USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 LYS NZ :NH3+ 169:sc= -0.348 (180deg=-0.685) USER MOD Set 1.2: A 99 LYS NZ :NH3+ 180:sc= -0.0101 (180deg=0) USER MOD Set 2.1: A 87 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 90 GLN : amide:sc= -1.46 K(o=-1.5,f=-3.5) USER MOD Set 3.1: A 67 MET CE :methyl 163:sc= -1.14 (180deg=-0.432) USER MOD Set 3.2: A 71 GLN : amide:sc= -1.1 K(o=-2.2,f=-6.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0192 (180deg=-0.184) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.276 K(o=-0.28,f=-1.1!) USER MOD Single : A 21 GLN :FLIP amide:sc= -1.64 F(o=-4.5!,f=-1.6) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=-0.0052) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 37 SER OG : rot 93:sc= 0.602 USER MOD Single : A 38 GLN :FLIP amide:sc= -1.73! C(o=-2.4!,f=-1.7!) USER MOD Single : A 40 TYR OH : rot -130:sc= -0.421 USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= -0.0971 (180deg=-0.404) USER MOD Single : A 55 MET CE :methyl -108:sc= -0.958 (180deg=-5.07!) USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= -0.0504 (180deg=-0.351) USER MOD Single : A 61 SER OG : rot 160:sc= -0.49 USER MOD Single : A 64 SER OG : rot -16:sc= 1.13 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.266 F(o=-0.77,f=-0.27) USER MOD Single : A 77 THR OG1 : rot 73:sc= 0.245 USER MOD Single : A 79 GLN : amide:sc= -7.76! C(o=-7.8!,f=-12!) USER MOD Single : A 80 THR OG1 : rot 0:sc= 0.75 USER MOD Single : A 81 LYS NZ :NH3+ 167:sc= -0.0167 (180deg=-0.219) USER MOD Single : A 82 LYS NZ :NH3+ -145:sc= -0.637 (180deg=-2.54!) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -27:sc= 0.0246 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 166:sc= -0.0488 (180deg=-0.36) USER MOD Single : A 103 THR OG1 : rot -102:sc= 1.28 USER MOD Single : A 104 LYS NZ :NH3+ 164:sc= -0.0518 (180deg=-0.317) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.545 0.858 1.047 1.00 7.33 N ATOM 2 CA MET A 1 22.193 2.104 0.561 1.00 7.27 C ATOM 3 C MET A 1 21.164 3.212 0.369 1.00 6.81 C ATOM 4 O MET A 1 21.455 4.389 0.588 1.00 7.12 O ATOM 5 CB MET A 1 22.920 1.840 -0.760 1.00 7.99 C ATOM 6 CG MET A 1 23.733 3.026 -1.258 1.00 8.65 C ATOM 7 SD MET A 1 25.098 3.446 -0.157 1.00 9.34 S ATOM 8 CE MET A 1 25.817 4.836 -1.028 1.00 9.99 C ATOM 0 H1 MET A 1 22.274 0.194 1.379 1.00 7.33 H new ATOM 0 H2 MET A 1 20.901 1.085 1.831 1.00 7.33 H new ATOM 0 H3 MET A 1 21.006 0.422 0.272 1.00 7.33 H new ATOM 0 HA MET A 1 22.915 2.426 1.312 1.00 7.27 H new ATOM 0 HB2 MET A 1 23.582 0.983 -0.635 1.00 7.99 H new ATOM 0 HB3 MET A 1 22.187 1.568 -1.520 1.00 7.99 H new ATOM 0 HG2 MET A 1 24.127 2.801 -2.249 1.00 8.65 H new ATOM 0 HG3 MET A 1 23.078 3.891 -1.365 1.00 8.65 H new ATOM 0 HE1 MET A 1 26.676 5.210 -0.471 1.00 9.99 H new ATOM 0 HE2 MET A 1 26.138 4.517 -2.020 1.00 9.99 H new ATOM 0 HE3 MET A 1 25.075 5.628 -1.125 1.00 9.99 H new ATOM 20 N ALA A 2 19.958 2.830 -0.042 1.00 6.40 N ATOM 21 CA ALA A 2 18.883 3.791 -0.265 1.00 6.31 C ATOM 22 C ALA A 2 17.517 3.152 -0.038 1.00 5.60 C ATOM 23 O ALA A 2 16.827 3.471 0.930 1.00 5.72 O ATOM 24 CB ALA A 2 18.971 4.363 -1.672 1.00 6.96 C ATOM 0 H ALA A 2 19.701 1.861 -0.227 1.00 6.40 H new ATOM 0 HA ALA A 2 19.000 4.601 0.455 1.00 6.31 H new ATOM 0 HB1 ALA A 2 18.163 5.079 -1.825 1.00 6.96 H new ATOM 0 HB2 ALA A 2 19.930 4.865 -1.801 1.00 6.96 H new ATOM 0 HB3 ALA A 2 18.883 3.556 -2.399 1.00 6.96 H new ATOM 30 N ALA A 3 17.133 2.247 -0.934 1.00 5.19 N ATOM 31 CA ALA A 3 15.849 1.563 -0.831 1.00 4.77 C ATOM 32 C ALA A 3 15.820 0.622 0.366 1.00 4.00 C ATOM 33 O ALA A 3 16.825 0.447 1.055 1.00 4.10 O ATOM 34 CB ALA A 3 15.552 0.798 -2.112 1.00 5.44 C ATOM 0 H ALA A 3 17.694 1.971 -1.740 1.00 5.19 H new ATOM 0 HA ALA A 3 15.077 2.318 -0.684 1.00 4.77 H new ATOM 0 HB1 ALA A 3 14.591 0.293 -2.020 1.00 5.44 H new ATOM 0 HB2 ALA A 3 15.518 1.493 -2.951 1.00 5.44 H new ATOM 0 HB3 ALA A 3 16.335 0.059 -2.284 1.00 5.44 H new ATOM 40 N GLY A 4 14.662 0.016 0.606 1.00 3.77 N ATOM 41 CA GLY A 4 14.520 -0.897 1.724 1.00 3.60 C ATOM 42 C GLY A 4 14.427 -0.170 3.051 1.00 3.08 C ATOM 43 O GLY A 4 14.639 1.041 3.117 1.00 3.63 O ATOM 0 H GLY A 4 13.819 0.141 0.046 1.00 3.77 H new ATOM 0 HA2 GLY A 4 13.627 -1.506 1.582 1.00 3.60 H new ATOM 0 HA3 GLY A 4 15.370 -1.579 1.744 1.00 3.60 H new ATOM 47 N GLU A 5 14.106 -0.910 4.108 1.00 2.62 N ATOM 48 CA GLU A 5 13.985 -0.332 5.443 1.00 2.68 C ATOM 49 C GLU A 5 12.927 0.769 5.470 1.00 2.07 C ATOM 50 O GLU A 5 12.873 1.567 6.405 1.00 2.47 O ATOM 51 CB GLU A 5 15.333 0.227 5.905 1.00 3.54 C ATOM 52 CG GLU A 5 16.425 -0.824 6.004 1.00 4.10 C ATOM 53 CD GLU A 5 17.744 -0.253 6.487 1.00 4.75 C ATOM 54 OE1 GLU A 5 18.501 0.282 5.651 1.00 5.19 O ATOM 55 OE2 GLU A 5 18.018 -0.340 7.702 1.00 5.15 O ATOM 0 H GLU A 5 13.925 -1.913 4.066 1.00 2.62 H new ATOM 0 HA GLU A 5 13.675 -1.123 6.125 1.00 2.68 H new ATOM 0 HB2 GLU A 5 15.651 1.005 5.211 1.00 3.54 H new ATOM 0 HB3 GLU A 5 15.206 0.700 6.879 1.00 3.54 H new ATOM 0 HG2 GLU A 5 16.104 -1.613 6.685 1.00 4.10 H new ATOM 0 HG3 GLU A 5 16.569 -1.285 5.027 1.00 4.10 H new ATOM 62 N LEU A 6 12.078 0.797 4.444 1.00 1.67 N ATOM 63 CA LEU A 6 11.020 1.803 4.349 1.00 1.32 C ATOM 64 C LEU A 6 9.856 1.483 5.285 1.00 1.32 C ATOM 65 O LEU A 6 8.725 1.909 5.050 1.00 2.13 O ATOM 66 CB LEU A 6 10.510 1.909 2.908 1.00 1.13 C ATOM 67 CG LEU A 6 10.606 0.627 2.075 1.00 1.02 C ATOM 68 CD1 LEU A 6 9.840 -0.510 2.735 1.00 1.73 C ATOM 69 CD2 LEU A 6 10.085 0.869 0.666 1.00 1.32 C ATOM 0 H LEU A 6 12.101 0.136 3.668 1.00 1.67 H new ATOM 0 HA LEU A 6 11.449 2.758 4.652 1.00 1.32 H new ATOM 0 HB2 LEU A 6 9.468 2.227 2.933 1.00 1.13 H new ATOM 0 HB3 LEU A 6 11.071 2.694 2.400 1.00 1.13 H new ATOM 0 HG LEU A 6 11.656 0.340 2.015 1.00 1.02 H new ATOM 0 HD11 LEU A 6 9.924 -1.408 2.124 1.00 1.73 H new ATOM 0 HD12 LEU A 6 10.256 -0.704 3.724 1.00 1.73 H new ATOM 0 HD13 LEU A 6 8.790 -0.234 2.831 1.00 1.73 H new ATOM 0 HD21 LEU A 6 10.160 -0.052 0.087 1.00 1.32 H new ATOM 0 HD22 LEU A 6 9.043 1.184 0.713 1.00 1.32 H new ATOM 0 HD23 LEU A 6 10.679 1.648 0.187 1.00 1.32 H new ATOM 81 N GLU A 7 10.149 0.736 6.346 1.00 1.23 N ATOM 82 CA GLU A 7 9.144 0.350 7.335 1.00 1.34 C ATOM 83 C GLU A 7 8.121 -0.608 6.737 1.00 1.46 C ATOM 84 O GLU A 7 7.487 -0.309 5.725 1.00 2.09 O ATOM 85 CB GLU A 7 8.432 1.584 7.897 1.00 1.49 C ATOM 86 CG GLU A 7 9.365 2.583 8.559 1.00 1.34 C ATOM 87 CD GLU A 7 10.084 2.002 9.761 1.00 1.95 C ATOM 88 OE1 GLU A 7 11.185 1.440 9.579 1.00 2.64 O ATOM 89 OE2 GLU A 7 9.547 2.109 10.883 1.00 2.22 O ATOM 0 H GLU A 7 11.085 0.382 6.545 1.00 1.23 H new ATOM 0 HA GLU A 7 9.663 -0.160 8.147 1.00 1.34 H new ATOM 0 HB2 GLU A 7 7.896 2.082 7.089 1.00 1.49 H new ATOM 0 HB3 GLU A 7 7.686 1.262 8.623 1.00 1.49 H new ATOM 0 HG2 GLU A 7 10.100 2.925 7.831 1.00 1.34 H new ATOM 0 HG3 GLU A 7 8.793 3.457 8.870 1.00 1.34 H new ATOM 96 N GLY A 8 7.966 -1.765 7.373 1.00 1.36 N ATOM 97 CA GLY A 8 7.019 -2.754 6.898 1.00 1.61 C ATOM 98 C GLY A 8 6.083 -3.223 7.995 1.00 1.17 C ATOM 99 O GLY A 8 5.271 -4.124 7.786 1.00 1.38 O ATOM 0 H GLY A 8 8.481 -2.035 8.211 1.00 1.36 H new ATOM 0 HA2 GLY A 8 6.435 -2.332 6.080 1.00 1.61 H new ATOM 0 HA3 GLY A 8 7.561 -3.609 6.495 1.00 1.61 H new ATOM 103 N GLY A 9 6.197 -2.604 9.167 1.00 1.01 N ATOM 104 CA GLY A 9 5.357 -2.979 10.290 1.00 1.09 C ATOM 105 C GLY A 9 4.001 -2.298 10.277 1.00 1.08 C ATOM 106 O GLY A 9 2.968 -2.965 10.216 1.00 1.26 O ATOM 0 H GLY A 9 6.856 -1.850 9.358 1.00 1.01 H new ATOM 0 HA2 GLY A 9 5.214 -4.060 10.283 1.00 1.09 H new ATOM 0 HA3 GLY A 9 5.872 -2.732 11.219 1.00 1.09 H new ATOM 110 N LYS A 10 4.000 -0.968 10.340 1.00 1.12 N ATOM 111 CA LYS A 10 2.751 -0.206 10.352 1.00 1.33 C ATOM 112 C LYS A 10 2.652 0.771 9.172 1.00 1.14 C ATOM 113 O LYS A 10 1.631 0.799 8.485 1.00 1.22 O ATOM 114 CB LYS A 10 2.602 0.552 11.674 1.00 1.68 C ATOM 115 CG LYS A 10 2.654 -0.341 12.904 1.00 2.23 C ATOM 116 CD LYS A 10 1.428 -1.236 12.999 1.00 3.07 C ATOM 117 CE LYS A 10 1.491 -2.136 14.223 1.00 3.89 C ATOM 118 NZ LYS A 10 0.244 -2.931 14.396 1.00 4.57 N ATOM 0 H LYS A 10 4.844 -0.397 10.383 1.00 1.12 H new ATOM 0 HA LYS A 10 1.937 -0.924 10.250 1.00 1.33 H new ATOM 0 HB2 LYS A 10 3.393 1.298 11.745 1.00 1.68 H new ATOM 0 HB3 LYS A 10 1.655 1.091 11.668 1.00 1.68 H new ATOM 0 HG2 LYS A 10 3.553 -0.957 12.869 1.00 2.23 H new ATOM 0 HG3 LYS A 10 2.725 0.276 13.800 1.00 2.23 H new ATOM 0 HD2 LYS A 10 0.529 -0.621 13.044 1.00 3.07 H new ATOM 0 HD3 LYS A 10 1.351 -1.847 12.100 1.00 3.07 H new ATOM 0 HE2 LYS A 10 2.342 -2.811 14.133 1.00 3.89 H new ATOM 0 HE3 LYS A 10 1.659 -1.528 15.112 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 0.329 -3.531 15.241 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 -0.565 -2.287 14.508 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 0.096 -3.531 13.560 1.00 4.57 H new ATOM 132 N PRO A 11 3.693 1.598 8.918 1.00 1.03 N ATOM 133 CA PRO A 11 3.671 2.569 7.814 1.00 1.05 C ATOM 134 C PRO A 11 3.469 1.916 6.447 1.00 0.77 C ATOM 135 O PRO A 11 3.188 2.596 5.461 1.00 0.72 O ATOM 136 CB PRO A 11 5.051 3.235 7.886 1.00 1.20 C ATOM 137 CG PRO A 11 5.511 3.006 9.282 1.00 1.49 C ATOM 138 CD PRO A 11 4.957 1.668 9.675 1.00 1.15 C ATOM 0 HA PRO A 11 2.838 3.265 7.917 1.00 1.05 H new ATOM 0 HB2 PRO A 11 5.740 2.795 7.165 1.00 1.20 H new ATOM 0 HB3 PRO A 11 4.989 4.299 7.660 1.00 1.20 H new ATOM 0 HG2 PRO A 11 6.599 3.013 9.342 1.00 1.49 H new ATOM 0 HG3 PRO A 11 5.150 3.790 9.947 1.00 1.49 H new ATOM 0 HD2 PRO A 11 5.634 0.856 9.407 1.00 1.15 H new ATOM 0 HD3 PRO A 11 4.788 1.601 10.750 1.00 1.15 H new ATOM 146 N LEU A 12 3.609 0.597 6.392 1.00 0.70 N ATOM 147 CA LEU A 12 3.440 -0.135 5.140 1.00 0.57 C ATOM 148 C LEU A 12 1.962 -0.355 4.830 1.00 0.48 C ATOM 149 O LEU A 12 1.594 -0.647 3.693 1.00 0.53 O ATOM 150 CB LEU A 12 4.171 -1.475 5.199 1.00 0.61 C ATOM 151 CG LEU A 12 4.287 -2.201 3.859 1.00 0.58 C ATOM 152 CD1 LEU A 12 5.480 -1.684 3.073 1.00 1.01 C ATOM 153 CD2 LEU A 12 4.393 -3.702 4.073 1.00 0.91 C ATOM 0 H LEU A 12 3.838 0.013 7.196 1.00 0.70 H new ATOM 0 HA LEU A 12 3.872 0.466 4.340 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.173 -1.309 5.594 1.00 0.61 H new ATOM 0 HB3 LEU A 12 3.653 -2.125 5.905 1.00 0.61 H new ATOM 0 HG LEU A 12 3.385 -2.002 3.280 1.00 0.58 H new ATOM 0 HD11 LEU A 12 5.546 -2.213 2.122 1.00 1.01 H new ATOM 0 HD12 LEU A 12 5.358 -0.617 2.887 1.00 1.01 H new ATOM 0 HD13 LEU A 12 6.393 -1.851 3.645 1.00 1.01 H new ATOM 0 HD21 LEU A 12 4.475 -4.202 3.108 1.00 0.91 H new ATOM 0 HD22 LEU A 12 5.276 -3.923 4.672 1.00 0.91 H new ATOM 0 HD23 LEU A 12 3.504 -4.059 4.593 1.00 0.91 H new ATOM 165 N SER A 13 1.118 -0.231 5.849 1.00 0.52 N ATOM 166 CA SER A 13 -0.320 -0.404 5.674 1.00 0.61 C ATOM 167 C SER A 13 -0.911 0.773 4.909 1.00 0.58 C ATOM 168 O SER A 13 -1.794 0.603 4.068 1.00 0.69 O ATOM 169 CB SER A 13 -1.010 -0.540 7.030 1.00 0.78 C ATOM 170 OG SER A 13 -2.410 -0.703 6.877 1.00 1.39 O ATOM 0 H SER A 13 1.404 -0.012 6.803 1.00 0.52 H new ATOM 0 HA SER A 13 -0.486 -1.316 5.100 1.00 0.61 H new ATOM 0 HB2 SER A 13 -0.598 -1.394 7.567 1.00 0.78 H new ATOM 0 HB3 SER A 13 -0.808 0.344 7.635 1.00 0.78 H new ATOM 0 HG SER A 13 -2.828 -0.789 7.759 1.00 1.39 H new ATOM 176 N GLY A 14 -0.413 1.968 5.211 1.00 0.56 N ATOM 177 CA GLY A 14 -0.894 3.163 4.545 1.00 0.59 C ATOM 178 C GLY A 14 -0.146 3.442 3.260 1.00 0.55 C ATOM 179 O GLY A 14 -0.198 4.548 2.728 1.00 0.58 O ATOM 0 H GLY A 14 0.316 2.129 5.906 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -1.957 3.053 4.328 1.00 0.59 H new ATOM 0 HA3 GLY A 14 -0.792 4.016 5.215 1.00 0.59 H new ATOM 183 N LEU A 15 0.565 2.438 2.772 1.00 0.52 N ATOM 184 CA LEU A 15 1.323 2.565 1.536 1.00 0.52 C ATOM 185 C LEU A 15 0.387 2.804 0.367 1.00 0.46 C ATOM 186 O LEU A 15 0.664 3.613 -0.515 1.00 0.47 O ATOM 187 CB LEU A 15 2.123 1.293 1.304 1.00 0.57 C ATOM 188 CG LEU A 15 3.645 1.459 1.256 1.00 0.69 C ATOM 189 CD1 LEU A 15 4.065 2.104 -0.052 1.00 0.97 C ATOM 190 CD2 LEU A 15 4.136 2.284 2.438 1.00 1.10 C ATOM 0 H LEU A 15 0.633 1.522 3.215 1.00 0.52 H new ATOM 0 HA LEU A 15 2.001 3.414 1.618 1.00 0.52 H new ATOM 0 HB2 LEU A 15 1.879 0.584 2.095 1.00 0.57 H new ATOM 0 HB3 LEU A 15 1.796 0.847 0.365 1.00 0.57 H new ATOM 0 HG LEU A 15 4.099 0.470 1.319 1.00 0.69 H new ATOM 0 HD11 LEU A 15 5.149 2.215 -0.071 1.00 0.97 H new ATOM 