USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 ASN : amide:sc= 0 X(o=0,f=0.039) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 84 HIS :FLIP no HD1:sc= -4.57! C(o=-6.9!,f=-4.7!) USER MOD Set 2.2: A 86 MET CE :methyl 172:sc= -0.101 (180deg=0) USER MOD Set 3.1: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 MET CE :methyl -134:sc= -2.23 (180deg=-4.62!) USER MOD Set 4.1: A 54 GLN : amide:sc= -6.3! C(o=-6.4!,f=-10!) USER MOD Set 4.2: A 58 LYS NZ :NH3+ -137:sc= -0.098 (180deg=-0.478) USER MOD Set 5.1: A 32 ASN : amide:sc= -0.892 X(o=-2,f=-2.3) USER MOD Set 5.2: A 76 MET CE :methyl -150:sc= -1.11 (180deg=-0.674) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0209 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 159:sc= -0.241 (180deg=-1.56) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 160:sc= -0.0174 USER MOD Single : A 14 MET CE :methyl 172:sc= -4.63! (180deg=-4.71!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.49 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 171:sc= -1.63 (180deg=-1.96) USER MOD Single : A 37 TYR OH : rot 50:sc= -1.15 USER MOD Single : A 38 CYS SG : rot 180:sc= -2.23! USER MOD Single : A 43 HIS :FLIP no HD1:sc= -1.24 F(o=-3.1!,f=-1.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.6) USER MOD Single : A 51 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.4!) USER MOD Single : A 53 THR OG1 : rot -179:sc= -0.879 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 71 GLN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -169:sc= -1.59 (180deg=-2.24!) USER MOD Single : A 85 HIS :FLIP no HD1:sc= -0.0749 F(o=-0.99,f=-0.075) USER MOD Single : A 89 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.46) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -10:sc= 0.956 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0159 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.476 19.913 -12.557 1.00 0.00 N ATOM 2 CA GLY A 1 -6.022 18.873 -13.408 1.00 0.00 C ATOM 3 C GLY A 1 -5.640 17.482 -12.943 1.00 0.00 C ATOM 4 O GLY A 1 -5.491 17.239 -11.746 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.179 20.671 -12.440 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.241 19.512 -11.626 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.616 20.303 -12.993 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.108 18.959 -13.430 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.669 19.021 -14.429 1.00 0.00 H new ATOM 8 N SER A 2 -5.482 16.564 -13.892 1.00 0.00 N ATOM 9 CA SER A 2 -5.120 15.188 -13.573 1.00 0.00 C ATOM 10 C SER A 2 -3.842 14.780 -14.298 1.00 0.00 C ATOM 11 O SER A 2 -3.618 15.161 -15.447 1.00 0.00 O ATOM 12 CB SER A 2 -6.259 14.239 -13.950 1.00 0.00 C ATOM 13 OG SER A 2 -6.170 13.023 -13.226 1.00 0.00 O ATOM 0 H SER A 2 -5.599 16.749 -14.888 1.00 0.00 H new ATOM 0 HA SER A 2 -4.943 15.124 -12.499 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.217 14.717 -13.747 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.226 14.032 -15.020 1.00 0.00 H new ATOM 0 HG SER A 2 -6.910 12.434 -13.483 1.00 0.00 H new ATOM 19 N SER A 3 -3.005 14.003 -13.617 1.00 0.00 N ATOM 20 CA SER A 3 -1.747 13.545 -14.194 1.00 0.00 C ATOM 21 C SER A 3 -1.494 12.079 -13.854 1.00 0.00 C ATOM 22 O SER A 3 -2.148 11.512 -12.980 1.00 0.00 O ATOM 23 CB SER A 3 -0.587 14.405 -13.688 1.00 0.00 C ATOM 24 OG SER A 3 -0.651 15.715 -14.224 1.00 0.00 O ATOM 0 H SER A 3 -3.176 13.678 -12.665 1.00 0.00 H new ATOM 0 HA SER A 3 -1.817 13.641 -15.277 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.614 14.453 -12.599 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.360 13.942 -13.964 1.00 0.00 H new ATOM 0 HG SER A 3 0.100 16.245 -13.884 1.00 0.00 H new ATOM 30 N GLY A 4 -0.540 11.472 -14.553 1.00 0.00 N ATOM 31 CA GLY A 4 -0.217 10.078 -14.312 1.00 0.00 C ATOM 32 C GLY A 4 0.352 9.394 -15.539 1.00 0.00 C ATOM 33 O GLY A 4 0.076 9.799 -16.668 1.00 0.00 O ATOM 0 H GLY A 4 0.015 11.921 -15.282 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.503 10.011 -13.496 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.115 9.551 -13.989 1.00 0.00 H new ATOM 37 N SER A 5 1.151 8.355 -15.319 1.00 0.00 N ATOM 38 CA SER A 5 1.764 7.616 -16.416 1.00 0.00 C ATOM 39 C SER A 5 0.707 6.877 -17.231 1.00 0.00 C ATOM 40 O SER A 5 0.462 5.689 -17.018 1.00 0.00 O ATOM 41 CB SER A 5 2.795 6.623 -15.876 1.00 0.00 C ATOM 42 OG SER A 5 3.569 6.070 -16.927 1.00 0.00 O ATOM 0 H SER A 5 1.389 8.006 -14.391 1.00 0.00 H new ATOM 0 HA SER A 5 2.266 8.331 -17.068 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.449 7.125 -15.163 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.287 5.825 -15.335 1.00 0.00 H new ATOM 0 HG SER A 5 4.221 5.440 -16.556 1.00 0.00 H new ATOM 48 N SER A 6 0.085 7.588 -18.165 1.00 0.00 N ATOM 49 CA SER A 6 -0.948 7.002 -19.011 1.00 0.00 C ATOM 50 C SER A 6 -0.394 6.667 -20.392 1.00 0.00 C ATOM 51 O SER A 6 -0.444 7.485 -21.309 1.00 0.00 O ATOM 52 CB SER A 6 -2.133 7.961 -19.143 1.00 0.00 C ATOM 53 OG SER A 6 -3.222 7.338 -19.804 1.00 0.00 O ATOM 0 H SER A 6 0.278 8.571 -18.355 1.00 0.00 H new ATOM 0 HA SER A 6 -1.287 6.079 -18.541 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.447 8.295 -18.154 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.827 8.848 -19.697 1.00 0.00 H new ATOM 0 HG SER A 6 -3.967 7.971 -19.875 1.00 0.00 H new ATOM 59 N GLY A 7 0.135 5.455 -20.532 1.00 0.00 N ATOM 60 CA GLY A 7 0.692 5.031 -21.804 1.00 0.00 C ATOM 61 C GLY A 7 1.731 6.000 -22.333 1.00 0.00 C ATOM 62 O GLY A 7 1.391 7.060 -22.857 1.00 0.00 O ATOM 0 H GLY A 7 0.188 4.759 -19.788 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.144 4.046 -21.689 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.111 4.930 -22.534 1.00 0.00 H new ATOM 66 N MET A 8 3.002 5.636 -22.194 1.00 0.00 N ATOM 67 CA MET A 8 4.093 6.481 -22.664 1.00 0.00 C ATOM 68 C MET A 8 4.823 5.827 -23.833 1.00 0.00 C ATOM 69 O MET A 8 4.623 4.647 -24.121 1.00 0.00 O ATOM 70 CB MET A 8 5.077 6.759 -21.525 1.00 0.00 C ATOM 71 CG MET A 8 5.461 5.518 -20.737 1.00 0.00 C ATOM 72 SD MET A 8 6.435 4.352 -21.709 1.00 0.00 S ATOM 73 CE MET A 8 8.096 4.806 -21.217 1.00 0.00 C ATOM 0 H MET A 8 3.301 4.763 -21.760 1.00 0.00 H new ATOM 0 HA MET A 8 3.667 7.424 -23.007 1.00 0.00 H new ATOM 0 HB2 MET A 8 5.979 7.211 -21.937 1.00 0.00 H new ATOM 0 HB3 MET A 8 4.637 7.489 -20.846 1.00 0.00 H new ATOM 0 HG2 MET A 8 6.029 5.814 -19.855 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.557 5.023 -20.382 1.00 0.00 H new ATOM 0 HE1 MET A 8 8.774 3.977 -21.418 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.416 5.682 -21.781 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.110 5.036 -20.152 1.00 0.00 H new ATOM 83 N LEU A 9 5.670 6.601 -24.503 1.00 0.00 N ATOM 84 CA LEU A 9 6.430 6.097 -25.641 1.00 0.00 C ATOM 85 C LEU A 9 7.833 5.674 -25.215 1.00 0.00 C ATOM 86 O LEU A 9 8.777 6.460 -25.288 1.00 0.00 O ATOM 87 CB LEU A 9 6.517 7.163 -26.735 1.00 0.00 C ATOM 88 CG LEU A 9 5.377 7.173 -27.754 1.00 0.00 C ATOM 89 CD1 LEU A 9 4.077 7.608 -27.097 1.00 0.00 C ATOM 90 CD2 LEU A 9 5.717 8.085 -28.924 1.00 0.00 C ATOM 0 H LEU A 9 5.848 7.580 -24.278 1.00 0.00 H new ATOM 0 HA LEU A 9 5.910 5.223 -26.034 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.560 8.142 -26.258 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.456 7.029 -27.272 1.00 0.00 H new ATOM 0 HG LEU A 9 5.246 6.160 -28.134 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.277 7.609 -27.838 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.826 6.916 -26.293 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.194 8.612 -26.688 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.895 8.080 -29.640 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.875 9.100 -28.560 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.624 7.729 -29.411 1.00 0.00 H new ATOM 102 N SER A 10 7.960 4.428 -24.772 1.00 0.00 N ATOM 103 CA SER A 10 9.247 3.900 -24.333 1.00 0.00 C ATOM 104 C SER A 10 10.273 3.966 -25.460 1.00 0.00 C ATOM 105 O SER A 10 9.931 3.834 -26.635 1.00 0.00 O ATOM 106 CB SER A 10 9.093 2.457 -23.852 1.00 0.00 C ATOM 107 OG SER A 10 8.640 1.615 -24.898 1.00 0.00 O ATOM 0 H SER A 10 7.188 3.765 -24.707 1.00 0.00 H new ATOM 0 HA SER A 10 9.601 4.515 -23.506 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.049 2.092 -23.476 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.388 2.421 -23.021 1.00 0.00 H new ATOM 0 HG SER A 10 8.552 0.698 -24.565 1.00 0.00 H new ATOM 113 N ALA A 11 11.534 4.171 -25.093 1.00 0.00 N ATOM 114 CA ALA A 11 12.611 4.252 -26.071 1.00 0.00 C ATOM 115 C ALA A 11 13.339 2.918 -26.199 1.00 0.00 C ATOM 116 O ALA A 11 14.348 2.685 -25.533 1.00 0.00 O ATOM 117 CB ALA A 11 13.588 5.355 -25.690 1.00 0.00 C ATOM 0 H ALA A 11 11.834 4.284 -24.125 1.00 0.00 H new ATOM 0 HA ALA A 11 12.171 4.490 -27.040 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.387 5.404 -26.429 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.064 6.310 -25.658 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.013 5.142 -24.709 1.00 0.00 H new ATOM 123 N ARG A 12 12.821 2.047 -27.058 1.00 0.00 N ATOM 124 CA ARG A 12 13.422 0.735 -27.271 1.00 0.00 C ATOM 125 C ARG A 12 14.945 0.828 -27.270 1.00 0.00 C ATOM 126 O ARG A 12 15.633 -0.083 -26.809 1.00 0.00 O ATOM 127 CB ARG A 12 12.937 0.138 -28.593 1.00 0.00 C ATOM 128 CG ARG A 12 11.488 0.466 -28.915 1.00 0.00 C ATOM 129 CD ARG A 12 10.581 0.209 -27.723 1.00 0.00 C ATOM 130 NE ARG A 12 10.332 -1.216 -27.521 1.00 0.00 N ATOM 131 CZ ARG A 12 9.511 -1.933 -28.280 1.00 0.00 C ATOM 132 NH1 ARG A 12 8.864 -1.362 -29.287 1.00 0.00 N ATOM 133 NH2 ARG A 12 9.337 -3.225 -28.034 1.00 0.00 N ATOM 0 H ARG A 12 11.987 2.225 -27.618 1.00 0.00 H new ATOM 0 HA ARG A 12 13.115 0.085 -26.452 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.571 0.503 -29.401 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.056 -0.945 -28.558 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.408 1.511 -29.216 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.157 -0.135 -29.762 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.035 0.628 -26.825 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.632 0.725 -27.871 1.00 0.00 H new ATOM 0 HE ARG A 12 10.815 -1.686 -26.755 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.996 -0.369 -29.481 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.234 -1.916 -29.868 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.834 -3.669 -27.261 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.706 -3.775 -28.617 1.00 0.00 H new ATOM 147 N THR A 13 15.466 1.935 -27.790 1.00 0.00 N ATOM 148 CA THR A 13 16.906 2.146 -27.852 1.00 0.00 C ATOM 149 C THR A 13 17.333 3.296 -26.947 1.00 0.00 C ATOM 150 O THR A 13 16.499 4.065 -26.470 1.00 0.00 O ATOM 151 CB THR A 13 17.369 2.442 -29.291 1.00 0.00 C ATOM 152 OG1 THR A 13 18.789 2.282 -29.392 1.00 0.00 O ATOM 153 CG2 THR A 13 16.982 3.854 -29.705 1.00 0.00 C ATOM 0 H THR A 13 14.911 2.700 -28.174 1.00 0.00 H new ATOM 0 HA THR A 13 17.375 1.224 -27.509 1.00 0.00 H new ATOM 0 HB THR A 13 16.876 1.736 -29.960 1.00 0.00 H new ATOM 0 HG1 THR A 13 19.038 2.152 -30.331 1.00 0.00 H new ATOM 0 HG21 THR A 13 17.320 4.040 -30.725 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.899 3.964 -29.656 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.450 4.572 -29.032 1.00 0.00 H new ATOM 161 N MET A 14 18.637 3.407 -26.714 1.00 0.00 N ATOM 162 CA MET A 14 19.174 4.465 -25.866 1.00 0.00 C ATOM 163 C MET A 14 20.390 5.118 -26.516 1.00 0.00 C ATOM 164 O MET A 14 21.097 5.903 -25.885 1.00 0.00 O ATOM 165 