USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 894 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+ -120:sc= 0.0816 (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 16:sc= 1.2 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -143:sc= 0.564 (180deg=0.128) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 170:sc= -0.0128 USER MOD Single : A 23 SER OG : rot 32:sc= 0.995 USER MOD Single : A 26 THR OG1 : rot 73:sc= -0.663 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.65 K(o=-0.65,f=-6.5!) USER MOD Single : A 39 LYS NZ :NH3+ -126:sc= 0.0564 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 154:sc= -0.107 (180deg=-0.499) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -131:sc= 0.129 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= 0.539 (180deg=0.248) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -140:sc= -0.983 (180deg=-2.8!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.535 X(o=-0.54,f=-0.53) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0762 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.0416 K(o=-0.042,f=-1.4) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-2.9) USER MOD Single : A 86 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.423) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot -58:sc= 0.728 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 30:sc= 0.396 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot -100:sc= -1.25 USER MOD Single : A 111 ASN :FLIP amide:sc= -3.44 F(o=-5.1!,f=-3.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.741 -1.241 32.877 1.00 0.00 N ATOM 2 CA GLY A 1 8.084 -1.748 32.658 1.00 0.00 C ATOM 3 C GLY A 1 9.069 -0.650 32.313 1.00 0.00 C ATOM 4 O GLY A 1 8.753 0.535 32.425 1.00 0.00 O ATOM 0 H1 GLY A 1 6.436 -1.472 33.844 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.734 -0.209 32.749 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.089 -1.679 32.195 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.423 -2.268 33.554 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.065 -2.481 31.852 1.00 0.00 H new ATOM 8 N SER A 2 10.267 -1.042 31.893 1.00 0.00 N ATOM 9 CA SER A 2 11.305 -0.082 31.535 1.00 0.00 C ATOM 10 C SER A 2 11.501 -0.031 30.023 1.00 0.00 C ATOM 11 O SER A 2 11.178 -0.983 29.312 1.00 0.00 O ATOM 12 CB SER A 2 12.624 -0.445 32.220 1.00 0.00 C ATOM 13 OG SER A 2 12.992 -1.784 31.939 1.00 0.00 O ATOM 0 H SER A 2 10.543 -2.019 31.792 1.00 0.00 H new ATOM 0 HA SER A 2 10.986 0.903 31.876 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.411 0.230 31.883 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.528 -0.309 33.297 1.00 0.00 H new ATOM 0 HG SER A 2 13.839 -1.991 32.386 1.00 0.00 H new ATOM 19 N SER A 3 12.032 1.086 29.538 1.00 0.00 N ATOM 20 CA SER A 3 12.269 1.264 28.110 1.00 0.00 C ATOM 21 C SER A 3 13.531 2.085 27.867 1.00 0.00 C ATOM 22 O SER A 3 14.135 2.608 28.802 1.00 0.00 O ATOM 23 CB SER A 3 11.068 1.948 27.455 1.00 0.00 C ATOM 24 OG SER A 3 11.015 3.322 27.795 1.00 0.00 O ATOM 0 H SER A 3 12.307 1.882 30.113 1.00 0.00 H new ATOM 0 HA SER A 3 12.406 0.279 27.663 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.130 1.840 26.372 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.148 1.456 27.772 1.00 0.00 H new ATOM 0 HG SER A 3 10.239 3.736 27.362 1.00 0.00 H new ATOM 30 N GLY A 4 13.925 2.192 26.601 1.00 0.00 N ATOM 31 CA GLY A 4 15.113 2.950 26.255 1.00 0.00 C ATOM 32 C GLY A 4 14.801 4.391 25.905 1.00 0.00 C ATOM 33 O GLY A 4 13.894 4.993 26.479 1.00 0.00 O ATOM 0 H GLY A 4 13.442 1.767 25.809 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.812 2.926 27.091 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.610 2.474 25.410 1.00 0.00 H new ATOM 37 N SER A 5 15.555 4.946 24.962 1.00 0.00 N ATOM 38 CA SER A 5 15.357 6.328 24.540 1.00 0.00 C ATOM 39 C SER A 5 16.063 6.597 23.214 1.00 0.00 C ATOM 40 O SER A 5 16.821 5.762 22.721 1.00 0.00 O ATOM 41 CB SER A 5 15.875 7.290 25.611 1.00 0.00 C ATOM 42 OG SER A 5 14.931 7.443 26.657 1.00 0.00 O ATOM 0 H SER A 5 16.309 4.460 24.476 1.00 0.00 H new ATOM 0 HA SER A 5 14.288 6.491 24.403 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.815 6.916 26.017 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.086 8.261 25.162 1.00 0.00 H new ATOM 0 HG SER A 5 14.268 6.723 26.607 1.00 0.00 H new ATOM 48 N SER A 6 15.807 7.769 22.642 1.00 0.00 N ATOM 49 CA SER A 6 16.414 8.149 21.372 1.00 0.00 C ATOM 50 C SER A 6 16.521 9.666 21.253 1.00 0.00 C ATOM 51 O SER A 6 15.901 10.405 22.016 1.00 0.00 O ATOM 52 CB SER A 6 15.596 7.591 20.205 1.00 0.00 C ATOM 53 OG SER A 6 16.389 7.475 19.036 1.00 0.00 O ATOM 0 H SER A 6 15.183 8.472 23.038 1.00 0.00 H new ATOM 0 HA SER A 6 17.419 7.728 21.337 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.193 6.614 20.473 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.745 8.244 20.008 1.00 0.00 H new ATOM 0 HG SER A 6 15.844 7.115 18.305 1.00 0.00 H new ATOM 59 N GLY A 7 17.313 10.123 20.287 1.00 0.00 N ATOM 60 CA GLY A 7 17.488 11.550 20.085 1.00 0.00 C ATOM 61 C GLY A 7 18.273 11.865 18.827 1.00 0.00 C ATOM 62 O GLY A 7 19.303 11.247 18.559 1.00 0.00 O ATOM 0 H GLY A 7 17.836 9.531 19.641 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.510 12.029 20.029 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.002 11.976 20.947 1.00 0.00 H new ATOM 66 N ALA A 8 17.785 12.828 18.052 1.00 0.00 N ATOM 67 CA ALA A 8 18.448 13.223 16.816 1.00 0.00 C ATOM 68 C ALA A 8 17.897 14.547 16.297 1.00 0.00 C ATOM 69 O ALA A 8 16.900 15.057 16.806 1.00 0.00 O ATOM 70 CB ALA A 8 18.293 12.136 15.763 1.00 0.00 C ATOM 0 H ALA A 8 16.933 13.349 18.259 1.00 0.00 H new ATOM 0 HA ALA A 8 19.508 13.359 17.029 1.00 0.00 H new ATOM 0 HB1 ALA A 8 18.793 12.445 14.845 1.00 0.00 H new ATOM 0 HB2 ALA A 8 18.740 11.211 16.126 1.00 0.00 H new ATOM 0 HB3 ALA A 8 17.234 11.973 15.562 1.00 0.00 H new ATOM 76 N GLU A 9 18.555 15.099 15.282 1.00 0.00 N ATOM 77 CA GLU A 9 18.130 16.365 14.696 1.00 0.00 C ATOM 78 C GLU A 9 17.151 16.133 13.549 1.00 0.00 C ATOM 79 O GLU A 9 17.424 15.357 12.635 1.00 0.00 O ATOM 80 CB GLU A 9 19.343 17.152 14.194 1.00 0.00 C ATOM 81 CG GLU A 9 20.036 17.960 15.279 1.00 0.00 C ATOM 82 CD GLU A 9 19.080 18.861 16.036 1.00 0.00 C ATOM 83 OE1 GLU A 9 18.492 19.765 15.406 1.00 0.00 O ATOM 84 OE2 GLU A 9 18.921 18.663 17.258 1.00 0.00 O ATOM 0 H GLU A 9 19.383 14.690 14.849 1.00 0.00 H new ATOM 0 HA GLU A 9 17.625 16.943 15.470 1.00 0.00 H new ATOM 0 HB2 GLU A 9 20.060 16.458 13.756 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.025 17.826 13.398 1.00 0.00 H new ATOM 0 HG2 GLU A 9 20.520 17.280 15.980 1.00 0.00 H new ATOM 0 HG3 GLU A 9 20.822 18.567 14.829 1.00 0.00 H new ATOM 91 N GLU A 10 16.009 16.812 13.607 1.00 0.00 N ATOM 92 CA GLU A 10 14.989 16.679 12.574 1.00 0.00 C ATOM 93 C GLU A 10 15.626 16.492 11.200 1.00 0.00 C ATOM 94 O GLU A 10 16.670 17.065 10.889 1.00 0.00 O ATOM 95 CB GLU A 10 14.079 17.909 12.563 1.00 0.00 C ATOM 96 CG GLU A 10 13.318 18.115 13.862 1.00 0.00 C ATOM 97 CD GLU A 10 14.092 18.948 14.865 1.00 0.00 C ATOM 98 OE1 GLU A 10 14.039 20.192 14.771 1.00 0.00 O ATOM 99 OE2 GLU A 10 14.751 18.355 15.745 1.00 0.00 O ATOM 0 H GLU A 10 15.768 17.459 14.358 1.00 0.00 H new ATOM 0 HA GLU A 10 14.392 15.796 12.801 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.682 18.794 12.360 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.365 17.815 11.745 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.367 18.602 13.648 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.088 17.145 14.302 1.00 0.00 H new ATOM 106 N PRO A 11 14.984 15.669 10.358 1.00 0.00 N ATOM 107 CA PRO A 11 15.469 15.386 9.004 1.00 0.00 C ATOM 108 C PRO A 11 15.342 16.592 8.079 1.00 0.00 C ATOM 109 O PRO A 11 14.305 17.256 8.046 1.00 0.00 O ATOM 110 CB PRO A 11 14.559 14.251 8.530 1.00 0.00 C ATOM 111 CG PRO A 11 13.309 14.411 9.325 1.00 0.00 C ATOM 112 CD PRO A 11 13.735 14.951 10.662 1.00 0.00 C ATOM 0 HA PRO A 11 16.529 15.132 8.996 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.360 14.323 7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.017 13.277 8.704 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.617 15.093 8.831 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.792 13.458 9.436 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.982 15.616 11.085 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.897 14.152 11.385 1.00 0.00 H new ATOM 120 N THR A 12 16.402 16.870 7.327 1.00 0.00 N ATOM 121 CA THR A 12 16.409 17.996 6.402 1.00 0.00 C ATOM 122 C THR A 12 15.750 17.625 5.078 1.00 0.00 C ATOM 123 O THR A 12 16.271 17.930 4.007 1.00 0.00 O ATOM 124 CB THR A 12 17.842 18.489 6.127 1.00 0.00 C ATOM 125 OG1 THR A 12 18.598 18.500 7.344 1.00 0.00 O ATOM 126 CG2 THR A 12 17.828 19.885 5.521 1.00 0.00 C ATOM 0 H THR A 12 17.267 16.330 7.341 1.00 0.00 H new ATOM 0 HA THR A 12 15.841 18.797 6.876 1.00 0.00 H new ATOM 0 HB THR A 12 18.307 17.806 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.508 18.813 7.161 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.851 20.212 5.336 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.277 19.868 4.581 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.346 20.577 6.212 1.00 0.00 H new ATOM 134 N GLY A 13 14.599 16.964 5.161 1.00 0.00 N ATOM 135 CA GLY A 13 13.887 16.562 3.962 1.00 0.00 C ATOM 136 C GLY A 13 12.383 16.683 4.113 1.00 0.00 C ATOM 137 O GLY A 13 11.858 16.645 5.226 1.00 0.00 O ATOM 0 H GLY A 13 14.147 16.700 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.216 17.177 3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.143 15.531 3.720 1.00 0.00 H new ATOM 141 N VAL A 14 11.687 16.832 2.990 1.00 0.00 N ATOM 142 CA VAL A 14 10.235 16.959 3.002 1.00 0.00 C ATOM 143 C VAL A 14 9.574 15.670 3.476 1.00 0.00 C ATOM 144 O VAL A 14 8.587 15.700 4.212 1.00 0.00 O ATOM 145 CB VAL A 14 9.691 17.319 1.606 1.00 0.00 C ATOM 146 CG1 VAL A 14 10.328 16.437 0.542 1.00 0.00 C ATOM 147 CG2 VAL A 14 8.176 17.194 1.577 1.00 0.00 C ATOM 0 H VAL A 14 12.106 16.868 2.061 1.00 0.00 H new ATOM 0 HA VAL A 14 9.994 17.764 3.696 1.00 0.00 H new ATOM 0 HB VAL A 14 9.951 18.355 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.932 16.705 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.408 16.581 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.100 15.392 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.809 17.452 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.891 16.169 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.741 17.871 2.312 1.00 0.00 H new ATOM 157 N PHE A 15 10.124 14.538 3.050 1.00 0.00 N ATOM 158 CA PHE A 15 9.588 13.236 3.431 1.00 0.00 C ATOM 159 C PHE A 15 9.914 12.918 4.887 1.00 0.00 C ATOM 160 O PHE A 15 10.934 12.295 5.185 1.00 0.00 O ATOM 161 CB PHE A 15 10.150 12.143 2.520 1.00 0.00 C ATOM 162 CG PHE A 15 9.316 11.895 1.296 1.00 0.00 C ATOM 163 CD1 PHE A 15 8.928 12.947 0.481 1.00 0.00 C ATOM 164 CD2 PHE A 15 8.919 10.611 0.960 1.00 0.00 C ATOM 165 CE1 PHE A 15 8.160 12.722 -0.647 1.00 0.00 C ATOM 166 CE2 PHE A 15 8.152 10.380 -0.167 1.00 0.00 C ATOM 167 CZ PHE A 15 7.771 11.437 -0.970 1.00 0.00 C ATOM 0 H PHE A 15 10.941 14.496 2.441 1.00 0.00 H new ATOM 0 HA PHE A 15 8.504 13.271 3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 15 11.158 12.420 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.233 11.216 3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.229 13.954 0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.212 9.781 1.586 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.865 13.550 -1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.851 9.374 -0.419 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.170 11.259 -1.849 1.00 0.00 H new ATOM 177 N LEU A 16 9.042 13.352 5.790 1.00 0.00 N ATOM 178 CA LEU A 16 9.236 13.115 7.217 1.00 0.00 C ATOM 179 C LEU A 16 9.358 11.623 7.509 1.00 0.00 C ATOM 180 O LEU A 16 10.062 11.215 8.433 1.00 0.00 O ATOM 181 CB LEU A 16 8.075 13.709 8.015 1.00 0.00 C ATOM 182 CG LEU A 16 8.237 15.166 8.452 1.00 0.00 C ATOM 183 CD1 LEU A 16 6.891 15.763 8.829 1.00 0.00 C ATOM 184 CD2 LEU A 16 9.213 15.268 9.616 1.00 0.00 C ATOM 0 H LEU A 16 8.194 13.870 5.560 1.00 0.00 H new ATOM 0 HA LEU A 16 10.163 13.603 7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.169 13.629 7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.922 13.098 8.905 1.00 0.00 H new ATOM 0 HG LEU A 16 8.641 15.734 7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.026 16.800 9.137 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.222 15.724 7.969 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.458 15.194 9.651 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.316 16.311 9.914 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.838 14.686 10.458 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.185 14.880 9.311 1.00 0.00 H new ATOM 196 N LYS A 17 8.669 10.811 6.714 1.00 0.00 N ATOM 197 CA LYS A 17 8.701 9.364 6.884 1.00 0.00 C ATOM 198 C LYS A 17 8.828 8.660 5.536 1.00 0.00 C ATOM 199 O LYS A 17 8.065 8.932 4.608 1.00 0.00 O ATOM 200 CB LYS A 17 7.438 8.885 7.604 1.00 0.00 C ATOM 201 CG LYS A 17 7.653 7.638 8.445 1.00 0.00 C ATOM 202 CD LYS A 17 7.793 6.399 7.577 1.00 0.00 C ATOM 203 CE LYS A 17 7.988 5.148 8.420 1.00 0.00 C ATOM 204 NZ LYS A 17 7.611 3.914 7.677 1.00 0.00 N ATOM 0 H LYS A 17 8.081 11.132 5.945 1.00 0.00 H new ATOM 0 HA LYS A 17 9.573 9.114 7.489 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.069 9.686 8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.662 8.685 6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.548 7.759 9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.815 7.511 9.130 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.904 6.286 6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.640 6.520 6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.030 5.080 8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.388 5.224 9.