USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=13 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= -4.78! C(o=-5.4!,f=-4.8!) USER MOD Single : A 16 SER OG : rot 66:sc= 1.23 USER MOD Single : A 31 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.16) USER MOD Single : A 37 MET CE :methyl 145:sc= -2.36 (180deg=-2.57) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.247 K(o=0.25,f=-2.3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= 0.213 K(o=0.21,f=-3.7!) USER MOD Single : A 58 GLN : amide:sc= -0.457 K(o=-0.46,f=-2) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : B 13 HIS : no HE2:sc= -4.32! C(o=-4.3!,f=-3.9!) USER MOD Single : B 16 SER OG : rot 69:sc= 1.3 USER MOD Single : B 31 GLN :FLIP amide:sc= -0.0665 F(o=-0.62,f=-0.066) USER MOD Single : B 37 MET CE :methyl 174:sc= -2.59 (180deg=-2.71) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= -0.018 K(o=-0.018,f=-0.85) USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 50 HIS : no HE2:sc= 0.651 K(o=0.65,f=-5.2!) USER MOD Single : B 58 GLN : amide:sc= -0.434 K(o=-0.43,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 72 N ALA A 7 17.587 -3.131 9.304 1.00 2.47 N ATOM 73 CA ALA A 7 17.365 -2.408 8.056 1.00 2.28 C ATOM 74 C ALA A 7 17.839 -3.227 6.861 1.00 2.05 C ATOM 75 O ALA A 7 17.089 -3.439 5.911 1.00 1.85 O ATOM 76 CB ALA A 7 18.076 -1.063 8.094 1.00 2.50 C ATOM 0 HA ALA A 7 16.294 -2.237 7.945 1.00 2.28 H new ATOM 0 HB1 ALA A 7 17.903 -0.533 7.157 1.00 2.50 H new ATOM 0 HB2 ALA A 7 17.689 -0.470 8.923 1.00 2.50 H new ATOM 0 HB3 ALA A 7 19.146 -1.221 8.229 1.00 2.50 H new ATOM 82 N GLY A 8 19.080 -3.695 6.929 1.00 2.13 N ATOM 83 CA GLY A 8 19.626 -4.529 5.875 1.00 2.02 C ATOM 84 C GLY A 8 18.833 -5.805 5.685 1.00 1.90 C ATOM 85 O GLY A 8 18.610 -6.240 4.558 1.00 1.76 O ATOM 0 H GLY A 8 19.721 -3.510 7.700 1.00 2.13 H new ATOM 0 HA2 GLY A 8 19.638 -3.968 4.940 1.00 2.02 H new ATOM 0 HA3 GLY A 8 20.661 -4.778 6.111 1.00 2.02 H new ATOM 89 N ALA A 9 18.390 -6.393 6.789 1.00 2.01 N ATOM 90 CA ALA A 9 17.595 -7.612 6.744 1.00 1.97 C ATOM 91 C ALA A 9 16.235 -7.345 6.107 1.00 1.73 C ATOM 92 O ALA A 9 15.755 -8.125 5.282 1.00 1.64 O ATOM 93 CB ALA A 9 17.423 -8.179 8.144 1.00 2.19 C ATOM 0 H ALA A 9 18.569 -6.043 7.730 1.00 2.01 H new ATOM 0 HA ALA A 9 18.121 -8.345 6.132 1.00 1.97 H new ATOM 0 HB1 ALA A 9 16.827 -9.090 8.097 1.00 2.19 H new ATOM 0 HB2 ALA A 9 18.401 -8.407 8.567 1.00 2.19 H new ATOM 0 HB3 ALA A 9 16.917 -7.447 8.774 1.00 2.19 H new ATOM 99 N LEU A 10 15.626 -6.225 6.489 1.00 1.68 N ATOM 100 CA LEU A 10 14.335 -5.820 5.949 1.00 1.51 C ATOM 101 C LEU A 10 14.454 -5.529 4.466 1.00 1.33 C ATOM 102 O LEU A 10 13.656 -6.014 3.668 1.00 1.21 O ATOM 103 CB LEU A 10 13.817 -4.590 6.699 1.00 1.62 C ATOM 104 CG LEU A 10 12.565 -3.925 6.116 1.00 1.49 C ATOM 105 CD1 LEU A 10 11.366 -4.849 6.229 1.00 1.55 C ATOM 106 CD2 LEU A 10 12.289 -2.601 6.820 1.00 1.60 C ATOM 0 H LEU A 10 16.012 -5.578 7.177 1.00 1.68 H new ATOM 0 HA LEU A 10 13.624 -6.635 6.083 1.00 1.51 H new ATOM 0 HB2 LEU A 10 13.605 -4.879 7.728 1.00 1.62 H new ATOM 0 HB3 LEU A 10 14.615 -3.848 6.735 1.00 1.62 H new ATOM 0 HG LEU A 10 12.743 -3.724 5.059 1.00 1.49 H new ATOM 0 HD11 LEU A 10 10.488 -4.358 5.810 1.00 1.55 H new ATOM 0 HD12 LEU A 10 11.564 -5.770 5.681 1.00 1.55 H new ATOM 0 HD13 LEU A 10 11.185 -5.083 7.278 1.00 1.55 H new ATOM 0 HD21 LEU A 10 11.397 -2.142 6.394 1.00 1.60 H new ATOM 0 HD22 LEU A 10 12.133 -2.780 7.884 1.00 1.60 H new ATOM 0 HD23 LEU A 10 13.140 -1.933 6.686 1.00 1.60 H new ATOM 118 N LEU A 11 15.475 -4.768 4.113 1.00 1.38 N ATOM 119 CA LEU A 11 15.751 -4.433 2.727 1.00 1.31 C ATOM 120 C LEU A 11 15.979 -5.706 1.916 1.00 1.29 C ATOM 121 O LEU A 11 15.407 -5.879 0.842 1.00 1.22 O ATOM 122 CB LEU A 11 16.973 -3.494 2.670 1.00 1.44 C ATOM 123 CG LEU A 11 17.352 -2.919 1.297 1.00 1.48 C ATOM 124 CD1 LEU A 11 18.162 -3.925 0.490 1.00 1.71 C ATOM 125 CD2 LEU A 11 16.112 -2.481 0.531 1.00 1.43 C ATOM 0 H LEU A 11 16.135 -4.365 4.778 1.00 1.38 H new ATOM 0 HA LEU A 11 14.898 -3.916 2.289 1.00 1.31 H new ATOM 0 HB2 LEU A 11 16.790 -2.660 3.347 1.00 1.44 H new ATOM 0 HB3 LEU A 11 17.835 -4.037 3.059 1.00 1.44 H new ATOM 0 HG LEU A 11 17.975 -2.040 1.461 1.00 1.48 H new ATOM 0 HD11 LEU A 11 18.418 -3.494 -0.478 1.00 1.71 H new ATOM 0 HD12 LEU A 11 19.076 -4.173 1.030 1.00 1.71 H new ATOM 0 HD13 LEU A 11 17.573 -4.830 0.340 1.00 1.71 H new ATOM 0 HD21 LEU A 11 16.406 -2.077 -0.438 1.00 1.43 H new ATOM 0 HD22 LEU A 11 15.455 -3.338 0.383 1.00 1.43 H new ATOM 0 HD23 LEU A 11 15.586 -1.714 1.099 1.00 1.43 H new ATOM 137 N ALA A 12 16.792 -6.610 2.457 1.00 1.43 N ATOM 138 CA ALA A 12 17.114 -7.860 1.779 1.00 1.53 C ATOM 139 C ALA A 12 15.864 -8.693 1.509 1.00 1.49 C ATOM 140 O ALA A 12 15.624 -9.113 0.379 1.00 1.51 O ATOM 141 CB ALA A 12 18.115 -8.668 2.596 1.00 1.75 C ATOM 0 H ALA A 12 17.241 -6.498 3.366 1.00 1.43 H new ATOM 0 HA ALA A 12 17.561 -7.605 0.818 1.00 1.53 H new ATOM 0 HB1 ALA A 12 18.344 -9.598 2.075 1.00 1.75 H new ATOM 0 HB2 ALA A 12 19.030 -8.090 2.725 1.00 1.75 H new ATOM 0 HB3 ALA A 12 17.688 -8.895 3.573 1.00 1.75 H new ATOM 147 N HIS A 13 15.048 -8.914 2.537 1.00 1.46 N ATOM 148 CA HIS A 13 13.909 -9.809 2.401 1.00 1.48 C ATOM 149 C HIS A 13 12.770 -9.132 1.641 1.00 1.27 C ATOM 150 O HIS A 13 11.982 -9.796 0.973 1.00 1.32 O ATOM 151 CB HIS A 13 13.457 -10.347 3.774 1.00 1.57 C ATOM 152 CG HIS A 13 12.470 -9.505 4.514 1.00 1.44 C ATOM 153 ND1 HIS A 13 12.650 -8.534 5.429 1.00 1.26 N flip ATOM 154 CD2 HIS A 13 11.113 -9.660 4.386 1.00 1.78 C flip ATOM 155 CE1 HIS A 13 11.411 -8.117 5.840 1.00 1.21 C flip ATOM 156 NE2 HIS A 13 10.501 -8.815 5.185 1.00 1.66 N flip ATOM 0 H HIS A 13 15.154 -8.491 3.459 1.00 1.46 H new ATOM 0 HA HIS A 13 14.220 -10.671 1.811 1.00 1.48 H new ATOM 0 HB2 HIS A 13 13.024 -11.337 3.630 1.00 1.57 H new ATOM 0 HB3 HIS A 13 14.340 -10.473 4.401 1.00 1.57 H new ATOM 0 HD2 HIS A 13 10.624 -10.366 3.731 1.00 1.78 H new ATOM 0 HE1 HIS A 13 11.213 -7.349 6.573 1.00 1.21 H new ATOM 0 HE2 HIS A 13 9.491 -8.715 5.283 1.00 1.66 H new ATOM 165 N ALA A 14 12.694 -7.808 1.727 1.00 1.09 N ATOM 166 CA ALA A 14 11.680 -7.063 0.990 1.00 0.94 C ATOM 167 C ALA A 14 12.002 -7.054 -0.500 1.00 1.00 C ATOM 168 O ALA A 14 11.120 -7.254 -1.331 1.00 1.04 O ATOM 169 CB ALA A 14 11.566 -5.642 1.516 1.00 0.84 C ATOM 0 H ALA A 14 13.317 -7.233 2.295 1.00 1.09 H new ATOM 0 HA ALA A 14 10.720 -7.559 1.135 1.00 0.94 H new ATOM 0 HB1 ALA A 14 10.804 -5.105 0.951 1.00 0.84 H new ATOM 0 HB2 ALA A 14 11.288 -5.665 2.570 1.00 0.84 H new ATOM 0 HB3 ALA A 14 12.524 -5.135 1.405 1.00 0.84 H new ATOM 175 N ALA A 15 13.274 -6.839 -0.824 1.00 1.08 N ATOM 176 CA ALA A 15 13.732 -6.846 -2.209 1.00 1.19 C ATOM 177 C ALA A 15 13.538 -8.216 -2.833 1.00 1.37 C ATOM 178 O ALA A 15 13.148 -8.337 -3.995 1.00 1.46 O ATOM 179 CB ALA A 15 15.199 -6.453 -2.285 1.00 1.27 C ATOM 0 H ALA A 15 14.009 -6.657 -0.141 1.00 1.08 H new ATOM 0 HA ALA A 15 13.138 -6.120 -2.764 1.00 1.19 H new ATOM 0 HB1 ALA A 15 15.525 -6.463 -3.325 1.00 1.27 H new ATOM 0 HB2 ALA A 15 15.329 -5.452 -1.874 1.00 1.27 H new ATOM 0 HB3 ALA A 15 15.796 -7.162 -1.711 1.00 1.27 H new ATOM 185 N SER A 16 13.791 -9.245 -2.039 1.00 1.47 N ATOM 186 CA SER A 16 13.692 -10.619 -2.501 1.00 1.68 C ATOM 187 C SER A 16 12.251 -10.968 -2.862 1.00 1.68 C ATOM 188 O SER A 16 12.004 -11.749 -3.784 1.00 1.89 O ATOM 189 CB SER A 16 14.225 -11.566 -1.427 1.00 1.83 C ATOM 190 OG SER A 16 15.582 -11.275 -1.120 1.00 2.28 O ATOM 0 H SER A 16 14.069 -9.151 -1.062 1.00 1.47 H new ATOM 0 HA SER A 16 14.297 -10.730 -3.401 1.00 1.68 H new ATOM 0 HB2 SER A 16 13.618 -11.479 -0.526 1.00 1.83 H new ATOM 0 HB3 SER A 16 14.139 -12.597 -1.771 1.00 1.83 H new ATOM 0 HG SER A 16 15.640 -10.391 -0.701 1.00 2.28 H new ATOM 196 N LEU A 17 11.301 -10.384 -2.139 1.00 1.47 N ATOM 197 CA LEU A 17 9.891 -10.578 -2.448 1.00 1.48 C ATOM 198 C LEU A 17 9.449 -9.578 -3.509 1.00 1.43 C ATOM 199 O LEU A 17 8.523 -9.834 -4.277 1.00 1.55 O ATOM 200 CB LEU A 17 9.039 -10.397 -1.192 1.00 1.34 C ATOM 201 CG LEU A 17 9.389 -11.313 -0.022 1.00 1.42 C ATOM 202 CD1 LEU A 17 8.521 -10.980 1.181 1.00 1.31 C ATOM 203 CD2 LEU A 17 9.216 -12.771 -0.415 1.00 1.65 C ATOM 0 H LEU A 17 11.481 -9.776 -1.340 1.00 1.47 H new ATOM 0 HA LEU A 17 9.756 -11.592 -2.825 1.00 1.48 H new ATOM 0 HB2 LEU A 17 9.128 -9.363 -0.860 1.00 1.34 H new ATOM 0 HB3 LEU A 17 7.994 -10.558 -1.457 1.00 1.34 H new ATOM 0 HG LEU A 17 10.434 -11.153 0.245 1.00 1.42 H new ATOM 0 HD11 LEU A 17 8.779 -11.639 2.010 1.00 1.31 H new ATOM 0 HD12 LEU A 17 8.689 -9.944 1.476 1.00 1.31 H new ATOM 0 HD13 LEU A 17 7.471 -11.117 0.921 1.00 1.31 H new ATOM 0 HD21 LEU A 17 9.470 -13.409 0.432 1.00 1.65 H new ATOM 0 HD22 LEU A 17 8.181 -12.949 -0.706 1.00 1.65 H new ATOM 0 HD23 LEU A 17 9.873 -13.002 -1.253 1.00 1.65 H new ATOM 215 N GLY A 18 10.144 -8.452 -3.554 1.00 1.28 N ATOM 216 CA GLY A 18 9.828 -7.403 -4.497 1.00 1.27 C ATOM 217 C GLY A 18 8.629 -6.587 -4.073 1.00 1.15 C ATOM 218 O GLY A 18 7.828 -6.171 -4.910 1.00 1.27 O ATOM 0 H GLY A 18 10.934 -8.245 -2.943 1.00 1.28 H new ATOM 0 HA2 GLY A 18 10.690 -6.746 -4.607 1.00 1.27 H new ATOM 0 HA3 GLY A 18 9.636 -7.844 -5.475 1.00 1.27 H new ATOM 222 N VAL A 19 8.490 -6.376 -2.773 1.00 0.99 N ATOM 223 CA VAL A 19 7.493 -5.448 -2.263 1.00 0.89 C ATOM 224 C VAL A 19 7.917 -4.038 -2.637 1.00 0.86 C ATOM 225 O VAL A 19 8.885 -3.522 -2.092 1.00 0.84 O ATOM 226 CB VAL A 19 7.340 -5.544 -0.731 1.00 0.76 C ATOM 227 CG1 VAL A 19 6.321 -4.533 -0.230 1.00 0.74 C ATOM 228 CG2 VAL A 19 6.943 -6.948 -0.310 1.00 0.87 