CB MET A 14 19.553 3.906 -24.494 1.00 0.00 C ATOM 166 CG MET A 14 18.700 2.725 -24.062 1.00 0.00 C ATOM 167 SD MET A 14 18.575 2.577 -22.269 1.00 0.00 S ATOM 168 CE MET A 14 20.270 2.894 -21.785 1.00 0.00 C ATOM 0 H MET A 14 19.341 2.778 -27.100 1.00 0.00 H new ATOM 0 HA MET A 14 18.401 5.223 -25.740 1.00 0.00 H new ATOM 0 HB2 MET A 14 20.599 3.601 -24.512 1.00 0.00 H new ATOM 0 HB3 MET A 14 19.465 4.699 -23.751 1.00 0.00 H new ATOM 0 HG2 MET A 14 17.701 2.830 -24.485 1.00 0.00 H new ATOM 0 HG3 MET A 14 19.124 1.807 -24.470 1.00 0.00 H new ATOM 0 HE1 MET A 14 20.329 2.979 -20.700 1.00 0.00 H new ATOM 0 HE2 MET A 14 20.904 2.073 -22.120 1.00 0.00 H new ATOM 0 HE3 MET A 14 20.611 3.824 -22.240 1.00 0.00 H new ATOM 178 N LYS A 15 20.627 4.788 -27.781 1.00 0.00 N ATOM 179 CA LYS A 15 21.756 5.343 -28.518 1.00 0.00 C ATOM 180 C LYS A 15 21.724 6.868 -28.495 1.00 0.00 C ATOM 181 O LYS A 15 22.768 7.518 -28.437 1.00 0.00 O ATOM 182 CB LYS A 15 21.742 4.844 -29.965 1.00 0.00 C ATOM 183 CG LYS A 15 22.191 3.401 -30.115 1.00 0.00 C ATOM 184 CD LYS A 15 21.816 2.839 -31.476 1.00 0.00 C ATOM 185 CE LYS A 15 22.411 1.455 -31.690 1.00 0.00 C ATOM 186 NZ LYS A 15 22.358 1.044 -33.121 1.00 0.00 N ATOM 0 H LYS A 15 20.052 4.139 -28.317 1.00 0.00 H new ATOM 0 HA LYS A 15 22.673 5.009 -28.034 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.733 4.945 -30.366 1.00 0.00 H new ATOM 0 HB3 LYS A 15 22.390 5.482 -30.567 1.00 0.00 H new ATOM 0 HG2 LYS A 15 23.271 3.339 -29.980 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.736 2.794 -29.332 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.731 2.787 -31.563 1.00 0.00 H new ATOM 0 HD3 LYS A 15 22.167 3.512 -32.258 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.446 1.448 -31.348 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.870 0.729 -31.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 22.773 0.096 -33.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.369 1.026 -33.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.896 1.722 -33.697 1.00 0.00 H new ATOM 200 N GLU A 16 20.521 7.431 -28.539 1.00 0.00 N ATOM 201 CA GLU A 16 20.355 8.880 -28.523 1.00 0.00 C ATOM 202 C GLU A 16 20.126 9.385 -27.101 1.00 0.00 C ATOM 203 O GLU A 16 20.825 10.281 -26.628 1.00 0.00 O ATOM 204 CB GLU A 16 19.184 9.292 -29.417 1.00 0.00 C ATOM 205 CG GLU A 16 18.115 8.220 -29.553 1.00 0.00 C ATOM 206 CD GLU A 16 16.760 8.791 -29.923 1.00 0.00 C ATOM 207 OE1 GLU A 16 16.666 9.459 -30.974 1.00 0.00 O ATOM 208 OE2 GLU A 16 15.795 8.572 -29.162 1.00 0.00 O ATOM 0 H GLU A 16 19.647 6.907 -28.586 1.00 0.00 H new ATOM 0 HA GLU A 16 21.271 9.329 -28.907 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.730 10.197 -29.013 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.564 9.542 -30.408 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.422 7.501 -30.312 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.031 7.675 -28.613 1.00 0.00 H new ATOM 215 N VAL A 17 19.140 8.803 -26.425 1.00 0.00 N ATOM 216 CA VAL A 17 18.818 9.192 -25.057 1.00 0.00 C ATOM 217 C VAL A 17 18.954 10.699 -24.868 1.00 0.00 C ATOM 218 O VAL A 17 19.211 11.176 -23.763 1.00 0.00 O ATOM 219 CB VAL A 17 19.726 8.475 -24.041 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.126 9.069 -24.061 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.126 8.551 -22.645 1.00 0.00 C ATOM 0 H VAL A 17 18.551 8.061 -26.802 1.00 0.00 H new ATOM 0 HA VAL A 17 17.784 8.898 -24.880 1.00 0.00 H new ATOM 0 HB VAL A 17 19.800 7.425 -24.324 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.752 8.549 -23.336 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.554 8.957 -25.057 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.076 10.127 -23.804 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.780 8.039 -21.939 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.021 9.595 -22.351 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.146 8.073 -22.643 1.00 0.00 H new ATOM 231 N VAL A 18 18.779 11.444 -25.955 1.00 0.00 N ATOM 232 CA VAL A 18 18.880 12.898 -25.909 1.00 0.00 C ATOM 233 C VAL A 18 17.555 13.553 -26.282 1.00 0.00 C ATOM 234 O VAL A 18 17.150 14.547 -25.679 1.00 0.00 O ATOM 235 CB VAL A 18 19.980 13.414 -26.856 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.355 13.006 -26.350 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.749 12.901 -28.270 1.00 0.00 C ATOM 0 H VAL A 18 18.567 11.065 -26.878 1.00 0.00 H new ATOM 0 HA VAL A 18 19.138 13.165 -24.884 1.00 0.00 H new ATOM 0 HB VAL A 18 19.936 14.503 -26.877 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.119 13.379 -27.032 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.517 13.427 -25.358 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.416 11.919 -26.297 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.535 13.275 -28.926 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.765 11.811 -28.269 1.00 0.00 H new ATOM 0 HG23 VAL A 18 18.781 13.249 -28.630 1.00 0.00 H new ATOM 247 N TYR A 19 16.883 12.990 -27.280 1.00 0.00 N ATOM 248 CA TYR A 19 15.604 13.520 -27.736 1.00 0.00 C ATOM 249 C TYR A 19 14.456 12.975 -26.891 1.00 0.00 C ATOM 250 O TYR A 19 13.289 13.278 -27.141 1.00 0.00 O ATOM 251 CB TYR A 19 15.379 13.172 -29.208 1.00 0.00 C ATOM 252 CG TYR A 19 16.574 13.460 -30.088 1.00 0.00 C ATOM 253 CD1 TYR A 19 16.799 14.736 -30.591 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.477 12.457 -30.417 1.00 0.00 C ATOM 255 CE1 TYR A 19 17.889 15.004 -31.396 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.571 12.716 -31.220 1.00 0.00 C ATOM 257 CZ TYR A 19 18.772 13.991 -31.707 1.00 0.00 C ATOM 258 OH TYR A 19 19.860 14.253 -32.509 1.00 0.00 O ATOM 0 H TYR A 19 17.203 12.166 -27.789 1.00 0.00 H new ATOM 0 HA TYR A 19 15.629 14.604 -27.626 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.126 12.115 -29.288 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.522 13.734 -29.579 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.110 15.531 -30.348 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.321 11.458 -30.039 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.049 16.001 -31.780 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.265 11.925 -31.465 1.00 0.00 H new ATOM 0 HH TYR A 19 20.382 13.433 -32.630 1.00 0.00 H new ATOM 268 N TRP A 20 14.796 12.172 -25.890 1.00 0.00 N ATOM 269 CA TRP A 20 13.795 11.584 -25.007 1.00 0.00 C ATOM 270 C TRP A 20 12.837 12.650 -24.486 1.00 0.00 C ATOM 271 O TRP A 20 13.040 13.843 -24.709 1.00 0.00 O ATOM 272 CB TRP A 20 14.473 10.873 -23.835 1.00 0.00 C ATOM 273 CG TRP A 20 14.917 9.479 -24.163 1.00 0.00 C ATOM 274 CD1 TRP A 20 14.849 8.862 -25.379 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.494 8.529 -23.260 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.349 7.585 -25.287 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.752 7.357 -23.998 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.819 8.555 -21.902 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.319 6.224 -23.421 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.381 7.429 -21.330 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.627 6.277 -22.088 1.00 0.00 C ATOM 0 H TRP A 20 15.757 11.913 -25.669 1.00 0.00 H new ATOM 0 HA TRP A 20 13.222 10.856 -25.581 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.337 11.456 -23.516 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.783 10.838 -22.992 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.460 9.311 -26.281 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.410 6.916 -26.054 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.635 9.439 -21.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.509 5.335 -24.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.635 7.438 -20.280 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.068 5.414 -21.612 1.00 0.00 H new ATOM 292 N SER A 21 11.793 12.211 -23.790 1.00 0.00 N ATOM 293 CA SER A 21 10.802 13.128 -23.240 1.00 0.00 C ATOM 294 C SER A 21 11.026 13.337 -21.745 1.00 0.00 C ATOM 295 O SER A 21 11.769 12.602 -21.094 1.00 0.00 O ATOM 296 CB SER A 21 9.390 12.593 -23.485 1.00 0.00 C ATOM 297 OG SER A 21 8.842 12.037 -22.302 1.00 0.00 O ATOM 0 H SER A 21 11.612 11.227 -23.594 1.00 0.00 H new ATOM 0 HA SER A 21 10.912 14.088 -23.744 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.749 13.399 -23.842 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.416 11.836 -24.268 1.00 0.00 H new ATOM 0 HG SER A 21 7.939 11.704 -22.485 1.00 0.00 H new ATOM 303 N PRO A 22 10.368 14.364 -21.187 1.00 0.00 N ATOM 304 CA PRO A 22 10.479 14.695 -19.763 1.00 0.00 C ATOM 305 C PRO A 22 9.809 13.654 -18.872 1.00 0.00 C ATOM 306 O PRO A 22 10.043 13.613 -17.664 1.00 0.00 O ATOM 307 CB PRO A 22 9.754 16.039 -19.654 1.00 0.00 C ATOM 308 CG PRO A 22 8.796 16.046 -20.795 1.00 0.00 C ATOM 309 CD PRO A 22 9.465 15.281 -21.903 1.00 0.00 C ATOM 0 HA PRO A 22 11.517 14.727 -19.431 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.235 16.132 -18.700 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.453 16.873 -19.719 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.851 15.580 -20.514 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.568 17.065 -21.107 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.741 14.739 -22.511 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.013 15.942 -22.574 1.00 0.00 H new ATOM 317 N LYS A 23 8.975 12.814 -19.476 1.00 0.00 N ATOM 318 CA LYS A 23 8.272 11.771 -18.738 1.00 0.00 C ATOM 319 C LYS A 23 9.009 10.440 -18.842 1.00 0.00 C ATOM 320 O LYS A 23 8.797 9.536 -18.033 1.00 0.00 O ATOM 321 CB LYS A 23 6.844 11.618 -19.268 1.00 0.00 C ATOM 322 CG LYS A 23 5.879 12.656 -18.722 1.00 0.00 C ATOM 323 CD LYS A 23 6.280 14.062 -19.135 1.00 0.00 C ATOM 324 CE LYS A 23 5.119 15.035 -19.001 1.00 0.00 C ATOM 325 NZ LYS A 23 4.923 15.475 -17.592 1.00 0.00 N ATOM 0 H LYS A 23 8.769 12.835 -20.475 1.00 0.00 H new ATOM 0 HA LYS A 23 8.235 12.065 -17.689 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.860 11.685 -20.356 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.476 10.624 -19.015 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.872 12.443 -19.082 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.849 12.590 -17.634 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.112 14.400 -18.518 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.631 14.053 -20.167 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.300 15.906 -19.631 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.206 14.563 -19.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.123 16.137 -17.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.725 14.647 -16.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.785 15.948 -17.253 1.00 0.00 H new ATOM 339 N LYS A 24 9.878 10.326 -19.841 1.00 0.00 N ATOM 340 CA LYS A 24 10.649 9.107 -20.050 1.00 0.00 C ATOM 341 C LYS A 24 11.878 9.079 -19.147 1.00 0.00 C ATOM 342 O LYS A 24 12.093 8.121 -18.404 1.00 0.00 O ATOM 343 CB LYS A 24 11.077 8.994 -21.515 1.00 0.00 C ATOM 344 CG LYS A 24 12.248 8.052 -21.735 1.00 0.00 C ATOM 345 CD LYS A 24 11.960 6.665 -21.185 1.00 0.00 C ATOM 346 CE LYS A 24 13.088 5.695 -21.499 1.00 0.00 C ATOM 347 NZ LYS A 24 13.036 4.485 -20.633 1.00 0.00 N ATOM 0 H LYS A 24 10.066 11.064 -20.519 1.00 0.00 H new ATOM 0 HA LYS A 24 10.014 8.258 -19.797 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.229 8.650 -22.107 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.344 9.984 -21.884 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.466 7.984 -22.801 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.138 8.458 -21.253 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.818 6.723 -20.106 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.028 6.291 -21.609 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.029 5.396 -22.545 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.046 6.197 -21.