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.158 3.242 8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.948 4.157 6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.464 3.480 7.269 1.00 0.00 H new ATOM 218 N LYS A 18 9.794 7.754 5.435 1.00 0.00 N ATOM 219 CA LYS A 18 10.019 7.009 4.202 1.00 0.00 C ATOM 220 C LYS A 18 9.459 5.595 4.311 1.00 0.00 C ATOM 221 O LYS A 18 9.516 4.958 5.363 1.00 0.00 O ATOM 222 CB LYS A 18 11.515 6.953 3.882 1.00 0.00 C ATOM 223 CG LYS A 18 12.131 8.316 3.619 1.00 0.00 C ATOM 224 CD LYS A 18 13.650 8.250 3.615 1.00 0.00 C ATOM 225 CE LYS A 18 14.266 9.614 3.344 1.00 0.00 C ATOM 226 NZ LYS A 18 15.713 9.648 3.697 1.00 0.00 N ATOM 0 H LYS A 18 10.434 7.518 6.193 1.00 0.00 H new ATOM 0 HA LYS A 18 9.500 7.525 3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.039 6.481 4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.668 6.320 3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.780 8.696 2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.798 9.020 4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.002 7.875 4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.983 7.542 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.143 9.866 2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.734 10.373 3.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.097 10.594 3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.829 9.433 4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.225 8.941 3.132 1.00 0.00 H new ATOM 240 N PRO A 19 8.905 5.089 3.199 1.00 0.00 N ATOM 241 CA PRO A 19 8.326 3.744 3.144 1.00 0.00 C ATOM 242 C PRO A 19 9.387 2.652 3.230 1.00 0.00 C ATOM 243 O PRO A 19 9.958 2.248 2.217 1.00 0.00 O ATOM 244 CB PRO A 19 7.633 3.711 1.780 1.00 0.00 C ATOM 245 CG PRO A 19 8.369 4.712 0.957 1.00 0.00 C ATOM 246 CD PRO A 19 8.802 5.792 1.909 1.00 0.00 C ATOM 0 HA PRO A 19 7.655 3.555 3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.684 2.718 1.334 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.577 3.968 1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.229 4.257 0.466 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.731 5.117 0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.755 6.230 1.613 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.077 6.605 1.951 1.00 0.00 H new ATOM 254 N ASP A 20 9.644 2.178 4.443 1.00 0.00 N ATOM 255 CA ASP A 20 10.636 1.131 4.660 1.00 0.00 C ATOM 256 C ASP A 20 10.186 -0.183 4.029 1.00 0.00 C ATOM 257 O ASP A 20 9.041 -0.604 4.196 1.00 0.00 O ATOM 258 CB ASP A 20 10.882 0.934 6.157 1.00 0.00 C ATOM 259 CG ASP A 20 11.945 1.870 6.697 1.00 0.00 C ATOM 260 OD1 ASP A 20 13.135 1.659 6.384 1.00 0.00 O ATOM 261 OD2 ASP A 20 11.587 2.813 7.434 1.00 0.00 O ATOM 0 H ASP A 20 9.180 2.502 5.292 1.00 0.00 H new ATOM 0 HA ASP A 20 11.566 1.442 4.185 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.950 1.095 6.700 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.183 -0.097 6.340 1.00 0.00 H new ATOM 266 N SER A 21 11.095 -0.827 3.303 1.00 0.00 N ATOM 267 CA SER A 21 10.790 -2.091 2.643 1.00 0.00 C ATOM 268 C SER A 21 10.058 -3.036 3.590 1.00 0.00 C ATOM 269 O SER A 21 10.517 -3.298 4.702 1.00 0.00 O ATOM 270 CB SER A 21 12.075 -2.750 2.138 1.00 0.00 C ATOM 271 OG SER A 21 12.645 -2.007 1.074 1.00 0.00 O ATOM 0 H SER A 21 12.048 -0.494 3.157 1.00 0.00 H new ATOM 0 HA SER A 21 10.140 -1.881 1.794 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.792 -2.830 2.955 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.860 -3.765 1.803 1.00 0.00 H new ATOM 0 HG SER A 21 13.540 -2.353 0.876 1.00 0.00 H new ATOM 277 N VAL A 22 8.915 -3.546 3.142 1.00 0.00 N ATOM 278 CA VAL A 22 8.119 -4.463 3.948 1.00 0.00 C ATOM 279 C VAL A 22 8.090 -5.856 3.328 1.00 0.00 C ATOM 280 O VAL A 22 7.702 -6.024 2.172 1.00 0.00 O ATOM 281 CB VAL A 22 6.674 -3.956 4.112 1.00 0.00 C ATOM 282 CG1 VAL A 22 6.648 -2.671 4.925 1.00 0.00 C ATOM 283 CG2 VAL A 22 6.024 -3.751 2.752 1.00 0.00 C ATOM 0 H VAL A 22 8.520 -3.339 2.225 1.00 0.00 H new ATOM 0 HA VAL A 22 8.592 -4.515 4.929 1.00 0.00 H new ATOM 0 HB VAL A 22 6.102 -4.710 4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.619 -2.328 5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.072 -2.856 5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.235 -1.906 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.003 -3.393 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.594 -3.017 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.008 -4.697 2.210 1.00 0.00 H new ATOM 293 N SER A 23 8.502 -6.852 4.105 1.00 0.00 N ATOM 294 CA SER A 23 8.526 -8.231 3.632 1.00 0.00 C ATOM 295 C SER A 23 7.252 -8.967 4.037 1.00 0.00 C ATOM 296 O SER A 23 7.036 -9.257 5.213 1.00 0.00 O ATOM 297 CB SER A 23 9.749 -8.962 4.188 1.00 0.00 C ATOM 298 OG SER A 23 9.678 -9.075 5.599 1.00 0.00 O ATOM 0 H SER A 23 8.824 -6.730 5.065 1.00 0.00 H new ATOM 0 HA SER A 23 8.585 -8.214 2.544 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.816 -9.955 3.743 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.656 -8.425 3.908 1.00 0.00 H new ATOM 0 HG SER A 23 8.741 -9.153 5.874 1.00 0.00 H new ATOM 304 N VAL A 24 6.411 -9.267 3.052 1.00 0.00 N ATOM 305 CA VAL A 24 5.159 -9.970 3.303 1.00 0.00 C ATOM 306 C VAL A 24 5.170 -11.356 2.669 1.00 0.00 C ATOM 307 O VAL A 24 6.046 -11.675 1.867 1.00 0.00 O ATOM 308 CB VAL A 24 3.953 -9.180 2.762 1.00 0.00 C ATOM 309 CG1 VAL A 24 4.129 -7.692 3.022 1.00 0.00 C ATOM 310 CG2 VAL A 24 3.762 -9.451 1.277 1.00 0.00 C ATOM 0 H VAL A 24 6.575 -9.034 2.073 1.00 0.00 H new ATOM 0 HA VAL A 24 5.064 -10.069 4.384 1.00 0.00 H new ATOM 0 HB VAL A 24 3.058 -9.513 3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.267 -7.150 2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.213 -7.518 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.033 -7.340 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.905 -8.885 0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.657 -9.147 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.587 -10.515 1.121 1.00 0.00 H new ATOM 320 N GLU A 25 4.190 -12.177 3.036 1.00 0.00 N ATOM 321 CA GLU A 25 4.088 -13.530 2.502 1.00 0.00 C ATOM 322 C GLU A 25 2.960 -13.628 1.479 1.00 0.00 C ATOM 323 O GLU A 25 1.918 -12.988 1.622 1.00 0.00 O ATOM 324 CB GLU A 25 3.852 -14.532 3.634 1.00 0.00 C ATOM 325 CG GLU A 25 5.117 -14.908 4.387 1.00 0.00 C ATOM 326 CD GLU A 25 4.839 -15.345 5.813 1.00 0.00 C ATOM 327 OE1 GLU A 25 4.188 -14.578 6.553 1.00 0.00 O ATOM 328 OE2 GLU A 25 5.272 -16.455 6.187 1.00 0.00 O ATOM 0 H GLU A 25 3.457 -11.929 3.700 1.00 0.00 H new ATOM 0 HA GLU A 25 5.028 -13.768 2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.133 -14.111 4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.403 -15.435 3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.625 -15.713 3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.796 -14.055 4.398 1.00 0.00 H new ATOM 335 N THR A 26 3.177 -14.433 0.443 1.00 0.00 N ATOM 336 CA THR A 26 2.181 -14.614 -0.606 1.00 0.00 C ATOM 337 C THR A 26 0.805 -14.899 -0.015 1.00 0.00 C ATOM 338 O THR A 26 0.674 -15.673 0.933 1.00 0.00 O ATOM 339 CB THR A 26 2.568 -15.764 -1.555 1.00 0.00 C ATOM 340 OG1 THR A 26 3.990 -15.812 -1.713 1.00 0.00 O ATOM 341 CG2 THR A 26 1.907 -15.589 -2.914 1.00 0.00 C ATOM 0 H THR A 26 4.034 -14.970 0.308 1.00 0.00 H new ATOM 0 HA THR A 26 2.144 -13.683 -1.171 1.00 0.00 H new ATOM 0 HB THR A 26 2.220 -16.700 -1.117 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.398 -16.166 -0.896 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.195 -16.413 -3.567 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.824 -15.583 -2.794 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.228 -14.646 -3.356 1.00 0.00 H new ATOM 349 N GLY A 27 -0.219 -14.268 -0.581 1.00 0.00 N ATOM 350 CA GLY A 27 -1.573 -14.468 -0.097 1.00 0.00 C ATOM 351 C GLY A 27 -1.909 -13.564 1.073 1.00 0.00 C ATOM 352 O GLY A 27 -3.047 -13.542 1.543 1.00 0.00 O ATOM 0 H GLY A 27 -0.136 -13.622 -1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.277 -14.284 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.698 -15.508 0.204 1.00 0.00 H new ATOM 356 N LYS A 28 -0.917 -12.817 1.545 1.00 0.00 N ATOM 357 CA LYS A 28 -1.112 -11.907 2.668 1.00 0.00 C ATOM 358 C LYS A 28 -1.409 -10.493 2.177 1.00 0.00 C ATOM 359 O LYS A 28 -1.459 -10.242 0.972 1.00 0.00 O ATOM 360 CB LYS A 28 0.128 -11.897 3.564 1.00 0.00 C ATOM 361 CG LYS A 28 0.487 -13.264 4.120 1.00 0.00 C ATOM 362 CD LYS A 28 -0.624 -13.820 4.994 1.00 0.00 C ATOM 363 CE LYS A 28 -0.153 -15.023 5.797 1.00 0.00 C ATOM 364 NZ LYS A 28 -1.210 -15.523 6.719 1.00 0.00 N ATOM 0 H LYS A 28 0.031 -12.824 1.167 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.967 -12.260 3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.974 -11.512 2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.038 -11.209 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.683 -13.952 3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.406 -13.191 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.977 -13.044 5.673 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.470 -14.107 4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.142 -15.821 5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.732 -14.752 6.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.850 -16.343 7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.474 -14.770 7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.046 -15.806 6.168 1.00 0.00 H new ATOM 378 N ASP A 29 -1.604 -9.575 3.116 1.00 0.00 N ATOM 379 CA ASP A 29 -1.893 -8.186 2.779 1.00 0.00 C ATOM 380 C ASP A 29 -0.742 -7.275 3.193 1.00 0.00 C ATOM 381 O ASP A 29 -0.380 -7.211 4.367 1.00 0.00 O ATOM 382 CB ASP A 29 -3.188 -7.732 3.456 1.00 0.00 C ATOM 383 CG ASP A 29 -3.382 -8.370 4.818 1.00 0.00 C ATOM 384 OD1 ASP A 29 -3.826 -9.537 4.869 1.00 0.00 O ATOM 385 OD2 ASP A 29 -3.090 -7.704 5.832 1.00 0.00 O ATOM 0 H ASP A 29 -1.567 -9.767 4.117 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.015 -8.119 1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.178 -6.647 3.564 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.035 -7.981 2.817 1.00 0.00 H new ATOM 390 N ALA A 30 -0.170 -6.573 2.220 1.00 0.00 N ATOM 391 CA ALA A 30 0.940 -5.665 2.484 1.00 0.00 C ATOM 392 C ALA A 30 0.435 -4.282 2.881 1.00 0.00 C ATOM 393 O ALA A 30 -0.678 -3.892 2.529 1.00 0.00 O ATOM 394 CB ALA A 30 1.844 -5.569 1.264 1.00 0.00 C ATOM 0 H ALA A 30 -0.457 -6.616 1.242 1.00 0.00 H new ATOM 0 HA ALA A 30 1.515 -6.066 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.669 -4.888 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.240 -6.556 1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.272 -5.194 0.416 1.00 0.00 H new ATOM 400 N VAL A 31 1.261 -3.545 3.616 1.00 0.00 N ATOM 401 CA VAL A 31 0.899 -2.204 4.061 1.00 0.00 C ATOM 402 C VAL A 31 2.134 -1.327 4.228 1.00 0.00 C ATOM 403 O VAL A 31 3.086 -1.701 4.914 1.00 0.00 O ATOM 404 CB VAL A 31 0.128 -2.245 5.394 1.00 0.00 C ATOM 405 CG1 VAL A 31 -0.051 -0.840 5.950 1.00 0.00 C ATOM 406 CG2 VAL A 31 -1.218 -2.929 5.210 1.00 0.00 C ATOM 0 H VAL A 31 2.186 -3.854 3.916 1.00 0.00 H new ATOM 0 HA VAL A 31 0.257 -1.778 3.290 1.00 0.00 H new ATOM 0 HB VAL A 31 0.709 -2.824 6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.598 -0.888 6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.927 -0.389 6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.610 -0.235 5.236 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.749 -2.949 6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.808 -2.379 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.063 -3.949 4.860 1.00 0.00 H new ATOM 416 N VAL A 32 2.113 -0.158 3.595 1.00 0.00 N ATOM 417 CA VAL A 32 3.232 0.774 3.674 1.00 0.00 C ATOM 418 C VAL A 32 2.827 2.058 4.389 1.00 0.00 C ATOM 419 O VAL A 32 1.693 2.520 4.264 1.00 0.00 O ATOM 420 CB VAL A 32 3.769 1.125 2.275 1.00 0.00 C ATOM 421 CG1 VAL A 32 4.928 2.105 2.378 1.00 0.00 C ATOM 422 CG2 VAL A 32 4.190 -0.135 1.534 1.00 0.00 C ATOM 0 H VAL A 32 1.334 0.166 3.022 1.00 0.00 H new ATOM 0 HA VAL A 32 4.019 0.278 4.242 1.00 0.00 H new ATOM 0 HB VAL A 32 2.970 1.603 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.294 2.341 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.589 3.019 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.732 1.658 2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.567 0.132 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.973 -0.643 2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.332 -0.798 1.427 1.00 0.00 H new ATOM 432 N VAL A 33 3.763 2.632 5.139 1.00 0.00 N ATOM 433 CA VAL A 33 3.505 3.865 5.873 1.00 0.00 C ATOM 434 C VAL A 33 4.502 4.952 5.488 1.00 0.00 C ATOM 435 O VAL A 33 5.711 4.722 5.469 1.00 0.00 O ATOM 436 CB VAL A 33 3.572 3.637 7.394 1.00 0.00 C ATOM 437 CG1 VAL A 33 