.466 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.443 -2.575 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.686 -4.884 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.700 -4.703 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.969 -4.824 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.432 -2.974 -3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.174 -2.790 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.586 -1.411 -3.588 1.00 0.00 H new ATOM 978 N ASP A 67 3.104 0.867 -4.404 1.00 0.00 N ATOM 979 CA ASP A 67 4.373 1.561 -4.261 1.00 0.00 C ATOM 980 C ASP A 67 5.140 0.970 -3.076 1.00 0.00 C ATOM 981 O ASP A 67 5.230 1.592 -2.018 1.00 0.00 O ATOM 982 CB ASP A 67 4.158 3.051 -3.989 1.00 0.00 C ATOM 983 CG ASP A 67 5.272 3.968 -4.499 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.181 3.436 -5.173 1.00 0.00 O ATOM 985 OD2 ASP A 67 5.190 5.179 -4.204 1.00 0.00 O ATOM 0 H ASP A 67 2.363 1.202 -3.788 1.00 0.00 H new ATOM 0 HA ASP A 67 4.931 1.441 -5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.218 3.357 -4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.051 3.197 -2.914 1.00 0.00 H new ATOM 989 N LEU A 68 5.674 -0.224 -3.293 1.00 0.00 N ATOM 990 CA LEU A 68 6.431 -0.905 -2.256 1.00 0.00 C ATOM 991 C LEU A 68 7.526 0.027 -1.735 1.00 0.00 C ATOM 992 O LEU A 68 8.039 -0.167 -0.634 1.00 0.00 O ATOM 993 CB LEU A 68 6.958 -2.245 -2.772 1.00 0.00 C ATOM 994 CG LEU A 68 6.005 -3.043 -3.664 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.419 -4.514 -3.731 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.555 -2.875 -3.204 1.00 0.00 C ATOM 0 H LEU A 68 5.597 -0.737 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 68 5.788 -1.146 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.877 -2.061 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.224 -2.863 -1.914 1.00 0.00 H new ATOM 0 HG LEU A 68 6.070 -2.645 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.725 -5.058 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.426 -4.590 -4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.401 -4.943 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.898 -3.452 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.455 -3.231 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.278 -1.822 -3.251 1.00 0.00 H new ATOM 1007 N LYS A 69 7.850 1.021 -2.549 1.00 0.00 N ATOM 1008 CA LYS A 69 8.876 1.984 -2.183 1.00 0.00 C ATOM 1009 C LYS A 69 8.376 2.835 -1.015 1.00 0.00 C ATOM 1010 O LYS A 69 9.134 3.613 -0.440 1.00 0.00 O ATOM 1011 CB LYS A 69 9.301 2.803 -3.404 1.00 0.00 C ATOM 1012 CG LYS A 69 9.419 1.917 -4.645 1.00 0.00 C ATOM 1013 CD LYS A 69 10.664 2.276 -5.459 1.00 0.00 C ATOM 1014 CE LYS A 69 10.285 2.725 -6.871 1.00 0.00 C ATOM 1015 NZ LYS A 69 11.499 2.958 -7.685 1.00 0.00 N ATOM 0 H LYS A 69 7.421 1.181 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 69 9.776 1.472 -1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.574 3.595 -3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.257 3.287 -3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.465 0.870 -4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.530 2.032 -5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.215 3.071 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.328 1.413 -5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.662 1.966 -7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.692 3.639 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.223 3.262 -8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.079 3.698 -7.