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.821 3.849 -20.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.118 4.768 -19.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.132 3.992 -20.780 1.00 0.00 H new ATOM 361 N VAL A 25 12.681 10.136 -19.214 1.00 0.00 N ATOM 362 CA VAL A 25 13.887 10.233 -18.401 1.00 0.00 C ATOM 363 C VAL A 25 13.651 9.682 -17.000 1.00 0.00 C ATOM 364 O VAL A 25 14.522 9.030 -16.423 1.00 0.00 O ATOM 365 CB VAL A 25 14.375 11.690 -18.292 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.591 11.780 -17.383 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.687 12.252 -19.671 1.00 0.00 C ATOM 0 H VAL A 25 12.518 10.938 -19.823 1.00 0.00 H new ATOM 0 HA VAL A 25 14.652 9.637 -18.898 1.00 0.00 H new ATOM 0 HB VAL A 25 13.578 12.289 -17.852 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.921 12.817 -17.319 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.329 11.420 -16.388 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.396 11.168 -17.790 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.030 13.282 -19.575 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.466 11.652 -20.141 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.788 12.225 -20.287 1.00 0.00 H new ATOM 377 N ALA A 26 12.467 9.947 -16.457 1.00 0.00 N ATOM 378 CA ALA A 26 12.115 9.475 -15.123 1.00 0.00 C ATOM 379 C ALA A 26 12.002 7.955 -15.091 1.00 0.00 C ATOM 380 O ALA A 26 12.694 7.288 -14.321 1.00 0.00 O ATOM 381 CB ALA A 26 10.812 10.113 -14.665 1.00 0.00 C ATOM 0 H ALA A 26 11.735 10.486 -16.920 1.00 0.00 H new ATOM 0 HA ALA A 26 12.911 9.768 -14.438 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.561 9.752 -13.668 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.926 11.197 -14.640 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.014 9.848 -15.358 1.00 0.00 H new ATOM 387 N ASP A 27 11.127 7.414 -15.931 1.00 0.00 N ATOM 388 CA ASP A 27 10.923 5.971 -15.998 1.00 0.00 C ATOM 389 C ASP A 27 12.259 5.234 -16.003 1.00 0.00 C ATOM 390 O ASP A 27 12.382 4.151 -15.430 1.00 0.00 O ATOM 391 CB ASP A 27 10.121 5.606 -17.248 1.00 0.00 C ATOM 392 CG ASP A 27 8.626 5.602 -16.996 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.025 6.697 -16.976 1.00 0.00 O ATOM 394 OD2 ASP A 27 8.057 4.505 -16.818 1.00 0.00 O ATOM 0 H ASP A 27 10.547 7.952 -16.575 1.00 0.00 H new ATOM 0 HA ASP A 27 10.363 5.666 -15.114 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.351 6.315 -18.043 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.430 4.622 -17.600 1.00 0.00 H new ATOM 399 N TRP A 28 13.254 5.827 -16.652 1.00 0.00 N ATOM 400 CA TRP A 28 14.580 5.225 -16.731 1.00 0.00 C ATOM 401 C TRP A 28 15.231 5.159 -15.354 1.00 0.00 C ATOM 402 O TRP A 28 15.964 4.218 -15.047 1.00 0.00 O ATOM 403 CB TRP A 28 15.467 6.021 -17.690 1.00 0.00 C ATOM 404 CG TRP A 28 16.891 5.554 -17.708 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.380 4.438 -18.326 1.00 0.00 C ATOM 406 CD2 TRP A 28 18.009 6.189 -17.078 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.735 4.342 -18.118 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.145 5.404 -17.356 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.162 7.345 -16.309 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.414 5.739 -16.890 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.421 7.676 -15.846 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.534 6.876 -16.139 1.00 0.00 C ATOM 0 H TRP A 28 13.168 6.723 -17.131 1.00 0.00 H new ATOM 0 HA TRP A 28 14.468 4.209 -17.108 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.056 5.950 -18.697 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.441 7.074 -17.409 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.789 3.735 -18.894 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.338 3.600 -18.473 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.311 7.969 -16.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.273 5.123 -17.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.550 8.566 -15.248 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.505 7.163 -15.764 1.00 0.00 H new ATOM 423 N LEU A 29 14.959 6.163 -14.527 1.00 0.00 N ATOM 424 CA LEU A 29 15.519 6.219 -13.181 1.00 0.00 C ATOM 425 C LEU A 29 14.980 5.082 -12.320 1.00 0.00 C ATOM 426 O LEU A 29 15.733 4.214 -11.875 1.00 0.00 O ATOM 427 CB LEU A 29 15.198 7.565 -12.529 1.00 0.00 C ATOM 428 CG LEU A 29 15.772 8.801 -13.222 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.066 10.059 -12.742 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.271 8.901 -12.977 1.00 0.00 C ATOM 0 H LEU A 29 14.354 6.949 -14.765 1.00 0.00 H new ATOM 0 HA LEU A 29 16.601 6.110 -13.259 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.114 7.672 -12.478 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.565 7.545 -11.503 1.00 0.00 H new ATOM 0 HG LEU A 29 15.605 8.703 -14.295 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.488 10.928 -13.246 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.002 9.989 -12.970 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.201 10.163 -11.665 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.663 9.786 -13.477 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.460 8.976 -11.906 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.764 8.013 -13.372 1.00 0.00 H new ATOM 442 N LEU A 30 13.672 5.091 -12.089 1.00 0.00 N ATOM 443 CA LEU A 30 13.030 4.058 -11.282 1.00 0.00 C ATOM 444 C LEU A 30 13.382 2.667 -11.798 1.00 0.00 C ATOM 445 O LEU A 30 13.489 1.716 -11.024 1.00 0.00 O ATOM 446 CB LEU A 30 11.512 4.248 -11.290 1.00 0.00 C ATOM 447 CG LEU A 30 11.015 5.689 -11.168 1.00 0.00 C ATOM 448 CD1 LEU A 30 11.951 6.504 -10.289 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.883 6.325 -12.544 1.00 0.00 C ATOM 0 H LEU A 30 13.035 5.802 -12.449 1.00 0.00 H new ATOM 0 HA LEU A 30 13.397 4.150 -10.260 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.118 3.826 -12.215 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.089 3.668 -10.470 1.00 0.00 H new ATOM 0 HG LEU A 30 10.031 5.676 -10.700 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.581 7.527 -10.214 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.995 6.060 -9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.949 6.510 -10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.528 7.350 -12.438 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.854 6.326 -13.039 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.172 5.755 -13.142 1.00 0.00 H new ATOM 461 N GLU A 31 13.564 2.556 -13.110 1.00 0.00 N ATOM 462 CA GLU A 31 13.907 1.280 -13.728 1.00 0.00 C ATOM 463 C GLU A 31 15.162 0.688 -13.094 1.00 0.00 C ATOM 464 O GLU A 31 15.371 -0.524 -13.121 1.00 0.00 O ATOM 465 CB GLU A 31 14.118 1.458 -15.233 1.00 0.00 C ATOM 466 CG GLU A 31 14.525 0.179 -15.946 1.00 0.00 C ATOM 467 CD GLU A 31 13.340 -0.708 -16.273 1.00 0.00 C ATOM 468 OE1 GLU A 31 12.338 -0.659 -15.530 1.00 0.00 O ATOM 469 OE2 GLU A 31 13.414 -1.451 -17.274 1.00 0.00 O ATOM 0 H GLU A 31 13.480 3.333 -13.765 1.00 0.00 H new ATOM 0 HA GLU A 31 13.078 0.591 -13.563 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.197 1.835 -15.678 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.885 2.215 -15.397 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.050 0.432 -16.867 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.226 -0.374 -15.321 1.00 0.00 H new ATOM 476 N ASN A 32 15.994 1.553 -12.523 1.00 0.00 N ATOM 477 CA ASN A 32 17.230 1.117 -11.882 1.00 0.00 C ATOM 478 C ASN A 32 17.217 1.450 -10.393 1.00 0.00 C ATOM 479 O ASN A 32 18.254 1.419 -9.731 1.00 0.00 O ATOM 480 CB ASN A 32 18.437 1.775 -12.553 1.00 0.00 C ATOM 481 CG ASN A 32 18.546 1.420 -14.023 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.950 0.312 -14.378 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.186 2.362 -14.888 1.00 0.00 N ATOM 0 H ASN A 32 15.835 2.560 -12.491 1.00 0.00 H new ATOM 0 HA ASN A 32 17.306 0.035 -11.994 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.362 2.857 -12.448 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.348 1.467 -12.039 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.239 2.181 -15.890 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.857 3.266 -14.550 1.00 0.00 H new ATOM 490 N ALA A 33 16.035 1.766 -9.874 1.00 0.00 N ATOM 491 CA ALA A 33 15.887 2.102 -8.463 1.00 0.00 C ATOM 492 C ALA A 33 16.548 3.438 -8.144 1.00 0.00 C ATOM 493 O ALA A 33 17.294 3.556 -7.173 1.00 0.00 O ATOM 494 CB ALA A 33 16.473 1.000 -7.594 1.00 0.00 C ATOM 0 H ALA A 33 15.167 1.796 -10.409 1.00 0.00 H new ATOM 0 HA ALA A 33 14.823 2.193 -8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.356 1.264 -6.543 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.952 0.064 -7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.532 0.881 -7.822 1.00 0.00 H new ATOM 500 N MET A 34 16.270 4.443 -8.968 1.00 0.00 N ATOM 501 CA MET A 34 16.839 5.771 -8.773 1.00 0.00 C ATOM 502 C MET A 34 15.740 6.826 -8.682 1.00 0.00 C ATOM 503 O MET A 34 15.791 7.868 -9.336 1.00 0.00 O ATOM 504 CB MET A 34 17.796 6.112 -9.917 1.00 0.00 C ATOM 505 CG MET A 34 18.825 5.028 -10.192 1.00 0.00 C ATOM 506 SD MET A 34 20.352 5.681 -10.894 1.00 0.00 S ATOM 507 CE MET A 34 19.881 5.874 -12.611 1.00 0.00 C ATOM 0 H MET A 34 15.654 4.363 -9.777 1.00 0.00 H new ATOM 0 HA MET A 34 17.393 5.767 -7.834 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.217 6.290 -10.823 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.314 7.042 -9.682 1.00 0.00 H new ATOM 0 HG2 MET A 34 19.052 4.504 -9.264 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.400 4.294 -10.877 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.662 6.416 -13.144 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.747 4.892 -13.064 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.946 6.432 -12.671 1.00 0.00 H new ATOM 517 N PRO A 35 14.722 6.551 -7.853 1.00 0.00 N ATOM 518 CA PRO A 35 13.592 7.464 -7.658 1.00 0.00 C ATOM 519 C PRO A 35 13.992 8.729 -6.907 1.00 0.00 C ATOM 520 O PRO A 35 13.199 9.662 -6.779 1.00 0.00 O ATOM 521 CB PRO A 35 12.607 6.637 -6.828 1.00 0.00 C ATOM 522 CG PRO A 35 13.456 5.642 -6.114 1.00 0.00 C ATOM 523 CD PRO A 35 14.597 5.329 -7.042 1.00 0.00 C ATOM 0 HA PRO A 35 13.182 7.814 -8.605 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.057 7.264 -6.126 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.870 6.145 -7.463 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.821 6.046 -5.170 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.888 4.743 -5.877 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.514 5.115 -6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.385 4.457 -7.660 1.00 0.00 H new ATOM 531 N GLU A 36 15.225 8.753 -6.411 1.00 0.00 N ATOM 532 CA GLU A 36 15.728 9.904 -5.671 1.00 0.00 C ATOM 533 C GLU A 36 16.142 11.024 -6.621 1.00 0.00 C ATOM 534 O GLU A 36 16.181 12.194 -6.240 1.00 0.00 O ATOM 535 CB GLU A 36 16.916 9.497 -4.797 1.00 0.00 C ATOM 536 CG GLU A 36 18.187 9.229 -5.584 1.00 0.00 C ATOM 537 CD GLU A 36 18.257 7.811 -6.115 1.00 0.00 C ATOM 538 OE1 GLU A 36 17.277 7.059 -5.931 1.00 0.00 O ATOM 539 OE2 GLU A 36 19.291 7.453 -6.716 1.00 0.00 O ATOM 0 H GLU A 36 15.894 7.989 -6.508 