0 HD12 LEU A 15 3.750 1.476 -0.885 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.598 3.085 -0.140 1.00 0.97 H new ATOM 0 HD21 LEU A 15 5.220 2.389 2.383 1.00 1.10 H new ATOM 0 HD22 LEU A 15 3.674 3.271 2.410 1.00 1.10 H new ATOM 0 HD23 LEU A 15 3.866 1.784 3.368 1.00 1.10 H new ATOM 202 N LEU A 16 -0.734 2.094 0.379 1.00 0.45 N ATOM 203 CA LEU A 16 -1.726 2.220 -0.676 1.00 0.42 C ATOM 204 C LEU A 16 -2.353 3.605 -0.606 1.00 0.40 C ATOM 205 O LEU A 16 -2.947 4.092 -1.566 1.00 0.41 O ATOM 206 CB LEU A 16 -2.800 1.125 -0.549 1.00 0.47 C ATOM 207 CG LEU A 16 -2.283 -0.318 -0.394 1.00 0.53 C ATOM 208 CD1 LEU A 16 -1.032 -0.548 -1.236 1.00 0.86 C ATOM 209 CD2 LEU A 16 -2.012 -0.648 1.071 1.00 0.92 C ATOM 0 H LEU A 16 -0.977 1.425 1.109 1.00 0.45 H new ATOM 0 HA LEU A 16 -1.242 2.093 -1.644 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -3.428 1.359 0.311 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -3.439 1.167 -1.431 1.00 0.47 H new ATOM 0 HG LEU A 16 -3.062 -0.989 -0.756 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -0.690 -1.575 -1.106 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -1.263 -0.372 -2.287 1.00 0.86 H new ATOM 0 HD13 LEU A 16 -0.248 0.139 -0.917 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -1.648 -1.672 1.152 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -1.261 0.036 1.465 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -2.933 -0.544 1.644 1.00 0.92 H new ATOM 221 N ASN A 17 -2.204 4.224 0.561 1.00 0.40 N ATOM 222 CA ASN A 17 -2.729 5.556 0.821 1.00 0.42 C ATOM 223 C ASN A 17 -1.772 6.637 0.307 1.00 0.38 C ATOM 224 O ASN A 17 -2.146 7.465 -0.524 1.00 0.42 O ATOM 225 CB ASN A 17 -2.951 5.717 2.326 1.00 0.47 C ATOM 226 CG ASN A 17 -3.090 7.166 2.753 1.00 1.38 C ATOM 227 OD1 ASN A 17 -3.598 8.001 2.004 1.00 1.93 O ATOM 228 ND2 ASN A 17 -2.638 7.473 3.964 1.00 2.33 N ATOM 0 H ASN A 17 -1.713 3.812 1.355 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.675 5.674 0.292 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -3.849 5.171 2.616 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -2.116 5.265 2.861 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -2.705 8.432 4.305 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -2.224 6.750 4.552 1.00 2.33 H new ATOM 235 N ALA A 18 -0.539 6.619 0.812 1.00 0.37 N ATOM 236 CA ALA A 18 0.481 7.588 0.413 1.00 0.37 C ATOM 237 C ALA A 18 0.599 7.682 -1.102 1.00 0.38 C ATOM 238 O ALA A 18 0.451 8.756 -1.687 1.00 0.44 O ATOM 239 CB ALA A 18 1.825 7.202 0.999 1.00 0.42 C ATOM 0 H ALA A 18 -0.221 5.939 1.503 1.00 0.37 H new ATOM 0 HA ALA A 18 0.177 8.563 0.795 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.577 7.930 0.695 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.756 7.184 2.087 1.00 0.42 H new ATOM 0 HB3 ALA A 18 2.110 6.214 0.637 1.00 0.42 H new ATOM 245 N LEU A 19 0.872 6.542 -1.726 1.00 0.42 N ATOM 246 CA LEU A 19 1.033 6.465 -3.173 1.00 0.48 C ATOM 247 C LEU A 19 -0.186 7.012 -3.909 1.00 0.52 C ATOM 248 O LEU A 19 -0.053 7.672 -4.938 1.00 0.69 O ATOM 249 CB LEU A 19 1.271 5.017 -3.587 1.00 0.51 C ATOM 250 CG LEU A 19 2.382 4.297 -2.825 1.00 0.61 C ATOM 251 CD1 LEU A 19 2.216 2.793 -2.956 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.746 4.736 -3.333 1.00 0.94 C ATOM 0 H LEU A 19 0.987 5.649 -1.246 1.00 0.42 H new ATOM 0 HA LEU A 19 1.892 7.079 -3.445 1.00 0.48 H new ATOM 0 HB2 LEU A 19 0.343 4.461 -3.455 1.00 0.51 H new ATOM 0 HB3 LEU A 19 1.508 4.994 -4.651 1.00 0.51 H new ATOM 0 HG LEU A 19 2.312 4.561 -1.770 1.00 0.61 H new ATOM 0 HD11 LEU A 19 3.013 2.290 -2.409 1.00 0.77 H new ATOM 0 HD12 LEU A 19 1.251 2.496 -2.545 1.00 0.77 H new ATOM 0 HD13 LEU A 19 2.264 2.512 -4.008 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.526 4.213 -2.779 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.833 4.499 -4.393 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.858 5.811 -3.191 1.00 0.94 H new ATOM 264 N ALA A 20 -1.373 6.729 -3.382 1.00 0.54 N ATOM 265 CA ALA A 20 -2.609 7.187 -4.004 1.00 0.64 C ATOM 266 C ALA A 20 -2.765 8.699 -3.896 1.00 0.78 C ATOM 267 O ALA A 20 -3.425 9.204 -2.986 1.00 1.59 O ATOM 268 CB ALA A 20 -3.811 6.485 -3.392 1.00 0.76 C ATOM 0 H ALA A 20 -1.504 6.186 -2.528 1.00 0.54 H new ATOM 0 HA ALA A 20 -2.556 6.933 -5.063 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.723 6.841 -3.871 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -3.719 5.409 -3.542 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.853 6.700 -2.324 1.00 0.76 H new ATOM 274 N GLN A 21 -2.141 9.418 -4.823 1.00 0.71 N ATOM 275 CA GLN A 21 -2.223 10.873 -4.852 1.00 0.81 C ATOM 276 C GLN A 21 -3.499 11.310 -5.560 1.00 1.05 C ATOM 277 O GLN A 21 -3.484 12.229 -6.381 1.00 1.54 O ATOM 278 CB GLN A 21 -1.002 11.457 -5.565 1.00 1.12 C ATOM 279 CG GLN A 21 0.316 10.877 -5.086 1.00 1.08 C ATOM 280 CD GLN A 21 1.492 11.316 -5.934 1.00 1.24 C ATOM 281 OE1 GLN A 21 2.672 11.359 -5.328 1.00 1.87 O flip ATOM 282 NE2 GLN A 21 1.344 11.605 -7.121 1.00 1.21 N flip ATOM 0 H GLN A 21 -1.571 9.015 -5.567 1.00 0.71 H new ATOM 0 HA GLN A 21 -2.242 11.244 -3.827 1.00 0.81 H new ATOM 0 HB2 GLN A 21 -1.099 11.281 -6.636 1.00 1.12 H new ATOM 0 HB3 GLN A 21 -0.989 12.537 -5.419 1.00 1.12 H new ATOM 0 HG2 GLN A 21 0.486 11.178 -4.052 1.00 1.08 H new ATOM 0 HG3 GLN A 21 0.254 9.789 -5.095 1.00 1.08 H new ATOM 0 HE21 GLN A 21 0.418 11.558 -7.546 1.00 1.21 H new ATOM 0 HE22 GLN A 21 2.147 11.892 -7.680 1.00 1.21 H new ATOM 291 N ASP A 22 -4.603 10.640 -5.233 1.00 1.63 N ATOM 292 CA ASP A 22 -5.898 10.933 -5.836 1.00 2.08 C ATOM 293 C ASP A 22 -5.879 10.626 -7.328 1.00 1.93 C ATOM 294 O ASP A 22 -5.448 11.447 -8.138 1.00 2.22 O ATOM 295 CB ASP A 22 -6.291 12.393 -5.604 1.00 2.77 C ATOM 296 CG ASP A 22 -7.601 12.746 -6.277 1.00 3.37 C ATOM 297 OD1 ASP A 22 -7.570 13.174 -7.450 1.00 3.59 O ATOM 298 OD2 ASP A 22 -8.658 12.598 -5.630 1.00 4.03 O ATOM 0 H ASP A 22 -4.624 9.885 -4.548 1.00 1.63 H new ATOM 0 HA ASP A 22 -6.641 10.295 -5.358 1.00 2.08 H new ATOM 0 HB2 ASP A 22 -6.373 12.580 -4.533 1.00 2.77 H new ATOM 0 HB3 ASP A 22 -5.503 13.044 -5.982 1.00 2.77 H new ATOM 303 N THR A 23 -6.342 9.433 -7.682 1.00 1.87 N ATOM 304 CA THR A 23 -6.380 9.006 -9.074 1.00 2.12 C ATOM 305 C THR A 23 -7.605 9.566 -9.788 1.00 2.28 C ATOM 306 O THR A 23 -7.689 9.529 -11.017 1.00 2.68 O ATOM 307 CB THR A 23 -6.389 7.469 -9.188 1.00 2.43 C ATOM 308 OG1 THR A 23 -7.637 6.951 -8.710 1.00 3.06 O ATOM 309 CG2 THR A 23 -5.243 6.859 -8.391 1.00 2.29 C ATOM 0 H THR A 23 -6.697 8.742 -7.021 1.00 1.87 H new ATOM 0 HA THR A 23 -5.479 9.393 -9.550 1.00 2.12 H new ATOM 0 HB THR A 23 -6.262 7.204 -10.238 1.00 2.43 H new ATOM 0 HG1 THR A 23 -7.637 5.974 -8.787 1.00 3.06 H new ATOM 0 HG21 THR A 23 -5.270 5.774 -8.487 1.00 2.29 H new ATOM 0 HG22 THR A 23 -4.294 7.233 -8.774 1.00 2.29 H new ATOM 0 HG23 THR A 23 -5.344 7.133 -7.341 1.00 2.29 H new ATOM 317 N PHE A 24 -8.556 10.083 -9.013 1.00 2.25 N ATOM 318 CA PHE A 24 -9.780 10.647 -9.576 1.00 2.54 C ATOM 319 C PHE A 24 -9.470 11.825 -10.495 1.00 2.79 C ATOM 320 O PHE A 24 -9.654 11.740 -11.709 1.00 3.49 O ATOM 321 CB PHE A 24 -10.726 11.097 -8.460 1.00 2.58 C ATOM 322 CG PHE A 24 -11.192 9.977 -7.573 1.00 2.99 C ATOM 323 CD1 PHE A 24 -12.248 9.167 -7.957 1.00 3.46 C ATOM 324 CD2 PHE A 24 -10.570 9.733 -6.358 1.00 3.42 C ATOM 325 CE1 PHE A 24 -12.676 8.133 -7.146 1.00 4.14 C ATOM 326 CE2 PHE A 24 -10.994 8.701 -5.543 1.00 4.26 C ATOM 327 CZ PHE A 24 -12.056 7.910 -5.929 1.00 4.53 C ATOM 0 H PHE A 24 -8.503 10.123 -7.995 1.00 2.25 H new ATOM 0 HA PHE A 24 -10.265 9.867 -10.163 1.00 2.54 H new ATOM 0 HB2 PHE A 24 -10.222 11.846 -7.849 1.00 2.58 H new ATOM 0 HB3 PHE A 24 -11.595 11.581 -8.906 1.00 2.58 H new ATOM 0 HD1 PHE A 24 -12.742 9.345 -8.901 1.00 3.46 H new ATOM 0 HD2 PHE A 24 -9.745 10.356 -6.045 1.00 3.42 H new ATOM 0 HE1 PHE A 24 -13.493 7.500 -7.461 1.00 4.14 H new ATOM 0 HE2 PHE A 24 -10.494 8.514 -4.604 1.00 4.26 H new ATOM 0 HZ PHE A 24 -12.403 7.118 -5.282 1.00 4.53 H new ATOM 337 N HIS A 25 -9.003 12.924 -9.909 1.00 2.92 N ATOM 338 CA HIS A 25 -8.672 14.119 -10.678 1.00 3.82 C ATOM 339 C HIS A 25 -7.745 15.043 -9.893 1.00 4.29 C ATOM 340 O HIS A 25 -6.605 15.278 -10.294 1.00 5.21 O ATOM 341 CB HIS A 25 -9.949 14.869 -11.063 1.00 4.09 C ATOM 342 CG HIS A 25 -9.719 16.000 -12.019 1.00 4.34 C ATOM 343 ND1 HIS A 25 -9.908 15.885 -13.381 1.00 4.48 N ATOM 344 CD2 HIS A 25 -9.316 17.276 -11.805 1.00 4.95 C ATOM 345 CE1 HIS A 25 -9.632 17.039 -13.962 1.00 5.04 C ATOM 346 NE2 HIS A 25 -9.271 17.899 -13.028 1.00 5.34 N ATOM 0 H HIS A 25 -8.845 13.011 -8.905 1.00 2.92 H new ATOM 0 HA HIS A 25 -8.152 13.802 -11.582 1.00 3.82 H new ATOM 0 HB2 HIS A 25 -10.652 14.166 -11.509 1.00 4.09 H new ATOM 0 HB3 HIS A 25 -10.417 15.259 -10.159 1.00 4.09 H new ATOM 0 HD2 HIS A 25 -9.075 17.720 -10.851 1.00 4.95 H new ATOM 0 HE1 HIS A 25 -9.692 17.244 -15.021 1.00 5.04 H new ATOM 0 HE2 HIS A 25 -9.002 18.870 -13.189 1.00 5.34 H new ATOM 355 N GLY A 26 -8.241 15.567 -8.774 1.00 3.87 N ATOM 356 CA GLY A 26 -7.441 16.464 -7.957 1.00 4.35 C ATOM 357 C GLY A 26 -7.267 15.974 -6.535 1.00 3.82 C ATOM 358 O GLY A 26 -8.219 15.509 -5.906 1.00 3.81 O ATOM 0 H GLY A 26 -9.180 15.387 -8.419 1.00 3.87 H new ATOM 0 HA2 GLY A 26 -6.460 16.586 -8.416 1.00 4.35 H new ATOM 0 HA3 GLY A 26 -7.910 17.448 -7.941 1.00 4.35 H new ATOM 362 N TYR A 27 -6.045 16.087 -6.029 1.00 3.61 N ATOM 363 CA TYR A 27 -5.730 15.655 -4.674 1.00 3.21 C ATOM 364 C TYR A 27 -6.048 16.757 -3.661 1.00 2.51 C ATOM 365 O TYR A 27 -5.711 17.921 -3.879 1.00 2.56 O ATOM 366 CB TYR A 27 -4.253 15.261 -4.574 1.00 3.64 C ATOM 367 CG TYR A 27 -3.299 16.333 -5.058 1.00 4.16 C ATOM 368 CD1 TYR A 27 -2.960 16.434 -6.402 1.00 4.26 C ATOM 369 CD2 TYR A 27 -2.741 17.243 -4.169 1.00 4.99 C ATOM 370 CE1 TYR A 27 -2.089 17.411 -6.846 1.00 5.19 C ATOM 371 CE2 TYR A 27 -1.869 18.222 -4.606 1.00 5.76 C ATOM 372 CZ TYR A 27 -1.547 18.300 -5.949 1.00 5.88 C ATOM 373 OH TYR A 27 -0.678 19.275 -6.382 1.00 6.91 O ATOM 0 H TYR A 27 -5.253 16.476 -6.540 1.00 3.61 H new ATOM 0 HA TYR A 27 -6.347 14.787 -4.442 1.00 3.21 H new ATOM 0 HB2 TYR A 27 -4.020 15.022 -3.536 1.00 3.64 H new ATOM 0 HB3 TYR A 27 -4.089 14.353 -5.154 1.00 3.64 H new ATOM 0 HD1 TYR A 27 -3.384 15.738 -7.111 1.00 4.26 H new ATOM 0 HD2 TYR A 27 -2.992 17.184 -3.120 1.00 4.99 H new ATOM 0 HE1 TYR A 27 -1.835 17.476 -7.894 1.00 5.19 H new ATOM 0 HE2 TYR A 27 -1.442 18.922 -3.903 1.00 5.76 H new ATOM 0 HH TYR A 27 -0.390 19.818 -5.619 1.00 6.91 H new ATOM 383 N PRO A 28 -6.706 16.405 -2.538 1.00 2.25 N ATOM 384 CA PRO A 28 -7.059 17.377 -1.499 1.00 2.05 C ATOM 385 C PRO A 28 -5.865 17.743 -0.626 1.00 1.79 C ATOM 386 O PRO A 28 -5.740 18.880 -0.170 1.00 2.41 O ATOM 387 CB PRO A 28 -8.114 16.638 -0.679 1.00 2.45 C ATOM 388 CG PRO A 28 -7.759 15.199 -0.819 1.00 2.79 C ATOM 389 CD PRO A 28 -7.162 15.043 -2.194 1.00 2.71 C ATOM 0 HA PRO A 28 -7.406 18.322 -1.917 1.00 2.05 H new ATOM 0 HB2 PRO A 28 -8.095 16.951 0.365 1.00 2.45 H new ATOM 0 HB3 PRO A 28 -9.118 16.837 -1.054 1.00 2.45 H new ATOM 0 HG2 PRO A 28 -7.048 14.897 -0.050 1.00 2.79 H new ATOM 0 HG3 PRO A 28 -8.640 14.568 -0.704 1.00 2.79 H new ATOM 0 HD2 PRO A 28 -6.335 14.333 -2.193 1.00 2.71 H new ATOM 0 HD3 PRO A 28 -7.897 14.675 -2.910 1.00 2.71 H new ATOM 397 N GLY A 29 -4.992 16.768 -0.397 1.00 1.45 N ATOM 398 CA GLY A 29 -3.816 16.995 0.421 1.00 1.37 C ATOM 399 C GLY A 29 -2.847 15.830 0.372 1.00 1.15 C ATOM 400 O GLY A 29 -2.411 15.332 1.410 1.00 1.42 O ATOM 0 H GLY A 29 -5.079 15.821 -0.765 1.00 1.45 H new ATOM 0 HA2 GLY A 29 -3.310 17.900 0.083 1.00 1.37 H new ATOM 0 HA3 GLY A 29 -4.122 17.167 1.453 1.00 1.37 H new ATOM 404 N ILE A 30 -2.510 15.395 -0.838 1.00 1.02 N ATOM 405 CA ILE A 30 -1.587 14.281 -1.022 1.00 0.84 C ATOM 406 C ILE A 30 -0.738 14.473 -2.281 1.00 0.87 C ATOM 407 O ILE A 30 -1.254 14.476 -3.399 1.00 1.18 O ATOM 408 CB ILE A 30 -2.341 12.933 -1.098 1.00 0.87 C ATOM 409 CG1 ILE A 30 -1.364 11.777 -1.329 1.00 0.77 C ATOM 410 CG2 ILE A 30 -3.403 12.963 -2.189 1.00 1.08 C ATOM 411 CD1 ILE A 30 -0.528 11.438 -0.113 1.00 0.75 C ATOM 0 H ILE A 30 -2.863 15.798 -1.706 1.00 1.02 H new ATOM 0 HA ILE A 30 -0.928 14.260 -0.154 1.00 0.84 H new ATOM 0 HB ILE A 30 -2.841 12.774 -0.143 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -1.925 10.893 -1.632 