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.049 2.078 -7.747 1.00 0.00 H new ATOM 1025 N LYS A 70 7.100 2.659 -0.699 1.00 0.00 N ATOM 1026 CA LYS A 70 6.491 3.402 0.391 1.00 0.00 C ATOM 1027 C LYS A 70 5.634 2.453 1.232 1.00 0.00 C ATOM 1028 O LYS A 70 4.720 2.890 1.929 1.00 0.00 O ATOM 1029 CB LYS A 70 5.721 4.609 -0.149 1.00 0.00 C ATOM 1030 CG LYS A 70 6.651 5.808 -0.347 1.00 0.00 C ATOM 1031 CD LYS A 70 5.868 7.122 -0.302 1.00 0.00 C ATOM 1032 CE LYS A 70 6.563 8.202 -1.134 1.00 0.00 C ATOM 1033 NZ LYS A 70 6.575 9.490 -0.405 1.00 0.00 N ATOM 0 H LYS A 70 6.473 2.013 -1.179 1.00 0.00 H new ATOM 0 HA LYS A 70 7.258 3.810 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.249 4.350 -1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.922 4.874 0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.417 5.810 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.166 5.720 -1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.858 6.961 -0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.773 7.458 0.731 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.584 7.895 -1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.049 8.322 -2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.050 10.212 -0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.598 9.789 -0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.086 9.375 0.494 1.00 0.00 H new ATOM 1043 N ILE A 71 5.961 1.172 1.140 1.00 0.00 N ATOM 1044 CA ILE A 71 5.234 0.158 1.883 1.00 0.00 C ATOM 1045 C ILE A 71 5.465 0.367 3.381 1.00 0.00 C ATOM 1046 O ILE A 71 6.430 1.017 3.780 1.00 0.00 O ATOM 1047 CB ILE A 71 5.612 -1.240 1.392 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.365 -2.044 1.015 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.474 -1.971 2.424 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.710 -3.519 0.795 1.00 0.00 C ATOM 0 H ILE A 71 6.721 0.814 0.561 1.00 0.00 H new ATOM 0 HA ILE A 71 4.162 0.253 1.709 1.00 0.00 H new ATOM 0 HB ILE A 71 6.213 -1.133 0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.618 -1.955 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.922 -1.631 0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.728 -2.962 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.388 -1.405 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.920 -2.067 3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.807 -4.068 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.439 -3.606 -0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.130 -3.935 1.711 1.00 0.00 H new ATOM 1061 N GLN A 72 4.564 -0.198 4.171 1.00 0.00 N ATOM 1062 CA GLN A 72 4.657 -0.082 5.616 1.00 0.00 C ATOM 1063 C GLN A 72 4.128 -1.351 6.285 1.00 0.00 C ATOM 1064 O GLN A 72 3.144 -1.305 7.022 1.00 0.00 O ATOM 1065 CB GLN A 72 3.908 1.155 6.117 1.00 0.00 C ATOM 1066 CG GLN A 72 4.802 2.396 6.069 1.00 0.00 C ATOM 1067 CD GLN A 72 4.698 3.197 7.368 1.00 0.00 C ATOM 1068 OE1 GLN A 72 5.154 2.783 8.421 1.00 0.00 O ATOM 1069 NE2 GLN A 72 4.075 4.364 7.235 1.00 0.00 N ATOM 0 H GLN A 72 3.765 -0.738 3.837 1.00 0.00 H new ATOM 0 HA GLN A 72 5.707 0.037 