USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 853 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 HIS :FLIP no HD1:sc= -4.93! C(o=-5.6!,f=-4.9!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.68) USER MOD Single : A 37 MET CE :methyl -162:sc= -2.68 (180deg=-3.58!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.0339 K(o=0.034,f=-3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= 0.488 K(o=0.49,f=-4!) USER MOD Single : A 58 GLN : amide:sc= -2.17 K(o=-2.2,f=-3.5!) USER MOD Single : A 60 GLN : amide:sc= -0.536 X(o=-0.54,f=-0.11) USER MOD Single : B 13 HIS :FLIP no HD1:sc= -2.05 F(o=-3.2,f=-2.1) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 31 GLN : amide:sc= -0.0432 X(o=-0.043,f=-0.043) USER MOD Single : B 37 MET CE :methyl -144:sc= -3.18! (180deg=-5.72!) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= -0.0011 K(o=-0.0011,f=-2!) USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 50 HIS : no HE2:sc= 0.0109 K(o=0.011,f=-6.3!) USER MOD Single : B 58 GLN : amide:sc= -0.729 K(o=-0.73,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 72 N ALA A 7 17.588 -2.153 9.861 1.00 2.47 N ATOM 73 CA ALA A 7 16.973 -1.558 8.686 1.00 2.28 C ATOM 74 C ALA A 7 17.327 -2.365 7.444 1.00 2.05 C ATOM 75 O ALA A 7 16.461 -2.694 6.635 1.00 1.85 O ATOM 76 CB ALA A 7 17.422 -0.113 8.526 1.00 2.50 C ATOM 0 HA ALA A 7 15.891 -1.570 8.814 1.00 2.28 H new ATOM 0 HB1 ALA A 7 16.953 0.318 7.642 1.00 2.50 H new ATOM 0 HB2 ALA A 7 17.130 0.458 9.407 1.00 2.50 H new ATOM 0 HB3 ALA A 7 18.506 -0.079 8.415 1.00 2.50 H new ATOM 82 N GLY A 8 18.609 -2.701 7.320 1.00 2.13 N ATOM 83 CA GLY A 8 19.090 -3.443 6.169 1.00 2.02 C ATOM 84 C GLY A 8 18.410 -4.785 6.021 1.00 1.90 C ATOM 85 O GLY A 8 18.011 -5.165 4.923 1.00 1.76 O ATOM 0 H GLY A 8 19.329 -2.469 8.005 1.00 2.13 H new ATOM 0 HA2 GLY A 8 18.926 -2.854 5.266 1.00 2.02 H new ATOM 0 HA3 GLY A 8 20.166 -3.592 6.261 1.00 2.02 H new ATOM 89 N ALA A 9 18.267 -5.500 7.129 1.00 2.01 N ATOM 90 CA ALA A 9 17.604 -6.798 7.122 1.00 1.97 C ATOM 91 C ALA A 9 16.150 -6.669 6.673 1.00 1.73 C ATOM 92 O ALA A 9 15.652 -7.481 5.888 1.00 1.64 O ATOM 93 CB ALA A 9 17.676 -7.433 8.500 1.00 2.19 C ATOM 0 H ALA A 9 18.602 -5.203 8.046 1.00 2.01 H new ATOM 0 HA ALA A 9 18.122 -7.440 6.410 1.00 1.97 H new ATOM 0 HB1 ALA A 9 17.177 -8.402 8.481 1.00 2.19 H new ATOM 0 HB2 ALA A 9 18.720 -7.568 8.784 1.00 2.19 H new ATOM 0 HB3 ALA A 9 17.183 -6.785 9.225 1.00 2.19 H new ATOM 99 N LEU A 10 15.481 -5.635 7.169 1.00 1.68 N ATOM 100 CA LEU A 10 14.090 -5.379 6.827 1.00 1.51 C ATOM 101 C LEU A 10 13.950 -5.051 5.348 1.00 1.33 C ATOM 102 O LEU A 10 13.087 -5.602 4.662 1.00 1.21 O ATOM 103 CB LEU A 10 13.543 -4.246 7.691 1.00 1.62 C ATOM 104 CG LEU A 10 12.173 -3.692 7.282 1.00 1.49 C ATOM 105 CD1 LEU A 10 11.090 -4.749 7.418 1.00 1.55 C ATOM 106 CD2 LEU A 10 11.829 -2.472 8.118 1.00 1.60 C ATOM 0 H LEU A 10 15.885 -4.956 7.814 1.00 1.68 H new ATOM 0 HA LEU A 10 13.508 -6.279 7.024 1.00 1.51 H new ATOM 0 HB2 LEU A 10 13.478 -4.599 8.720 1.00 1.62 H new ATOM 0 HB3 LEU A 10 14.262 -3.427 7.680 1.00 1.62 H new ATOM 0 HG LEU A 10 12.226 -3.399 6.233 1.00 1.49 H new ATOM 0 HD11 LEU A 10 10.130 -4.327 7.121 1.00 1.55 H new ATOM 0 HD12 LEU A 10 11.327 -5.598 6.776 1.00 1.55 H new ATOM 0 HD13 LEU A 10 11.035 -5.082 8.454 1.00 1.55 H new ATOM 0 HD21 LEU A 10 10.854 -2.088 7.818 1.00 1.60 H new ATOM 0 HD22 LEU A 10 11.801 -2.749 9.172 1.00 1.60 H new ATOM 0 HD23 LEU A 10 12.585 -1.702 7.965 1.00 1.60 H new ATOM 118 N LEU A 11 14.814 -4.172 4.861 1.00 1.38 N ATOM 119 CA LEU A 11 14.836 -3.828 3.448 1.00 1.31 C ATOM 120 C LEU A 11 15.082 -5.073 2.616 1.00 1.29 C ATOM 121 O LEU A 11 14.333 -5.373 1.689 1.00 1.22 O ATOM 122 CB LEU A 11 15.936 -2.808 3.156 1.00 1.44 C ATOM 123 CG LEU A 11 15.822 -1.477 3.892 1.00 1.48 C ATOM 124 CD1 LEU A 11 17.044 -0.626 3.598 1.00 1.71 C ATOM 125 CD2 LEU A 11 14.547 -0.749 3.495 1.00 1.43 C ATOM 0 H LEU A 11 15.510 -3.684 5.425 1.00 1.38 H new ATOM 0 HA LEU A 11 13.870 -3.394 3.189 1.00 1.31 H new ATOM 0 HB2 LEU A 11 16.897 -3.258 3.405 1.00 1.44 H new ATOM 0 HB3 LEU A 11 15.945 -2.609 2.084 1.00 1.44 H new ATOM 0 HG LEU A 11 15.775 -1.668 4.964 1.00 1.48 H new ATOM 0 HD11 LEU A 11 16.961 0.325 4.125 1.00 1.71 H new ATOM 0 HD12 LEU A 11 17.940 -1.149 3.932 1.00 1.71 H new ATOM 0 HD13 LEU A 11 17.110 -0.442 2.526 1.00 1.71 H new ATOM 0 HD21 LEU A 11 14.486 0.198 4.032 1.00 1.43 H new ATOM 0 HD22 LEU A 11 14.556 -0.558 2.422 1.00 1.43 H new ATOM 0 HD23 LEU A 11 13.683 -1.365 3.746 1.00 1.43 H new ATOM 137 N ALA A 12 16.124 -5.806 2.982 1.00 1.43 N ATOM 138 CA ALA A 12 16.558 -6.969 2.228 1.00 1.53 C ATOM 139 C ALA A 12 15.452 -8.009 2.087 1.00 1.49 C ATOM 140 O ALA A 12 15.164 -8.463 0.982 1.00 1.51 O ATOM 141 CB ALA A 12 17.779 -7.596 2.878 1.00 1.75 C ATOM 0 H ALA A 12 16.690 -5.610 3.808 1.00 1.43 H new ATOM 0 HA ALA A 12 16.816 -6.624 1.227 1.00 1.53 H new ATOM 0 HB1 ALA A 12 18.092 -8.466 2.301 1.00 1.75 H new ATOM 0 HB2 ALA A 12 18.590 -6.869 2.906 1.00 1.75 H new ATOM 0 HB3 ALA A 12 17.533 -7.904 3.894 1.00 1.75 H new ATOM 147 N HIS A 13 14.821 -8.378 3.200 1.00 1.46 N ATOM 148 CA HIS A 13 13.833 -9.449 3.173 1.00 1.48 C ATOM 149 C HIS A 13 12.554 -8.992 2.469 1.00 1.27 C ATOM 150 O HIS A 13 11.849 -9.797 1.874 1.00 1.32 O ATOM 151 CB HIS A 13 13.555 -9.994 4.588 1.00 1.57 C ATOM 152 CG HIS A 13 12.523 -9.261 5.385 1.00 1.44 C ATOM 153 ND1 HIS A 13 12.640 -8.235 6.249 1.00 1.26 N flip ATOM 154 CD2 HIS A 13 11.193 -9.596 5.370 1.00 1.78 C flip ATOM 155 CE1 HIS A 13 11.390 -7.971 6.746 1.00 1.21 C flip ATOM 156 NE2 HIS A 13 10.536 -8.807 6.193 1.00 1.66 N flip ATOM 0 H HIS A 13 14.974 -7.958 4.117 1.00 1.46 H new ATOM 0 HA HIS A 13 14.244 -10.276 2.594 1.00 1.48 H new ATOM 0 HB2 HIS A 13 13.244 -11.035 4.500 1.00 1.57 H new ATOM 0 HB3 HIS A 13 14.490 -9.987 5.148 1.00 1.57 H new ATOM 0 HD2 HIS A 13 10.754 -10.384 4.776 1.00 1.78 H new ATOM 0 HE1 HIS A 13 11.147 -7.206 7.469 1.00 1.21 H new ATOM 0 HE2 HIS A 13 9.532 -8.838 6.373 1.00 1.66 H new ATOM 165 N ALA A 14 12.272 -7.693 2.518 1.00 1.09 N ATOM 166 CA ALA A 14 11.106 -7.145 1.831 1.00 0.94 C ATOM 167 C ALA A 14 11.380 -7.012 0.337 1.00 1.00 C ATOM 168 O ALA A 14 10.522 -7.313 -0.496 1.00 1.04 O ATOM 169 CB ALA A 14 10.718 -5.798 2.424 1.00 0.84 C ATOM 0 H ALA A 14 12.830 -7.004 3.022 1.00 1.09 H new ATOM 0 HA ALA A 14 10.272 -7.833 1.969 1.00 0.94 H new ATOM 0 HB1 ALA A 14 9.847 -5.406 1.898 1.00 0.84 H new ATOM 0 HB2 ALA A 14 10.479 -5.921 3.480 1.00 0.84 H new ATOM 0 HB3 ALA A 14 11.549 -5.101 2.318 1.00 0.84 H new ATOM 175 N ALA A 15 12.587 -6.571 0.007 1.00 1.08 N ATOM 176 CA ALA A 15 13.002 -6.415 -1.380 1.00 1.19 C ATOM 177 C ALA A 15 13.093 -7.765 -2.075 1.00 1.37 C ATOM 178 O ALA A 15 12.740 -7.894 -3.245 1.00 1.46 O ATOM 179 CB ALA A 15 14.342 -5.697 -1.457 1.00 1.27 C ATOM 0 H ALA A 15 13.301 -6.313 0.688 1.00 1.08 H new ATOM 0 HA ALA A 15 12.250 -5.814 -1.891 1.00 1.19 H new ATOM 0 HB1 ALA A 15 14.637 -5.589 -2.501 1.00 1.27 H new ATOM 0 HB2 ALA A 15 14.253 -4.711 -1.001 1.00 1.27 H new ATOM 0 HB3 ALA A 15 15.096 -6.276 -0.925 1.00 1.27 H new ATOM 185 N SER A 16 13.560 -8.768 -1.341 1.00 1.47 N ATOM 186 CA SER A 16 13.700 -10.115 -1.877 1.00 1.68 C ATOM 187 C SER A 16 12.327 -10.746 -2.126 1.00 1.68 C ATOM 188 O SER A 16 12.189 -11.664 -2.941 1.00 1.89 O ATOM 189 CB SER A 16 14.529 -10.977 -0.917 1.00 1.83 C ATOM 190 OG SER A 16 14.907 -12.200 -1.518 1.00 2.28 O ATOM 0 H SER A 16 13.849 -8.672 -0.368 1.00 1.47 H new ATOM 0 HA SER A 16 14.220 -10.058 -2.833 1.00 1.68 H new ATOM 0 HB2 SER A 16 15.420 -10.429 -0.611 1.00 1.83 H new ATOM 0 HB3 SER A 16 13.952 -11.177 -0.014 1.00 1.83 H new ATOM 0 HG SER A 16 15.435 -12.727 -0.883 1.00 2.28 H new ATOM 196 N LEU A 17 11.309 -10.249 -1.427 1.00 1.47 N ATOM 197 CA LEU A 17 9.943 -10.692 -1.662 1.00 1.48 C ATOM 198 C LEU A 17 9.340 -9.910 -2.821 1.00 1.43 C ATOM 199 O LEU A 17 8.447 -10.389 -3.517 1.00 1.55 O ATOM 200 CB LEU A 17 9.083 -10.497 -0.407 1.00 1.34 C ATOM 201 CG LEU A 17 9.505 -11.303 0.822 1.00 1.42 C ATOM 202 CD1 LEU A 17 8.611 -10.964 2.001 1.00 1.31 C ATOM 203 CD2 LEU A 17 9.459 -12.794 0.533 1.00 1.65 C ATOM 0 H LEU A 17 11.406 -9.543 -0.697 1.00 1.47 H new ATOM 0 HA LEU A 17 9.963 -11.754 -1.907 1.00 1.48 H new ATOM 0 HB2 LEU A 17 9.092 -9.439 -0.145 1.00 1.34 H new ATOM 0 HB3 LEU A 17 8.053 -10.756 -0.652 1.00 1.34 H new ATOM 0 HG LEU A 17 10.532 -11.038 1.071 1.00 1.42 H new ATOM 0 HD11 LEU A 17 8.920 -11.544 2.871 1.00 1.31 H new ATOM 0 HD12 LEU A 17 8.693 -9.901 2.226 1.00 1.31 H new ATOM 0 HD13 LEU A 17 7.577 -11.204 1.754 1.00 1.31 H new ATOM 0 HD21 LEU A 17 9.763 -13.346 1.422 1.00 1.65 H new ATOM 0 HD22 LEU A 17 8.444 -13.080 0.258 1.00 1.65 H new ATOM 0 HD23 LEU A 17 10.137 -13.026 -0.288 1.00 1.65 H new ATOM 215 N GLY A 18 9.858 -8.712 -3.043 1.00 1.28 N ATOM 216 CA GLY A 18 9.376 -7.887 -4.123 1.00 1.27 C ATOM 217 C GLY A 18 8.431 -6.799 -3.657 1.00 1.15 C ATOM 218 O GLY A 18 7.714 -6.214 -4.466 1.00 1.27 O ATOM 0 H GLY A 18 10.608 -8.297 -2.489 1.00 1.28 H new ATOM 0 HA2 GLY A 18 10.225 -7.430 -4.632 1.00 1.27 H new ATOM 0 HA3 GLY A 18 8.867 -8.515 -4.854 1.00 1.27 H new ATOM 222 N VAL A 19 8.423 -6.524 -2.356 1.00 0.99 N ATOM 223 CA VAL A 19 7.596 -5.451 -1.820 1.00 0.89 C ATOM 224 C VAL A 19 8.171 -4.103 -2.242 1.00 0.86 C ATOM 225 O VAL A 19 9.291 -3.755 -1.873 1.00 0.84 O ATOM 226 CB VAL A 19 7.492 -5.497 -0.278 1.00 0.76 C ATOM 227 CG1 VAL A 19 6.604 -4.373 0.230 1.00 0.74 C ATOM 228 CG2 VAL A 19 6.961 -6.842 0.195 1.00 0.87 C ATOM 0 H VAL A 19 8.975 -7.025 -1.660 1.00 0.99 H new ATOM 0 HA VAL A 19 6.592 -5.586 -2.223 1.00 0.89 H new ATOM 0 HB VAL A 19 8.494 -5.364 0.130 1.00 0.76 H new ATOM 0 HG11 VAL A 19 6.542 -4.421 1.317 1.00 0.74 H new ATOM 0 HG12 VAL A 19 7.026 -3.413 -0.067 1.00 0.74 H new ATOM 0 HG13 VAL A 19 5.606 -4.478 -0.195 1.00 0.74 H new ATOM 0 HG21 VAL A 19 6.898 -6.846 1.283 1.00 0.87 H new ATOM 0 HG22 VAL A 19 5.970 -7.010 -0.226 1.00 0.87 H new ATOM 0 HG23 VAL A 19 7.634 -7.634 -0.133 1.00 0.87 H new ATOM 238 N ARG A 20 7.417 -3.371 -3.047 1.00 0.95 N ATOM 239 CA ARG A 20 7.874 -2.092 -3.575 1.00 1.00 C ATOM 240 C ARG A 20 6.825 -1.003 -3.389 1.00 1.04 C ATOM 241 O ARG A 20 5.643 -1.219 -3.650 1.00 1.14 O ATOM 242 CB ARG A 20 8.229 -2.238 -5.056 1.00 1.23 C ATOM 243 CG ARG A 20 9.454 -3.103 -5.269 1.00 1.42 C ATOM 244 CD ARG A 20 9.804 -3.285 -6.734 1.00 1.62 C ATOM 245 NE ARG A 20 11.175 -3.781 -6.874 1.00 1.83 N ATOM 246 CZ ARG A 20 11.749 -4.130 -8.022 1.00 2.15 C ATOM 247 NH1 ARG A 20 11.066 -4.115 -9.155 1.00 2.44 N ATOM 248 NH2 ARG A 20 13.022 -4.508 -8.024 1.00 2.67 N ATOM 0 H ARG A 20 6.482 -3.641 -3.351 1.00 0.95 H new ATOM 0 HA ARG A 20 8.762 -1.794 -3.017 1.00 1.00 H new ATOM 0 HB2 ARG A 20 7.383 -2.672 -5.589 1.00 1.23 H new ATOM 0 HB3 ARG A 20 8.404 -1.251 -5.485 1.00 1.23 H new ATOM 0 HG2 ARG A 20 10.302 -2.655 -4.751 1.00 1.42 H new ATOM 0 HG3 ARG A 20 9.285 -4.081 -4.817 1.00 1.42 H new ATOM 0 HD2 ARG A 20 9.108 -3.985 -7.196 1.00 1.62 H new ATOM 0 HD3 ARG A 20 9.698 -2.336 -7.260 1.00 1.62 H new ATOM 0 HE ARG A 20 11.733 -3.865 -6.025 1.00 1.83 H new ATOM 0 HH11 ARG A 20 10.086 -3.833 -9.156 1.00 2.44 H new ATOM 0 HH12 ARG A 20 11.520 -4.385 -10.028 1.00 2.44 H new ATOM 0 HH21 ARG A 20 13.549 -4.529 -7.151 1.00 2.67 H new ATOM 0 HH22 ARG A 20 13.473 -4.778 -8.898 1.00 2.67 H new ATOM 262 N LEU A 21 7.264 0.156 -2.920 1.00 1.06 N ATOM 263 CA LEU A 21 6.393 1.314 -2.772 1.00 1.22 C ATOM 264 C LEU A 21 7.026 2.524 -3.437 1.00 1.41 C