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -0.701 12.032 -2.156 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -3.918 12.003 -2.221 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -4.122 13.754 -1.975 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -2.930 13.153 -3.152 1.00 1.08 H new ATOM 0 HD11 ILE A 30 0.141 10.610 -0.350 1.00 0.75 H new ATOM 0 HD12 ILE A 30 0.061 12.308 0.178 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -1.183 11.151 0.710 1.00 0.75 H new ATOM 423 N THR A 31 0.568 14.644 -2.089 1.00 0.88 N ATOM 424 CA THR A 31 1.486 14.835 -3.208 1.00 0.97 C ATOM 425 C THR A 31 2.678 13.888 -3.100 1.00 0.86 C ATOM 426 O THR A 31 2.738 13.055 -2.197 1.00 0.78 O ATOM 427 CB THR A 31 1.991 16.291 -3.286 1.00 1.07 C ATOM 428 OG1 THR A 31 2.747 16.489 -4.487 1.00 1.72 O ATOM 429 CG2 THR A 31 2.851 16.636 -2.081 1.00 1.06 C ATOM 0 H THR A 31 1.013 14.654 -1.171 1.00 0.88 H new ATOM 0 HA THR A 31 0.931 14.612 -4.119 1.00 0.97 H new ATOM 0 HB THR A 31 1.121 16.948 -3.292 1.00 1.07 H new ATOM 0 HG1 THR A 31 3.061 17.417 -4.527 1.00 1.72 H new ATOM 0 HG21 THR A 31 3.193 17.668 -2.162 1.00 1.06 H new ATOM 0 HG22 THR A 31 2.264 16.519 -1.170 1.00 1.06 H new ATOM 0 HG23 THR A 31 3.713 15.969 -2.046 1.00 1.06 H new ATOM 437 N GLU A 32 3.625 14.020 -4.026 1.00 0.93 N ATOM 438 CA GLU A 32 4.811 13.169 -4.036 1.00 0.95 C ATOM 439 C GLU A 32 5.620 13.325 -2.753 1.00 0.84 C ATOM 440 O GLU A 32 6.044 12.337 -2.152 1.00 0.91 O ATOM 441 CB GLU A 32 5.693 13.497 -5.242 1.00 1.15 C ATOM 442 CG GLU A 32 5.012 13.280 -6.583 1.00 1.47 C ATOM 443 CD GLU A 32 5.914 13.608 -7.756 1.00 1.59 C ATOM 444 OE1 GLU A 32 6.666 12.713 -8.196 1.00 1.56 O ATOM 445 OE2 GLU A 32 5.871 14.761 -8.234 1.00 1.98 O ATOM 0 H GLU A 32 3.594 14.708 -4.778 1.00 0.93 H new ATOM 0 HA GLU A 32 4.472 12.135 -4.105 1.00 0.95 H new ATOM 0 HB2 GLU A 32 6.013 14.537 -5.173 1.00 1.15 H new ATOM 0 HB3 GLU A 32 6.592 12.883 -5.199 1.00 1.15 H new ATOM 0 HG2 GLU A 32 4.688 12.242 -6.658 1.00 1.47 H new ATOM 0 HG3 GLU A 32 4.116 13.898 -6.635 1.00 1.47 H new ATOM 452 N GLU A 33 5.836 14.569 -2.342 1.00 0.80 N ATOM 453 CA GLU A 33 6.607 14.853 -1.136 1.00 0.79 C ATOM 454 C GLU A 33 5.924 14.293 0.108 1.00 0.64 C ATOM 455 O GLU A 33 6.581 14.022 1.114 1.00 0.70 O ATOM 456 CB GLU A 33 6.812 16.361 -0.985 1.00 0.97 C ATOM 457 CG GLU A 33 7.510 17.000 -2.176 1.00 1.63 C ATOM 458 CD GLU A 33 7.672 18.499 -2.019 1.00 2.05 C ATOM 459 OE1 GLU A 33 6.727 19.238 -2.366 1.00 2.64 O ATOM 460 OE2 GLU A 33 8.745 18.934 -1.549 1.00 2.36 O ATOM 0 H GLU A 33 5.489 15.397 -2.825 1.00 0.80 H new ATOM 0 HA GLU A 33 7.576 14.365 -1.237 1.00 0.79 H new ATOM 0 HB2 GLU A 33 5.843 16.839 -0.842 1.00 0.97 H new ATOM 0 HB3 GLU A 33 7.397 16.552 -0.085 1.00 0.97 H new ATOM 0 HG2 GLU A 33 8.491 16.543 -2.306 1.00 1.63 H new ATOM 0 HG3 GLU A 33 6.940 16.792 -3.081 1.00 1.63 H new ATOM 467 N LEU A 34 4.607 14.118 0.039 1.00 0.54 N ATOM 468 CA LEU A 34 3.850 13.593 1.173 1.00 0.49 C ATOM 469 C LEU A 34 3.876 12.074 1.214 1.00 0.43 C ATOM 470 O LEU A 34 4.086 11.485 2.271 1.00 0.46 O ATOM 471 CB LEU A 34 2.399 14.078 1.127 1.00 0.57 C ATOM 472 CG LEU A 34 2.089 15.295 1.990 1.00 0.91 C ATOM 473 CD1 LEU A 34 3.129 16.383 1.780 1.00 1.75 C ATOM 474 CD2 LEU A 34 0.691 15.820 1.694 1.00 1.48 C ATOM 0 H LEU A 34 4.044 14.330 -0.785 1.00 0.54 H new ATOM 0 HA LEU A 34 4.329 13.968 2.077 1.00 0.49 H new ATOM 0 HB2 LEU A 34 2.145 14.312 0.093 1.00 0.57 H new ATOM 0 HB3 LEU A 34 1.750 13.259 1.437 1.00 0.57 H new ATOM 0 HG LEU A 34 2.124 14.990 3.036 1.00 0.91 H new ATOM 0 HD11 LEU A 34 2.888 17.242 2.406 1.00 1.75 H new ATOM 0 HD12 LEU A 34 4.114 16.002 2.050 1.00 1.75 H new ATOM 0 HD13 LEU A 34 3.132 16.686 0.733 1.00 1.75 H new ATOM 0 HD21 LEU A 34 0.489 16.689 2.320 1.00 1.48 H new ATOM 0 HD22 LEU A 34 0.624 16.106 0.644 1.00 1.48 H new ATOM 0 HD23 LEU A 34 -0.042 15.042 1.905 1.00 1.48 H new ATOM 486 N LEU A 35 3.651 11.445 0.067 1.00 0.45 N ATOM 487 CA LEU A 35 3.644 9.993 -0.017 1.00 0.49 C ATOM 488 C LEU A 35 4.820 9.400 0.764 1.00 0.43 C ATOM 489 O LEU A 35 4.696 8.350 1.395 1.00 0.50 O ATOM 490 CB LEU A 35 3.674 9.564 -1.491 1.00 0.63 C ATOM 491 CG LEU A 35 5.047 9.179 -2.052 1.00 0.64 C ATOM 492 CD1 LEU A 35 5.333 7.706 -1.807 1.00 0.89 C ATOM 493 CD2 LEU A 35 5.123 9.496 -3.538 1.00 1.08 C ATOM 0 H LEU A 35 3.471 11.920 -0.818 1.00 0.45 H new ATOM 0 HA LEU A 35 2.729 9.610 0.436 1.00 0.49 H new ATOM 0 HB2 LEU A 35 3.002 8.715 -1.615 1.00 0.63 H new ATOM 0 HB3 LEU A 35 3.273 10.379 -2.094 1.00 0.63 H new ATOM 0 HG LEU A 35 5.805 9.766 -1.534 1.00 0.64 H new ATOM 0 HD11 LEU A 35 6.312 7.453 -2.213 1.00 0.89 H new ATOM 0 HD12 LEU A 35 5.322 7.506 -0.735 1.00 0.89 H new ATOM 0 HD13 LEU A 35 4.570 7.101 -2.297 1.00 0.89 H new ATOM 0 HD21 LEU A 35 6.105 9.216 -3.920 1.00 1.08 H new ATOM 0 HD22 LEU A 35 4.354 8.936 -4.069 1.00 1.08 H new ATOM 0 HD23 LEU A 35 4.965 10.564 -3.691 1.00 1.08 H new ATOM 505 N ARG A 36 5.956 10.087 0.712 1.00 0.38 N ATOM 506 CA ARG A 36 7.162 9.653 1.411 1.00 0.38 C ATOM 507 C ARG A 36 7.164 10.100 2.876 1.00 0.34 C ATOM 508 O ARG A 36 7.225 9.278 3.788 1.00 0.37 O ATOM 509 CB ARG A 36 8.400 10.204 0.698 1.00 0.46 C ATOM 510 CG ARG A 36 9.618 10.351 1.596 1.00 1.18 C ATOM 511 CD ARG A 36 10.691 11.206 0.945 1.00 1.73 C ATOM 512 NE ARG A 36 11.702 11.638 1.906 1.00 2.64 N ATOM 513 CZ ARG A 36 12.425 12.748 1.773 1.00 3.41 C ATOM 514 NH1 ARG A 36 12.253 13.536 0.719 1.00 3.46 N ATOM 515 NH2 ARG A 36 13.322 13.071 2.696 1.00 4.28 N ATOM 0 H ARG A 36 6.068 10.955 0.188 1.00 0.38 H new ATOM 0 HA ARG A 36 7.181 8.563 1.397 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.652 9.545 -0.133 1.00 0.46 H new ATOM 0 HB3 ARG A 36 8.157 11.177 0.270 1.00 0.46 H new ATOM 0 HG2 ARG A 36 9.320 10.799 2.544 1.00 1.18 H new ATOM 0 HG3 ARG A 36 10.025 9.366 1.823 1.00 1.18 H new ATOM 0 HD2 ARG A 36 11.169 10.641 0.145 1.00 1.73 H new ATOM 0 HD3 ARG A 36 10.229 12.080 0.486 1.00 1.73 H new ATOM 0 HE ARG A 36 11.864 11.055 2.727 1.00 2.64 H new ATOM 0 HH11 ARG A 36 11.565 13.292 0.007 1.00 3.46 H new ATOM 0 HH12 ARG A 36 12.809 14.385 0.621 1.00 3.46 H new ATOM 0 HH21 ARG A 36 13.458 12.469 3.508 1.00 4.28 H new ATOM 0 HH22 ARG A 36 13.876 13.922 2.594 1.00 4.28 H new ATOM 529 N SER A 37 7.109 11.413 3.080 1.00 0.36 N ATOM 530 CA SER A 37 7.141 12.001 4.419 1.00 0.40 C ATOM 531 C SER A 37 6.037 11.471 5.333 1.00 0.40 C ATOM 532 O SER A 37 6.147 11.568 6.556 1.00 0.46 O ATOM 533 CB SER A 37 7.033 13.523 4.323 1.00 0.47 C ATOM 534 OG SER A 37 8.103 14.065 3.569 1.00 1.33 O ATOM 0 H SER A 37 7.041 12.098 2.327 1.00 0.36 H new ATOM 0 HA SER A 37 8.094 11.713 4.863 1.00 0.40 H new ATOM 0 HB2 SER A 37 6.084 13.795 3.860 1.00 0.47 H new ATOM 0 HB3 SER A 37 7.035 13.954 5.324 1.00 0.47 H new ATOM 0 HG SER A 37 7.835 14.143 2.630 1.00 1.33 H new ATOM 540 N GLN A 38 4.980 10.916 4.756 1.00 0.36 N ATOM 541 CA GLN A 38 3.871 10.410 5.556 1.00 0.39 C ATOM 542 C GLN A 38 4.060 8.946 5.943 1.00 0.43 C ATOM 543 O GLN A 38 3.272 8.401 6.714 1.00 0.67 O ATOM 544 CB GLN A 38 2.548 10.588 4.810 1.00 0.42 C ATOM 545 CG GLN A 38 2.191 12.042 4.538 1.00 0.74 C ATOM 546 CD GLN A 38 0.701 12.304 4.642 1.00 1.11 C ATOM 547 OE1 GLN A 38 0.220 13.284 3.888 1.00 1.74 O flip ATOM 548 NE2 GLN A 38 -0.009 11.634 5.392 1.00 1.84 N flip ATOM 0 H GLN A 38 4.866 10.805 3.748 1.00 0.36 H new ATOM 0 HA GLN A 38 3.848 10.993 6.477 1.00 0.39 H new ATOM 0 HB2 GLN A 38 2.600 10.052 3.862 1.00 0.42 H new ATOM 0 HB3 GLN A 38 1.748 10.129 5.392 1.00 0.42 H new ATOM 0 HG2 GLN A 38 2.719 12.681 5.246 1.00 0.74 H new ATOM 0 HG3 GLN A 38 2.536 12.317 3.541 1.00 0.74 H new ATOM 0 HE21 GLN A 38 0.403 10.889 5.954 1.00 1.84 H new ATOM 0 HE22 GLN A 38 -1.010 11.823 5.451 1.00 1.84 H new ATOM 557 N LEU A 39 5.104 8.309 5.418 1.00 0.41 N ATOM 558 CA LEU A 39 5.362 6.904 5.728 1.00 0.53 C ATOM 559 C LEU A 39 6.857 6.605 5.828 1.00 0.51 C ATOM 560 O LEU A 39 7.347 6.238 6.897 1.00 0.61 O ATOM 561 CB LEU A 39 4.705 6.004 4.681 1.00 0.69 C ATOM 562 CG LEU A 39 3.177 6.090 4.634 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.630 5.334 3.435 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.576 5.549 5.923 1.00 1.07 C ATOM 0 H LEU A 39 5.778 8.737 4.783 1.00 0.41 H new ATOM 0 HA LEU A 39 4.925 6.696 6.705 1.00 0.53 H new ATOM 0 HB2 LEU A 39 5.101 6.263 3.699 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.992 4.971 4.878 1.00 0.69 H new ATOM 0 HG LEU A 39 2.897 7.138 4.532 1.00 0.78 H new ATOM 0 HD11 LEU A 39 1.543 5.409 3.423 1.00 1.09 H new ATOM 0 HD12 LEU A 39 3.034 5.764 2.519 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.920 4.286 3.503 1.00 1.09 H new ATOM 0 HD21 LEU A 39 1.489 5.617 5.874 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.869 4.507 6.052 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.939 6.135 6.768 1.00 1.07 H new ATOM 576 N TYR A 40 7.581 6.754 4.720 1.00 0.46 N ATOM 577 CA TYR A 40 9.021 6.493 4.714 1.00 0.48 C ATOM 578 C TYR A 40 9.824 7.754 4.399 1.00 0.42 C ATOM 579 O TYR A 40 10.288 7.934 3.276 1.00 0.46 O ATOM 580 CB TYR A 40 9.381 5.386 3.714 1.00 0.58 C ATOM 581 CG TYR A 40 8.462 5.289 2.515 1.00 0.63 C ATOM 582 CD1 TYR A 40 8.452 6.283 1.542 1.00 0.89 C ATOM 583 CD2 TYR A 40 7.593 4.215 2.363 1.00 0.99 C ATOM 584 CE1 TYR A 40 7.607 6.205 0.456 1.00 1.30 C ATOM 585 CE2 TYR A 40 6.743 4.133 1.277 1.00 1.38 C ATOM 586 CZ TYR A 40 6.795 5.092 0.299 1.00 1.48 C ATOM 587 OH TYR A 40 5.909 5.057 -0.755 1.00 1.97 O ATOM 0 H TYR A 40 7.199 7.051 3.822 1.00 0.46 H new ATOM 0 HA TYR A 40 9.284 6.161 5.718 1.00 0.48 H new ATOM 0 HB2 TYR A 40 10.399 5.552 3.361 1.00 0.58 H new ATOM 0 HB3 TYR A 40 9.376 4.429 4.236 1.00 0.58 H new ATOM 0 HD1 TYR A 40 9.117 7.129 1.639 1.00 0.89 H new ATOM 0 HD2 TYR A 40 7.582 3.431 3.106 1.00 0.99 H new ATOM 0 HE1 TYR A 40 7.577 7.006 -0.268 1.00 1.30 H new ATOM 0 HE2 TYR A 40 6.040 3.317 1.199 1.00 1.38 H new ATOM 0 HH TYR A 40 5.018 4.815 -0.426 1.00 1.97 H new ATOM 597 N PRO A 41 10.010 8.645 5.393 1.00 0.47 N ATOM 598 CA PRO A 41 10.768 9.885 5.206 1.00 0.51 C ATOM 599 C PRO A 41 12.240 9.620 4.902 1.00 0.57 C ATOM 600 O PRO A 41 12.971 10.525 4.495 1.00 0.79 O ATOM 601 CB PRO A 41 10.625 10.617 6.549 1.00 0.66 C ATOM 602 CG PRO A 41 9.499 9.938 7.254 1.00 0.75 C ATOM 603 CD PRO A 41 9.500 8.519 6.768 1.00 0.62 C ATOM 0 HA PRO A 41 10.394 10.459 4.358 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.546 10.556 7.129 1.00 0.66 H new ATOM 0 HB3 PRO A 41 10.413 11.676 6.399 1.00 0.66 H new ATOM 0 HG2 PRO A 41 9.634 9.980 8.335 1.00 0.75 H new ATOM 0 HG3 PRO A 41 8.550 10.425 7.032 1.00 0.75 H new ATOM 0 HD2 PRO A 41 10.139 7.883 7.380 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.501 8.083 6.790 1.00 0.62 H new ATOM 611 N GLU A 42 12.669 8.375 5.101 1.00 0.48 N ATOM 612 CA GLU A 42 14.057 7.996 4.849 1.00 0.55 C ATOM 613 C GLU A 42 14.331 7.869 3.353 1.00 0.57 C ATOM 614 O GLU A 42 15.321 8.401 2.851 1.00 0.71 O ATOM 615 CB GLU A 42 14.392 6.682 5.560 1.00 0.59 C ATOM 616 CG GLU A 42 13.461 5.535 5.204 1.00 0.58 C ATOM 617 CD GLU A 42 13.763 4.279 5.995 1.00 0.72 C ATOM 618 OE1 GLU A 42 14.603 3.476 5.537 1.00 0.94 O ATOM 619 OE2 GLU A 42 13.162 4.101 7.075 1.00 0.87 O ATOM 0 H GLU A 42 12.077 7.614 5.435 1.00 0.48 H new ATOM 0 HA GLU A 42 14.696 8.785 5.246 1.00 0.55 H new ATOM 0 HB2 GLU A 42 15.415 6.397 5.313 1.00 0.59 H new ATOM 0 HB3 GLU A 42 14.358 6.844 6.637 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.430 5.837 5.387 1.00 0.58 H new ATOM 0 HG3 GLU A 42 13.545 5.319 4.139 1.00 0.58 H new ATOM 626 N VAL A 43 13.453 7.166 2.643 1.00 0.52 N ATOM 627 CA VAL A 43 13.609 6.987 1.206 1.00 0.60 C ATOM 628 C VAL A 43 13.016 8.186 0.465 1.00 0.51 C ATOM 629 O VAL A 43 11.885 8.584 0.737 1.00 0.52 O ATOM 630 CB VAL A 43 12.955 5.664 0.727 1.00 0.74 C ATOM 631 CG1 VAL A 43 11.851 5.905 -0.296 1.00 0.90 C ATOM 632 CG2 VAL A 43 14.010 4.733 0.154 1.00 0.99 C ATOM 0 H VAL A 43 12.629 6.713 3.039 1.00 0.52 H new ATOM 0 HA VAL A 43 14.674 6.924 0.981 1.00 0.60 H new ATOM 0 HB VAL A 43 12.494 5.196 1.597 1.00 0.74 H new ATOM 0 HG11 VAL A 43 11.423 4.950 -0.602 1.00 0.90 H new ATOM 0 HG12 VAL A 43 11.073 6.526 0.148 1.00 0.90 H new ATOM 0 HG13 VAL A 43 12.266 6.412 -1.167 1.00 0.90 H new ATOM 0 HG21 VAL A 43 13.538 3.809 -0.178 1.00 0.99 H new ATOM 0 HG22 