3.432 4.956 8.139 1.00 0.00 C ATOM 438 CG2 VAL A 33 2.499 2.652 7.833 1.00 0.00 C ATOM 0 H VAL A 33 4.707 2.262 5.254 1.00 0.00 H new ATOM 0 HA VAL A 33 2.499 4.188 5.606 1.00 0.00 H new ATOM 0 HB VAL A 33 4.546 3.211 7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.482 4.775 9.213 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.240 5.627 7.847 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.474 5.413 7.892 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.561 2.503 8.911 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.516 3.047 7.577 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.650 1.699 7.326 1.00 0.00 H new ATOM 448 N ALA A 34 3.987 6.139 5.183 1.00 0.00 N ATOM 449 CA ALA A 34 4.832 7.263 4.802 1.00 0.00 C ATOM 450 C ALA A 34 4.144 8.592 5.095 1.00 0.00 C ATOM 451 O ALA A 34 2.916 8.681 5.095 1.00 0.00 O ATOM 452 CB ALA A 34 5.199 7.172 3.328 1.00 0.00 C ATOM 0 H ALA A 34 2.988 6.346 5.193 1.00 0.00 H new ATOM 0 HA ALA A 34 5.744 7.217 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.830 8.018 3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.739 6.243 3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.291 7.189 2.725 1.00 0.00 H new ATOM 458 N LYS A 35 4.942 9.624 5.347 1.00 0.00 N ATOM 459 CA LYS A 35 4.411 10.949 5.642 1.00 0.00 C ATOM 460 C LYS A 35 5.070 12.007 4.764 1.00 0.00 C ATOM 461 O LYS A 35 6.129 11.774 4.181 1.00 0.00 O ATOM 462 CB LYS A 35 4.626 11.290 7.119 1.00 0.00 C ATOM 463 CG LYS A 35 3.810 10.430 8.067 1.00 0.00 C ATOM 464 CD LYS A 35 3.494 11.168 9.358 1.00 0.00 C ATOM 465 CE LYS A 35 3.105 10.206 10.469 1.00 0.00 C ATOM 466 NZ LYS A 35 3.247 10.826 11.815 1.00 0.00 N ATOM 0 H LYS A 35 5.960 9.568 5.353 1.00 0.00 H new ATOM 0 HA LYS A 35 3.342 10.940 5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.683 11.178 7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.372 12.337 7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.881 10.132 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.359 9.516 8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.362 11.751 9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.681 11.874 9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.074 9.883 10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.729 9.314 10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.972 10.138 12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.236 11.111 11.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.632 11.662 11.879 1.00 0.00 H new ATOM 480 N VAL A 36 4.437 13.173 4.673 1.00 0.00 N ATOM 481 CA VAL A 36 4.963 14.268 3.868 1.00 0.00 C ATOM 482 C VAL A 36 4.749 15.610 4.559 1.00 0.00 C ATOM 483 O VAL A 36 3.625 15.970 4.904 1.00 0.00 O ATOM 484 CB VAL A 36 4.304 14.309 2.477 1.00 0.00 C ATOM 485 CG1 VAL A 36 4.861 15.461 1.655 1.00 0.00 C ATOM 486 CG2 VAL A 36 4.501 12.984 1.755 1.00 0.00 C ATOM 0 H VAL A 36 3.559 13.383 5.147 1.00 0.00 H new ATOM 0 HA VAL A 36 6.032 14.089 3.750 1.00 0.00 H new ATOM 0 HB VAL A 36 3.234 14.471 2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.383 15.473 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.663 16.403 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.937 15.334 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.029 13.031 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.567 12.789 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.048 12.181 2.337 1.00 0.00 H new ATOM 496 N ASN A 37 5.837 16.348 4.757 1.00 0.00 N ATOM 497 CA ASN A 37 5.769 17.651 5.407 1.00 0.00 C ATOM 498 C ASN A 37 5.205 18.704 4.457 1.00 0.00 C ATOM 499 O ASN A 37 5.902 19.190 3.568 1.00 0.00 O ATOM 500 CB ASN A 37 7.158 18.076 5.890 1.00 0.00 C ATOM 501 CG ASN A 37 7.094 19.147 6.963 1.00 0.00 C ATOM 502 OD1 ASN A 37 6.082 19.832 7.112 1.00 0.00 O ATOM 503 ND2 ASN A 37 8.177 19.295 7.716 1.00 0.00 N ATOM 0 H ASN A 37 6.776 16.065 4.476 1.00 0.00 H new ATOM 0 HA ASN A 37 5.103 17.567 6.265 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.686 17.206 6.280 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.736 18.447 5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.193 19.999 8.454 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.993 18.705 7.557 1.00 0.00 H new ATOM 510 N GLY A 38 3.937 19.051 4.654 1.00 0.00 N ATOM 511 CA GLY A 38 3.300 20.044 3.809 1.00 0.00 C ATOM 512 C GLY A 38 3.888 21.429 3.997 1.00 0.00 C ATOM 513 O GLY A 38 4.116 22.152 3.027 1.00 0.00 O ATOM 0 H GLY A 38 3.340 18.662 5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.403 19.748 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.233 20.073 4.029 1.00 0.00 H new ATOM 517 N LYS A 39 4.132 21.801 5.249 1.00 0.00 N ATOM 518 CA LYS A 39 4.697 23.108 5.562 1.00 0.00 C ATOM 519 C LYS A 39 5.885 23.419 4.658 1.00 0.00 C ATOM 520 O LYS A 39 5.933 24.470 4.020 1.00 0.00 O ATOM 521 CB LYS A 39 5.131 23.161 7.029 1.00 0.00 C ATOM 522 CG LYS A 39 3.968 23.203 8.005 1.00 0.00 C ATOM 523 CD LYS A 39 4.414 22.863 9.418 1.00 0.00 C ATOM 524 CE LYS A 39 4.486 21.359 9.632 1.00 0.00 C ATOM 525 NZ LYS A 39 4.792 21.014 11.048 1.00 0.00 N ATOM 0 H LYS A 39 3.947 21.216 6.064 1.00 0.00 H new ATOM 0 HA LYS A 39 3.926 23.859 5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.748 22.290 7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.756 24.041 7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.518 24.196 7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.198 22.500 7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.391 23.306 9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.720 23.301 10.135 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.537 20.906 9.345 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.252 20.936 8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.621 20.387 11.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.994 21.884 11.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.975 20.530 11.472 1.00 0.00 H new ATOM 539 N GLU A 40 6.841 22.496 4.607 1.00 0.00 N ATOM 540 CA GLU A 40 8.029 22.673 3.780 1.00 0.00 C ATOM 541 C GLU A 40 7.647 22.881 2.317 1.00 0.00 C ATOM 542 O GLU A 40 8.330 23.594 1.581 1.00 0.00 O ATOM 543 CB GLU A 40 8.953 21.460 3.910 1.00 0.00 C ATOM 544 CG GLU A 40 9.758 21.443 5.199 1.00 0.00 C ATOM 545 CD GLU A 40 10.674 22.644 5.330 1.00 0.00 C ATOM 546 OE1 GLU A 40 11.682 22.704 4.595 1.00 0.00 O ATOM 547 OE2 GLU A 40 10.384 23.523 6.168 1.00 0.00 O ATOM 0 H GLU A 40 6.816 21.619 5.128 1.00 0.00 H new ATOM 0 HA GLU A 40 8.556 23.561 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.355 20.551 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.639 21.444 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.076 21.417 6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.353 20.531 5.239 1.00 0.00 H new ATOM 554 N LEU A 41 6.552 22.253 1.903 1.00 0.00 N ATOM 555 CA LEU A 41 6.078 22.368 0.528 1.00 0.00 C ATOM 556 C LEU A 41 5.243 23.631 0.343 1.00 0.00 C ATOM 557 O LEU A 41 4.480 24.034 1.221 1.00 0.00 O ATOM 558 CB LEU A 41 5.253 21.138 0.147 1.00 0.00 C ATOM 559 CG LEU A 41 6.005 19.806 0.126 1.00 0.00 C ATOM 560 CD1 LEU A 41 5.049 18.649 0.370 1.00 0.00 C ATOM 561 CD2 LEU A 41 6.735 19.627 -1.198 1.00 0.00 C ATOM 0 H LEU A 41 5.976 21.659 2.499 1.00 0.00 H new ATOM 0 HA LEU A 41 6.948 22.431 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.421 21.052 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.823 21.305 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 41 6.744 19.815 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.602 17.710 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.572 18.770 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.287 18.636 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.265 18.674 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.014 19.639 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.450 20.439 -1.332 1.00 0.00 H new ATOM 573 N PRO A 42 5.389 24.272 -0.826 1.00 0.00 N ATOM 574 CA PRO A 42 4.654 25.497 -1.155 1.00 0.00 C ATOM 575 C PRO A 42 3.166 25.241 -1.368 1.00 0.00 C ATOM 576 O PRO A 42 2.321 25.979 -0.862 1.00 0.00 O ATOM 577 CB PRO A 42 5.308 25.964 -2.457 1.00 0.00 C ATOM 578 CG PRO A 42 5.865 24.725 -3.067 1.00 0.00 C ATOM 579 CD PRO A 42 6.281 23.848 -1.918 1.00 0.00 C ATOM 0 HA PRO A 42 4.703 26.230 -0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.582 26.438 -3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.091 26.698 -2.266 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.120 24.227 -3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.715 24.955 -3.710 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.155 22.791 -2.153 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.330 23.994 -1.660 1.00 0.00 H new ATOM 587 N ASP A 43 2.853 24.191 -2.119 1.00 0.00 N ATOM 588 CA ASP A 43 1.466 23.837 -2.398 1.00 0.00 C ATOM 589 C ASP A 43 1.207 22.367 -2.083 1.00 0.00 C ATOM 590 O ASP A 43 2.118 21.632 -1.702 1.00 0.00 O ATOM 591 CB ASP A 43 1.128 24.125 -3.861 1.00 0.00 C ATOM 592 CG ASP A 43 -0.343 24.433 -4.066 1.00 0.00 C ATOM 593 OD1 ASP A 43 -0.783 25.528 -3.656 1.00 0.00 O ATOM 594 OD2 ASP A 43 -1.053 23.580 -4.637 1.00 0.00 O ATOM 0 H ASP A 43 3.541 23.570 -2.546 1.00 0.00 H new ATOM 0 HA ASP A 43 0.826 24.445 -1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.725 24.968 -4.210 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.405 23.265 -4.471 1.00 0.00 H new ATOM 599 N LYS A 44 -0.043 21.944 -2.243 1.00 0.00 N ATOM 600 CA LYS A 44 -0.424 20.562 -1.977 1.00 0.00 C ATOM 601 C LYS A 44 0.361 19.601 -2.864 1.00 0.00 C ATOM 602 O LYS A 44 0.321 19.678 -4.092 1.00 0.00 O ATOM 603 CB LYS A 44 -1.925 20.372 -2.204 1.00 0.00 C ATOM 604 CG LYS A 44 -2.480 19.107 -1.574 1.00 0.00 C ATOM 605 CD LYS A 44 -3.788 18.687 -2.224 1.00 0.00 C ATOM 606 CE LYS A 44 -4.684 17.944 -1.245 1.00 0.00 C ATOM 607 NZ LYS A 44 -5.148 18.825 -0.139 1.00 0.00 N ATOM 0 H LYS A 44 -0.810 22.539 -2.556 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.190 20.341 -0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.457 21.233 -1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.122 20.351 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.751 18.302 -1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.638 19.270 -0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.309 19.568 -2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.580 18.050 -3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.547 17.542 -1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.142 17.095 -0.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.050 18.467 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.437 18.833 0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.282 19.792 -0.498 1.00 0.00 H new ATOM 621 N PRO A 45 1.092 18.672 -2.230 1.00 0.00 N ATOM 622 CA PRO A 45 1.898 17.676 -2.942 1.00 0.00 C ATOM 623 C PRO A 45 1.039 16.646 -3.668 1.00 0.00 C ATOM 624 O PRO A 45 -0.134 16.461 -3.343 1.00 0.00 O ATOM 625 CB PRO A 45 2.706 17.009 -1.826 1.00 0.00 C ATOM 626 CG PRO A 45 1.884 17.200 -0.598 1.00 0.00 C ATOM 627 CD PRO A 45 1.187 18.521 -0.768 1.00 0.00 C ATOM 0 HA PRO A 45 2.513 18.130 -3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.869 15.951 -2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.689 17.468 -1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.163 16.391 -0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.510 17.201 0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.203 18.519 -0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.754 19.335 -0.316 1.00 0.00 H new ATOM 635 N THR A 46 1.630 15.977 -4.652 1.00 0.00 N ATOM 636 CA THR A 46 0.919 14.965 -5.424 1.00 0.00 C ATOM 637 C THR A 46 1.415 13.565 -5.084 1.00 0.00 C ATOM 638 O THR A 46 2.559 13.213 -5.374 1.00 0.00 O ATOM 639 CB THR A 46 1.077 15.200 -6.938 1.00 0.00 C ATOM 640 OG1 THR A 46 0.535 16.476 -7.295 1.00 0.00 O ATOM 641 CG2 THR A 46 0.379 14.106 -7.731 1.00 0.00 C ATOM 0 H THR A 46 2.600 16.118 -4.934 1.00 0.00 H new ATOM 0 HA THR A 46 -0.135 15.048 -5.159 1.00 0.00 H new ATOM 0 HB THR A 46 2.140 15.178 -7.178 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.641 16.618 -8.259 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.504 14.293 -8.797 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.815 13.139 -7.479 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.683 14.100 -7.486 1.00 0.00 H new ATOM 649 N ILE A 47 0.547 12.768 -4.468 1.00 0.00 N ATOM 650 CA ILE A 47 0.898 11.405 -4.090 1.00 0.00 C ATOM 651 C ILE A 47 0.528 10.417 -5.192 1.00 0.00 C ATOM 652 O ILE A 47 -0.643 10.270 -5.542 1.00 0.00 O ATOM 653 CB ILE A 47 0.198 10.985 -2.784 1.00 0.00 C ATOM 654 CG1 ILE A 47 0.851 11.676 -1.585 1.00 0.00 C ATOM 655 CG2 ILE A 47 0.244 9.473 -2.621 1.00 0.00 C ATOM 656 CD1 ILE A 47 0.423 13.116 -1.411 1.00 0.00 C ATOM 0 H ILE A 47 -0.404 13.043 -4.221 1.00 0.00 H new ATOM 0 HA ILE A 47 1.977 11.388 -3.936 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.846 11.294 -2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.607 11.121 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.934 11.639 -1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.255 9.192 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.262 9.001 -3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.282 9.142 -2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.925 13.542 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.691 13.685 -2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.656 13.160 -1.264 1.00 0.00 H new ATOM 668 N LYS A 48 1.535 9.740 -5.734 1.00 0.00 N ATOM 669 CA LYS A 48 1.317 8.763 -6.794 1.00 0.00 C ATOM 670 C LYS A 48 2.174 7.521 -6.574 1.00 0.00 C ATOM 671 O LYS A 48 3.391 7.616 -6.411 1.00 0.00 O ATOM 672 CB LYS A 48 1.636 9.380 -8.158 1.00 0.00 C ATOM 673 CG LYS A 48 0.730 10.543 -8.527 1.00 0.00 C ATOM 674 CD LYS A 48 1.156 11.189 -9.834 1.00 0.00 C ATOM 675 CE LYS A 48 2.520 11.851 -9.710 1.00 0.00 C ATOM 676 NZ LYS A 48 2.721 12.905 -10.743 1.00 0.00 N ATOM 0 H LYS A 48 2.510 9.850 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 48 0.268 8.468 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.671 9.722 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.554 8.609 -8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.298 10.191 -8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.748 11.286 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.186 10.435 -10.621 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.416 11.931 -10.132 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.621 12.291 -8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.300 11.096 -9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.641 12.765 -11.