1.00 0.00 H new ATOM 0 HA GLU A 36 14.925 10.271 -5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.108 10.286 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.652 8.602 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.248 9.928 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.051 9.417 -4.947 1.00 0.00 H new ATOM 546 N TYR A 37 16.450 10.657 -7.860 1.00 0.00 N ATOM 547 CA TYR A 37 16.864 11.629 -8.865 1.00 0.00 C ATOM 548 C TYR A 37 15.679 12.066 -9.721 1.00 0.00 C ATOM 549 O TYR A 37 15.775 13.022 -10.491 1.00 0.00 O ATOM 550 CB TYR A 37 17.960 11.039 -9.754 1.00 0.00 C ATOM 551 CG TYR A 37 19.282 10.854 -9.044 1.00 0.00 C ATOM 552 CD1 TYR A 37 20.034 11.948 -8.636 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.778 9.583 -8.779 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.242 11.784 -7.987 1.00 0.00 C ATOM 555 CE2 TYR A 37 20.985 9.409 -8.130 1.00 0.00 C ATOM 556 CZ TYR A 37 21.714 10.512 -7.736 1.00 0.00 C ATOM 557 OH TYR A 37 22.916 10.343 -7.089 1.00 0.00 O ATOM 0 H TYR A 37 16.421 9.693 -8.193 1.00 0.00 H new ATOM 0 HA TYR A 37 17.257 12.504 -8.347 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.625 10.075 -10.138 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.108 11.691 -10.615 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.667 12.945 -8.830 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.210 8.717 -9.086 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.814 12.646 -7.678 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.356 8.414 -7.932 1.00 0.00 H new ATOM 0 HH TYR A 37 22.930 10.891 -6.277 1.00 0.00 H new ATOM 567 N CYS A 38 14.564 11.358 -9.580 1.00 0.00 N ATOM 568 CA CYS A 38 13.359 11.672 -10.340 1.00 0.00 C ATOM 569 C CYS A 38 12.905 13.103 -10.074 1.00 0.00 C ATOM 570 O CYS A 38 12.521 13.824 -10.995 1.00 0.00 O ATOM 571 CB CYS A 38 12.238 10.694 -9.985 1.00 0.00 C ATOM 572 SG CYS A 38 11.072 10.386 -11.332 1.00 0.00 S ATOM 0 H CYS A 38 14.469 10.564 -8.947 1.00 0.00 H new ATOM 0 HA CYS A 38 13.593 11.576 -11.400 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.681 9.746 -9.679 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.690 11.082 -9.126 1.00 0.00 H new ATOM 0 HG CYS A 38 10.163 9.545 -10.936 1.00 0.00 H new ATOM 578 N GLU A 39 12.951 13.508 -8.809 1.00 0.00 N ATOM 579 CA GLU A 39 12.543 14.853 -8.422 1.00 0.00 C ATOM 580 C GLU A 39 13.304 15.904 -9.226 1.00 0.00 C ATOM 581 O GLU A 39 12.719 16.716 -9.944 1.00 0.00 O ATOM 582 CB GLU A 39 12.778 15.071 -6.926 1.00 0.00 C ATOM 583 CG GLU A 39 11.556 14.784 -6.070 1.00 0.00 C ATOM 584 CD GLU A 39 11.883 14.717 -4.591 1.00 0.00 C ATOM 585 OE1 GLU A 39 12.286 15.755 -4.025 1.00 0.00 O ATOM 586 OE2 GLU A 39 11.736 13.627 -3.999 1.00 0.00 O ATOM 0 H GLU A 39 13.267 12.924 -8.035 1.00 0.00 H new ATOM 0 HA GLU A 39 11.479 14.958 -8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.599 14.432 -6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.092 16.102 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.809 15.559 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.111 13.839 -6.383 1.00 0.00 H new ATOM 593 N PRO A 40 14.639 15.891 -9.102 1.00 0.00 N ATOM 594 CA PRO A 40 15.509 16.836 -9.809 1.00 0.00 C ATOM 595 C PRO A 40 15.547 16.576 -11.312 1.00 0.00 C ATOM 596 O PRO A 40 15.932 17.447 -12.093 1.00 0.00 O ATOM 597 CB PRO A 40 16.885 16.585 -9.188 1.00 0.00 C ATOM 598 CG PRO A 40 16.826 15.181 -8.692 1.00 0.00 C ATOM 599 CD PRO A 40 15.403 14.953 -8.263 1.00 0.00 C ATOM 0 HA PRO A 40 15.162 17.864 -9.707 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.680 16.712 -9.923 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.086 17.284 -8.376 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.115 14.479 -9.474 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.513 15.032 -7.859 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.094 13.921 -8.430 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.265 15.160 -7.202 1.00 0.00 H new ATOM 607 N LEU A 41 15.146 15.374 -11.709 1.00 0.00 N ATOM 608 CA LEU A 41 15.135 14.999 -13.119 1.00 0.00 C ATOM 609 C LEU A 41 13.708 14.918 -13.650 1.00 0.00 C ATOM 610 O LEU A 41 13.471 14.412 -14.747 1.00 0.00 O ATOM 611 CB LEU A 41 15.841 13.656 -13.316 1.00 0.00 C ATOM 612 CG LEU A 41 17.297 13.590 -12.854 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.813 12.160 -12.917 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.167 14.509 -13.699 1.00 0.00 C ATOM 0 H LEU A 41 14.824 14.642 -11.075 1.00 0.00 H new ATOM 0 HA LEU A 41 15.668 15.768 -13.678 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.277 12.890 -12.784 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.805 13.401 -14.375 1.00 0.00 H new ATOM 0 HG LEU A 41 17.345 13.927 -11.819 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.851 12.133 -12.585 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.208 11.526 -12.269 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.751 11.796 -13.942 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.200 14.449 -13.356 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.113 14.202 -14.743 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.812 15.535 -13.604 1.00 0.00 H new ATOM 626 N GLU A 42 12.760 15.422 -12.866 1.00 0.00 N ATOM 627 CA GLU A 42 11.356 15.408 -13.258 1.00 0.00 C ATOM 628 C GLU A 42 11.149 16.166 -14.567 1.00 0.00 C ATOM 629 O GLU A 42 10.376 15.743 -15.426 1.00 0.00 O ATOM 630 CB GLU A 42 10.489 16.023 -12.157 1.00 0.00 C ATOM 631 CG GLU A 42 10.626 17.532 -12.046 1.00 0.00 C ATOM 632 CD GLU A 42 9.959 18.088 -10.804 1.00 0.00 C ATOM 633 OE1 GLU A 42 8.762 17.801 -10.594 1.00 0.00 O ATOM 634 OE2 GLU A 42 10.634 18.811 -10.041 1.00 0.00 O ATOM 0 H GLU A 42 12.939 15.845 -11.955 1.00 0.00 H new ATOM 0 HA GLU A 42 11.058 14.370 -13.408 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.445 15.774 -12.347 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.755 15.571 -11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.683 17.797 -12.036 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.189 17.999 -12.929 1.00 0.00 H new ATOM 641 N HIS A 43 11.846 17.289 -14.709 1.00 0.00 N ATOM 642 CA HIS A 43 11.739 18.107 -15.912 1.00 0.00 C ATOM 643 C HIS A 43 13.017 18.024 -16.741 1.00 0.00 C ATOM 644 O HIS A 43 13.348 18.947 -17.486 1.00 0.00 O ATOM 645 CB HIS A 43 11.452 19.562 -15.541 1.00 0.00 C ATOM 646 CG HIS A 43 12.100 19.993 -14.262 1.00 0.00 C ATOM 647 ND1 HIS A 43 11.584 20.168 -13.023 1.00 0.00 N flip ATOM 648 CD2 HIS A 43 13.441 20.301 -14.164 1.00 0.00 C flip ATOM 649 CE1 HIS A 43 12.611 20.573 -12.207 1.00 0.00 C flip ATOM 650 NE2 HIS A 43 13.721 20.646 -12.919 1.00 0.00 N flip ATOM 0 H HIS A 43 12.490 17.653 -14.007 1.00 0.00 H new ATOM 0 HA HIS A 43 10.913 17.723 -16.510 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.795 20.209 -16.348 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.374 19.701 -15.457 1.00 0.00 H new ATOM 0 HD2 HIS A 43 14.151 20.266 -14.977 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.525 20.796 -11.154 1.00 0.00 H new ATOM 0 HE2 HIS A 43 14.638 20.922 -12.568 1.00 0.00 H new ATOM 658 N PHE A 44 13.732 16.912 -16.607 1.00 0.00 N ATOM 659 CA PHE A 44 14.976 16.709 -17.342 1.00 0.00 C ATOM 660 C PHE A 44 14.736 15.873 -18.596 1.00 0.00 C ATOM 661 O PHE A 44 13.892 14.976 -18.607 1.00 0.00 O ATOM 662 CB PHE A 44 16.014 16.025 -16.450 1.00 0.00 C ATOM 663 CG PHE A 44 16.886 16.989 -15.697 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.328 17.929 -14.846 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.263 16.955 -15.841 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.128 18.818 -14.153 1.00 0.00 C ATOM 667 CE2 PHE A 44 19.069 17.841 -15.151 1.00 0.00 C ATOM 668 CZ PHE A 44 18.500 18.773 -14.305 1.00 0.00 C ATOM 0 H PHE A 44 13.472 16.137 -15.996 1.00 0.00 H new ATOM 0 HA PHE A 44 15.354 17.686 -17.644 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.500 15.380 -15.738 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.644 15.383 -17.066 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.256 17.968 -14.723 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.713 16.227 -16.500 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.681 19.547 -13.493 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.141 17.805 -15.273 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.127 19.466 -13.763 1.00 0.00 H new ATOM 678 N THR A 45 15.485 16.174 -19.652 1.00 0.00 N ATOM 679 CA THR A 45 15.354 15.454 -20.912 1.00 0.00 C ATOM 680 C THR A 45 16.585 14.598 -21.187 1.00 0.00 C ATOM 681 O THR A 45 17.701 14.963 -20.822 1.00 0.00 O ATOM 682 CB THR A 45 15.140 16.421 -22.092 1.00 0.00 C ATOM 683 OG1 THR A 45 16.041 17.529 -21.986 1.00 0.00 O ATOM 684 CG2 THR A 45 13.706 16.927 -22.125 1.00 0.00 C ATOM 0 H THR A 45 16.189 16.912 -19.659 1.00 0.00 H new ATOM 0 HA THR A 45 14.481 14.809 -20.818 1.00 0.00 H new ATOM 0 HB THR A 45 15.338 15.880 -23.017 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.900 18.138 -22.740 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.580 17.608 -22.967 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.025 16.083 -22.236 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.484 17.453 -21.196 1.00 0.00 H new ATOM 692 N GLY A 46 16.373 13.456 -21.835 1.00 0.00 N ATOM 693 CA GLY A 46 17.476 12.566 -22.147 1.00 0.00 C ATOM 694 C GLY A 46 18.762 13.314 -22.434 1.00 0.00 C ATOM 695 O GLY A 46 19.846 12.862 -22.064 1.00 0.00 O ATOM 0 H GLY A 46 15.458 13.132 -22.149 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.635 11.883 -21.312 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.213 11.956 -23.012 1.00 0.00 H new ATOM 699 N GLN A 47 18.643 14.460 -23.096 1.00 0.00 N ATOM 700 CA GLN A 47 19.807 15.271 -23.434 1.00 0.00 C ATOM 701 C GLN A 47 20.420 15.892 -22.183 1.00 0.00 C ATOM 702 O GLN A 47 21.623 15.777 -21.947 1.00 0.00 O ATOM 703 CB GLN A 47 19.419 16.369 -24.426 1.00 0.00 C ATOM 704 CG GLN A 47 20.596 17.212 -24.891 1.00 0.00 C ATOM 705 CD GLN A 47 21.330 16.592 -26.064 1.00 0.00 C ATOM 706 OE1 GLN A 47 20.854 16.631 -27.199 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.496 16.016 -25.795 1.00 0.00 N ATOM 0 H GLN A 47 17.753 14.848 -23.409 1.00 0.00 H new ATOM 0 HA GLN A 47 20.550 14.621 -23.895 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.945 15.912 -25.294 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.677 17.020 -23.963 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.240 18.203 -25.173 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.291 17.347 -24.062 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.852 16.007 -24.839 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.035 15.582 -26.544 1.00 0.00 H new ATOM 716 N ASP A 48 19.586 16.551 -21.386 1.00 0.00 N ATOM 717 CA ASP A 48 20.045 17.189 -20.158 1.00 0.00 C ATOM 718 C ASP A 48 20.551 16.150 -19.162 1.00 0.00 C ATOM 719 O ASP A 48 21.530 16.381 -18.452 1.00 0.00 O ATOM 720 CB ASP A 48 18.916 18.008 -19.531 1.00 0.00 C ATOM 721 CG ASP A 48 18.615 19.272 -20.311 1.00 0.00 C ATOM 722 OD1 ASP A 48 18.700 19.235 -21.556 1.00 0.00 O ATOM 723 OD2 ASP A 48 18.296 20.300 -19.676 1.00 0.00 O ATOM 0 H ASP A 48 18.588 16.657 -21.569 1.00 0.00 H new ATOM 0 HA ASP A 48 20.870 17.856 -20.410 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.016 17.396 -19.475 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.187 18.271 -18.509 1.00 0.00 H new ATOM 728 N LEU A 49 19.877 15.006 -19.115 1.00 0.00 N ATOM 729 CA LEU A 49 20.258 13.931 -18.206 1.00 0.00 C ATOM 730 C LEU