ATOM 265 O LEU A 21 8.211 2.787 -3.247 1.00 1.45 O ATOM 266 CB LEU A 21 6.131 1.640 -1.295 1.00 1.18 C ATOM 267 CG LEU A 21 5.262 0.648 -0.516 1.00 1.09 C ATOM 268 CD1 LEU A 21 6.063 -0.574 -0.095 1.00 0.89 C ATOM 269 CD2 LEU A 21 4.653 1.325 0.700 1.00 1.23 C ATOM 0 H LEU A 21 8.229 0.320 -2.633 1.00 1.06 H new ATOM 0 HA LEU A 21 5.443 1.073 -3.248 1.00 1.22 H new ATOM 0 HB2 LEU A 21 7.093 1.721 -0.788 1.00 1.18 H new ATOM 0 HB3 LEU A 21 5.659 2.621 -1.241 1.00 1.18 H new ATOM 0 HG LEU A 21 4.460 0.313 -1.174 1.00 1.09 H new ATOM 0 HD11 LEU A 21 5.419 -1.259 0.456 1.00 0.89 H new ATOM 0 HD12 LEU A 21 6.454 -1.076 -0.980 1.00 0.89 H new ATOM 0 HD13 LEU A 21 6.892 -0.264 0.542 1.00 0.89 H new ATOM 0 HD21 LEU A 21 4.038 0.609 1.245 1.00 1.23 H new ATOM 0 HD22 LEU A 21 5.448 1.689 1.350 1.00 1.23 H new ATOM 0 HD23 LEU A 21 4.035 2.163 0.378 1.00 1.23 H new ATOM 281 N TRP A 22 6.245 3.252 -4.218 1.00 1.61 N ATOM 282 CA TRP A 22 6.729 4.471 -4.853 1.00 1.82 C ATOM 283 C TRP A 22 5.575 5.436 -5.085 1.00 2.04 C ATOM 284 O TRP A 22 4.440 5.014 -5.286 1.00 2.09 O ATOM 285 CB TRP A 22 7.446 4.156 -6.179 1.00 1.87 C ATOM 286 CG TRP A 22 6.550 3.613 -7.260 1.00 1.96 C ATOM 287 CD1 TRP A 22 6.049 4.301 -8.329 1.00 2.19 C ATOM 288 CD2 TRP A 22 6.055 2.274 -7.381 1.00 1.86 C ATOM 289 NE1 TRP A 22 5.271 3.473 -9.105 1.00 2.26 N ATOM 290 CE2 TRP A 22 5.259 2.224 -8.541 1.00 2.06 C ATOM 291 CE3 TRP A 22 6.205 1.113 -6.618 1.00 1.64 C ATOM 292 CZ2 TRP A 22 4.618 1.057 -8.953 1.00 2.08 C ATOM 293 CZ3 TRP A 22 5.569 -0.040 -7.027 1.00 1.66 C ATOM 294 CH2 TRP A 22 4.784 -0.062 -8.183 1.00 1.88 C ATOM 0 H TRP A 22 5.274 3.022 -4.429 1.00 1.61 H new ATOM 0 HA TRP A 22 7.451 4.941 -4.185 1.00 1.82 H new ATOM 0 HB2 TRP A 22 7.924 5.065 -6.544 1.00 1.87 H new ATOM 0 HB3 TRP A 22 8.239 3.434 -5.986 1.00 1.87 H new ATOM 0 HD1 TRP A 22 6.237 5.344 -8.535 1.00 2.19 H new ATOM 0 HE1 TRP A 22 4.784 3.744 -9.959 1.00 2.26 H new ATOM 0 HE3 TRP A 22 6.809 1.119 -5.723 1.00 1.64 H new ATOM 0 HZ2 TRP A 22 4.013 1.037 -9.847 1.00 2.08 H new ATOM 0 HZ3 TRP A 22 5.679 -0.942 -6.444 1.00 1.66 H new ATOM 0 HH2 TRP A 22 4.298 -0.981 -8.475 1.00 1.88 H new ATOM 305 N VAL A 23 5.859 6.726 -5.044 1.00 2.21 N ATOM 306 CA VAL A 23 4.838 7.729 -5.296 1.00 2.44 C ATOM 307 C VAL A 23 4.758 8.021 -6.790 1.00 2.71 C ATOM 308 O VAL A 23 5.772 8.275 -7.444 1.00 2.81 O ATOM 309 CB VAL A 23 5.098 9.024 -4.493 1.00 2.66 C ATOM 310 CG1 VAL A 23 6.472 9.596 -4.802 1.00 2.85 C ATOM 311 CG2 VAL A 23 4.012 10.056 -4.761 1.00 2.92 C ATOM 0 H VAL A 23 6.784 7.103 -4.839 1.00 2.21 H new ATOM 0 HA VAL A 23 3.880 7.332 -4.960 1.00 2.44 H new ATOM 0 HB VAL A 23 5.072 8.769 -3.434 1.00 2.66 H new ATOM 0 HG11 VAL A 23 6.626 10.506 -4.222 1.00 2.85 H new ATOM 0 HG12 VAL A 23 7.237 8.865 -4.540 1.00 2.85 H new ATOM 0 HG13 VAL A 23 6.539 9.827 -5.865 1.00 2.85 H new ATOM 0 HG21 VAL A 23 4.217 10.958 -4.185 1.00 2.92 H new ATOM 0 HG22 VAL A 23 3.996 10.300 -5.823 1.00 2.92 H new ATOM 0 HG23 VAL A 23 3.044 9.650 -4.467 1.00 2.92 H new ATOM 321 N GLU A 24 3.555 7.958 -7.331 1.00 2.84 N ATOM 322 CA GLU A 24 3.358 8.083 -8.761 1.00 3.15 C ATOM 323 C GLU A 24 2.230 9.061 -9.051 1.00 3.47 C ATOM 324 O GLU A 24 1.064 8.785 -8.763 1.00 3.45 O ATOM 325 CB GLU A 24 3.037 6.713 -9.344 1.00 3.09 C ATOM 326 CG GLU A 24 3.068 6.646 -10.854 1.00 3.44 C ATOM 327 CD GLU A 24 2.717 5.263 -11.350 1.00 3.75 C ATOM 328 OE1 GLU A 24 3.605 4.387 -11.357 1.00 4.20 O ATOM 329 OE2 GLU A 24 1.541 5.038 -11.709 1.00 4.16 O ATOM 0 H GLU A 24 2.697 7.820 -6.797 1.00 2.84 H new ATOM 0 HA GLU A 24 4.269 8.465 -9.222 1.00 3.15 H new ATOM 0 HB2 GLU A 24 3.748 5.989 -8.947 1.00 3.09 H new ATOM 0 HB3 GLU A 24 2.048 6.410 -9.001 1.00 3.09 H new ATOM 0 HG2 GLU A 24 2.367 7.371 -11.267 1.00 3.44 H new ATOM 0 HG3 GLU A 24 4.060 6.922 -11.212 1.00 3.44 H new ATOM 336 N GLY A 25 2.585 10.208 -9.607 1.00 3.78 N ATOM 337 CA GLY A 25 1.599 11.227 -9.896 1.00 4.13 C ATOM 338 C GLY A 25 1.090 11.886 -8.635 1.00 4.12 C ATOM 339 O GLY A 25 1.766 12.743 -8.061 1.00 4.20 O ATOM 0 H GLY A 25 3.541 10.452 -9.864 1.00 3.78 H new ATOM 0 HA2 GLY A 25 2.036 11.982 -10.550 1.00 4.13 H new ATOM 0 HA3 GLY A 25 0.764 10.782 -10.437 1.00 4.13 H new ATOM 343 N GLU A 26 -0.093 11.485 -8.198 1.00 4.08 N ATOM 344 CA GLU A 26 -0.676 12.024 -6.979 1.00 4.12 C ATOM 345 C GLU A 26 -0.855 10.943 -5.917 1.00 3.62 C ATOM 346 O GLU A 26 -1.272 11.235 -4.797 1.00 3.64 O ATOM 347 CB GLU A 26 -2.028 12.681 -7.266 1.00 4.51 C ATOM 348 CG GLU A 26 -3.040 11.740 -7.895 1.00 5.05 C ATOM 349 CD GLU A 26 -4.400 11.823 -7.239 1.00 4.66 C ATOM 350 OE1 GLU A 26 -5.052 12.886 -7.336 1.00 4.88 O ATOM 351 OE2 GLU A 26 -4.828 10.826 -6.618 1.00 5.15 O ATOM 0 H GLU A 26 -0.669 10.788 -8.669 1.00 4.08 H new ATOM 0 HA GLU A 26 0.017 12.774 -6.598 1.00 4.12 H new ATOM 0 HB2 GLU A 26 -2.438 13.072 -6.335 1.00 4.51 H new ATOM 0 HB3 GLU A 26 -1.875 13.533 -7.929 1.00 4.51 H new ATOM 0 HG2 GLU A 26 -3.138 11.974 -8.955 1.00 5.05 H new ATOM 0 HG3 GLU A 26 -2.670 10.717 -7.827 1.00 5.05 H new ATOM 358 N ARG A 27 -0.546 9.692 -6.252 1.00 3.25 N ATOM 359 CA ARG A 27 -0.807 8.600 -5.327 1.00 2.79 C ATOM 360 C ARG A 27 0.376 7.649 -5.223 1.00 2.64 C ATOM 361 O ARG A 27 1.157 7.495 -6.158 1.00 2.74 O ATOM 362 CB ARG A 27 -2.049 7.818 -5.753 1.00 2.61 C ATOM 363 CG ARG A 27 -2.717 7.072 -4.607 1.00 2.49 C ATOM 364 CD ARG A 27 -3.155 8.045 -3.522 1.00 3.08 C ATOM 365 NE ARG A 27 -3.891 9.188 -4.083 1.00 3.76 N ATOM 366 CZ ARG A 27 -4.267 10.267 -3.393 1.00 4.65 C ATOM 367 NH1 ARG A 27 -4.011 10.364 -2.096 1.00 5.01 N ATOM 368 NH2 ARG A 27 -4.893 11.260 -4.009 1.00 5.38 N ATOM 0 H ARG A 27 -0.124 9.416 -7.138 1.00 3.25 H new ATOM 0 HA ARG A 27 -0.974 9.047 -4.347 1.00 2.79 H new ATOM 0 HB2 ARG A 27 -2.768 8.507 -6.196 1.00 2.61 H new ATOM 0 HB3 ARG A 27 -1.771 7.104 -6.528 1.00 2.61 H new ATOM 0 HG2 ARG A 27 -3.580 6.520 -4.979 1.00 2.49 H new ATOM 0 HG3 ARG A 27 -2.026 6.340 -4.190 1.00 2.49 H new ATOM 0 HD2 ARG A 27 -3.785 7.526 -2.800 1.00 3.08 H new ATOM 0 HD3 ARG A 27 -2.280 8.405 -2.981 1.00 3.08 H new ATOM 0 HE ARG A 27 -4.132 9.154 -5.073 1.00 3.76 H new ATOM 0 HH11 ARG A 27 -3.522 9.609 -1.615 1.00 5.01 H new ATOM 0 HH12 ARG A 27 -4.303 11.193 -1.579 1.00 5.01 H new ATOM 0 HH21 ARG A 27 -5.087 11.199 -5.009 1.00 5.38 H new ATOM 0 HH22 ARG A 27 -5.181 12.085 -3.483 1.00 5.38 H new ATOM 382 N LEU A 28 0.489 7.013 -4.072 1.00 2.44 N ATOM 383 CA LEU A 28 1.513 6.015 -3.836 1.00 2.27 C ATOM 384 C LEU A 28 1.081 4.681 -4.437 1.00 2.10 C ATOM 385 O LEU A 28 -0.061 4.255 -4.268 1.00 2.02 O ATOM 386 CB LEU A 28 1.762 5.895 -2.326 1.00 2.25 C ATOM 387 CG LEU A 28 2.887 4.946 -1.895 1.00 2.00 C ATOM 388 CD1 LEU A 28 3.505 5.422 -0.591 1.00 2.23 C ATOM 389 CD2 LEU A 28 2.362 3.526 -1.730 1.00 2.15 C ATOM 0 H LEU A 28 -0.127 7.174 -3.275 1.00 2.44 H new ATOM 0 HA LEU A 28 2.445 6.312 -4.317 1.00 2.27 H new ATOM 0 HB2 LEU A 28 1.985 6.888 -1.936 1.00 2.25 H new ATOM 0 HB3 LEU A 28 0.837 5.566 -1.852 1.00 2.25 H new ATOM 0 HG LEU A 28 3.650 4.946 -2.674 1.00 2.00 H new ATOM 0 HD11 LEU A 28 4.302 4.740 -0.296 1.00 2.23 H new ATOM 0 HD12 LEU A 28 3.915 6.423 -0.727 1.00 2.23 H new ATOM 0 HD13 LEU A 28 2.741 5.445 0.186 1.00 2.23 H new ATOM 0 HD21 LEU A 28 3.177 2.870 -1.424 1.00 2.15 H new ATOM 0 HD22 LEU A 28 1.581 3.513 -0.970 1.00 2.15 H new ATOM 0 HD23 LEU A 28 1.952 3.177 -2.678 1.00 2.15 H new ATOM 401 N ARG A 29 1.987 4.053 -5.167 1.00 2.11 N ATOM 402 CA ARG A 29 1.749 2.735 -5.730 1.00 2.02 C ATOM 403 C ARG A 29 2.412 1.677 -4.864 1.00 1.76 C ATOM 404 O ARG A 29 3.522 1.873 -4.367 1.00 1.70 O ATOM 405 CB ARG A 29 2.294 2.637 -7.157 1.00 2.24 C ATOM 406 CG ARG A 29 1.309 3.018 -8.252 1.00 2.78 C ATOM 407 CD ARG A 29 0.764 4.419 -8.063 1.00 2.72 C ATOM 408 NE ARG A 29 0.130 4.926 -9.281 1.00 3.29 N ATOM 409 CZ ARG A 29 -1.060 5.520 -9.307 1.00 3.54 C ATOM 410 NH1 ARG A 29 -1.744 5.674 -8.184 1.00 3.42 N ATOM 411 NH2 ARG A 29 -1.562 5.959 -10.453 1.00 4.22 N ATOM 0 H ARG A 29 2.905 4.441 -5.385 1.00 2.11 H new ATOM 0 HA ARG A 29 0.672 2.570 -5.758 1.00 2.02 H new ATOM 0 HB2 ARG A 29 3.171 3.279 -7.239 1.00 2.24 H new ATOM 0 HB3 ARG A 29 2.630 1.615 -7.332 1.00 2.24 H new ATOM 0 HG2 ARG A 29 1.801 2.948 -9.222 1.00 2.78 H new ATOM 0 HG3 ARG A 29 0.484 2.306 -8.261 1.00 2.78 H new ATOM 0 HD2 ARG A 29 0.039 4.420 -7.249 1.00 2.72 H new ATOM 0 HD3 ARG A 29 1.574 5.087 -7.770 1.00 2.72 H new ATOM 0 HE ARG A 29 0.631 4.817 -10.163 1.00 3.29 H new ATOM 0 HH11 ARG A 29 -1.358 5.338 -7.302 1.00 3.42 H new ATOM 0 HH12 ARG A 29 -2.657 6.129 -8.201 1.00 3.42 H new ATOM 0 HH21 ARG A 29 -1.035 5.842 -11.319 1.00 4.22 H new ATOM 0 HH22 ARG A 29 -2.475 6.414 -10.469 1.00 4.22 H new ATOM 425 N PHE A 30 1.728 0.564 -4.695 1.00 1.65 N ATOM 426 CA PHE A 30 2.209 -0.514 -3.854 1.00 1.43 C ATOM 427 C PHE A 30 2.315 -1.783 -4.685 1.00 1.49 C ATOM 428 O PHE A 30 1.383 -2.134 -5.406 1.00 1.69 O ATOM 429 CB PHE A 30 1.230 -0.714 -2.699 1.00 1.35 C ATOM 430 CG PHE A 30 1.848 -1.276 -1.438 1.00 1.14 C ATOM 431 CD1 PHE A 30 2.578 -2.457 -1.450 1.00 1.69 C ATOM 432 CD2 PHE A 30 1.684 -0.615 -0.230 1.00 1.50 C ATOM 433 CE1 PHE A 30 3.131 -2.958 -0.289 1.00 1.62 C ATOM 434 CE2 PHE A 30 2.232 -1.116 0.935 1.00 1.47 C ATOM 435 CZ PHE A 30 2.955 -2.290 0.906 1.00 0.99 C ATOM 0 H PHE A 30 0.826 0.381 -5.135 1.00 1.65 H new ATOM 0 HA PHE A 30 3.192 -0.273 -3.451 1.00 1.43 H new ATOM 0 HB2 PHE A 30 0.765 0.244 -2.464 1.00 1.35 H new ATOM 0 HB3 PHE A 30 0.434 -1.383 -3.027 1.00 1.35 H new ATOM 0 HD1 PHE A 30 2.715 -2.990 -2.379 1.00 1.69 H new ATOM 0 HD2 PHE A 30 1.119 0.305 -0.200 1.00 1.50 H new ATOM 0 HE1 PHE A 30 3.702 -3.874 -0.316 1.00 1.62 H new ATOM 0 HE2 PHE A 30 2.094 -0.589 1.867 1.00 1.47 H new ATOM 0 HZ PHE A 30 3.382 -2.686 1.816 1.00 0.99 H new ATOM 445 N GLN A 31 3.450 -2.450 -4.597 1.00 1.37 N ATOM 446 CA GLN A 31 3.653 -3.705 -5.298 1.00 1.46 C ATOM 447 C GLN A 31 4.014 -4.794 -4.301 1.00 1.31 C ATOM 448 O GLN A 31 5.014 -4.683 -3.593 1.00 1.14 O ATOM 449 CB GLN A 31 4.759 -3.573 -6.348 1.00 1.58 C ATOM 450 CG GLN A 31 4.851 -4.787 -7.254 1.00 1.74 C ATOM 451 CD GLN A 31 3.640 -4.926 -8.156 1.00 2.14 C ATOM 452 OE1 GLN A 31 3.074 -3.935 -8.617 1.00 2.68 O ATOM 453 NE2 GLN A 31 3.202 -6.152 -8.371 1.00 2.52 N ATOM 0 H GLN A 31 4.250 -2.142 -4.044 1.00 1.37 H new ATOM 0 HA GLN A 31 2.727 -3.969 -5.809 1.00 1.46 H new ATOM 0 HB2 GLN A 31 4.576 -2.685 -6.954 1.00 1.58 H new ATOM 0 HB3 GLN A 31 5.715 -3.425 -5.846 1.00 1.58 H new ATOM 0 HG2 GLN A 31 5.750 -4.714 -7.866 1.00 1.74 H new ATOM 0 HG3 GLN A 31 4.952 -5.685 -6.645 1.00 1.74 H new ATOM 0 HE21 GLN A 31 3.699 -6.948 -7.972 1.00 2.52 H new ATOM 0 HE22 GLN A 31 2.367 -6.303 -8.937 1.00 2.52 H new ATOM 462 N ALA A 32 3.194 -5.833 -4.235 1.00 1.43 N ATOM 463 CA ALA A 32 3.435 -6.933 -3.315 1.00 1.36 C ATOM 464 C ALA A 32 2.822 -8.222 -3.840 1.00 1.55 C ATOM 465 O ALA A 32 1.662 -8.248 -4.244 1.00 1.69 O ATOM 466 CB ALA A 32 2.877 -6.606 -1.941 1.00 1.25 C ATOM 0 H ALA A 32 2.356 -5.937 -4.808 1.00 1.43 H new ATOM 0 HA ALA A 32 4.512 -7.076 -3.231 1.00 1.36 H new ATOM 0 HB1 ALA A 32 3.065 -7.439 -1.264 1.00 1.25 H new ATOM 0 HB2 ALA A 32 3.361 -5.709 -1.556 1.00 1.25 H new ATOM 0 HB3 ALA A 32 1.803 -6.435 -2.016 1.00 1.25 H new ATOM 472 N PRO A 33 3.615 -9.298 -3.882 1.00 1.60 N ATOM 473 CA PRO A 33 3.123 -10.629 -4.242 1.00 1.79 C ATOM 474 C PRO A 33 2.056 -11.133 -3.268 1.00 1.78 C ATOM 475 O PRO A 33 2.008 -10.722 -2.105 1.00 1.62 O ATOM 476 CB PRO A 33 4.373 -11.511 -4.162 1.00 1.82 C ATOM 477 CG PRO A 33 5.517 -10.567 -4.275 1.00 1.84 C ATOM 478 CD PRO A 33 5.060 -9.297 -3.621 1.00 1.52 C ATOM 0 HA PRO A 33 2.646 -10.633 -5.222 1.00 1.79 H new ATOM 0 HB2 PRO A 33 4.408 -12.063 -3.222 1.00 1.82 H new ATOM 0 HB3 PRO A 33 4.388 -12.248 -4.965 1.00 1.82 H new ATOM 0 HG2 PRO A 33 6.403 -10.965 -3.781 1.00 1.84 H new ATOM 0 HG3 PRO A 33 5.783 -10.397 -5.318 1.00 1.84 H new ATOM 0 HD2 PRO A 33 5.278 -9.291 -2.553 1.00 1.52 H new ATOM 0 HD3 PRO A 33 5.548 -8.422 -4.051 1.00 1.52 H new ATOM 486 N PRO A 34 1.179 -12.030 -3.728 1.00 1.96 N ATOM 487 CA PRO A 34 0.111 -12.568 -2.894 1.00 1.97 C ATOM 488 C PRO A 34 0.649 -13.445 -1.766 1.00 1.88 C ATOM 489 O PRO A 34 1.355 -14.423 -2.003 1.00 1.95 O ATOM 490 CB PRO A 34 -0.736 -13.390 -3.870 1.00 2.20 C ATOM 491 CG PRO A 34 0.169 -13.707 -5.012 1.00 2.31 C ATOM 492 CD PRO A 34 1.164 -12.582 -5.093 1.00 2.19 C ATOM 0 HA PRO A 34 -0.453 -11.780 -2.395 1.00 1.97 H new ATOM 0 HB2 PRO A 34 -1.106 -14.300 -3.398 1.00 2.20 H new ATOM 0 HB3 PRO A 34 -1.607 -12.827 -4.204 1.00 2.20 H new ATOM 0 HG2 PRO A 34 0.673 -14.660 -4.854 1.00 2.31 H new ATOM 0 HG3 PRO A 34 -0.394 -13.794 -5.941 1.00 2.31 H new ATOM 0 HD2 PRO A 34 2.150 -12.940 -5.391 1.00 2.19 H new ATOM 0 HD3 PRO A 34 0.862 -11.833 -5.825 1.00 2.19 H new ATOM 500 N GLY A 35 0.316 -13.078 -0.536 1.00 1.76 N ATOM 501 CA GLY A 35 0.722 -13.869 0.607 1.00 1.72 C ATOM 502 C GLY A 35 1.744 -13.167 1.485 1.00 1.60 C ATOM 503 O GLY A 35 1.722 -13.324 2.701 1.00 1.71 O ATOM 0 H GLY A 35 -0.229 -12.246 -0.310 1.00 1.76 H new ATOM 0 HA2 GLY A 35 -0.157 -14.111 1.205 1.00 1.72 H new ATOM 0 HA3 GLY A 35 1.139 -14.813 0.258 1.00 1.72 H new ATOM 507 N VAL A 36 2.625 -12.375 0.880 1.00 1.46 N ATOM 508 CA VAL A 36 3.702 -11.722 1.631 1.00 1.34 C ATOM 509 C VAL A 36 3.216 -10.482 2.368 1.00 1.22 C ATOM 510 O VAL A 36 3.896 -9.964 3.244 1.00 1.22 O ATOM 511 CB VAL A 36 4.872 -11.312 0.721 1.00 1.31 C ATOM 512 CG1 VAL A 36 5.473 -12.536 0.055 1.00 1.49 C ATOM 513 CG2 VAL A 36 4.432 -10.297 -0.315 1.00 1.25 C ATOM 0 H VAL A 36 2.618 -12.169 -0.119 1.00 1.46 H new ATOM 0 HA VAL A 36 4.044 -12.463 2.353 1.00 1.34 H new ATOM 0 HB VAL A 36 5.636 -10.841 1.340 1.00 1.31 H new ATOM 0 HG11 VAL A 36 6.300 -12.232 -0.586 1.00 1.49 H new ATOM 0 HG12 VAL A 36 5.839 -13.223 0.818 1.00 1.49 H new ATOM 0 HG13 VAL A 36 4.712 -13.034 -0.546 1.00 1.49 H new ATOM 0 HG21 VAL A 36 5.281 -10.027 -0.943 1.00 1.25 H new ATOM 0 HG22 VAL A 36 3.645 -10.727 -0.934 1.00 1.25 H new ATOM 0 HG23 VAL A 36 4.053 -9.406 0.186 1.00 1.25 H new ATOM 523 N MET A 37 2.022 -10.034 2.026 1.00 1.18 N ATOM 524 CA MET A 37 1.485 -8.775 2.539 1.00 1.11 C ATOM 525 C MET A 37 0.885 -8.956 3.934 1.00 1.14 C ATOM 526 O MET A 37 0.048 -8.166 4.365 1.00 1.18 O ATOM 527 CB MET A 37 0.428 -8.226 1.572 1.00 1.19 C ATOM 528 CG MET A 37 0.054 -6.766 1.803 1.00 1.18 C ATOM 529 SD MET A 37 1.072 -5.600 0.863 1.00 1.41 S ATOM 530 CE MET A 37 2.718 -5.873 1.520 1.00 0.92 C ATOM 0 H MET A 37 1.395 -10.525 1.388 1.00 1.18 H new ATOM 0 HA MET A 37 2.305 -8.061 2.618 1.00 1.11 H new ATOM 0 HB2 MET A 37 0.796 -8.336 0.552 1.00 1.19 H new ATOM 0 HB3 MET A 37 -0.472 -8.835 1.654 1.00 1.19 H new ATOM 0 HG2 MET A 37 -0.992 -6.621 1.534 1.00 1.18 H new ATOM 0 HG3 MET A 37 0.145 -6.540 2.865 1.00 1.18 H new ATOM 0 HE1 MET A 37 3.355 -5.025 1.269 1.00 0.92 H new ATOM 0 HE2 MET A 37 2.664 -5.979 2.604 1.00 0.92 H new ATOM 0 HE3 MET A 37 3.137 -6.782 1.087 1.00 0.92 H new ATOM 540 N THR A 38 1.313 -10.008 4.629 1.00 1.18 N ATOM 541 CA THR A 38 0.799 -10.321 5.956 1.00 1.27 C ATOM 542 C THR A 38 0.848 -9.095 6.864 1.00 1.26 C ATOM 543 O THR A 38 1.815 -8.330 6.826 1.00 1.16 O ATOM 544 CB THR A 38 1.611 -11.460 6.600 1.00 1.37 C ATOM 545 OG1 THR A 38 3.014 -11.222 6.415 1.00 1.35 O ATOM 546 CG2 THR A 38 1.233 -12.805 6.000 1.00 1.45 C ATOM 0 H THR A 38 2.020 -10.661 4.290 1.00 1.18 H new ATOM 0 HA THR A 38 -0.238 -10.637 5.840 1.00 1.27 H new ATOM 0 HB THR A 38 1.383 -11.484 7.666 1.00 1.37 H new ATOM 0 HG1 THR A 38 3.526 -11.948 6.828 1.00 1.35 H new ATOM 0 HG21 THR A 38 1.821 -13.592 6.472 1.00 1.45 H new ATOM 0 HG22 THR A 38 0.173 -12.993 6.168 1.00 1.45 H new ATOM 0 HG23 THR A 38 1.434 -12.795 4.929 1.00 1.45 H new ATOM 554 N PRO A 39 -0.200 -8.888 7.681 1.00 1.41 N ATOM 555 CA PRO A 39 -0.309 -7.727 8.576 1.00 1.46 C ATOM 556 C PRO A 39 0.965 -7.460 9.377 1.00 1.43 C ATOM 557 O PRO A 39 1.361 -6.305 9.556 1.00 1.40 O ATOM 558 CB PRO A 39 -1.455 -8.114 9.506 1.00 1.69 C ATOM 559 CG PRO A 39 -2.315 -9.007 8.681 1.00 1.72 C ATOM 560 CD PRO A 39 -1.379 -9.770 7.784 1.00 1.56 C ATOM 0 HA PRO A 39 -0.475 -6.805 8.019 1.00 1.46 H new ATOM 0 HB2 PRO A 39 -1.089 -8.626 10.396 1.00 1.69 H new ATOM 0 HB3 PRO A 39 -2.004 -7.236 9.846 1.00 1.69 H new ATOM 0 HG2 PRO A 39 -2.891 -9.685 9.311 1.00 1.72 H new ATOM 0 HG3 PRO A 39 -3.031 -8.429 8.097 1.00 1.72 H new ATOM 0 HD2 PRO A 39 -1.118 -10.740 8.208 1.00 1.56 H new ATOM 0 HD3 PRO A 39 -1.825 -9.959 6.807 1.00 1.56 H new ATOM 568 N GLU A 40 1.616 -8.524 9.840 1.00 1.49 N ATOM 569 CA GLU A 40 2.854 -8.382 10.595 1.00 1.53 C ATOM 570 C GLU A 40 3.940 -7.749 9.728 1.00 1.32 C ATOM 571 O GLU A 40 4.684 -6.886 10.191 1.00 1.29 O ATOM 572 CB GLU A 40 3.332 -9.733 11.129 1.00 1.71 C ATOM 573 CG GLU A 40 4.561 -9.623 12.018 1.00 1.94 C ATOM 574 CD GLU A 40 5.078 -10.965 12.486 1.00 2.17 C ATOM 575 OE1 GLU A 40 5.878 -11.582 11.752 1.00 2.76 O ATOM 576 OE2 GLU A 40 4.707 -11.398 13.597 1.00 2.48 O ATOM 0 H GLU A 40 1.308 -9.487 9.706 1.00 1.49 H new ATOM 0 HA GLU A 40 2.653 -7.729 11.444 1.00 1.53 H new ATOM 0 HB2 GLU A 40 2.524 -10.200 11.692 1.00 1.71 H new ATOM 0 HB3 GLU A 40 3.557 -10.390 10.289 1.00 1.71 H new ATOM 0 HG2 GLU A 40 5.351 -9.106 11.473 1.00 1.94 H new ATOM 0 HG3 GLU A 40 4.320 -9.010 12.887 1.00 1.94 H new ATOM 583 N LEU A 41 4.013 -8.158 8.462 1.00 1.20 N ATOM 584 CA LEU A 41 5.009 -7.611 7.546 1.00 1.02 C ATOM 585 C LEU A 41 4.782 -6.121 7.346 1.00 0.89 C ATOM 586 O LEU A 41 5.730 -5.342 7.294 1.00 0.81 O ATOM 587 CB LEU A 41 4.981 -8.304 6.184 1.00 0.97 C ATOM 588 CG LEU A 41 6.056 -7.806 5.217 1.00 0.87 C ATOM 589 CD1 LEU A 41 7.152 -8.845 5.039 1.00 1.11 C ATOM 590 CD2 LEU A 41 5.442 -7.420 3.881 1.00 0.83 C ATOM 0 H LEU A 41 3.399 -8.861 8.051 1.00 1.20 H new ATOM 0 HA LEU A 41 5.985 -7.785 7.999 1.00 1.02 H new ATOM 0 HB2 LEU A 41 5.105 -9.377 6.330 1.00 0.97 H new ATOM 0 HB3 LEU A 41 4.001 -8.155 5.731 1.00 0.97 H new ATOM 0 HG LEU A 41 6.512 -6.914 5.647 1.00 0.87 H new ATOM 0 HD11 LEU A 41 7.904 -8.466 4.347 1.00 1.11 H new ATOM 0 HD12 LEU A 41 7.618 -9.052 6.003 1.00 1.11 H new ATOM 0 HD13 LEU A 41 6.721 -9.763 4.640 1.00 1.11 H new ATOM 0 HD21 LEU A 41 6.225 -7.069 3.209 1.00 0.83 H new ATOM 0 HD22 LEU A 41 4.950 -8.288 3.442 1.00 0.83 H new ATOM 0 HD23 LEU A 41 4.711 -6.626 4.032 1.00 0.83 H new ATOM 602 N GLN A 42 3.519 -5.733 7.243 1.00 0.95 N ATOM 603 CA GLN A 42 3.166 -4.334 7.048 1.00 0.95 C ATOM 604 C GLN A 42 3.571 -3.524 8.253 1.00 0.97 C ATOM 605 O GLN A 42 4.047 -2.395 8.133 1.00 0.97 O ATOM 606 CB GLN A 42 1.672 -4.171 6.840 1.00 1.13 C ATOM 607 CG GLN A 42 1.089 -5.177 5.886 1.00 1.33 C ATOM 608 CD GLN A 42 -0.132 -4.641 5.176 1.00 1.41 C ATOM 609 OE1 GLN A 42 -1.264 -4.818 5.626 1.00 2.06 O ATOM 610 NE2 GLN A 42 0.099 -3.957 4.067 1.00 1.57 N ATOM 0 H GLN A 42 2.722 -6.367 7.291 1.00 0.95 H new ATOM 0 HA GLN A 42 3.693 -3.982 6.161 1.00 0.95 H new ATOM 0 HB2 GLN A 42 1.167 -4.258 7.802 1.00 1.13 H new ATOM 0 HB3 GLN A 42 1.472 -3.167 6.465 1.00 1.13 H new ATOM 0 HG2 GLN A 42 1.842 -5.458 5.150 1.00 1.33 H new ATOM 0 HG3 GLN A 42 0.823 -6.082 6.431 1.00 1.33 H new ATOM 0 HE21 GLN A 42 1.055 -3.836 3.732 1.00 1.57 H new ATOM 0 HE22 GLN A 42 -0.679 -3.551 3.547 1.00 1.57 H new ATOM 619 N SER A 43 3.371 -4.112 9.414 1.00 1.06 N ATOM 620 CA SER A 43 3.704 -3.461 10.651 1.00 1.12 C ATOM 621 C SER A 43 5.223 -3.294 10.751 1.00 1.02 C ATOM 622 O SER A 43 5.721 -2.339 11.350 1.00 1.08 O ATOM 623 CB SER A 43 3.147 -4.267 11.827 1.00 1.29 C ATOM 624 OG SER A 43 3.157 -3.513 13.026 1.00 1.57 O ATOM 0 H SER A 43 2.976 -5.046 9.521 1.00 1.06 H new ATOM 0 HA SER A 43 3.253 -2.469 10.682 1.00 1.12 H new ATOM 0 HB2 SER A 43 2.128 -4.582 11.603 1.00 1.29 H new ATOM 0 HB3 SER A 43 3.738 -5.173 11.961 1.00 1.29 H new ATOM 0 HG SER A 43 2.794 -4.056 13.757 1.00 1.57 H new ATOM 630 N ARG A 44 5.953 -4.220 10.127 1.00 0.97 N ATOM 631 CA ARG A 44 7.404 -4.120 10.046 1.00 0.98 C ATOM 632 C ARG A 44 7.799 -3.064 9.022 1.00 0.90 C ATOM 633 O ARG A 44 8.762 -2.327 9.223 1.00 1.04 O ATOM 634 CB ARG A 44 8.034 -5.459 9.659 1.00 1.09 C ATOM 635 CG ARG A 44 7.679 -6.606 10.589 1.00 1.26 C ATOM 636 CD ARG A 44 8.507 -7.838 10.267 1.00 1.51 C ATOM 637 NE ARG A 44 8.071 -9.021 11.006 1.00 1.90 N ATOM 638 CZ ARG A 44 8.830 -9.681 11.883 1.00 2.59 C ATOM 639 NH1 ARG A 44 10.034 -9.220 12.218 1.00 3.00 N ATOM 640 NH2 ARG A 44 8.374 -10.796 12.439 1.00 3.34 N ATOM 0 H ARG A 44 5.561 -5.045 9.672 1.00 0.97 H new ATOM 0 HA ARG A 44 7.772 -3.836 11.032 1.00 0.98 H new ATOM 0 HB2 ARG A 44 7.721 -5.716 8.647 1.00 1.09 H new ATOM 0 HB3 ARG A 44 9.118 -5.345 9.638 1.00 1.09 H new ATOM 0 HG2 ARG A 44 7.850 -6.308 11.623 1.00 1.26 H new ATOM 0 HG3 ARG A 44 6.619 -6.841 10.496 1.00 1.26 H new ATOM 0 HD2 ARG A 44 8.448 -8.041 9.198 1.00 1.51 H new ATOM 0 HD3 ARG A 44 9.554 -7.637 10.496 1.00 1.51 H new ATOM 0 HE ARG A 44 7.125 -9.365 10.841 1.00 1.90 H new ATOM 0 HH11 ARG A 44 10.383 -8.356 11.803 1.00 3.00 H new ATOM 0 HH12 ARG A 44 10.607 -9.731 12.889 1.00 3.00 H new ATOM 0 HH21 ARG A 44 7.447 -11.145 12.196 1.00 3.34 H new ATOM 0 HH22 ARG A 44 8.950 -11.304 13.110 1.00 3.34 H new ATOM 654 N LEU A 45 7.051 -3.009 7.913 1.00 0.78 N ATOM 655 CA LEU A 45 7.262 -1.984 6.895 1.00 0.80 C ATOM 656 C LEU A 45 7.167 -0.607 7.543 1.00 1.06 C ATOM 657 O LEU A 45 7.975 0.284 7.273 1.00 1.25 O ATOM 658 CB LEU A 45 6.222 -2.118 5.759 1.00 0.77 C ATOM 659 CG LEU A 45 6.345 -3.376 4.883 1.00 0.64 C ATOM 660 CD1 LEU A 45 5.179 -3.475 3.910 1.00 0.78 C ATOM 661 CD2 LEU A 45 7.646 -3.378 4.101 1.00 0.54 C ATOM 0 H LEU A 45 6.297 -3.663 7.702 1.00 0.78 H new ATOM 0 HA LEU A 45 8.253 -2.113 6.459 1.00 0.80 H new ATOM 0 HB2 LEU A 45 5.226 -2.102 6.201 1.00 0.77 H new ATOM 0 HB3 LEU A 45 6.300 -1.241 5.116 1.00 0.77 H new ATOM 0 HG LEU A 45 6.332 -4.236 5.552 1.00 0.64 H new ATOM 0 HD11 LEU A 45 5.288 -4.373 3.301 1.00 0.78 H new ATOM 0 HD12 LEU A 45 4.244 -3.526 4.467 1.00 0.78 H new ATOM 0 HD13 LEU A 45 5.169 -2.597 3.264 1.00 0.78 H new ATOM 0 HD21 LEU A 45 7.703 -4.280 3.492 1.00 0.54 H new ATOM 0 HD22 LEU A 45 7.684 -2.501 3.455 1.00 0.54 H new ATOM 0 HD23 LEU A 45 8.487 -3.355 4.794 1.00 0.54 H new ATOM 673 N GLY A 46 6.159 -0.441 8.392 1.00 1.20 N ATOM 674 CA GLY A 46 6.084 0.718 9.262 1.00 1.56 C ATOM 675 C GLY A 46 5.510 1.938 8.578 1.00 1.89 C ATOM 676 O GLY A 46 4.992 2.845 9.229 1.00 2.30 O ATOM 0 H GLY A 46 5.384 -1.097 8.493 1.00 1.20 H new ATOM 0 HA2 GLY A 46 5.472 0.474 10.130 1.00 1.56 H new ATOM 0 HA3 GLY A 46 7.082 0.952 9.632 1.00 1.56 H new ATOM 680 N GLY A 47 5.604 1.964 7.259 1.00 1.84 N ATOM 681 CA GLY A 47 5.160 3.116 6.510 1.00 2.25 C ATOM 682 C GLY A 47 6.040 4.321 6.772 1.00 2.18 C ATOM 683 O GLY A 47 5.600 5.463 6.635 1.00 2.57 O ATOM 0 H GLY A 47 5.982 1.204 6.693 1.00 1.84 H new ATOM 0 HA2 GLY A 47 5.167 2.884 5.445 1.00 2.25 H new ATOM 0 HA3 GLY A 47 4.130 3.351 6.778 1.00 2.25 H new ATOM 687 N ALA A 48 7.279 4.073 7.171 1.00 1.86 N ATOM 688 CA ALA A 48 8.204 5.152 7.467 1.00 2.02 C ATOM 689 C ALA A 48 8.893 5.629 6.197 1.00 2.08 C