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.963 12.845 -11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.700 13.842 -10.292 1.00 0.00 H new ATOM 690 N TRP A 49 1.533 6.358 -6.571 1.00 0.00 N ATOM 691 CA TRP A 49 2.238 5.097 -6.372 1.00 0.00 C ATOM 692 C TRP A 49 2.506 4.407 -7.705 1.00 0.00 C ATOM 693 O TRP A 49 1.585 4.160 -8.484 1.00 0.00 O ATOM 694 CB TRP A 49 1.427 4.175 -5.460 1.00 0.00 C ATOM 695 CG TRP A 49 1.136 4.773 -4.118 1.00 0.00 C ATOM 696 CD1 TRP A 49 0.059 5.542 -3.779 1.00 0.00 C ATOM 697 CD2 TRP A 49 1.933 4.654 -2.935 1.00 0.00 C ATOM 698 NE1 TRP A 49 0.139 5.908 -2.457 1.00 0.00 N ATOM 699 CE2 TRP A 49 1.279 5.375 -1.917 1.00 0.00 C ATOM 700 CE3 TRP A 49 3.135 4.007 -2.636 1.00 0.00 C ATOM 701 CZ2 TRP A 49 1.789 5.466 -0.624 1.00 0.00 C ATOM 702 CZ3 TRP A 49 3.640 4.099 -1.352 1.00 0.00 C ATOM 703 CH2 TRP A 49 2.967 4.823 -0.359 1.00 0.00 C ATOM 0 H TRP A 49 0.526 6.262 -6.704 1.00 0.00 H new ATOM 0 HA TRP A 49 3.195 5.315 -5.898 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.486 3.927 -5.951 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.971 3.241 -5.323 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.739 5.821 -4.452 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.540 6.483 -1.959 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.660 3.445 -3.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.272 6.025 0.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 4.569 3.604 -1.110 1.00 0.00 H new ATOM 0 HH2 TRP A 49 3.386 4.874 0.635 1.00 0.00 H new ATOM 714 N PHE A 50 3.772 4.098 -7.962 1.00 0.00 N ATOM 715 CA PHE A 50 4.161 3.436 -9.202 1.00 0.00 C ATOM 716 C PHE A 50 4.801 2.080 -8.918 1.00 0.00 C ATOM 717 O PHE A 50 5.292 1.831 -7.817 1.00 0.00 O ATOM 718 CB PHE A 50 5.134 4.316 -9.991 1.00 0.00 C ATOM 719 CG PHE A 50 4.538 5.623 -10.431 1.00 0.00 C ATOM 720 CD1 PHE A 50 3.567 5.659 -11.419 1.00 0.00 C ATOM 721 CD2 PHE A 50 4.948 6.815 -9.856 1.00 0.00 C ATOM 722 CE1 PHE A 50 3.018 6.860 -11.826 1.00 0.00 C ATOM 723 CE2 PHE A 50 4.403 8.019 -10.259 1.00 0.00 C ATOM 724 CZ PHE A 50 3.435 8.042 -11.244 1.00 0.00 C ATOM 0 H PHE A 50 4.547 4.295 -7.328 1.00 0.00 H new ATOM 0 HA PHE A 50 3.261 3.276 -9.796 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.012 4.515 -9.376 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.477 3.768 -10.869 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.236 4.738 -11.876 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.703 6.803 -9.084 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.263 6.875 -12.599 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.734 8.941 -9.804 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.005 8.981 -11.559 1.00 0.00 H new ATOM 734 N LYS A 51 4.790 1.207 -9.919 1.00 0.00 N ATOM 735 CA LYS A 51 5.369 -0.124 -9.780 1.00 0.00 C ATOM 736 C LYS A 51 6.468 -0.351 -10.813 1.00 0.00 C ATOM 737 O LYS A 51 6.225 -0.287 -12.017 1.00 0.00 O ATOM 738 CB LYS A 51 4.284 -1.193 -9.932 1.00 0.00 C ATOM 739 CG LYS A 51 4.759 -2.594 -9.590 1.00 0.00 C ATOM 740 CD LYS A 51 3.709 -3.638 -9.933 1.00 0.00 C ATOM 741 CE LYS A 51 4.127 -5.024 -9.466 1.00 0.00 C ATOM 742 NZ LYS A 51 3.574 -6.095 -10.340 1.00 0.00 N ATOM 0 H LYS A 51 4.386 1.397 -10.836 1.00 0.00 H new ATOM 0 HA LYS A 51 5.809 -0.199 -8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.441 -0.937 -9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.917 -1.183 -10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.679 -2.810 -10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.995 -2.650 -8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.760 -3.367 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.545 -3.650 -11.011 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.215 -5.090 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.787 -5.180 -8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.050 -6.995 -10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.554 -6.194 -10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.731 -5.845 -11.337 1.00 0.00 H new ATOM 756 N GLY A 52 7.680 -0.616 -10.333 1.00 0.00 N ATOM 757 CA GLY A 52 8.798 -0.849 -11.228 1.00 0.00 C ATOM 758 C GLY A 52 8.719 -0.006 -12.485 1.00 0.00 C ATOM 759 O GLY A 52 9.036 1.184 -12.465 1.00 0.00 O ATOM 0 H GLY A 52 7.907 -0.673 -9.340 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.729 -0.631 -10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.826 -1.904 -11.502 1.00 0.00 H new ATOM 763 N LYS A 53 8.297 -0.622 -13.584 1.00 0.00 N ATOM 764 CA LYS A 53 8.178 0.079 -14.857 1.00 0.00 C ATOM 765 C LYS A 53 7.248 1.281 -14.732 1.00 0.00 C ATOM 766 O LYS A 53 6.797 1.617 -13.637 1.00 0.00 O ATOM 767 CB LYS A 53 7.660 -0.871 -15.939 1.00 0.00 C ATOM 768 CG LYS A 53 6.162 -1.115 -15.867 1.00 0.00 C ATOM 769 CD LYS A 53 5.611 -1.597 -17.198 1.00 0.00 C ATOM 770 CE LYS A 53 6.027 -3.031 -17.487 1.00 0.00 C ATOM 771 NZ LYS A 53 5.036 -4.012 -16.965 1.00 0.00 N ATOM 0 H LYS A 53 8.031 -1.606 -13.619 1.00 0.00 H new ATOM 0 HA LYS A 53 9.168 0.437 -15.140 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.906 -0.462 -16.919 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.180 -1.825 -15.852 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.950 -1.855 -15.095 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.656 -0.195 -15.575 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.523 -1.527 -17.189 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.966 -0.946 -17.997 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.140 -3.167 -18.563 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.001 -3.224 -17.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.356 -4.978 -17.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.946 -3.900 -15.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.113 -3.844 -17.413 1.00 0.00 H new ATOM 785 N TRP A 54 6.963 1.923 -15.859 1.00 0.00 N ATOM 786 CA TRP A 54 6.084 3.087 -15.874 1.00 0.00 C ATOM 787 C TRP A 54 4.625 2.668 -15.736 1.00 0.00 C ATOM 788 O TRP A 54 3.761 3.137 -16.478 1.00 0.00 O ATOM 789 CB TRP A 54 6.279 3.881 -17.167 1.00 0.00 C ATOM 790 CG TRP A 54 6.381 3.016 -18.386 1.00 0.00 C ATOM 791 CD1 TRP A 54 5.432 2.157 -18.863 1.00 0.00 C ATOM 792 CD2 TRP A 54 7.494 2.925 -19.282 1.00 0.00 C ATOM 793 NE1 TRP A 54 5.888 1.538 -20.002 1.00 0.00 N ATOM 794 CE2 TRP A 54 7.150 1.993 -20.280 1.00 0.00 C ATOM 795 CE3 TRP A 54 8.746 3.543 -19.340 1.00 0.00 C ATOM 796 CZ2 TRP A 54 8.015 1.663 -21.321 1.00 0.00 C ATOM 797 CZ3 TRP A 54 9.603 3.214 -20.373 1.00 0.00 C ATOM 798 CH2 TRP A 54 9.235 2.283 -21.352 1.00 0.00 C ATOM 0 H TRP A 54 7.327 1.658 -16.774 1.00 0.00 H new ATOM 0 HA TRP A 54 6.343 3.719 -15.025 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.445 4.572 -17.290 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.183 4.484 -17.082 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.465 1.989 -18.411 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.371 0.851 -20.551 1.00 0.00 H new ATOM 0 HE3 TRP A 54 9.038 4.264 -18.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 7.733 0.944 -22.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.574 3.683 -20.426 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.927 2.049 -22.147 1.00 0.00 H new ATOM 809 N LEU A 55 4.355 1.784 -14.781 1.00 0.00 N ATOM 810 CA LEU A 55 2.998 1.303 -14.545 1.00 0.00 C ATOM 811 C LEU A 55 2.167 2.353 -13.816 1.00 0.00 C ATOM 812 O LEU A 55 2.629 3.469 -13.579 1.00 0.00 O ATOM 813 CB LEU A 55 3.030 0.007 -13.733 1.00 0.00 C ATOM 814 CG LEU A 55 3.118 -1.289 -14.540 1.00 0.00 C ATOM 815 CD1 LEU A 55 3.623 -2.428 -13.668 1.00 0.00 C ATOM 816 CD2 LEU A 55 1.764 -1.635 -15.142 1.00 0.00 C ATOM 0 H LEU A 55 5.058 1.386 -14.158 1.00 0.00 H new ATOM 0 HA LEU A 55 2.535 1.108 -15.512 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.882 0.048 -13.055 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.133 -0.033 -13.115 1.00 0.00 H new ATOM 0 HG LEU A 55 3.828 -1.140 -15.354 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.679 -3.342 -14.260 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.614 -2.182 -13.286 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.939 -2.578 -12.833 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.845 -2.560 -15.713 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.033 -1.764 -14.344 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.442 -0.829 -15.801 1.00 0.00 H new ATOM 828 N GLU A 56 0.939 1.987 -13.460 1.00 0.00 N ATOM 829 CA GLU A 56 0.045 2.898 -12.756 1.00 0.00 C ATOM 830 C GLU A 56 -0.883 2.133 -11.818 1.00 0.00 C ATOM 831 O GLU A 56 -1.715 1.338 -12.260 1.00 0.00 O ATOM 832 CB GLU A 56 -0.780 3.712 -13.755 1.00 0.00 C ATOM 833 CG GLU A 56 -1.905 4.506 -13.112 1.00 0.00 C ATOM 834 CD GLU A 56 -2.902 5.032 -14.127 1.00 0.00 C ATOM 835 OE1 GLU A 56 -3.476 4.211 -14.873 1.00 0.00 O ATOM 836 OE2 GLU A 56 -3.108 6.262 -14.175 1.00 0.00 O ATOM 0 H GLU A 56 0.541 1.067 -13.648 1.00 0.00 H new ATOM 0 HA GLU A 56 0.655 3.577 -12.161 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.119 4.398 -14.285 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.202 3.037 -14.500 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.425 3.874 -12.391 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.482 5.343 -12.556 1.00 0.00 H new ATOM 843 N LEU A 57 -0.736 2.376 -10.520 1.00 0.00 N ATOM 844 CA LEU A 57 -1.560 1.710 -9.518 1.00 0.00 C ATOM 845 C LEU A 57 -2.823 2.515 -9.229 1.00 0.00 C ATOM 846 O LEU A 57 -2.937 3.674 -9.625 1.00 0.00 O ATOM 847 CB LEU A 57 -0.764 1.508 -8.227 1.00 0.00 C ATOM 848 CG LEU A 57 0.675 1.020 -8.395 1.00 0.00 C ATOM 849 CD1 LEU A 57 1.464 1.230 -7.112 1.00 0.00 C ATOM 850 CD2 LEU A 57 0.696 -0.446 -8.802 1.00 0.00 C ATOM 0 H LEU A 57 -0.053 3.030 -10.137 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.854 0.737 -9.913 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.745 2.453 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.299 0.792 -7.602 1.00 0.00 H new ATOM 0 HG LEU A 57 1.146 1.604 -9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.486 0.877 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.478 2.291 -6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.995 0.673 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.728 -0.777 -8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.207 -1.044 -8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.168 -0.569 -9.748 1.00 0.00 H new ATOM 862 N GLY A 58 -3.770 1.891 -8.535 1.00 0.00 N ATOM 863 CA GLY A 58 -5.012 2.565 -8.203 1.00 0.00 C ATOM 864 C GLY A 58 -5.789 2.988 -9.434 1.00 0.00 C ATOM 865 O GLY A 58 -6.016 4.177 -9.655 1.00 0.00 O ATOM 0 H GLY A 58 -3.699 0.931 -8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.630 1.903 -7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.794 3.443 -7.595 1.00 0.00 H new ATOM 869 N SER A 59 -6.196 2.012 -10.239 1.00 0.00 N ATOM 870 CA SER A 59 -6.947 2.289 -11.458 1.00 0.00 C ATOM 871 C SER A 59 -8.369 2.735 -11.130 1.00 0.00 C ATOM 872 O SER A 59 -8.861 3.727 -11.668 1.00 0.00 O ATOM 873 CB SER A 59 -6.983 1.050 -12.354 1.00 0.00 C ATOM 874 OG SER A 59 -7.283 1.398 -13.695 1.00 0.00 O ATOM 0 H SER A 59 -6.018 1.022 -10.069 1.00 0.00 H new ATOM 0 HA SER A 59 -6.444 3.097 -11.989 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.020 0.541 -12.314 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.730 0.349 -11.981 1.00 0.00 H new ATOM 0 HG SER A 59 -7.298 0.589 -14.247 1.00 0.00 H new ATOM 880 N LYS A 60 -9.025 1.993 -10.244 1.00 0.00 N ATOM 881 CA LYS A 60 -10.390 2.310 -9.841 1.00 0.00 C ATOM 882 C LYS A 60 -10.530 2.280 -8.323 1.00 0.00 C ATOM 883 O LYS A 60 -9.724 1.661 -7.627 1.00 0.00 O ATOM 884 CB LYS A 60 -11.372 1.322 -10.474 1.00 0.00 C ATOM 885 CG LYS A 60 -12.753 1.908 -10.715 1.00 0.00 C ATOM 886 CD LYS A 60 -12.767 2.823 -11.928 1.00 0.00 C ATOM 887 CE LYS A 60 -12.897 2.032 -13.221 1.00 0.00 C ATOM 888 NZ LYS A 60 -11.586 1.489 -13.674 1.00 0.00 N ATOM 0 H LYS A 60 -8.633 1.167 -9.791 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.621 3.317 -10.189 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.963 0.974 -11.423 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.464 0.449 -9.827 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.472 1.101 -10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.071 2.465 -9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.596 3.526 -11.845 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.850 3.412 -11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.599 1.211 -13.075 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.313 2.673 -13.