C ATOM 0 H VAL A 19 9.052 -6.833 -2.055 1.00 0.99 H new ATOM 0 HA VAL A 19 6.529 -5.702 -2.704 1.00 0.89 H new ATOM 0 HB VAL A 19 8.307 -5.315 -0.282 1.00 0.76 H new ATOM 0 HG11 VAL A 19 6.228 -4.617 0.853 1.00 0.74 H new ATOM 0 HG12 VAL A 19 6.649 -3.526 -0.489 1.00 0.74 H new ATOM 0 HG13 VAL A 19 5.355 -4.730 -0.694 1.00 0.74 H new ATOM 0 HG21 VAL A 19 6.842 -6.988 0.775 1.00 0.87 H new ATOM 0 HG22 VAL A 19 5.992 -7.211 -0.773 1.00 0.87 H new ATOM 0 HG23 VAL A 19 7.710 -7.654 -0.629 1.00 0.87 H new ATOM 238 N ARG A 20 7.214 -3.424 -3.570 1.00 0.95 N ATOM 239 CA ARG A 20 7.669 -2.168 -4.138 1.00 1.00 C ATOM 240 C ARG A 20 6.763 -1.019 -3.749 1.00 1.04 C ATOM 241 O ARG A 20 5.539 -1.127 -3.804 1.00 1.14 O ATOM 242 CB ARG A 20 7.763 -2.264 -5.663 1.00 1.23 C ATOM 243 CG ARG A 20 8.753 -3.308 -6.144 1.00 1.42 C ATOM 244 CD ARG A 20 8.902 -3.284 -7.654 1.00 1.62 C ATOM 245 NE ARG A 20 9.838 -4.306 -8.109 1.00 1.83 N ATOM 246 CZ ARG A 20 10.884 -4.069 -8.897 1.00 2.15 C ATOM 247 NH1 ARG A 20 11.061 -2.872 -9.445 1.00 2.44 N ATOM 248 NH2 ARG A 20 11.738 -5.046 -9.165 1.00 2.67 N ATOM 0 H ARG A 20 6.333 -3.771 -3.949 1.00 0.95 H new ATOM 0 HA ARG A 20 8.661 -1.971 -3.732 1.00 1.00 H new ATOM 0 HB2 ARG A 20 6.777 -2.497 -6.066 1.00 1.23 H new ATOM 0 HB3 ARG A 20 8.049 -1.291 -6.063 1.00 1.23 H new ATOM 0 HG2 ARG A 20 9.723 -3.131 -5.679 1.00 1.42 H new ATOM 0 HG3 ARG A 20 8.423 -4.297 -5.826 1.00 1.42 H new ATOM 0 HD2 ARG A 20 7.930 -3.444 -8.120 1.00 1.62 H new ATOM 0 HD3 ARG A 20 9.250 -2.301 -7.972 1.00 1.62 H new ATOM 0 HE ARG A 20 9.680 -5.266 -7.803 1.00 1.83 H new ATOM 0 HH11 ARG A 20 10.392 -2.124 -9.263 1.00 2.44 H new ATOM 0 HH12 ARG A 20 11.866 -2.701 -10.047 1.00 2.44 H new ATOM 0 HH21 ARG A 20 11.592 -5.974 -8.768 1.00 2.67 H new ATOM 0 HH22 ARG A 20 12.541 -4.870 -9.768 1.00 2.67 H new ATOM 262 N LEU A 21 7.389 0.066 -3.334 1.00 1.06 N ATOM 263 CA LEU A 21 6.698 1.307 -3.075 1.00 1.22 C ATOM 264 C LEU A 21 7.409 2.441 -3.772 1.00 1.41 C ATOM 265 O LEU A 21 8.637 2.495 -3.791 1.00 1.45 O ATOM 266 CB LEU A 21 6.570 1.591 -1.576 1.00 1.18 C ATOM 267 CG LEU A 21 5.598 0.682 -0.818 1.00 1.09 C ATOM 268 CD1 LEU A 21 6.277 -0.601 -0.365 1.00 0.89 C ATOM 269 CD2 LEU A 21 4.998 1.419 0.366 1.00 1.23 C ATOM 0 H LEU A 21 8.394 0.108 -3.168 1.00 1.06 H new ATOM 0 HA LEU A 21 5.686 1.217 -3.470 1.00 1.22 H new ATOM 0 HB2 LEU A 21 7.556 1.501 -1.120 1.00 1.18 H new ATOM 0 HB3 LEU A 21 6.252 2.625 -1.445 1.00 1.18 H new ATOM 0 HG LEU A 21 4.794 0.406 -1.501 1.00 1.09 H new ATOM 0 HD11 LEU A 21 5.559 -1.223 0.170 1.00 0.89 H new ATOM 0 HD12 LEU A 21 6.649 -1.142 -1.235 1.00 0.89 H new ATOM 0 HD13 LEU A 21 7.110 -0.358 0.295 1.00 0.89 H new ATOM 0 HD21 LEU A 21 4.309 0.759 0.894 1.00 1.23 H new ATOM 0 HD22 LEU A 21 5.794 1.730 1.043 1.00 1.23 H new ATOM 0 HD23 LEU A 21 4.459 2.298 0.012 1.00 1.23 H new ATOM 281 N TRP A 22 6.627 3.308 -4.390 1.00 1.61 N ATOM 282 CA TRP A 22 7.151 4.486 -5.051 1.00 1.82 C ATOM 283 C TRP A 22 6.045 5.522 -5.181 1.00 2.04 C ATOM 284 O TRP A 22 4.904 5.178 -5.464 1.00 2.09 O ATOM 285 CB TRP A 22 7.736 4.136 -6.433 1.00 1.87 C ATOM 286 CG TRP A 22 6.718 3.710 -7.454 1.00 1.96 C ATOM 287 CD1 TRP A 22 6.203 4.477 -8.462 1.00 2.19 C ATOM 288 CD2 TRP A 22 6.100 2.422 -7.577 1.00 1.86 C ATOM 289 NE1 TRP A 22 5.294 3.753 -9.191 1.00 2.26 N ATOM 290 CE2 TRP A 22 5.213 2.488 -8.669 1.00 2.06 C ATOM 291 CE3 TRP A 22 6.202 1.224 -6.866 1.00 1.64 C ATOM 292 CZ2 TRP A 22 4.441 1.398 -9.065 1.00 2.08 C ATOM 293 CZ3 TRP A 22 5.437 0.145 -7.260 1.00 1.66 C ATOM 294 CH2 TRP A 22 4.565 0.239 -8.351 1.00 1.88 C ATOM 0 H TRP A 22 5.613 3.214 -4.447 1.00 1.61 H new ATOM 0 HA TRP A 22 7.962 4.897 -4.449 1.00 1.82 H new ATOM 0 HB2 TRP A 22 8.274 5.003 -6.816 1.00 1.87 H new ATOM 0 HB3 TRP A 22 8.466 3.336 -6.312 1.00 1.87 H new ATOM 0 HD1 TRP A 22 6.473 5.505 -8.656 1.00 2.19 H new ATOM 0 HE1 TRP A 22 4.765 4.099 -9.991 1.00 2.26 H new ATOM 0 HE3 TRP A 22 6.869 1.143 -6.021 1.00 1.64 H new ATOM 0 HZ2 TRP A 22 3.768 1.466 -9.907 1.00 2.08 H new ATOM 0 HZ3 TRP A 22 5.512 -0.786 -6.718 1.00 1.66 H new ATOM 0 HH2 TRP A 22 3.978 -0.622 -8.634 1.00 1.88 H new ATOM 305 N VAL A 23 6.366 6.776 -4.929 1.00 2.21 N ATOM 306 CA VAL A 23 5.389 7.838 -5.106 1.00 2.44 C ATOM 307 C VAL A 23 5.389 8.297 -6.556 1.00 2.71 C ATOM 308 O VAL A 23 6.421 8.701 -7.096 1.00 2.81 O ATOM 309 CB VAL A 23 5.641 9.031 -4.148 1.00 2.66 C ATOM 310 CG1 VAL A 23 7.060 9.563 -4.287 1.00 2.85 C ATOM 311 CG2 VAL A 23 4.623 10.136 -4.382 1.00 2.92 C ATOM 0 H VAL A 23 7.283 7.084 -4.605 1.00 2.21 H new ATOM 0 HA VAL A 23 4.407 7.437 -4.854 1.00 2.44 H new ATOM 0 HB VAL A 23 5.522 8.668 -3.127 1.00 2.66 H new ATOM 0 HG11 VAL A 23 7.204 10.399 -3.602 1.00 2.85 H new ATOM 0 HG12 VAL A 23 7.770 8.771 -4.048 1.00 2.85 H new ATOM 0 HG13 VAL A 23 7.223 9.901 -5.310 1.00 2.85 H new ATOM 0 HG21 VAL A 23 4.819 10.962 -3.699 1.00 2.92 H new ATOM 0 HG22 VAL A 23 4.699 10.489 -5.410 1.00 2.92 H new ATOM 0 HG23 VAL A 23 3.619 9.750 -4.205 1.00 2.92 H new ATOM 321 N GLU A 24 4.236 8.198 -7.189 1.00 2.84 N ATOM 322 CA GLU A 24 4.122 8.501 -8.601 1.00 3.15 C ATOM 323 C GLU A 24 3.213 9.703 -8.799 1.00 3.47 C ATOM 324 O GLU A 24 1.983 9.598 -8.694 1.00 3.45 O ATOM 325 CB GLU A 24 3.586 7.282 -9.350 1.00 3.09 C ATOM 326 CG GLU A 24 3.764 7.350 -10.851 1.00 3.44 C ATOM 327 CD GLU A 24 3.264 6.101 -11.542 1.00 3.75 C ATOM 328 OE1 GLU A 24 3.686 4.988 -11.157 1.00 4.20 O ATOM 329 OE2 GLU A 24 2.454 6.224 -12.483 1.00 4.16 O ATOM 0 H GLU A 24 3.364 7.909 -6.746 1.00 2.84 H new ATOM 0 HA GLU A 24 5.106 8.745 -9.001 1.00 3.15 H new ATOM 0 HB2 GLU A 24 4.088 6.390 -8.976 1.00 3.09 H new ATOM 0 HB3 GLU A 24 2.525 7.169 -9.126 1.00 3.09 H new ATOM 0 HG2 GLU A 24 3.230 8.217 -11.240 1.00 3.44 H new ATOM 0 HG3 GLU A 24 4.819 7.495 -11.084 1.00 3.44 H new ATOM 336 N GLY A 25 3.830 10.850 -9.049 1.00 3.78 N ATOM 337 CA GLY A 25 3.083 12.076 -9.237 1.00 4.13 C ATOM 338 C GLY A 25 2.467 12.567 -7.944 1.00 4.12 C ATOM 339 O GLY A 25 3.094 13.305 -7.182 1.00 4.20 O ATOM 0 H GLY A 25 4.842 10.952 -9.125 1.00 3.78 H new ATOM 0 HA2 GLY A 25 3.743 12.845 -9.639 1.00 4.13 H new ATOM 0 HA3 GLY A 25 2.297 11.913 -9.974 1.00 4.13 H new ATOM 343 N GLU A 26 1.247 12.127 -7.683 1.00 4.08 N ATOM 344 CA GLU A 26 0.505 12.584 -6.521 1.00 4.12 C ATOM 345 C GLU A 26 0.332 11.464 -5.496 1.00 3.62 C ATOM 346 O GLU A 26 0.249 11.722 -4.296 1.00 3.64 O ATOM 347 CB GLU A 26 -0.866 13.112 -6.955 1.00 4.51 C ATOM 348 CG GLU A 26 -1.683 13.715 -5.822 1.00 5.05 C ATOM 349 CD GLU A 26 -1.058 14.974 -5.258 1.00 4.66 C ATOM 350 OE1 GLU A 26 -0.173 14.869 -4.387 1.00 5.15 O ATOM 351 OE2 GLU A 26 -1.454 16.079 -5.683 1.00 4.88 O ATOM 0 H GLU A 26 0.749 11.452 -8.263 1.00 4.08 H new ATOM 0 HA GLU A 26 1.073 13.386 -6.050 1.00 4.12 H new ATOM 0 HB2 GLU A 26 -0.725 13.866 -7.729 1.00 4.51 H new ATOM 0 HB3 GLU A 26 -1.433 12.296 -7.404 1.00 4.51 H new ATOM 0 HG2 GLU A 26 -2.686 13.942 -6.183 1.00 5.05 H new ATOM 0 HG3 GLU A 26 -1.791 12.979 -5.025 1.00 5.05 H new ATOM 358 N ARG A 27 0.299 10.221 -5.948 1.00 3.25 N ATOM 359 CA ARG A 27 -0.084 9.136 -5.060 1.00 2.79 C ATOM 360 C ARG A 27 1.042 8.135 -4.855 1.00 2.64 C ATOM 361 O ARG A 27 1.809 7.836 -5.770 1.00 2.74 O ATOM 362 CB ARG A 27 -1.328 8.422 -5.592 1.00 2.61 C ATOM 363 CG ARG A 27 -1.958 7.471 -4.585 1.00 2.49 C ATOM 364 CD ARG A 27 -2.342 8.206 -3.305 1.00 3.08 C ATOM 365 NE ARG A 27 -3.307 9.284 -3.547 1.00 3.76 N ATOM 366 CZ ARG A 27 -3.334 10.431 -2.862 1.00 4.65 C ATOM 367 NH1 ARG A 27 -2.397 10.685 -1.950 1.00 5.01 N ATOM 368 NH2 ARG A 27 -4.281 11.331 -3.106 1.00 5.38 N ATOM 0 H ARG A 27 0.527 9.942 -6.902 1.00 3.25 H new ATOM 0 HA ARG A 27 -0.309 9.581 -4.091 1.00 2.79 H new ATOM 0 HB2 ARG A 27 -2.067 9.167 -5.888 1.00 2.61 H new ATOM 0 HB3 ARG A 27 -1.061 7.864 -6.490 1.00 2.61 H new ATOM 0 HG2 ARG A 27 -2.843 7.007 -5.022 1.00 2.49 H new ATOM 0 HG3 ARG A 27 -1.259 6.668 -4.352 1.00 2.49 H new ATOM 0 HD2 ARG A 27 -2.765 7.496 -2.595 1.00 3.08 H new ATOM 0 HD3 ARG A 27 -1.445 8.621 -2.845 1.00 3.08 H new ATOM 0 HE ARG A 27 -4.000 9.150 -4.283 1.00 3.76 H new ATOM 0 HH11 ARG A 27 -1.658 10.004 -1.774 1.00 5.01 H new ATOM 0 HH12 ARG A 27 -2.418 11.561 -1.427 1.00 5.01 H new ATOM 0 HH21 ARG A 27 -4.989 11.147 -3.817 1.00 5.38 H new ATOM 0 HH22 ARG A 27 -4.300 12.206 -2.582 1.00 5.38 H new ATOM 382 N LEU A 28 1.133 7.641 -3.626 1.00 2.44 N ATOM 383 CA LEU A 28 2.039 6.560 -3.291 1.00 2.27 C ATOM 384 C LEU A 28 1.537 5.284 -3.953 1.00 2.10 C ATOM 385 O LEU A 28 0.383 4.898 -3.775 1.00 2.02 O ATOM 386 CB LEU A 28 2.114 6.403 -1.759 1.00 2.25 C ATOM 387 CG LEU A 28 3.190 5.450 -1.206 1.00 2.00 C ATOM 388 CD1 LEU A 28 2.797 3.991 -1.393 1.00 2.23 C ATOM 389 CD2 LEU A 28 4.537 5.727 -1.856 1.00 2.15 C ATOM 0 H LEU A 28 0.581 7.980 -2.839 1.00 2.44 H new ATOM 0 HA LEU A 28 3.044 6.775 -3.654 1.00 2.27 H new ATOM 0 HB2 LEU A 28 2.279 7.389 -1.325 1.00 2.25 H new ATOM 0 HB3 LEU A 28 1.142 6.058 -1.406 1.00 2.25 H new ATOM 0 HG LEU A 28 3.274 5.635 -0.135 1.00 2.00 H new ATOM 0 HD11 LEU A 28 3.580 3.349 -0.991 1.00 2.23 H new ATOM 0 HD12 LEU A 28 1.862 3.796 -0.867 1.00 2.23 H new ATOM 0 HD13 LEU A 28 2.667 3.783 -2.455 1.00 2.23 H new ATOM 0 HD21 LEU A 28 5.284 5.043 -1.452 1.00 2.15 H new ATOM 0 HD22 LEU A 28 4.458 5.582 -2.933 1.00 2.15 H new ATOM 0 HD23 LEU A 28 4.836 6.755 -1.649 1.00 2.15 H new ATOM 401 N ARG A 29 2.395 4.662 -4.739 1.00 2.11 N ATOM 402 CA ARG A 29 2.038 3.459 -5.466 1.00 2.02 C ATOM 403 C ARG A 29 2.599 2.247 -4.750 1.00 1.76 C ATOM 404 O ARG A 29 3.749 2.258 -4.306 1.00 1.70 O ATOM 405 CB ARG A 29 