VAL A 43 14.500 5.215 -0.692 1.00 0.99 H new ATOM 0 HG23 VAL A 43 14.751 4.507 0.921 1.00 0.99 H new ATOM 642 N PRO A 44 13.771 8.791 -0.474 1.00 0.56 N ATOM 643 CA PRO A 44 13.297 9.954 -1.228 1.00 0.54 C ATOM 644 C PRO A 44 12.059 9.641 -2.065 1.00 0.54 C ATOM 645 O PRO A 44 11.776 8.477 -2.352 1.00 0.60 O ATOM 646 CB PRO A 44 14.480 10.317 -2.133 1.00 0.64 C ATOM 647 CG PRO A 44 15.315 9.084 -2.197 1.00 0.67 C ATOM 648 CD PRO A 44 15.128 8.389 -0.879 1.00 0.76 C ATOM 0 HA PRO A 44 12.995 10.764 -0.565 1.00 0.54 H new ATOM 0 HB2 PRO A 44 14.140 10.615 -3.125 1.00 0.64 H new ATOM 0 HB3 PRO A 44 15.045 11.155 -1.725 1.00 0.64 H new ATOM 0 HG2 PRO A 44 15.004 8.444 -3.023 1.00 0.67 H new ATOM 0 HG3 PRO A 44 16.364 9.331 -2.363 1.00 0.67 H new ATOM 0 HD2 PRO A 44 15.214 7.307 -0.979 1.00 0.76 H new ATOM 0 HD3 PRO A 44 15.875 8.702 -0.150 1.00 0.76 H new ATOM 656 N PRO A 45 11.297 10.678 -2.465 1.00 0.56 N ATOM 657 CA PRO A 45 10.085 10.507 -3.271 1.00 0.67 C ATOM 658 C PRO A 45 10.396 10.144 -4.722 1.00 0.77 C ATOM 659 O PRO A 45 9.619 10.455 -5.626 1.00 1.08 O ATOM 660 CB PRO A 45 9.401 11.884 -3.203 1.00 0.72 C ATOM 661 CG PRO A 45 10.142 12.652 -2.159 1.00 0.63 C ATOM 662 CD PRO A 45 11.533 12.095 -2.159 1.00 0.56 C ATOM 0 HA PRO A 45 9.467 9.691 -2.896 1.00 0.67 H new ATOM 0 HB2 PRO A 45 9.445 12.391 -4.167 1.00 0.72 H new ATOM 0 HB3 PRO A 45 8.347 11.785 -2.942 1.00 0.72 H new ATOM 0 HG2 PRO A 45 10.147 13.718 -2.386 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.674 12.537 -1.181 1.00 0.63 H new ATOM 0 HD2 PRO A 45 12.164 12.574 -2.908 1.00 0.56 H new ATOM 0 HD3 PRO A 45 12.025 12.227 -1.195 1.00 0.56 H new ATOM 670 N GLU A 46 11.532 9.482 -4.941 1.00 0.65 N ATOM 671 CA GLU A 46 11.937 9.077 -6.282 1.00 0.77 C ATOM 672 C GLU A 46 12.579 7.689 -6.271 1.00 0.71 C ATOM 673 O GLU A 46 12.419 6.916 -7.215 1.00 0.81 O ATOM 674 CB GLU A 46 12.914 10.097 -6.875 1.00 0.92 C ATOM 675 CG GLU A 46 12.313 11.480 -7.067 1.00 1.61 C ATOM 676 CD GLU A 46 13.301 12.468 -7.654 1.00 2.17 C ATOM 677 OE1 GLU A 46 14.027 13.119 -6.872 1.00 3.02 O ATOM 678 OE2 GLU A 46 13.351 12.592 -8.896 1.00 2.25 O ATOM 0 H GLU A 46 12.186 9.216 -4.205 1.00 0.65 H new ATOM 0 HA GLU A 46 11.041 9.036 -6.902 1.00 0.77 H new ATOM 0 HB2 GLU A 46 13.783 10.176 -6.222 1.00 0.92 H new ATOM 0 HB3 GLU A 46 13.270 9.729 -7.837 1.00 0.92 H new ATOM 0 HG2 GLU A 46 11.445 11.407 -7.722 1.00 1.61 H new ATOM 0 HG3 GLU A 46 11.957 11.854 -6.107 1.00 1.61 H new ATOM 685 N GLU A 47 13.304 7.379 -5.199 1.00 0.63 N ATOM 686 CA GLU A 47 13.971 6.084 -5.074 1.00 0.66 C ATOM 687 C GLU A 47 13.071 5.062 -4.390 1.00 0.55 C ATOM 688 O GLU A 47 13.534 4.014 -3.941 1.00 0.59 O ATOM 689 CB GLU A 47 15.276 6.232 -4.290 1.00 0.81 C ATOM 690 CG GLU A 47 16.322 7.072 -5.005 1.00 1.25 C ATOM 691 CD GLU A 47 17.622 7.171 -4.231 1.00 1.42 C ATOM 692 OE1 GLU A 47 18.374 6.175 -4.203 1.00 1.62 O ATOM 693 OE2 GLU A 47 17.887 8.245 -3.651 1.00 1.58 O ATOM 0 H GLU A 47 13.445 8.005 -4.406 1.00 0.63 H new ATOM 0 HA GLU A 47 14.193 5.726 -6.079 1.00 0.66 H new ATOM 0 HB2 GLU A 47 15.059 6.683 -3.322 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.688 5.242 -4.095 1.00 0.81 H new ATOM 0 HG2 GLU A 47 16.520 6.640 -5.986 1.00 1.25 H new ATOM 0 HG3 GLU A 47 15.926 8.074 -5.172 1.00 1.25 H new ATOM 700 N PHE A 48 11.786 5.377 -4.307 1.00 0.48 N ATOM 701 CA PHE A 48 10.816 4.484 -3.682 1.00 0.45 C ATOM 702 C PHE A 48 10.418 3.355 -4.629 1.00 0.41 C ATOM 703 O PHE A 48 10.182 2.228 -4.200 1.00 0.45 O ATOM 704 CB PHE A 48 9.569 5.271 -3.267 1.00 0.54 C ATOM 705 CG PHE A 48 8.818 5.872 -4.424 1.00 1.39 C ATOM 706 CD1 PHE A 48 9.242 7.057 -5.007 1.00 2.39 C ATOM 707 CD2 PHE A 48 7.688 5.250 -4.930 1.00 1.41 C ATOM 708 CE1 PHE A 48 8.553 7.610 -6.067 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.994 5.799 -5.992 1.00 2.36 C ATOM 710 CZ PHE A 48 7.432 6.981 -6.564 1.00 3.35 C ATOM 0 H PHE A 48 11.389 6.246 -4.665 1.00 0.48 H new ATOM 0 HA PHE A 48 11.281 4.046 -2.799 1.00 0.45 H new ATOM 0 HB2 PHE A 48 8.900 4.610 -2.716 1.00 0.54 H new ATOM 0 HB3 PHE A 48 9.864 6.068 -2.584 1.00 0.54 H new ATOM 0 HD1 PHE A 48 10.123 7.553 -4.626 1.00 2.39 H new ATOM 0 HD2 PHE A 48 7.345 4.325 -4.489 1.00 1.41 H new ATOM 0 HE1 PHE A 48 8.892 8.536 -6.507 1.00 3.37 H new ATOM 0 HE2 PHE A 48 6.112 5.307 -6.375 1.00 2.36 H new ATOM 0 HZ PHE A 48 6.896 7.409 -7.398 1.00 3.35 H new ATOM 720 N ARG A 49 10.374 3.676 -5.916 1.00 0.43 N ATOM 721 CA ARG A 49 9.977 2.732 -6.959 1.00 0.47 C ATOM 722 C ARG A 49 10.683 1.376 -6.869 1.00 0.49 C ATOM 723 O ARG A 49 10.021 0.343 -6.911 1.00 0.52 O ATOM 724 CB ARG A 49 10.215 3.345 -8.328 1.00 0.58 C ATOM 725 CG ARG A 49 9.342 4.556 -8.607 1.00 1.06 C ATOM 726 CD ARG A 49 10.134 5.675 -9.259 1.00 1.14 C ATOM 727 NE ARG A 49 10.934 5.196 -10.383 1.00 1.80 N ATOM 728 CZ ARG A 49 11.529 5.995 -11.264 1.00 2.30 C ATOM 729 NH1 ARG A 49 11.398 7.311 -11.167 1.00 2.42 N ATOM 730 NH2 ARG A 49 12.253 5.476 -12.246 1.00 3.07 N ATOM 0 H ARG A 49 10.613 4.602 -6.270 1.00 0.43 H new ATOM 0 HA ARG A 49 8.916 2.536 -6.805 1.00 0.47 H new ATOM 0 HB2 ARG A 49 11.263 3.635 -8.411 1.00 0.58 H new ATOM 0 HB3 ARG A 49 10.032 2.590 -9.093 1.00 0.58 H new ATOM 0 HG2 ARG A 49 8.515 4.268 -9.256 1.00 1.06 H new ATOM 0 HG3 ARG A 49 8.905 4.914 -7.675 1.00 1.06 H new ATOM 0 HD2 ARG A 49 9.450 6.450 -9.605 1.00 1.14 H new ATOM 0 HD3 ARG A 49 10.788 6.135 -8.519 1.00 1.14 H new ATOM 0 HE ARG A 49 11.043 4.189 -10.499 1.00 1.80 H new ATOM 0 HH11 ARG A 49 10.839 7.714 -10.415 1.00 2.42 H new ATOM 0 HH12 ARG A 49 11.856 7.920 -11.845 1.00 2.42 H new ATOM 0 HH21 ARG A 49 12.354 4.464 -12.326 1.00 3.07 H new ATOM 0 HH22 ARG A 49 12.709 6.089 -12.922 1.00 3.07 H new ATOM 744 N PRO A 50 12.029 1.340 -6.765 1.00 0.52 N ATOM 745 CA PRO A 50 12.765 0.076 -6.695 1.00 0.59 C ATOM 746 C PRO A 50 12.197 -0.871 -5.644 1.00 0.58 C ATOM 747 O PRO A 50 12.297 -2.091 -5.780 1.00 0.68 O ATOM 748 CB PRO A 50 14.202 0.489 -6.338 1.00 0.63 C ATOM 749 CG PRO A 50 14.142 1.946 -6.009 1.00 0.58 C ATOM 750 CD PRO A 50 12.930 2.499 -6.706 1.00 0.54 C ATOM 0 HA PRO A 50 12.701 -0.473 -7.634 1.00 0.59 H new ATOM 0 HB2 PRO A 50 14.575 -0.087 -5.491 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.880 0.305 -7.172 1.00 0.63 H new ATOM 0 HG2 PRO A 50 14.071 2.096 -4.932 1.00 0.58 H new ATOM 0 HG3 PRO A 50 15.046 2.455 -6.343 1.00 0.58 H new ATOM 0 HD2 PRO A 50 12.488 3.327 -6.152 1.00 0.54 H new ATOM 0 HD3 PRO A 50 13.172 2.874 -7.700 1.00 0.54 H new ATOM 758 N PHE A 51 11.601 -0.310 -4.599 1.00 0.49 N ATOM 759 CA PHE A 51 11.006 -1.117 -3.541 1.00 0.51 C ATOM 760 C PHE A 51 9.487 -1.011 -3.579 1.00 0.45 C ATOM 761 O PHE A 51 8.781 -1.761 -2.906 1.00 0.52 O ATOM 762 CB PHE A 51 11.528 -0.679 -2.175 1.00 0.60 C ATOM 763 CG PHE A 51 12.140 -1.800 -1.385 1.00 0.99 C ATOM 764 CD1 PHE A 51 13.467 -2.149 -1.573 1.00 1.44 C ATOM 765 CD2 PHE A 51 11.387 -2.506 -0.463 1.00 1.29 C ATOM 766 CE1 PHE A 51 14.034 -3.182 -0.851 1.00 2.02 C ATOM 767 CE2 PHE A 51 11.947 -3.540 0.262 1.00 1.88 C ATOM 768 CZ PHE A 51 13.273 -3.879 0.068 1.00 2.20 C ATOM 0 H PHE A 51 11.517 0.697 -4.462 1.00 0.49 H new ATOM 0 HA PHE A 51 11.288 -2.157 -3.706 1.00 0.51 H new ATOM 0 HB2 PHE A 51 12.271 0.107 -2.313 1.00 0.60 H new ATOM 0 HB3 PHE A 51 10.708 -0.246 -1.602 1.00 0.60 H new ATOM 0 HD1 PHE A 51 14.065 -1.608 -2.291 1.00 1.44 H new ATOM 0 HD2 PHE A 51 10.350 -2.246 -0.309 1.00 1.29 H new ATOM 0 HE1 PHE A 51 15.070 -3.444 -1.005 1.00 2.02 H new ATOM 0 HE2 PHE A 51 11.350 -4.083 0.979 1.00 1.88 H new ATOM 0 HZ PHE A 51 13.713 -4.687 0.634 1.00 2.20 H new ATOM 778 N LEU A 52 8.995 -0.069 -4.374 1.00 0.40 N ATOM 779 CA LEU A 52 7.568 0.154 -4.516 1.00 0.43 C ATOM 780 C LEU A 52 7.025 -0.697 -5.654 1.00 0.44 C ATOM 781 O LEU A 52 5.816 -0.871 -5.791 1.00 0.50 O ATOM 782 CB LEU A 52 7.298 1.640 -4.789 1.00 0.55 C ATOM 783 CG LEU A 52 5.963 2.213 -4.290 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.008 2.382 -5.453 1.00 1.33 C ATOM 785 CD2 LEU A 52 5.337 1.348 -3.205 1.00 1.15 C ATOM 0 H LEU A 52 9.573 0.557 -4.934 1.00 0.40 H new ATOM 0 HA LEU A 52 7.065 -0.131 -3.592 1.00 0.43 H new ATOM 0 HB2 LEU A 52 8.104 2.219 -4.338 1.00 0.55 H new ATOM 0 HB3 LEU A 52 7.354 1.802 -5.866 1.00 0.55 H new ATOM 0 HG LEU A 52 6.166 3.187 -3.844 1.00 0.56 H new ATOM 0 HD11 LEU A 52 4.063 2.789 -5.092 1.00 1.33 H new ATOM 0 HD12 LEU A 52 5.442 3.065 -6.184 1.00 1.33 H new ATOM 0 HD13 LEU A 52 4.831 1.414 -5.922 1.00 1.33 H new ATOM 0 HD21 LEU A 52 4.395 1.793 -2.883 1.00 1.15 H new ATOM 0 HD22 LEU A 52 5.151 0.349 -3.599 1.00 1.15 H new ATOM 0 HD23 LEU A 52 6.016 1.282 -2.355 1.00 1.15 H new ATOM 797 N ALA A 53 7.937 -1.222 -6.468 1.00 0.48 N ATOM 798 CA ALA A 53 7.568 -2.058 -7.600 1.00 0.59 C ATOM 799 C ALA A 53 6.792 -3.276 -7.126 1.00 0.60 C ATOM 800 O ALA A 53 5.845 -3.720 -7.778 1.00 0.76 O ATOM 801 CB ALA A 53 8.811 -2.475 -8.373 1.00 0.67 C ATOM 0 H ALA A 53 8.941 -1.080 -6.361 1.00 0.48 H new ATOM 0 HA ALA A 53 6.926 -1.484 -8.268 1.00 0.59 H new ATOM 0 HB1 ALA A 53 8.522 -3.100 -9.218 1.00 0.67 H new ATOM 0 HB2 ALA A 53 9.327 -1.587 -8.739 1.00 0.67 H new ATOM 0 HB3 ALA A 53 9.476 -3.037 -7.717 1.00 0.67 H new ATOM 807 N LYS A 54 7.204 -3.813 -5.985 1.00 0.51 N ATOM 808 CA LYS A 54 6.536 -4.965 -5.399 1.00 0.55 C ATOM 809 C LYS A 54 5.481 -4.498 -4.403 1.00 0.48 C ATOM 810 O LYS A 54 4.765 -5.304 -3.809 1.00 0.57 O ATOM 811 CB LYS A 54 7.550 -5.878 -4.706 1.00 0.62 C ATOM 812 CG LYS A 54 8.548 -6.512 -5.664 1.00 0.76 C ATOM 813 CD LYS A 54 9.501 -7.451 -4.940 1.00 0.94 C ATOM 814 CE LYS A 54 10.421 -6.698 -3.991 1.00 1.21 C ATOM 815 NZ LYS A 54 11.229 -5.669 -4.702 1.00 1.84 N ATOM 0 H LYS A 54 7.999 -3.468 -5.447 1.00 0.51 H new ATOM 0 HA LYS A 54 6.051 -5.532 -6.194 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.093 -5.302 -3.956 1.00 0.62 H new ATOM 0 HB3 LYS A 54 7.015 -6.666 -4.176 1.00 0.62 H new ATOM 0 HG2 LYS A 54 8.012 -7.062 -6.437 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.118 -5.730 -6.166 1.00 0.76 H new ATOM 0 HD2 LYS A 54 8.928 -8.191 -4.381 1.00 0.94 H new ATOM 0 HD3 LYS A 54 10.099 -7.996 -5.670 1.00 0.94 H new ATOM 0 HE2 LYS A 54 9.827 -6.219 -3.213 1.00 1.21 H new ATOM 0 HE3 LYS A 54 11.087 -7.404 -3.495 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 12.030 -5.383 -4.104 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 11.587 -6.065 -5.595 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 10.635 -4.840 -4.904 1.00 1.84 H new ATOM 829 N MET A 55 5.397 -3.180 -4.230 1.00 0.38 N ATOM 830 CA MET A 55 4.435 -2.578 -3.314 1.00 0.34 C ATOM 831 C MET A 55 3.466 -1.667 -4.063 1.00 0.33 C ATOM 832 O MET A 55 2.787 -0.837 -3.456 1.00 0.35 O ATOM 833 CB MET A 55 5.167 -1.789 -2.226 1.00 0.33 C ATOM 834 CG MET A 55 5.583 -2.637 -1.035 1.00 0.42 C ATOM 835 SD MET A 55 7.077 -2.022 -0.232 1.00 1.95 S ATOM 836 CE MET A 55 6.594 -0.340 0.147 1.00 2.78 C ATOM 0 H MET A 55 5.989 -2.506 -4.717 1.00 0.38 H new ATOM 0 HA MET A 55 3.860 -3.378 -2.848 1.00 0.34 H new ATOM 0 HB2 MET A 55 6.054 -1.326 -2.659 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.523 -0.981 -1.879 1.00 0.33 H new ATOM 0 HG2 MET A 55 4.770 -2.662 -0.310 1.00 0.42 H new ATOM 0 HG3 MET A 55 5.748 -3.663 -1.364 1.00 0.42 H new ATOM 0 HE1 MET A 55 7.125 0.348 -0.511 1.00 2.78 H new ATOM 0 HE2 MET A 55 5.520 -0.228 -0.001 1.00 2.78 H new ATOM 0 HE3 MET A 55 6.843 -0.115 1.184 1.00 2.78 H new ATOM 846 N ARG A 56 3.402 -1.830 -5.382 1.00 0.37 N ATOM 847 CA ARG A 56 2.510 -1.023 -6.208 1.00 0.42 C ATOM 848 C ARG A 56 1.415 -1.885 -6.828 1.00 0.41 C ATOM 849 O ARG A 56 0.456 -1.367 -7.402 1.00 0.43 O ATOM 850 CB ARG A 56 3.294 -0.297 -7.306 1.00 0.54 C ATOM 851 CG ARG A 56 4.103 -1.217 -8.205 1.00 1.09 C ATOM 852 CD ARG A 56 4.838 -0.436 -9.282 1.00 1.35 C ATOM 853 NE ARG A 56 5.737 0.565 -8.714 1.00 1.81 N ATOM 854 CZ ARG A 56 6.067 1.697 -9.329 1.00 2.37 C ATOM 855 NH1 ARG A 56 5.585 1.968 -10.534 1.00 2.58 N ATOM 856 NH2 ARG A 56 6.879 2.561 -8.736 1.00 3.05 N ATOM 0 H ARG A 56 3.956 -2.512 -5.900 1.00 0.37 H new ATOM 0 HA ARG A 56 2.042 -0.278 -5.564 1.00 0.42 H new ATOM 0 HB2 ARG A 56 2.596 0.271 -7.920 1.00 0.54 H new ATOM 0 HB3 ARG A 56 3.968 0.423 -6.841 1.00 0.54 H new ATOM 0 HG2 ARG A 56 4.821 -1.775 -7.605 1.00 1.09 H new ATOM 0 HG3 ARG A 56 3.441 -1.947 -8.671 1.00 