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.512 1.577 -14.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.815 2.023 -13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.514 0.487 -13.406 1.00 0.00 H new ATOM 902 N SER A 61 -11.558 2.952 -7.814 1.00 0.00 N ATOM 903 CA SER A 61 -11.803 3.004 -6.378 1.00 0.00 C ATOM 904 C SER A 61 -12.548 1.758 -5.908 1.00 0.00 C ATOM 905 O SER A 61 -13.660 1.846 -5.388 1.00 0.00 O ATOM 906 CB SER A 61 -12.604 4.257 -6.020 1.00 0.00 C ATOM 907 OG SER A 61 -12.524 4.535 -4.633 1.00 0.00 O ATOM 0 H SER A 61 -12.235 3.468 -8.376 1.00 0.00 H new ATOM 0 HA SER A 61 -10.839 3.042 -5.872 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.226 5.108 -6.587 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.647 4.120 -6.307 1.00 0.00 H new ATOM 0 HG SER A 61 -13.043 5.341 -4.431 1.00 0.00 H new ATOM 913 N GLY A 62 -11.927 0.598 -6.096 1.00 0.00 N ATOM 914 CA GLY A 62 -12.545 -0.650 -5.687 1.00 0.00 C ATOM 915 C GLY A 62 -11.698 -1.858 -6.035 1.00 0.00 C ATOM 916 O GLY A 62 -12.216 -2.873 -6.499 1.00 0.00 O ATOM 0 H GLY A 62 -11.007 0.500 -6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.719 -0.630 -4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -13.520 -0.743 -6.166 1.00 0.00 H new ATOM 920 N ALA A 63 -10.393 -1.748 -5.812 1.00 0.00 N ATOM 921 CA ALA A 63 -9.473 -2.840 -6.106 1.00 0.00 C ATOM 922 C ALA A 63 -8.559 -3.122 -4.918 1.00 0.00 C ATOM 923 O ALA A 63 -8.369 -2.267 -4.053 1.00 0.00 O ATOM 924 CB ALA A 63 -8.650 -2.518 -7.344 1.00 0.00 C ATOM 0 H ALA A 63 -9.949 -0.914 -5.429 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.062 -3.737 -6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.967 -3.342 -7.552 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.315 -2.374 -8.196 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.077 -1.607 -7.173 1.00 0.00 H new ATOM 930 N ARG A 64 -7.995 -4.325 -4.883 1.00 0.00 N ATOM 931 CA ARG A 64 -7.102 -4.719 -3.800 1.00 0.00 C ATOM 932 C ARG A 64 -6.211 -3.554 -3.379 1.00 0.00 C ATOM 933 O ARG A 64 -5.895 -3.396 -2.200 1.00 0.00 O ATOM 934 CB ARG A 64 -6.239 -5.907 -4.230 1.00 0.00 C ATOM 935 CG ARG A 64 -5.305 -5.593 -5.387 1.00 0.00 C ATOM 936 CD ARG A 64 -4.377 -6.760 -5.686 1.00 0.00 C ATOM 937 NE ARG A 64 -3.889 -6.733 -7.062 1.00 0.00 N ATOM 938 CZ ARG A 64 -3.007 -7.601 -7.547 1.00 0.00 C ATOM 939 NH1 ARG A 64 -2.520 -8.559 -6.771 1.00 0.00 N ATOM 940 NH2 ARG A 64 -2.612 -7.511 -8.810 1.00 0.00 N ATOM 0 H ARG A 64 -8.141 -5.044 -5.592 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.713 -5.013 -2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.648 -6.243 -3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.890 -6.734 -4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.891 -5.356 -6.275 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.714 -4.708 -5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.530 -6.734 -5.000 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.904 -7.697 -5.507 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.245 -6.008 -7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.822 -8.631 -5.799 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.843 -9.224 -7.145 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.985 -6.775 -9.410 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.935 -8.178 -9.181 1.00 0.00 H new ATOM 954 N PHE A 65 -5.809 -2.742 -4.351 1.00 0.00 N ATOM 955 CA PHE A 65 -4.953 -1.593 -4.082 1.00 0.00 C ATOM 956 C PHE A 65 -5.738 -0.479 -3.396 1.00 0.00 C ATOM 957 O PHE A 65 -6.607 0.148 -4.004 1.00 0.00 O ATOM 958 CB PHE A 65 -4.337 -1.073 -5.382 1.00 0.00 C ATOM 959 CG PHE A 65 -3.248 -1.953 -5.925 1.00 0.00 C ATOM 960 CD1 PHE A 65 -1.964 -1.886 -5.409 1.00 0.00 C ATOM 961 CD2 PHE A 65 -3.508 -2.848 -6.950 1.00 0.00 C ATOM 962 CE1 PHE A 65 -0.959 -2.696 -5.905 1.00 0.00 C ATOM 963 CE2 PHE A 65 -2.508 -3.660 -7.450 1.00 0.00 C ATOM 964 CZ PHE A 65 -1.232 -3.583 -6.928 1.00 0.00 C ATOM 0 H PHE A 65 -6.062 -2.859 -5.332 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.154 -1.915 -3.414 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.122 -0.975 -6.132 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.934 -0.075 -5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.745 -1.193 -4.610 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.504 -2.912 -7.363 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.038 -2.635 -5.493 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.724 -4.354 -8.248 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.449 -4.215 -7.319 1.00 0.00 H new ATOM 974 N SER A 66 -5.427 -0.238 -2.127 1.00 0.00 N ATOM 975 CA SER A 66 -6.106 0.797 -1.356 1.00 0.00 C ATOM 976 C SER A 66 -5.141 1.920 -0.987 1.00 0.00 C ATOM 977 O SER A 66 -3.935 1.705 -0.870 1.00 0.00 O ATOM 978 CB SER A 66 -6.719 0.199 -0.088 1.00 0.00 C ATOM 979 OG SER A 66 -8.003 -0.341 -0.349 1.00 0.00 O ATOM 0 H SER A 66 -4.709 -0.746 -1.610 1.00 0.00 H new ATOM 0 HA SER A 66 -6.902 1.213 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.065 -0.581 0.303 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.794 0.968 0.681 1.00 0.00 H new ATOM 0 HG SER A 66 -8.373 -0.719 0.476 1.00 0.00 H new ATOM 985 N PHE A 67 -5.682 3.120 -0.805 1.00 0.00 N ATOM 986 CA PHE A 67 -4.871 4.279 -0.450 1.00 0.00 C ATOM 987 C PHE A 67 -5.513 5.065 0.689 1.00 0.00 C ATOM 988 O PHE A 67 -6.690 5.423 0.626 1.00 0.00 O ATOM 989 CB PHE A 67 -4.680 5.187 -1.667 1.00 0.00 C ATOM 990 CG PHE A 67 -4.340 4.439 -2.925 1.00 0.00 C ATOM 991 CD1 PHE A 67 -3.022 4.152 -3.241 1.00 0.00 C ATOM 992 CD2 PHE A 67 -5.338 4.024 -3.791 1.00 0.00 C ATOM 993 CE1 PHE A 67 -2.706 3.466 -4.398 1.00 0.00 C ATOM 994 CE2 PHE A 67 -5.029 3.337 -4.949 1.00 0.00 C ATOM 995 CZ PHE A 67 -3.711 3.056 -5.253 1.00 0.00 C ATOM 0 H PHE A 67 -6.679 3.315 -0.897 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.897 3.920 -0.116 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.593 5.760 -1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.887 5.904 -1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.232 4.468 -2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.370 4.240 -3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.674 3.250 -4.634 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -5.817 3.020 -5.616 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.467 2.517 -6.157 1.00 0.00 H new ATOM 1005 N LYS A 68 -4.733 5.330 1.731 1.00 0.00 N ATOM 1006 CA LYS A 68 -5.223 6.073 2.886 1.00 0.00 C ATOM 1007 C LYS A 68 -4.395 7.334 3.112 1.00 0.00 C ATOM 1008 O LYS A 68 -3.243 7.262 3.540 1.00 0.00 O ATOM 1009 CB LYS A 68 -5.186 5.194 4.138 1.00 0.00 C ATOM 1010 CG LYS A 68 -6.188 4.053 4.109 1.00 0.00 C ATOM 1011 CD LYS A 68 -7.585 4.528 4.472 1.00 0.00 C ATOM 1012 CE LYS A 68 -7.725 4.757 5.969 1.00 0.00 C ATOM 1013 NZ LYS A 68 -8.012 3.492 6.699 1.00 0.00 N ATOM 0 H LYS A 68 -3.757 5.041 1.800 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.254 6.367 2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.183 4.783 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.379 5.814 5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.202 3.605 3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.875 3.275 4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.806 5.453 3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.318 3.790 4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.807 5.199 6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.526 5.473 6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.100 3.690 7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.901 3.082 6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.235 2.818 6.544 1.00 0.00 H new ATOM 1027 N GLU A 69 -4.990 8.488 2.824 1.00 0.00 N ATOM 1028 CA GLU A 69 -4.306 9.764 2.998 1.00 0.00 C ATOM 1029 C GLU A 69 -5.072 10.665 3.962 1.00 0.00 C ATOM 1030 O GLU A 69 -6.241 10.980 3.737 1.00 0.00 O ATOM 1031 CB GLU A 69 -4.140 10.466 1.649 1.00 0.00 C ATOM 1032 CG GLU A 69 -3.583 11.875 1.761 1.00 0.00 C ATOM 1033 CD GLU A 69 -3.707 12.656 0.467 1.00 0.00 C ATOM 1034 OE1 GLU A 69 -3.071 12.255 -0.531 1.00 0.00 O ATOM 1035 OE2 GLU A 69 -4.438 13.668 0.452 1.00 0.00 O ATOM 0 H GLU A 69 -5.943 8.565 2.470 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.321 9.565 3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.478 9.872 1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.107 10.505 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.108 12.407 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.534 11.825 2.052 1.00 0.00 H new ATOM 1042 N SER A 70 -4.405 11.075 5.036 1.00 0.00 N ATOM 1043 CA SER A 70 -5.024 11.936 6.037 1.00 0.00 C ATOM 1044 C SER A 70 -4.204 13.206 6.242 1.00 0.00 C ATOM 1045 O SER A 70 -2.980 13.155 6.368 1.00 0.00 O ATOM 1046 CB SER A 70 -5.168 11.189 7.364 1.00 0.00 C ATOM 1047 OG SER A 70 -5.771 12.010 8.349 1.00 0.00 O ATOM 0 H SER A 70 -3.436 10.825 5.235 1.00 0.00 H new ATOM 0 HA SER A 70 -6.014 12.217 5.677 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.769 10.292 7.216 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.187 10.862 7.709 1.00 0.00 H new ATOM 0 HG SER A 70 -5.853 11.509 9.187 1.00 0.00 H new ATOM 1053 N HIS A 71 -4.888 14.346 6.275 1.00 0.00 N ATOM 1054 CA HIS A 71 -4.224 15.630 6.466 1.00 0.00 C ATOM 1055 C HIS A 71 -4.552 16.213 7.837 1.00 0.00 C ATOM 1056 O HIS A 71 -5.719 16.373 8.191 1.00 0.00 O ATOM 1057 CB HIS A 71 -4.640 16.611 5.369 1.00 0.00 C ATOM 1058 CG HIS A 71 -5.856 17.415 5.714 1.00 0.00 C ATOM 1059 ND1 HIS A 71 -5.794 18.721 6.154 1.00 0.00 N ATOM 1060 CD2 HIS A 71 -7.170 17.093 5.680 1.00 0.00 C ATOM 1061 CE1 HIS A 71 -7.018 19.166 6.378 1.00 0.00 C ATOM 1062 NE2 HIS A 71 -7.871 18.197 6.098 1.00 0.00 N ATOM 0 H HIS A 71 -5.901 14.406 6.172 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.148 15.467 6.408 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.811 17.290 5.166 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.830 16.056 4.450 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.589 16.144 5.380 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.277 20.154 6.730 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.886 18.259 6.179 1.00 0.00 H new ATOM 1071 N ASN A 72 -3.514 16.528 8.605 1.00 0.00 N ATOM 1072 CA ASN A 72 -3.692 17.092 9.938 1.00 0.00 C ATOM 1073 C ASN A 72 -3.902 18.602 9.866 1.00 0.00 C ATOM 1074 O ASN A 72 -3.406 19.265 8.956 1.00 0.00 O ATOM 1075 CB ASN A 72 -2.479 16.776 10.814 1.00 0.00 C ATOM 1076 CG ASN A 72 -2.570 15.404 11.455 1.00 0.00 C ATOM 1077 OD1 ASN A 72 -2.759 15.284 12.665 1.00 0.00 O ATOM 1078 ND2 ASN A 72 -2.435 14.362 10.643 1.00 0.00 N ATOM 0 H ASN A 72 -2.541 16.402 8.327 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.579 16.640 10.381 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.573 16.832 10.210 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.390 17.533 11.593 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.487 13.414 11.017 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.280 14.509 9.646 1.00 0.00 H new ATOM 1085 N SER A 73 -4.640 19.137 10.833 1.00 0.00 N ATOM 1086 CA SER A 73 -4.919 20.568 10.879 1.00 0.00 C ATOM 1087 C SER A 73 -3.801 21.317 11.597 1.00 0.00 C ATOM 1088 O SER A 73 -3.351 22.368 11.143 1.00 0.00 O ATOM 1089 CB SER A 73 -6.254 20.827 11.579 1.00 0.00 C ATOM 1090 OG SER A 73 -6.172 20.525 12.961 1.00 0.00 O ATOM 0 H SER A 73 -5.056 18.602 11.595 1.00 0.00 H new ATOM 0 HA SER A 73 -4.978 20.934 9.854 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.541 21.870 11.448 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.034 20.222 11.117 1.00 0.00 H new ATOM 0 HG SER A 73 -7.037 20.701 13.386 1.00 0.00 H new ATOM 1096 N ALA A 74 -3.357 20.767 12.723 1.00 0.00 N ATOM 1097 CA ALA A 74 -2.291 21.380 13.505 1.00 0.00 C ATOM 1098 C ALA A 74 -0.920 20.944 13.000 1.00 0.00 C ATOM 1099 O ALA A 74 -0.046 21.775 12.752 1.00 0.00 O ATOM 1100 CB ALA A 74 -2.449 21.032 14.977 1.00 0.00 C ATOM 0 H ALA A 74 -3.720 19.897 13.114 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.365 22.461 13.389 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.646 21.497 15.549 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.410 21.399 15.337 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.404 19.950 15.102 1.00 0.00 H new ATOM 1106 N SER A 75 -0.738 19.636 12.850 1.00 0.00 N ATOM 1107 CA SER A 75 0.529 19.090 12.378 1.00 0.00 C ATOM 1108 C SER A 75 0.822 19.549 10.953 1.00 0.00 C ATOM 1109 O SER A 75 1.924 20.006 10.651 1.00 0.00 O ATOM 1110 CB SER A 75 0.503 17.561 12.438 1.00 0.00 C ATOM 1111 OG SER A 75 0.108 17.108 13.721 1.00 0.00 O ATOM 0 H SER A 75 -1.452 18.935 13.048 1.00 0.00 H new ATOM 0 HA SER A 75 1.321 19.459 13.030 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.185 