2.595 3.523 -6.884 1.00 2.24 C ATOM 406 CG ARG A 29 2.364 4.860 -7.561 1.00 2.78 C ATOM 407 CD ARG A 29 0.946 5.003 -8.075 1.00 2.72 C ATOM 408 NE ARG A 29 0.721 4.173 -9.259 1.00 3.29 N ATOM 409 CZ ARG A 29 -0.378 4.213 -10.009 1.00 3.54 C ATOM 410 NH1 ARG A 29 -1.396 4.995 -9.669 1.00 3.42 N ATOM 411 NH2 ARG A 29 -0.448 3.473 -11.105 1.00 4.22 N ATOM 0 H ARG A 29 3.354 4.974 -4.891 1.00 2.11 H new ATOM 0 HA ARG A 29 0.952 3.380 -5.515 1.00 2.02 H new ATOM 0 HB2 ARG A 29 3.665 3.318 -6.856 1.00 2.24 H new ATOM 0 HB3 ARG A 29 2.136 2.737 -7.483 1.00 2.24 H new ATOM 0 HG2 ARG A 29 2.576 5.664 -6.856 1.00 2.78 H new ATOM 0 HG3 ARG A 29 3.062 4.971 -8.390 1.00 2.78 H new ATOM 0 HD2 ARG A 29 0.243 4.720 -7.291 1.00 2.72 H new ATOM 0 HD3 ARG A 29 0.749 6.047 -8.318 1.00 2.72 H new ATOM 0 HE ARG A 29 1.456 3.519 -9.528 1.00 3.29 H new ATOM 0 HH11 ARG A 29 -1.339 5.570 -8.828 1.00 3.42 H new ATOM 0 HH12 ARG A 29 -2.235 5.021 -10.248 1.00 3.42 H new ATOM 0 HH21 ARG A 29 0.337 2.878 -11.369 1.00 4.22 H new ATOM 0 HH22 ARG A 29 -1.287 3.498 -11.685 1.00 4.22 H new ATOM 425 N PHE A 30 1.788 1.214 -4.640 1.00 1.65 N ATOM 426 CA PHE A 30 2.174 0.015 -3.920 1.00 1.43 C ATOM 427 C PHE A 30 2.121 -1.182 -4.859 1.00 1.49 C ATOM 428 O PHE A 30 1.181 -1.318 -5.643 1.00 1.69 O ATOM 429 CB PHE A 30 1.219 -0.200 -2.746 1.00 1.35 C ATOM 430 CG PHE A 30 1.845 -0.820 -1.522 1.00 1.14 C ATOM 431 CD1 PHE A 30 2.525 -2.027 -1.593 1.00 1.50 C ATOM 432 CD2 PHE A 30 1.733 -0.196 -0.288 1.00 1.69 C ATOM 433 CE1 PHE A 30 3.077 -2.594 -0.462 1.00 1.47 C ATOM 434 CE2 PHE A 30 2.286 -0.758 0.844 1.00 1.62 C ATOM 435 CZ PHE A 30 2.958 -1.959 0.757 1.00 0.99 C ATOM 0 H PHE A 30 0.851 1.180 -5.043 1.00 1.65 H new ATOM 0 HA PHE A 30 3.190 0.125 -3.541 1.00 1.43 H new ATOM 0 HB2 PHE A 30 0.787 0.761 -2.468 1.00 1.35 H new ATOM 0 HB3 PHE A 30 0.397 -0.835 -3.077 1.00 1.35 H new ATOM 0 HD1 PHE A 30 2.624 -2.529 -2.544 1.00 1.50 H new ATOM 0 HD2 PHE A 30 1.205 0.743 -0.212 1.00 1.69 H new ATOM 0 HE1 PHE A 30 3.602 -3.535 -0.531 1.00 1.47 H new ATOM 0 HE2 PHE A 30 2.193 -0.258 1.797 1.00 1.62 H new ATOM 0 HZ PHE A 30 3.391 -2.402 1.642 1.00 0.99 H new ATOM 445 N GLN A 31 3.138 -2.022 -4.801 1.00 1.37 N ATOM 446 CA GLN A 31 3.146 -3.259 -5.560 1.00 1.46 C ATOM 447 C GLN A 31 3.538 -4.416 -4.657 1.00 1.31 C ATOM 448 O GLN A 31 4.699 -4.547 -4.261 1.00 1.14 O ATOM 449 CB GLN A 31 4.103 -3.167 -6.748 1.00 1.58 C ATOM 450 CG GLN A 31 4.092 -4.403 -7.636 1.00 1.74 C ATOM 451 CD GLN A 31 2.721 -4.699 -8.218 1.00 2.14 C ATOM 452 OE1 GLN A 31 2.362 -4.204 -9.287 1.00 2.68 O ATOM 453 NE2 GLN A 31 1.949 -5.528 -7.528 1.00 2.52 N ATOM 0 H GLN A 31 3.972 -1.869 -4.234 1.00 1.37 H new ATOM 0 HA GLN A 31 2.142 -3.431 -5.948 1.00 1.46 H new ATOM 0 HB2 GLN A 31 3.841 -2.296 -7.349 1.00 1.58 H new ATOM 0 HB3 GLN A 31 5.115 -3.005 -6.377 1.00 1.58 H new ATOM 0 HG2 GLN A 31 4.805 -4.267 -8.449 1.00 1.74 H new ATOM 0 HG3 GLN A 31 4.429 -5.263 -7.058 1.00 1.74 H new ATOM 0 HE21 GLN A 31 2.280 -5.919 -6.646 1.00 2.52 H new ATOM 0 HE22 GLN A 31 1.024 -5.775 -7.879 1.00 2.52 H new ATOM 462 N ALA A 32 2.560 -5.234 -4.316 1.00 1.43 N ATOM 463 CA ALA A 32 2.787 -6.372 -3.448 1.00 1.36 C ATOM 464 C ALA A 32 2.444 -7.674 -4.149 1.00 1.55 C ATOM 465 O ALA A 32 1.335 -7.839 -4.659 1.00 1.69 O ATOM 466 CB ALA A 32 1.969 -6.227 -2.183 1.00 1.25 C ATOM 0 H ALA A 32 1.595 -5.130 -4.630 1.00 1.43 H new ATOM 0 HA ALA A 32 3.846 -6.399 -3.190 1.00 1.36 H new ATOM 0 HB1 ALA A 32 2.145 -7.086 -1.536 1.00 1.25 H new ATOM 0 HB2 ALA A 32 2.262 -5.315 -1.663 1.00 1.25 H new ATOM 0 HB3 ALA A 32 0.911 -6.176 -2.438 1.00 1.25 H new ATOM 472 N PRO A 33 3.405 -8.600 -4.220 1.00 1.60 N ATOM 473 CA PRO A 33 3.159 -9.958 -4.710 1.00 1.79 C ATOM 474 C PRO A 33 2.141 -10.695 -3.838 1.00 1.78 C ATOM 475 O PRO A 33 1.909 -10.318 -2.686 1.00 1.62 O ATOM 476 CB PRO A 33 4.534 -10.629 -4.620 1.00 1.82 C ATOM 477 CG PRO A 33 5.506 -9.504 -4.591 1.00 1.84 C ATOM 478 CD PRO A 33 4.814 -8.393 -3.862 1.00 1.52 C ATOM 0 HA PRO A 33 2.741 -9.966 -5.717 1.00 1.79 H new ATOM 0 HB2 PRO A 33 4.615 -11.245 -3.724 1.00 1.82 H new ATOM 0 HB3 PRO A 33 4.711 -11.283 -5.474 1.00 1.82 H new ATOM 0 HG2 PRO A 33 6.426 -9.793 -4.083 1.00 1.84 H new ATOM 0 HG3 PRO A 33 5.782 -9.198 -5.600 1.00 1.84 H new ATOM 0 HD2 PRO A 33 4.972 -8.455 -2.785 1.00 1.52 H new ATOM 0 HD3 PRO A 33 5.173 -7.414 -4.180 1.00 1.52 H new ATOM 486 N PRO A 34 1.520 -11.753 -4.370 1.00 1.96 N ATOM 487 CA PRO A 34 0.471 -12.483 -3.660 1.00 1.97 C ATOM 488 C PRO A 34 0.980 -13.161 -2.387 1.00 1.88 C ATOM 489 O PRO A 34 1.922 -13.951 -2.422 1.00 1.95 O ATOM 490 CB PRO A 34 0.003 -13.531 -4.677 1.00 2.20 C ATOM 491 CG PRO A 34 1.124 -13.661 -5.651 1.00 2.31 C ATOM 492 CD PRO A 34 1.798 -12.321 -5.698 1.00 2.19 C ATOM 0 HA PRO A 34 -0.322 -11.815 -3.323 1.00 1.97 H new ATOM 0 HB2 PRO A 34 -0.209 -14.484 -4.191 1.00 2.20 H new ATOM 0 HB3 PRO A 34 -0.915 -13.215 -5.173 1.00 2.20 H new ATOM 0 HG2 PRO A 34 1.823 -14.437 -5.338 1.00 2.31 H new ATOM 0 HG3 PRO A 34 0.753 -13.944 -6.636 1.00 2.31 H new ATOM 0 HD2 PRO A 34 2.869 -12.416 -5.878 1.00 2.19 H new ATOM 0 HD3 PRO A 34 1.395 -11.696 -6.495 1.00 2.19 H new ATOM 500 N GLY A 35 0.361 -12.820 -1.262 1.00 1.76 N ATOM 501 CA GLY A 35 0.655 -13.501 -0.014 1.00 1.72 C ATOM 502 C GLY A 35 1.650 -12.769 0.872 1.00 1.60 C ATOM 503 O GLY A 35 1.484 -12.733 2.088 1.00 1.71 O ATOM 0 H GLY A 35 -0.340 -12.083 -1.192 1.00 1.76 H new ATOM 0 HA2 GLY A 35 -0.274 -13.641 0.539 1.00 1.72 H new ATOM 0 HA3 GLY A 35 1.045 -14.494 -0.237 1.00 1.72 H new ATOM 507 N VAL A 36 2.656 -12.147 0.270 1.00 1.46 N ATOM 508 CA VAL A 36 3.778 -11.575 1.027 1.00 1.34 C ATOM 509 C VAL A 36 3.382 -10.364 1.872 1.00 1.22 C ATOM 510 O VAL A 36 4.130 -9.950 2.752 1.00 1.22 O ATOM 511 CB VAL A 36 4.931 -11.167 0.096 1.00 1.31 C ATOM 512 CG1 VAL A 36 5.499 -12.390 -0.601 1.00 1.49 C ATOM 513 CG2 VAL A 36 4.468 -10.136 -0.915 1.00 1.25 C ATOM 0 H VAL A 36 2.724 -12.022 -0.740 1.00 1.46 H new ATOM 0 HA VAL A 36 4.101 -12.368 1.701 1.00 1.34 H new ATOM 0 HB VAL A 36 5.719 -10.714 0.698 1.00 1.31 H new ATOM 0 HG11 VAL A 36 6.315 -12.088 -1.258 1.00 1.49 H new ATOM 0 HG12 VAL A 36 5.873 -13.092 0.144 1.00 1.49 H new ATOM 0 HG13 VAL A 36 4.717 -12.869 -1.190 1.00 1.49 H new ATOM 0 HG21 VAL A 36 5.301 -9.862 -1.563 1.00 1.25 H new ATOM 0 HG22 VAL A 36 3.661 -10.554 -1.517 1.00 1.25 H new ATOM 0 HG23 VAL A 36 4.109 -9.250 -0.392 1.00 1.25 H new ATOM 523 N MET A 37 2.211 -9.815 1.613 1.00 1.18 N ATOM 524 CA MET A 37 1.765 -8.599 2.289 1.00 1.11 C ATOM 525 C MET A 37 1.083 -8.919 3.624 1.00 1.14 C ATOM 526 O MET A 37 0.253 -8.153 4.108 1.00 1.18 O ATOM 527 CB MET A 37 0.845 -7.785 1.372 1.00 1.19 C ATOM 528 CG MET A 37 0.601 -6.360 1.860 1.00 1.18 C ATOM 529 SD MET A 37 2.099 -5.569 2.499 1.00 1.41 S ATOM 530 CE MET A 37 3.224 -5.745 1.118 1.00 0.92 C ATOM 0 H MET A 37 1.545 -10.189 0.937 1.00 1.18 H new ATOM 0 HA MET A 37 2.643 -7.994 2.514 1.00 1.11 H new ATOM 0 HB2 MET A 37 1.281 -7.749 0.374 1.00 1.19 H new ATOM 0 HB3 MET A 37 -0.112 -8.299 1.283 1.00 1.19 H new ATOM 0 HG2 MET A 37 0.203 -5.763 1.039 1.00 1.18 H new ATOM 0 HG3 MET A 37 -0.158 -6.374 2.642 1.00 1.18 H new ATOM 0 HE1 MET A 37 3.871 -4.870 1.062 1.00 0.92 H new ATOM 0 HE2 MET A 37 3.833 -6.639 1.256 1.00 0.92 H new ATOM 0 HE3 MET A 37 2.654 -5.834 0.193 1.00 0.92 H new ATOM 540 N THR A 38 1.406 -10.077 4.191 1.00 1.18 N ATOM 541 CA THR A 38 0.835 -10.494 5.466 1.00 1.27 C ATOM 542 C THR A 38 0.978 -9.385 6.514 1.00 1.26 C ATOM 543 O THR A 38 1.962 -8.647 6.510 1.00 1.16 O ATOM 544 CB THR A 38 1.516 -11.773 5.990 1.00 1.37 C ATOM 545 OG1 THR A 38 2.934 -11.580 6.065 1.00 1.35 O ATOM 546 CG2 THR A 38 1.201 -12.973 5.107 1.00 1.45 C ATOM 0 H THR A 38 2.062 -10.745 3.786 1.00 1.18 H new ATOM 0 HA THR A 38 -0.222 -10.699 5.296 1.00 1.27 H new ATOM 0 HB THR A 38 1.125 -11.976 6.987 1.00 1.37 H new ATOM 0 HG1 THR A 38 3.358 -12.397 6.401 1.00 1.35 H new ATOM 0 HG21 THR A 38 1.697 -13.858 5.505 1.00 1.45 H new ATOM 0 HG22 THR A 38 0.124 -13.138 5.088 1.00 1.45 H new ATOM 0 HG23 THR A 38 1.556 -12.783 4.094 1.00 1.45 H new ATOM 554 N PRO A 39 -0.005 -9.255 7.422 1.00 1.41 N ATOM 555 CA PRO A 39 -0.033 -8.175 8.421 1.00 1.46 C ATOM 556 C PRO A 39 1.252 -8.073 9.242 1.00 1.43 C ATOM 557 O PRO A 39 1.619 -6.989 9.699 1.00 1.40 O ATOM 558 CB PRO A 39 -1.217 -8.544 9.314 1.00 1.69 C ATOM 559 CG PRO A 39 -2.098 -9.375 8.447 1.00 1.72 C ATOM 560 CD PRO A 39 -1.176 -10.140 7.544 1.00 1.56 C ATOM 0 HA PRO A 39 -0.124 -7.199 7.945 1.00 1.46 H new ATOM 0 HB2 PRO A 39 -0.892 -9.098 10.195 1.00 1.69 H new ATOM 0 HB3 PRO A 39 -1.737 -7.655 9.671 1.00 1.69 H new ATOM 0 HG2 PRO A 39 -2.710 -10.051 9.044 1.00 1.72 H new ATOM 0 HG3 PRO A 39 -2.781 -8.751 7.871 1.00 1.72 H new ATOM 0 HD2 PRO A 39 -0.907 -11.106 7.970 1.00 1.56 H new ATOM 0 HD3 PRO A 39 -1.634 -10.336 6.575 1.00 1.56 H new ATOM 568 N GLU A 40 1.938 -9.194 9.426 1.00 1.49 N ATOM 569 CA GLU A 40 3.213 -9.186 10.122 1.00 1.53 C ATOM 570 C GLU A 40 4.258 -8.455 9.283 1.00 1.32 C ATOM 571 O GLU A 40 4.962 -7.579 9.783 1.00 1.29 O ATOM 572 CB GLU A 40 3.677 -10.608 10.422 1.00 1.71 C ATOM 573 CG GLU A 40 4.960 -10.664 11.239 1.00 1.94 C ATOM 574 CD GLU A 40 5.422 -12.077 11.502 1.00 2.17 C ATOM 575 OE1 GLU A 40 4.986 -12.672 12.508 1.00 2.48 O ATOM 576 OE2 GLU A 40 6.223 -12.602 10.702 1.00 2.76 O ATOM 0 H GLU A 40 1.634 -10.113 9.105 1.00 1.49 H new ATOM 0 HA GLU A 40 3.087 -8.663 11.070 1.00 1.53 H new ATOM 0 HB2 GLU A 40 2.889 -11.134 10.960 1.00 1.71 H new ATOM 0 HB3 GLU A 40 3.830 -11.139 9.482 1.00 1.71 H new ATOM 0 