1.09 H new ATOM 0 HD2 ARG A 56 5.409 -1.125 -9.904 1.00 1.35 H new ATOM 0 HD3 ARG A 56 4.114 0.054 -9.932 1.00 1.35 H new ATOM 0 HE ARG A 56 6.135 0.385 -7.792 1.00 1.81 H new ATOM 0 HH11 ARG A 56 4.958 1.307 -10.993 1.00 2.58 H new ATOM 0 HH12 ARG A 56 5.841 2.837 -11.002 1.00 2.58 H new ATOM 0 HH21 ARG A 56 7.251 2.357 -7.808 1.00 3.05 H new ATOM 0 HH22 ARG A 56 7.132 3.429 -9.208 1.00 3.05 H new ATOM 870 N GLY A 57 1.566 -3.200 -6.711 1.00 0.43 N ATOM 871 CA GLY A 57 0.575 -4.110 -7.257 1.00 0.45 C ATOM 872 C GLY A 57 -0.742 -4.030 -6.511 1.00 0.39 C ATOM 873 O GLY A 57 -1.764 -4.529 -6.980 1.00 0.48 O ATOM 0 H GLY A 57 2.355 -3.652 -6.249 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.410 -3.878 -8.309 1.00 0.45 H new ATOM 0 HA3 GLY A 57 0.956 -5.130 -7.212 1.00 0.45 H new ATOM 877 N ILE A 58 -0.712 -3.394 -5.345 1.00 0.41 N ATOM 878 CA ILE A 58 -1.903 -3.241 -4.519 1.00 0.39 C ATOM 879 C ILE A 58 -2.477 -1.829 -4.645 1.00 0.40 C ATOM 880 O ILE A 58 -3.666 -1.608 -4.414 1.00 0.47 O ATOM 881 CB ILE A 58 -1.593 -3.528 -3.031 1.00 0.42 C ATOM 882 CG1 ILE A 58 -1.093 -4.964 -2.846 1.00 0.53 C ATOM 883 CG2 ILE A 58 -2.821 -3.284 -2.167 1.00 0.43 C ATOM 884 CD1 ILE A 58 0.384 -5.138 -3.133 1.00 0.71 C ATOM 0 H ILE A 58 0.129 -2.974 -4.949 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.637 -3.964 -4.876 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.805 -2.844 -2.715 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -1.295 -5.280 -1.823 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -1.661 -5.624 -3.501 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -2.580 -3.492 -1.125 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -3.135 -2.245 -2.266 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -3.629 -3.940 -2.490 1.00 0.43 H new ATOM 0 HD11 ILE A 58 0.664 -6.180 -2.981 1.00 0.71 H new ATOM 0 HD12 ILE A 58 0.590 -4.854 -4.165 1.00 0.71 H new ATOM 0 HD13 ILE A 58 0.962 -4.505 -2.460 1.00 0.71 H new ATOM 896 N LEU A 59 -1.626 -0.883 -5.030 1.00 0.44 N ATOM 897 CA LEU A 59 -2.041 0.512 -5.170 1.00 0.49 C ATOM 898 C LEU A 59 -3.055 0.701 -6.296 1.00 0.52 C ATOM 899 O LEU A 59 -4.178 1.139 -6.056 1.00 0.56 O ATOM 900 CB LEU A 59 -0.822 1.401 -5.422 1.00 0.58 C ATOM 901 CG LEU A 59 -1.141 2.819 -5.899 1.00 0.88 C ATOM 902 CD1 LEU A 59 -1.808 3.621 -4.792 1.00 1.39 C ATOM 903 CD2 LEU A 59 0.121 3.514 -6.389 1.00 1.71 C ATOM 0 H LEU A 59 -0.645 -1.055 -5.251 1.00 0.44 H new ATOM 0 HA LEU A 59 -2.524 0.800 -4.236 1.00 0.49 H new ATOM 0 HB2 LEU A 59 -0.242 1.466 -4.501 1.00 0.58 H new ATOM 0 HB3 LEU A 59 -0.187 0.918 -6.165 1.00 0.58 H new ATOM 0 HG LEU A 59 -1.838 2.753 -6.734 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -2.026 4.626 -5.152 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -2.736 3.132 -4.497 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -1.140 3.681 -3.933 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -0.125 4.521 -6.724 1.00 1.71 H new ATOM 0 HD22 LEU A 59 0.845 3.569 -5.576 1.00 1.71 H new ATOM 0 HD23 LEU A 59 0.548 2.950 -7.218 1.00 1.71 H new ATOM 915 N LYS A 60 -2.656 0.375 -7.522 1.00 0.59 N ATOM 916 CA LYS A 60 -3.540 0.532 -8.672 1.00 0.68 C ATOM 917 C LYS A 60 -4.751 -0.388 -8.554 1.00 0.65 C ATOM 918 O LYS A 60 -5.758 -0.198 -9.232 1.00 0.74 O ATOM 919 CB LYS A 60 -2.784 0.265 -9.980 1.00 0.80 C ATOM 920 CG LYS A 60 -2.734 -1.199 -10.394 1.00 0.92 C ATOM 921 CD LYS A 60 -1.934 -2.040 -9.411 1.00 1.07 C ATOM 922 CE LYS A 60 -1.834 -3.485 -9.871 1.00 1.10 C ATOM 923 NZ LYS A 60 -1.156 -3.602 -11.192 1.00 1.60 N ATOM 0 H LYS A 60 -1.733 0.003 -7.744 1.00 0.59 H new ATOM 0 HA LYS A 60 -3.895 1.562 -8.687 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -3.253 0.839 -10.779 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -1.764 0.635 -9.877 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -3.749 -1.591 -10.465 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -2.291 -1.281 -11.386 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -0.934 -1.621 -9.302 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -2.405 -2.001 -8.429 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -1.285 -4.065 -9.129 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -2.833 -3.915 -9.937 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -0.850 -4.585 -11.339 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -1.817 -3.328 -11.947 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -0.327 -2.974 -11.214 1.00 1.60 H new ATOM 937 N SER A 61 -4.641 -1.386 -7.687 1.00 0.55 N ATOM 938 CA SER A 61 -5.721 -2.339 -7.481 1.00 0.55 C ATOM 939 C SER A 61 -6.836 -1.741 -6.626 1.00 0.57 C ATOM 940 O SER A 61 -8.017 -1.907 -6.924 1.00 0.71 O ATOM 941 CB SER A 61 -5.179 -3.602 -6.809 1.00 0.51 C ATOM 942 OG SER A 61 -6.188 -4.591 -6.695 1.00 1.20 O ATOM 0 H SER A 61 -3.814 -1.556 -7.115 1.00 0.55 H new ATOM 0 HA SER A 61 -6.138 -2.590 -8.456 1.00 0.55 H new ATOM 0 HB2 SER A 61 -4.343 -3.996 -7.387 1.00 0.51 H new ATOM 0 HB3 SER A 61 -4.794 -3.355 -5.820 1.00 0.51 H new ATOM 0 HG SER A 61 -5.772 -5.470 -6.571 1.00 1.20 H new ATOM 948 N ILE A 62 -6.452 -1.064 -5.551 1.00 0.50 N ATOM 949 CA ILE A 62 -7.416 -0.460 -4.635 1.00 0.56 C ATOM 950 C ILE A 62 -7.878 0.933 -5.077 1.00 0.64 C ATOM 951 O ILE A 62 -9.045 1.285 -4.908 1.00 0.70 O ATOM 952 CB ILE A 62 -6.828 -0.361 -3.213 1.00 0.55 C ATOM 953 CG1 ILE A 62 -6.437 -1.751 -2.705 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.823 0.296 -2.266 1.00 0.65 C ATOM 955 CD1 ILE A 62 -5.751 -1.732 -1.356 1.00 0.79 C ATOM 0 H ILE A 62 -5.477 -0.918 -5.290 1.00 0.50 H new ATOM 0 HA ILE A 62 -8.285 -1.117 -4.643 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.933 0.260 -3.249 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -7.332 -2.370 -2.640 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -5.776 -2.222 -3.433 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -7.390 0.357 -1.268 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -8.056 1.300 -2.622 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.737 -0.297 -2.229 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -5.503 -2.751 -1.060 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -4.838 -1.141 -1.421 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -6.418 -1.291 -0.615 1.00 0.79 H new ATOM 967 N ALA A 63 -6.966 1.721 -5.640 1.00 0.68 N ATOM 968 CA ALA A 63 -7.286 3.090 -6.046 1.00 0.79 C ATOM 969 C ALA A 63 -7.955 3.191 -7.418 1.00 0.84 C ATOM 970 O ALA A 63 -9.100 3.629 -7.521 1.00 0.90 O ATOM 971 CB ALA A 63 -6.026 3.942 -6.019 1.00 0.88 C ATOM 0 H ALA A 63 -6.004 1.439 -5.826 1.00 0.68 H new ATOM 0 HA ALA A 63 -8.016 3.460 -5.326 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -6.269 4.960 -6.322 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -5.615 3.952 -5.009 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -5.290 3.525 -6.706 1.00 0.88 H new ATOM 977 N SER A 64 -7.245 2.789 -8.467 1.00 0.88 N ATOM 978 CA SER A 64 -7.778 2.886 -9.827 1.00 1.00 C ATOM 979 C SER A 64 -8.716 1.732 -10.172 1.00 0.96 C ATOM 980 O SER A 64 -9.677 1.912 -10.920 1.00 1.11 O ATOM 981 CB SER A 64 -6.634 2.946 -10.841 1.00 1.13 C ATOM 982 OG SER A 64 -5.855 1.764 -10.807 1.00 1.56 O ATOM 0 H SER A 64 -6.306 2.395 -8.406 1.00 0.88 H new ATOM 0 HA SER A 64 -8.362 3.805 -9.874 1.00 1.00 H new ATOM 0 HB2 SER A 64 -7.040 3.088 -11.843 1.00 1.13 H new ATOM 0 HB3 SER A 64 -6.001 3.808 -10.628 1.00 1.13 H new ATOM 0 HG SER A 64 -6.048 1.269 -9.984 1.00 1.56 H new ATOM 988 N ALA A 65 -8.441 0.554 -9.629 1.00 0.84 N ATOM 989 CA ALA A 65 -9.265 -0.616 -9.907 1.00 0.84 C ATOM 990 C ALA A 65 -10.370 -0.782 -8.869 1.00 0.75 C ATOM 991 O ALA A 65 -11.489 -1.173 -9.203 1.00 0.82 O ATOM 992 CB ALA A 65 -8.400 -1.866 -9.970 1.00 0.83 C ATOM 0 H ALA A 65 -7.659 0.383 -8.997 1.00 0.84 H new ATOM 0 HA ALA A 65 -9.743 -0.467 -10.875 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -9.028 -2.733 -10.178 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -7.659 -1.756 -10.762 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -7.893 -2.006 -9.015 1.00 0.83 H new ATOM 998 N ASP A 66 -10.052 -0.478 -7.614 1.00 0.65 N ATOM 999 CA ASP A 66 -11.015 -0.599 -6.524 1.00 0.65 C ATOM 1000 C ASP A 66 -11.615 -2.003 -6.487 1.00 0.66 C ATOM 1001 O ASP A 66 -12.646 -2.264 -7.106 1.00 1.01 O ATOM 1002 CB ASP A 66 -12.126 0.442 -6.674 1.00 0.75 C ATOM 1003 CG ASP A 66 -13.045 0.485 -5.469 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -13.969 -0.353 -5.397 1.00 1.53 O ATOM 1005 OD2 ASP A 66 -12.840 1.355 -4.596 1.00 1.08 O ATOM 0 H ASP A 66 -9.132 -0.145 -7.326 1.00 0.65 H new ATOM 0 HA ASP A 66 -10.490 -0.421 -5.586 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -11.681 1.426 -6.823 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -12.711 0.219 -7.566 1.00 0.75 H new ATOM 1010 N MET A 67 -10.959 -2.904 -5.763 1.00 0.55 N ATOM 1011 CA MET A 67 -11.424 -4.283 -5.653 1.00 0.55 C ATOM 1012 C MET A 67 -12.261 -4.482 -4.393 1.00 0.65 C ATOM 1013 O MET A 67 -12.524 -3.534 -3.654 1.00 0.81 O ATOM 1014 CB MET A 67 -10.232 -5.243 -5.642 1.00 0.49 C ATOM 1015 CG MET A 67 -9.241 -4.998 -6.771 1.00 0.49 C ATOM 1016 SD MET A 67 -9.956 -5.279 -8.402 1.00 1.00 S ATOM 1017 CE MET A 67 -10.224 -7.049 -8.352 1.00 1.52 C ATOM 0 H MET A 67 -10.104 -2.705 -5.244 1.00 0.55 H new ATOM 0 HA MET A 67 -12.051 -4.497 -6.519 1.00 0.55 H new ATOM 0 HB2 MET A 67 -9.713 -5.153 -4.688 1.00 0.49 H new ATOM 0 HB3 MET A 67 -10.600 -6.267 -5.709 1.00 0.49 H new ATOM 0 HG2 MET A 67 -8.876 -3.973 -6.711 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.379 -5.652 -6.640 1.00 0.49 H new ATOM 0 HE1 MET A 67 -10.922 -7.334 -9.139 1.00 1.52 H new ATOM 0 HE2 MET A 67 -9.276 -7.565 -8.503 1.00 1.52 H new ATOM 0 HE3 MET A 67 -10.638 -7.327 -7.383 1.00 1.52 H new ATOM 1027 N ASP A 68 -12.676 -5.724 -4.157 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.483 -6.053 -2.987 1.00 0.77 C ATOM 1029 C ASP A 68 -12.615 -6.614 -1.864 1.00 0.67 C ATOM 1030 O ASP A 68 -11.396 -6.446 -1.867 1.00 1.22 O ATOM 1031 CB ASP A 68 -14.574 -7.058 -3.361 1.00 1.02 C ATOM 1032 CG ASP A 68 -15.626 -6.454 -4.271 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -15.317 -6.207 -5.455 1.00 1.92 O ATOM 1034 OD2 ASP A 68 -16.759 -6.227 -3.797 1.00 1.91 O ATOM 0 H ASP A 68 -12.466 -6.519 -4.761 1.00 0.64 H new ATOM 0 HA ASP A 68 -13.952 -5.136 -2.630 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.120 -7.917 -3.855 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.051 -7.428 -2.453 1.00 1.02 H new ATOM 1039 N PHE A 69 -13.253 -7.280 -0.903 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.542 -7.857 0.234 1.00 0.83 C ATOM 1041 C PHE A 69 -12.225 -9.333 -0.001 1.00 0.99 C ATOM 1042 O PHE A 69 -11.419 -9.924 0.720 1.00 1.85 O ATOM 1043 CB PHE A 69 -13.374 -7.703 1.510 1.00 1.00 C ATOM 1044 CG PHE A 69 -14.766 -8.256 1.390 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -15.020 -9.592 1.653 1.00 1.82 C ATOM 1046 CD2 PHE A 69 -15.822 -7.438 1.016 1.00 2.08 C ATOM 1047 CE1 PHE A 69 -16.299 -10.104 1.546 1.00 2.52 C ATOM 1048 CE2 PHE A 69 -17.103 -7.945 0.906 1.00 2.91 C ATOM 1049 CZ PHE A 69 -17.342 -9.279 1.166 1.00 3.05 C ATOM 0 H PHE A 69 -14.261 -7.433 -0.890 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.601 -7.319 0.347 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -12.862 -8.205 2.331 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -13.433 -6.646 1.770 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -14.208 -10.242 1.945 1.00 1.82 H new ATOM 0 HD2 PHE A 69 -15.641 -6.394 0.809 1.00 2.08 H new ATOM 0 HE1 PHE A 69 -16.484 -11.147 1.759 1.00 2.52 H new ATOM 0 HE2 PHE A 69 -17.917 -7.297 0.617 1.00 2.91 H new ATOM 0 HZ PHE A 69 -18.341 -9.678 1.073 1.00 3.05 H new ATOM 1059 N ASN A 70 -12.862 -9.923 -1.007 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.648 -11.332 -1.324 1.00 0.89 C ATOM 1061 C ASN A 70 -11.880 -11.488 -2.634 1.00 0.83 C ATOM 1062 O ASN A 70 -11.550 -12.601 -3.044 1.00 1.09 O ATOM 1063 CB ASN A 70 -13.993 -12.059 -1.415 1.00 1.03 C ATOM 1064 CG ASN A 70 -13.837 -13.560 -1.562 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -13.810 -14.032 -2.802 1.00 2.50 O flip ATOM 1066 ND2 ASN A 70 -13.746 -14.287 -0.573 1.00 2.40 N flip ATOM 0 H ASN A 70 -13.529 -9.449 -1.616 