5.884 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.020 1.319 5.506 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.566 0.988 7.138 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.837 2.097 5.904 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.513 3.024 5.226 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.717 4.650 6.324 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.955 4.973 8.044 1.00 0.00 H new ATOM 1076 N PHE A 73 4.805 -2.455 6.006 1.00 0.00 N ATOM 1077 CA PHE A 73 4.416 -3.735 6.573 1.00 0.00 C ATOM 1078 C PHE A 73 3.915 -3.570 8.009 1.00 0.00 C ATOM 1079 O PHE A 73 4.298 -2.627 8.699 1.00 0.00 O ATOM 1080 CB PHE A 73 5.664 -4.620 6.579 1.00 0.00 C ATOM 1081 CG PHE A 73 5.919 -5.346 5.256 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.552 -4.702 4.238 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.513 -6.634 5.098 1.00 0.00 C ATOM 1084 CE1 PHE A 73 6.788 -5.376 3.010 1.00 0.00 C ATOM 1085 CE2 PHE A 73 5.750 -7.308 3.870 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.383 -6.664 2.852 1.00 0.00 C ATOM 0 H PHE A 73 5.621 -2.490 5.395 1.00 0.00 H new ATOM 0 HA PHE A 73 3.610 -4.173 5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.532 -4.005 6.817 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.569 -5.359 7.375 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.875 -3.679 4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.010 -7.145 5.906 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.289 -4.865 2.201 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.428 -8.331 3.744 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.564 -7.176 1.918 1.00 0.00 H new ATOM 1095 N PRO A 74 3.044 -4.527 8.428 1.00 0.00 N ATOM 1096 CA PRO A 74 2.486 -4.497 9.769 1.00 0.00 C ATOM 1097 C PRO A 74 3.524 -4.939 10.803 1.00 0.00 C ATOM 1098 O PRO A 74 4.637 -5.324 10.447 1.00 0.00 O ATOM 1099 CB PRO A 74 1.276 -5.414 9.713 1.00 0.00 C ATOM 1100 CG PRO A 74 1.467 -6.281 8.481 1.00 0.00 C ATOM 1101 CD PRO A 74 2.568 -5.659 7.638 1.00 0.00 C ATOM 0 HA PRO A 74 2.194 -3.494 10.081 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.207 -6.025 10.613 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.353 -4.839 9.646 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.735 -7.298 8.768 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.540 -6.344 7.911 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.369 -6.372 7.445 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.189 -5.334 6.669 1.00 0.00 H new ATOM 1106 N LYS A 75 3.123 -4.870 12.065 1.00 0.00 N ATOM 1107 CA LYS A 75 4.003 -5.258 13.153 1.00 0.00 C ATOM 1108 C LYS A 75 3.545 -6.604 13.718 1.00 0.00 C ATOM 1109 O LYS A 75 2.396 -6.748 14.134 1.00 0.00 O ATOM 1110 CB LYS A 75 4.083 -4.146 14.201 1.00 0.00 C ATOM 1111 CG LYS A 75 4.880 -4.602 15.425 1.00 0.00 C ATOM 1112 CD LYS A 75 5.529 -3.410 16.131 1.00 0.00 C ATOM 1113 CE LYS A 75 4.539 -2.728 17.078 1.00 0.00 C ATOM 1114 NZ LYS A 75 3.658 -1.805 16.329 1.00 0.00 N ATOM 0 H LYS A 75 2.199 -4.551 12.357 1.00 0.00 H new ATOM 0 HA LYS A 75 5.021 -5.394 12.789 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.552 -3.264 13.765 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.078 -3.855 14.505 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.221 -5.125 16.118 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.649 -5.311 15.119 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.401 -3.746 16.691 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.883 -2.693 15.390 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.938 -3.480 17.588 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.082 -2.178 17.