ATOM 690 O ALA A 48 9.131 4.845 5.281 1.00 1.94 O ATOM 691 CB ALA A 48 9.225 4.696 8.490 1.00 1.99 C ATOM 0 H ALA A 48 7.664 3.137 7.296 1.00 1.86 H new ATOM 0 HA ALA A 48 7.643 5.989 7.883 1.00 2.02 H new ATOM 0 HB1 ALA A 48 9.914 5.513 8.705 1.00 1.99 H new ATOM 0 HB2 ALA A 48 8.715 4.401 9.407 1.00 1.99 H new ATOM 0 HB3 ALA A 48 9.782 3.846 8.095 1.00 1.99 H new ATOM 697 N ARG A 49 9.241 6.904 6.161 1.00 2.37 N ATOM 698 CA ARG A 49 9.816 7.503 4.964 1.00 2.47 C ATOM 699 C ARG A 49 11.196 6.949 4.658 1.00 2.33 C ATOM 700 O ARG A 49 11.448 6.492 3.551 1.00 2.17 O ATOM 701 CB ARG A 49 9.895 9.014 5.126 1.00 2.87 C ATOM 702 CG ARG A 49 10.615 9.455 6.385 1.00 3.30 C ATOM 703 CD ARG A 49 10.514 10.948 6.548 1.00 3.76 C ATOM 704 NE ARG A 49 10.844 11.387 7.900 1.00 4.15 N ATOM 705 CZ ARG A 49 10.067 12.185 8.628 1.00 4.69 C ATOM 706 NH1 ARG A 49 8.893 12.585 8.154 1.00 4.89 N ATOM 707 NH2 ARG A 49 10.451 12.563 9.843 1.00 5.36 N ATOM 0 H ARG A 49 9.136 7.546 6.946 1.00 2.37 H new ATOM 0 HA ARG A 49 9.164 7.253 4.127 1.00 2.47 H new ATOM 0 HB2 ARG A 49 10.404 9.437 4.260 1.00 2.87 H new ATOM 0 HB3 ARG A 49 8.885 9.423 5.134 1.00 2.87 H new ATOM 0 HG2 ARG A 49 10.182 8.957 7.253 1.00 3.30 H new ATOM 0 HG3 ARG A 49 11.663 9.158 6.336 1.00 3.30 H new ATOM 0 HD2 ARG A 49 11.184 11.434 5.838 1.00 3.76 H new ATOM 0 HD3 ARG A 49 9.502 11.269 6.302 1.00 3.76 H new ATOM 0 HE ARG A 49 11.720 11.064 8.310 1.00 4.15 H new ATOM 0 HH11 ARG A 49 8.585 12.281 7.230 1.00 4.89 H new ATOM 0 HH12 ARG A 49 8.299 13.197 8.714 1.00 4.89 H new ATOM 0 HH21 ARG A 49 11.343 12.241 10.219 1.00 5.36 H new ATOM 0 HH22 ARG A 49 9.854 13.175 10.399 1.00 5.36 H new ATOM 721 N HIS A 50 12.078 6.967 5.652 1.00 2.45 N ATOM 722 CA HIS A 50 13.445 6.501 5.461 1.00 2.44 C ATOM 723 C HIS A 50 13.441 5.061 4.970 1.00 2.06 C ATOM 724 O HIS A 50 14.220 4.679 4.091 1.00 1.95 O ATOM 725 CB HIS A 50 14.269 6.618 6.757 1.00 2.74 C ATOM 726 CG HIS A 50 13.541 6.185 7.993 1.00 2.77 C ATOM 727 ND1 HIS A 50 13.320 4.866 8.327 1.00 2.59 N ATOM 728 CD2 HIS A 50 12.946 6.917 8.963 1.00 2.99 C ATOM 729 CE1 HIS A 50 12.610 4.810 9.434 1.00 2.68 C ATOM 730 NE2 HIS A 50 12.374 6.039 9.843 1.00 2.91 N ATOM 0 H HIS A 50 11.871 7.298 6.594 1.00 2.45 H new ATOM 0 HA HIS A 50 13.914 7.137 4.710 1.00 2.44 H new ATOM 0 HB2 HIS A 50 15.174 6.019 6.654 1.00 2.74 H new ATOM 0 HB3 HIS A 50 14.585 7.654 6.880 1.00 2.74 H new ATOM 0 HD1 HIS A 50 13.654 4.060 7.799 1.00 2.59 H new ATOM 0 HD2 HIS A 50 12.926 7.995 9.030 1.00 2.99 H new ATOM 0 HE1 HIS A 50 12.277 3.907 9.924 1.00 2.68 H new ATOM 739 N GLU A 51 12.525 4.282 5.533 1.00 1.91 N ATOM 740 CA GLU A 51 12.364 2.891 5.164 1.00 1.65 C ATOM 741 C GLU A 51 11.961 2.776 3.716 1.00 1.36 C ATOM 742 O GLU A 51 12.633 2.129 2.917 1.00 1.19 O ATOM 743 CB GLU A 51 11.290 2.235 6.024 1.00 1.68 C ATOM 744 CG GLU A 51 11.824 1.114 6.873 1.00 1.72 C ATOM 745 CD GLU A 51 12.710 1.617 7.996 1.00 2.19 C ATOM 746 OE1 GLU A 51 13.795 2.171 7.711 1.00 2.75 O ATOM 747 OE2 GLU A 51 12.301 1.508 9.171 1.00 2.54 O ATOM 0 H GLU A 51 11.878 4.600 6.255 1.00 1.91 H new ATOM 0 HA GLU A 51 13.318 2.388 5.321 1.00 1.65 H new ATOM 0 HB2 GLU A 51 10.837 2.988 6.669 1.00 1.68 H new ATOM 0 HB3 GLU A 51 10.500 1.851 5.379 1.00 1.68 H new ATOM 0 HG2 GLU A 51 10.991 0.551 7.294 1.00 1.72 H new ATOM 0 HG3 GLU A 51 12.390 0.425 6.247 1.00 1.72 H new ATOM 754 N LEU A 52 10.873 3.442 3.384 1.00 1.41 N ATOM 755 CA LEU A 52 10.276 3.295 2.074 1.00 1.31 C ATOM 756 C LEU A 52 11.135 3.929 0.984 1.00 1.37 C ATOM 757 O LEU A 52 11.077 3.514 -0.169 1.00 1.27 O ATOM 758 CB LEU A 52 8.866 3.883 2.049 1.00 1.57 C ATOM 759 CG LEU A 52 7.876 3.228 3.015 1.00 1.56 C ATOM 760 CD1 LEU A 52 6.528 3.919 2.935 1.00 1.90 C ATOM 761 CD2 LEU A 52 7.737 1.742 2.719 1.00 1.33 C ATOM 0 H LEU A 52 10.386 4.089 4.003 1.00 1.41 H new ATOM 0 HA LEU A 52 10.214 2.227 1.867 1.00 1.31 H new ATOM 0 HB2 LEU A 52 8.928 4.946 2.281 1.00 1.57 H new ATOM 0 HB3 LEU A 52 8.472 3.800 1.036 1.00 1.57 H new ATOM 0 HG LEU A 52 8.261 3.336 4.029 1.00 1.56 H new ATOM 0 HD11 LEU A 52 5.833 3.443 3.627 1.00 1.90 H new ATOM 0 HD12 LEU A 52 6.642 4.970 3.200 1.00 1.90 H new ATOM 0 HD13 LEU A 52 6.139 3.841 1.920 1.00 1.90 H new ATOM 0 HD21 LEU A 52 7.029 1.297 3.417 1.00 1.33 H new ATOM 0 HD22 LEU A 52 7.376 1.606 1.700 1.00 1.33 H new ATOM 0 HD23 LEU A 52 8.707 1.257 2.828 1.00 1.33 H new ATOM 773 N ILE A 53 11.928 4.932 1.344 1.00 1.59 N ATOM 774 CA ILE A 53 12.857 5.532 0.395 1.00 1.69 C ATOM 775 C ILE A 53 13.872 4.496 -0.076 1.00 1.43 C ATOM 776 O ILE A 53 14.049 4.286 -1.277 1.00 1.32 O ATOM 777 CB ILE A 53 13.591 6.755 0.993 1.00 2.06 C ATOM 778 CG1 ILE A 53 12.612 7.918 1.194 1.00 2.36 C ATOM 779 CG2 ILE A 53 14.749 7.178 0.099 1.00 2.17 C ATOM 780 CD1 ILE A 53 13.230 9.131 1.859 1.00 2.74 C ATOM 0 H ILE A 53 11.947 5.343 2.277 1.00 1.59 H new ATOM 0 HA ILE A 53 12.271 5.882 -0.455 1.00 1.69 H new ATOM 0 HB ILE A 53 13.997 6.472 1.964 1.00 2.06 H new ATOM 0 HG12 ILE A 53 12.209 8.213 0.225 1.00 2.36 H new ATOM 0 HG13 ILE A 53 11.772 7.573 1.797 1.00 2.36 H new ATOM 0 HG21 ILE A 53 15.252 8.040 0.538 1.00 2.17 H new ATOM 0 HG22 ILE A 53 15.456 6.354 0.006 1.00 2.17 H new ATOM 0 HG23 ILE A 53 14.369 7.443 -0.888 1.00 2.17 H new ATOM 0 HD11 ILE A 53 12.476 9.911 1.967 1.00 2.74 H new ATOM 0 HD12 ILE A 53 13.608 8.853 2.843 1.00 2.74 H new ATOM 0 HD13 ILE A 53 14.051 9.503 1.246 1.00 2.74 H new ATOM 792 N ALA A 54 14.522 3.829 0.872 1.00 1.41 N ATOM 793 CA ALA A 54 15.477 2.779 0.535 1.00 1.31 C ATOM 794 C ALA A 54 14.750 1.576 -0.064 1.00 1.00 C ATOM 795 O ALA A 54 15.275 0.875 -0.934 1.00 0.95 O ATOM 796 CB ALA A 54 16.271 2.368 1.766 1.00 1.50 C ATOM 0 H ALA A 54 14.407 3.995 1.872 1.00 1.41 H new ATOM 0 HA ALA A 54 16.175 3.166 -0.208 1.00 1.31 H new ATOM 0 HB1 ALA A 54 16.979 1.584 1.497 1.00 1.50 H new ATOM 0 HB2 ALA A 54 16.814 3.230 2.153 1.00 1.50 H new ATOM 0 HB3 ALA A 54 15.590 1.995 2.531 1.00 1.50 H new ATOM 802 N LEU A 55 13.519 1.377 0.389 1.00 0.89 N ATOM 803 CA LEU A 55 12.694 0.262 -0.052 1.00 0.74 C ATOM 804 C LEU A 55 12.303 0.451 -1.513 1.00 0.70 C ATOM 805 O LEU A 55 12.062 -0.502 -2.233 1.00 0.73 O ATOM 806 CB LEU A 55 11.455 0.153 0.860 1.00 0.84 C ATOM 807 CG LEU A 55 10.547 -1.073 0.666 1.00 0.76 C ATOM 808 CD1 LEU A 55 9.653 -0.899 -0.550 1.00 1.32 C ATOM 809 CD2 LEU A 55 11.375 -2.347 0.548 1.00 1.01 C ATOM 0 H LEU A 55 13.065 1.984 1.072 1.00 0.89 H new ATOM 0 HA LEU A 55 13.255 -0.670 0.021 1.00 0.74 H new ATOM 0 HB2 LEU A 55 11.796 0.161 1.895 1.00 0.84 H new ATOM 0 HB3 LEU A 55 10.850 1.048 0.717 1.00 0.84 H new ATOM 0 HG LEU A 55 9.909 -1.162 1.545 1.00 0.76 H new ATOM 0 HD11 LEU A 55 9.021 -1.779 -0.666 1.00 1.32 H new ATOM 0 HD12 LEU A 55 9.026 -0.017 -0.418 1.00 1.32 H new ATOM 0 HD13 LEU A 55 10.270 -0.776 -1.440 1.00 1.32 H new ATOM 0 HD21 LEU A 55 10.711 -3.201 0.411 1.00 1.01 H new ATOM 0 HD22 LEU A 55 12.045 -2.268 -0.308 1.00 1.01 H new ATOM 0 HD23 LEU A 55 11.962 -2.485 1.456 1.00 1.01 H new ATOM 821 N LEU A 56 12.200 1.689 -1.936 1.00 0.81 N ATOM 822 CA LEU A 56 11.961 2.000 -3.321 1.00 0.89 C ATOM 823 C LEU A 56 13.269 1.976 -4.111 1.00 0.83 C ATOM 824 O LEU A 56 13.296 1.603 -5.278 1.00 0.90 O ATOM 825 CB LEU A 56 11.269 3.346 -3.383 1.00 1.13 C ATOM 826 CG LEU A 56 11.633 4.241 -4.557 1.00 1.15 C ATOM 827 CD1 LEU A 56 11.121 3.664 -5.873 1.00 1.28 C ATOM 828 CD2 LEU A 56 11.088 5.645 -4.346 1.00 1.68 C ATOM 0 H LEU A 56 12.280 2.505 -1.330 1.00 0.81 H new ATOM 0 HA LEU A 56 11.317 1.251 -3.782 1.00 0.89 H new ATOM 0 HB2 LEU A 56 10.193 3.176 -3.404 1.00 1.13 H new ATOM 0 HB3 LEU A 56 11.488 3.885 -2.462 1.00 1.13 H new ATOM 0 HG LEU A 56 12.720 4.292 -4.613 1.00 1.15 H new ATOM 0 HD11 LEU A 56 11.397 4.327 -6.693 1.00 1.28 H new ATOM 0 HD12 LEU A 56 11.564 2.681 -6.036 1.00 1.28 H new ATOM 0 HD13 LEU A 56 10.036 3.571 -5.832 1.00 1.28 H new ATOM 0 HD21 LEU A 56 11.358 6.272 -5.196 1.00 1.68 H new ATOM 0 HD22 LEU A 56 10.003 5.604 -4.256 1.00 1.68 H new ATOM 0 HD23 LEU A 56 11.512 6.067 -3.435 1.00 1.68 H new ATOM 840 N ARG A 57 14.358 2.357 -3.456 1.00 0.82 N ATOM 841 CA ARG A 57 15.672 2.379 -4.092 1.00 0.88 C ATOM 842 C ARG A 57 16.091 0.989 -4.570 1.00 0.87 C ATOM 843 O ARG A 57 16.938 0.858 -5.454 1.00 0.98 O ATOM 844 CB ARG A 57 16.711 2.955 -3.131 1.00 1.09 C ATOM 845 CG ARG A 57 16.652 4.472 -3.034 1.00 1.53 C ATOM 846 CD ARG A 57 17.675 5.023 -2.055 1.00 1.95 C ATOM 847 NE ARG A 57 17.709 6.484 -2.087 1.00 2.59 N ATOM 848 CZ ARG A 57 18.547 7.234 -1.379 1.00 3.23 C ATOM 849 NH1 ARG A 57 19.360 6.686 -0.489 1.00 3.41 N ATOM 850 NH2 ARG A 57 18.551 8.547 -1.543 1.00 4.07 N ATOM 0 H ARG A 57 14.359 2.656 -2.481 1.00 0.82 H new ATOM 0 HA ARG A 57 15.609 3.020 -4.972 1.00 0.88 H new ATOM 0 HB2 ARG A 57 16.559 2.527 -2.140 1.00 1.09 H new ATOM 0 HB3 ARG A 57 17.707 2.655 -3.458 1.00 1.09 H new ATOM 0 HG2 ARG A 57 16.824 4.905 -4.019 1.00 1.53 H new ATOM 0 HG3 ARG A 57 15.653 4.776 -2.723 1.00 1.53 H new ATOM 0 HD2 ARG A 57 17.435 4.685 -1.047 1.00 1.95 H new ATOM 0 HD3 ARG A 57 18.662 4.629 -2.297 1.00 1.95 H new ATOM 0 HE ARG A 57 17.043 6.961 -2.695 1.00 2.59 H new ATOM 0 HH11 ARG A 57 19.348 5.677 -0.340 1.00 3.41 H new ATOM 0 HH12 ARG A 57 19.998 7.273 0.048 1.00 3.41 H new ATOM 0 HH21 ARG A 57 17.913 8.980 -2.211 1.00 4.07 H new ATOM 0 HH22 ARG A 57 19.192 9.127 -1.002 1.00 4.07 H new ATOM 864 N GLN A 58 15.496 -0.040 -3.982 1.00 0.86 N ATOM 865 CA GLN A 58 15.715 -1.417 -4.427 1.00 1.07 C ATOM 866 C GLN A 58 15.085 -1.657 -5.805 1.00 1.15 C ATOM 867 O GLN A 58 15.479 -2.570 -6.530 1.00 1.40 O ATOM 868 CB GLN A 58 15.131 -2.388 -3.401 1.00 1.15 C ATOM 869 CG GLN A 58 13.617 -2.401 -3.362 1.00 0.96 C ATOM 870 CD GLN A 58 12.974 -3.621 -3.987 1.00 1.15 C ATOM 871 OE1 GLN A 58 13.502 -4.227 -4.919 1.00 1.75 O ATOM 872 NE2 GLN A 58 11.799 -3.967 -3.491 1.00 0.91 N ATOM 0 H GLN A 58 14.856 0.049 -3.193 1.00 0.86 H new ATOM 0 HA GLN A 58 16.788 -1.587 -4.515 1.00 1.07 H new ATOM 0 HB2 GLN A 58 15.488 -3.394 -3.623 1.00 1.15 H new ATOM 0 HB3 GLN A 58 15.508 -2.127 -2.412 1.00 1.15 H new ATOM 0 HG2 GLN A 58 13.294 -2.330 -2.323 1.00 0.96 H new ATOM 0 HG3 GLN A 58 13.247 -1.512 -3.872 1.00 0.96 H new ATOM 0 HE21 GLN A 58 11.396 -3.438 -2.718 1.00 0.91 H new ATOM 0 HE22 GLN A 58 11.295 -4.763 -3.881 1.00 0.91 H new ATOM 881 N LEU A 59 14.101 -0.832 -6.152 1.00 1.05 N ATOM 882 CA LEU A 59 13.431 -0.922 -7.445 1.00 1.27 C ATOM 883 C LEU A 59 14.357 -0.384 -8.529 1.00 1.30 C ATOM 884 O LEU A 59 14.293 -0.798 -9.687 1.00 1.61 O ATOM 885 CB LEU A 59 12.100 -0.142 -7.398 1.00 1.40 C ATOM 886 CG LEU A 59 11.232 -0.177 -8.666 1.00 1.61 C ATOM 887 CD1 LEU A 59 9.765 -0.022 -8.296 1.00 1.94 C ATOM 888 CD2 LEU A 59 11.632 0.930 -9.632 1.00 2.47 C ATOM 0 H LEU A 59 13.748 -0.088 -5.550 1.00 1.05 H new ATOM 0 HA LEU A 59 13.200 -1.962 -7.677 1.00 1.27 H new ATOM 0 HB2 LEU A 59 11.507 -0.531 -6.570 1.00 1.40 H new ATOM 0 HB3 LEU A 59 12.324 0.900 -7.168 1.00 1.40 H new ATOM 0 HG LEU A 59 11.387 -1.138 -9.156 1.00 1.61 H new ATOM 0 HD11 LEU A 59 9.157 -0.048 -9.200 1.00 1.94 H new ATOM 0 HD12 LEU A 59 9.468 -0.837 -7.636 1.00 1.94 H new ATOM 0 HD13 LEU A 59 9.617 0.930 -7.786 1.00 1.94 H new ATOM 0 HD21 LEU A 59 11.002 0.883 -10.521 1.00 2.47 H new ATOM 0 HD22 LEU A 59 11.505 1.898 -9.148 1.00 2.47 H new ATOM 0 HD23 LEU A 59 12.676 0.802 -9.920 1.00 2.47 H new ATOM 900 N GLN A 60 15.236 0.526 -8.130 1.00 1.09 N ATOM 901 CA GLN A 60 16.205 1.112 -9.041 1.00 1.19 C ATOM 902 C GLN A 60 17.228 0.067 -9.471 1.00 1.31 C ATOM 903 O GLN A 60 