HG2 GLU A 40 5.745 -10.121 10.712 1.00 1.94 H new ATOM 0 HG3 GLU A 40 4.803 -10.155 12.190 1.00 1.94 H new ATOM 583 N LEU A 41 4.339 -8.807 8.002 1.00 1.20 N ATOM 584 CA LEU A 41 5.262 -8.143 7.086 1.00 1.02 C ATOM 585 C LEU A 41 4.860 -6.692 6.911 1.00 0.89 C ATOM 586 O LEU A 41 5.702 -5.802 6.800 1.00 0.81 O ATOM 587 CB LEU A 41 5.263 -8.821 5.726 1.00 0.97 C ATOM 588 CG LEU A 41 6.396 -8.376 4.795 1.00 0.87 C ATOM 589 CD1 LEU A 41 7.039 -9.577 4.121 1.00 1.11 C ATOM 590 CD2 LEU A 41 5.871 -7.400 3.754 1.00 0.83 C ATOM 0 H LEU A 41 3.779 -9.545 7.576 1.00 1.20 H new ATOM 0 HA LEU A 41 6.263 -8.206 7.513 1.00 1.02 H new ATOM 0 HB2 LEU A 41 5.332 -9.899 5.872 1.00 0.97 H new ATOM 0 HB3 LEU A 41 4.309 -8.626 5.236 1.00 0.97 H new ATOM 0 HG LEU A 41 7.156 -7.872 5.393 1.00 0.87 H new ATOM 0 HD11 LEU A 41 7.841 -9.240 3.464 1.00 1.11 H new ATOM 0 HD12 LEU A 41 7.448 -10.244 4.880 1.00 1.11 H new ATOM 0 HD13 LEU A 41 6.290 -10.110 3.535 1.00 1.11 H new ATOM 0 HD21 LEU A 41 6.687 -7.092 3.100 1.00 0.83 H new ATOM 0 HD22 LEU A 41 5.093 -7.883 3.162 1.00 0.83 H new ATOM 0 HD23 LEU A 41 5.456 -6.524 4.253 1.00 0.83 H new ATOM 602 N GLN A 42 3.559 -6.475 6.884 1.00 0.95 N ATOM 603 CA GLN A 42 2.991 -5.147 6.794 1.00 0.95 C ATOM 604 C GLN A 42 3.507 -4.282 7.946 1.00 0.97 C ATOM 605 O GLN A 42 3.848 -3.113 7.759 1.00 0.97 O ATOM 606 CB GLN A 42 1.467 -5.249 6.842 1.00 1.13 C ATOM 607 CG GLN A 42 0.767 -3.922 6.676 1.00 1.33 C ATOM 608 CD GLN A 42 0.696 -3.466 5.235 1.00 1.41 C ATOM 609 OE1 GLN A 42 -0.265 -3.767 4.522 1.00 2.06 O ATOM 610 NE2 GLN A 42 1.712 -2.737 4.797 1.00 1.57 N ATOM 0 H GLN A 42 2.864 -7.220 6.924 1.00 0.95 H new ATOM 0 HA GLN A 42 3.288 -4.682 5.854 1.00 0.95 H new ATOM 0 HB2 GLN A 42 1.132 -5.928 6.058 1.00 1.13 H new ATOM 0 HB3 GLN A 42 1.171 -5.690 7.794 1.00 1.13 H new ATOM 0 HG2 GLN A 42 -0.244 -3.998 7.077 1.00 1.33 H new ATOM 0 HG3 GLN A 42 1.288 -3.167 7.265 1.00 1.33 H new ATOM 0 HE21 GLN A 42 2.486 -2.512 5.423 1.00 1.57 H new ATOM 0 HE22 GLN A 42 1.720 -2.400 3.834 1.00 1.57 H new ATOM 619 N SER A 43 3.580 -4.880 9.131 1.00 1.06 N ATOM 620 CA SER A 43 4.115 -4.208 10.305 1.00 1.12 C ATOM 621 C SER A 43 5.634 -4.058 10.196 1.00 1.02 C ATOM 622 O SER A 43 6.211 -3.108 10.724 1.00 1.08 O ATOM 623 CB SER A 43 3.745 -4.988 11.573 1.00 1.29 C ATOM 624 OG SER A 43 4.237 -4.348 12.741 1.00 1.57 O ATOM 0 H SER A 43 3.272 -5.837 9.302 1.00 1.06 H new ATOM 0 HA SER A 43 3.677 -3.212 10.364 1.00 1.12 H new ATOM 0 HB2 SER A 43 2.661 -5.084 11.639 1.00 1.29 H new ATOM 0 HB3 SER A 43 4.151 -5.998 11.512 1.00 1.29 H new ATOM 0 HG SER A 43 3.983 -4.869 13.531 1.00 1.57 H new ATOM 630 N ARG A 44 6.275 -4.998 9.507 1.00 0.97 N ATOM 631 CA ARG A 44 7.717 -4.942 9.293 1.00 0.98 C ATOM 632 C ARG A 44 8.075 -3.772 8.384 1.00 0.90 C ATOM 633 O ARG A 44 9.096 -3.114 8.580 1.00 1.04 O ATOM 634 CB ARG A 44 8.232 -6.258 8.702 1.00 1.09 C ATOM 635 CG ARG A 44 8.088 -7.456 9.634 1.00 1.26 C ATOM 636 CD ARG A 44 9.035 -7.376 10.826 1.00 1.51 C ATOM 637 NE ARG A 44 8.707 -6.277 11.736 1.00 1.90 N ATOM 638 CZ ARG A 44 9.544 -5.286 12.045 1.00 2.59 C ATOM 639 NH1 ARG A 44 10.773 -5.265 11.543 1.00 3.00 N ATOM 640 NH2 ARG A 44 9.137 -4.318 12.857 1.00 3.34 N ATOM 0 H ARG A 44 5.818 -5.808 9.087 1.00 0.97 H new ATOM 0 HA ARG A 44 8.199 -4.792 10.259 1.00 0.98 H new ATOM 0 HB2 ARG A 44 7.694 -6.464 7.777 1.00 1.09 H new ATOM 0 HB3 ARG A 44 9.283 -6.139 8.439 1.00 1.09 H new ATOM 0 HG2 ARG A 44 7.060 -7.514 9.992 1.00 1.26 H new ATOM 0 HG3 ARG A 44 8.284 -8.373 9.078 1.00 1.26 H new ATOM 0 HD2 ARG A 44 9.003 -8.318 11.374 1.00 1.51 H new ATOM 0 HD3 ARG A 44 10.056 -7.251 10.466 1.00 1.51 H new ATOM 0 HE ARG A 44 7.780 -6.269 12.160 1.00 1.90 H new ATOM 0 HH11 ARG A 44 11.081 -6.009 10.917 1.00 3.00 H new ATOM 0 HH12 ARG A 44 11.409 -4.504 11.783 1.00 3.00 H new ATOM 0 HH21 ARG A 44 8.191 -4.336 13.239 1.00 3.34 H new ATOM 0 HH22 ARG A 44 9.770 -3.556 13.099 1.00 3.34 H new ATOM 654 N LEU A 45 7.232 -3.529 7.385 1.00 0.78 N ATOM 655 CA LEU A 45 7.359 -2.338 6.554 1.00 0.80 C ATOM 656 C LEU A 45 7.117 -1.100 7.413 1.00 1.06 C ATOM 657 O LEU A 45 7.811 -0.093 7.293 1.00 1.25 O ATOM 658 CB LEU A 45 6.351 -2.383 5.397 1.00 0.77 C ATOM 659 CG LEU A 45 6.559 -3.518 4.388 1.00 0.64 C ATOM 660 CD1 LEU A 45 5.350 -3.656 3.477 1.00 0.78 C ATOM 661 CD2 LEU A 45 7.809 -3.276 3.559 1.00 0.54 C ATOM 0 H LEU A 45 6.455 -4.140 7.132 1.00 0.78 H new ATOM 0 HA LEU A 45 8.363 -2.299 6.132 1.00 0.80 H new ATOM 0 HB2 LEU A 45 5.348 -2.470 5.815 1.00 0.77 H new ATOM 0 HB3 LEU A 45 6.393 -1.433 4.864 1.00 0.77 H new ATOM 0 HG LEU A 45 6.683 -4.446 4.946 1.00 0.64 H new ATOM 0 HD11 LEU A 45 5.519 -4.467 2.769 1.00 0.78 H new ATOM 0 HD12 LEU A 45 4.466 -3.875 4.076 1.00 0.78 H new ATOM 0 HD13 LEU A 45 5.197 -2.725 2.932 1.00 0.78 H new ATOM 0 HD21 LEU A 45 7.939 -4.093 2.849 1.00 0.54 H new ATOM 0 HD22 LEU A 45 7.709 -2.336 3.016 1.00 0.54 H new ATOM 0 HD23 LEU A 45 8.677 -3.225 4.216 1.00 0.54 H new ATOM 673 N GLY A 46 6.096 -1.183 8.257 1.00 1.20 N ATOM 674 CA GLY A 46 5.880 -0.183 9.286 1.00 1.56 C ATOM 675 C GLY A 46 5.135 1.036 8.793 1.00 1.89 C ATOM 676 O GLY A 46 4.496 1.735 9.579 1.00 2.30 O ATOM 0 H GLY A 46 5.406 -1.934 8.246 1.00 1.20 H new ATOM 0 HA2 GLY A 46 5.322 -0.633 10.107 1.00 1.56 H new ATOM 0 HA3 GLY A 46 6.844 0.128 9.688 1.00 1.56 H new ATOM 680 N GLY A 47 5.202 1.286 7.494 1.00 1.84 N ATOM 681 CA GLY A 47 4.574 2.464 6.931 1.00 2.25 C ATOM 682 C GLY A 47 5.319 3.731 7.301 1.00 2.18 C ATOM 683 O GLY A 47 4.799 4.835 7.142 1.00 2.57 O ATOM 0 H GLY A 47 5.682 0.692 6.817 1.00 1.84 H new ATOM 0 HA2 GLY A 47 4.533 2.370 5.846 1.00 2.25 H new ATOM 0 HA3 GLY A 47 3.545 2.531 7.284 1.00 2.25 H new ATOM 687 N ALA A 48 6.542 3.571 7.798 1.00 1.86 N ATOM 688 CA ALA A 48 7.355 4.699 8.208 1.00 2.02 C ATOM 689 C ALA A 48 8.080 5.281 7.006 1.00 2.08 C ATOM 690 O ALA A 48 8.421 4.559 6.071 1.00 1.94 O ATOM 691 CB ALA A 48 8.343 4.265 9.280 1.00 1.99 C ATOM 0 H ALA A 48 6.989 2.663 7.925 1.00 1.86 H new ATOM 0 HA ALA A 48 6.712 5.473 8.628 1.00 2.02 H new ATOM 0 HB1 ALA A 48 8.950 5.118 9.582 1.00 1.99 H new ATOM 0 HB2 ALA A 48 7.798 3.883 10.143 1.00 1.99 H new ATOM 0 HB3 ALA A 48 8.990 3.482 8.883 1.00 1.99 H new ATOM 697 N ARG A 49 8.343 6.574 7.043 1.00 2.37 N ATOM 698 CA ARG A 49 8.882 7.265 5.882 1.00 2.47 C ATOM 699 C ARG A 49 10.322 6.842 5.588 1.00 2.33 C ATOM 700 O ARG A 49 10.630 6.469 4.462 1.00 2.17 O ATOM 701 CB ARG A 49 8.772 8.780 6.057 1.00 2.87 C ATOM 702 CG ARG A 49 9.458 9.312 7.296 1.00 3.30 C ATOM 703 CD ARG A 49 9.211 10.802 7.450 1.00 3.76 C ATOM 704 NE ARG A 49 7.820 11.098 7.780 1.00 4.15 N ATOM 705 CZ ARG A 49 7.266 12.304 7.673 1.00 4.69 C ATOM 706 NH1 ARG A 49 7.961 13.323 7.178 1.00 4.89 N ATOM 707 NH2 ARG A 49 6.007 12.483 8.046 1.00 5.36 N ATOM 0 H ARG A 49 8.194 7.167 7.860 1.00 2.37 H new ATOM 0 HA ARG A 49 8.283 6.978 5.018 1.00 2.47 H new ATOM 0 HB2 ARG A 49 9.199 9.268 5.181 1.00 2.87 H new ATOM 0 HB3 ARG A 49 7.718 9.055 6.092 1.00 2.87 H new ATOM 0 HG2 ARG A 49 9.090 8.785 8.176 1.00 3.30 H new ATOM 0 HG3 ARG A 49 10.529 9.121 7.235 1.00 3.30 H new ATOM 0 HD2 ARG A 49 9.860 11.198 8.231 1.00 3.76 H new ATOM 0 HD3 ARG A 49 9.479 11.311 6.524 1.00 3.76 H new ATOM 0 HE ARG A 49 7.235 10.332 8.114 1.00 4.15 H new ATOM 0 HH11 ARG A 49 8.926 13.184 6.877 1.00 4.89 H new ATOM 0 HH12 ARG A 49 7.530 14.244 7.099 1.00 4.89 H new ATOM 0 HH21 ARG A 49 5.467 11.699 8.413 1.00 5.36 H new ATOM 0 HH22 ARG A 49 5.578 13.405 7.966 1.00 5.36 H new ATOM 721 N HIS A 50 11.190 6.875 6.603 1.00 2.45 N ATOM 722 CA HIS A 50 12.584 6.443 6.441 1.00 2.44 C ATOM 723 C HIS A 50 12.643 5.007 5.936 1.00 2.06 C ATOM 724 O HIS A 50 13.506 4.651 5.127 1.00 1.95 O ATOM 725 CB HIS A 50 13.372 6.577 7.757 1.00 2.74 C ATOM 726 CG HIS A 50 12.642 6.072 8.965 1.00 2.77 C ATOM 727 ND1 HIS A 50 12.404 4.733 9.210 1.00 2.59 N ATOM 728 CD2 HIS A 50 12.051 6.746 9.978 1.00 2.99 C ATOM 729 CE1 HIS A 50 11.691 4.615 10.309 1.00 2.68 C ATOM 730 NE2 HIS A 50 11.465 5.817 10.798 1.00 2.91 N ATOM 0 H HIS A 50 10.955 7.195 7.543 1.00 2.45 H new ATOM 0 HA HIS A 50 13.049 7.097 5.703 1.00 2.44 H new ATOM 0 HB2 HIS A 50 14.312 6.034 7.661 1.00 2.74 H new ATOM 0 HB3 HIS A 50 13.624 7.626 7.911 1.00 2.74 H new ATOM 0 HD1 HIS A 50 12.730 3.959 8.631 1.00 2.59 H new ATOM 0 HD2 HIS A 50 12.042 7.817 10.115 1.00 2.99 H new ATOM 0 HE1 HIS A 50 11.348 3.686 10.739 1.00 2.68 H new ATOM 739 N GLU A 51 11.697 4.201 6.402 1.00 1.91 N ATOM 740 CA GLU A 51 11.605 2.814 5.991 1.00 1.65 C ATOM 741 C GLU A 51 11.330 2.736 4.514 1.00 1.36 C ATOM 742 O GLU A 51 12.029 2.057 3.757 1.00 1.19 O ATOM 743 CB GLU A 51 10.482 2.108 6.736 1.00 1.68 C ATOM 744 CG GLU A 51 10.978 0.949 7.553 1.00 1.72 C ATOM 745 CD GLU A 51 11.805 1.402 8.738 1.00 2.19 C ATOM 746 OE1 GLU A 51 12.866 2.029 8.529 1.00 2.54 O ATOM 747 OE2 GLU A 51 11.385 1.157 9.886 1.00 2.75 O ATOM 0 H GLU A 51 10.981 4.490 7.068 1.00 1.91 H new ATOM 0 HA GLU A 51 12.552 2.327 6.221 1.00 1.65 H new ATOM 0 HB2 GLU A 51 9.979 2.821 7.389 1.00 1.68 H new ATOM 0 HB3 GLU A 51 9.741 1.754 6.020 1.00 1.68 H new ATOM 0 HG2 GLU A 51 10.128 0.365 7.906 1.00 1.72 H new ATOM 0 HG3 GLU A 51 11.577 0.292 6.923 1.00 1.72 H new ATOM 754 N LEU A 52 10.316 3.467 4.105 1.00 1.41 N ATOM 755 CA LEU A 52 9.884 3.428 2.731 1.00 1.31 C ATOM 756 C LEU A 52 10.916 4.071 1.816 1.00 1.37 C ATOM 757 O LEU A 52 10.989 3.745 0.640 1.00 1.27 O ATOM 758 CB LEU A 52 8.520 4.105 2.565 1.00 1.57 C ATOM 759 CG LEU A 52 7.390 3.510 3.408 1.00 1.56 C ATOM 760 CD1 LEU A 52 6.086 4.246 3.146 1.00 1.90 C ATOM 761 