17.176 11.685 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.491 17.168 12.198 1.00 0.00 H new ATOM 0 HG SER A 75 0.098 16.128 13.733 1.00 0.00 H new ATOM 1117 N ASN A 76 -0.173 19.423 10.081 1.00 0.00 N ATOM 1118 CA ASN A 76 -0.022 19.825 8.687 1.00 0.00 C ATOM 1119 C ASN A 76 0.827 18.817 7.919 1.00 0.00 C ATOM 1120 O ASN A 76 1.591 19.184 7.026 1.00 0.00 O ATOM 1121 CB ASN A 76 0.612 21.214 8.600 1.00 0.00 C ATOM 1122 CG ASN A 76 0.228 21.947 7.329 1.00 0.00 C ATOM 1123 OD1 ASN A 76 -0.370 21.368 6.423 1.00 0.00 O ATOM 1124 ND2 ASN A 76 0.572 23.227 7.258 1.00 0.00 N ATOM 0 H ASN A 76 -1.092 19.046 10.315 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.013 19.857 8.235 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.306 21.805 9.463 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.697 21.119 8.647 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.341 23.772 6.427 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.067 23.666 8.034 1.00 0.00 H new ATOM 1131 N VAL A 77 0.689 17.543 8.273 1.00 0.00 N ATOM 1132 CA VAL A 77 1.441 16.481 7.617 1.00 0.00 C ATOM 1133 C VAL A 77 0.509 15.490 6.929 1.00 0.00 C ATOM 1134 O VAL A 77 -0.483 15.049 7.511 1.00 0.00 O ATOM 1135 CB VAL A 77 2.331 15.721 8.619 1.00 0.00 C ATOM 1136 CG1 VAL A 77 1.507 15.235 9.803 1.00 0.00 C ATOM 1137 CG2 VAL A 77 3.032 14.558 7.934 1.00 0.00 C ATOM 0 H VAL A 77 0.063 17.222 9.011 1.00 0.00 H new ATOM 0 HA VAL A 77 2.074 16.959 6.869 1.00 0.00 H new ATOM 0 HB VAL A 77 3.093 16.405 8.993 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.152 14.700 10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.056 16.089 10.308 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.722 14.567 9.450 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.656 14.033 8.657 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.288 13.871 7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.655 14.935 7.123 1.00 0.00 H new ATOM 1147 N TYR A 78 0.834 15.143 5.689 1.00 0.00 N ATOM 1148 CA TYR A 78 0.024 14.205 4.921 1.00 0.00 C ATOM 1149 C TYR A 78 0.534 12.777 5.092 1.00 0.00 C ATOM 1150 O TYR A 78 1.591 12.416 4.574 1.00 0.00 O ATOM 1151 CB TYR A 78 0.031 14.587 3.440 1.00 0.00 C ATOM 1152 CG TYR A 78 -0.547 15.956 3.165 1.00 0.00 C ATOM 1153 CD1 TYR A 78 0.158 17.108 3.490 1.00 0.00 C ATOM 1154 CD2 TYR A 78 -1.798 16.098 2.577 1.00 0.00 C ATOM 1155 CE1 TYR A 78 -0.367 18.362 3.242 1.00 0.00 C ATOM 1156 CE2 TYR A 78 -2.331 17.348 2.323 1.00 0.00 C ATOM 1157 CZ TYR A 78 -1.611 18.476 2.658 1.00 0.00 C ATOM 1158 OH TYR A 78 -2.137 19.723 2.407 1.00 0.00 O ATOM 0 H TYR A 78 1.653 15.497 5.194 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.998 14.254 5.297 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.056 14.553 3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.535 13.843 2.879 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.134 17.022 3.945 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.364 15.216 2.314 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.193 19.247 3.504 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.305 17.441 1.865 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.020 19.628 1.992 1.00 0.00 H new ATOM 1168 N THR A 79 -0.226 11.968 5.823 1.00 0.00 N ATOM 1169 CA THR A 79 0.147 10.580 6.064 1.00 0.00 C ATOM 1170 C THR A 79 -0.505 9.651 5.046 1.00 0.00 C ATOM 1171 O THR A 79 -1.713 9.419 5.086 1.00 0.00 O ATOM 1172 CB THR A 79 -0.252 10.129 7.482 1.00 0.00 C ATOM 1173 OG1 THR A 79 0.305 11.021 8.454 1.00 0.00 O ATOM 1174 CG2 THR A 79 0.228 8.712 7.754 1.00 0.00 C ATOM 0 H THR A 79 -1.104 12.250 6.259 1.00 0.00 H new ATOM 0 HA THR A 79 1.231 10.522 5.964 1.00 0.00 H new ATOM 0 HB THR A 79 -1.340 10.147 7.553 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.046 10.729 9.353 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.065 8.416 8.761 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.220 8.031 7.030 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.314 8.672 7.666 1.00 0.00 H new ATOM 1182 N VAL A 80 0.304 9.119 4.135 1.00 0.00 N ATOM 1183 CA VAL A 80 -0.194 8.213 3.107 1.00 0.00 C ATOM 1184 C VAL A 80 0.288 6.787 3.351 1.00 0.00 C ATOM 1185 O VAL A 80 1.434 6.567 3.741 1.00 0.00 O ATOM 1186 CB VAL A 80 0.251 8.659 1.702 1.00 0.00 C ATOM 1187 CG1 VAL A 80 -0.234 10.072 1.412 1.00 0.00 C ATOM 1188 CG2 VAL A 80 1.763 8.568 1.568 1.00 0.00 C ATOM 0 H VAL A 80 1.307 9.300 4.088 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.282 8.241 3.161 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.197 7.989 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.090 10.370 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.322 10.101 1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.183 10.758 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.060 8.887 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.234 9.214 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.081 7.538 1.729 1.00 0.00 H new ATOM 1198 N GLU A 81 -0.596 5.822 3.119 1.00 0.00 N ATOM 1199 CA GLU A 81 -0.260 4.416 3.314 1.00 0.00 C ATOM 1200 C GLU A 81 -0.807 3.562 2.174 1.00 0.00 C ATOM 1201 O GLU A 81 -1.988 3.645 1.832 1.00 0.00 O ATOM 1202 CB GLU A 81 -0.814 3.917 4.650 1.00 0.00 C ATOM 1203 CG GLU A 81 -0.502 4.836 5.820 1.00 0.00 C ATOM 1204 CD GLU A 81 -1.255 4.454 7.079 1.00 0.00 C ATOM 1205 OE1 GLU A 81 -2.503 4.414 7.034 1.00 0.00 O ATOM 1206 OE2 GLU A 81 -0.598 4.195 8.109 1.00 0.00 O ATOM 0 H GLU A 81 -1.549 5.987 2.796 1.00 0.00 H new ATOM 0 HA GLU A 81 0.826 4.327 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.895 3.804 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.405 2.928 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.569 4.812 6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.752 5.861 5.548 1.00 0.00 H new ATOM 1213 N LEU A 82 0.059 2.743 1.588 1.00 0.00 N ATOM 1214 CA LEU A 82 -0.335 1.873 0.485 1.00 0.00 C ATOM 1215 C LEU A 82 -0.609 0.457 0.980 1.00 0.00 C ATOM 1216 O LEU A 82 0.291 -0.226 1.470 1.00 0.00 O ATOM 1217 CB LEU A 82 0.755 1.850 -0.587 1.00 0.00 C ATOM 1218 CG LEU A 82 0.625 0.762 -1.653 1.00 0.00 C ATOM 1219 CD1 LEU A 82 -0.611 0.998 -2.508 1.00 0.00 C ATOM 1220 CD2 LEU A 82 1.874 0.712 -2.521 1.00 0.00 C ATOM 0 H LEU A 82 1.039 2.663 1.858 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.253 2.270 0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.767 2.819 -1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.720 1.733 -0.093 1.00 0.00 H new ATOM 0 HG LEU A 82 0.517 -0.200 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.687 0.214 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.499 0.982 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.533 1.968 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.763 -0.068 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.013 1.674 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.742 0.494 -1.898 1.00 0.00 H new ATOM 1232 N HIS A 83 -1.858 0.020 0.846 1.00 0.00 N ATOM 1233 CA HIS A 83 -2.250 -1.317 1.277 1.00 0.00 C ATOM 1234 C HIS A 83 -2.542 -2.211 0.076 1.00 0.00 C ATOM 1235 O HIS A 83 -3.258 -1.816 -0.845 1.00 0.00 O ATOM 1236 CB HIS A 83 -3.478 -1.244 2.184 1.00 0.00 C ATOM 1237 CG HIS A 83 -3.285 -0.370 3.385 1.00 0.00 C ATOM 1238 ND1 HIS A 83 -3.717 -0.719 4.647 1.00 0.00 N ATOM 1239 CD2 HIS A 83 -2.701 0.844 3.511 1.00 0.00 C ATOM 1240 CE1 HIS A 83 -3.408 0.244 5.497 1.00 0.00 C ATOM 1241 NE2 HIS A 83 -2.790 1.204 4.833 1.00 0.00 N ATOM 0 H HIS A 83 -2.615 0.572 0.443 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.420 -1.749 1.836 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.324 -0.872 1.607 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.735 -2.250 2.515 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.200 -1.585 4.887 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -2.249 1.422 2.719 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.624 0.246 6.555 1.00 0.00 H new ATOM 1250 N ILE A 84 -1.983 -3.417 0.091 1.00 0.00 N ATOM 1251 CA ILE A 84 -2.184 -4.366 -0.997 1.00 0.00 C ATOM 1252 C ILE A 84 -2.675 -5.710 -0.469 1.00 0.00 C ATOM 1253 O ILE A 84 -2.081 -6.286 0.441 1.00 0.00 O ATOM 1254 CB ILE A 84 -0.889 -4.584 -1.801 1.00 0.00 C ATOM 1255 CG1 ILE A 84 -0.275 -3.239 -2.195 1.00 0.00 C ATOM 1256 CG2 ILE A 84 -1.168 -5.428 -3.035 1.00 0.00 C ATOM 1257 CD1 ILE A 84 1.194 -3.325 -2.546 1.00 0.00 C ATOM 0 H ILE A 84 -1.387 -3.760 0.845 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.941 -3.938 -1.654 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.175 -5.118 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.821 -2.835 -3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.403 -2.535 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.243 -5.573 -3.593 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.565 -6.397 -2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.897 -4.920 -3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.562 -2.335 -2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.752 -3.699 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.328 -4.003 -3.389 1.00 0.00 H new ATOM 1269 N GLY A 85 -3.763 -6.206 -1.051 1.00 0.00 N ATOM 1270 CA GLY A 85 -4.314 -7.480 -0.628 1.00 0.00 C ATOM 1271 C GLY A 85 -4.043 -8.589 -1.625 1.00 0.00 C ATOM 1272 O GLY A 85 -3.945 -8.344 -2.827 1.00 0.00 O ATOM 0 H GLY A 85 -4.272 -5.748 -1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.890 -7.753 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.390 -7.378 -0.486 1.00 0.00 H new ATOM 1276 N LYS A 86 -3.919 -9.814 -1.125 1.00 0.00 N ATOM 1277 CA LYS A 86 -3.656 -10.966 -1.980 1.00 0.00 C ATOM 1278 C LYS A 86 -2.358 -10.781 -2.759 1.00 0.00 C ATOM 1279 O LYS A 86 -2.319 -10.972 -3.974 1.00 0.00 O ATOM 1280 CB LYS A 86 -4.819 -11.183 -2.951 1.00 0.00 C ATOM 1281 CG LYS A 86 -6.182 -11.166 -2.280 1.00 0.00 C ATOM 1282 CD LYS A 86 -7.259 -11.730 -3.192 1.00 0.00 C ATOM 1283 CE LYS A 86 -7.880 -10.645 -4.058 1.00 0.00 C ATOM 1284 NZ LYS A 86 -7.109 -10.429 -5.314 1.00 0.00 N ATOM 0 H LYS A 86 -3.996 -10.035 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.554 -11.844 -1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.791 -10.409 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.685 -12.138 -3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.143 -11.748 -1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.439 -10.144 -2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.830 -12.504 -3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.034 -12.205 -2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.906 -10.919 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.926 -9.713 -3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.732 -10.017 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.318 -9.780 -5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.738 -11.339 -5.654 1.00 0.00 H new ATOM 1298 N VAL A 87 -1.296 -10.410 -2.051 1.00 0.00 N ATOM 1299 CA VAL A 87 0.005 -10.202 -2.676 1.00 0.00 C ATOM 1300 C VAL A 87 0.522 -11.488 -3.310 1.00 0.00 C ATOM 1301 O VAL A 87 0.264 -12.585 -2.813 1.00 0.00 O ATOM 1302 CB VAL A 87 1.041 -9.691 -1.657 1.00 0.00 C ATOM 1303 CG1 VAL A 87 0.816 -8.217 -1.358 1.00 0.00 C ATOM 1304 CG2 VAL A 87 0.985 -10.517 -0.381 1.00 0.00 C ATOM 0 H VAL A 87 -1.311 -10.247 -1.044 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.133 -9.449 -3.452 1.00 0.00 H new ATOM 0 HB VAL A 87 2.035 -9.801 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.558 -7.875 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.912 -7.640 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.183 -8.078 -0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.723 -10.142 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.010 -10.442 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.201 -11.560 -0.613 1.00 0.00 H new ATOM 1314 N VAL A 88 1.254 -11.346 -4.410 1.00 0.00 N ATOM 1315 CA VAL A 88 1.810 -12.497 -5.112 1.00 0.00 C ATOM 1316 C VAL A 88 3.257 -12.245 -5.521 1.00 0.00 C ATOM 1317 O VAL A 88 3.722 -11.104 -5.527 1.00 0.00 O ATOM 1318 CB VAL A 88 0.985 -12.841 -6.366 1.00 0.00 C ATOM 1319 CG1 VAL A 88 -0.421 -13.272 -5.980 1.00 0.00 C ATOM 1320 CG2 VAL A 88 0.946 -11.655 -7.319 1.00 0.00 C ATOM 0 H VAL A 88 1.476 -10.445 -4.834 1.00 0.00 H new ATOM 0 HA VAL A 88 1.773 -13.338 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 88 1.466 -13.674 -6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.988 -13.511 -6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.369 -14.152 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.915 -12.462 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.359 -11.915 -8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.490 -10.801 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.961 -11.398 -7.622 1.00 0.00 H new ATOM 1330 N LEU A 89 3.964 -13.316 -5.864 1.00 0.00 N ATOM 1331 CA LEU A 89 5.359 -13.211 -6.276 1.00 0.00 C ATOM 1332 C LEU A 89 5.509 -12.254 -7.454 1.00 0.00 C ATOM 1333 O LEU A 89 6.569 -11.663 -7.656 1.00 0.00 O ATOM 1334 CB LEU A 89 5.905 -14.590 -6.652 1.00 0.00 C ATOM 1335 CG LEU A 89 6.514 -15.405 -5.510 1.00 0.00 C ATOM 1336 CD1 LEU A 89 7.976 -15.036 -5.312 1.00 0.00 C ATOM 1337 CD2 LEU A 89 5.729 -15.191 -4.224 1.00 0.00 C ATOM 0 H LEU A 89 3.594 -14.267 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 89 5.931 -12.816 