17.556 -0.842 -8.705 1.00 1.42 O ATOM 904 CB GLN A 60 16.910 2.297 -8.379 1.00 1.31 C ATOM 905 CG GLN A 60 15.976 3.452 -8.051 1.00 1.43 C ATOM 906 CD GLN A 60 16.637 4.555 -7.236 1.00 1.79 C ATOM 907 OE1 GLN A 60 15.979 5.248 -6.465 1.00 2.58 O ATOM 908 NE2 GLN A 60 17.940 4.733 -7.397 1.00 1.95 N ATOM 0 H GLN A 60 15.296 0.875 -7.173 1.00 1.09 H new ATOM 0 HA GLN A 60 15.676 1.469 -9.925 1.00 1.19 H new ATOM 0 HB2 GLN A 60 17.391 1.957 -7.462 1.00 1.31 H new ATOM 0 HB3 GLN A 60 17.700 2.655 -9.039 1.00 1.31 H new ATOM 0 HG2 GLN A 60 15.595 3.876 -8.980 1.00 1.43 H new ATOM 0 HG3 GLN A 60 15.117 3.069 -7.500 1.00 1.43 H new ATOM 0 HE21 GLN A 60 18.459 4.141 -8.045 1.00 1.95 H new ATOM 0 HE22 GLN A 60 18.424 5.462 -6.873 1.00 1.95 H new ATOM 1254 N GLY B 8 -18.982 0.837 -7.448 1.00 4.66 N ATOM 1255 CA GLY B 8 -19.514 0.131 -6.300 1.00 4.09 C ATOM 1256 C GLY B 8 -19.039 -1.303 -6.204 1.00 4.04 C ATOM 1257 O GLY B 8 -18.729 -1.775 -5.115 1.00 3.54 O ATOM 0 HA2 GLY B 8 -19.229 0.662 -5.392 1.00 4.09 H new ATOM 0 HA3 GLY B 8 -20.603 0.143 -6.348 1.00 4.09 H new ATOM 1261 N ALA B 9 -18.973 -1.993 -7.336 1.00 4.69 N ATOM 1262 CA ALA B 9 -18.537 -3.383 -7.351 1.00 4.91 C ATOM 1263 C ALA B 9 -17.079 -3.501 -6.929 1.00 4.50 C ATOM 1264 O ALA B 9 -16.724 -4.355 -6.110 1.00 4.40 O ATOM 1265 CB ALA B 9 -18.739 -3.994 -8.724 1.00 5.78 C ATOM 0 H ALA B 9 -19.215 -1.614 -8.252 1.00 4.69 H new ATOM 0 HA ALA B 9 -19.147 -3.933 -6.634 1.00 4.91 H new ATOM 0 HB1 ALA B 9 -18.407 -5.032 -8.713 1.00 5.78 H new ATOM 0 HB2 ALA B 9 -19.796 -3.954 -8.988 1.00 5.78 H new ATOM 0 HB3 ALA B 9 -18.160 -3.436 -9.459 1.00 5.78 H new ATOM 1271 N LEU B 10 -16.239 -2.634 -7.485 1.00 4.38 N ATOM 1272 CA LEU B 10 -14.823 -2.615 -7.150 1.00 3.97 C ATOM 1273 C LEU B 10 -14.633 -2.311 -5.671 1.00 3.17 C ATOM 1274 O LEU B 10 -13.884 -2.999 -4.977 1.00 2.96 O ATOM 1275 CB LEU B 10 -14.092 -1.575 -8.005 1.00 4.13 C ATOM 1276 CG LEU B 10 -12.610 -1.370 -7.674 1.00 3.77 C ATOM 1277 CD1 LEU B 10 -11.822 -2.654 -7.886 1.00 3.68 C ATOM 1278 CD2 LEU B 10 -12.030 -0.241 -8.516 1.00 4.12 C ATOM 0 H LEU B 10 -16.518 -1.933 -8.172 1.00 4.38 H new ATOM 0 HA LEU B 10 -14.401 -3.598 -7.359 1.00 3.97 H new ATOM 0 HB2 LEU B 10 -14.175 -1.868 -9.052 1.00 4.13 H new ATOM 0 HB3 LEU B 10 -14.605 -0.619 -7.900 1.00 4.13 H new ATOM 0 HG LEU B 10 -12.531 -1.096 -6.622 1.00 3.77 H new ATOM 0 HD11 LEU B 10 -10.773 -2.481 -7.644 1.00 3.68 H new ATOM 0 HD12 LEU B 10 -12.220 -3.436 -7.239 1.00 3.68 H new ATOM 0 HD13 LEU B 10 -11.908 -2.966 -8.927 1.00 3.68 H new ATOM 0 HD21 LEU B 10 -10.977 -0.107 -8.269 1.00 4.12 H new ATOM 0 HD22 LEU B 10 -12.127 -0.489 -9.573 1.00 4.12 H new ATOM 0 HD23 LEU B 10 -12.571 0.682 -8.309 1.00 4.12 H new ATOM 1290 N LEU B 11 -15.340 -1.301 -5.191 1.00 2.86 N ATOM 1291 CA LEU B 11 -15.275 -0.923 -3.787 1.00 2.18 C ATOM 1292 C LEU B 11 -15.759 -2.062 -2.897 1.00 2.26 C ATOM 1293 O LEU B 11 -15.080 -2.448 -1.951 1.00 2.13 O ATOM 1294 CB LEU B 11 -16.125 0.319 -3.523 1.00 2.17 C ATOM 1295 CG LEU B 11 -15.739 1.564 -4.320 1.00 1.84 C ATOM 1296 CD1 LEU B 11 -16.717 2.690 -4.033 1.00 1.83 C ATOM 1297 CD2 LEU B 11 -14.318 1.995 -3.993 1.00 1.71 C ATOM 0 H LEU B 11 -15.967 -0.726 -5.754 1.00 2.86 H new ATOM 0 HA LEU B 11 -14.234 -0.703 -3.551 1.00 2.18 H new ATOM 0 HB2 LEU B 11 -17.166 0.078 -3.741 1.00 2.17 H new ATOM 0 HB3 LEU B 11 -16.068 0.557 -2.461 1.00 2.17 H new ATOM 0 HG LEU B 11 -15.783 1.323 -5.382 1.00 1.84 H new ATOM 0 HD11 LEU B 11 -16.433 3.573 -4.606 1.00 1.83 H new ATOM 0 HD12 LEU B 11 -17.722 2.380 -4.318 1.00 1.83 H new ATOM 0 HD13 LEU B 11 -16.698 2.926 -2.969 1.00 1.83 H new ATOM 0 HD21 LEU B 11 -14.065 2.883 -4.572 1.00 1.71 H new ATOM 0 HD22 LEU B 11 -14.242 2.221 -2.929 1.00 1.71 H new ATOM 0 HD23 LEU B 11 -13.627 1.190 -4.243 1.00 1.71 H new ATOM 1309 N ALA B 12 -16.927 -2.604 -3.228 1.00 2.76 N ATOM 1310 CA ALA B 12 -17.568 -3.628 -2.413 1.00 3.14 C ATOM 1311 C ALA B 12 -16.677 -4.844 -2.206 1.00 3.58 C ATOM 1312 O ALA B 12 -16.436 -5.249 -1.069 1.00 3.74 O ATOM 1313 CB ALA B 12 -18.886 -4.049 -3.040 1.00 3.68 C ATOM 0 H ALA B 12 -17.452 -2.347 -4.064 1.00 2.76 H new ATOM 0 HA ALA B 12 -17.753 -3.190 -1.432 1.00 3.14 H new ATOM 0 HB1 ALA B 12 -19.355 -4.814 -2.422 1.00 3.68 H new ATOM 0 HB2 ALA B 12 -19.547 -3.185 -3.112 1.00 3.68 H new ATOM 0 HB3 ALA B 12 -18.703 -4.450 -4.037 1.00 3.68 H new ATOM 1319 N HIS B 13 -16.170 -5.420 -3.292 1.00 3.94 N ATOM 1320 CA HIS B 13 -15.401 -6.651 -3.179 1.00 4.46 C ATOM 1321 C HIS B 13 -14.046 -6.389 -2.524 1.00 4.06 C ATOM 1322 O HIS B 13 -13.497 -7.263 -1.863 1.00 4.48 O ATOM 1323 CB HIS B 13 -15.247 -7.364 -4.538 1.00 5.05 C ATOM 1324 CG HIS B 13 -14.129 -6.881 -5.420 1.00 4.87 C ATOM 1325 ND1 HIS B 13 -14.052 -5.837 -6.275 1.00 4.94 N flip ATOM 1326 CD2 HIS B 13 -12.926 -7.540 -5.526 1.00 4.82 C flip ATOM 1327 CE1 HIS B 13 -12.821 -5.884 -6.882 1.00 4.81 C flip ATOM 1328 NE2 HIS B 13 -12.162 -6.925 -6.405 1.00 4.82 N flip ATOM 0 H HIS B 13 -16.275 -5.062 -4.241 1.00 3.94 H new ATOM 0 HA HIS B 13 -15.960 -7.328 -2.533 1.00 4.46 H new ATOM 0 HB2 HIS B 13 -15.101 -8.428 -4.352 1.00 5.05 H new ATOM 0 HB3 HIS B 13 -16.184 -7.262 -5.086 1.00 5.05 H new ATOM 0 HD2 HIS B 13 -12.650 -8.426 -4.973 1.00 4.82 H new ATOM 0 HE1 HIS B 13 -12.454 -5.189 -7.623 1.00 4.81 H new ATOM 0 HE2 HIS B 13 -11.219 -7.206 -6.673 1.00 4.82 H new ATOM 1337 N ALA B 14 -13.518 -5.180 -2.687 1.00 3.33 N ATOM 1338 CA ALA B 14 -12.257 -4.816 -2.050 1.00 2.95 C ATOM 1339 C ALA B 14 -12.464 -4.580 -0.556 1.00 2.97 C ATOM 1340 O ALA B 14 -11.661 -5.013 0.274 1.00 3.30 O ATOM 1341 CB ALA B 14 -11.661 -3.583 -2.709 1.00 2.26 C ATOM 0 H ALA B 14 -13.939 -4.441 -3.250 1.00 3.33 H new ATOM 0 HA ALA B 14 -11.556 -5.642 -2.175 1.00 2.95 H new ATOM 0 HB1 ALA B 14 -10.721 -3.327 -2.220 1.00 2.26 H new ATOM 0 HB2 ALA B 14 -11.477 -3.787 -3.764 1.00 2.26 H new ATOM 0 HB3 ALA B 14 -12.357 -2.749 -2.617 1.00 2.26 H new ATOM 1347 N ALA B 15 -13.559 -3.904 -0.226 1.00 2.80 N ATOM 1348 CA ALA B 15 -13.914 -3.630 1.163 1.00 3.07 C ATOM 1349 C ALA B 15 -14.245 -4.919 1.902 1.00 3.91 C ATOM 1350 O ALA B 15 -13.898 -5.085 3.069 1.00 4.37 O ATOM 1351 CB ALA B 15 -15.095 -2.671 1.226 1.00 2.79 C ATOM 0 H ALA B 15 -14.221 -3.533 -0.907 1.00 2.80 H new ATOM 0 HA ALA B 15 -13.056 -3.167 1.649 1.00 3.07 H new ATOM 0 HB1 ALA B 15 -15.349 -2.475 2.268 1.00 2.79 H new ATOM 0 HB2 ALA B 15 -14.830 -1.735 0.735 1.00 2.79 H new ATOM 0 HB3 ALA B 15 -15.952 -3.116 0.721 1.00 2.79 H new ATOM 1357 N SER B 16 -14.911 -5.832 1.208 1.00 4.22 N ATOM 1358 CA SER B 16 -15.300 -7.109 1.788 1.00 5.05 C ATOM 1359 C SER B 16 -14.066 -7.968 2.072 1.00 5.46 C ATOM 1360 O SER B 16 -14.080 -8.817 2.965 1.00 6.10 O ATOM 1361 CB SER B 16 -16.265 -7.840 0.848 1.00 5.36 C ATOM 1362 OG SER B 16 -16.945 -8.891 1.513 1.00 5.53 O ATOM 0 H SER B 16 -15.194 -5.710 0.236 1.00 4.22 H new ATOM 0 HA SER B 16 -15.809 -6.925 2.734 1.00 5.05 H new ATOM 0 HB2 SER B 16 -16.991 -7.132 0.448 1.00 5.36 H new ATOM 0 HB3 SER B 16 -15.712 -8.243 -0.000 1.00 5.36 H new ATOM 0 HG SER B 16 -17.553 -9.335 0.886 1.00 5.53 H new ATOM 1368 N LEU B 17 -12.999 -7.739 1.312 1.00 5.11 N ATOM 1369 CA LEU B 17 -11.741 -8.438 1.539 1.00 5.45 C ATOM 1370 C LEU B 17 -10.963 -7.778 2.669 1.00 5.30 C ATOM 1371 O LEU B 17 -10.151 -8.419 3.329 1.00 5.77 O ATOM 1372 CB LEU B 17 -10.886 -8.454 0.269 1.00 5.21 C ATOM 1373 CG LEU B 17 -11.463 -9.253 -0.900 1.00 5.62 C ATOM 1374 CD1 LEU B 17 -10.551 -9.147 -2.113 1.00 5.51 C ATOM 1375 CD2 LEU B 17 -11.663 -10.709 -0.504 1.00 6.49 C ATOM 0 H LEU B 17 -12.981 -7.077 0.536 1.00 5.11 H new ATOM 0 HA LEU B 17 -11.976 -9.466 1.816 1.00 5.45 H new ATOM 0 HB2 LEU B 17 -10.731 -7.426 -0.057 1.00 5.21 H new ATOM 0 HB3 LEU B 17 -9.906 -8.861 0.516 1.00 5.21 H new ATOM 0 HG LEU B 17 -12.435 -8.834 -1.161 1.00 5.62 H new ATOM 0 HD11 LEU B 17 -10.974 -9.721 -2.938 1.00 5.51 H new ATOM 0 HD12 LEU B 17 -10.458 -8.102 -2.408 1.00 5.51 H new ATOM 0 HD13 LEU B 17 -9.566 -9.542 -1.864 1.00 5.51 H new ATOM 0 HD21 LEU B 17 -12.074 -11.262 -1.348 1.00 6.49 H new ATOM 0 HD22 LEU B 17 -10.705 -11.143 -0.218 1.00 6.49 H new ATOM 0 HD23 LEU B 17 -12.353 -10.766 0.338 1.00 6.49 H new ATOM 1387 N GLY B 18 -11.225 -6.496 2.894 1.00 4.72 N ATOM 1388 CA GLY B 18 -10.560 -5.778 3.964 1.00 4.73 C ATOM 1389 C GLY B 18 -9.441 -4.886 3.466 1.00 4.26 C ATOM 1390 O GLY B 18 -8.607 -4.434 4.250 1.00 4.55 O ATOM 0 H GLY B 18 -11.888 -5.940 2.353 1.00 4.72 H new ATOM 0 HA2 GLY B 18 -11.292 -5.171 4.498 1.00 4.73 H new ATOM 0 HA3 GLY B 18 -10.156 -6.494 4.680 1.00 4.73 H new ATOM 1394 N VAL B 19 -9.420 -4.628 2.165 1.00 3.60 N ATOM 1395 CA VAL B 19 -8.403 -3.763 1.579 1.00 3.07 C ATOM 1396 C VAL B 19 -8.692 -2.307 1.932 1.00 2.71 C ATOM 1397 O VAL B 19 -9.717 -1.755 1.532 1.00 2.39 O ATOM 1398 CB VAL B 19 -8.332 -3.913 0.042 1.00 2.62 C ATOM 1399 CG1 VAL B 19 -7.229 -3.037 -0.539 1.00 2.10 C ATOM 1400 CG2 VAL B 19 -8.115 -5.371 -0.346 1.00 3.34 C ATOM 0 H VAL B 19 -10.093 -5.004 1.497 1.00 3.60 H new ATOM 0 HA VAL B 19 -7.441 -4.065 1.992 1.00 3.07 H new ATOM 0 HB VAL B 19 -9.284 -3.583 -0.374 1.00 2.62 H new ATOM 0 HG11 VAL B 19 -7.199 -3.160 -1.622 1.00 2.10 H new ATOM 0 HG12 VAL B 19 -7.429 -1.993 -0.298 1.00 2.10 H new ATOM 0 HG13 VAL B 19 -6.269 -3.331 -0.114 1.00 2.10 H new ATOM 0 HG21 VAL B 19 -8.068 -5.455 -1.432 1.00 3.34 H new ATOM 0 HG22 VAL B 19 -7.180 -5.727 0.087 1.00 3.34 H new ATOM 0 HG23 VAL B 19 -8.942 -5.974 0.029 1.00 3.34 H new ATOM 1410 N ARG B 20 -7.800 -1.701 2.704 1.00 2.95 N ATOM 1411 CA ARG B 20 -7.985 -0.328 3.150 1.00 3.09 C ATOM 1412 C ARG B 20 -6.732 0.511 2.912 1.00 2.88 C ATOM 1413 O ARG B 20 -5.614 0.054 3.151 1.00 2.99 O ATOM 1414 CB ARG B 20 -8.372 -0.304 4.630 1.00 3.99 C ATOM 1415 CG ARG B 20 -9.765 -0.859 4.890 1.00 4.33 C ATOM 1416 CD ARG B 20 -10.126 -0.855 6.366 1.00 5.13 C ATOM 1417 NE ARG B 20 -11.564 -1.024 6.553 1.00 5.49 N ATOM 1418 CZ ARG B 20 -12.155 -1.266 7.718 1.00 6.26 C ATOM 1419 NH1 ARG B 20 -11.438 -1.449 8.822 1.00 6.80 N ATOM 1420 NH2 ARG B 20 -13.477 -1.345 7.766 1.00 6.67 N ATOM 0 H ARG B 20 -6.940 -2.140 3.034 1.00 2.95 H new ATOM 0 HA ARG B 20 -8.792 0.111 2.564 1.00 3.09 H new ATOM 0 HB2 ARG B 20 -7.644 -0.882 5.199 1.00 3.99 H new ATOM 0 HB3 ARG B 20 -8.321 0.721 4.996 1.00 3.99 H new ATOM 0 HG2 ARG B 20 -10.497 -0.269 4.339 1.00 4.33 H new ATOM 0 HG3 ARG B 20 -9.824 -1.878 4.507 1.00 4.33 H new ATOM 0 HD2 ARG B 20 -9.592 -1.657 6.877 1.00 5.13 H new ATOM 0 HD3 ARG B 20 -9.804 0.082 6.820 1.00 5.13 H new ATOM 0 HE ARG B 20 -12.159 -0.951 5.728 1.00 5.49 H new ATOM 0 HH11 ARG B 20 -10.420 -1.404 8.782 1.00 6.80 H new ATOM 0 HH12 ARG B 20 -11.906 -1.634 9.709 1.00 6.80 H new ATOM 0 HH21 ARG B 20 -14.027 -1.221 6.916 1.00 6.67 H new ATOM 0 HH22 ARG B 20 -13.945 -1.530 8.653 1.00 6.67 H new ATOM 1434 N LEU B 21 -6.935 1.728 2.424 1.00 2.77 N ATOM 1435 CA LEU B 21 -5.849 2.684 2.221 1.00 2.92 C ATOM 1436 C LEU B 21 -6.216 4.019 2.848 1.00 3.68 C ATOM 1437 O LEU B 21 -7.346 4.482 2.706 1.00 3.80 O ATOM 1438 CB LEU B 21 -5.556 2.910 0.729 1.00 2.28 C ATOM 1439 CG LEU B 21 -4.883 1.757 -0.018 1.00 1.58 C ATOM 1440 CD1 LEU B 21 -5.893 0.682 -0.391 1.00 1.07 C ATOM 1441 CD2 LEU B 21 -4.171 2.287 -1.254 1.00 1.46 C ATOM 0 H LEU B 21 -7.854 2.082 2.158 1.00 2.77 H new ATOM 0 HA LEU B 21 -4.958 2.268 2.691 1.00 2.92 H new ATOM 0 HB2 LEU B 21 -6.497 3.138 0.228 1.00 2.28 H new ATOM 0 HB3 LEU B 21 -4.923 3.792 0.636 1.00 2.28 H new ATOM 0 HG LEU B 21 -4.146 1.299 0.642 1.00 1.58 H new ATOM 0 HD11 LEU B 21 -5.387 -0.125 -0.921 1.00 1.07 H new ATOM 0 HD12 LEU B 21 -6.356 0.288 0.514 1.00 1.07 H new ATOM 0 HD13 LEU B 21 -6.661 1.112 -1.034 1.00 1.07 H new ATOM 0 HD21 LEU B 21 -3.694 1.461 -1.781 1.00 1.46 H new ATOM 0 HD22 LEU B 21 -4.894 2.768 -1.912 1.00 1.46 H new ATOM 0 HD23 LEU B 21 -3.414 3.012 -0.955 1.00 1.46 H new ATOM 1453 N TRP B 22 -5.269 4.631 3.543 1.00 4.27 N ATOM 1454 CA TRP B 22 -5.485 5.955 4.108 1.00 5.07 C ATOM 1455 C TRP B 22 -4.160 6.684 4.271 1.00 5.46 C ATOM 1456 O TRP B 22 -3.119 6.061 4.462 1.00 5.34 O ATOM 1457 CB TRP B 22 -6.228 5.874 5.454 1.00 5.66 C ATOM 1458 CG TRP B 22 -5.455 5.232 6.572 1.00 5.95 C ATOM 1459 CD1 TRP B 22 -4.778 5.877 7.569 1.00 6.65 C ATOM 1460 CD2 TRP B 22 -5.294 3.828 6.818 1.00 5.65 C ATOM 1461 NE1 TRP B 22 -4.203 4.962 8.417 1.00 6.80 N ATOM 1462 CE2 TRP B 22 -4.505 3.697 7.978 1.00 6.24 C ATOM 1463 CE3 TRP B 22 -5.739 2.670 6.172 1.00 5.04 C ATOM 1464 CZ2 TRP B 22 -4.154 2.456 8.501 1.00 6.30 C ATOM 1465 CZ3 TRP B 22 -5.388 1.439 6.692 1.00 5.15 C ATOM 1466 CH2 TRP B 22 -4.602 1.340 7.848 1.00 5.80 C ATOM 0 H TRP B 22 -4.348 4.235 3.729 1.00 4.27 H new ATOM 0 HA TRP B 22 -6.111 6.518 3.416 1.00 5.07 H new ATOM 0 HB2 TRP B 22 -6.507 6.883 5.759 1.00 5.66 H new ATOM 0 HB3 TRP B 22 -7.154 5.318 5.307 1.00 5.66 H new ATOM 0 HD1 TRP B 22 -4.706 6.949 7.675 1.00 6.65 H new ATOM 0 HE1 TRP B 22 -3.643 5.186 9.239 1.00 6.80 H new ATOM 0 HE3 TRP B 22 -6.347 2.737 5.282 1.00 5.04 H new ATOM 0 HZ2 TRP B 22 -3.549 2.376 9.392 1.00 6.30 H new ATOM 0 HZ3 TRP B 22 -5.725 0.539 6.200 1.00 5.15 H new ATOM 0 HH2 TRP B 22 -4.345 0.364 8.231 1.00 5.80 H new ATOM 1477 N VAL B 23 -4.198 8.000 4.174 1.00 5.98 N ATOM 1478 CA VAL B 23 -3.002 8.800 4.361 1.00 6.42 C ATOM 1479 C VAL B 23 -2.840 9.135 5.841 1.00 7.21 C ATOM 1480 O VAL B 23 -3.790 9.558 6.503 1.00 7.74 O ATOM 1481 CB VAL B 23 -3.029 10.090 3.497 1.00 6.77 C ATOM 1482 CG1 VAL B 23 -4.240 10.956 3.825 1.00 7.35 C ATOM 1483 CG2 VAL B 23 -1.735 10.875 3.657 1.00 7.25 C ATOM 0 H VAL B 23 -5.041 8.536 3.968 1.00 5.98 H new ATOM 0 HA VAL B 23 -2.143 8.217 4.029 1.00 6.42 H new ATOM 0 HB VAL B 23 -3.116 9.789 2.453 1.00 6.77 H new ATOM 0 HG11 VAL B 23 -4.227 11.850 3.202 1.00 7.35 H new ATOM 0 HG12 VAL B 23 -5.153 10.393 3.632 1.00 7.35 H new ATOM 0 HG13 VAL B 23 -4.207 11.245 4.875 1.00 7.35 H new ATOM 0 HG21 VAL B 23 -1.777 11.774 3.043 1.00 7.25 H new ATOM 0 HG22 VAL B 23 -1.606 11.155 4.702 1.00 7.25 H new ATOM 0 HG23 VAL B 23 -0.894 10.258 3.341 1.00 7.25 H new ATOM 1493 N GLU B 24 -1.648 8.906 6.365 1.00 7.30 N ATOM 1494 CA GLU B 24 -1.400 9.069 7.785 1.00 8.08 C ATOM 1495 C GLU B 24 -0.094 9.822 8.010 1.00 8.45 C ATOM 1496 O GLU B 24 0.986 9.330 7.676 1.00 8.09 O ATOM 1497 CB GLU B 24 -1.359 7.693 8.445 1.00 7.99 C ATOM 1498 CG GLU B 24 -1.264 7.724 9.956 1.00 8.87 C ATOM 1499 CD GLU B 24 -1.322 6.337 10.558 1.00 9.06 C ATOM 1500 OE1 GLU B 24 -2.441 5.801 10.704 1.00 9.18 O ATOM 1501 OE2 GLU B 24 -0.249 5.777 10.876 1.00 9.44 O ATOM 0 H GLU B 24 -0.836 8.606 5.826 1.00 7.30 H new ATOM 0 HA GLU B 24 -2.202 9.654 8.234 1.00 8.08 H new ATOM 0 HB2 GLU B 24 -2.255 7.141 8.161 1.00 7.99 H new ATOM 0 HB3 GLU B 24 -0.506 7.140 8.051 1.00 7.99 H new ATOM 0 HG2 GLU B 24 -0.333 8.208 10.250 1.00 8.87 H new ATOM 0 HG3 GLU B 24 -2.078 8.328 10.358 1.00 8.87 H new ATOM 1508 N GLY B 25 -0.201 11.019 8.568 1.00 9.20 N ATOM 1509 CA GLY B 25 0.962 11.855 8.765 1.00 9.66 C ATOM 1510 C GLY B 25 1.547 12.327 7.452 1.00 9.29 C ATOM 1511 O GLY B 25 1.014 13.232 6.812 1.00 9.46 O ATOM 0 H GLY B 25 -1.079 11.427 8.889 1.00 9.20 H new ATOM 0 HA2 GLY B 25 0.690 12.718 9.372 1.00 9.66 H new ATOM 0 HA3 GLY B 25 1.718 11.300 9.321 1.00 9.66 H new ATOM 1515 N GLU B 26 2.639 11.705 7.042 1.00 8.83 N ATOM 1516 CA GLU B 26 3.301 12.072 5.803 1.00 8.54 C ATOM 1517 C GLU B 26 3.282 10.922 4.805 1.00 7.58 C ATOM 1518 O GLU B 26 3.787 11.052 3.691 1.00 7.39 O ATOM 1519 CB GLU B 26 4.746 12.495 6.081 1.00 8.75 C ATOM 1520 CG GLU B 26 5.573 11.426 6.777 1.00 9.32 C ATOM 1521 CD GLU B 26 6.779 11.006 5.966 1.00 8.94 C ATOM 1522 OE1 GLU B 26 7.724 11.813 5.835 1.00 9.25 O ATOM 1523 OE2 GLU B 26 6.793 9.866 5.457 1.00 9.09 O ATOM 0 H GLU B 26 3.086 10.942 7.550 1.00 8.83 H new ATOM 0 HA GLU B 26 2.756 12.910 5.368 1.00 8.54 H new ATOM 0 HB2 GLU B 26 5.226 12.757 5.138 1.00 8.75 H new ATOM 0 HB3 GLU B 26 4.740 13.395 6.696 1.00 8.75 H new ATOM 0 HG2 GLU B 26 5.903 11.801 7.746 1.00 9.32 H new ATOM 0 HG3 GLU B 26 4.947 10.555 6.969 1.00 9.32 H new ATOM 1530 N ARG B 27 2.692 9.797 5.190 1.00 7.08 N ATOM 1531 CA ARG B 27 2.794 8.604 4.370 1.00 6.17 C ATOM 1532 C ARG B 27 1.472 7.840 4.331 1.00 5.81 C ATOM 1533 O ARG B 27 0.718 7.833 5.303 1.00 6.17 O ATOM 1534 CB ARG B 27 3.911 7.715 4.916 1.00 5.82 C ATOM 1535 CG ARG B 27 4.565 6.823 3.874 1.00 5.05 C ATOM 1536 CD ARG B 27 5.079 7.631 2.693 1.00 5.18 C ATOM 1537 NE ARG B 27 5.973 8.706 3.115 1.00 5.89 N ATOM 1538 CZ ARG B 27 6.554 9.571 2.286 1.00 6.56 C ATOM 1539 NH1 ARG B 27 6.337 9.499 0.976 1.00 6.63 N ATOM 1540 NH2 ARG B 27 7.334 10.520 2.779 1.00 7.34 N ATOM 0 H ARG B 27 2.150 9.689 6.047 1.00 7.08 H new ATOM 0 HA ARG B 27 3.028 8.900 3.347 1.00 6.17 H new ATOM 0 HB2 ARG B 27 4.675 8.348 5.367 1.00 5.82 H new ATOM 0 HB3 ARG B 27 3.506 7.089 5.711 1.00 5.82 H new ATOM 0 HG2 ARG B 27 5.391 6.276 4.329 1.00 5.05 H new ATOM 0 HG3 ARG B 27 3.846 6.082 3.524 1.00 5.05 H new ATOM 0 HD2 ARG B 27 5.605 6.971 2.003 1.00 5.18 H new ATOM 0 HD3 ARG B 27 4.235 8.054 2.148 1.00 5.18 H new ATOM 0 HE ARG B 27 6.165 8.801 4.112 1.00 5.89 H new ATOM 0 HH11 ARG B 27 5.722 8.778 0.600 1.00 6.63 H new ATOM 0 HH12 ARG B 27 6.786 10.165 0.347 1.00 6.63 H new ATOM 0 HH21 ARG B 27 7.485 10.584 3.786 1.00 7.34 H new ATOM 0 HH22 ARG B 27 7.784 11.187 2.152 1.00 7.34 H new ATOM 1554 N LEU B 28 1.198 7.210 3.201 1.00 5.18 N ATOM 1555 CA LEU B 28 -0.016 6.423 3.027 1.00 4.75 C ATOM 1556 C LEU B 28 0.139 5.052 3.691 1.00 4.35 C ATOM 1557 O LEU B 28 1.182 4.407 3.575 1.00 3.95 O ATOM 1558 CB LEU B 28 -0.325 6.282 1.525 1.00 4.29 C ATOM 1559 CG LEU B 28 -1.631 5.562 1.161 1.00 3.68 C ATOM 1560 CD1 LEU B 28 -2.193 6.121 -0.136 1.00 3.48 C ATOM 1561 CD2 LEU B 28 -1.401 4.065 1.015 1.00 3.83 C ATOM 0 H LEU B 28 1.805 7.228 2.382 1.00 5.18 H new ATOM 0 HA LEU B 28 -0.851 6.932 3.508 1.00 4.75 H new ATOM 0 HB2 LEU B 28 -0.351 7.280 1.087 1.00 4.29 H new ATOM 0 HB3 LEU B 28 0.501 5.749 1.055 1.00 4.29 H new ATOM 0 HG LEU B 28 -2.346 5.728 1.967 1.00 3.68 H new ATOM 0 HD11 LEU B 28 -3.119 5.603 -0.384 1.00 3.48 H new ATOM 0 HD12 LEU B 28 -2.394 7.186 -0.017 1.00 3.48 H new ATOM 0 HD13 LEU B 28 -1.470 5.976 -0.938 1.00 3.48 H new ATOM 0 HD21 LEU B 28 -2.340 3.576 0.757 1.00 3.83 H new ATOM 0 HD22 LEU B 28 -0.670 3.884 0.227 1.00 3.83 H new ATOM 0 HD23 LEU B 28 -1.028 3.661 1.956 1.00 3.83 H new ATOM 1573 N ARG B 29 -0.896 4.636 4.407 1.00 4.62 N ATOM 1574 CA ARG B 29 -0.929 3.321 5.032 1.00 4.54 C ATOM 1575 C ARG B 29 -1.775 2.368 4.202 1.00 3.87 C ATOM 1576 O ARG B 29 -2.844 2.739 3.710 1.00 3.74 O ATOM 1577 CB ARG B 29 -1.504 3.397 6.450 1.00 5.38 C ATOM 1578 CG ARG B 29 -0.472 3.607 7.547 1.00 6.16 C ATOM 1579 CD ARG B 29 0.288 4.907 7.377 1.00 6.30 C ATOM 1580 NE ARG B 29 1.113 5.203 8.544 1.00 6.97 N ATOM 1581 CZ ARG B 29 2.393 5.550 8.483 1.00 7.39 C ATOM 1582 NH1 ARG B 29 2.988 5.689 7.305 1.00 7.29 N ATOM 1583 NH2 ARG B 29 3.074 5.763 9.602 1.00 8.07 N ATOM 0 H ARG B 29 -1.732 5.197 4.571 1.00 4.62 H new ATOM 0 HA ARG B 29 0.096 2.954 5.088 1.00 4.54 H new ATOM 0 HB2 ARG B 29 -2.227 4.212 6.490 1.00 5.38 H new ATOM 0 HB3 ARG B 29 -2.050 2.476 6.655 1.00 5.38 H new ATOM 0 HG2 ARG B 29 -0.969 3.603 8.517 1.00 6.16 H new ATOM 0 HG3 ARG B 29 0.231 2.774 7.546 1.00 6.16 H new ATOM 0 HD2 ARG B 29 0.919 4.847 6.490 1.00 6.30 H new ATOM 0 HD3 ARG B 29 -0.417 5.722 7.212 1.00 6.30 H new ATOM 0 HE ARG B 29 0.679 5.139 9.465 1.00 6.97 H new ATOM 0 HH11 ARG B 29 2.462 5.529 6.446 1.00 7.29 H new ATOM 0 HH12 ARG B 29 3.971 5.956 7.259 1.00 7.29 H new ATOM 0 HH21 ARG B 29 2.614 5.660 10.506 1.00 8.07 H new ATOM 0 HH22 ARG B 29 4.058 6.030 9.558 1.00 8.07 H new ATOM 1597 N PHE B 30 -1.291 1.147 4.051 1.00 3.54 N ATOM 1598 CA PHE B 30 -1.994 0.139 3.277 1.00 3.01 C ATOM 1599 C PHE B 30 -2.341 -1.041 4.180 1.00 3.62 C ATOM 1600 O PHE B 30 -1.490 -1.529 4.923 1.00 4.16 O ATOM 1601 CB PHE B 30 -1.112 -0.322 2.114 1.00 2.37 C ATOM 1602 CG PHE B 30 -1.868 -0.798 0.902 1.00 1.77 C ATOM 1603 CD1 PHE B 30 -2.700 -1.903 0.967 1.00 1.94 C ATOM 1604 CD2 PHE B 30 -1.733 -0.137 -0.310 1.00 2.01 C ATOM 1605 CE1 PHE B 30 -3.391 -2.336 -0.149 1.00 1.84 C ATOM 1606 CE2 PHE B 30 -2.419 -0.566 -1.430 1.00 1.96 C ATOM 1607 CZ PHE B 30 -3.246 -1.669 -1.351 1.00 1.59 C ATOM 0 H PHE B 30 -0.410 0.829 4.456 1.00 3.54 H new ATOM 0 HA PHE B 30 -2.915 0.560 2.873 1.00 3.01 H new ATOM 0 HB2 PHE B 30 -0.462 0.502 1.820 1.00 2.37 H new ATOM 0 HB3 PHE B 30 -0.466 -1.128 2.463 1.00 2.37 H new ATOM 0 HD1 PHE B 30 -2.810 -2.433 1.901 1.00 1.94 H new ATOM 0 HD2 PHE B 30 -1.084 0.723 -0.379 1.00 2.01 H new ATOM 0 HE1 PHE B 30 -4.043 -3.194 -0.082 1.00 1.84 H new ATOM 0 HE2 PHE B 30 -2.309 -0.039 -2.366 1.00 1.96 H new ATOM 0 HZ PHE B 30 -3.778 -2.010 -2.227 1.00 1.59 H new ATOM 1617 N GLN B 31 -3.587 -1.479 4.128 1.00 3.62 N ATOM 1618 CA GLN B 31 -4.037 -2.611 4.919 1.00 4.28 C ATOM 1619 C GLN B 31 -4.684 -3.647 4.015 1.00 4.09 C ATOM 1620 O GLN B 31 -5.722 -3.384 3.407 1.00 3.68 O ATOM 1621 CB GLN B 31 -5.034 -2.139 5.980 1.00 4.83 C ATOM 1622 CG GLN B 31 -5.476 -3.213 6.964 1.00 5.54 C ATOM 1623 CD GLN B 31 -4.330 -3.761 7.793 1.00 6.28 C ATOM 1624 OE1 GLN B 31 -3.974 -3.197 8.827 1.00 6.66 O ATOM 1625 NE2 GLN B 31 -3.768 -4.880 7.368 1.00 6.72 N ATOM 0 H GLN B 31 -4.310 -1.064 3.541 1.00 3.62 H new ATOM 0 HA GLN B 31 -3.180 -3.064 5.417 1.00 4.28 H new ATOM 0 HB2 GLN B 31 -4.587 -1.317 6.538 1.00 4.83 H new ATOM 0 HB3 GLN B 31 -5.916 -1.741 5.478 1.00 4.83 H new ATOM 0 HG2 GLN B 31 -6.234 -2.799 7.629 1.00 5.54 H new ATOM 0 HG3 GLN B 31 -5.945 -4.030 6.416 1.00 5.54 H new ATOM 0 HE21 GLN B 31 -4.092 -5.317 6.505 1.00 6.72 H new ATOM 0 HE22 GLN B 31 -3.011 -5.306 7.903 1.00 6.72 H new ATOM 1634 N ALA B 32 -4.060 -4.810 3.907 1.00 4.50 N ATOM 1635 CA ALA B 32 -4.582 -5.877 3.067 1.00 4.62 C ATOM 1636 C ALA B 32 -4.216 -7.247 3.623 1.00 5.46 C ATOM 1637 O ALA B 32 -3.062 -7.497 3.966 1.00 5.75 O ATOM 1638 CB ALA B 32 -4.056 -5.733 1.648 1.00 4.15 C ATOM 0 H ALA B 32 -3.192 -5.039 4.390 1.00 4.50 H new ATOM 0 HA ALA B 32 -5.669 -5.795 3.057 1.00 4.62 H new ATOM 0 HB1 ALA B 32 -4.454 -6.537 1.029 1.00 4.15 H new ATOM 0 HB2 ALA B 32 -4.369 -4.772 1.240 1.00 4.15 H new ATOM 0 HB3 ALA B 32 -2.967 -5.786 1.656 1.00 4.15 H new ATOM 1644 N PRO B 33 -5.206 -8.146 3.743 1.00 5.89 N ATOM 1645 CA PRO B 33 -4.975 -9.532 4.173 1.00 6.71 C ATOM 1646 C PRO B 33 -4.067 -10.296 3.207 1.00 6.87 C ATOM 1647 O PRO B 33 -4.025 -10.005 2.007 1.00 6.45 O ATOM 1648 CB PRO B 33 -6.380 -10.148 4.182 1.00 6.98 C ATOM 1649 CG PRO B 33 -7.306 -8.986 4.258 1.00 6.45 C ATOM 1650 CD PRO B 33 -6.632 -7.880 3.500 1.00 5.63 C ATOM 0 HA PRO B 33 -4.471 -9.577 5.138 1.00 6.71 H new ATOM 0 HB2 PRO B 33 -6.559 -10.738 3.283 1.00 6.98 H new ATOM 0 HB3 PRO B 33 -6.513 -10.816 5.033 1.00 6.98 H new ATOM 0 HG2 PRO B 33 -8.274 -9.228 3.820 1.00 6.45 H new ATOM 0 HG3 PRO B 33 -7.488 -8.697 5.293 1.00 6.45 H new ATOM 0 HD2 PRO B 33 -6.875 -7.910 2.438 1.00 5.63 H new ATOM 0 HD3 PRO B 33 -6.929 -6.898 3.867 1.00 5.63 H new ATOM 1658 N PRO B 34 -3.328 -11.289 3.714 1.00 7.55 N ATOM 1659 CA PRO B 34 -2.408 -12.070 2.893 1.00 7.81 C ATOM 1660 C PRO B 34 -3.134 -12.904 1.843 1.00 8.02 C ATOM 1661 O PRO B 34 -4.007 -13.710 2.163 1.00 8.45 O ATOM 1662 CB PRO B 34 -1.696 -12.975 3.901 1.00 8.57 C ATOM 1663 CG PRO B 34 -2.609 -13.047 5.076 1.00 8.85 C ATOM 1664 CD PRO B 34 -3.336 -11.732 5.119 1.00 8.16 C ATOM 0 HA PRO B 34 -1.729 -11.431 2.329 1.00 7.81 H new ATOM 0 HB2 PRO B 34 -1.515 -13.965 3.482 1.00 8.57 H new ATOM 0 HB3 PRO B 34 -0.726 -12.565 4.181 1.00 8.57 H new ATOM 0 HG2 PRO B 34 -3.309 -13.876 4.976 1.00 8.85 H new ATOM 0 HG3 PRO B 34 -2.048 -13.213 5.996 1.00 8.85 H new ATOM 0 HD2 PRO B 34 -4.352 -11.847 5.498 1.00 8.16 H new ATOM 0 HD3 PRO B 34 -2.833 -11.016 5.769 1.00 8.16 H new ATOM 1672 N GLY B 35 -2.770 -12.695 0.586 1.00 7.75 N ATOM 1673 CA GLY B 35 -3.334 -13.485 -0.490 1.00 8.09 C ATOM 1674 C GLY B 35 -4.223 -12.676 -1.414 1.00 7.59 C ATOM 1675 O GLY B 35 -4.267 -12.937 -2.614 1.00 7.78 O ATOM 0 H GLY B 35 -2.093 -11.991 0.291 1.00 7.75 H new ATOM 0 HA2 GLY B 35 -2.525 -13.930 -1.070 1.00 8.09 H new ATOM 0 HA3 GLY B 35 -3.911 -14.307 -0.066 1.00 8.09 H new ATOM 1679 N VAL B 36 -4.917 -11.680 -0.871 1.00 7.00 N ATOM 1680 CA VAL B 36 -5.846 -10.881 -1.672 1.00 6.54 C ATOM 1681 C VAL B 36 -5.125 -9.759 -2.412 1.00 5.96 C ATOM 1682 O VAL B 36 -5.709 -9.096 -3.262 1.00 5.81 O ATOM 1683 CB VAL B 36 -6.977 -10.268 -0.813 1.00 6.15 C ATOM 1684 CG1 VAL B 36 -7.743 -11.355 -0.076 1.00 6.78 C ATOM 1685 CG2 VAL B 36 -6.423 -9.244 0.170 1.00 5.59 C ATOM 0 H VAL B 36 -4.857 -11.407 0.110 1.00 7.00 H new ATOM 0 HA VAL B 36 -6.287 -11.567 -2.395 1.00 6.54 H new ATOM 0 HB VAL B 36 -7.667 -9.755 -1.484 1.00 6.15 H new ATOM 0 HG11 VAL B 36 -8.534 -10.901 0.522 1.00 6.78 H new ATOM 0 HG12 VAL B 36 -8.183 -12.043 -0.798 1.00 6.78 H new ATOM 0 HG13 VAL B 36 -7.062 -11.901 0.577 1.00 6.78 H new ATOM 0 HG21 VAL B 36 -7.239 -8.829 0.761 1.00 5.59 H new ATOM 0 HG22 VAL B 36 -5.704 -9.727 0.832 1.00 5.59 H new ATOM 0 HG23 VAL B 36 -5.929 -8.443 -0.379 1.00 5.59 H new ATOM 1695 N MET B 37 -3.844 -9.580 -2.107 1.00 5.73 N ATOM 1696 CA MET B 37 -3.057 -8.477 -2.661 1.00 5.13 C ATOM 1697 C MET B 37 -2.534 -8.815 -4.061 1.00 5.49 C ATOM 1698 O MET B 37 -1.576 -8.214 -4.537 1.00 5.20 O ATOM 1699 CB MET B 37 -1.892 -8.135 -1.719 1.00 4.75 C ATOM 1700 CG MET B 37 -1.214 -6.796 -2.004 1.00 4.01 C ATOM 1701 SD MET B 37 -2.091 -5.376 -1.303 1.00 3.52 S ATOM 1702 CE MET B 37 -3.611 -5.354 -2.251 1.00 3.19 C ATOM 0 H MET B 37 -3.323 -10.188 -1.475 1.00 5.73 H new ATOM 0 HA MET B 37 -3.707 -7.607 -2.751 1.00 5.13 H new ATOM 0 HB2 MET B 37 -2.261 -8.129 -0.693 1.00 4.75 H new ATOM 0 HB3 MET B 37 -1.145 -8.926 -1.784 1.00 4.75 H new ATOM 0 HG2 MET B 37 -0.200 -6.819 -1.605 1.00 4.01 H new ATOM 0 HG3 MET B 37 -1.129 -6.664 -3.083 1.00 4.01 H new ATOM 0 HE1 MET B 37 -3.917 -4.322 -2.425 1.00 3.19 H new ATOM 0 HE2 MET B 37 -3.450 -5.851 -3.208 1.00 3.19 H new ATOM 0 HE3 MET B 37 -4.392 -5.876 -1.698 1.00 3.19 H new ATOM 1712 N THR B 38 -3.170 -9.785 -4.710 1.00 6.18 N ATOM 1713 CA THR B 38 -2.770 -10.214 -6.047 1.00 6.68 C ATOM 1714 C THR B 38 -2.635 -9.021 -6.998 1.00 6.35 C ATOM 1715 O THR B 38 -3.463 -8.108 -6.975 1.00 5.90 O ATOM 1716 CB THR B 38 -3.787 -11.216 -6.629 1.00 7.43 C ATOM 1717 OG1 THR B 38 -5.122 -10.737 -6.418 1.00 7.27 O ATOM 1718 CG2 THR B 38 -3.623 -12.588 -5.993 1.00 7.96 C ATOM 0 H THR B 38 -3.969 -10.292 -4.330 1.00 6.18 H new ATOM 0 HA THR B 38 -1.799 -10.700 -5.952 1.00 6.68 H new ATOM 0 HB THR B 38 -3.601 -11.309 -7.699 1.00 7.43 H new ATOM 0 HG1 THR B 38 -5.762 -11.378 -6.792 1.00 7.27 H new ATOM 0 HG21 THR B 38 -4.352 -13.277 -6.420 1.00 7.96 H new ATOM 0 HG22 THR B 38 -2.616 -12.960 -6.185 1.00 7.96 H new ATOM 0 HG23 THR B 38 -3.783 -12.512 -4.917 1.00 7.96 H new ATOM 1726 N PRO B 39 -1.589 -9.028 -7.845 1.00 6.65 N ATOM 1727 CA PRO B 39 -1.278 -7.918 -8.761 1.00 6.53 C ATOM 1728 C PRO B 39 -2.490 -7.423 -9.552 1.00 6.66 C ATOM 1729 O PRO B 39 -2.674 -6.217 -9.723 1.00 6.35 O ATOM 1730 CB PRO B 39 -0.237 -8.524 -9.700 1.00 7.19 C ATOM 1731 CG PRO B 39 0.446 -9.555 -8.876 1.00 7.30 C ATOM 1732 CD PRO B 39 -0.612 -10.128 -7.972 1.00 7.21 C ATOM 0 HA PRO B 39 -0.935 -7.037 -8.218 1.00 6.53 H new ATOM 0 HB2 PRO B 39 -0.704 -8.964 -10.581 1.00 7.19 H new ATOM 0 HB3 PRO B 39 0.465 -7.770 -10.055 1.00 7.19 H new ATOM 0 HG2 PRO B 39 0.884 -10.330 -9.505 1.00 7.30 H new ATOM 0 HG3 PRO B 39 1.259 -9.117 -8.297 1.00 7.30 H new ATOM 0 HD2 PRO B 39 -1.066 -11.021 -8.401 1.00 7.21 H new ATOM 0 HD3 PRO B 39 -0.201 -10.414 -7.004 1.00 7.21 H new ATOM 1740 N GLU B 40 -3.317 -8.350 -10.029 1.00 7.16 N ATOM 1741 CA GLU B 40 -4.521 -7.988 -10.772 1.00 7.32 C ATOM 1742 C GLU B 40 -5.430 -7.085 -9.938 1.00 6.59 C ATOM 1743 O GLU B 40 -5.984 -6.115 -10.449 1.00 6.46 O ATOM 1744 CB GLU B 40 -5.292 -9.234 -11.215 1.00 7.95 C ATOM 1745 CG GLU B 40 -6.510 -8.914 -12.065 1.00 8.17 C ATOM 1746 CD GLU B 40 -7.290 -10.147 -12.469 1.00 8.67 C ATOM 1747 OE1 GLU B 40 -8.123 -10.619 -11.667 1.00 8.70 O ATOM 1748 OE2 GLU B 40 -7.096 -10.635 -13.598 1.00 9.22 O ATOM 0 H GLU B 40 -3.176 -9.354 -9.915 1.00 7.16 H new ATOM 0 HA GLU B 40 -4.203 -7.441 -11.660 1.00 7.32 H new ATOM 0 HB2 GLU B 40 -4.624 -9.885 -11.779 1.00 7.95 H new ATOM 0 HB3 GLU B 40 -5.609 -9.790 -10.333 1.00 7.95 H new ATOM 0 HG2 GLU B 40 -7.165 -8.241 -11.512 1.00 8.17 H new ATOM 0 HG3 GLU B 40 -6.191 -8.383 -12.962 1.00 8.17 H new ATOM 1755 N LEU B 41 -5.558 -7.392 -8.649 1.00 6.17 N ATOM 1756 CA LEU B 41 -6.402 -6.600 -7.761 1.00 5.47 C ATOM 1757 C LEU B 41 -5.849 -5.192 -7.635 1.00 4.86 C ATOM 1758 O LEU B 41 -6.596 -4.215 -7.671 1.00 4.46 O ATOM 1759 CB LEU B 41 -6.490 -7.223 -6.366 1.00 5.29 C ATOM 1760 CG LEU B 41 -7.421 -6.479 -5.404 1.00 4.67 C ATOM 1761 CD1 LEU B 41 -8.773 -7.166 -5.325 1.00 5.06 C ATOM 1762 CD2 LEU B 41 -6.794 -6.352 -4.027 1.00 4.24 C ATOM 0 H LEU B 41 -5.090 -8.179 -8.199 1.00 6.17 H new ATOM 0 HA LEU B 41 -7.401 -6.575 -8.196 1.00 5.47 H new ATOM 0 HB2 LEU B 41 -6.833 -8.253 -6.461 1.00 5.29 H new ATOM 0 HB3 LEU B 41 -5.491 -7.258 -5.932 1.00 5.29 H new ATOM 0 HG LEU B 41 -7.575 -5.473 -5.794 1.00 4.67 H new ATOM 0 HD11 LEU B 41 -9.418 -6.621 -4.636 1.00 5.06 H new ATOM 0 HD12 LEU B 41 -9.231 -7.184 -6.314 1.00 5.06 H new ATOM 0 HD13 LEU B 41 -8.642 -8.187 -4.968 1.00 5.06 H new ATOM 0 HD21 LEU B 41 -7.476 -5.820 -3.364 1.00 4.24 H new ATOM 0 HD22 LEU B 41 -6.597 -7.345 -3.624 1.00 4.24 H new ATOM 0 HD23 LEU B 41 -5.858 -5.799 -4.103 1.00 4.24 H new ATOM 1774 N GLN B 42 -4.531 -5.094 -7.502 1.00 4.84 N ATOM 1775 CA GLN B 42 -3.873 -3.805 -7.352 1.00 4.35 C ATOM 1776 C GLN B 42 -4.079 -2.966 -8.608 1.00 4.69 C ATOM 1777 O GLN B 42 -4.267 -1.750 -8.536 1.00 4.37 O ATOM 1778 CB GLN B 42 -2.378 -3.986 -7.078 1.00 4.43 C ATOM 1779 CG GLN B 42 -2.074 -5.023 -6.009 1.00 4.02 C ATOM 1780 CD GLN B 42 -0.653 -4.932 -5.494 1.00 3.27 C ATOM 1781 OE1 GLN B 42 0.268 -5.533 -6.048 1.00 3.29 O ATOM 1782 NE2 GLN B 42 -0.469 -4.186 -4.419 1.00 3.09 N ATOM 0 H GLN B 42 -3.898 -5.894 -7.495 1.00 4.84 H new ATOM 0 HA GLN B 42 -4.316 -3.288 -6.501 1.00 4.35 H new ATOM 0 HB2 GLN B 42 -1.880 -4.275 -8.004 1.00 4.43 H new ATOM 0 HB3 GLN B 42 -1.955 -3.029 -6.774 1.00 4.43 H new ATOM 0 HG2 GLN B 42 -2.767 -4.895 -5.177 1.00 4.02 H new ATOM 0 HG3 GLN B 42 -2.245 -6.019 -6.416 1.00 4.02 H new ATOM 0 HE21 GLN B 42 -1.260 -3.705 -3.991 1.00 3.09 H new ATOM 0 HE22 GLN B 42 0.464 -4.091 -4.017 1.00 3.09 H new ATOM 1791 N SER B 43 -4.061 -3.634 -9.755 1.00 5.44 N ATOM 1792 CA SER B 43 -4.302 -2.975 -11.025 1.00 5.93 C ATOM 1793 C SER B 43 -5.758 -2.512 -11.105 1.00 5.79 C ATOM 1794 O SER B 43 -6.048 -1.442 -11.639 1.00 5.94 O ATOM 1795 CB SER B 43 -3.973 -3.923 -12.183 1.00 6.77 C ATOM 1796 OG SER B 43 -3.992 -3.245 -13.429 1.00 7.35 O ATOM 0 H SER B 43 -3.881 -4.635 -9.828 1.00 5.44 H new ATOM 0 HA SER B 43 -3.655 -2.101 -11.101 1.00 5.93 H new ATOM 0 HB2 SER B 43 -2.990 -4.367 -12.024 1.00 6.77 H new ATOM 0 HB3 SER B 43 -4.693 -4.741 -12.201 1.00 6.77 H new ATOM 0 HG SER B 43 -3.777 -3.875 -14.148 1.00 7.35 H new ATOM 1802 N ARG B 44 -6.667 -3.318 -10.559 1.00 5.57 N ATOM 1803 CA ARG B 44 -8.080 -2.954 -10.514 1.00 5.41 C ATOM 1804 C ARG B 44 -8.291 -1.755 -9.599 1.00 4.69 C ATOM 1805 O ARG B 44 -9.078 -0.864 -9.910 1.00 4.71 O ATOM 1806 CB ARG B 44 -8.948 -4.121 -10.037 1.00 5.44 C ATOM 1807 CG ARG B 44 -8.885 -5.351 -10.927 1.00 6.25 C ATOM 1808 CD ARG B 44 -9.907 -6.387 -10.497 1.00 6.38 C ATOM 1809 NE ARG B 44 -9.737 -7.667 -11.186 1.00 7.03 N ATOM 1810 CZ ARG B 44 -10.638 -8.190 -12.017 1.00 7.53 C ATOM 1811 NH1 ARG B 44 -11.715 -7.489 -12.361 1.00 7.50 N ATOM 1812 NH2 ARG B 44 -10.444 -9.404 -12.524 1.00 8.28 N ATOM 0 H ARG B 44 -6.450 -4.224 -10.143 1.00 5.57 H new ATOM 0 HA ARG B 44 -8.382 -2.696 -11.529 1.00 5.41 H new ATOM 0 HB2 ARG B 44 -8.640 -4.400 -9.029 1.00 5.44 H new ATOM 0 HB3 ARG B 44 -9.983 -3.786 -9.973 1.00 5.44 H new ATOM 0 HG2 ARG B 44 -9.066 -5.064 -11.963 1.00 6.25 H new ATOM 0 HG3 ARG B 44 -7.885 -5.783 -10.886 1.00 6.25 H new ATOM 0 HD2 ARG B 44 -9.828 -6.545 -9.421 1.00 6.38 H new ATOM 0 HD3 ARG B 44 -10.909 -6.005 -10.691 1.00 6.38 H new ATOM 0 HE ARG B 44 -8.877 -8.190 -11.020 1.00 7.03 H new ATOM 0 HH11 ARG B 44 -11.852 -6.549 -11.989 1.00 7.50 H new ATOM 0 HH12 ARG B 44 -12.403 -7.891 -12.997 1.00 7.50 H new ATOM 0 HH21 ARG B 44 -9.607 -9.932 -12.277 1.00 8.28 H new ATOM 0 HH22 ARG B 44 -11.132 -9.807 -13.160 1.00 8.28 H new ATOM 1826 N LEU B 45 -7.580 -1.744 -8.467 1.00 4.13 N ATOM 1827 CA LEU B 45 -7.626 -0.615 -7.543 1.00 3.49 C ATOM 1828 C LEU B 45 -7.229 0.663 -8.272 1.00 3.91 C ATOM 1829 O LEU B 45 -7.834 1.717 -8.088 1.00 3.85 O ATOM 1830 CB LEU B 45 -6.677 -0.847 -6.360 1.00 2.89 C ATOM 1831 CG LEU B 45 -7.011 -2.048 -5.469 1.00 2.68 C ATOM 1832 CD1 LEU B 45 -5.898 -2.288 -4.460 1.00 2.32 C ATOM 1833 CD2 LEU B 45 -8.337 -1.837 -4.752 1.00 2.32 C ATOM 0 H LEU B 45 -6.968 -2.505 -8.172 1.00 4.13 H new ATOM 0 HA LEU B 45 -8.643 -0.519 -7.163 1.00 3.49 H new ATOM 0 HB2 LEU B 45 -5.666 -0.975 -6.748 1.00 2.89 H new ATOM 0 HB3 LEU B 45 -6.670 0.051 -5.742 1.00 2.89 H new ATOM 0 HG LEU B 45 -7.101 -2.928 -6.105 1.00 2.68 H new ATOM 0 HD11 LEU B 45 -6.152 -3.145 -3.835 1.00 2.32 H new ATOM 0 HD12 LEU B 45 -4.965 -2.487 -4.988 1.00 2.32 H new ATOM 0 HD13 LEU B 45 -5.779 -1.404 -3.833 1.00 2.32 H new ATOM 0 HD21 LEU B 45 -8.554 -2.702 -4.125 1.00 2.32 H new ATOM 0 HD22 LEU B 45 -8.276 -0.944 -4.130 1.00 2.32 H new ATOM 0 HD23 LEU B 45 -9.132 -1.713 -5.487 1.00 2.32 H new ATOM 1845 N GLY B 46 -6.177 0.559 -9.075 1.00 4.49 N ATOM 1846 CA GLY B 46 -5.814 1.628 -9.983 1.00 5.11 C ATOM 1847 C GLY B 46 -4.993 2.710 -9.321 1.00 4.95 C ATOM 1848 O GLY B 46 -4.244 3.424 -9.988 1.00 5.58 O ATOM 0 H GLY B 46 -5.564 -0.255 -9.112 1.00 4.49 H new ATOM 0 HA2 GLY B 46 -5.251 1.212 -10.819 1.00 5.11 H new ATOM 0 HA3 GLY B 46 -6.721 2.069 -10.397 1.00 5.11 H new ATOM 1852 N GLY B 47 -5.115 2.819 -8.007 1.00 4.20 N ATOM 1853 CA GLY B 47 -4.446 3.877 -7.282 1.00 4.08 C ATOM 1854 C GLY B 47 -5.043 5.235 -7.596 1.00 4.27 C ATOM 1855 O GLY B 47 -4.356 6.257 -7.533 1.00 4.50 O ATOM 0 H GLY B 47 -5.669 2.189 -7.427 1.00 4.20 H new ATOM 0 HA2 GLY B 47 -4.518 3.686 -6.211 1.00 4.08 H new ATOM 0 HA3 GLY B 47 -3.386 3.878 -7.535 1.00 4.08 H new ATOM 1859 N ALA B 48 -6.322 5.243 -7.945 1.00 4.37 N ATOM 1860 CA ALA B 48 -7.017 6.475 -8.281 1.00 4.85 C ATOM 1861 C ALA B 48 -7.568 7.134 -7.026 1.00 4.49 C ATOM 1862 O ALA B 48 -7.914 6.451 -6.061 1.00 3.88 O ATOM 1863 CB ALA B 48 -8.137 6.189 -9.270 1.00 5.41 C ATOM 0 H ALA B 48 -6.901 