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.401 -1.001 16.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.157 -1.457 15.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.796 -2.308 16.038 1.00 0.00 H new ATOM 1124 N LYS A 76 4.466 -7.555 13.716 1.00 0.00 N ATOM 1125 CA LYS A 76 4.172 -8.885 14.222 1.00 0.00 C ATOM 1126 C LYS A 76 5.478 -9.575 14.620 1.00 0.00 C ATOM 1127 O LYS A 76 6.559 -9.132 14.239 1.00 0.00 O ATOM 1128 CB LYS A 76 3.342 -9.674 13.208 1.00 0.00 C ATOM 1129 CG LYS A 76 1.931 -9.937 13.739 1.00 0.00 C ATOM 1130 CD LYS A 76 1.372 -11.247 13.182 1.00 0.00 C ATOM 1131 CE LYS A 76 -0.111 -11.106 12.834 1.00 0.00 C ATOM 1132 NZ LYS A 76 -0.769 -12.432 12.819 1.00 0.00 N ATOM 0 H LYS A 76 5.418 -7.431 13.372 1.00 0.00 H new ATOM 0 HA LYS A 76 3.558 -8.823 15.120 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.284 -9.120 12.271 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.834 -10.621 12.989 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.950 -9.979 14.828 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.275 -9.111 13.464 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.932 -11.537 12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.503 -12.043 13.915 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.601 -10.459 13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.218 -10.629 11.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.775 -12.318 12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.312 -13.038 12.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.683 -12.873 13.757 1.00 0.00 H new ATOM 1142 N GLU A 77 5.334 -10.652 15.379 1.00 0.00 N ATOM 1143 CA GLU A 77 6.489 -11.409 15.832 1.00 0.00 C ATOM 1144 C GLU A 77 7.537 -11.493 14.720 1.00 0.00 C ATOM 1145 O GLU A 77 7.193 -11.515 13.539 1.00 0.00 O ATOM 1146 CB GLU A 77 6.078 -12.804 16.306 1.00 0.00 C ATOM 1147 CG GLU A 77 6.161 -12.912 17.830 1.00 0.00 C ATOM 1148 CD GLU A 77 4.890 -13.540 18.405 1.00 0.00 C ATOM 1149 OE1 GLU A 77 3.803 -13.183 17.901 1.00 0.00 O ATOM 1150 OE2 GLU A 77 5.033 -14.363 19.335 1.00 0.00 O ATOM 0 H GLU A 77 4.435 -11.018 15.692 1.00 0.00 H new ATOM 0 HA GLU A 77 6.931 -10.889 16.682 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.061 -13.019 15.978 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.725 -13.553 15.849 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.026 -13.513 18.109 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.309 -11.922 18.261 1.00 0.00 H new ATOM 1155 N ALA A 78 8.793 -11.539 15.138 1.00 0.00 N ATOM 1156 CA ALA A 78 9.893 -11.621 14.192 1.00 0.00 C ATOM 1157 C ALA A 78 10.765 -12.832 14.533 1.00 0.00 C ATOM 1158 O ALA A 78 11.334 -12.904 15.620 1.00 0.00 O ATOM 1159 CB ALA A 78 10.682 -10.311 14.212 1.00 0.00 C ATOM 0 H ALA A 78 9.074 -11.521 16.118 1.00 0.00 H new ATOM 0 HA ALA A 78 9.517 -11.760 13.178 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.507 -10.372 13.502 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.025 -9.486 13.934 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.077 -10.139 15.213 1.00 0.00 H new ATOM 1165 N LYS A 79 10.840 -13.753 13.583 1.00 0.00 N ATOM 1166 CA LYS A 79 11.631 -14.956 13.769 1.00 0.00 C ATOM 1167 C LYS A 79 13.093 -14.658 13.431 1.00 0.00 C ATOM 1168 O LYS A 79 13.926 -14.525 14.326 1.00 0.00 O ATOM 1169 CB LYS A 79 11.039 -16.117 12.966 1.00 0.00 C ATOM 1170 CG LYS A 79 10.645 -17.275 13.885 1.00 0.00 C ATOM 1171 CD LYS A 79 9.779 -18.294 13.142 1.00 0.00 C ATOM 1172 CE LYS A 79 10.625 -19.141 12.189 1.00 0.00 C ATOM 1173 NZ LYS A 79 10.178 -18.951 10.792 1.00 0.00 N ATOM 0 H LYS A 79 10.366 -13.689 12.682 1.00 0.00 H new ATOM 0 HA LYS A 79 11.602 -15.272 14.812 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.165 -15.773 12.413 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.765 -16.463 12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.542 -17.763 14.266 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.101 -16.890 14.748 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.276 -18.941 13.860 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.002 -17.776 12.581 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.675 -18.864 12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.547 -20.193 12.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.762 -19.533 10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.182 -19.237 10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.275 -17.949 10.530 1.00 0.00 H new ATOM 1183 N THR A 80 13.360 -14.561 12.136 1.00 0.00 N ATOM 1184 CA THR A 80 14.708 -14.280 11.670 1.00 0.00 C ATOM 1185 C THR A 80 15.656 -15.413 12.066 1.00 0.00 C ATOM 1186 O THR A 80 15.479 -16.040 13.109 1.00 0.00 O ATOM 1187 CB THR A 80 15.125 -12.917 12.223 1.00 0.00 C ATOM 1188 OG1 THR A 80 13.915 -12.164 12.240 1.00 0.00 O ATOM 1189 CG2 THR A 80 16.030 -12.146 11.259 1.00 0.00 C ATOM 0 H THR A 80 12.667 -14.672 11.396 1.00 0.00 H new ATOM 0 HA THR A 80 14.748 -14.231 10.582 1.00 0.00 H new ATOM 0 HB THR A 80 15.640 -13.053 13.174 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.094 -11.265 12.587 1.00 0.00 H new ATOM 0 HG21 THR A 80 16.297 -11.186 11.700 1.00 0.00 H new ATOM 0 HG22 THR A 80 16.935 -12.723 11.070 1.00 0.00 H new ATOM 0 HG23 THR A 80 15.503 -11.980 10.319 1.00 0.00 H new ATOM 1197 N PRO A 81 16.670 -15.648 11.189 1.00 0.00 N ATOM 1198 CA PRO A 81 17.647 -16.694 11.437 1.00 0.00 C ATOM 1199 C PRO A 81 18.638 -16.273 12.524 1.00 0.00 C ATOM 1200 O PRO A 81 19.108 -15.136 12.533 1.00 0.00 O ATOM 1201 CB PRO A 81 18.310 -16.939 10.092 1.00 0.00 C ATOM 1202 CG PRO A 81 18.011 -15.710 9.250 1.00 0.00 C ATOM 1203 CD PRO A 81 16.911 -14.924 9.945 1.00 0.00 C ATOM 0 HA PRO A 81 17.195 -17.610 11.817 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.384 -17.082 10.207 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.917 -17.840 9.621 1.00 0.00 H new ATOM 0 HG2 PRO A 81 18.905 -15.097 9.138 1.00 0.00 H new ATOM 0 HG3 PRO A 81 17.697 -16.001 8.248 1.00 0.00 H new ATOM 0 HD2 PRO A 81 17.219 -13.896 10.138 1.00 0.00 H new ATOM 0 HD3 PRO A 81 16.010 -14.877 9.333 1.00 0.00 H new ATOM 1208 N SER A 82 18.925 -17.210 13.415 1.00 0.00 N ATOM 1209 CA SER A 82 19.851 -16.951 14.503 1.00 0.00 C ATOM 1210 C SER A 82 21.189 -16.459 13.947 1.00 0.00 C ATOM 1211 O SER