1.00 0.86 H new ATOM 0 HA ASN A 70 -12.053 -11.775 -0.525 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.579 -11.844 -0.521 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -14.555 -11.671 -2.265 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -13.771 -13.881 0.362 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -13.645 -15.295 -0.689 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.591 -10.364 -3.283 1.00 0.69 N ATOM 1074 CA GLN A 71 -10.866 -10.376 -4.549 1.00 0.68 C ATOM 1075 C GLN A 71 -9.388 -10.052 -4.342 1.00 0.58 C ATOM 1076 O GLN A 71 -8.531 -10.520 -5.092 1.00 0.72 O ATOM 1077 CB GLN A 71 -11.494 -9.381 -5.526 1.00 0.74 C ATOM 1078 CG GLN A 71 -12.978 -9.617 -5.747 1.00 0.88 C ATOM 1079 CD GLN A 71 -13.544 -8.779 -6.877 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -12.842 -8.445 -7.830 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -14.822 -8.439 -6.776 1.00 1.90 N ATOM 0 H GLN A 71 -11.848 -9.434 -2.953 1.00 0.69 H new ATOM 0 HA GLN A 71 -10.935 -11.379 -4.969 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -11.345 -8.369 -5.150 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -10.976 -9.445 -6.483 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -13.145 -10.672 -5.964 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -13.518 -9.391 -4.828 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -15.367 -8.738 -5.967 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -15.260 -7.878 -7.507 1.00 1.90 H new ATOM 1090 N LEU A 72 -9.097 -9.247 -3.324 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.718 -8.870 -3.023 1.00 0.39 C ATOM 1092 C LEU A 72 -7.010 -9.967 -2.237 1.00 0.41 C ATOM 1093 O LEU A 72 -5.800 -10.147 -2.359 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.670 -7.562 -2.226 1.00 0.40 C ATOM 1095 CG LEU A 72 -8.031 -6.298 -3.001 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.936 -5.089 -2.086 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -7.120 -6.127 -4.209 1.00 1.06 C ATOM 0 H LEU A 72 -9.793 -8.845 -2.696 1.00 0.45 H new ATOM 0 HA LEU A 72 -7.205 -8.728 -3.974 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -8.348 -7.651 -1.377 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.665 -7.442 -1.821 1.00 0.40 H new ATOM 0 HG LEU A 72 -9.055 -6.389 -3.363 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -8.195 -4.189 -2.644 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -8.626 -5.209 -1.251 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -6.919 -5.000 -1.705 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -7.395 -5.220 -4.747 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -6.085 -6.052 -3.876 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -7.227 -6.987 -4.870 1.00 1.06 H new ATOM 1109 N GLU A 73 -7.773 -10.691 -1.423 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.220 -11.771 -0.611 1.00 0.57 C ATOM 1111 C GLU A 73 -6.446 -12.767 -1.469 1.00 0.59 C ATOM 1112 O GLU A 73 -5.516 -13.418 -0.993 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.337 -12.492 0.147 1.00 0.67 C ATOM 1114 CG GLU A 73 -7.837 -13.598 1.063 1.00 0.75 C ATOM 1115 CD GLU A 73 -8.952 -14.243 1.861 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -9.569 -15.201 1.352 1.00 2.25 O ATOM 1117 OE2 GLU A 73 -9.208 -13.789 2.997 1.00 1.76 O ATOM 0 H GLU A 73 -8.777 -10.549 -1.308 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.528 -11.329 0.106 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -8.891 -11.764 0.740 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.037 -12.917 -0.572 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -7.335 -14.360 0.466 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -7.094 -13.189 1.748 1.00 0.75 H new ATOM 1124 N ALA A 74 -6.832 -12.880 -2.735 1.00 0.62 N ATOM 1125 CA ALA A 74 -6.171 -13.797 -3.655 1.00 0.70 C ATOM 1126 C ALA A 74 -4.906 -13.175 -4.240 1.00 0.57 C ATOM 1127 O ALA A 74 -3.963 -13.883 -4.594 1.00 0.60 O ATOM 1128 CB ALA A 74 -7.124 -14.209 -4.767 1.00 0.89 C ATOM 0 H ALA A 74 -7.599 -12.348 -3.147 1.00 0.62 H new ATOM 0 HA ALA A 74 -5.880 -14.685 -3.095 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -6.616 -14.894 -5.446 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -7.994 -14.704 -4.336 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -7.446 -13.325 -5.317 1.00 0.89 H new ATOM 1134 N PHE A 75 -4.893 -11.849 -4.336 1.00 0.49 N ATOM 1135 CA PHE A 75 -3.744 -11.131 -4.879 1.00 0.46 C ATOM 1136 C PHE A 75 -2.594 -11.102 -3.878 1.00 0.38 C ATOM 1137 O PHE A 75 -1.432 -11.288 -4.242 1.00 0.47 O ATOM 1138 CB PHE A 75 -4.139 -9.702 -5.256 1.00 0.55 C ATOM 1139 CG PHE A 75 -3.004 -8.901 -5.830 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -2.173 -8.162 -5.004 1.00 0.67 C ATOM 1141 CD2 PHE A 75 -2.770 -8.886 -7.196 1.00 0.76 C ATOM 1142 CE1 PHE A 75 -1.133 -7.419 -5.529 1.00 0.82 C ATOM 1143 CE2 PHE A 75 -1.732 -8.146 -7.726 1.00 0.88 C ATOM 1144 CZ PHE A 75 -0.899 -7.428 -6.887 1.00 0.91 C ATOM 0 H PHE A 75 -5.665 -11.250 -4.045 1.00 0.49 H new ATOM 0 HA PHE A 75 -3.411 -11.658 -5.773 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -4.952 -9.737 -5.981 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -4.522 -9.193 -4.371 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -2.340 -8.167 -3.937 1.00 0.67 H new ATOM 0 HD2 PHE A 75 -3.407 -9.460 -7.853 1.00 0.76 H new ATOM 0 HE1 PHE A 75 -0.504 -6.832 -4.876 1.00 0.82 H new ATOM 0 HE2 PHE A 75 -1.571 -8.128 -8.794 1.00 0.88 H new ATOM 0 HZ PHE A 75 -0.066 -6.875 -7.296 1.00 0.91 H new ATOM 1154 N LEU A 76 -2.930 -10.866 -2.619 1.00 0.33 N ATOM 1155 CA LEU A 76 -1.942 -10.798 -1.549 1.00 0.36 C ATOM 1156 C LEU A 76 -1.194 -12.122 -1.404 1.00 0.40 C ATOM 1157 O LEU A 76 -0.119 -12.178 -0.811 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.638 -10.423 -0.240 1.00 0.43 C ATOM 1159 CG LEU A 76 -1.880 -9.456 0.676 1.00 0.55 C ATOM 1160 CD1 LEU A 76 -0.815 -10.188 1.473 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.268 -8.310 -0.117 1.00 0.80 C ATOM 0 H LEU A 76 -3.890 -10.717 -2.309 1.00 0.33 H new ATOM 0 HA LEU A 76 -1.206 -10.033 -1.797 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.605 -9.981 -0.480 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.836 -11.339 0.317 1.00 0.43 H new ATOM 0 HG LEU A 76 -2.599 -9.031 1.377 1.00 0.55 H new ATOM 0 HD11 LEU A 76 -0.291 -9.481 2.115 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -1.284 -10.957 2.087 1.00 0.82 H new ATOM 0 HD13 LEU A 76 -0.104 -10.653 0.790 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -0.737 -7.641 0.561 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -0.570 -8.709 -0.854 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -2.058 -7.758 -0.627 1.00 0.80 H new ATOM 1173 N THR A 77 -1.781 -13.186 -1.934 1.00 0.41 N ATOM 1174 CA THR A 77 -1.167 -14.508 -1.873 1.00 0.49 C ATOM 1175 C THR A 77 -0.110 -14.654 -2.963 1.00 0.47 C ATOM 1176 O THR A 77 0.842 -15.421 -2.824 1.00 0.53 O ATOM 1177 CB THR A 77 -2.221 -15.621 -2.034 1.00 0.63 C ATOM 1178 OG1 THR A 77 -3.280 -15.435 -1.088 1.00 0.73 O ATOM 1179 CG2 THR A 77 -1.597 -16.995 -1.837 1.00 0.71 C ATOM 0 H THR A 77 -2.682 -13.161 -2.412 1.00 0.41 H new ATOM 0 HA THR A 77 -0.699 -14.608 -0.894 1.00 0.49 H new ATOM 0 HB THR A 77 -2.622 -15.563 -3.046 1.00 0.63 H new ATOM 0 HG1 THR A 77 -3.835 -14.676 -1.364 1.00 0.73 H new ATOM 0 HG21 THR A 77 -2.362 -17.762 -1.956 1.00 0.71 H new ATOM 0 HG22 THR A 77 -0.812 -17.148 -2.577 1.00 0.71 H new ATOM 0 HG23 THR A 77 -1.170 -17.060 -0.836 1.00 0.71 H new ATOM 1187 N ALA A 78 -0.288 -13.899 -4.043 1.00 0.45 N ATOM 1188 CA ALA A 78 0.636 -13.925 -5.171 1.00 0.52 C ATOM 1189 C ALA A 78 1.926 -13.185 -4.845 1.00 0.53 C ATOM 1190 O ALA A 78 3.024 -13.692 -5.077 1.00 0.67 O ATOM 1191 CB ALA A 78 -0.021 -13.298 -6.388 1.00 0.60 C ATOM 0 H ALA A 78 -1.071 -13.256 -4.160 1.00 0.45 H new ATOM 0 HA ALA A 78 0.884 -14.965 -5.382 1.00 0.52 H new ATOM 0 HB1 ALA A 78 0.673 -13.320 -7.228 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -0.920 -13.858 -6.645 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -0.289 -12.265 -6.165 1.00 0.60 H new ATOM 1197 N GLN A 79 1.776 -11.980 -4.315 1.00 0.47 N ATOM 1198 CA GLN A 79 2.912 -11.143 -3.949 1.00 0.53 C ATOM 1199 C GLN A 79 3.869 -11.878 -3.015 1.00 0.54 C ATOM 1200 O GLN A 79 5.031 -11.496 -2.874 1.00 1.06 O ATOM 1201 CB GLN A 79 2.409 -9.877 -3.265 1.00 0.56 C ATOM 1202 CG GLN A 79 1.552 -10.176 -2.051 1.00 0.96 C ATOM 1203 CD GLN A 79 1.750 -9.181 -0.925 1.00 1.23 C ATOM 1204 OE1 GLN A 79 1.719 -9.547 0.249 1.00 2.20 O ATOM 1205 NE2 GLN A 79 1.940 -7.916 -1.271 1.00 0.61 N ATOM 0 H GLN A 79 0.868 -11.555 -4.127 1.00 0.47 H new ATOM 0 HA GLN A 79 3.454 -10.890 -4.860 1.00 0.53 H new ATOM 0 HB2 GLN A 79 3.261 -9.268 -2.963 1.00 0.56 H new ATOM 0 HB3 GLN A 79 1.832 -9.288 -3.977 1.00 0.56 H new ATOM 0 HG2 GLN A 79 0.503 -10.178 -2.346 1.00 0.96 H new ATOM 0 HG3 GLN A 79 1.783 -11.177 -1.688 1.00 0.96 H new ATOM 0 HE21 GLN A 79 1.959 -7.654 -2.257 1.00 0.61 H new ATOM 0 HE22 GLN A 79 2.067 -7.204 -0.552 1.00 0.61 H new ATOM 1214 N THR A 80 3.373 -12.934 -2.384 1.00 0.63 N ATOM 1215 CA THR A 80 4.171 -13.713 -1.448 1.00 0.65 C ATOM 1216 C THR A 80 4.711 -14.988 -2.090 1.00 0.64 C ATOM 1217 O THR A 80 5.719 -15.536 -1.643 1.00 0.73 O ATOM 1218 CB THR A 80 3.347 -14.086 -0.201 1.00 0.77 C ATOM 1219 OG1 THR A 80 2.164 -14.795 -0.590 1.00 1.31 O ATOM 1220 CG2 THR A 80 2.962 -12.841 0.587 1.00 0.44 C ATOM 0 H THR A 80 2.418 -13.271 -2.504 1.00 0.63 H new ATOM 0 HA THR A 80 5.013 -13.086 -1.155 1.00 0.65 H new ATOM 0 HB THR A 80 3.961 -14.724 0.435 1.00 0.77 H new ATOM 0 HG1 THR A 80 2.144 -14.887 -1.565 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.381 -13.130 1.463 1.00 0.44 H new ATOM 0 HG22 THR A 80 3.864 -12.319 0.906 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.365 -12.182 -0.043 1.00 0.44 H new ATOM 1228 N LYS A 81 4.038 -15.457 -3.138 1.00 0.68 N ATOM 1229 CA LYS A 81 4.460 -16.672 -3.829 1.00 0.71 C ATOM 1230 C LYS A 81 5.138 -16.346 -5.157 1.00 0.69 C ATOM 1231 O LYS A 81 5.500 -17.246 -5.914 1.00 0.81 O ATOM 1232 CB LYS A 81 3.263 -17.596 -4.066 1.00 0.76 C ATOM 1233 CG LYS A 81 2.214 -17.016 -4.994 1.00 1.54 C ATOM 1234 CD LYS A 81 1.004 -17.931 -5.103 1.00 1.55 C ATOM 1235 CE LYS A 81 -0.055 -17.350 -6.026 1.00 2.12 C ATOM 1236 NZ LYS A 81 0.457 -17.162 -7.411 1.00 3.02 N ATOM 0 H LYS A 81 3.203 -15.017 -3.525 1.00 0.68 H new ATOM 0 HA LYS A 81 5.183 -17.182 -3.193 1.00 0.71 H new ATOM 0 HB2 LYS A 81 3.620 -18.538 -4.481 1.00 0.76 H new ATOM 0 HB3 LYS A 81 2.799 -17.826 -3.107 1.00 0.76 H new ATOM 0 HG2 LYS A 81 1.901 -16.039 -4.627 1.00 1.54 H new ATOM 0 HG3 LYS A 81 2.646 -16.862 -5.983 1.00 1.54 H new ATOM 0 HD2 LYS A 81 1.317 -18.906 -5.476 1.00 1.55 H new ATOM 0 HD3 LYS A 81 0.577 -18.090 -4.113 1.00 1.55 H new ATOM 0 HE2 LYS A 81 -0.921 -18.011 -6.046 1.00 2.12 H new ATOM 0 HE3 LYS A 81 -0.394 -16.392 -5.631 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 -0.340 -16.977 -8.053 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 1.113 -16.356 -7.432 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 0.956 -18.022 -7.717 1.00 3.02 H new ATOM 1250 N LYS A 82 5.309 -15.057 -5.435 1.00 0.66 N ATOM 1251 CA LYS A 82 5.950 -14.626 -6.673 1.00 0.74 C ATOM 1252 C LYS A 82 7.460 -14.828 -6.594 1.00 0.78 C ATOM 1253 O LYS A 82 7.974 -15.352 -5.607 1.00 0.83 O ATOM 1254 CB LYS A 82 5.643 -13.155 -6.959 1.00 0.72 C ATOM 1255 CG LYS A 82 6.175 -12.205 -5.907 1.00 0.67 C ATOM 1256 CD LYS A 82 6.443 -10.823 -6.484 1.00 0.77 C ATOM 1257 CE LYS A 82 5.162 -10.027 -6.662 1.00 0.76 C ATOM 1258 NZ LYS A 82 4.318 -10.555 -7.770 1.00 1.09 N ATOM 0 H LYS A 82 5.014 -14.296 -4.823 1.00 0.66 H new ATOM 0 HA LYS A 82 5.552 -15.234 -7.485 1.00 0.74 H new ATOM 0 HB2 LYS A 82 6.068 -12.886 -7.926 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.563 -13.027 -7.038 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.457 -12.126 -5.091 1.00 0.67 H new ATOM 0 HG3 LYS A 82 7.095 -12.608 -5.484 1.00 0.67 H new ATOM 0 HD2 LYS A 82 7.120 -10.279 -5.825 1.00 0.77 H new ATOM 0 HD3 LYS A 82 6.946 -10.922 -7.446 1.00 0.77 H new ATOM 0 HE2 LYS A 82 4.592 -10.047 -5.733 1.00 0.76 H new ATOM 0 HE3 LYS A 82 5.409 -8.984 -6.862 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 