CD2 LEU A 52 7.229 2.024 3.125 1.00 1.33 C ATOM 0 H LEU A 52 9.779 4.093 4.705 1.00 1.41 H new ATOM 0 HA LEU A 52 9.781 2.381 2.445 1.00 1.31 H new ATOM 0 HB2 LEU A 52 8.623 5.160 2.818 1.00 1.57 H new ATOM 0 HB3 LEU A 52 8.233 4.055 1.515 1.00 1.57 H new ATOM 0 HG LEU A 52 7.650 3.630 4.460 1.00 1.56 H new ATOM 0 HD11 LEU A 52 5.293 3.810 3.754 1.00 1.90 H new ATOM 0 HD12 LEU A 52 6.204 5.298 3.405 1.00 1.90 H new ATOM 0 HD13 LEU A 52 5.824 4.159 2.091 1.00 1.90 H new ATOM 0 HD21 LEU A 52 6.420 1.623 3.736 1.00 1.33 H new ATOM 0 HD22 LEU A 52 6.995 1.878 2.071 1.00 1.33 H new ATOM 0 HD23 LEU A 52 8.157 1.505 3.366 1.00 1.33 H new ATOM 773 N ILE A 53 11.715 4.986 2.364 1.00 1.59 N ATOM 774 CA ILE A 53 12.799 5.606 1.609 1.00 1.69 C ATOM 775 C ILE A 53 13.785 4.543 1.127 1.00 1.43 C ATOM 776 O ILE A 53 14.158 4.515 -0.046 1.00 1.32 O ATOM 777 CB ILE A 53 13.552 6.670 2.445 1.00 2.06 C ATOM 778 CG1 ILE A 53 12.642 7.870 2.728 1.00 2.36 C ATOM 779 CG2 ILE A 53 14.819 7.122 1.731 1.00 2.17 C ATOM 780 CD1 ILE A 53 13.270 8.915 3.628 1.00 2.74 C ATOM 0 H ILE A 53 11.631 5.313 3.327 1.00 1.59 H new ATOM 0 HA ILE A 53 12.350 6.107 0.752 1.00 1.69 H new ATOM 0 HB ILE A 53 13.838 6.217 3.394 1.00 2.06 H new ATOM 0 HG12 ILE A 53 12.367 8.337 1.782 1.00 2.36 H new ATOM 0 HG13 ILE A 53 11.720 7.514 3.188 1.00 2.36 H new ATOM 0 HG21 ILE A 53 15.331 7.869 2.337 1.00 2.17 H new ATOM 0 HG22 ILE A 53 15.476 6.266 1.579 1.00 2.17 H new ATOM 0 HG23 ILE A 53 14.558 7.555 0.765 1.00 2.17 H new ATOM 0 HD11 ILE A 53 12.566 9.733 3.782 1.00 2.74 H new ATOM 0 HD12 ILE A 53 13.520 8.465 4.589 1.00 2.74 H new ATOM 0 HD13 ILE A 53 14.177 9.300 3.161 1.00 2.74 H new ATOM 792 N ALA A 54 14.185 3.658 2.033 1.00 1.41 N ATOM 793 CA ALA A 54 15.092 2.569 1.682 1.00 1.31 C ATOM 794 C ALA A 54 14.405 1.584 0.740 1.00 1.00 C ATOM 795 O ALA A 54 15.033 1.001 -0.149 1.00 0.95 O ATOM 796 CB ALA A 54 15.571 1.856 2.938 1.00 1.50 C ATOM 0 H ALA A 54 13.898 3.672 3.012 1.00 1.41 H new ATOM 0 HA ALA A 54 15.957 2.990 1.169 1.00 1.31 H new ATOM 0 HB1 ALA A 54 16.246 1.046 2.662 1.00 1.50 H new ATOM 0 HB2 ALA A 54 16.096 2.563 3.580 1.00 1.50 H new ATOM 0 HB3 ALA A 54 14.714 1.447 3.473 1.00 1.50 H new ATOM 802 N LEU A 55 13.097 1.458 0.910 1.00 0.89 N ATOM 803 CA LEU A 55 12.307 0.491 0.165 1.00 0.74 C ATOM 804 C LEU A 55 12.205 0.962 -1.279 1.00 0.70 C ATOM 805 O LEU A 55 12.330 0.197 -2.224 1.00 0.73 O ATOM 806 CB LEU A 55 10.920 0.377 0.817 1.00 0.84 C ATOM 807 CG LEU A 55 10.069 -0.837 0.432 1.00 0.76 C ATOM 808 CD1 LEU A 55 9.632 -0.766 -1.020 1.00 1.32 C ATOM 809 CD2 LEU A 55 10.829 -2.126 0.708 1.00 1.01 C ATOM 0 H LEU A 55 12.556 2.021 1.566 1.00 0.89 H new ATOM 0 HA LEU A 55 12.773 -0.494 0.178 1.00 0.74 H new ATOM 0 HB2 LEU A 55 11.054 0.368 1.899 1.00 0.84 H new ATOM 0 HB3 LEU A 55 10.356 1.277 0.573 1.00 0.84 H new ATOM 0 HG LEU A 55 9.169 -0.828 1.047 1.00 0.76 H new ATOM 0 HD11 LEU A 55 9.030 -1.642 -1.262 1.00 1.32 H new ATOM 0 HD12 LEU A 55 9.041 0.136 -1.178 1.00 1.32 H new ATOM 0 HD13 LEU A 55 10.511 -0.741 -1.664 1.00 1.32 H new ATOM 0 HD21 LEU A 55 10.211 -2.980 0.429 1.00 1.01 H new ATOM 0 HD22 LEU A 55 11.749 -2.138 0.124 1.00 1.01 H new ATOM 0 HD23 LEU A 55 11.072 -2.185 1.769 1.00 1.01 H new ATOM 821 N LEU A 56 12.006 2.251 -1.402 1.00 0.81 N ATOM 822 CA LEU A 56 11.907 2.949 -2.650 1.00 0.89 C ATOM 823 C LEU A 56 13.218 2.840 -3.417 1.00 0.83 C ATOM 824 O LEU A 56 13.244 2.602 -4.627 1.00 0.90 O ATOM 825 CB LEU A 56 11.663 4.370 -2.227 1.00 1.13 C ATOM 826 CG LEU A 56 10.751 5.255 -3.032 1.00 1.15 C ATOM 827 CD1 LEU A 56 10.880 5.022 -4.530 1.00 1.28 C ATOM 828 CD2 LEU A 56 9.321 5.121 -2.545 1.00 1.68 C ATOM 0 H LEU A 56 11.905 2.866 -0.595 1.00 0.81 H new ATOM 0 HA LEU A 56 11.130 2.557 -3.306 1.00 0.89 H new ATOM 0 HB2 LEU A 56 11.270 4.341 -1.211 1.00 1.13 H new ATOM 0 HB3 LEU A 56 12.633 4.864 -2.180 1.00 1.13 H new ATOM 0 HG LEU A 56 11.064 6.287 -2.872 1.00 1.15 H new ATOM 0 HD11 LEU A 56 10.199 5.687 -5.062 1.00 1.28 H new ATOM 0 HD12 LEU A 56 11.904 5.225 -4.843 1.00 1.28 H new ATOM 0 HD13 LEU A 56 10.629 3.987 -4.760 1.00 1.28 H new ATOM 0 HD21 LEU A 56 8.673 5.767 -3.137 1.00 1.68 H new ATOM 0 HD22 LEU A 56 8.996 4.086 -2.651 1.00 1.68 H new ATOM 0 HD23 LEU A 56 9.265 5.413 -1.496 1.00 1.68 H new ATOM 840 N ARG A 57 14.306 3.010 -2.677 1.00 0.82 N ATOM 841 CA ARG A 57 15.643 2.991 -3.239 1.00 0.88 C ATOM 842 C ARG A 57 15.980 1.632 -3.840 1.00 0.87 C ATOM 843 O ARG A 57 16.755 1.548 -4.790 1.00 0.98 O ATOM 844 CB ARG A 57 16.659 3.355 -2.156 1.00 1.09 C ATOM 845 CG ARG A 57 18.100 3.265 -2.618 1.00 1.53 C ATOM 846 CD ARG A 57 19.062 3.793 -1.571 1.00 1.95 C ATOM 847 NE ARG A 57 18.853 5.214 -1.306 1.00 2.59 N ATOM 848 CZ ARG A 57 19.417 5.878 -0.300 1.00 3.23 C ATOM 849 NH1 ARG A 57 20.228 5.254 0.549 1.00 3.41 N ATOM 850 NH2 ARG A 57 19.171 7.171 -0.142 1.00 4.07 N ATOM 0 H ARG A 57 14.282 3.165 -1.669 1.00 0.82 H new ATOM 0 HA ARG A 57 15.684 3.726 -4.043 1.00 0.88 H new ATOM 0 HB2 ARG A 57 16.460 4.369 -1.810 1.00 1.09 H new ATOM 0 HB3 ARG A 57 16.519 2.693 -1.301 1.00 1.09 H new ATOM 0 HG2 ARG A 57 18.344 2.227 -2.846 1.00 1.53 H new ATOM 0 HG3 ARG A 57 18.222 3.831 -3.541 1.00 1.53 H new ATOM 0 HD2 ARG A 57 18.937 3.229 -0.646 1.00 1.95 H new ATOM 0 HD3 ARG A 57 20.087 3.633 -1.906 1.00 1.95 H new ATOM 0 HE ARG A 57 18.235 5.731 -1.932 1.00 2.59 H new ATOM 0 HH11 ARG A 57 20.422 4.259 0.432 1.00 3.41 H new ATOM 0 HH12 ARG A 57 20.656 5.770 1.318 1.00 3.41 H new ATOM 0 HH21 ARG A 57 18.550 7.655 -0.791 1.00 4.07 H new ATOM 0 HH22 ARG A 57 19.602 7.682 0.628 1.00 4.07 H new ATOM 864 N GLN A 58 15.392 0.573 -3.299 1.00 0.86 N ATOM 865 CA GLN A 58 15.683 -0.772 -3.789 1.00 1.07 C ATOM 866 C GLN A 58 15.263 -0.921 -5.256 1.00 1.15 C ATOM 867 O GLN A 58 15.910 -1.633 -6.023 1.00 1.40 O ATOM 868 CB GLN A 58 14.991 -1.831 -2.925 1.00 1.15 C ATOM 869 CG GLN A 58 13.588 -2.188 -3.386 1.00 0.96 C ATOM 870 CD GLN A 58 12.845 -3.057 -2.401 1.00 1.15 C ATOM 871 OE1 GLN A 58 13.438 -3.823 -1.647 1.00 1.75 O ATOM 872 NE2 GLN A 58 11.535 -2.944 -2.410 1.00 0.91 N ATOM 0 H GLN A 58 14.720 0.615 -2.532 1.00 0.86 H new ATOM 0 HA GLN A 58 16.760 -0.926 -3.722 1.00 1.07 H new ATOM 0 HB2 GLN A 58 15.601 -2.734 -2.919 1.00 1.15 H new ATOM 0 HB3 GLN A 58 14.944 -1.471 -1.897 1.00 1.15 H new ATOM 0 HG2 GLN A 58 13.022 -1.271 -3.552 1.00 0.96 H new ATOM 0 HG3 GLN A 58 13.647 -2.704 -4.344 1.00 0.96 H new ATOM 0 HE21 GLN A 58 11.084 -2.294 -3.054 1.00 0.91 H new ATOM 0 HE22 GLN A 58 10.970 -3.506 -1.773 1.00 0.91 H new ATOM 881 N LEU A 59 14.195 -0.225 -5.647 1.00 1.05 N ATOM 882 CA LEU A 59 13.702 -0.313 -7.016 1.00 1.27 C ATOM 883 C LEU A 59 14.049 0.952 -7.792 1.00 1.30 C ATOM 884 O LEU A 59 13.417 1.266 -8.802 1.00 1.61 O ATOM 885 CB LEU A 59 12.182 -0.555 -7.057 1.00 1.40 C ATOM 886 CG LEU A 59 11.306 0.528 -6.417 1.00 1.61 C ATOM 887 CD1 LEU A 59 10.009 0.688 -7.198 1.00 1.94 C ATOM 888 CD2 LEU A 59 10.996 0.178 -4.971 1.00 2.47 C ATOM 0 H LEU A 59 13.662 0.398 -5.041 1.00 1.05 H new ATOM 0 HA LEU A 59 14.192 -1.166 -7.485 1.00 1.27 H new ATOM 0 HB2 LEU A 59 11.881 -0.668 -8.099 1.00 1.40 H new ATOM 0 HB3 LEU A 59 11.973 -1.503 -6.561 1.00 1.40 H new ATOM 0 HG LEU A 59 11.854 1.470 -6.441 1.00 1.61 H new ATOM 0 HD11 LEU A 59 9.397 1.460 -6.732 1.00 1.94 H new ATOM 0 HD12 LEU A 59 10.236 0.975 -8.225 1.00 1.94 H new ATOM 0 HD13 LEU A 59 9.465 -0.256 -7.197 1.00 1.94 H new ATOM 0 HD21 LEU A 59 10.373 0.958 -4.533 1.00 2.47 H new ATOM 0 HD22 LEU A 59 10.466 -0.774 -4.933 1.00 2.47 H new ATOM 0 HD23 LEU A 59 11.926 0.098 -4.409 1.00 2.47 H new ATOM 900 N GLN A 60 15.054 1.675 -7.317 1.00 1.09 N ATOM 901 CA GLN A 60 15.517 2.870 -8.001 1.00 1.19 C ATOM 902 C GLN A 60 16.294 2.470 -9.259 1.00 1.31 C ATOM 903 O GLN A 60 17.269 1.721 -9.184 1.00 1.42 O ATOM 904 CB GLN A 60 16.393 3.706 -7.066 1.00 1.31 C ATOM 905 CG GLN A 60 16.679 5.106 -7.581 1.00 1.43 C ATOM 906 CD GLN A 60 17.532 5.917 -6.626 1.00 1.79 C ATOM 907 OE1 GLN A 60 18.348 5.373 -5.879 1.00 2.58 O ATOM 908 NE2 GLN A 60 17.355 7.228 -6.642 1.00 1.95 N ATOM 0 H GLN A 60 15.563 1.453 -6.461 1.00 1.09 H new ATOM 0 HA GLN A 60 14.659 3.475 -8.295 1.00 1.19 H new ATOM 0 HB2 GLN A 60 15.904 3.779 -6.095 1.00 1.31 H new ATOM 0 HB3 GLN A 60 17.338 3.187 -6.909 1.00 1.31 H new ATOM 0 HG2 GLN A 60 17.184 5.038 -8.545 1.00 1.43 H new ATOM 0 HG3 GLN A 60 15.736 5.626 -7.751 1.00 1.43 H new ATOM 0 HE21 GLN A 60 16.670 7.642 -7.274 1.00 1.95 H new ATOM 0 HE22 GLN A 60 17.903 7.824 -6.022 1.00 1.95 H new ATOM 1254 N GLY B 8 -19.388 0.100 -7.444 1.00 4.66 N ATOM 1255 CA GLY B 8 -20.280 -0.676 -6.600 1.00 4.09 C ATOM 1256 C GLY B 8 -19.726 -2.047 -6.263 1.00 4.04 C ATOM 1257 O GLY B 8 -19.738 -2.463 -5.102 1.00 3.54 O ATOM 0 HA2 GLY B 8 -20.467 -0.128 -5.677 1.00 4.09 H new ATOM 0 HA3 GLY B 8 -21.240 -0.791 -7.103 1.00 4.09 H new ATOM 1261 N ALA B 9 -19.230 -2.746 -7.276 1.00 4.69 N ATOM 1262 CA ALA B 9 -18.667 -4.074 -7.080 1.00 4.91 C ATOM 1263 C ALA B 9 -17.318 -3.990 -6.374 1.00 4.50 C ATOM 1264 O ALA B 9 -17.043 -4.752 -5.445 1.00 4.40 O ATOM 1265 CB ALA B 9 -18.525 -4.793 -8.414 1.00 5.78 C ATOM 0 H ALA B 9 -19.207 -2.415 -8.241 1.00 4.69 H new ATOM 0 HA ALA B 9 -19.348 -4.644 -6.448 1.00 4.91 H new ATOM 0 HB1 ALA B 9 -18.103 -5.784 -8.250 1.00 5.78 H new ATOM 0 HB2 ALA B 9 -19.505 -4.889 -8.882 1.00 5.78 H new ATOM 0 HB3 ALA B 9 -17.866 -4.221 -9.067 1.00 5.78 H new ATOM 1271 N LEU B 10 -16.496 -3.040 -6.808 1.00 4.38 N ATOM 1272 CA LEU B 10 -15.164 -2.855 -6.244 1.00 3.97 C ATOM 1273 C LEU B 10 -15.245 -2.572 -4.750 1.00 3.17 C ATOM 1274 O LEU B 