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.096 -15.171 -7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.664 -14.460 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 89 6.459 -16.461 -5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.393 -15.626 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.530 -15.241 -6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.054 -13.976 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.177 -15.779 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.751 -14.135 -3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.696 -15.506 -4.372 1.00 0.00 H new ATOM 1349 N GLY A 90 4.439 -12.105 -8.229 1.00 0.00 N ATOM 1350 CA GLY A 90 4.471 -11.217 -9.376 1.00 0.00 C ATOM 1351 C GLY A 90 4.408 -9.755 -8.979 1.00 0.00 C ATOM 1352 O GLY A 90 4.633 -8.870 -9.805 1.00 0.00 O ATOM 0 H GLY A 90 3.550 -12.584 -8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.383 -11.397 -9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.633 -11.448 -10.034 1.00 0.00 H new ATOM 1356 N ASP A 91 4.099 -9.500 -7.713 1.00 0.00 N ATOM 1357 CA ASP A 91 4.006 -8.135 -7.208 1.00 0.00 C ATOM 1358 C ASP A 91 5.312 -7.712 -6.542 1.00 0.00 C ATOM 1359 O ASP A 91 5.722 -6.555 -6.637 1.00 0.00 O ATOM 1360 CB ASP A 91 2.850 -8.014 -6.214 1.00 0.00 C ATOM 1361 CG ASP A 91 1.497 -8.187 -6.877 1.00 0.00 C ATOM 1362 OD1 ASP A 91 1.416 -8.936 -7.872 1.00 0.00 O ATOM 1363 OD2 ASP A 91 0.520 -7.573 -6.399 1.00 0.00 O ATOM 0 H ASP A 91 3.908 -10.221 -7.017 1.00 0.00 H new ATOM 0 HA ASP A 91 3.819 -7.473 -8.053 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.967 -8.764 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.892 -7.039 -5.729 1.00 0.00 H new ATOM 1368 N ARG A 92 5.959 -8.656 -5.867 1.00 0.00 N ATOM 1369 CA ARG A 92 7.217 -8.380 -5.183 1.00 0.00 C ATOM 1370 C ARG A 92 8.228 -7.750 -6.137 1.00 0.00 C ATOM 1371 O ARG A 92 8.214 -8.017 -7.338 1.00 0.00 O ATOM 1372 CB ARG A 92 7.793 -9.668 -4.591 1.00 0.00 C ATOM 1373 CG ARG A 92 8.718 -10.414 -5.539 1.00 0.00 C ATOM 1374 CD ARG A 92 8.725 -11.907 -5.250 1.00 0.00 C ATOM 1375 NE ARG A 92 9.990 -12.532 -5.627 1.00 0.00 N ATOM 1376 CZ ARG A 92 10.353 -12.756 -6.885 1.00 0.00 C ATOM 1377 NH1 ARG A 92 9.551 -12.408 -7.881 1.00 0.00 N ATOM 1378 NH2 ARG A 92 11.520 -13.329 -7.147 1.00 0.00 N ATOM 0 H ARG A 92 5.633 -9.619 -5.779 1.00 0.00 H new ATOM 0 HA ARG A 92 7.016 -7.675 -4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.339 -9.426 -3.679 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.972 -10.326 -4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.401 -10.243 -6.568 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.730 -10.020 -5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.542 -12.071 -4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.909 -12.385 -5.792 1.00 0.00 H new ATOM 0 HE ARG A 92 10.630 -12.812 -4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.653 -11.967 -7.682 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.832 -12.581 -8.846 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.139 -13.598 -6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.798 -13.501 -8.113 1.00 0.00 H new ATOM 1392 N GLY A 93 9.104 -6.911 -5.593 1.00 0.00 N ATOM 1393 CA GLY A 93 10.109 -6.256 -6.410 1.00 0.00 C ATOM 1394 C GLY A 93 10.517 -4.905 -5.854 1.00 0.00 C ATOM 1395 O GLY A 93 11.134 -4.824 -4.792 1.00 0.00 O ATOM 0 H GLY A 93 9.136 -6.673 -4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.988 -6.896 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.724 -6.128 -7.422 1.00 0.00 H new ATOM 1399 N TYR A 94 10.174 -3.843 -6.574 1.00 0.00 N ATOM 1400 CA TYR A 94 10.512 -2.490 -6.149 1.00 0.00 C ATOM 1401 C TYR A 94 9.454 -1.493 -6.611 1.00 0.00 C ATOM 1402 O TYR A 94 8.806 -1.690 -7.640 1.00 0.00 O ATOM 1403 CB TYR A 94 11.882 -2.088 -6.698 1.00 0.00 C ATOM 1404 CG TYR A 94 12.066 -0.593 -6.830 1.00 0.00 C ATOM 1405 CD1 TYR A 94 11.344 0.135 -7.768 1.00 0.00 C ATOM 1406 CD2 TYR A 94 12.963 0.091 -6.018 1.00 0.00 C ATOM 1407 CE1 TYR A 94 11.509 1.501 -7.893 1.00 0.00 C ATOM 1408 CE2 TYR A 94 13.133 1.457 -6.135 1.00 0.00 C ATOM 1409 CZ TYR A 94 12.405 2.157 -7.074 1.00 0.00 C ATOM 1410 OH TYR A 94 12.573 3.518 -7.195 1.00 0.00 O ATOM 0 H TYR A 94 9.662 -3.893 -7.455 1.00 0.00 H new ATOM 0 HA TYR A 94 10.546 -2.477 -5.060 1.00 0.00 H new ATOM 0 HB2 TYR A 94 12.657 -2.485 -6.043 1.00 0.00 H new ATOM 0 HB3 TYR A 94 12.023 -2.551 -7.675 1.00 0.00 H new ATOM 0 HD1 TYR A 94 10.642 -0.376 -8.410 1.00 0.00 H new ATOM 0 HD2 TYR A 94 13.537 -0.454 -5.283 1.00 0.00 H new ATOM 0 HE1 TYR A 94 10.940 2.052 -8.627 1.00 0.00 H new ATOM 0 HE2 TYR A 94 13.832 1.974 -5.495 1.00 0.00 H new ATOM 0 HH TYR A 94 13.239 3.825 -6.545 1.00 0.00 H new ATOM 1420 N TYR A 95 9.284 -0.422 -5.844 1.00 0.00 N ATOM 1421 CA TYR A 95 8.304 0.606 -6.173 1.00 0.00 C ATOM 1422 C TYR A 95 8.931 1.995 -6.114 1.00 0.00 C ATOM 1423 O TYR A 95 10.111 2.143 -5.797 1.00 0.00 O ATOM 1424 CB TYR A 95 7.114 0.530 -5.215 1.00 0.00 C ATOM 1425 CG TYR A 95 6.335 -0.761 -5.317 1.00 0.00 C ATOM 1426 CD1 TYR A 95 6.755 -1.904 -4.648 1.00 0.00 C ATOM 1427 CD2 TYR A 95 5.179 -0.839 -6.084 1.00 0.00 C ATOM 1428 CE1 TYR A 95 6.047 -3.087 -4.739 1.00 0.00 C ATOM 1429 CE2 TYR A 95 4.464 -2.017 -6.180 1.00 0.00 C ATOM 1430 CZ TYR A 95 4.902 -3.138 -5.506 1.00 0.00 C ATOM 1431 OH TYR A 95 4.193 -4.314 -5.601 1.00 0.00 O ATOM 0 H TYR A 95 9.812 -0.243 -4.990 1.00 0.00 H new ATOM 0 HA TYR A 95 7.955 0.428 -7.190 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.473 0.648 -4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 95 6.443 1.366 -5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.651 -1.867 -4.046 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.834 0.036 -6.614 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.388 -3.966 -4.213 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.567 -2.060 -6.780 1.00 0.00 H new ATOM 0 HH TYR A 95 4.774 -5.018 -5.957 1.00 0.00 H new ATOM 1441 N ARG A 96 8.132 3.012 -6.422 1.00 0.00 N ATOM 1442 CA ARG A 96 8.607 4.390 -6.405 1.00 0.00 C ATOM 1443 C ARG A 96 7.459 5.358 -6.137 1.00 0.00 C ATOM 1444 O ARG A 96 6.422 5.307 -6.800 1.00 0.00 O ATOM 1445 CB ARG A 96 9.280 4.736 -7.735 1.00 0.00 C ATOM 1446 CG ARG A 96 9.719 6.188 -7.836 1.00 0.00 C ATOM 1447 CD ARG A 96 9.867 6.625 -9.285 1.00 0.00 C ATOM 1448 NE ARG A 96 8.626 6.461 -10.036 1.00 0.00 N ATOM 1449 CZ ARG A 96 8.509 6.734 -11.331 1.00 0.00 C ATOM 1450 NH1 ARG A 96 9.553 7.183 -12.014 1.00 0.00 N ATOM 1451 NH2 ARG A 96 7.345 6.558 -11.944 1.00 0.00 N ATOM 0 H ARG A 96 7.152 2.907 -6.686 1.00 0.00 H new ATOM 0 HA ARG A 96 9.336 4.487 -5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.149 4.092 -7.871 1.00 0.00 H new ATOM 0 HB3 ARG A 96 8.590 4.516 -8.550 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.990 6.825 -7.335 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.668 6.319 -7.316 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.176 7.670 -9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.657 6.044 -9.760 1.00 0.00 H new ATOM 0 HE ARG A 96 7.804 6.118 -9.539 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.449 7.320 -11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.461 7.392 -13.008 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.540 6.213 -11.421 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.255 6.768 -12.938 1.00 0.00 H new ATOM 1465 N LEU A 97 7.650 6.238 -5.161 1.00 0.00 N ATOM 1466 CA LEU A 97 6.630 7.218 -4.804 1.00 0.00 C ATOM 1467 C LEU A 97 7.017 8.610 -5.294 1.00 0.00 C ATOM 1468 O LEU A 97 7.991 9.196 -4.823 1.00 0.00 O ATOM 1469 CB LEU A 97 6.423 7.239 -3.288 1.00 0.00 C ATOM 1470 CG LEU A 97 5.421 8.267 -2.762 1.00 0.00 C ATOM 1471 CD1 LEU A 97 4.001 7.865 -3.130 1.00 0.00 C ATOM 1472 CD2 LEU A 97 5.559 8.423 -1.254 1.00 0.00 C ATOM 0 H LEU A 97 8.502 6.293 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 97 5.698 6.928 -5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.096 6.248 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.386 7.424 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 97 5.637 9.228 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.302 8.608 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.909 7.805 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.773 6.893 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.838 9.159 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.370 7.465 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.568 8.758 -1.014 1.00 0.00 H new ATOM 1484 N GLU A 98 6.246 9.133 -6.242 1.00 0.00 N ATOM 1485 CA GLU A 98 6.507 10.457 -6.795 1.00 0.00 C ATOM 1486 C GLU A 98 5.730 11.527 -6.035 1.00 0.00 C ATOM 1487 O GLU A 98 4.564 11.336 -5.691 1.00 0.00 O ATOM 1488 CB GLU A 98 6.135 10.497 -8.279 1.00 0.00 C ATOM 1489 CG GLU A 98 6.586 11.764 -8.986 1.00 0.00 C ATOM 1490 CD GLU A 98 6.320 11.726 -10.478 1.00 0.00 C ATOM 1491 OE1 GLU A 98 5.226 11.271 -10.873 1.00 0.00 O ATOM 1492 OE2 GLU A 98 7.204 12.151 -11.250 1.00 0.00 O ATOM 0 H GLU A 98 5.436 8.660 -6.643 1.00 0.00 H new ATOM 0 HA GLU A 98 7.572 10.663 -6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.577 9.635 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.054 10.402 -8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.072 12.621 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.652 11.911 -8.815 1.00 0.00 H new ATOM 1499 N VAL A 99 6.385 12.654 -5.777 1.00 0.00 N ATOM 1500 CA VAL A 99 5.757 13.756 -5.058 1.00 0.00 C ATOM 1501 C VAL A 99 6.312 15.100 -5.518 1.00 0.00 C ATOM 1502 O VAL A 99 7.463 15.437 -5.240 1.00 0.00 O ATOM 1503 CB VAL A 99 5.960 13.623 -3.537 1.00 0.00 C ATOM 1504 CG1 VAL A 99 5.500 14.886 -2.824 1.00 0.00 C ATOM 1505 CG2 VAL A 99 5.222 12.403 -3.007 1.00 0.00 C ATOM 0 H VAL A 99 7.351 12.828 -6.055 1.00 0.00 H new ATOM 0 HA VAL A 99 4.691 13.711 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 99 7.024 13.491 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.651 14.773 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.077 15.738 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.442 15.053 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.376 12.324 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.157 12.503 -3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.604 11.506 -3.495 1.00 0.00 H new ATOM 1515 N LYS A 100 5.486 15.865 -6.222 1.00 0.00 N ATOM 1516 CA LYS A 100 5.892 17.174 -6.720 1.00 0.00 C ATOM 1517 C LYS A 100 4.967 18.267 -6.194 1.00 0.00 C ATOM 1518 O LYS A 100 3.784 18.031 -5.955 1.00 0.00 O ATOM 1519 CB LYS A 100 5.890 17.184 -8.251 1.00 0.00 C ATOM 1520 CG LYS A 100 6.673 18.337 -8.853 1.00 0.00 C ATOM 1521 CD LYS A 100 6.131 18.727 -10.218 1.00 0.00 C ATOM 1522 CE LYS A 100 7.173 19.470 -11.039 1.00 0.00 C ATOM 1523 NZ LYS A 100 6.787 19.559 -12.475 1.00 0.00 N ATOM 0 H LYS A 100 4.530 15.601 -6.461 1.00 0.00 H new ATOM 0 HA LYS A 100 6.902 17.373 -6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.308 16.244 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.860 17.232 -8.604 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.629 19.196 -8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.723 18.057 -8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.814 17.832 -10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.248 19.354 -10.095 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.305 20.474 -10.635 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.134 18.962 -10.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.523 20.072 -13.