3.838 -9.765 -8.247 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 4.918 -11.059 -8.453 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 3.608 -11.209 -7.384 1.00 1.09 H new ATOM 1272 N GLN A 83 8.165 -14.408 -7.640 1.00 0.87 N ATOM 1273 CA GLN A 83 9.617 -14.533 -7.677 1.00 0.96 C ATOM 1274 C GLN A 83 10.243 -13.639 -6.613 1.00 0.80 C ATOM 1275 O GLN A 83 10.484 -12.453 -6.847 1.00 0.80 O ATOM 1276 CB GLN A 83 10.148 -14.158 -9.062 1.00 1.22 C ATOM 1277 CG GLN A 83 9.441 -14.880 -10.198 1.00 1.37 C ATOM 1278 CD GLN A 83 9.980 -14.496 -11.561 1.00 1.96 C ATOM 1279 OE1 GLN A 83 10.456 -13.378 -11.762 1.00 2.49 O ATOM 1280 NE2 GLN A 83 9.908 -15.424 -12.507 1.00 2.57 N ATOM 0 H GLN A 83 7.756 -13.980 -8.470 1.00 0.87 H new ATOM 0 HA GLN A 83 9.886 -15.569 -7.472 1.00 0.96 H new ATOM 0 HB2 GLN A 83 10.042 -13.082 -9.204 1.00 1.22 H new ATOM 0 HB3 GLN A 83 11.214 -14.382 -9.107 1.00 1.22 H new ATOM 0 HG2 GLN A 83 9.546 -15.956 -10.060 1.00 1.37 H new ATOM 0 HG3 GLN A 83 8.375 -14.656 -10.157 1.00 1.37 H new ATOM 0 HE21 GLN A 83 9.506 -16.337 -12.296 1.00 2.57 H new ATOM 0 HE22 GLN A 83 10.255 -15.224 -13.445 1.00 2.57 H new ATOM 1289 N GLY A 84 10.497 -14.211 -5.441 1.00 0.98 N ATOM 1290 CA GLY A 84 11.071 -13.445 -4.350 1.00 1.14 C ATOM 1291 C GLY A 84 9.998 -12.748 -3.539 1.00 1.22 C ATOM 1292 O GLY A 84 9.794 -13.062 -2.364 1.00 2.05 O ATOM 0 H GLY A 84 10.316 -15.192 -5.227 1.00 0.98 H new ATOM 0 HA2 GLY A 84 11.646 -14.106 -3.702 1.00 1.14 H new ATOM 0 HA3 GLY A 84 11.766 -12.706 -4.749 1.00 1.14 H new ATOM 1296 N GLY A 85 9.312 -11.799 -4.171 1.00 0.69 N ATOM 1297 CA GLY A 85 8.246 -11.074 -3.511 1.00 0.69 C ATOM 1298 C GLY A 85 8.682 -10.413 -2.222 1.00 0.66 C ATOM 1299 O GLY A 85 9.870 -10.173 -2.005 1.00 0.91 O ATOM 0 H GLY A 85 9.480 -11.519 -5.137 1.00 0.69 H new ATOM 0 HA2 GLY A 85 7.859 -10.313 -4.189 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.425 -11.760 -3.300 1.00 0.69 H new ATOM 1303 N ILE A 86 7.711 -10.123 -1.368 1.00 0.49 N ATOM 1304 CA ILE A 86 7.976 -9.475 -0.093 1.00 0.48 C ATOM 1305 C ILE A 86 8.072 -10.491 1.041 1.00 0.50 C ATOM 1306 O ILE A 86 7.823 -11.682 0.845 1.00 0.53 O ATOM 1307 CB ILE A 86 6.878 -8.447 0.227 1.00 0.45 C ATOM 1308 CG1 ILE A 86 5.517 -9.143 0.337 1.00 0.43 C ATOM 1309 CG2 ILE A 86 6.850 -7.375 -0.853 1.00 0.50 C ATOM 1310 CD1 ILE A 86 4.378 -8.205 0.672 1.00 0.45 C ATOM 0 H ILE A 86 6.726 -10.328 -1.537 1.00 0.49 H new ATOM 0 HA ILE A 86 8.935 -8.965 -0.179 1.00 0.48 H new ATOM 0 HB ILE A 86 7.096 -7.974 1.184 1.00 0.45 H new ATOM 0 HG12 ILE A 86 5.298 -9.644 -0.606 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.576 -9.917 1.103 1.00 0.43 H new ATOM 0 HG21 ILE A 86 6.071 -6.648 -0.624 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.816 -6.872 -0.891 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.643 -7.837 -1.818 1.00 0.50 H new ATOM 0 HD11 ILE A 86 3.448 -8.770 0.733 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.573 -7.723 1.630 1.00 0.45 H new ATOM 0 HD13 ILE A 86 4.291 -7.446 -0.105 1.00 0.45 H new ATOM 1322 N THR A 87 8.433 -10.011 2.228 1.00 0.52 N ATOM 1323 CA THR A 87 8.570 -10.873 3.397 1.00 0.57 C ATOM 1324 C THR A 87 7.210 -11.193 4.011 1.00 0.51 C ATOM 1325 O THR A 87 6.169 -10.855 3.450 1.00 0.48 O ATOM 1326 CB THR A 87 9.463 -10.223 4.470 1.00 0.64 C ATOM 1327 OG1 THR A 87 8.920 -8.956 4.858 1.00 1.18 O ATOM 1328 CG2 THR A 87 10.882 -10.036 3.953 1.00 1.27 C ATOM 0 H THR A 87 8.636 -9.027 2.405 1.00 0.52 H new ATOM 0 HA THR A 87 9.036 -11.797 3.054 1.00 0.57 H new ATOM 0 HB THR A 87 9.493 -10.885 5.335 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.493 -8.550 5.542 1.00 1.18 H new ATOM 0 HG21 THR A 87 11.494 -9.575 4.728 1.00 1.27 H new ATOM 0 HG22 THR A 87 11.303 -11.006 3.687 1.00 1.27 H new ATOM 0 HG23 THR A 87 10.867 -9.393 3.073 1.00 1.27 H new ATOM 1336 N SER A 88 7.232 -11.846 5.170 1.00 0.56 N ATOM 1337 CA SER A 88 6.004 -12.216 5.866 1.00 0.53 C ATOM 1338 C SER A 88 5.445 -11.035 6.654 1.00 0.48 C ATOM 1339 O SER A 88 4.232 -10.902 6.815 1.00 0.48 O ATOM 1340 CB SER A 88 6.264 -13.390 6.810 1.00 0.62 C ATOM 1341 OG SER A 88 5.082 -13.771 7.493 1.00 1.53 O ATOM 0 H SER A 88 8.088 -12.130 5.647 1.00 0.56 H new ATOM 0 HA SER A 88 5.269 -12.512 5.118 1.00 0.53 H new ATOM 0 HB2 SER A 88 6.648 -14.238 6.243 1.00 0.62 H new ATOM 0 HB3 SER A 88 7.032 -13.115 7.533 1.00 0.62 H new ATOM 0 HG SER A 88 5.277 -14.525 8.089 1.00 1.53 H new ATOM 1347 N ASP A 89 6.338 -10.180 7.144 1.00 0.51 N ATOM 1348 CA ASP A 89 5.935 -9.011 7.917 1.00 0.51 C ATOM 1349 C ASP A 89 5.210 -7.998 7.038 1.00 0.44 C ATOM 1350 O ASP A 89 4.322 -7.282 7.502 1.00 0.45 O ATOM 1351 CB ASP A 89 7.158 -8.360 8.568 1.00 0.59 C ATOM 1352 CG ASP A 89 7.827 -9.270 9.579 1.00 1.48 C ATOM 1353 OD1 ASP A 89 7.443 -9.225 10.766 1.00 1.85 O ATOM 1354 OD2 ASP A 89 8.735 -10.030 9.183 1.00 2.34 O ATOM 0 H ASP A 89 7.346 -10.275 7.019 1.00 0.51 H new ATOM 0 HA ASP A 89 5.249 -9.341 8.697 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.877 -8.090 7.795 1.00 0.59 H new ATOM 0 HB3 ASP A 89 6.856 -7.435 9.060 1.00 0.59 H new ATOM 1359 N GLN A 90 5.591 -7.947 5.765 1.00 0.44 N ATOM 1360 CA GLN A 90 4.978 -7.021 4.819 1.00 0.42 C ATOM 1361 C GLN A 90 3.557 -7.454 4.466 1.00 0.39 C ATOM 1362 O GLN A 90 2.622 -6.656 4.531 1.00 0.52 O ATOM 1363 CB GLN A 90 5.829 -6.923 3.549 1.00 0.49 C ATOM 1364 CG GLN A 90 7.065 -6.052 3.710 1.00 0.59 C ATOM 1365 CD GLN A 90 7.942 -6.041 2.472 1.00 0.75 C ATOM 1366 OE1 GLN A 90 8.833 -6.876 2.321 1.00 1.63 O ATOM 1367 NE2 GLN A 90 7.695 -5.088 1.580 1.00 0.91 N ATOM 0 H GLN A 90 6.321 -8.536 5.365 1.00 0.44 H new ATOM 0 HA GLN A 90 4.926 -6.040 5.292 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.137 -7.925 3.250 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.216 -6.524 2.741 1.00 0.49 H new ATOM 0 HG2 GLN A 90 6.758 -5.032 3.941 1.00 0.59 H new ATOM 0 HG3 GLN A 90 7.648 -6.409 4.559 1.00 0.59 H new ATOM 0 HE21 GLN A 90 6.946 -4.416 1.746 1.00 0.91 H new ATOM 0 HE22 GLN A 90 8.255 -5.028 0.729 1.00 0.91 H new ATOM 1376 N ALA A 91 3.402 -8.722 4.099 1.00 0.37 N ATOM 1377 CA ALA A 91 2.095 -9.258 3.731 1.00 0.37 C ATOM 1378 C ALA A 91 1.114 -9.191 4.898 1.00 0.34 C ATOM 1379 O ALA A 91 -0.099 -9.211 4.700 1.00 0.40 O ATOM 1380 CB ALA A 91 2.235 -10.693 3.242 1.00 0.45 C ATOM 0 H ALA A 91 4.164 -9.398 4.048 1.00 0.37 H new ATOM 0 HA ALA A 91 1.696 -8.642 2.925 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.254 -11.082 2.970 1.00 0.45 H new ATOM 0 HB2 ALA A 91 2.889 -10.718 2.371 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.662 -11.307 4.034 1.00 0.45 H new ATOM 1386 N ALA A 92 1.645 -9.107 6.112 1.00 0.31 N ATOM 1387 CA ALA A 92 0.812 -9.044 7.308 1.00 0.33 C ATOM 1388 C ALA A 92 0.022 -7.746 7.380 1.00 0.28 C ATOM 1389 O ALA A 92 -1.145 -7.751 7.762 1.00 0.34 O ATOM 1390 CB ALA A 92 1.669 -9.210 8.554 1.00 0.40 C ATOM 0 H ALA A 92 2.648 -9.081 6.295 1.00 0.31 H new ATOM 0 HA ALA A 92 0.094 -9.862 7.254 1.00 0.33 H new ATOM 0 HB1 ALA A 92 1.036 -9.161 9.440 1.00 0.40 H new ATOM 0 HB2 ALA A 92 2.175 -10.175 8.522 1.00 0.40 H new ATOM 0 HB3 ALA A 92 2.411 -8.413 8.594 1.00 0.40 H new ATOM 1396 N VAL A 93 0.658 -6.639 7.020 1.00 0.26 N ATOM 1397 CA VAL A 93 -0.002 -5.341 7.064 1.00 0.30 C ATOM 1398 C VAL A 93 -0.759 -5.036 5.767 1.00 0.28 C ATOM 1399 O VAL A 93 -1.816 -4.406 5.795 1.00 0.35 O ATOM 1400 CB VAL A 93 1.007 -4.211 7.374 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.309 -3.370 6.142 1.00 0.43 C ATOM 1402 CG2 VAL A 93 0.492 -3.344 8.511 1.00 0.55 C ATOM 0 H VAL A 93 1.625 -6.613 6.696 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.733 -5.387 7.872 1.00 0.30 H new ATOM 0 HB VAL A 93 1.944 -4.674 7.683 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.022 -2.587 6.402 1.00 0.43 H new ATOM 0 HG12 VAL A 93 1.734 -4.004 5.364 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.388 -2.916 5.777 1.00 0.43 H new ATOM 0 HG21 VAL A 93 1.212 -2.552 8.719 1.00 0.55 H new ATOM 0 HG22 VAL A 93 -0.463 -2.901 8.227 1.00 0.55 H new ATOM 0 HG23 VAL A 93 0.357 -3.956 9.403 1.00 0.55 H new ATOM 1412 N ILE A 94 -0.216 -5.480 4.635 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.848 -5.232 3.341 1.00 0.25 C ATOM 1414 C ILE A 94 -2.117 -6.065 3.166 1.00 0.25 C ATOM 1415 O ILE A 94 -3.087 -5.601 2.578 1.00 0.28 O ATOM 1416 CB ILE A 94 0.121 -5.510 2.173 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.430 -4.740 2.374 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.524 -5.123 0.849 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.468 -5.005 1.303 1.00 0.52 C ATOM 0 H ILE A 94 0.654 -6.010 4.587 1.00 0.24 H new ATOM 0 HA ILE A 94 -1.119 -4.176 3.325 1.00 0.25 H new ATOM 0 HB ILE A 94 0.345 -6.576 2.152 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.212 -3.672 2.399 1.00 0.40 H new ATOM 0 HG13 ILE A 94 1.849 -5.002 3.345 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.171 -5.324 0.033 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.434 -5.706 0.703 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.771 -4.061 0.861 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.366 -4.424 1.515 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.717 -6.066 1.292 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.070 -4.715 0.331 1.00 0.52 H new ATOM 1431 N SER A 95 -2.104 -7.293 3.678 1.00 0.27 N ATOM 1432 CA SER A 95 -3.267 -8.184 3.586 1.00 0.34 C ATOM 1433 C SER A 95 -4.474 -7.577 4.292 1.00 0.39 C ATOM 1434 O SER A 95 -5.606 -8.024 4.117 1.00 0.47 O ATOM 1435 CB SER A 95 -2.950 -9.548 4.197 1.00 0.40 C ATOM 1436 OG SER A 95 -4.054 -10.429 4.082 1.00 0.49 O ATOM 0 H SER A 95 -1.303 -7.698 4.162 1.00 0.27 H new ATOM 0 HA SER A 95 -3.504 -8.312 2.530 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.083 -9.980 3.698 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.686 -9.427 5.248 1.00 0.40 H new ATOM 0 HG SER A 95 -3.824 -11.295 4.479 1.00 0.49 H new ATOM 1442 N LYS A 96 -4.208 -6.566 5.101 1.00 0.38 N ATOM 1443 CA LYS A 96 -5.243 -5.885 5.865 1.00 0.46 C ATOM 1444 C LYS A 96 -5.921 -4.804 5.024 1.00 0.45 C ATOM 1445 O LYS A 96 -6.794 -4.082 5.507 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.621 -5.290 7.131 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.529 -6.167 7.711 1.00 0.57 C ATOM 1448 CD LYS A 96 -3.058 -5.672 9.063 1.00 0.80 C ATOM 1449 CE LYS A 96 -4.106 -5.894 10.141 1.00 1.32 C ATOM 1450 NZ LYS A 96 -4.450 -7.335 10.293 1.00 2.12 N ATOM 0 H LYS A 96 -3.270 -6.193 5.248 1.00 0.38 H new ATOM 0 HA LYS A 96 -6.013 -6.603 6.149 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -4.209 -4.307 6.902 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.400 -5.143 7.879 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -3.898 -7.188 7.808 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -2.685 -6.197 7.022 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -2.138 -6.188 9.339 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -2.821 -4.610 8.999 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -3.737 -5.507 11.091 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -5.006 -5.330 9.894 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -5.021 -7.467 11.152 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -4.993 -7.651 9.465 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -3.576 -7.894 10.368 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.499 -4.699 3.767 1.00 0.39 N ATOM 1465 CA PHE A 97 -6.032 -3.702 2.837 1.00 0.40 C ATOM 1466 C PHE A 97 -7.568 -3.642 2.796 1.00 0.48 C ATOM 1467 O PHE A 97 -8.120 -2.671 2.277 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.473 -3.913 1.414 1.00 0.37 C ATOM 1469 CG PHE A 97 -5.362 -5.349 0.946 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -6.044 -6.350 1.625 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.601 -5.704 -0.158 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -5.968 -7.667 1.216 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.526 -7.022 -0.572 1.00 0.50 C ATOM 1474 CZ PHE A 97 -5.106 -7.974 0.054 1.00 0.53 C ATOM 0 H PHE A 97 -4.780 -5.300 3.363 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.695 -2.740 3.224 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -6.108 -3.372 0.713 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.483 -3.459 1.364 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.643 -6.095 2.486 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -4.061 -4.943 -0.701 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.518 -8.444 1.726 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.955 -7.256 -1.459 1.00 0.50 H new ATOM 0 HZ PHE A 97 -4.967 -8.997 -0.264 1.00 0.53 H new ATOM 1484 N TRP A 98 -8.270 -4.650 3.326 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.739 -4.607 3.307 1.00 0.63 C ATOM 1486 C TRP A 98 -10.365 -4.901 4.669 1.00 0.69 C ATOM 1487 O TRP A 98 -11.588 -4.955 4.783 1.00 0.78 O ATOM 1488 CB TRP A 98 -10.331 -5.550 2.247 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.842 -6.970 2.303 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -9.062 -7.587 1.372 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -10.125 -7.960 3.307 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -8.814 -8.885 1.744 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.456 -9.141 2.924 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -10.865 -7.967 4.494 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.507 -10.308 3.681 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -10.915 -9.128 5.244 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.239 -10.283 4.836 1.00 1.00 C ATOM 0 H TRP A 98 -7.864 -5.479 3.760 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.991 -3.580 3.043 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.416 -5.553 2.353 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -10.108 -5.145 1.260 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.692 -7.122 0.470 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -8.243 -9.551 1.224 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.389 -7.080 4.819 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -8.987 -11.201 3.367 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.486 -9.143 6.161 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.296 -11.173 5.445 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.545 -5.087 5.698 1.00 0.75 N ATOM 1509 CA LYS A 99 -10.072 -5.366 7.030 1.00 0.91 C ATOM 1510 C LYS A 99 -9.760 -4.225 7.992 1.00 1.11 C ATOM 1511 O LYS A 99 -10.455 -4.035 8.991 1.00 1.33 O ATOM 1512 CB LYS A 99 -9.517 -6.690 7.563 1.00 0.90 C ATOM 1513 CG LYS A 99 -8.003 -6.713 7.731 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.557 -6.138 9.071 1.00 1.38 C ATOM 1515 CE LYS A 99 -8.218 -6.850 10.240 1.00 1.51 C ATOM 1516 NZ LYS A 99 -7.710 -6.362 11.551 1.00 1.67 N ATOM 0 H LYS A 99 -8.527 -5.051 5.638 1.00 0.75 H new ATOM 0 HA LYS A 99 -11.156 -5.454 6.953 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -9.981 -6.904 8.526 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -9.808 -7.492 6.884 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.646 -7.739 7.642 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.542 -6.144 6.923 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -6.474 -6.222 9.160 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -7.799 -5.076 9.109 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -9.297 -6.702 10.191 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -8.040 -7.922 10.159 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -8.187 -6.874 12.320 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -6.685 -6.527 11.609 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -7.903 -5.344 11.641 1.00 1.67 H new ATOM 1530 N SER A 100 -8.710 -3.471 7.686 1.00 1.14 N ATOM 1531 CA SER A 100 -8.307 -2.345 8.522 1.00 1.47 C ATOM 1532 C SER A 100 -9.156 -1.116 8.219 1.00 1.74 C ATOM 1533 O SER A 100 -9.194 -0.167 9.002 1.00 2.07 O ATOM 1534 CB SER A 100 -6.829 -2.021 8.301 1.00 1.57 C ATOM 1535 OG SER A 100 -6.423 -0.919 9.094 1.00 2.19 O ATOM 0 H SER A 100 -8.122 -3.619 6.866 1.00 1.14 H new ATOM 0 HA SER A 100 -8.459 -2.625 9.564 1.00 1.47 H new ATOM 0 HB2 SER A 100 -6.222 -2.892 8.546 1.00 1.57 H new ATOM 0 HB3 SER A 100 -6.656 -1.798 7.248 1.00 1.57 H new ATOM 0 HG SER A 100 -7.194 -0.339 9.266 1.00 2.19 H new ATOM 1541 N HIS A 101 -9.835 -1.142 7.077 1.00 1.68 N ATOM 1542 CA HIS A 101 -10.679 -0.026 6.663 1.00 2.03 C ATOM 1543 C HIS A 101 -12.097 -0.495 6.345 1.00 2.09 C ATOM 1544 O HIS A 101 -12.779 0.088 5.501 1.00 2.46 O ATOM 1545 CB HIS A 101 -10.075 0.669 5.440 1.00 2.13 C ATOM 1546 CG HIS A 101 -8.722 1.258 5.692 1.00 2.57 C ATOM 1547 ND1 HIS A 101 -7.563 0.742 5.150 1.00 3.26 N ATOM 1548 CD2 HIS A 101 -8.345 2.332 6.427 1.00 3.02 C ATOM 1549 CE1 HIS A 101 -6.533 1.472 5.540 1.00 3.83 C ATOM 1550 NE2 HIS A 101 -6.981 2.443 6.315 1.00 3.65 N ATOM 0 H HIS A 101 -9.818 -1.923 6.422 1.00 1.68 H new ATOM 0 HA HIS A 101 -10.730 0.681 7.491 1.00 2.03 H new ATOM 0 HB2 HIS A 101 -10.003 -0.049 4.623 1.00 2.13 H new ATOM 0 HB3 HIS A 101 -10.750 1.459 5.111 1.00 2.13 H new ATOM 0 HD2 HIS A 101 -8.996 2.980 6.995 1.00 3.02 H new ATOM 0 HE1 HIS A 101 -5.501 1.303 5.271 1.00 3.83 H new ATOM 0 HE2 HIS A 101 -6.407 3.160 6.759 1.00 3.65 H new ATOM 1559 N LYS A 102 -12.540 -1.544 7.031 1.00 1.89 N ATOM 1560 CA LYS A 102 -13.877 -2.083 6.816 1.00 2.04 C ATOM 1561 C LYS A 102 -14.498 -2.554 8.128 1.00 2.27 C ATOM 1562 O LYS A 102 -15.647 -2.234 8.433 1.00 2.71 O ATOM 1563 CB LYS A 102 -13.826 -3.244 5.821 1.00 2.00 C ATOM 1564 CG LYS A 102 -15.197 -3.767 5.416 1.00 2.32 C ATOM 1565 CD LYS A 102 -15.956 -2.763 4.559 1.00 2.80 C ATOM 1566 CE LYS A 102 -15.279 -2.546 3.212 1.00 3.44 C ATOM 1567 NZ LYS A 102 -15.140 -3.816 2.447 1.00 4.27 N ATOM 0 H LYS A 102 -11.994 -2.036 7.738 1.00 1.89 H new ATOM 0 HA LYS A 102 -14.498 -1.286 6.408 1.00 2.04 H new ATOM 0 HB2 LYS A 102 -13.292 -2.921 4.927 1.00 2.00 H new ATOM 0 HB3 LYS A 102 -13.251 -4.060 6.258 1.00 2.00 H new ATOM 0 HG2 LYS A 102 -15.082 -4.701 4.865 1.00 2.32 H new ATOM 0 HG3 LYS A 102 -15.778 -3.994 6.310 1.00 2.32 H new ATOM 0 HD2 LYS A 102 -16.975 -3.116 4.401 1.00 2.80 H new ATOM 0 HD3 LYS A 102 -16.026 -1.813 5.088 1.00 2.80 H new ATOM 0 HE2 LYS A 102 -15.857 -1.831 2.626 1.00 3.44 H new ATOM 0 HE3 LYS A 102 -14.294 -2.107 3.368 1.00 3.44 H new ATOM 0 HZ1 LYS A 102 -14.899 -3.601 1.458 1.00 4.27 H new ATOM 0 HZ2 LYS A 102 -14.386 -4.395 2.869 1.00 4.27 H new ATOM 0 HZ3 LYS A 102 -16.038 -4.340 2.478 1.00 4.27 H new ATOM 1581 N THR A 103 -13.729 -3.317 8.899 1.00 2.56 N ATOM 1582 CA THR A 103 -14.203 -3.840 10.177 1.00 2.99 C ATOM 1583 C THR A 103 -14.486 -2.716 11.166 1.00 3.33 C ATOM 1584 O THR A 103 -13.607 -1.912 11.475 1.00 3.84 O ATOM 1585 CB THR A 103 -13.182 -4.808 10.801 1.00 3.28 C ATOM 1586 OG1 THR A 103 -11.983 -4.104 11.147 1.00 3.44 O ATOM 1587 CG2 THR A 103 -12.852 -5.941 9.840 1.00 3.09 C ATOM 0 H THR A 103 -12.775 -3.587 8.661 1.00 2.56 H new ATOM 0 HA THR A 103 -15.128 -4.378 9.970 1.00 2.99 H new ATOM 0 HB THR A 103 -13.624 -5.234 11.702 1.00 3.28 H new ATOM 0 HG1 THR A 103 -11.296 -4.276 10.470 1.00 3.44 H new ATOM 0 HG21 THR A 103 -12.129 -6.612 10.303 1.00 3.09 H new ATOM 0 HG22 THR A 103 -13.761 -6.494 9.604 1.00 3.09 H new ATOM 0 HG23 THR A 103 -12.430 -5.529 8.923 1.00 3.09 H new ATOM 1595 N LYS A 104 -15.722 -2.671 11.660 1.00 3.34 N ATOM 1596 CA LYS A 104 -16.134 -1.651 12.621 1.00 3.66 C ATOM 1597 C LYS A 104 -15.955 -0.248 12.046 1.00 3.59 C ATOM 1598 O LYS A 104 -15.801 0.723 12.790 1.00 3.95 O ATOM 1599 CB LYS A 104 -15.343 -1.792 13.926 1.00 3.99 C ATOM 1600 CG LYS A 104 -15.750 -2.996 14.766 1.00 4.36 C ATOM 1601 CD LYS A 104 -15.299 -4.303 14.134 1.00 4.62 C ATOM 1602 CE LYS A 104 -15.746 -5.503 14.954 1.00 5.31 C ATOM 1603 NZ LYS A 104 -17.229 -5.567 15.078 1.00 5.72 N ATOM 0 H LYS A 104 -16.457 -3.332 11.409 1.00 3.34 H new ATOM 0 HA LYS A 104 -17.193 -1.800 12.833 1.00 3.66 H new ATOM 0 HB2 LYS A 104 -14.282 -1.868 13.690 1.00 3.99 H new ATOM 0 HB3 LYS A 104 -15.474 -0.887 14.519 1.00 3.99 H new ATOM 0 HG2 LYS A 104 -15.319 -2.906 15.763 1.00 4.36 H new ATOM 0 HG3 LYS A 104 -16.833 -3.005 14.887 1.00 4.36 H new ATOM 0 HD2 LYS A 104 -15.704 -4.379 13.125 1.00 4.62 H new ATOM 0 HD3 LYS A 104 -14.213 -4.308 14.042 1.00 4.62 H new ATOM 0 HE2 LYS A 104 -15.380 -6.418 14.488 1.00 5.31 H new ATOM 0 HE3 LYS A 104 -15.300 -5.451 15.947 1.00 5.31 H new ATOM 0 HZ1 LYS A 104 -17.510 -6.516 15.398 1.00 5.72 H new ATOM 0 HZ2 LYS A 104 -17.550 -4.859 15.769 1.00 5.72 H new ATOM 0 HZ3 LYS A 104 -17.663 -5.371 14.154 1.00 5.72 H new ATOM 1617 N ILE A 105 -15.983 -0.148 10.721 1.00 3.22 N ATOM 1618 CA ILE A 105 -15.830 1.135 10.044 1.00 3.25 C ATOM 1619 C ILE A 105 -16.878 1.299 8.946 1.00 3.33 C ATOM 1620 O ILE A 105 -17.165 2.414 8.507 1.00 3.64 O ATOM 1621 CB ILE A 105 -14.423 1.285 9.436 1.00 3.14 C ATOM 1622 CG1 ILE A 105 -13.364 1.110 10.523 1.00 3.41 C ATOM 1623 CG2 ILE A 105 -14.274 2.648 8.783 1.00 3.22 C ATOM 1624 CD1 ILE A 105 -11.966 0.920 9.980 1.00 3.54 C ATOM 0 H ILE A 105 -16.111 -0.942 10.093 1.00 3.22 H new ATOM 0 HA ILE A 105 -15.971 1.913 10.794 1.00 3.25 H new ATOM 0 HB ILE A 105 -14.286 0.515 8.677 1.00 3.14 H new ATOM 0 HG12 ILE A 105 -13.376 1.984 11.175 1.00 3.41 H new ATOM 0 HG13 ILE A 105 -13.626 0.249 11.139 1.00 3.41 H new ATOM 0 HG21 ILE A 105 -13.275 2.740 8.357 1.00 3.22 H new ATOM 0 HG22 ILE A 105 -15.017 2.756 7.992 1.00 3.22 H new ATOM 0 HG23 ILE A 105 -14.424 3.428 9.530 1.00 3.22 H new ATOM 0 HD11 ILE A 105 -11.267 0.802 10.808 1.00 3.54 H new ATOM 0 HD12 ILE A 105 -11.938 0.030 9.352 1.00 3.54 H new ATOM 0 HD13 ILE A 105 -11.684 1.791 9.388 1.00 3.54 H new ATOM 1636 N ARG A 106 -17.455 0.178 8.513 1.00 3.23 N ATOM 1637 CA ARG A 106 -18.473 0.192 7.467 1.00 3.52 C ATOM 1638 C ARG A 106 -19.570 1.207 7.785 1.00 3.99 C ATOM 1639 O ARG A 106 -19.736 2.198 7.074 1.00 4.49 O ATOM 1640 CB ARG A 106 -19.084 -1.202 7.300 1.00 3.66 C ATOM 1641 CG ARG A 106 -20.169 -1.266 6.236 1.00 4.02 C ATOM 1642 CD ARG A 106 -20.807 -2.645 6.170 1.00 4.54 C ATOM 1643 NE ARG A 106 -21.886 -2.701 5.187 1.00 4.89 N ATOM 1644 CZ ARG A 106 -22.819 -3.647 5.170 1.00 5.64 C ATOM 1645 NH1 ARG A 106 -22.810 -4.612 6.080 1.00 6.13 N ATOM 1646 NH2 ARG A 106 -23.764 -3.630 4.239 1.00 6.18 N ATOM 0 H ARG A 106 -17.233 -0.751 8.872 1.00 3.23 H new ATOM 0 HA ARG A 106 -17.993 0.485 6.533 1.00 3.52 H new ATOM 0 HB2 ARG A 106 -18.294 -1.908 7.045 1.00 3.66 H new ATOM 0 HB3 ARG A 106 -19.502 -1.523 8.254 1.00 3.66 H new ATOM 0 HG2 ARG A 106 -20.934 -0.520 6.451 1.00 4.02 H new ATOM 0 HG3 ARG A 106 -19.742 -1.015 5.265 1.00 4.02 H new ATOM 0 HD2 ARG A 106 -20.047 -3.384 5.917 1.00 4.54 H new ATOM 0 HD3 ARG A 106 -21.197 -2.912 7.152 1.00 4.54 H new ATOM 0 HE ARG A 106 -21.925 -1.973 4.474 1.00 4.89 H new ATOM 0 HH11 ARG A 106 -22.085 -4.630 6.797 1.00 6.13 H new ATOM 0 HH12 ARG A 106 -23.528 -5.336 6.063 1.00 6.13 H new ATOM 0 HH21 ARG A 106 -23.774 -2.891 3.536 1.00 6.18 H new ATOM 0 HH22 ARG A 106 -24.480 -4.356 4.226 1.00 6.18 H new ATOM 1660 N GLU A 107 -20.313 0.953 8.857 1.00 4.18 N ATOM 1661 CA GLU A 107 -21.389 1.847 9.271 1.00 5.05 C ATOM 1662 C GLU A 107 -20.840 3.034 10.057 1.00 5.51 C ATOM 1663 O GLU A 107 -20.054 2.862 10.989 1.00 5.80 O ATOM 1664 CB GLU A 107 -22.413 1.091 10.121 1.00 5.50 C ATOM 1665 CG GLU A 107 -23.081 -0.062 9.388 1.00 6.10 C ATOM 1666 CD GLU A 107 -23.828 0.392 8.149 1.00 6.86 C ATOM 1667 OE1 GLU A 107 -25.029 0.715 8.267 1.00 7.22 O ATOM 1668 OE2 GLU A 107 -23.213 0.425 7.063 1.00 7.31 O ATOM 0 H GLU A 107 -20.190 0.136 9.455 1.00 4.18 H new ATOM 0 HA GLU A 107 -21.878 2.223 8.372 1.00 5.05 H new ATOM 0 HB2 GLU A 107 -21.919 0.706 11.013 1.00 5.50 H new ATOM 0 HB3 GLU A 107 -23.179 1.789 10.458 1.00 5.50 H new ATOM 0 HG2 GLU A 107 -22.325 -0.795 9.105 1.00 6.10 H new ATOM 0 HG3 GLU A 107 -23.774 -0.564 10.063 1.00 6.10 H new ATOM 1675 N SER A 108 -21.257 4.238 9.674 1.00 5.97 N ATOM 1676 CA SER A 108 -20.807 5.453 10.345 1.00 6.78 C ATOM 1677 C SER A 108 -21.932 6.058 11.181 1.00 7.58 C ATOM 1678 O SER A 108 -22.721 6.850 10.625 1.00 8.07 O ATOM 1679 CB SER A 108 -20.309 6.476 9.322 1.00 7.25 C ATOM 1680 OG SER A 108 -19.887 7.671 9.957 1.00 7.76 O ATOM 0 H SER A 108 -21.905 4.398 8.903 1.00 5.97 H new ATOM 0 HA SER A 108 -19.984 5.188 11.009 1.00 6.78 H new ATOM 0 HB2 SER A 108 -19.482 6.052 8.752 1.00 7.25 H new ATOM 0 HB3 SER A 108 -21.104 6.700 8.611 1.00 7.25 H new ATOM 0 HG SER A 108 -19.572 8.307 9.281 1.00 7.76 H new TER 1686 SER A 108