4.405 -8.003 1.00 4.37 H new ATOM 0 HA ALA B 48 -6.309 7.162 -8.745 1.00 4.85 H new ATOM 0 HB1 ALA B 48 -8.652 7.118 -9.515 1.00 5.41 H new ATOM 0 HB2 ALA B 48 -7.719 5.755 -10.178 1.00 5.41 H new ATOM 0 HB3 ALA B 48 -8.844 5.489 -8.826 1.00 5.41 H new ATOM 1869 N ARG B 49 -7.665 8.455 -7.050 1.00 5.02 N ATOM 1870 CA ARG B 49 -8.116 9.204 -5.887 1.00 4.98 C ATOM 1871 C ARG B 49 -9.572 8.898 -5.559 1.00 5.00 C ATOM 1872 O ARG B 49 -9.892 8.568 -4.424 1.00 4.59 O ATOM 1873 CB ARG B 49 -7.919 10.711 -6.094 1.00 5.73 C ATOM 1874 CG ARG B 49 -8.518 11.254 -7.383 1.00 6.40 C ATOM 1875 CD ARG B 49 -8.177 12.718 -7.584 1.00 6.81 C ATOM 1876 NE ARG B 49 -8.541 13.183 -8.919 1.00 7.23 N ATOM 1877 CZ ARG B 49 -7.666 13.656 -9.803 1.00 7.61 C ATOM 1878 NH1 ARG B 49 -6.374 13.710 -9.504 1.00 7.61 N ATOM 1879 NH2 ARG B 49 -8.084 14.073 -10.990 1.00 8.22 N ATOM 0 H ARG B 49 -7.438 9.030 -7.861 1.00 5.02 H new ATOM 0 HA ARG B 49 -7.506 8.890 -5.040 1.00 4.98 H new ATOM 0 HB2 ARG B 49 -8.361 11.242 -5.251 1.00 5.73 H new ATOM 0 HB3 ARG B 49 -6.851 10.930 -6.084 1.00 5.73 H new ATOM 0 HG2 ARG B 49 -8.149 10.674 -8.229 1.00 6.40 H new ATOM 0 HG3 ARG B 49 -9.601 11.132 -7.361 1.00 6.40 H new ATOM 0 HD2 ARG B 49 -8.696 13.318 -6.836 1.00 6.81 H new ATOM 0 HD3 ARG B 49 -7.109 12.867 -7.426 1.00 6.81 H new ATOM 0 HE ARG B 49 -9.524 13.143 -9.190 1.00 7.23 H new ATOM 0 HH11 ARG B 49 -6.047 13.388 -8.593 1.00 7.61 H new ATOM 0 HH12 ARG B 49 -5.708 14.073 -10.185 1.00 7.61 H new ATOM 0 HH21 ARG B 49 -9.076 14.031 -11.225 1.00 8.22 H new ATOM 0 HH22 ARG B 49 -7.414 14.436 -11.668 1.00 8.22 H new ATOM 1893 N HIS B 50 -10.442 8.981 -6.562 1.00 5.53 N ATOM 1894 CA HIS B 50 -11.871 8.754 -6.354 1.00 5.65 C ATOM 1895 C HIS B 50 -12.135 7.372 -5.761 1.00 4.90 C ATOM 1896 O HIS B 50 -12.942 7.232 -4.836 1.00 4.73 O ATOM 1897 CB HIS B 50 -12.681 8.961 -7.653 1.00 6.40 C ATOM 1898 CG HIS B 50 -12.006 8.495 -8.908 1.00 6.57 C ATOM 1899 ND1 HIS B 50 -12.118 7.218 -9.404 1.00 6.34 N ATOM 1900 CD2 HIS B 50 -11.212 9.162 -9.780 1.00 7.07 C ATOM 1901 CE1 HIS B 50 -11.426 7.118 -10.522 1.00 6.75 C ATOM 1902 NE2 HIS B 50 -10.865 8.282 -10.772 1.00 7.16 N ATOM 0 H HIS B 50 -10.185 9.203 -7.524 1.00 5.53 H new ATOM 0 HA HIS B 50 -12.210 9.499 -5.634 1.00 5.65 H new ATOM 0 HB2 HIS B 50 -13.633 8.438 -7.556 1.00 6.40 H new ATOM 0 HB3 HIS B 50 -12.909 10.022 -7.755 1.00 6.40 H new ATOM 0 HD1 HIS B 50 -12.654 6.464 -8.974 1.00 6.34 H new ATOM 0 HD2 HIS B 50 -10.909 10.196 -9.707 1.00 7.07 H new ATOM 0 HE1 HIS B 50 -11.335 6.230 -11.130 1.00 6.75 H new ATOM 1911 N GLU B 51 -11.429 6.366 -6.267 1.00 4.52 N ATOM 1912 CA GLU B 51 -11.555 5.011 -5.747 1.00 3.87 C ATOM 1913 C GLU B 51 -11.104 4.945 -4.296 1.00 3.13 C ATOM 1914 O GLU B 51 -11.851 4.511 -3.425 1.00 2.72 O ATOM 1915 CB GLU B 51 -10.737 4.023 -6.583 1.00 3.90 C ATOM 1916 CG GLU B 51 -11.544 3.298 -7.649 1.00 4.40 C ATOM 1917 CD GLU B 51 -12.045 4.217 -8.740 1.00 5.21 C ATOM 1918 OE1 GLU B 51 -13.034 4.948 -8.511 1.00 5.60 O ATOM 1919 OE2 GLU B 51 -11.445 4.231 -9.831 1.00 5.72 O ATOM 0 H GLU B 51 -10.765 6.464 -7.035 1.00 4.52 H new ATOM 0 HA GLU B 51 -12.608 4.734 -5.806 1.00 3.87 H new ATOM 0 HB2 GLU B 51 -9.919 4.560 -7.064 1.00 3.90 H new ATOM 0 HB3 GLU B 51 -10.287 3.286 -5.918 1.00 3.90 H new ATOM 0 HG2 GLU B 51 -10.928 2.517 -8.094 1.00 4.40 H new ATOM 0 HG3 GLU B 51 -12.394 2.804 -7.179 1.00 4.40 H new ATOM 1926 N LEU B 52 -9.884 5.407 -4.039 1.00 3.04 N ATOM 1927 CA LEU B 52 -9.282 5.274 -2.718 1.00 2.56 C ATOM 1928 C LEU B 52 -9.990 6.128 -1.671 1.00 3.06 C ATOM 1929 O LEU B 52 -9.984 5.787 -0.492 1.00 2.94 O ATOM 1930 CB LEU B 52 -7.791 5.612 -2.766 1.00 2.52 C ATOM 1931 CG LEU B 52 -6.960 4.699 -3.673 1.00 2.10 C ATOM 1932 CD1 LEU B 52 -5.489 5.062 -3.592 1.00 2.00 C ATOM 1933 CD2 LEU B 52 -7.169 3.235 -3.302 1.00 1.52 C ATOM 0 H LEU B 52 -9.295 5.876 -4.727 1.00 3.04 H new ATOM 0 HA LEU B 52 -9.399 4.233 -2.418 1.00 2.56 H new ATOM 0 HB2 LEU B 52 -7.676 6.642 -3.105 1.00 2.52 H new ATOM 0 HB3 LEU B 52 -7.388 5.562 -1.755 1.00 2.52 H new ATOM 0 HG LEU B 52 -7.295 4.843 -4.700 1.00 2.10 H new ATOM 0 HD11 LEU B 52 -4.915 4.403 -4.243 1.00 2.00 H new ATOM 0 HD12 LEU B 52 -5.351 6.095 -3.910 1.00 2.00 H new ATOM 0 HD13 LEU B 52 -5.142 4.949 -2.565 1.00 2.00 H new ATOM 0 HD21 LEU B 52 -6.570 2.604 -3.958 1.00 1.52 H new ATOM 0 HD22 LEU B 52 -6.865 3.075 -2.268 1.00 1.52 H new ATOM 0 HD23 LEU B 52 -8.222 2.978 -3.414 1.00 1.52 H new ATOM 1945 N ILE B 53 -10.600 7.228 -2.093 1.00 3.78 N ATOM 1946 CA ILE B 53 -11.382 8.047 -1.175 1.00 4.35 C ATOM 1947 C ILE B 53 -12.580 7.255 -0.656 1.00 4.05 C ATOM 1948 O ILE B 53 -12.810 7.182 0.551 1.00 4.19 O ATOM 1949 CB ILE B 53 -11.864 9.365 -1.831 1.00 5.19 C ATOM 1950 CG1 ILE B 53 -10.671 10.290 -2.097 1.00 5.56 C ATOM 1951 CG2 ILE B 53 -12.894 10.066 -0.950 1.00 5.75 C ATOM 1952 CD1 ILE B 53 -11.041 11.571 -2.815 1.00 6.40 C ATOM 0 H ILE B 53 -10.570 7.571 -3.053 1.00 3.78 H new ATOM 0 HA ILE B 53 -10.730 8.315 -0.343 1.00 4.35 H new ATOM 0 HB ILE B 53 -12.340 9.122 -2.781 1.00 5.19 H new ATOM 0 HG12 ILE B 53 -10.198 10.540 -1.147 1.00 5.56 H new ATOM 0 HG13 ILE B 53 -9.931 9.752 -2.690 1.00 5.56 H new ATOM 0 HG21 ILE B 53 -13.217 10.989 -1.432 1.00 5.75 H new ATOM 0 HG22 ILE B 53 -13.754 9.412 -0.805 1.00 5.75 H new ATOM 0 HG23 ILE B 53 -12.448 10.299 0.017 1.00 5.75 H new ATOM 0 HD11 ILE B 53 -10.146 12.174 -2.968 1.00 6.40 H new ATOM 0 HD12 ILE B 53 -11.487 11.331 -3.780 1.00 6.40 H new ATOM 0 HD13 ILE B 53 -11.757 12.131 -2.214 1.00 6.40 H new ATOM 1964 N ALA B 54 -13.328 6.645 -1.568 1.00 3.73 N ATOM 1965 CA ALA B 54 -14.460 5.810 -1.179 1.00 3.39 C ATOM 1966 C ALA B 54 -13.972 4.536 -0.482 1.00 2.66 C ATOM 1967 O ALA B 54 -14.588 4.047 0.471 1.00 2.59 O ATOM 1968 CB ALA B 54 -15.311 5.473 -2.393 1.00 3.40 C ATOM 0 H ALA B 54 -13.174 6.711 -2.574 1.00 3.73 H new ATOM 0 HA ALA B 54 -15.078 6.366 -0.474 1.00 3.39 H new ATOM 0 HB1 ALA B 54 -16.151 4.850 -2.087 1.00 3.40 H new ATOM 0 HB2 ALA B 54 -15.686 6.393 -2.841 1.00 3.40 H new ATOM 0 HB3 ALA B 54 -14.707 4.934 -3.123 1.00 3.40 H new ATOM 1974 N LEU B 55 -12.844 4.024 -0.958 1.00 2.23 N ATOM 1975 CA LEU B 55 -12.212 2.839 -0.390 1.00 1.71 C ATOM 1976 C LEU B 55 -11.779 3.113 1.053 1.00 2.33 C ATOM 1977 O LEU B 55 -11.720 2.207 1.880 1.00 2.46 O ATOM 1978 CB LEU B 55 -11.020 2.430 -1.278 1.00 1.30 C ATOM 1979 CG LEU B 55 -10.414 1.037 -1.041 1.00 1.02 C ATOM 1980 CD1 LEU B 55 -9.463 1.049 0.142 1.00 1.74 C ATOM 1981 CD2 LEU B 55 -11.511 0.000 -0.840 1.00 1.20 C ATOM 0 H LEU B 55 -12.340 4.420 -1.751 1.00 2.23 H new ATOM 0 HA LEU B 55 -12.921 2.012 -0.364 1.00 1.71 H new ATOM 0 HB2 LEU B 55 -11.339 2.487 -2.319 1.00 1.30 H new ATOM 0 HB3 LEU B 55 -10.230 3.169 -1.145 1.00 1.30 H new ATOM 0 HG LEU B 55 -9.842 0.764 -1.928 1.00 1.02 H new ATOM 0 HD11 LEU B 55 -9.049 0.051 0.286 1.00 1.74 H new ATOM 0 HD12 LEU B 55 -8.653 1.753 -0.049 1.00 1.74 H new ATOM 0 HD13 LEU B 55 -10.003 1.351 1.040 1.00 1.74 H new ATOM 0 HD21 LEU B 55 -11.061 -0.979 -0.674 1.00 1.20 H new ATOM 0 HD22 LEU B 55 -12.115 0.273 0.025 1.00 1.20 H new ATOM 0 HD23 LEU B 55 -12.143 -0.037 -1.727 1.00 1.20 H new ATOM 1993 N LEU B 56 -11.468 4.364 1.348 1.00 2.95 N ATOM 1994 CA LEU B 56 -11.174 4.775 2.712 1.00 3.69 C ATOM 1995 C LEU B 56 -12.464 4.967 3.508 1.00 4.03 C ATOM 1996 O LEU B 56 -12.509 4.710 4.709 1.00 4.45 O ATOM 1997 CB LEU B 56 -10.353 6.067 2.701 1.00 4.26 C ATOM 1998 CG LEU B 56 -10.248 6.800 4.042 1.00 5.04 C ATOM 1999 CD1 LEU B 56 -9.605 5.922 5.104 1.00 5.31 C ATOM 2000 CD2 LEU B 56 -9.465 8.090 3.873 1.00 5.56 C ATOM 0 H LEU B 56 -11.412 5.115 0.660 1.00 2.95 H new ATOM 0 HA LEU B 56 -10.592 3.991 3.196 1.00 3.69 H new ATOM 0 HB2 LEU B 56 -9.346 5.833 2.356 1.00 4.26 H new ATOM 0 HB3 LEU B 56 -10.790 6.747 1.970 1.00 4.26 H new ATOM 0 HG LEU B 56 -11.257 7.039 4.376 1.00 5.04 H new ATOM 0 HD11 LEU B 56 -9.545 6.472 6.043 1.00 5.31 H new ATOM 0 HD12 LEU B 56 -10.206 5.024 5.247 1.00 5.31 H new ATOM 0 HD13 LEU B 56 -8.602 5.640 4.784 1.00 5.31 H new ATOM 0 HD21 LEU B 56 -9.397 8.603 4.833 1.00 5.56 H new ATOM 0 HD22 LEU B 56 -8.462 7.862 3.511 1.00 5.56 H new ATOM 0 HD23 LEU B 56 -9.973 8.732 3.154 1.00 5.56 H new ATOM 2012 N ARG B 57 -13.518 5.395 2.830 1.00 3.93 N ATOM 2013 CA ARG B 57 -14.787 5.680 3.494 1.00 4.27 C ATOM 2014 C ARG B 57 -15.447 4.413 4.036 1.00 3.92 C ATOM 2015 O ARG B 57 -16.290 4.487 4.928 1.00 4.30 O ATOM 2016 CB ARG B 57 -15.735 6.429 2.555 1.00 4.32 C ATOM 2017 CG ARG B 57 -15.357 7.889 2.372 1.00 4.80 C ATOM 2018 CD ARG B 57 -16.299 8.605 1.419 1.00 5.19 C ATOM 2019 NE ARG B 57 -16.022 10.042 1.359 1.00 5.85 N ATOM 2020 CZ ARG B 57 -16.651 10.900 0.548 1.00 6.39 C ATOM 2021 NH1 ARG B 57 -17.561 10.470 -0.318 1.00 6.40 N ATOM 2022 NH2 ARG B 57 -16.367 12.193 0.607 1.00 7.19 N ATOM 0 H ARG B 57 -13.523 5.553 1.822 1.00 3.93 H new ATOM 0 HA ARG B 57 -14.568 6.320 4.348 1.00 4.27 H new ATOM 0 HB2 ARG B 57 -15.740 5.936 1.583 1.00 4.32 H new ATOM 0 HB3 ARG B 57 -16.750 6.368 2.948 1.00 4.32 H new ATOM 0 HG2 ARG B 57 -15.369 8.391 3.340 1.00 4.80 H new ATOM 0 HG3 ARG B 57 -14.338 7.955 1.992 1.00 4.80 H new ATOM 0 HD2 ARG B 57 -16.204 8.174 0.422 1.00 5.19 H new ATOM 0 HD3 ARG B 57 -17.329 8.446 1.738 1.00 5.19 H new ATOM 0 HE ARG B 57 -15.301 10.414 1.977 1.00 5.85 H new ATOM 0 HH11 ARG B 57 -17.787 9.477 -0.370 1.00 6.40 H new ATOM 0 HH12 ARG B 57 -18.034 11.133 -0.932 1.00 6.40 H new ATOM 0 HH21 ARG B 57 -15.670 12.532 1.270 1.00 7.19 H new ATOM 0 HH22 ARG B 57 -16.845 12.849 -0.010 1.00 7.19 H new ATOM 2036 N GLN B 58 -15.060 3.251 3.511 1.00 3.27 N ATOM 2037 CA GLN B 58 -15.552 1.981 4.055 1.00 3.16 C ATOM 2038 C GLN B 58 -14.896 1.674 5.402 1.00 3.92 C ATOM 2039 O GLN B 58 -15.390 0.851 6.172 1.00 4.23 O ATOM 2040 CB GLN B 58 -15.328 0.823 3.069 1.00 2.58 C ATOM 2041 CG GLN B 58 -13.870 0.541 2.742 1.00 2.73 C ATOM 2042 CD GLN B 58 -13.275 -0.624 3.517 1.00 2.46 C ATOM 2043 OE1 GLN B 58 -13.665 -0.917 4.646 1.00 2.60 O ATOM 2044 NE2 GLN B 58 -12.307 -1.294 2.912 1.00 2.44 N ATOM 0 H GLN B 58 -14.419 3.160 2.723 1.00 3.27 H new ATOM 0 HA GLN B 58 -16.626 2.085 4.210 1.00 3.16 H new ATOM 0 HB2 GLN B 58 -15.775 -0.081 3.483 1.00 2.58 H new ATOM 0 HB3 GLN B 58 -15.858 1.045 2.143 1.00 2.58 H new ATOM 0 HG2 GLN B 58 -13.781 0.337 1.675 1.00 2.73 H new ATOM 0 HG3 GLN B 58 -13.283 1.437 2.946 1.00 2.73 H new ATOM 0 HE21 GLN B 58 -12.008 -1.024 1.975 1.00 2.44 H new ATOM 0 HE22 GLN B 58 -11.860 -2.081 3.383 1.00 2.44 H new ATOM 2053 N LEU B 59 -13.780 2.340 5.682 1.00 4.30 N ATOM 2054 CA LEU B 59 -13.098 2.187 6.960 1.00 5.09 C ATOM 2055 C LEU B 59 -13.870 2.938 8.039 1.00 5.75 C ATOM 2056 O LEU B 59 -13.832 2.579 9.216 1.00 6.46 O ATOM 2057 CB LEU B 59 -11.648 2.695 6.848 1.00 5.21 C ATOM 2058 CG LEU B 59 -10.779 2.570 8.110 1.00 4.98 C ATOM 2059 CD1 LEU B 59 -9.319 2.403 7.726 1.00 5.21 C ATOM 2060 CD2 LEU B 59 -10.928 3.797 9.002 1.00 5.36 C ATOM 0 H LEU B 59 -13.329 2.991 5.039 1.00 4.30 H new ATOM 0 HA LEU B 59 -13.060 1.133 7.235 1.00 5.09 H new ATOM 0 HB2 LEU B 59 -11.157 2.152 6.040 1.00 5.21 H new ATOM 0 HB3 LEU B 59 -11.676 3.745 6.555 1.00 5.21 H new ATOM 0 HG LEU B 59 -11.116 1.693 8.662 1.00 4.98 H new ATOM 0 HD11 LEU B 59 -8.713 2.316 8.628 1.00 5.21 H new ATOM 0 HD12 LEU B 59 -9.202 1.503 7.122 1.00 5.21 H new ATOM 0 HD13 LEU B 59 -8.992 3.270 7.152 1.00 5.21 H new ATOM 0 HD21 LEU B 59 -10.302 3.682 9.887 1.00 5.36 H new ATOM 0 HD22 LEU B 59 -10.619 4.686 8.452 1.00 5.36 H new ATOM 0 HD23 LEU B 59 -11.970 3.902 9.305 1.00 5.36 H new