10 -14.553 -3.205 -3.957 1.00 2.96 O ATOM 1275 CB LEU B 10 -14.437 -1.709 -6.959 1.00 4.13 C ATOM 1276 CG LEU B 10 -13.038 -1.381 -6.430 1.00 3.77 C ATOM 1277 CD1 LEU B 10 -12.096 -2.564 -6.605 1.00 3.68 C ATOM 1278 CD2 LEU B 10 -12.486 -0.150 -7.128 1.00 4.12 C ATOM 0 H LEU B 10 -16.731 -2.383 -7.552 1.00 4.38 H new ATOM 0 HA LEU B 10 -14.601 -3.777 -6.391 1.00 3.97 H new ATOM 0 HB2 LEU B 10 -14.357 -1.958 -8.017 1.00 4.13 H new ATOM 0 HB3 LEU B 10 -15.052 -0.812 -6.888 1.00 4.13 H new ATOM 0 HG LEU B 10 -13.117 -1.171 -5.363 1.00 3.77 H new ATOM 0 HD11 LEU B 10 -11.110 -2.304 -6.221 1.00 3.68 H new ATOM 0 HD12 LEU B 10 -12.484 -3.422 -6.056 1.00 3.68 H new ATOM 0 HD13 LEU B 10 -12.019 -2.814 -7.663 1.00 3.68 H new ATOM 0 HD21 LEU B 10 -11.491 0.072 -6.742 1.00 4.12 H new ATOM 0 HD22 LEU B 10 -12.426 -0.336 -8.200 1.00 4.12 H new ATOM 0 HD23 LEU B 10 -13.144 0.699 -6.943 1.00 4.12 H new ATOM 1290 N LEU B 11 -16.128 -1.654 -4.379 1.00 2.86 N ATOM 1291 CA LEU B 11 -16.307 -1.277 -2.982 1.00 2.18 C ATOM 1292 C LEU B 11 -16.750 -2.488 -2.166 1.00 2.26 C ATOM 1293 O LEU B 11 -16.205 -2.757 -1.097 1.00 2.13 O ATOM 1294 CB LEU B 11 -17.338 -0.136 -2.887 1.00 2.17 C ATOM 1295 CG LEU B 11 -17.470 0.575 -1.528 1.00 1.84 C ATOM 1296 CD1 LEU B 11 -18.302 -0.248 -0.555 1.00 1.83 C ATOM 1297 CD2 LEU B 11 -16.098 0.872 -0.946 1.00 1.71 C ATOM 0 H LEU B 11 -16.734 -1.154 -5.029 1.00 2.86 H new ATOM 0 HA LEU B 11 -15.360 -0.924 -2.573 1.00 2.18 H new ATOM 0 HB2 LEU B 11 -17.085 0.613 -3.638 1.00 2.17 H new ATOM 0 HB3 LEU B 11 -18.315 -0.539 -3.155 1.00 2.17 H new ATOM 0 HG LEU B 11 -17.988 1.520 -1.691 1.00 1.84 H new ATOM 0 HD11 LEU B 11 -18.378 0.280 0.396 1.00 1.83 H new ATOM 0 HD12 LEU B 11 -19.300 -0.399 -0.967 1.00 1.83 H new ATOM 0 HD13 LEU B 11 -17.825 -1.215 -0.396 1.00 1.83 H new ATOM 0 HD21 LEU B 11 -16.211 1.375 0.015 1.00 1.71 H new ATOM 0 HD22 LEU B 11 -15.553 -0.061 -0.805 1.00 1.71 H new ATOM 0 HD23 LEU B 11 -15.544 1.516 -1.629 1.00 1.71 H new ATOM 1309 N ALA B 12 -17.713 -3.229 -2.699 1.00 2.76 N ATOM 1310 CA ALA B 12 -18.279 -4.373 -1.996 1.00 3.14 C ATOM 1311 C ALA B 12 -17.223 -5.423 -1.651 1.00 3.58 C ATOM 1312 O ALA B 12 -17.092 -5.823 -0.492 1.00 3.74 O ATOM 1313 CB ALA B 12 -19.395 -4.998 -2.820 1.00 3.68 C ATOM 0 H ALA B 12 -18.119 -3.057 -3.619 1.00 2.76 H new ATOM 0 HA ALA B 12 -18.687 -4.004 -1.055 1.00 3.14 H new ATOM 0 HB1 ALA B 12 -19.809 -5.852 -2.283 1.00 3.68 H new ATOM 0 HB2 ALA B 12 -20.179 -4.260 -2.989 1.00 3.68 H new ATOM 0 HB3 ALA B 12 -18.997 -5.331 -3.779 1.00 3.68 H new ATOM 1319 N HIS B 13 -16.458 -5.866 -2.644 1.00 3.94 N ATOM 1320 CA HIS B 13 -15.500 -6.943 -2.416 1.00 4.46 C ATOM 1321 C HIS B 13 -14.252 -6.433 -1.684 1.00 4.06 C ATOM 1322 O HIS B 13 -13.615 -7.185 -0.950 1.00 4.48 O ATOM 1323 CB HIS B 13 -15.128 -7.671 -3.723 1.00 5.05 C ATOM 1324 CG HIS B 13 -14.132 -6.971 -4.605 1.00 4.87 C ATOM 1325 ND1 HIS B 13 -12.796 -7.297 -4.623 1.00 4.94 N ATOM 1326 CD2 HIS B 13 -14.288 -5.994 -5.522 1.00 4.82 C ATOM 1327 CE1 HIS B 13 -12.173 -6.545 -5.508 1.00 4.81 C ATOM 1328 NE2 HIS B 13 -13.055 -5.744 -6.074 1.00 4.82 N ATOM 0 H HIS B 13 -16.480 -5.504 -3.597 1.00 3.94 H new ATOM 0 HA HIS B 13 -15.987 -7.675 -1.772 1.00 4.46 H new ATOM 0 HB2 HIS B 13 -14.731 -8.654 -3.468 1.00 5.05 H new ATOM 0 HB3 HIS B 13 -16.040 -7.835 -4.297 1.00 5.05 H new ATOM 0 HD1 HIS B 13 -12.356 -8.010 -4.042 1.00 4.94 H new ATOM 0 HD2 HIS B 13 -15.213 -5.499 -5.776 1.00 4.82 H new ATOM 0 HE1 HIS B 13 -11.117 -6.579 -5.732 1.00 4.81 H new ATOM 1337 N ALA B 14 -13.915 -5.158 -1.869 1.00 3.33 N ATOM 1338 CA ALA B 14 -12.764 -4.577 -1.185 1.00 2.95 C ATOM 1339 C ALA B 14 -13.038 -4.446 0.307 1.00 2.97 C ATOM 1340 O ALA B 14 -12.197 -4.804 1.136 1.00 3.30 O ATOM 1341 CB ALA B 14 -12.405 -3.225 -1.782 1.00 2.26 C ATOM 0 H ALA B 14 -14.417 -4.514 -2.480 1.00 3.33 H new ATOM 0 HA ALA B 14 -11.915 -5.246 -1.323 1.00 2.95 H new ATOM 0 HB1 ALA B 14 -11.544 -2.812 -1.256 1.00 2.26 H new ATOM 0 HB2 ALA B 14 -12.161 -3.347 -2.837 1.00 2.26 H new ATOM 0 HB3 ALA B 14 -13.252 -2.546 -1.681 1.00 2.26 H new ATOM 1347 N ALA B 15 -14.225 -3.948 0.639 1.00 2.80 N ATOM 1348 CA ALA B 15 -14.638 -3.802 2.030 1.00 3.07 C ATOM 1349 C ALA B 15 -14.701 -5.153 2.730 1.00 3.91 C ATOM 1350 O ALA B 15 -14.292 -5.285 3.883 1.00 4.37 O ATOM 1351 CB ALA B 15 -15.990 -3.107 2.114 1.00 2.79 C ATOM 0 H ALA B 15 -14.920 -3.638 -0.040 1.00 2.80 H new ATOM 0 HA ALA B 15 -13.892 -3.189 2.537 1.00 3.07 H new ATOM 0 HB1 ALA B 15 -16.283 -3.006 3.159 1.00 2.79 H new ATOM 0 HB2 ALA B 15 -15.920 -2.119 1.660 1.00 2.79 H new ATOM 0 HB3 ALA B 15 -16.736 -3.698 1.583 1.00 2.79 H new ATOM 1357 N SER B 16 -15.201 -6.153 2.015 1.00 4.22 N ATOM 1358 CA SER B 16 -15.332 -7.496 2.557 1.00 5.05 C ATOM 1359 C SER B 16 -13.967 -8.074 2.931 1.00 5.46 C ATOM 1360 O SER B 16 -13.819 -8.730 3.964 1.00 6.10 O ATOM 1361 CB SER B 16 -16.038 -8.397 1.545 1.00 5.36 C ATOM 1362 OG SER B 16 -17.326 -7.889 1.232 1.00 5.53 O ATOM 0 H SER B 16 -15.524 -6.056 1.052 1.00 4.22 H new ATOM 0 HA SER B 16 -15.931 -7.445 3.466 1.00 5.05 H new ATOM 0 HB2 SER B 16 -15.440 -8.470 0.637 1.00 5.36 H new ATOM 0 HB3 SER B 16 -16.128 -9.405 1.949 1.00 5.36 H new ATOM 0 HG SER B 16 -17.235 -7.055 0.726 1.00 5.53 H new ATOM 1368 N LEU B 17 -12.964 -7.809 2.103 1.00 5.11 N ATOM 1369 CA LEU B 17 -11.624 -8.297 2.378 1.00 5.45 C ATOM 1370 C LEU B 17 -10.936 -7.418 3.412 1.00 5.30 C ATOM 1371 O LEU B 17 -10.084 -7.881 4.162 1.00 5.77 O ATOM 1372 CB LEU B 17 -10.789 -8.328 1.098 1.00 5.21 C ATOM 1373 CG LEU B 17 -11.330 -9.225 -0.018 1.00 5.62 C ATOM 1374 CD1 LEU B 17 -10.435 -9.142 -1.240 1.00 5.51 C ATOM 1375 CD2 LEU B 17 -11.452 -10.664 0.463 1.00 6.49 C ATOM 0 H LEU B 17 -13.054 -7.265 1.245 1.00 5.11 H new ATOM 0 HA LEU B 17 -11.710 -9.310 2.772 1.00 5.45 H new ATOM 0 HB2 LEU B 17 -10.705 -7.311 0.715 1.00 5.21 H new ATOM 0 HB3 LEU B 17 -9.781 -8.658 1.350 1.00 5.21 H new ATOM 0 HG LEU B 17 -12.324 -8.874 -0.294 1.00 5.62 H new ATOM 0 HD11 LEU B 17 -10.832 -9.785 -2.026 1.00 5.51 H new ATOM 0 HD12 LEU B 17 -10.400 -8.112 -1.596 1.00 5.51 H new ATOM 0 HD13 LEU B 17 -9.429 -9.469 -0.977 1.00 5.51 H new ATOM 0 HD21 LEU B 17 -11.838 -11.286 -0.344 1.00 6.49 H new ATOM 0 HD22 LEU B 17 -10.471 -11.031 0.766 1.00 6.49 H new ATOM 0 HD23 LEU B 17 -12.134 -10.707 1.312 1.00 6.49 H new ATOM 1387 N GLY B 18 -11.347 -6.163 3.474 1.00 4.72 N ATOM 1388 CA GLY B 18 -10.773 -5.241 4.429 1.00 4.73 C ATOM 1389 C GLY B 18 -9.498 -4.601 3.922 1.00 4.26 C ATOM 1390 O GLY B 18 -8.587 -4.318 4.701 1.00 4.55 O ATOM 0 H GLY B 18 -12.072 -5.764 2.877 1.00 4.72 H new ATOM 0 HA2 GLY B 18 -11.500 -4.462 4.660 1.00 4.73 H new ATOM 0 HA3 GLY B 18 -10.566 -5.769 5.360 1.00 4.73 H new ATOM 1394 N VAL B 19 -9.427 -4.381 2.612 1.00 3.60 N ATOM 1395 CA VAL B 19 -8.293 -3.680 2.020 1.00 3.07 C ATOM 1396 C VAL B 19 -8.424 -2.191 2.304 1.00 2.71 C ATOM 1397 O VAL B 19 -9.248 -1.511 1.699 1.00 2.39 O ATOM 1398 CB VAL B 19 -8.204 -3.908 0.494 1.00 2.62 C ATOM 1399 CG1 VAL B 19 -7.025 -3.150 -0.097 1.00 2.10 C ATOM 1400 CG2 VAL B 19 -8.102 -5.393 0.177 1.00 3.34 C ATOM 0 H VAL B 19 -10.138 -4.677 1.943 1.00 3.60 H new ATOM 0 HA VAL B 19 -7.381 -4.077 2.467 1.00 3.07 H new ATOM 0 HB VAL B 19 -9.117 -3.524 0.039 1.00 2.62 H new ATOM 0 HG11 VAL B 19 -6.982 -3.325 -1.172 1.00 2.10 H new ATOM 0 HG12 VAL B 19 -7.146 -2.083 0.092 1.00 2.10 H new ATOM 0 HG13 VAL B 19 -6.101 -3.498 0.365 1.00 2.10 H new ATOM 0 HG21 VAL B 19 -8.040 -5.531 -0.902 1.00 3.34 H new ATOM 0 HG22 VAL B 19 -7.209 -5.805 0.647 1.00 3.34 H new ATOM 0 HG23 VAL B 19 -8.983 -5.908 0.559 1.00 3.34 H new ATOM 1410 N ARG B 20 -7.627 -1.692 3.234 1.00 2.95 N ATOM 1411 CA ARG B 20 -7.793 -0.328 3.711 1.00 3.09 C ATOM 1412 C ARG B 20 -6.648 0.568 3.274 1.00 2.88 C ATOM 1413 O ARG B 20 -5.481 0.187 3.345 1.00 2.99 O ATOM 1414 CB ARG B 20 -7.908 -0.307 5.234 1.00 3.99 C ATOM 1415 CG ARG B 20 -9.073 -1.119 5.763 1.00 4.33 C ATOM 1416 CD ARG B 20 -9.180 -1.017 7.273 1.00 5.13 C ATOM 1417 NE ARG B 20 -10.298 -1.804 7.787 1.00 5.49 N ATOM 1418 CZ ARG B 20 -11.227 -1.335 8.617 1.00 6.26 C ATOM 1419 NH1 ARG B 20 -11.140 -0.101 9.106 1.00 6.80 N ATOM 1420 NH2 ARG B 20 -12.232 -2.116 8.979 1.00 6.67 N ATOM 0 H ARG B 20 -6.863 -2.207 3.672 1.00 2.95 H new ATOM 0 HA ARG B 20 -8.711 0.059 3.269 1.00 3.09 H new ATOM 0 HB2 ARG B 20 -6.983 -0.689 5.666 1.00 3.99 H new ATOM 0 HB3 ARG B 20 -8.013 0.725 5.568 1.00 3.99 H new ATOM 0 HG2 ARG B 20 -9.999 -0.769 5.307 1.00 4.33 H new ATOM 0 HG3 ARG B 20 -8.951 -2.163 5.475 1.00 4.33 H new ATOM 0 HD2 ARG B 20 -8.252 -1.362 7.728 1.00 5.13 H new ATOM 0 HD3 ARG B 20 -9.307 0.027 7.560 1.00 5.13 H new ATOM 0 HE ARG B 20 -10.372 -2.777 7.490 1.00 5.49 H new ATOM 0 HH11 ARG B 20 -10.355 0.497 8.846 1.00 6.80 H new ATOM 0 HH12 ARG B 20 -11.858 0.248 9.741 1.00 6.80 H new ATOM 0 HH21 ARG B 20 -12.291 -3.070 8.622 1.00 6.67 H new ATOM 0 HH22 ARG B 20 -12.948 -1.764 9.615 1.00 6.67 H new ATOM 1434 N LEU B 21 -7.001 1.751 2.803 1.00 2.77 N ATOM 1435 CA LEU B 21 -6.035 2.796 2.514 1.00 2.92 C ATOM 1436 C LEU B 21 -6.505 4.091 3.149 1.00 3.68 C ATOM 1437 O LEU B 21 -7.701 4.373 3.169 1.00 3.80 O ATOM 1438 CB LEU B 21 -5.851 3.010 1.008 1.00 2.28 C ATOM 1439 CG LEU B 21 -5.090 1.912 0.264 1.00 1.58 C ATOM 1440 CD1 LEU B 21 -6.014 0.769 -0.124 1.00 1.07 C ATOM 1441 CD2 LEU B 21 -4.400 2.490 -0.960 1.00 1.46 C ATOM 0 H LEU B 21 -7.967 2.014 2.610 1.00 2.77 H new ATOM 0 HA LEU B 21 -5.073 2.488 2.925 1.00 2.92 H new ATOM 0 HB2 LEU B 21 -6.836 3.115 0.553 1.00 2.28 H new ATOM 0 HB3 LEU B 21 -5.328 3.954 0.856 1.00 2.28 H new