A 49 21.677 13.452 -18.493 1.00 0.00 C ATOM 731 O LEU A 49 22.495 13.322 -17.581 1.00 0.00 O ATOM 732 CB LEU A 49 19.279 12.762 -18.328 1.00 0.00 C ATOM 733 CG LEU A 49 19.681 11.472 -17.613 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.449 10.728 -17.120 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.507 10.586 -18.534 1.00 0.00 C ATOM 0 H LEU A 49 19.064 14.799 -19.696 1.00 0.00 H new ATOM 0 HA LEU A 49 20.225 14.321 -17.189 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.312 13.082 -17.940 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.140 12.539 -19.386 1.00 0.00 H new ATOM 0 HG LEU A 49 20.292 11.734 -16.749 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.755 9.813 -16.614 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.896 11.360 -16.425 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.811 10.478 -17.968 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.784 9.672 -18.008 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.921 10.333 -19.417 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.409 11.118 -18.838 1.00 0.00 H new ATOM 747 N ILE A 50 21.963 13.194 -19.764 1.00 0.00 N ATOM 748 CA ILE A 50 23.285 12.735 -20.171 1.00 0.00 C ATOM 749 C ILE A 50 24.332 13.826 -19.973 1.00 0.00 C ATOM 750 O ILE A 50 25.522 13.542 -19.842 1.00 0.00 O ATOM 751 CB ILE A 50 23.297 12.290 -21.646 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.111 13.497 -22.567 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.212 11.253 -21.895 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.838 13.367 -23.887 1.00 0.00 C ATOM 0 H ILE A 50 21.297 13.295 -20.530 1.00 0.00 H new ATOM 0 HA ILE A 50 23.530 11.881 -19.540 1.00 0.00 H new ATOM 0 HB ILE A 50 24.263 11.836 -21.866 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.047 13.637 -22.759 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.462 14.393 -22.054 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.233 10.948 -22.941 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.387 10.384 -21.261 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.238 11.683 -21.662 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.662 14.258 -24.489 1.00 0.00 H new ATOM 0 HD12 ILE A 50 24.907 13.258 -23.704 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.470 12.491 -24.420 1.00 0.00 H new ATOM 766 N ASN A 51 23.879 15.075 -19.950 1.00 0.00 N ATOM 767 CA ASN A 51 24.777 16.210 -19.767 1.00 0.00 C ATOM 768 C ASN A 51 25.101 16.415 -18.290 1.00 0.00 C ATOM 769 O ASN A 51 25.614 17.463 -17.895 1.00 0.00 O ATOM 770 CB ASN A 51 24.150 17.481 -20.344 1.00 0.00 C ATOM 771 CG ASN A 51 24.507 17.691 -21.803 1.00 0.00 C ATOM 772 OD1 ASN A 51 25.594 17.321 -22.246 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.591 18.288 -22.556 1.00 0.00 N ATOM 0 H ASN A 51 22.896 15.327 -20.056 1.00 0.00 H new ATOM 0 HA ASN A 51 25.705 15.997 -20.298 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.066 17.427 -20.242 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.482 18.342 -19.764 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.775 18.457 -23.545 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.703 18.578 -22.146 1.00 0.00 H new ATOM 780 N LEU A 52 24.798 15.408 -17.479 1.00 0.00 N ATOM 781 CA LEU A 52 25.058 15.476 -16.045 1.00 0.00 C ATOM 782 C LEU A 52 26.473 15.005 -15.725 1.00 0.00 C ATOM 783 O LEU A 52 26.953 14.019 -16.286 1.00 0.00 O ATOM 784 CB LEU A 52 24.040 14.626 -15.281 1.00 0.00 C ATOM 785 CG LEU A 52 22.602 15.146 -15.274 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.733 14.298 -14.359 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.565 16.606 -14.847 1.00 0.00 C ATOM 0 H LEU A 52 24.372 14.535 -17.789 1.00 0.00 H new ATOM 0 HA LEU A 52 24.962 16.516 -15.732 1.00 0.00 H new ATOM 0 HB2 LEU A 52 24.040 13.623 -15.708 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.376 14.533 -14.248 1.00 0.00 H new ATOM 0 HG LEU A 52 22.205 15.075 -16.287 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.713 14.683 -14.366 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.734 13.266 -14.710 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.128 14.337 -13.344 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.534 16.959 -14.848 1.00 0.00 H new ATOM 0 HD22 LEU A 52 22.981 16.702 -13.844 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.154 17.204 -15.543 1.00 0.00 H new ATOM 799 N THR A 53 27.136 15.714 -14.817 1.00 0.00 N ATOM 800 CA THR A 53 28.495 15.367 -14.420 1.00 0.00 C ATOM 801 C THR A 53 28.650 15.400 -12.904 1.00 0.00 C ATOM 802 O THR A 53 27.787 15.914 -12.194 1.00 0.00 O ATOM 803 CB THR A 53 29.525 16.323 -15.050 1.00 0.00 C ATOM 804 OG1 THR A 53 29.147 17.682 -14.804 1.00 0.00 O ATOM 805 CG2 THR A 53 29.637 16.086 -16.549 1.00 0.00 C ATOM 0 H THR A 53 26.754 16.532 -14.343 1.00 0.00 H new ATOM 0 HA THR A 53 28.681 14.355 -14.780 1.00 0.00 H new ATOM 0 HB THR A 53 30.495 16.128 -14.594 1.00 0.00 H new ATOM 0 HG1 THR A 53 29.799 18.283 -15.220 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.370 16.773 -16.972 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.953 15.059 -16.732 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.668 16.256 -17.018 1.00 0.00 H new ATOM 813 N GLN A 54 29.756 14.847 -12.415 1.00 0.00 N ATOM 814 CA GLN A 54 30.023 14.813 -10.982 1.00 0.00 C ATOM 815 C GLN A 54 29.929 16.210 -10.377 1.00 0.00 C ATOM 816 O GLN A 54 29.462 16.379 -9.251 1.00 0.00 O ATOM 817 CB GLN A 54 31.407 14.221 -10.714 1.00 0.00 C ATOM 818 CG GLN A 54 31.747 14.112 -9.236 1.00 0.00 C ATOM 819 CD GLN A 54 31.957 15.465 -8.585 1.00 0.00 C ATOM 820 OE1 GLN A 54 32.837 16.229 -8.984 1.00 0.00 O ATOM 821 NE2 GLN A 54 31.149 15.769 -7.576 1.00 0.00 N ATOM 0 H GLN A 54 30.481 14.417 -12.990 1.00 0.00 H new ATOM 0 HA GLN A 54 29.268 14.182 -10.512 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.463 13.230 -11.165 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.158 14.838 -11.207 1.00 0.00 H new ATOM 0 HG2 GLN A 54 30.944 13.585 -8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 54 32.649 13.512 -9.118 1.00 0.00 H new ATOM 0 HE21 GLN A 54 30.433 15.106 -7.278 1.00 0.00 H new ATOM 0 HE22 GLN A 54 31.244 16.665 -7.099 1.00 0.00 H new ATOM 830 N GLU A 55 30.375 17.208 -11.134 1.00 0.00 N ATOM 831 CA GLU A 55 30.341 18.591 -10.671 1.00 0.00 C ATOM 832 C GLU A 55 28.903 19.063 -10.475 1.00 0.00 C ATOM 833 O GLU A 55 28.609 19.826 -9.554 1.00 0.00 O ATOM 834 CB GLU A 55 31.058 19.503 -11.668 1.00 0.00 C ATOM 835 CG GLU A 55 30.157 20.018 -12.779 1.00 0.00 C ATOM 836 CD GLU A 55 30.933 20.687 -13.897 1.00 0.00 C ATOM 837 OE1 GLU A 55 31.959 21.334 -13.602 1.00 0.00 O ATOM 838 OE2 GLU A 55 30.513 20.562 -15.066 1.00 0.00 O ATOM 0 H GLU A 55 30.764 17.085 -12.069 1.00 0.00 H new ATOM 0 HA GLU A 55 30.855 18.640 -9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 55 31.481 20.352 -11.132 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.892 18.959 -12.111 1.00 0.00 H new ATOM 0 HG2 GLU A 55 29.580 19.188 -13.188 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.442 20.728 -12.362 1.00 0.00 H new ATOM 845 N ASP A 56 28.012 18.604 -11.347 1.00 0.00 N ATOM 846 CA ASP A 56 26.605 18.979 -11.270 1.00 0.00 C ATOM 847 C ASP A 56 26.002 18.556 -9.934 1.00 0.00 C ATOM 848 O ASP A 56 24.959 19.065 -9.522 1.00 0.00 O ATOM 849 CB ASP A 56 25.822 18.343 -12.420 1.00 0.00 C ATOM 850 CG ASP A 56 26.072 19.039 -13.744 1.00 0.00 C ATOM 851 OD1 ASP A 56 27.122 19.703 -13.876 1.00 0.00 O ATOM 852 OD2 ASP A 56 25.218 18.921 -14.648 1.00 0.00 O ATOM 0 H ASP A 56 28.239 17.972 -12.115 1.00 0.00 H new ATOM 0 HA ASP A 56 26.539 20.064 -11.351 1.00 0.00 H new ATOM 0 HB2 ASP A 56 26.099 17.292 -12.507 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.757 18.374 -12.192 1.00 0.00 H new ATOM 857 N PHE A 57 26.664 17.620 -9.262 1.00 0.00 N ATOM 858 CA PHE A 57 26.194 17.128 -7.972 1.00 0.00 C ATOM 859 C PHE A 57 26.563 18.096 -6.852 1.00 0.00 C ATOM 860 O PHE A 57 25.838 18.230 -5.867 1.00 0.00 O ATOM 861 CB PHE A 57 26.785 15.746 -7.684 1.00 0.00 C ATOM 862 CG PHE A 57 26.170 14.648 -8.504 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.603 14.407 -9.798 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.160 13.857 -7.981 1.00 0.00 C ATOM 865 CE1 PHE A 57 26.039 13.397 -10.555 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.593 12.845 -8.733 1.00 0.00 C ATOM 867 CZ PHE A 57 25.034 12.615 -10.021 1.00 0.00 C ATOM 0 H PHE A 57 27.528 17.187 -9.589 1.00 0.00 H new ATOM 0 HA PHE A 57 25.108 17.049 -8.015 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.858 15.772 -7.873 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.653 15.516 -6.627 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.390 15.015 -10.220 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.812 14.033 -6.974 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.384 13.220 -11.563 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.806 12.235 -8.314 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.593 11.824 -10.610 1.00 0.00 H new ATOM 877 N LYS A 58 27.699 18.768 -7.010 1.00 0.00 N ATOM 878 CA LYS A 58 28.167 19.725 -6.015 1.00 0.00 C ATOM 879 C LYS A 58 27.143 20.836 -5.804 1.00 0.00 C ATOM 880 O LYS A 58 27.100 21.462 -4.745 1.00 0.00 O ATOM 881 CB LYS A 58 29.506 20.326 -6.445 1.00 0.00 C ATOM 882 CG LYS A 58 30.563 19.285 -6.773 1.00 0.00 C ATOM 883 CD LYS A 58 31.928 19.921 -6.978 1.00 0.00 C ATOM 884 CE LYS A 58 33.027 18.872 -7.050 1.00 0.00 C ATOM 885 NZ LYS A 58 33.159 18.119 -5.773 1.00 0.00 N ATOM 0 H LYS A 58 28.313 18.667 -7.819 1.00 0.00 H new ATOM 0 HA LYS A 58 28.300 19.194 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.347 20.958 -7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 58 29.878 20.971 -5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.618 18.555 -5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 58 30.274 18.743 -7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 58 31.923 20.508 -7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 58 32.135 20.611 -6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 58 32.812 18.176 -7.861 1.00 0.00 H new ATOM 0 HE3 LYS A 58 33.975 19.355 -7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 34.166 18.006 -5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 32.683 18.642 -5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 32.720 17.182 -5.876 1.00 0.00 H new ATOM 899 N LYS A 59 26.319 21.075 -6.819 1.00 0.00 N ATOM 900 CA LYS A 59 25.293 22.108 -6.745 1.00 0.00 C ATOM 901 C LYS A 59 23.919 21.535 -7.074 1.00 0.00 C ATOM 902 O LYS A 59 23.792 20.451 -7.645 1.00 0.00 O ATOM 903 CB LYS A 59 25.623 23.253 -7.705 1.00 0.00 C ATOM 904 CG LYS A 59 26.479 22.829 -8.886 1.00 0.00 C ATOM 905 CD LYS A 59 26.501 23.893 -9.970 1.00 0.00 C ATOM 906 CE LYS A 59 25.381 23.684 -10.979 1.00 0.00 C ATOM 907 NZ LYS A 59 25.199 24.872 -11.858 1.00 0.00 N ATOM 0 H LYS A 59 26.342 20.567 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 59 25.272 22.492 -5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.693 23.684 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.141 24.039 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.496 22.633 -8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.095 21.896 -9.299 1.00 0.00 H new ATOM 0 HD2 LYS A 59 26.404 24.879 -9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.463 23.872 -10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 59 25.602 22.810 -11.591 1.00 0.00 H new ATOM 0 HE3 LYS A 59 24.450 23.477 -10.