A 82 21.498 -16.682 12.776 1.00 0.00 O ATOM 1212 CB SER A 82 20.060 -18.201 15.360 1.00 0.00 C ATOM 1213 OG SER A 82 20.835 -19.187 14.683 1.00 0.00 O ATOM 0 H SER A 82 18.532 -18.151 13.405 1.00 0.00 H new ATOM 0 HA SER A 82 19.422 -16.176 15.138 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.557 -17.924 16.290 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.092 -18.623 15.629 1.00 0.00 H new ATOM 0 HG SER A 82 20.948 -19.969 15.263 1.00 0.00 H new ATOM 1218 N GLY A 83 21.948 -15.801 14.811 1.00 0.00 N ATOM 1219 CA GLY A 83 23.246 -15.278 14.419 1.00 0.00 C ATOM 1220 C GLY A 83 23.971 -16.250 13.488 1.00 0.00 C ATOM 1221 O GLY A 83 23.738 -17.457 13.539 1.00 0.00 O ATOM 0 H GLY A 83 21.689 -15.618 15.781 1.00 0.00 H new ATOM 0 HA2 GLY A 83 23.119 -14.317 13.920 1.00 0.00 H new ATOM 0 HA3 GLY A 83 23.853 -15.098 15.307 1.00 0.00 H new ATOM 1225 N PRO A 84 24.861 -15.673 12.635 1.00 0.00 N ATOM 1226 CA PRO A 84 25.623 -16.476 11.693 1.00 0.00 C ATOM 1227 C PRO A 84 26.744 -17.237 12.403 1.00 0.00 C ATOM 1228 O PRO A 84 27.066 -16.946 13.554 1.00 0.00 O ATOM 1229 CB PRO A 84 26.137 -15.487 10.660 1.00 0.00 C ATOM 1230 CG PRO A 84 26.039 -14.116 11.310 1.00 0.00 C ATOM 1231 CD PRO A 84 25.163 -14.248 12.546 1.00 0.00 C ATOM 0 HA PRO A 84 25.022 -17.251 11.218 1.00 0.00 H new ATOM 0 HB2 PRO A 84 27.166 -15.714 10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 84 25.542 -15.530 9.748 1.00 0.00 H new ATOM 0 HG2 PRO A 84 27.029 -13.750 11.581 1.00 0.00 H new ATOM 0 HG3 PRO A 84 25.612 -13.393 10.615 1.00 0.00 H new ATOM 0 HD2 PRO A 84 25.681 -13.897 13.438 1.00 0.00 H new ATOM 0 HD3 PRO A 84 24.253 -13.655 12.452 1.00 0.00 H new ATOM 1236 N SER A 85 27.309 -18.198 11.686 1.00 0.00 N ATOM 1237 CA SER A 85 28.387 -19.004 12.233 1.00 0.00 C ATOM 1238 C SER A 85 29.581 -19.000 11.276 1.00 0.00 C ATOM 1239 O SER A 85 29.454 -18.593 10.122 1.00 0.00 O ATOM 1240 CB SER A 85 27.924 -20.438 12.498 1.00 0.00 C ATOM 1241 OG SER A 85 28.279 -20.881 13.805 1.00 0.00 O ATOM 0 H SER A 85 27.040 -18.436 10.731 1.00 0.00 H new ATOM 0 HA SER A 85 28.690 -18.568 13.185 1.00 0.00 H new ATOM 0 HB2 SER A 85 26.842 -20.498 12.376 1.00 0.00 H new ATOM 0 HB3 SER A 85 28.366 -21.104 11.757 1.00 0.00 H new ATOM 0 HG SER A 85 27.964 -21.800 13.936 1.00 0.00 H new ATOM 1246 N SER A 86 30.712 -19.456 11.790 1.00 0.00 N ATOM 1247 CA SER A 86 31.928 -19.510 10.995 1.00 0.00 C ATOM 1248 C SER A 86 32.329 -18.100 10.557 1.00 0.00 C ATOM 1249 O SER A 86 31.496 -17.197 10.521 1.00 0.00 O ATOM 1250 CB SER A 86 31.748 -20.414 9.774 1.00 0.00 C ATOM 1251 OG SER A 86 31.734 -21.795 10.129 1.00 0.00 O ATOM 0 H SER A 86 30.813 -19.792 12.748 1.00 0.00 H new ATOM 0 HA SER A 86 32.722 -19.932 11.612 1.00 0.00 H new ATOM 0 HB2 SER A 86 30.816 -20.160 9.269 1.00 0.00 H new ATOM 0 HB3 SER A 86 32.555 -20.230 9.065 1.00 0.00 H new ATOM 0 HG SER A 86 31.615 -22.339 9.322 1.00 0.00 H new ATOM 1256 N GLY A 87 33.607 -17.956 10.235 1.00 0.00 N ATOM 1257 CA GLY A 87 34.129 -16.672 9.801 1.00 0.00 C ATOM 1258 C GLY A 87 33.437 -16.204 8.519 1.00 0.00 C ATOM 1259 O GLY A 87 33.430 -15.013 8.212 1.00 0.00 O ATOM 0 H GLY A 87 34.296 -18.708 10.266 1.00 0.00 H new ATOM 0 HA2 GLY A 87 33.984 -15.932 10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 87 35.203 -16.751 9.631 1.00 0.00 H new TER 1263 GLY A 87