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.686 18.601 -12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.883 20.066 -12.561 1.00 0.00 H new ATOM 1537 N ALA A 101 5.516 19.465 -6.016 1.00 0.00 N ATOM 1538 CA ALA A 101 4.739 20.595 -5.521 1.00 0.00 C ATOM 1539 C ALA A 101 4.993 21.844 -6.358 1.00 0.00 C ATOM 1540 O ALA A 101 5.693 21.794 -7.370 1.00 0.00 O ATOM 1541 CB ALA A 101 5.068 20.861 -4.059 1.00 0.00 C ATOM 0 H ALA A 101 6.495 19.678 -6.207 1.00 0.00 H new ATOM 0 HA ALA A 101 3.682 20.342 -5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.481 21.707 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.830 19.978 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.129 21.089 -3.960 1.00 0.00 H new ATOM 1547 N LYS A 102 4.418 22.963 -5.932 1.00 0.00 N ATOM 1548 CA LYS A 102 4.581 24.226 -6.642 1.00 0.00 C ATOM 1549 C LYS A 102 5.965 24.319 -7.275 1.00 0.00 C ATOM 1550 O LYS A 102 6.093 24.476 -8.490 1.00 0.00 O ATOM 1551 CB LYS A 102 4.365 25.403 -5.687 1.00 0.00 C ATOM 1552 CG LYS A 102 3.793 26.637 -6.362 1.00 0.00 C ATOM 1553 CD LYS A 102 2.341 26.433 -6.760 1.00 0.00 C ATOM 1554 CE LYS A 102 1.735 27.706 -7.331 1.00 0.00 C ATOM 1555 NZ LYS A 102 1.960 27.817 -8.799 1.00 0.00 N ATOM 0 H LYS A 102 3.834 23.021 -5.098 1.00 0.00 H new ATOM 0 HA LYS A 102 3.834 24.268 -7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 102 3.693 25.092 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.316 25.662 -5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.870 27.490 -5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.384 26.876 -7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.274 25.634 -7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.766 26.113 -5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.665 27.723 -7.125 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.169 28.571 -6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.532 28.698 -9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 2.982 27.827 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.524 27.004 -9.280 1.00 0.00 H new ATOM 1569 N ASP A 103 6.998 24.220 -6.446 1.00 0.00 N ATOM 1570 CA ASP A 103 8.374 24.290 -6.926 1.00 0.00 C ATOM 1571 C ASP A 103 9.206 23.144 -6.361 1.00 0.00 C ATOM 1572 O ASP A 103 10.133 22.656 -7.009 1.00 0.00 O ATOM 1573 CB ASP A 103 9.002 25.631 -6.543 1.00 0.00 C ATOM 1574 CG ASP A 103 10.511 25.626 -6.692 1.00 0.00 C ATOM 1575 OD1 ASP A 103 10.998 25.930 -7.802 1.00 0.00 O ATOM 1576 OD2 ASP A 103 11.204 25.321 -5.700 1.00 0.00 O ATOM 0 H ASP A 103 6.909 24.091 -5.438 1.00 0.00 H new ATOM 0 HA ASP A 103 8.359 24.202 -8.012 1.00 0.00 H new ATOM 0 HB2 ASP A 103 8.580 26.418 -7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 103 8.742 25.869 -5.512 1.00 0.00 H new ATOM 1581 N THR A 104 8.869 22.717 -5.148 1.00 0.00 N ATOM 1582 CA THR A 104 9.586 21.629 -4.494 1.00 0.00 C ATOM 1583 C THR A 104 9.276 20.291 -5.154 1.00 0.00 C ATOM 1584 O THR A 104 8.133 20.021 -5.526 1.00 0.00 O ATOM 1585 CB THR A 104 9.234 21.544 -2.997 1.00 0.00 C ATOM 1586 OG1 THR A 104 9.530 22.788 -2.352 1.00 0.00 O ATOM 1587 CG2 THR A 104 10.006 20.421 -2.322 1.00 0.00 C ATOM 0 H THR A 104 8.104 23.108 -4.598 1.00 0.00 H new ATOM 0 HA THR A 104 10.649 21.844 -4.598 1.00 0.00 H new ATOM 0 HB THR A 104 8.168 21.334 -2.909 1.00 0.00 H new ATOM 0 HG1 THR A 104 9.302 22.726 -1.401 1.00 0.00 H new ATOM 0 HG21 THR A 104 9.741 20.381 -1.266 1.00 0.00 H new ATOM 0 HG22 THR A 104 9.756 19.472 -2.795 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.076 20.605 -2.421 1.00 0.00 H new ATOM 1595 N CYS A 105 10.299 19.456 -5.297 1.00 0.00 N ATOM 1596 CA CYS A 105 10.135 18.144 -5.914 1.00 0.00 C ATOM 1597 C CYS A 105 10.962 17.092 -5.181 1.00 0.00 C ATOM 1598 O CYS A 105 12.163 17.267 -4.972 1.00 0.00 O ATOM 1599 CB CYS A 105 10.543 18.196 -7.387 1.00 0.00 C ATOM 1600 SG CYS A 105 12.303 18.509 -7.656 1.00 0.00 S ATOM 0 H CYS A 105 11.251 19.664 -4.994 1.00 0.00 H new ATOM 0 HA CYS A 105 9.083 17.866 -5.846 1.00 0.00 H new ATOM 0 HB2 CYS A 105 10.277 17.251 -7.860 1.00 0.00 H new ATOM 0 HB3 CYS A 105 9.966 18.975 -7.885 1.00 0.00 H new ATOM 0 HG CYS A 105 12.986 18.034 -6.657 1.00 0.00 H new ATOM 1606 N ASP A 106 10.312 16.001 -4.793 1.00 0.00 N ATOM 1607 CA ASP A 106 10.986 14.921 -4.083 1.00 0.00 C ATOM 1608 C ASP A 106 10.259 13.596 -4.293 1.00 0.00 C ATOM 1609 O ASP A 106 9.040 13.565 -4.458 1.00 0.00 O ATOM 1610 CB ASP A 106 11.072 15.239 -2.590 1.00 0.00 C ATOM 1611 CG ASP A 106 12.268 14.584 -1.926 1.00 0.00 C ATOM 1612 OD1 ASP A 106 13.378 15.151 -2.009 1.00 0.00 O ATOM 1613 OD2 ASP A 106 12.094 13.504 -1.324 1.00 0.00 O ATOM 0 H ASP A 106 9.318 15.841 -4.958 1.00 0.00 H new ATOM 0 HA ASP A 106 11.995 14.829 -4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 106 11.131 16.319 -2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 106 10.159 14.905 -2.097 1.00 0.00 H new ATOM 1618 N SER A 107 11.017 12.503 -4.285 1.00 0.00 N ATOM 1619 CA SER A 107 10.445 11.176 -4.479 1.00 0.00 C ATOM 1620 C SER A 107 11.257 10.121 -3.734 1.00 0.00 C ATOM 1621 O SER A 107 12.488 10.153 -3.737 1.00 0.00 O ATOM 1622 CB SER A 107 10.390 10.834 -5.969 1.00 0.00 C ATOM 1623 OG SER A 107 11.675 10.919 -6.560 1.00 0.00 O ATOM 0 H SER A 107 12.028 12.511 -4.146 1.00 0.00 H new ATOM 0 HA SER A 107 9.432 11.182 -4.077 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.992 9.828 -6.100 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.707 11.515 -6.477 1.00 0.00 H new ATOM 0 HG SER A 107 11.613 10.694 -7.512 1.00 0.00 H new ATOM 1629 N CYS A 108 10.559 9.188 -3.096 1.00 0.00 N ATOM 1630 CA CYS A 108 11.214 8.122 -2.345 1.00 0.00 C ATOM 1631 C CYS A 108 10.997 6.771 -3.017 1.00 0.00 C ATOM 1632 O CYS A 108 10.031 6.581 -3.755 1.00 0.00 O ATOM 1633 CB CYS A 108 10.686 8.083 -0.910 1.00 0.00 C ATOM 1634 SG CYS A 108 11.879 7.465 0.299 1.00 0.00 S ATOM 0 H CYS A 108 9.540 9.148 -3.084 1.00 0.00 H new ATOM 0 HA CYS A 108 12.284 8.329 -2.325 1.00 0.00 H new ATOM 0 HB2 CYS A 108 10.378 9.088 -0.620 1.00 0.00 H new ATOM 0 HB3 CYS A 108 9.795 7.456 -0.879 1.00 0.00 H new ATOM 0 HG CYS A 108 11.619 6.220 0.568 1.00 0.00 H new ATOM 1640 N GLY A 109 11.904 5.834 -2.758 1.00 0.00 N ATOM 1641 CA GLY A 109 11.795 4.512 -3.347 1.00 0.00 C ATOM 1642 C GLY A 109 11.817 3.410 -2.306 1.00 0.00 C ATOM 1643 O GLY A 109 12.659 3.412 -1.408 1.00 0.00 O ATOM 0 H GLY A 109 12.713 5.967 -2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.870 4.448 -3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 109 12.616 4.361 -4.049 1.00 0.00 H new ATOM 1647 N PHE A 110 10.889 2.466 -2.426 1.00 0.00 N ATOM 1648 CA PHE A 110 10.804 1.354 -1.486 1.00 0.00 C ATOM 1649 C PHE A 110 10.801 0.018 -2.224 1.00 0.00 C ATOM 1650 O PHE A 110 10.604 -0.033 -3.437 1.00 0.00 O ATOM 1651 CB PHE A 110 9.543 1.479 -0.629 1.00 0.00 C ATOM 1652 CG PHE A 110 8.282 1.617 -1.433 1.00 0.00 C ATOM 1653 CD1 PHE A 110 8.083 2.719 -2.250 1.00 0.00 C ATOM 1654 CD2 PHE A 110 7.296 0.645 -1.373 1.00 0.00 C ATOM 1655 CE1 PHE A 110 6.923 2.848 -2.990 1.00 0.00 C ATOM 1656 CE2 PHE A 110 6.135 0.770 -2.111 1.00 0.00 C ATOM 1657 CZ PHE A 110 5.949 1.872 -2.922 1.00 0.00 C ATOM 0 H PHE A 110 10.186 2.449 -3.165 1.00 0.00 H new ATOM 0 HA PHE A 110 11.680 1.390 -0.838 1.00 0.00 H new ATOM 0 HB2 PHE A 110 9.461 0.602 0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 110 9.643 2.344 0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 110 8.842 3.485 -2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 110 7.437 -0.220 -0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 110 6.778 3.712 -3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.373 0.006 -2.054 1.00 0.00 H new ATOM 0 HZ PHE A 110 5.043 1.970 -3.502 1.00 0.00 H new ATOM 1667 N ASN A 111 11.021 -1.061 -1.481 1.00 0.00 N ATOM 1668 CA ASN A 111 11.046 -2.398 -2.063 1.00 0.00 C ATOM 1669 C ASN A 111 10.241 -3.376 -1.213 1.00 0.00 C ATOM 1670 O ASN A 111 10.398 -3.429 0.007 1.00 0.00 O ATOM 1671 CB ASN A 111 12.488 -2.891 -2.201 1.00 0.00 C ATOM 1672 CG ASN A 111 13.355 -1.929 -2.988 1.00 0.00 C ATOM 1673 OD1 ASN A 111 13.446 -0.691 -2.515 1.00 0.00 O flip ATOM 1674 ND2 ASN A 111 13.937 -2.294 -4.010 1.00 0.00 N flip ATOM 0 H ASN A 111 11.185 -1.036 -0.475 1.00 0.00 H new ATOM 0 HA ASN A 111 10.592 -2.345 -3.052 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.917 -3.034 -1.209 1.00 0.00 H new ATOM 0 HB3 ASN A 111 12.491 -3.864 -2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 111 13.839 -3.255 -4.337 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.517 -1.635 -4.529 1.00 0.00 H new ATOM 1681 N ILE A 112 9.379 -4.149 -1.866 1.00 0.00 N ATOM 1682 CA ILE A 112 8.552 -5.127 -1.171 1.00 0.00 C ATOM 1683 C ILE A 112 8.963 -6.550 -1.530 1.00 0.00 C ATOM 1684 O ILE A 112 9.467 -6.805 -2.624 1.00 0.00 O ATOM 1685 CB ILE A 112 7.059 -4.937 -1.500 1.00 0.00 C ATOM 1686 CG1 ILE A 112 6.629 -3.498 -1.207 1.00 0.00 C ATOM 1687 CG2 ILE A 112 6.212 -5.921 -0.708 1.00 0.00 C ATOM 1688 CD1 ILE A 112 5.211 -3.192 -1.638 1.00 0.00 C ATOM 0 H ILE A 112 9.236 -4.116 -2.875 1.00 0.00 H new ATOM 0 HA ILE A 112 8.704 -4.967 -0.104 1.00 0.00 H new ATOM 0 HB ILE A 112 6.909 -5.132 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.724 -3.309 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.310 -2.814 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.160 -5.774 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 112 6.504 -6.940 -0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.364 -5.756 0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.974 -2.155 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.116 -3.348 -2.712 1.00 0.00 H new ATOM 0 HD13 ILE A 112 4.521 -3.852 -1.113 1.00 0.00 H new ATOM 1700 N ASP A 113 8.743 -7.476 -0.602 1.00 0.00 N ATOM 1701 CA ASP A 113 9.088 -8.875 -0.822 1.00 0.00 C ATOM 1702 C ASP A 113 7.894 -9.781 -0.536 1.00 0.00 C ATOM 1703 O ASP A 113 7.146 -9.557 0.416 1.00 0.00 O ATOM 1704 CB ASP A 113 10.270 -9.276 0.062 1.00 0.00 C ATOM 1705 CG ASP A 113 11.120 -10.363 -0.566 1.00 0.00 C ATOM 1706 OD1 ASP A 113 10.827 -11.555 -0.334 1.00 0.00 O ATOM 1707 OD2 ASP A 113 12.078 -10.022 -1.291 1.00 0.00 O ATOM 0 H ASP A 113 8.327 -7.282 0.309 1.00 0.00 H new ATOM 0 HA ASP A 113 9.369 -8.994 -1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 113 10.890 -8.400 0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 113 9.898 -9.621 1.026 1.00 0.00 H new ATOM 1712 N VAL A 114 7.720 -10.803 -1.367 1.00 0.00 N ATOM 1713 CA VAL A 114 6.617 -11.742 -1.204 1.00 0.00 C ATOM 1714 C VAL A 114 7.131 -13.161 -0.984 1.00 0.00 C ATOM 1715 O VAL A 114 7.394 -13.891 -1.939 1.00 0.00 O ATOM 1716 CB VAL A 114 5.684 -11.731 -2.430 1.00 0.00 C ATOM 1717 CG1 VAL A 114 4.561 -12.742 -2.255 1.00 0.00 C ATOM 1718 CG2 VAL A 114 5.125 -10.335 -2.660 1.00 0.00 C ATOM 0 H VAL A 114 8.329 -11.002 -2.161 1.00 0.00 H new ATOM 0 HA VAL A 114 6.056 -11.421 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 114 6.263 -12.015 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 114 3.912 -12.720 -3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.984 -13.740 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 114 3.981 -12.491 -1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.468 -10.345 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 114 4.561 -10.020 -1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 114 5.945 -9.638 -2.833 1.00 0.00 H new ATOM 1728 N GLU A 115 7.271 -13.544 0.281 1.00 0.00 N ATOM 1729 CA GLU A 115 7.754 -14.875 0.627 1.00 0.00 C ATOM 1730 C GLU A 115 6.762 -15.946 0.181 1.00 0.00 C ATOM 1731 O GLU A 115 5.567 -15.854 0.459 1.00 0.00 O ATOM 1732 CB GLU A 115 7.992 -14.981 2.135 1.00 0.00 C ATOM 1733 CG GLU A 115 9.203 -14.200 2.616 1.00 0.00 C ATOM 1734 CD GLU A 115 9.609 -14.566 4.030 1.00 0.00 C ATOM 1735 OE1 GLU A 115 9.006 -14.024 4.980 1.00 0.00 O ATOM 1736 OE2 GLU A 115 10.531 -15.394 4.187 1.00 0.00 O ATOM 0 H GLU A 115 7.057 -12.951 1.083 1.00 0.00 H new ATOM 0 HA GLU A 115 8.698 -15.038 0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.107 -14.622 2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.118 -16.030 2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.040 -14.384 1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.985 -13.133 2.569 1.00 0.00 H new ATOM 1743 N ALA A 116 7.268 -16.961 -0.512 1.00 0.00 N ATOM 1744 CA ALA A 116 6.429 -18.050 -0.995 1.00 0.00 C ATOM 1745 C ALA A 116 6.313 -19.158 0.046 1.00 0.00 C ATOM 1746 O ALA A 116 7.157 -19.302 0.931 1.00 0.00 O ATOM 1747 CB ALA A 116 6.982 -18.605 -2.300 1.00 0.00 C ATOM 0 H ALA A 116 8.255 -17.051 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 116 5.431 -17.652 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.345 -19.418 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.006 -17.815 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 116 7.992 -18.980 -2.137 1.00 0.00 H new ATOM 1753 N PRO A 117 5.243 -19.960 -0.058 1.00 0.00 N ATOM 1754 CA PRO A 117 4.992 -21.069 0.867 1.00 0.00 C ATOM 1755 C PRO A 117 5.987 -22.210 0.688 1.00 0.00 C ATOM 1756 O PRO A 117 6.571 -22.375 -0.384 1.00 0.00 O ATOM 1757 CB PRO A 117 3.580 -21.528 0.496 1.00 0.00 C ATOM 1758 CG PRO A 117 3.410 -21.118 -0.926 1.00 0.00 C ATOM 1759 CD PRO A 117 4.196 -19.846 -1.087 1.00 0.00 C ATOM 0 HA PRO A 117 5.096 -20.762 1.908 1.00 0.00 H new ATOM 0 HB2 PRO A 117 3.471 -22.606 0.613 1.00 0.00 H new ATOM 0 HB3 PRO A 117 2.831 -21.060 1.135 1.00 0.00 H new ATOM 0 HG2 PRO A 117 3.776 -21.891 -1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 117 2.358 -20.959 -1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 117 4.622 -19.761 -2.087 1.00 0.00 H new ATOM 0 HD3 PRO A 117 3.573 -18.966 -0.930 1.00 0.00 H new ATOM 1767 N ARG A 118 6.177 -22.995 1.743 1.00 0.00 N ATOM 1768 CA ARG A 118 7.102 -24.121 1.702 1.00 0.00 C ATOM 1769 C ARG A 118 6.838 -24.997 0.481 1.00 0.00 C ATOM 1770 O ARG A 118 7.748 -25.285 -0.297 1.00 0.00 O ATOM 1771 CB ARG A 118 6.981 -24.956 2.978 1.00 0.00 C ATOM 1772 CG ARG A 118 7.766 -24.392 4.151 1.00 0.00 C ATOM 1773 CD ARG A 118 8.119 -25.476 5.158 1.00 0.00 C ATOM 1774 NE ARG A 118 8.587 -24.916 6.423 1.00 0.00 N ATOM 1775 CZ ARG A 118 7.788 -24.328 7.307 1.00 0.00 C ATOM 1776 NH1 ARG A 118 6.488 -24.224 7.064 1.00 0.00 N ATOM 1777 NH2 ARG A 118 8.288 -23.844 8.436 1.00 0.00 N ATOM 0 H ARG A 118 5.702 -22.872 2.637 1.00 0.00 H new ATOM 0 HA ARG A 118 8.115 -23.724 1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.930 -25.028 3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 118 7.327 -25.969 2.773 1.00 0.00 H new ATOM 0 HG2 ARG A 118 8.679 -23.921 3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 118 7.181 -23.615 4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 118 7.245 -26.101 5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 118 8.891 -26.122 4.740 1.00 0.00 H new ATOM 0 HE ARG A 118 9.582 -24.980 6.640 1.00 0.00 H new ATOM 0 HH11 ARG A 118 6.100 -24.596 6.197 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.877 -23.772 7.744 1.00 0.00 H new ATOM 0 HH21 ARG A 118 9.287 -23.923 8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 118 7.674 -23.393 9.114 1.00 0.00 H new TER 1791 ARG A 118