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 24.427 24.691 -12.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 24.963 25.701 -11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.079 25.055 -12.381 1.00 0.00 H new ATOM 921 N PRO A 60 22.863 22.277 -6.707 1.00 0.00 N ATOM 922 CA PRO A 60 21.479 21.863 -6.955 1.00 0.00 C ATOM 923 C PRO A 60 21.118 21.905 -8.436 1.00 0.00 C ATOM 924 O PRO A 60 21.825 22.493 -9.255 1.00 0.00 O ATOM 925 CB PRO A 60 20.656 22.891 -6.175 1.00 0.00 C ATOM 926 CG PRO A 60 21.530 24.095 -6.096 1.00 0.00 C ATOM 927 CD PRO A 60 22.940 23.579 -6.022 1.00 0.00 C ATOM 0 HA PRO A 60 21.301 20.832 -6.648 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.718 23.115 -6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.400 22.522 -5.182 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.394 24.734 -6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.288 24.696 -5.220 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.641 24.252 -6.516 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.275 23.471 -4.990 1.00 0.00 H new ATOM 935 N PRO A 61 19.992 21.268 -8.790 1.00 0.00 N ATOM 936 CA PRO A 61 19.144 20.564 -7.823 1.00 0.00 C ATOM 937 C PRO A 61 19.806 19.300 -7.284 1.00 0.00 C ATOM 938 O PRO A 61 19.622 18.938 -6.121 1.00 0.00 O ATOM 939 CB PRO A 61 17.898 20.208 -8.638 1.00 0.00 C ATOM 940 CG PRO A 61 18.370 20.156 -10.050 1.00 0.00 C ATOM 941 CD PRO A 61 19.460 21.186 -10.160 1.00 0.00 C ATOM 0 HA PRO A 61 18.936 21.173 -6.944 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.480 19.251 -8.325 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.115 20.955 -8.510 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.744 19.163 -10.300 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.556 20.373 -10.742 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.228 20.884 -10.872 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.072 22.147 -10.499 1.00 0.00 H new ATOM 949 N LEU A 62 20.577 18.632 -8.136 1.00 0.00 N ATOM 950 CA LEU A 62 21.268 17.408 -7.744 1.00 0.00 C ATOM 951 C LEU A 62 22.317 17.694 -6.675 1.00 0.00 C ATOM 952 O LEU A 62 23.413 18.168 -6.976 1.00 0.00 O ATOM 953 CB LEU A 62 21.928 16.760 -8.962 1.00 0.00 C ATOM 954 CG LEU A 62 21.035 16.571 -10.189 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.860 16.635 -11.465 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.283 15.251 -10.103 1.00 0.00 C ATOM 0 H LEU A 62 20.739 18.917 -9.102 1.00 0.00 H new ATOM 0 HA LEU A 62 20.531 16.720 -7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.785 17.368 -9.252 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.314 15.785 -8.665 1.00 0.00 H new ATOM 0 HG LEU A 62 20.306 17.381 -10.212 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.207 16.498 -12.327 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.352 17.605 -11.532 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.613 15.847 -11.451 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.653 15.133 -10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.996 14.428 -10.055 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.661 15.244 -9.208 1.00 0.00 H new ATOM 968 N TYR A 63 21.975 17.402 -5.425 1.00 0.00 N ATOM 969 CA TYR A 63 22.888 17.627 -4.310 1.00 0.00 C ATOM 970 C TYR A 63 22.610 16.649 -3.173 1.00 0.00 C ATOM 971 O TYR A 63 21.497 16.588 -2.650 1.00 0.00 O ATOM 972 CB TYR A 63 22.762 19.065 -3.804 1.00 0.00 C ATOM 973 CG TYR A 63 23.749 19.411 -2.712 1.00 0.00 C ATOM 974 CD1 TYR A 63 25.111 19.489 -2.979 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.322 19.659 -1.414 1.00 0.00 C ATOM 976 CE1 TYR A 63 26.017 19.804 -1.985 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.220 19.976 -0.414 1.00 0.00 C ATOM 978 CZ TYR A 63 25.567 20.047 -0.704 1.00 0.00 C ATOM 979 OH TYR A 63 26.465 20.361 0.289 1.00 0.00 O ATOM 0 H TYR A 63 21.072 17.009 -5.158 1.00 0.00 H new ATOM 0 HA TYR A 63 23.905 17.462 -4.666 1.00 0.00 H new ATOM 0 HB2 TYR A 63 22.904 19.749 -4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.750 19.223 -3.431 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.467 19.300 -3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.269 19.603 -1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 63 27.072 19.860 -2.210 1.00 0.00 H new ATOM 0 HE2 TYR A 63 23.870 20.167 0.590 1.00 0.00 H new ATOM 0 HH TYR A 63 25.985 20.503 1.131 1.00 0.00 H new ATOM 989 N ARG A 64 23.631 15.887 -2.795 1.00 0.00 N ATOM 990 CA ARG A 64 23.498 14.910 -1.721 1.00 0.00 C ATOM 991 C ARG A 64 22.354 13.941 -2.005 1.00 0.00 C ATOM 992 O ARG A 64 21.778 13.358 -1.087 1.00 0.00 O ATOM 993 CB ARG A 64 23.261 15.617 -0.385 1.00 0.00 C ATOM 994 CG ARG A 64 24.046 16.910 -0.233 1.00 0.00 C ATOM 995 CD ARG A 64 25.474 16.645 0.218 1.00 0.00 C ATOM 996 NE ARG A 64 26.257 15.969 -0.812 1.00 0.00 N ATOM 997 CZ ARG A 64 27.559 15.728 -0.706 1.00 0.00 C ATOM 998 NH1 ARG A 64 28.220 16.107 0.379 1.00 0.00 N ATOM 999 NH2 ARG A 64 28.202 15.107 -1.687 1.00 0.00 N ATOM 0 H ARG A 64 24.559 15.927 -3.216 1.00 0.00 H new ATOM 0 HA ARG A 64 24.427 14.342 -1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.198 15.833 -0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.530 14.941 0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.057 17.444 -1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.549 17.556 0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.954 17.589 0.476 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.461 16.036 1.122 1.00 0.00 H new ATOM 0 HE ARG A 64 25.778 15.665 -1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 64 27.729 16.585 1.135 1.00 0.00 H new ATOM 0 HH12 ARG A 64 29.220 15.921 0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 64 27.696 14.814 -2.523 1.00 0.00 H new ATOM 0 HH22 ARG A 64 29.202 14.922 -1.605 1.00 0.00 H new ATOM 1013 N VAL A 65 22.030 13.776 -3.284 1.00 0.00 N ATOM 1014 CA VAL A 65 20.956 12.877 -3.690 1.00 0.00 C ATOM 1015 C VAL A 65 21.273 11.435 -3.311 1.00 0.00 C ATOM 1016 O VAL A 65 20.402 10.698 -2.848 1.00 0.00 O ATOM 1017 CB VAL A 65 20.704 12.953 -5.207 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.427 12.213 -5.575 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.639 14.403 -5.664 1.00 0.00 C ATOM 0 H VAL A 65 22.496 14.253 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 65 20.058 13.199 -3.163 1.00 0.00 H new ATOM 0 HB VAL A 65 21.536 12.470 -5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.266 12.278 -6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.516 11.166 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.582 12.664 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.460 14.438 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.827 14.912 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.583 14.899 -5.437 1.00 0.00 H new ATOM 1029 N SER A 66 22.526 11.038 -3.509 1.00 0.00 N ATOM 1030 CA SER A 66 22.959 9.683 -3.191 1.00 0.00 C ATOM 1031 C SER A 66 24.104 9.700 -2.183 1.00 0.00 C ATOM 1032 O SER A 66 24.809 10.700 -2.045 1.00 0.00 O ATOM 1033 CB SER A 66 23.394 8.952 -4.463 1.00 0.00 C ATOM 1034 OG SER A 66 23.887 7.658 -4.163 1.00 0.00 O ATOM 0 H SER A 66 23.260 11.636 -3.889 1.00 0.00 H new ATOM 0 HA SER A 66 22.116 9.154 -2.747 1.00 0.00 H new ATOM 0 HB2 SER A 66 22.550 8.873 -5.148 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.165 9.530 -4.973 1.00 0.00 H new ATOM 0 HG SER A 66 24.157 7.210 -4.992 1.00 0.00 H new ATOM 1040 N SER A 67 24.284 8.586 -1.481 1.00 0.00 N ATOM 1041 CA SER A 67 25.341 8.473 -0.484 1.00 0.00 C ATOM 1042 C SER A 67 26.687 8.198 -1.148 1.00 0.00 C ATOM 1043 O SER A 67 27.741 8.379 -0.538 1.00 0.00 O ATOM 1044 CB SER A 67 25.015 7.358 0.512 1.00 0.00 C ATOM 1045 OG SER A 67 24.199 7.840 1.566 1.00 0.00 O ATOM 0 H SER A 67 23.711 7.749 -1.585 1.00 0.00 H new ATOM 0 HA SER A 67 25.405 9.421 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 67 24.506 6.543 -0.003 1.00 0.00 H new ATOM 0 HB3 SER A 67 25.939 6.949 0.921 1.00 0.00 H new ATOM 0 HG SER A 67 24.003 7.109 2.188 1.00 0.00 H new ATOM 1051 N ASP A 68 26.643 7.760 -2.402 1.00 0.00 N ATOM 1052 CA ASP A 68 27.858 7.462 -3.151 1.00 0.00 C ATOM 1053 C ASP A 68 28.372 8.705 -3.870 1.00 0.00 C ATOM 1054 O ASP A 68 29.035 8.608 -4.902 1.00 0.00 O ATOM 1055 CB ASP A 68 27.597 6.344 -4.162 1.00 0.00 C ATOM 1056 CG ASP A 68 28.857 5.577 -4.514 1.00 0.00 C ATOM 1057 OD1 ASP A 68 29.936 6.202 -4.565 1.00 0.00 O ATOM 1058 OD2 ASP A 68 28.762 4.353 -4.741 1.00 0.00 O ATOM 0 H ASP A 68 25.779 7.604 -2.921 1.00 0.00 H new ATOM 0 HA ASP A 68 28.620 7.132 -2.444 1.00 0.00 H new ATOM 0 HB2 ASP A 68 26.857 5.655 -3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 68 27.169 6.771 -5.069 1.00 0.00 H new ATOM 1063 N ASN A 69 28.062 9.873 -3.317 1.00 0.00 N ATOM 1064 CA ASN A 69 28.490 11.136 -3.907 1.00 0.00 C ATOM 1065 C ASN A 69 27.974 11.271 -5.336 1.00 0.00 C ATOM 1066 O ASN A 69 28.657 11.812 -6.206 1.00 0.00 O ATOM 1067 CB ASN A 69 30.017 11.238 -3.892 1.00 0.00 C ATOM 1068 CG ASN A 69 30.499 12.671 -3.785 1.00 0.00 C ATOM 1069 OD1 ASN A 69 29.956 13.571 -4.425 1.00 0.00 O ATOM 1070 ND2 ASN A 69 31.526 12.890 -2.972 1.00 0.00 N ATOM 0 H ASN A 69 27.516 9.971 -2.461 1.00 0.00 H new ATOM 0 HA ASN A 69 28.072 11.947 -3.311 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.409 10.662 -3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.417 10.790 -4.801 1.00 0.00 H new ATOM 0 HD21 ASN A 69 31.895 13.834 -2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 69 31.946 12.114 -2.460 1.00 0.00 H new ATOM 1077 N GLY A 70 26.763 10.776 -5.572 1.00 0.00 N ATOM 1078 CA GLY A 70 26.175 10.852 -6.897 1.00 0.00 C ATOM 1079 C GLY A 70 26.893 9.972 -7.901 1.00 0.00 C ATOM 1080 O GLY A 70 27.007 10.325 -9.074 1.00 0.00 O ATOM 0 H GLY A 70 26.178 10.324 -4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.127 10.557 -6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.198 11.886 -7.243 1.00 0.00 H new ATOM 1084 N GLN A 71 27.380 8.825 -7.439 1.00 0.00 N ATOM 1085 CA GLN A 71 28.094 7.895 -8.305 1.00 0.00 C ATOM 1086 C GLN A 71 27.119 6.998 -9.061 1.00 0.00 C ATOM 1087 O GLN A 71 27.131 6.950 -10.291 1.00 0.00 O ATOM 1088 CB GLN A 71 29.060 7.039 -7.484 1.00 0.00 C ATOM 1089 CG GLN A 71 29.585 5.825 -8.233 1.00 0.00 C ATOM 1090 CD GLN A 71 30.604 6.190 -9.295 1.00 0.00 C ATOM 1091 OE1 GLN A 71 31.799 5.941 -9.137 1.00 0.00 O ATOM 1092 NE2 GLN A 71 30.135 6.784 -10.386 1.00 0.00 N ATOM 0 H GLN A 71 27.293 8.518 -6.470 1.00 0.00 H new ATOM 0 HA GLN A 71 28.662 8.477 -9.031 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.903 7.655 -7.172 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.556 6.706 -6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.038 5.133 -7.523 1.00 0.00 H new ATOM 0 HG3 GLN A 71 28.750 5.302 -8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 71 29.136 6.971 -10.475 1.00 0.00 H new ATOM 0 HE22 GLN A 71 30.773 7.053 -11.135 1.00 0.00 H new ATOM 1101 N ARG A 72 26.277 6.289 -8.317 1.00 0.00 N ATOM 1102 CA ARG A 72 25.297 5.392 -8.918 1.00 0.00 C ATOM 1103 C ARG A 72 24.725 5.991 -10.200 1.00 0.00 C ATOM 1104 O ARG A 72 24.737 5.354 -11.254 1.00 0.00 O ATOM 1105 CB ARG A 72 24.166 5.101 -7.929 1.00 0.00 C ATOM 1106 CG ARG A 72 23.098 4.171 -8.481 1.00 0.00 C ATOM 1107 CD ARG A 72 22.348 3.460 -7.366 1.00 0.00 C ATOM 1108 NE ARG A 72 23.212 2.549 -6.620 1.00 0.00 N ATOM 1109 CZ ARG A 72 23.710 1.427 -7.128 1.00 0.00 C ATOM 1110 NH1 ARG A 72 23.431 1.080 -8.377 1.00 0.00 N ATOM 1111 NH2 ARG A 72 24.488 0.650 -6.387 1.00 0.00 N ATOM 0 H ARG A 72 26.253 6.318 -7.298 1.00 0.00 H new ATOM 0 HA ARG A 72 25.801 4.459 -9.167 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.589 4.660 -7.026 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.700 6.042 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.395 4.742 -9.087 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.560 3.434 -9.138 1.00 0.00 H new ATOM 0 HD2 ARG A 72 21.926 4.199 -6.685 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.513 2.902 -7.789 1.00 0.00 H new ATOM 0 HE ARG A 72 23.446 2.787 -5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.833 1.675 -8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.815 0.218 -8.765 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.705 0.913 -5.426 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.870 -0.211 -6.778 1.00 0.00 H new ATOM 1125 N LEU A 73 24.225 7.217 -10.101 1.00 0.00 N ATOM 1126 CA LEU A 73 23.646 7.902 -11.252 1.00 0.00 C ATOM 1127 C LEU A 73 24.696 8.129 -12.335 1.00 0.00 C ATOM 1128 O LEU A 73 24.560 7.642 -13.458 1.00 0.00 O ATOM 1129 CB LEU A 73 23.042 9.241 -10.823 1.00 0.00 C ATOM 1130 CG LEU A 73 22.354 10.050 -11.923 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.194 9.266 -12.516 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.874 11.388 -11.380 1.00 0.00 C ATOM 0 H LEU A 73 24.208 7.758 -9.236 1.00 0.00 H new ATOM 0 HA LEU A 73 22.858 7.270 -11.662 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.317 9.053 -10.031 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.834 9.853 -10.391 1.00 0.00 H new ATOM 0 HG LEU A 73 23.079 10.241 -12.714 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.717 9.858 -13.297 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.565 8.334 -12.942 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.468 9.044 -11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.387 11.950 -12.177 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.165 11.219 -10.570 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.726 11.955 -11.004 1.00 0.00 H new ATOM 1144 N LEU A 74 25.743 8.870 -11.990 1.00 0.00 N ATOM 1145 CA LEU A 74 26.818 9.160 -12.933 1.00 0.00 C ATOM 1146 C LEU A 74 27.199 7.915 -13.726 1.00 0.00 C ATOM 1147 O LEU A 74 27.444 7.984 -14.931 1.00 0.00 O ATOM 1148 CB LEU A 74 28.043 9.699 -12.190 1.00 0.00 C ATOM 1149 CG LEU A 74 27.997 11.178 -11.805 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.182 11.537 -10.922 1.00 0.00 C ATOM 1151 CD2 LEU A 74 27.973 12.053 -13.050 1.00 0.00 C ATOM 0 H LEU A 74 25.871 9.281 -11.065 1.00 0.00 H new ATOM 0 HA LEU A 74 26.460 9.917 -13.631 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.180 9.112 -11.282 1.00 0.00 H new ATOM 0 HB3 LEU A 74 28.922 9.533 -12.812 1.00 0.00 H new ATOM 0 HG LEU A 74 27.082 11.358 -11.241 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.132 12.593 -10.658 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.155 10.935 -10.014 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.109 11.341 -11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 74 27.940 13.102 -12.757 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.870 11.869 -13.641 1.00 0.00 H new ATOM 0 HD23 LEU A 74 27.091 11.815 -13.645 1.00 0.00 H new ATOM 1163 N ASP A 75 27.243 6.776 -13.044 1.00 0.00 N ATOM 1164 CA ASP A 75 27.590 5.513 -13.685 1.00 0.00 C ATOM 1165 C ASP A 75 26.478 5.059 -14.627 1.00 0.00 C ATOM 1166 O ASP A 75 26.743 4.570 -15.725 1.00 0.00 O ATOM 1167 CB ASP A 75 27.854 4.436 -12.632 1.00 0.00 C ATOM 1168 CG ASP A 75 28.830 3.381 -13.114 1.00 0.00 C ATOM 1169 OD1 ASP A 75 29.945 3.753 -13.535 1.00 0.00 O ATOM 1170 OD2 ASP A 75 28.479 2.184 -13.068 1.00 0.00 O ATOM 0 H ASP A 75 27.043 6.701 -12.047 1.00 0.00 H new ATOM 0 HA ASP A 75 28.497 5.668 -14.269 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.246 4.904 -11.729 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.912 3.959 -12.361 1.00 0.00 H new ATOM 1175 N MET A 76 25.235 5.224 -14.188 1.00 0.00 N ATOM 1176 CA MET A 76 24.083 4.831 -14.993 1.00 0.00 C ATOM 1177 C MET A 76 23.976 5.694 -16.246 1.00 0.00 C ATOM 1178 O MET A 76 23.480 5.244 -17.280 1.00 0.00 O ATOM 1179 CB MET A 76 22.798 4.944 -14.171 1.00 0.00 C ATOM 1180 CG MET A 76 22.594 3.792 -13.200 1.00 0.00 C ATOM 1181 SD MET A 76 22.611 2.185 -14.016 1.00 0.00 S ATOM 1182 CE MET A 76 21.339 2.420 -15.255 1.00 0.00 C ATOM 0 H MET A 76 24.999 5.626 -13.281 1.00 0.00 H new ATOM 0 HA MET A 76 24.221 3.794 -15.298 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.815 5.880 -13.613 1.00 0.00 H new ATOM 0 HB3 MET A 76 21.946 4.992 -14.849 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.376 3.818 -12.442 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.644 3.922 -12.682 1.00 0.00 H new ATOM 0 HE1 MET A 76 20.857 1.466 -15.467 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.596 3.127 -14.885 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.788 2.811 -16.168 1.00 0.00 H new ATOM 1192 N ILE A 77 24.444 6.933 -16.148 1.00 0.00 N ATOM 1193 CA ILE A 77 24.401 7.857 -17.275 1.00 0.00 C ATOM 1194 C ILE A 77 25.605 7.663 -18.190 1.00 0.00 C ATOM 1195 O ILE A 77 25.480 7.711 -19.414 1.00 0.00 O ATOM 1196 CB ILE A 77 24.362 9.322 -16.800 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.196 9.536 -15.832 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.247 10.261 -17.992 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.119 10.943 -15.282 1.00 0.00 C ATOM 0 H ILE A 77 24.857 7.321 -15.300 1.00 0.00 H new ATOM 0 HA ILE A 77 23.488 7.638 -17.828 1.00 0.00 H new ATOM 0 HB ILE A 77 25.291 9.544 -16.275 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.262 9.303 -16.343 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.289 8.835 -15.003 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.220 11.293 -17.641 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.106 10.123 -18.648 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.332 10.041 -18.542 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.270 11.022 -14.604 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.037 11.173 -14.742 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.994 11.648 -16.104 1.00 0.00 H new ATOM 1211 N GLU A 78 26.770 7.443 -17.589 1.00 0.00 N ATOM 1212 CA GLU A 78 27.996 7.240 -18.352 1.00 0.00 C ATOM 1213 C GLU A 78 27.748 6.324 -19.547 1.00 0.00 C ATOM 1214 O GLU A 78 28.228 6.581 -20.651 1.00 0.00 O ATOM 1215 CB GLU A 78 29.087 6.645 -17.458 1.00 0.00 C ATOM 1216 CG GLU A 78 30.494 7.052 -17.861 1.00 0.00 C ATOM 1217 CD GLU A 78 31.060 6.178 -18.964 1.00 0.00 C ATOM 1218 OE1 GLU A 78 31.289 4.977 -18.711 1.00 0.00 O ATOM 1219 OE2 GLU A 78 31.274 6.696 -20.080 1.00 0.00 O ATOM 0 H GLU A 78 26.891 7.401 -16.577 1.00 0.00 H new ATOM 0 HA GLU A 78 28.328 8.210 -18.722 1.00 0.00 H new ATOM 0 HB2 GLU A 78 28.909 6.954 -16.428 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.012 5.558 -17.482 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.487 8.090 -18.193 1.00 0.00 H new ATOM 0 HG3 GLU A 78 31.147 7.000 -16.990 1.00 0.00 H new ATOM 1226 N THR A 79 26.995 5.253 -19.318 1.00 0.00 N ATOM 1227 CA THR A 79 26.683 4.298 -20.374 1.00 0.00 C ATOM 1228 C THR A 79 25.744 4.908 -21.408 1.00 0.00 C ATOM 1229 O THR A 79 25.766 4.532 -22.580 1.00 0.00 O ATOM 1230 CB THR A 79 26.039 3.020 -19.803 1.00 0.00 C ATOM 1231 OG1 THR A 79 26.278 1.916 -20.683 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.541 3.208 -19.612 1.00 0.00 C ATOM 0 H THR A 79 26.590 5.025 -18.410 1.00 0.00 H new ATOM 0 HA THR A 79 27.627 4.038 -20.854 1.00 0.00 H new ATOM 0 HB THR A 79 26.490 2.815 -18.832 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.867 1.107 -20.312 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.108 2.293 -19.208 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.363 4.030 -18.919 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.078 3.436 -20.572 1.00 0.00 H new ATOM 1240 N LEU A 80 24.920 5.853 -20.967 1.00 0.00 N ATOM 1241 CA LEU A 80 23.973 6.517 -21.856 1.00 0.00 C ATOM 1242 C LEU A 80 24.701 7.358 -22.898 1.00 0.00 C ATOM 1243 O LEU A 80 24.156 7.661 -23.960 1.00 0.00 O ATOM 1244 CB LEU A 80 23.018 7.399 -21.048 1.00 0.00 C ATOM 1245 CG LEU A 80 22.111 6.672 -20.055 1.00 0.00 C ATOM 1246 CD1 LEU A 80 20.991 7.587 -19.586 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.543 5.406 -20.679 1.00 0.00 C ATOM 0 H LEU A 80 24.889 6.176 -20.000 1.00 0.00 H new ATOM 0 HA LEU A 80 23.399 5.749 -22.374 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.609 8.133 -20.500 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.389 7.953 -21.745 1.00 0.00 H new ATOM 0 HG LEU A 80 22.708 6.389 -19.188 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.356 7.052 -18.880 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.417 8.464 -19.099 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.396 7.902 -20.443 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.900 4.902 -19.958 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.962 5.666 -21.564 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.360 4.742 -20.963 1.00 0.00 H new ATOM 1259 N LYS A 81 25.939 7.732 -22.590 1.00 0.00 N ATOM 1260 CA LYS A 81 26.745 8.537 -23.500 1.00 0.00 C ATOM 1261 C LYS A 81 27.629 7.651 -24.372 1.00 0.00 C ATOM 1262 O LYS A 81 27.551 7.697 -25.599 1.00 0.00 O ATOM 1263 CB LYS A 81 27.612 9.521 -22.712 1.00 0.00 C ATOM 1264 CG LYS A 81 26.838 10.709 -22.164 1.00 0.00 C ATOM 1265 CD LYS A 81 26.364 10.457 -20.742 1.00 0.00 C ATOM 1266 CE LYS A 81 27.377 10.952 -19.721 1.00 0.00 C ATOM 1267 NZ LYS A 81 28.744 10.428 -19.996 1.00 0.00 N ATOM 0 H LYS A 81 26.406 7.490 -21.716 1.00 0.00 H new ATOM 0 HA LYS A 81 26.069 9.095 -24.147 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.085 8.993 -21.884 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.412 9.885 -23.357 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.469 11.597 -22.186 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.980 10.912 -22.804 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.409 10.958 -20.581 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.192 9.390 -20.598 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.398 12.042 -19.729 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.065 10.646 -18.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.363 10.630 -19.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.698 9.400 -20.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.127 10.887 -20.847 1.00 0.00 H new ATOM 1281 N MET A 82 28.467 6.843 -23.730 1.00 0.00 N ATOM 1282 CA MET A 82 29.364 5.945 -24.448 1.00 0.00 C ATOM 1283 C MET A 82 28.711 5.436 -25.729 1.00 0.00 C ATOM 1284 O MET A 82 29.387 5.212 -26.733 1.00 0.00 O ATOM 1285 CB MET A 82 29.758 4.765 -23.558 1.00 0.00 C ATOM 1286 CG MET A 82 28.707 3.669 -23.501 1.00 0.00 C ATOM 1287 SD MET A 82 29.335 2.140 -22.780 1.00 0.00 S ATOM 1288 CE MET A 82 29.712 2.681 -21.115 1.00 0.00 C ATOM 0 H MET A 82 28.543 6.792 -22.714 1.00 0.00 H new ATOM 0 HA MET A 82 30.261 6.504 -24.716 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.693 4.341 -23.924 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.946 5.129 -22.548 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.855 4.018 -22.917 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.342 3.468 -24.508 1.00 0.00 H new ATOM 0 HE1 MET A 82 30.697 2.314 -20.827 1.00 0.00 H new ATOM 0 HE2 MET A 82 29.705 3.770 -21.076 1.00 0.00 H new ATOM 0 HE3 MET A 82 28.963 2.289 -20.427 1.00 0.00 H new ATOM 1298 N GLU A 83 27.395 5.255 -25.686 1.00 0.00 N ATOM 1299 CA GLU A 83 26.653 4.771 -26.844 1.00 0.00 C ATOM 1300 C GLU A 83 26.563 5.847 -27.922 1.00 0.00 C ATOM 1301 O GLU A 83 26.953 5.628 -29.069 1.00 0.00 O ATOM 1302 CB GLU A 83 25.248 4.330 -26.430 1.00 0.00 C ATOM 1303 CG GLU A 83 25.239 3.217 -25.395 1.00 0.00 C ATOM 1304 CD GLU A 83 25.307 1.837 -26.022 1.00 0.00 C ATOM 1305 OE1 GLU A 83 24.462 1.537 -26.890 1.00 0.00 O ATOM 1306 OE2 GLU A 83 26.206 1.058 -25.642 1.00 0.00 O ATOM 0 H GLU A 83 26.821 5.436 -24.862 1.00 0.00 H new ATOM 0 HA GLU A 83 27.189 3.915 -27.254 1.00 0.00 H new ATOM 0 HB2 GLU A 83 24.709 5.190 -26.031 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.706 3.996 -27.315 1.00 0.00 H new ATOM 0 HG2 GLU A 83 26.084 3.347 -24.719 1.00 0.00 H new ATOM 0 HG3 GLU A 83 24.334 3.294 -24.792 1.00 0.00 H new ATOM 1313 N HIS A 84 26.045 7.012 -27.545 1.00 0.00 N ATOM 1314 CA HIS A 84 25.903 8.124 -28.478 1.00 0.00 C ATOM 1315 C HIS A 84 27.223 8.407 -29.190 1.00 0.00 C ATOM 1316 O HIS A 84 28.281 7.940 -28.767 1.00 0.00 O ATOM 1317 CB HIS A 84 25.428 9.377 -27.743 1.00 0.00 C ATOM 1318 CG HIS A 84 24.660 10.326 -28.611 1.00 0.00 C ATOM 1319 ND1 HIS A 84 25.075 11.163 -29.590 1.00 0.00 N flip ATOM 1320 CD2 HIS A 84 23.294 10.492 -28.520 1.00 0.00 C flip ATOM 1321 CE1 HIS A 84 23.963 11.812 -30.069 1.00 0.00 C flip ATOM 1322 NE2 HIS A 84 22.902 11.389 -29.406 1.00 0.00 N flip ATOM 0 H HIS A 84 25.717 7.210 -26.600 1.00 0.00 H new ATOM 0 HA HIS A 84 25.159 7.847 -29.225 1.00 0.00 H new ATOM 0 HB2 HIS A 84 24.802 9.079 -26.902 1.00 0.00 H new ATOM 0 HB3 HIS A 84 26.293 9.895 -27.329 1.00 0.00 H new ATOM 0 HD2 HIS A 84 22.646 9.970 -27.832 1.00 0.00 H new ATOM 0 HE1 HIS A 84 23.957 12.548 -30.859 1.00 0.00 H new ATOM 0 HE2 HIS A 84 21.943 11.702 -29.553 1.00 0.00 H new ATOM 1330 N HIS A 85 27.153 9.175 -30.272 1.00 0.00 N ATOM 1331 CA HIS A 85 28.342 9.521 -31.043 1.00 0.00 C ATOM 1332 C HIS A 85 29.149 10.608 -30.338 1.00 0.00 C ATOM 1333 O HIS A 85 29.538 11.601 -30.952 1.00 0.00 O ATOM 1334 CB HIS A 85 27.950 9.988 -32.445 1.00 0.00 C ATOM 1335 CG HIS A 85 27.013 9.055 -33.147 1.00 0.00 C ATOM 1336 ND1 HIS A 85 25.745 8.684 -32.852 1.00 0.00 N flip ATOM 1337 CD2 HIS A 85 27.349 8.378 -34.301 1.00 0.00 C flip ATOM 1338 CE1 HIS A 85 25.342 7.802 -33.823 1.00 0.00 C flip ATOM 1339 NE2 HIS A 85 26.328 7.634 -34.686 1.00 0.00 N flip ATOM 0 H HIS A 85 26.285 9.570 -30.635 1.00 0.00 H new ATOM 0 HA HIS A 85 28.963 8.629 -31.127 1.00 0.00 H new ATOM 0 HB2 HIS A 85 27.485 10.971 -32.375 1.00 0.00 H new ATOM 0 HB3 HIS A 85 28.852 10.104 -33.046 1.00 0.00 H new ATOM 0 HD2 HIS A 85 28.299 8.446 -34.810 1.00 0.00 H new ATOM 0 HE1 HIS A 85 24.375 7.323 -33.873 1.00 0.00 H new ATOM 0 HE2 HIS A 85 26.305 7.032 -35.509 1.00 0.00 H new ATOM 1347 N MET A 86 29.395 10.412 -29.047 1.00 0.00 N ATOM 1348 CA MET A 86 30.155 11.376 -28.260 1.00 0.00 C ATOM 1349 C MET A 86 31.638 11.019 -28.249 1.00 0.00 C ATOM 1350 O MET A 86 32.002 9.844 -28.261 1.00 0.00 O ATOM 1351 CB MET A 86 29.621 11.431 -26.827 1.00 0.00 C ATOM 1352 CG MET A 86 28.533 12.473 -26.624 1.00 0.00 C ATOM 1353 SD MET A 86 27.177 12.301 -27.800 1.00 0.00 S ATOM 1354 CE MET A 86 25.795 12.859 -26.808 1.00 0.00 C ATOM 0 H MET A 86 29.079 9.595 -28.524 1.00 0.00 H new ATOM 0 HA MET A 86 30.039 12.357 -28.721 1.00 0.00 H new ATOM 0 HB2 MET A 86 29.229 10.451 -26.556 1.00 0.00 H new ATOM 0 HB3 MET A 86 30.447 11.643 -26.148 1.00 0.00 H new ATOM 0 HG2 MET A 86 28.142 12.391 -25.610 1.00 0.00 H new ATOM 0 HG3 MET A 86 28.967 13.468 -26.719 1.00 0.00 H new ATOM 0 HE1 MET A 86 24.908 12.946 -27.436 1.00 0.00 H new ATOM 0 HE2 MET A 86 25.606 12.140 -26.011 1.00 0.00 H new ATOM 0 HE3 MET A 86 26.028 13.831 -26.373 1.00 0.00 H new ATOM 1364 N GLU A 87 32.488 12.041 -28.225 1.00 0.00 N ATOM 1365 CA GLU A 87 33.931 11.833 -28.214 1.00 0.00 C ATOM 1366 C GLU A 87 34.567 12.494 -26.994 1.00 0.00 C ATOM 1367 O GLU A 87 34.881 13.684 -27.012 1.00 0.00 O ATOM 1368 CB GLU A 87 34.559 12.389 -29.494 1.00 0.00 C ATOM 1369 CG GLU A 87 33.820 13.589 -30.063 1.00 0.00 C ATOM 1370 CD GLU A 87 34.593 14.279 -31.170 1.00 0.00 C ATOM 1371 OE1 GLU A 87 34.740 13.677 -32.254 1.00 0.00 O ATOM 1372 OE2 GLU A 87 35.050 15.420 -30.953 1.00 0.00 O ATOM 0 H GLU A 87 32.202 13.020 -28.213 1.00 0.00 H new ATOM 0 HA GLU A 87 34.117 10.760 -28.163 1.00 0.00 H new ATOM 0 HB2 GLU A 87 35.591 12.672 -29.289 1.00 0.00 H new ATOM 0 HB3 GLU A 87 34.588 11.601 -30.246 1.00 0.00 H new ATOM 0 HG2 GLU A 87 32.852 13.266 -30.447 1.00 0.00 H new ATOM 0 HG3 GLU A 87 33.623 14.303 -29.263 1.00 0.00 H new ATOM 1379 N ALA A 88 34.752 11.713 -25.935 1.00 0.00 N ATOM 1380 CA ALA A 88 35.351 12.221 -24.707 1.00 0.00 C ATOM 1381 C ALA A 88 36.187 11.147 -24.019 1.00 0.00 C ATOM 1382 O ALA A 88 35.950 9.952 -24.198 1.00 0.00 O ATOM 1383 CB ALA A 88 34.270 12.734 -23.766 1.00 0.00 C ATOM 0 H ALA A 88 34.496 10.726 -25.903 1.00 0.00 H new ATOM 0 HA ALA A 88 36.012 13.047 -24.969 1.00 0.00 H new ATOM 0 HB1 ALA A 88 34.731 13.110 -22.853 1.00 0.00 H new ATOM 0 HB2 ALA A 88 33.717 13.538 -24.251 1.00 0.00 H new ATOM 0 HB3 ALA A 88 33.587 11.921 -23.519 1.00 0.00 H new ATOM 1389 N HIS A 89 37.166 11.580 -23.231 1.00 0.00 N ATOM 1390 CA HIS A 89 38.038 10.655 -22.515 1.00 0.00 C ATOM 1391 C HIS A 89 37.235 9.792 -21.546 1.00 0.00 C ATOM 1392 O HIS A 89 36.426 10.300 -20.770 1.00 0.00 O ATOM 1393 CB HIS A 89 39.119 11.424 -21.756 1.00 0.00 C ATOM 1394 CG HIS A 89 38.591 12.589 -20.977 1.00 0.00 C ATOM 1395 ND1 HIS A 89 38.084 12.473 -19.700 1.00 0.00 N ATOM 1396 CD2 HIS A 89 38.495 13.900 -21.301 1.00 0.00 C ATOM 1397 CE1 HIS A 89 37.697 13.662 -19.273 1.00 0.00 C ATOM 1398 NE2 HIS A 89 37.936 14.545 -20.225 1.00 0.00 N ATOM 0 H HIS A 89 37.376 12.565 -23.072 1.00 0.00 H new ATOM 0 HA HIS A 89 38.514 10.002 -23.247 1.00 0.00 H new ATOM 0 HB2 HIS A 89 39.627 10.742 -21.074 1.00 0.00 H new ATOM 0 HB3 HIS A 89 39.866 11.781 -22.466 1.00 0.00 H new ATOM 0 HD2 HIS A 89 38.801 14.354 -22.232 1.00 0.00 H new ATOM 0 HE1 HIS A 89 37.259 13.875 -18.309 1.00 0.00 H new ATOM 0 HE2 HIS A 89 37.738 15.544 -20.170 1.00 0.00 H new ATOM 1406 N LYS A 90 37.464 8.485 -21.597 1.00 0.00 N ATOM 1407 CA LYS A 90 36.764 7.550 -20.724 1.00 0.00 C ATOM 1408 C LYS A 90 37.492 7.399 -19.392 1.00 0.00 C ATOM 1409 O LYS A 90 38.689 7.665 -19.295 1.00 0.00 O ATOM 1410 CB LYS A 90 36.633 6.185 -21.404 1.00 0.00 C ATOM 1411 CG LYS A 90 35.388 6.050 -22.262 1.00 0.00 C ATOM 1412 CD LYS A 90 34.982 4.595 -22.431 1.00 0.00 C ATOM 1413 CE LYS A 90 33.813 4.451 -23.393 1.00 0.00 C ATOM 1414 NZ LYS A 90 33.449 3.024 -23.613 1.00 0.00 N ATOM 0 H LYS A 90 38.130 8.048 -22.234 1.00 0.00 H new ATOM 0 HA LYS A 90 35.768 7.949 -20.530 1.00 0.00 H new ATOM 0 HB2 LYS A 90 37.512 6.012 -22.025 1.00 0.00 H new ATOM 0 HB3 LYS A 90 36.624 5.407 -20.640 1.00 0.00 H new ATOM 0 HG2 LYS A 90 34.569 6.607 -21.806 1.00 0.00 H new ATOM 0 HG3 LYS A 90 35.570 6.494 -23.241 1.00 0.00 H new ATOM 0 HD2 LYS A 90 35.831 4.020 -22.800 1.00 0.00 H new ATOM 0 HD3 LYS A 90 34.711 4.177 -21.462 1.00 0.00 H new ATOM 0 HE2 LYS A 90 32.951 4.989 -23.000 1.00 0.00 H new ATOM 0 HE3 LYS A 90 34.069 4.912 -24.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 32.648 2.968 -24.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 34.264 2.515 -24.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 33.180 2.591 -22.707 1.00 0.00 H new ATOM 1428 N ASN A 91 36.761 6.969 -18.369 1.00 0.00 N ATOM 1429 CA ASN A 91 37.338 6.782 -17.042 1.00 0.00 C ATOM 1430 C ASN A 91 37.636 5.308 -16.782 1.00 0.00 C ATOM 1431 O ASN A 91 38.782 4.930 -16.541 1.00 0.00 O ATOM 1432 CB ASN A 91 36.388 7.319 -15.970 1.00 0.00 C ATOM 1433 CG ASN A 91 36.886 7.040 -14.565 1.00 0.00 C ATOM 1434 OD1 ASN A 91 37.926 7.552 -14.149 1.00 0.00 O ATOM 1435 ND2 ASN A 91 36.143 6.224 -13.825 1.00 0.00 N ATOM 0 H ASN A 91 35.768 6.743 -18.433 1.00 0.00 H new ATOM 0 HA ASN A 91 38.275 7.337 -16.998 1.00 0.00 H new ATOM 0 HB2 ASN A 91 36.265 8.394 -16.102 1.00 0.00 H new ATOM 0 HB3 ASN A 91 35.405 6.867 -16.101 1.00 0.00 H new ATOM 0 HD21 ASN A 91 36.427 5.999 -12.871 1.00 0.00 H new ATOM 0 HD22 ASN A 91 35.288 5.822 -14.210 1.00 0.00 H new ATOM 1442 N SER A 92 36.596 4.482 -16.832 1.00 0.00 N ATOM 1443 CA SER A 92 36.745 3.051 -16.598 1.00 0.00 C ATOM 1444 C SER A 92 36.404 2.256 -17.855 1.00 0.00 C ATOM 1445 O SER A 92 35.242 2.167 -18.250 1.00 0.00 O ATOM 1446 CB SER A 92 35.850 2.606 -15.440 1.00 0.00 C ATOM 1447 OG SER A 92 36.421 2.953 -14.191 1.00 0.00 O ATOM 0 H SER A 92 35.641 4.779 -17.032 1.00 0.00 H new ATOM 0 HA SER A 92 37.786 2.857 -16.338 1.00 0.00 H new ATOM 0 HB2 SER A 92 34.868 3.070 -15.536 1.00 0.00 H new ATOM 0 HB3 SER A 92 35.699 1.528 -15.487 1.00 0.00 H new ATOM 0 HG SER A 92 35.829 2.659 -13.468 1.00 0.00 H new ATOM 1453 N GLY A 93 37.426 1.679 -18.479 1.00 0.00 N ATOM 1454 CA GLY A 93 37.215 0.899 -19.685 1.00 0.00 C ATOM 1455 C GLY A 93 36.267 -0.263 -19.465 1.00 0.00 C ATOM 1456 O GLY A 93 36.311 -0.942 -18.439 1.00 0.00 O ATOM 0 H GLY A 93 38.397 1.738 -18.171 1.00 0.00 H new ATOM 0 HA2 GLY A 93 36.817 1.545 -20.467 1.00 0.00 H new ATOM 0 HA3 GLY A 93 38.173 0.520 -20.041 1.00 0.00 H new ATOM 1460 N PRO A 94 35.384 -0.505 -20.445 1.00 0.00 N ATOM 1461 CA PRO A 94 34.404 -1.594 -20.377 1.00 0.00 C ATOM 1462 C PRO A 94 35.055 -2.968 -20.490 1.00 0.00 C ATOM 1463 O PRO A 94 35.890 -3.199 -21.365 1.00 0.00 O ATOM 1464 CB PRO A 94 33.497 -1.331 -21.581 1.00 0.00 C ATOM 1465 CG PRO A 94 34.349 -0.570 -22.538 1.00 0.00 C ATOM 1466 CD PRO A 94 35.274 0.264 -21.695 1.00 0.00 C ATOM 0 HA PRO A 94 33.876 -1.608 -19.424 1.00 0.00 H new ATOM 0 HB2 PRO A 94 33.143 -2.263 -22.021 1.00 0.00 H new ATOM 0 HB3 PRO A 94 32.615 -0.758 -21.295 1.00 0.00 H new ATOM 0 HG2 PRO A 94 34.911 -1.246 -23.183 1.00 0.00 H new ATOM 0 HG3 PRO A 94 33.740 0.058 -23.188 1.00 0.00 H new ATOM 0 HD2 PRO A 94 36.245 0.395 -22.173 1.00 0.00 H new ATOM 0 HD3 PRO A 94 34.869 1.260 -21.519 1.00 0.00 H new ATOM 1474 N SER A 95 34.668 -3.877 -19.601 1.00 0.00 N ATOM 1475 CA SER A 95 35.217 -5.228 -19.600 1.00 0.00 C ATOM 1476 C SER A 95 34.213 -6.221 -19.024 1.00 0.00 C ATOM 1477 O SER A 95 33.986 -6.262 -17.815 1.00 0.00 O ATOM 1478 CB SER A 95 36.516 -5.273 -18.793 1.00 0.00 C ATOM 1479 OG SER A 95 36.251 -5.415 -17.408 1.00 0.00 O ATOM 0 H SER A 95 33.976 -3.702 -18.872 1.00 0.00 H new ATOM 0 HA SER A 95 35.429 -5.509 -20.632 1.00 0.00 H new ATOM 0 HB2 SER A 95 37.132 -6.104 -19.136 1.00 0.00 H new ATOM 0 HB3 SER A 95 37.087 -4.361 -18.966 1.00 0.00 H new ATOM 0 HG SER A 95 35.293 -5.288 -17.243 1.00 0.00 H new ATOM 1485 N SER A 96 33.614 -7.022 -19.900 1.00 0.00 N ATOM 1486 CA SER A 96 32.630 -8.014 -19.481 1.00 0.00 C ATOM 1487 C SER A 96 33.244 -9.007 -18.499 1.00 0.00 C ATOM 1488 O SER A 96 32.632 -9.361 -17.493 1.00 0.00 O ATOM 1489 CB SER A 96 32.074 -8.758 -20.697 1.00 0.00 C ATOM 1490 OG SER A 96 33.098 -9.472 -21.369 1.00 0.00 O ATOM 0 H SER A 96 33.793 -7.003 -20.904 1.00 0.00 H new ATOM 0 HA SER A 96 31.815 -7.492 -18.980 1.00 0.00 H new ATOM 0 HB2 SER A 96 31.293 -9.449 -20.379 1.00 0.00 H new ATOM 0 HB3 SER A 96 31.612 -8.047 -21.382 1.00 0.00 H new ATOM 0 HG SER A 96 32.718 -9.940 -22.141 1.00 0.00 H new ATOM 1496 N GLY A 97 34.460 -9.453 -18.801 1.00 0.00 N ATOM 1497 CA GLY A 97 35.138 -10.402 -17.937 1.00 0.00 C ATOM 1498 C GLY A 97 36.038 -11.347 -18.707 1.00 0.00 C ATOM 1499 O GLY A 97 35.581 -12.057 -19.604 1.00 0.00 O ATOM 0 H GLY A 97 34.987 -9.174 -19.628 1.00 0.00 H new ATOM 0 HA2 GLY A 97 35.731 -9.859 -17.201 1.00 0.00 H new ATOM 0 HA3 GLY A 97 34.397 -10.980 -17.385 1.00 0.00 H new TER 1503 GLY A 97