ATOM 0 HG LEU B 21 -4.331 1.508 0.934 1.00 1.58 H new ATOM 0 HD11 LEU B 21 -5.444 0.004 -0.651 1.00 1.07 H new ATOM 0 HD12 LEU B 21 -6.456 0.338 0.774 1.00 1.07 H new ATOM 0 HD13 LEU B 21 -6.805 1.145 -0.773 1.00 1.07 H new ATOM 0 HD21 LEU B 21 -3.861 1.699 -1.482 1.00 1.46 H new ATOM 0 HD22 LEU B 21 -5.145 2.923 -1.627 1.00 1.46 H new ATOM 0 HD23 LEU B 21 -3.698 3.264 -0.650 1.00 1.46 H new ATOM 1453 N TRP B 22 -5.574 4.856 3.697 1.00 4.27 N ATOM 1454 CA TRP B 22 -5.896 6.158 4.264 1.00 5.07 C ATOM 1455 C TRP B 22 -4.637 7.007 4.349 1.00 5.46 C ATOM 1456 O TRP B 22 -3.558 6.495 4.629 1.00 5.34 O ATOM 1457 CB TRP B 22 -6.551 6.013 5.650 1.00 5.66 C ATOM 1458 CG TRP B 22 -5.650 5.451 6.713 1.00 5.95 C ATOM 1459 CD1 TRP B 22 -4.976 6.160 7.663 1.00 6.65 C ATOM 1460 CD2 TRP B 22 -5.327 4.071 6.939 1.00 5.65 C ATOM 1461 NE1 TRP B 22 -4.256 5.314 8.464 1.00 6.80 N ATOM 1462 CE2 TRP B 22 -4.452 4.026 8.038 1.00 6.24 C ATOM 1463 CE3 TRP B 22 -5.689 2.874 6.316 1.00 5.04 C ATOM 1464 CZ2 TRP B 22 -3.936 2.831 8.531 1.00 6.30 C ATOM 1465 CZ3 TRP B 22 -5.177 1.687 6.804 1.00 5.15 C ATOM 1466 CH2 TRP B 22 -4.308 1.673 7.903 1.00 5.80 C ATOM 0 H TRP B 22 -4.589 4.599 3.762 1.00 4.27 H new ATOM 0 HA TRP B 22 -6.615 6.654 3.611 1.00 5.07 H new ATOM 0 HB2 TRP B 22 -6.906 6.991 5.973 1.00 5.66 H new ATOM 0 HB3 TRP B 22 -7.427 5.371 5.558 1.00 5.66 H new ATOM 0 HD1 TRP B 22 -5.006 7.234 7.769 1.00 6.65 H new ATOM 0 HE1 TRP B 22 -3.670 5.596 9.249 1.00 6.80 H new ATOM 0 HE3 TRP B 22 -6.357 2.876 5.468 1.00 5.04 H new ATOM 0 HZ2 TRP B 22 -3.266 2.818 9.378 1.00 6.30 H new ATOM 0 HZ3 TRP B 22 -5.451 0.756 6.331 1.00 5.15 H new ATOM 0 HH2 TRP B 22 -3.924 0.730 8.262 1.00 5.80 H new ATOM 1477 N VAL B 23 -4.762 8.294 4.076 1.00 5.98 N ATOM 1478 CA VAL B 23 -3.622 9.190 4.188 1.00 6.42 C ATOM 1479 C VAL B 23 -3.497 9.690 5.624 1.00 7.21 C ATOM 1480 O VAL B 23 -4.381 10.369 6.144 1.00 7.74 O ATOM 1481 CB VAL B 23 -3.708 10.373 3.190 1.00 6.77 C ATOM 1482 CG1 VAL B 23 -5.031 11.115 3.316 1.00 7.35 C ATOM 1483 CG2 VAL B 23 -2.537 11.325 3.383 1.00 7.25 C ATOM 0 H VAL B 23 -5.630 8.739 3.778 1.00 5.98 H new ATOM 0 HA VAL B 23 -2.725 8.628 3.927 1.00 6.42 H new ATOM 0 HB VAL B 23 -3.656 9.960 2.183 1.00 6.77 H new ATOM 0 HG11 VAL B 23 -5.056 11.938 2.601 1.00 7.35 H new ATOM 0 HG12 VAL B 23 -5.853 10.430 3.110 1.00 7.35 H new ATOM 0 HG13 VAL B 23 -5.132 11.509 4.327 1.00 7.35 H new ATOM 0 HG21 VAL B 23 -2.616 12.148 2.673 1.00 7.25 H new ATOM 0 HG22 VAL B 23 -2.552 11.720 4.399 1.00 7.25 H new ATOM 0 HG23 VAL B 23 -1.602 10.790 3.216 1.00 7.25 H new ATOM 1493 N GLU B 24 -2.402 9.327 6.270 1.00 7.30 N ATOM 1494 CA GLU B 24 -2.208 9.654 7.670 1.00 8.08 C ATOM 1495 C GLU B 24 -1.076 10.660 7.815 1.00 8.45 C ATOM 1496 O GLU B 24 0.100 10.317 7.668 1.00 8.09 O ATOM 1497 CB GLU B 24 -1.904 8.379 8.456 1.00 7.99 C ATOM 1498 CG GLU B 24 -2.092 8.502 9.959 1.00 8.87 C ATOM 1499 CD GLU B 24 -1.847 7.184 10.671 1.00 9.06 C ATOM 1500 OE1 GLU B 24 -2.593 6.210 10.413 1.00 9.18 O ATOM 1501 OE2 GLU B 24 -0.909 7.113 11.487 1.00 9.44 O ATOM 0 H GLU B 24 -1.634 8.806 5.846 1.00 7.30 H new ATOM 0 HA GLU B 24 -3.118 10.102 8.070 1.00 8.08 H new ATOM 0 HB2 GLU B 24 -2.546 7.579 8.087 1.00 7.99 H new ATOM 0 HB3 GLU B 24 -0.875 8.081 8.255 1.00 7.99 H new ATOM 0 HG2 GLU B 24 -1.410 9.257 10.349 1.00 8.87 H new ATOM 0 HG3 GLU B 24 -3.104 8.846 10.171 1.00 8.87 H new ATOM 1508 N GLY B 25 -1.444 11.910 8.058 1.00 9.20 N ATOM 1509 CA GLY B 25 -0.461 12.960 8.212 1.00 9.66 C ATOM 1510 C GLY B 25 0.195 13.332 6.898 1.00 9.29 C ATOM 1511 O GLY B 25 -0.300 14.189 6.165 1.00 9.46 O ATOM 0 H GLY B 25 -2.413 12.216 8.152 1.00 9.20 H new ATOM 0 HA2 GLY B 25 -0.939 13.842 8.639 1.00 9.66 H new ATOM 0 HA3 GLY B 25 0.304 12.638 8.919 1.00 9.66 H new ATOM 1515 N GLU B 26 1.297 12.669 6.589 1.00 8.83 N ATOM 1516 CA GLU B 26 2.060 12.970 5.390 1.00 8.54 C ATOM 1517 C GLU B 26 2.052 11.784 4.428 1.00 7.58 C ATOM 1518 O GLU B 26 2.114 11.956 3.209 1.00 7.39 O ATOM 1519 CB GLU B 26 3.504 13.315 5.773 1.00 8.75 C ATOM 1520 CG GLU B 26 4.403 13.647 4.593 1.00 9.32 C ATOM 1521 CD GLU B 26 4.007 14.934 3.900 1.00 8.94 C ATOM 1522 OE1 GLU B 26 4.411 16.013 4.376 1.00 9.25 O ATOM 1523 OE2 GLU B 26 3.300 14.872 2.873 1.00 9.09 O ATOM 0 H GLU B 26 1.685 11.915 7.156 1.00 8.83 H new ATOM 0 HA GLU B 26 1.598 13.822 4.890 1.00 8.54 H new ATOM 0 HB2 GLU B 26 3.493 14.164 6.456 1.00 8.75 H new ATOM 0 HB3 GLU B 26 3.934 12.474 6.317 1.00 8.75 H new ATOM 0 HG2 GLU B 26 5.434 13.727 4.938 1.00 9.32 H new ATOM 0 HG3 GLU B 26 4.370 12.828 3.875 1.00 9.32 H new ATOM 1530 N ARG B 27 1.950 10.582 4.966 1.00 7.08 N ATOM 1531 CA ARG B 27 2.170 9.395 4.156 1.00 6.17 C ATOM 1532 C ARG B 27 0.901 8.562 4.023 1.00 5.81 C ATOM 1533 O ARG B 27 0.143 8.399 4.981 1.00 6.17 O ATOM 1534 CB ARG B 27 3.311 8.567 4.757 1.00 5.82 C ATOM 1535 CG ARG B 27 3.851 7.487 3.831 1.00 5.05 C ATOM 1536 CD ARG B 27 4.263 8.059 2.478 1.00 5.18 C ATOM 1537 NE ARG B 27 5.464 8.890 2.565 1.00 5.89 N ATOM 1538 CZ ARG B 27 5.556 10.133 2.088 1.00 6.56 C ATOM 1539 NH1 ARG B 27 4.504 10.721 1.530 1.00 6.63 N ATOM 1540 NH2 ARG B 27 6.704 10.788 2.175 1.00 7.34 N ATOM 0 H ARG B 27 1.720 10.402 5.943 1.00 7.08 H new ATOM 0 HA ARG B 27 2.449 9.710 3.151 1.00 6.17 H new ATOM 0 HB2 ARG B 27 4.126 9.237 5.030 1.00 5.82 H new ATOM 0 HB3 ARG B 27 2.960 8.099 5.677 1.00 5.82 H new ATOM 0 HG2 ARG B 27 4.709 7.003 4.298 1.00 5.05 H new ATOM 0 HG3 ARG B 27 3.091 6.719 3.685 1.00 5.05 H new ATOM 0 HD2 ARG B 27 4.441 7.241 1.780 1.00 5.18 H new ATOM 0 HD3 ARG B 27 3.443 8.652 2.073 1.00 5.18 H new ATOM 0 HE ARG B 27 6.286 8.493 3.021 1.00 5.89 H new ATOM 0 HH11 ARG B 27 3.617 10.222 1.463 1.00 6.63 H new ATOM 0 HH12 ARG B 27 4.583 11.671 1.168 1.00 6.63 H new ATOM 0 HH21 ARG B 27 7.514 10.342 2.606 1.00 7.34 H new ATOM 0 HH22 ARG B 27 6.778 11.738 1.811 1.00 7.34 H new ATOM 1554 N LEU B 28 0.673 8.057 2.811 1.00 5.18 N ATOM 1555 CA LEU B 28 -0.444 7.170 2.530 1.00 4.75 C ATOM 1556 C LEU B 28 -0.211 5.841 3.236 1.00 4.35 C ATOM 1557 O LEU B 28 0.842 5.225 3.079 1.00 3.95 O ATOM 1558 CB LEU B 28 -0.574 6.976 1.002 1.00 4.29 C ATOM 1559 CG LEU B 28 -1.847 6.275 0.486 1.00 3.68 C ATOM 1560 CD1 LEU B 28 -1.802 4.773 0.732 1.00 3.48 C ATOM 1561 CD2 LEU B 28 -3.085 6.885 1.126 1.00 3.83 C ATOM 0 H LEU B 28 1.260 8.254 2.000 1.00 5.18 H new ATOM 0 HA LEU B 28 -1.375 7.601 2.899 1.00 4.75 H new ATOM 0 HB2 LEU B 28 -0.514 7.957 0.531 1.00 4.29 H new ATOM 0 HB3 LEU B 28 0.289 6.405 0.659 1.00 4.29 H new ATOM 0 HG LEU B 28 -1.896 6.429 -0.592 1.00 3.68 H new ATOM 0 HD11 LEU B 28 -2.716 4.315 0.355 1.00 3.48 H new ATOM 0 HD12 LEU B 28 -0.942 4.345 0.216 1.00 3.48 H new ATOM 0 HD13 LEU B 28 -1.715 4.582 1.802 1.00 3.48 H new ATOM 0 HD21 LEU B 28 -3.975 6.379 0.751 1.00 3.83 H new ATOM 0 HD22 LEU B 28 -3.030 6.769 2.208 1.00 3.83 H new ATOM 0 HD23 LEU B 28 -3.138 7.945 0.877 1.00 3.83 H new ATOM 1573 N ARG B 29 -1.184 5.417 4.023 1.00 4.62 N ATOM 1574 CA ARG B 29 -1.070 4.191 4.793 1.00 4.54 C ATOM 1575 C ARG B 29 -1.870 3.086 4.123 1.00 3.87 C ATOM 1576 O ARG B 29 -3.008 3.301 3.700 1.00 3.74 O ATOM 1577 CB ARG B 29 -1.586 4.427 6.209 1.00 5.38 C ATOM 1578 CG ARG B 29 -1.020 5.680 6.850 1.00 6.16 C ATOM 1579 CD ARG B 29 0.372 5.462 7.413 1.00 6.30 C ATOM 1580 NE ARG B 29 0.325 4.760 8.692 1.00 6.97 N ATOM 1581 CZ ARG B 29 1.378 4.556 9.480 1.00 7.39 C ATOM 1582 NH1 ARG B 29 2.589 4.951 9.107 1.00 7.29 N ATOM 1583 NH2 ARG B 29 1.213 3.961 10.652 1.00 8.07 N ATOM 0 H ARG B 29 -2.069 5.909 4.146 1.00 4.62 H new ATOM 0 HA ARG B 29 -0.024 3.889 4.840 1.00 4.54 H new ATOM 0 HB2 ARG B 29 -2.673 4.498 6.185 1.00 5.38 H new ATOM 0 HB3 ARG B 29 -1.336 3.565 6.828 1.00 5.38 H new ATOM 0 HG2 ARG B 29 -0.989 6.481 6.111 1.00 6.16 H new ATOM 0 HG3 ARG B 29 -1.685 6.009 7.649 1.00 6.16 H new ATOM 0 HD2 ARG B 29 0.968 4.888 6.703 1.00 6.30 H new ATOM 0 HD3 ARG B 29 0.869 6.424 7.542 1.00 6.30 H new ATOM 0 HE ARG B 29 -0.577 4.401 9.003 1.00 6.97 H new ATOM 0 HH11 ARG B 29 2.720 5.416 8.209 1.00 7.29 H new ATOM 0 HH12 ARG B 29 3.389 4.790 9.719 1.00 7.29 H new ATOM 0 HH21 ARG B 29 0.283 3.662 10.946 1.00 8.07 H new ATOM 0 HH22 ARG B 29 2.016 3.802 11.261 1.00 8.07 H new ATOM 1597 N PHE B 30 -1.270 1.913 4.032 1.00 3.54 N ATOM 1598 CA PHE B 30 -1.889 0.785 3.359 1.00 3.01 C ATOM 1599 C PHE B 30 -2.062 -0.366 4.346 1.00 3.62 C ATOM 1600 O PHE B 30 -1.135 -0.694 5.086 1.00 4.16 O ATOM 1601 CB PHE B 30 -0.999 0.345 2.194 1.00 2.37 C ATOM 1602 CG PHE B 30 -1.735 -0.210 1.003 1.00 1.77 C ATOM 1603 CD1 PHE B 30 -2.527 -1.342 1.111 1.00 2.01 C ATOM 1604 CD2 PHE B 30 -1.622 0.405 -0.235 1.00 1.94 C ATOM 1605 CE1 PHE B 30 -3.191 -1.847 0.007 1.00 1.96 C ATOM 1606 CE2 PHE B 30 -2.280 -0.096 -1.341 1.00 1.84 C ATOM 1607 CZ PHE B 30 -3.068 -1.223 -1.220 1.00 1.59 C ATOM 0 H PHE B 30 -0.347 1.716 4.419 1.00 3.54 H new ATOM 0 HA PHE B 30 -2.868 1.075 2.977 1.00 3.01 H new ATOM 0 HB2 PHE B 30 -0.404 1.199 1.869 1.00 2.37 H new ATOM 0 HB3 PHE B 30 -0.301 -0.411 2.555 1.00 2.37 H new ATOM 0 HD1 PHE B 30 -2.627 -1.835 2.067 1.00 2.01 H new ATOM 0 HD2 PHE B 30 -1.010 1.289 -0.336 1.00 1.94 H new ATOM 0 HE1 PHE B 30 -3.806 -2.730 0.104 1.00 1.96 H new ATOM 0 HE2 PHE B 30 -2.178 0.393 -2.299 1.00 1.84 H new ATOM 0 HZ PHE B 30 -3.587 -1.616 -2.082 1.00 1.59 H new ATOM 1617 N GLN B 31 -3.246 -0.956 4.373 1.00 3.62 N ATOM 1618 CA GLN B 31 -3.498 -2.125 5.198 1.00 4.28 C ATOM 1619 C GLN B 31 -4.110 -3.228 4.353 1.00 4.09 C ATOM 1620 O GLN B 31 -5.294 -3.178 4.012 1.00 3.68 O ATOM 1621 CB GLN B 31 -4.423 -1.779 6.367 1.00 4.83 C ATOM 1622 CG GLN B 31 -4.666 -2.938 7.323 1.00 5.54 C ATOM 1623 CD GLN B 31 -3.387 -3.434 7.979 1.00 6.28 C ATOM 1624 OE1 GLN B 31 -2.744 -4.420 7.369 1.00 6.66 O flip ATOM 1625 NE2 GLN B 31 -2.992 -2.949 9.038 1.00 6.72 N flip ATOM 0 H GLN B 31 -4.051 -0.642 3.830 1.00 3.62 H new ATOM 0 HA GLN B 31 -2.549 -2.471 5.608 1.00 4.28 H new ATOM 0 HB2 GLN B 31 -3.994 -0.946 6.923 1.00 4.83 H new ATOM 0 HB3 GLN B 31 -5.380 -1.439 5.972 1.00 4.83 H new ATOM 0 HG2 GLN B 31 -5.368 -2.625 8.096 1.00 5.54 H new ATOM 0 HG3 GLN B 31 -5.134 -3.760 6.780 1.00 5.54 H new ATOM 0 HE21 GLN B 31 -3.514 -2.191 9.478 1.00 6.72 H new ATOM 0 HE22 GLN B 31 -2.143 -3.305 9.476 1.00 6.72 H new ATOM 1634 N ALA B 32 -3.294 -4.205 3.998 1.00 4.50 N ATOM 1635 CA ALA B 32 -3.746 -5.306 3.171 1.00 4.62 C ATOM 1636 C ALA B 32 -3.665 -6.629 3.918 1.00 5.46 C ATOM 1637 O ALA B 32 -2.607 -7.011 4.407 1.00 5.75 O ATOM 1638 CB ALA B 32 -2.924 -5.371 1.895 1.00 4.15 C ATOM 0 H ALA B 32 -2.313 -4.257 4.271 1.00 4.50 H new ATOM 0 HA ALA B 32 -4.791 -5.130 2.915 1.00 4.62 H new ATOM 0 HB1 ALA B 32 -3.271 -6.202 1.280 1.00 4.15 H new ATOM 0 HB2 ALA B 32 -3.036 -4.438 1.342 1.00 4.15 H new ATOM 0 HB3 ALA B 32 -1.874 -5.520 2.146 1.00 4.15 H new ATOM 1644 N PRO B 33 -4.799 -7.331 4.036 1.00 5.89 N ATOM 1645 CA PRO B 33 -4.838 -8.689 4.591 1.00 6.71 C ATOM 1646 C PRO B 33 -4.015 -9.668 3.752 1.00 6.87 C ATOM 1647 O PRO B 33 -3.758 -9.423 2.568 1.00 6.45 O ATOM 1648 CB PRO B 33 -6.324 -9.058 4.541 1.00 6.98 C ATOM 1649 CG PRO B 33 -7.040 -7.754 4.460 1.00 6.45 C ATOM 1650 CD PRO B 33 -6.141 -6.849 3.674 1.00 5.63 C ATOM 0 HA PRO B 33 -4.414 -8.735 5.594 1.00 6.71 H new ATOM 0 HB2 PRO B 33 -6.547 -9.685 3.678 1.00 6.98 H new ATOM 0 HB3 PRO B 33 -6.622 -9.618 5.427 1.00 6.98 H new ATOM 0 HG2 PRO B 33 -8.007 -7.868 3.970 1.00 6.45 H new ATOM 0 HG3 PRO B 33 -7.232 -7.350 5.454 1.00 6.45 H new ATOM 0 HD2 PRO B 33 -6.324 -6.928 2.602 1.00 5.63 H new ATOM 0 HD3 PRO B 33 -6.282 -5.803 3.945 1.00 5.63 H new ATOM 1658 N PRO B 34 -3.600 -10.795 4.345 1.00 7.55 N ATOM 1659 CA PRO B 34 -2.725 -11.757 3.675 1.00 7.81 C ATOM 1660 C PRO B 34 -3.385 -12.413 2.465 1.00 8.02 C ATOM 1661 O PRO B 34 -4.470 -12.993 2.570 1.00 8.45 O ATOM 1662 CB PRO B 34 -2.435 -12.802 4.758 1.00 8.57 C ATOM 1663 CG PRO B 34 -3.552 -12.671 5.735 1.00 8.85 C ATOM 1664 CD PRO B 34 -3.955 -11.225 5.710 1.00 8.16 C ATOM 0 HA PRO B 34 -1.831 -11.275 3.280 1.00 7.81 H new ATOM 0 HB2 PRO B 34 -2.396 -13.806 4.336 1.00 8.57 H new ATOM 0 HB3 PRO B 34 -1.472 -12.619 5.234 1.00 8.57 H new ATOM 0 HG2 PRO B 34 -4.388 -13.314 5.460 1.00 8.85 H new ATOM 0 HG3 PRO B 34 -3.234 -12.970 6.734 1.00 8.85 H new ATOM 0 HD2 PRO B 34 -5.020 -11.101 5.906 1.00 8.16 H new ATOM 0 HD3 PRO B 34 -3.423 -10.646 6.465 1.00 8.16 H new ATOM 1672 N GLY B 35 -2.738 -12.285 1.312 1.00 7.75 N ATOM 1673 CA GLY B 35 -3.176 -12.997 0.128 1.00 8.09 C ATOM 1674 C GLY B 35 -4.021 -12.158 -0.813 1.00 7.59 C ATOM 1675 O GLY B 35 -3.889 -12.270 -2.026 1.00 7.78 O ATOM 0 H GLY B 35 -1.915 -11.698 1.177 1.00 7.75 H new ATOM 0 HA2 GLY B 35 -2.301 -13.360 -0.411 1.00 8.09 H new ATOM 0 HA3 GLY B 35 -3.749 -13.873 0.433 1.00 8.09 H new ATOM 1679 N VAL B 36 -4.864 -11.294 -0.259 1.00 7.00 N ATOM 1680 CA VAL B 36 -5.860 -10.573 -1.062 1.00 6.54 C ATOM 1681 C VAL B 36 -5.234 -9.492 -1.946 1.00 5.96 C ATOM 1682 O VAL B 36 -5.876 -8.982 -2.857 1.00 5.81 O ATOM 1683 CB VAL B 36 -6.945 -9.929 -0.171 1.00 6.15 C ATOM 1684 CG1 VAL B 36 -7.640 -10.986 0.675 1.00 6.78 C ATOM 1685 CG2 VAL B 36 -6.350 -8.843 0.712 1.00 5.59 C ATOM 0 H VAL B 36 -4.883 -11.073 0.737 1.00 7.00 H new ATOM 0 HA VAL B 36 -6.316 -11.322 -1.709 1.00 6.54 H new ATOM 0 HB VAL B 36 -7.686 -9.466 -0.822 1.00 6.15 H new ATOM 0 HG11 VAL B 36 -8.401 -10.513 1.296 1.00 6.78 H new ATOM 0 HG12 VAL B 36 -8.110 -11.722 0.023 1.00 6.78 H new ATOM 0 HG13 VAL B 36 -6.908 -11.481 1.313 1.00 6.78 H new ATOM 0 HG21 VAL B 36 -7.135 -8.406 1.329 1.00 5.59 H new ATOM 0 HG22 VAL B 36 -5.582 -9.276 1.354 1.00 5.59 H new ATOM 0 HG23 VAL B 36 -5.906 -8.068 0.087 1.00 5.59 H new ATOM 1695 N MET B 37 -3.976 -9.173 -1.691 1.00 5.73 N ATOM 1696 CA MET B 37 -3.298 -8.095 -2.408 1.00 5.13 C ATOM 1697 C MET B 37 -2.681 -8.596 -3.719 1.00 5.49 C ATOM 1698 O MET B 37 -1.733 -8.012 -4.233 1.00 5.20 O ATOM 1699 CB MET B 37 -2.245 -7.433 -1.514 1.00 4.75 C ATOM 1700 CG MET B 37 -1.725 -6.105 -2.057 1.00 4.01 C ATOM 1701 SD MET B 37 -3.032 -5.059 -2.738 1.00 3.52 S ATOM 1702 CE MET B 37 -4.157 -4.938 -1.355 1.00 3.19 C ATOM 0 H MET B 37 -3.399 -9.643 -0.993 1.00 5.73 H new ATOM 0 HA MET B 37 -4.043 -7.343 -2.669 1.00 5.13 H new ATOM 0 HB2 MET B 37 -2.673 -7.268 -0.525 1.00 4.75 H new ATOM 0 HB3 MET B 37 -1.406 -8.117 -1.388 1.00 4.75 H new ATOM 0 HG2 MET B 37 -1.216 -5.566 -1.258 1.00 4.01 H new ATOM 0 HG3 MET B 37 -0.984 -6.301 -2.832 1.00 4.01 H new ATOM 0 HE1 MET B 37 -4.956 -4.236 -1.596 1.00 3.19 H new ATOM 0 HE2 MET B 37 -4.586 -5.919 -1.148 1.00 3.19 H new ATOM 0 HE3 MET B 37 -3.617 -4.585 -0.476 1.00 3.19 H new ATOM 1712 N THR B 38 -3.208 -9.704 -4.232 1.00 6.18 N ATOM 1713 CA THR B 38 -2.763 -10.254 -5.511 1.00 6.68 C ATOM 1714 C THR B 38 -2.715 -9.166 -6.592 1.00 6.35 C ATOM 1715 O THR B 38 -3.565 -8.276 -6.618 1.00 5.90 O ATOM 1716 CB THR B 38 -3.711 -11.377 -5.978 1.00 7.43 C ATOM 1717 OG1 THR B 38 -5.072 -10.930 -5.903 1.00 7.27 O ATOM 1718 CG2 THR B 38 -3.535 -12.626 -5.130 1.00 7.96 C ATOM 0 H THR B 38 -3.947 -10.242 -3.780 1.00 6.18 H new ATOM 0 HA THR B 38 -1.761 -10.657 -5.362 1.00 6.68 H new ATOM 0 HB THR B 38 -3.464 -11.624 -7.011 1.00 7.43 H new ATOM 0 HG1 THR B 38 -5.669 -11.647 -6.203 1.00 7.27 H new ATOM 0 HG21 THR B 38 -4.215 -13.402 -5.480 1.00 7.96 H new ATOM 0 HG22 THR B 38 -2.507 -12.980 -5.212 1.00 7.96 H new ATOM 0 HG23 THR B 38 -3.756 -12.393 -4.088 1.00 7.96 H new ATOM 1726 N PRO B 39 -1.721 -9.233 -7.496 1.00 6.65 N ATOM 1727 CA PRO B 39 -1.492 -8.202 -8.521 1.00 6.53 C ATOM 1728 C PRO B 39 -2.732 -7.894 -9.362 1.00 6.66 C ATOM 1729 O PRO B 39 -2.874 -6.784 -9.882 1.00 6.35 O ATOM 1730 CB PRO B 39 -0.389 -8.801 -9.391 1.00 7.19 C ATOM 1731 CG PRO B 39 0.325 -9.747 -8.492 1.00 7.30 C ATOM 1732 CD PRO B 39 -0.729 -10.321 -7.589 1.00 7.21 C ATOM 0 HA PRO B 39 -1.230 -7.246 -8.067 1.00 6.53 H new ATOM 0 HB2 PRO B 39 -0.803 -9.315 -10.259 1.00 7.19 H new ATOM 0 HB3 PRO B 39 0.282 -8.029 -9.768 1.00 7.19 H new ATOM 0 HG2 PRO B 39 0.821 -10.532 -9.063 1.00 7.30 H new ATOM 0 HG3 PRO B 39 1.097 -9.235 -7.917 1.00 7.30 H new ATOM 0 HD2 PRO B 39 -1.165 -11.229 -8.005 1.00 7.21 H new ATOM 0 HD3 PRO B 39 -0.324 -10.581 -6.611 1.00 7.21 H new ATOM 1740 N GLU B 40 -3.619 -8.870 -9.502 1.00 7.16 N ATOM 1741 CA GLU B 40 -4.871 -8.659 -10.214 1.00 7.32 C ATOM 1742 C GLU B 40 -5.752 -7.682 -9.440 1.00 6.59 C ATOM 1743 O GLU B 40 -6.224 -6.689 -9.991 1.00 6.46 O ATOM 1744 CB GLU B 40 -5.603 -9.989 -10.420 1.00 7.95 C ATOM 1745 CG GLU B 40 -6.852 -9.865 -11.275 1.00 8.17 C ATOM 1746 CD GLU B 40 -7.536 -11.195 -11.496 1.00 8.67 C ATOM 1747 OE1 GLU B 40 -7.108 -11.940 -12.401 1.00 9.22 O ATOM 1748 OE2 GLU B 40 -8.500 -11.502 -10.765 1.00 8.70 O ATOM 0 H GLU B 40 -3.495 -9.813 -9.133 1.00 7.16 H new ATOM 0 HA GLU B 40 -4.649 -8.235 -11.193 1.00 7.32 H new ATOM 0 HB2 GLU B 40 -4.922 -10.701 -10.886 1.00 7.95 H new ATOM 0 HB3 GLU B 40 -5.877 -10.399 -9.448 1.00 7.95 H new ATOM 0 HG2 GLU B 40 -7.549 -9.177 -10.797 1.00 8.17 H new ATOM 0 HG3 GLU B 40 -6.587 -9.432 -12.239 1.00 8.17 H new ATOM 1755 N LEU B 41 -5.938 -7.952 -8.150 1.00 6.17 N ATOM 1756 CA LEU B 41 -6.728 -7.078 -7.287 1.00 5.47 C ATOM 1757 C LEU B 41 -6.017 -5.739 -7.117 1.00 4.86 C ATOM 1758 O LEU B 41 -6.659 -4.693 -7.004 1.00 4.46 O ATOM 1759 CB LEU B 41 -6.965 -7.749 -5.929 1.00 5.29 C ATOM 1760 CG LEU B 41 -7.934 -7.025 -4.990 1.00 4.67 C ATOM 1761 CD1 LEU B 41 -8.752 -8.035 -4.208 1.00 5.06 C ATOM 1762 CD2 LEU B 41 -7.178 -6.112 -4.034 1.00 4.24 C ATOM 0 H LEU B 41 -5.552 -8.770 -7.679 1.00 6.17 H new ATOM 0 HA LEU B 41 -7.698 -6.898 -7.749 1.00 5.47 H new ATOM 0 HB2 LEU B 41 -7.342 -8.757 -6.103 1.00 5.29 H new ATOM 0 HB3 LEU B 41 -6.005 -7.851 -5.422 1.00 5.29 H new ATOM 0 HG LEU B 41 -8.605 -6.412 -5.593 1.00 4.67 H new ATOM 0 HD11 LEU B 41 -9.438 -7.511 -3.543 1.00 5.06 H new ATOM 0 HD12 LEU B 41 -9.321 -8.656 -4.900 1.00 5.06 H new ATOM 0 HD13 LEU B 41 -8.086 -8.665 -3.619 1.00 5.06 H new ATOM 0 HD21 LEU B 41 -7.886 -5.608 -3.376 1.00 4.24 H new ATOM 0 HD22 LEU B 41 -6.486 -6.705 -3.436 1.00 4.24 H new ATOM 0 HD23 LEU B 41 -6.621 -5.369 -4.605 1.00 4.24 H new ATOM 1774 N GLN B 42 -4.689 -5.785 -7.111 1.00 4.84 N ATOM 1775 CA GLN B 42 -3.868 -4.580 -7.074 1.00 4.35 C ATOM 1776 C GLN B 42 -4.222 -3.677 -8.258 1.00 4.69 C ATOM 1777 O GLN B 42 -4.353 -2.459 -8.116 1.00 4.37 O ATOM 1778 CB GLN B 42 -2.383 -4.958 -7.129 1.00 4.43 C ATOM 1779 CG GLN B 42 -1.431 -3.785 -6.953 1.00 4.02 C ATOM 1780 CD GLN B 42 -1.350 -3.313 -5.515 1.00 3.27 C ATOM 1781 OE1 GLN B 42 -0.511 -3.783 -4.745 1.00 3.29 O ATOM 1782 NE2 GLN B 42 -2.218 -2.385 -5.140 1.00 3.09 N ATOM 0 H GLN B 42 -4.154 -6.653 -7.132 1.00 4.84 H new ATOM 0 HA GLN B 42 -4.062 -4.043 -6.145 1.00 4.35 H new ATOM 0 HB2 GLN B 42 -2.179 -5.696 -6.353 1.00 4.43 H new ATOM 0 HB3 GLN B 42 -2.177 -5.437 -8.086 1.00 4.43 H new ATOM 0 HG2 GLN B 42 -0.437 -4.074 -7.294 1.00 4.02 H new ATOM 0 HG3 GLN B 42 -1.757 -2.959 -7.585 1.00 4.02 H new ATOM 0 HE21 GLN B 42 -2.897 -2.022 -5.809 1.00 3.09 H new ATOM 0 HE22 GLN B 42 -2.207 -2.034 -4.182 1.00 3.09 H new ATOM 1791 N SER B 43 -4.390 -4.299 -9.423 1.00 5.44 N ATOM 1792 CA SER B 43 -4.765 -3.590 -10.639 1.00 5.93 C ATOM 1793 C SER B 43 -6.226 -3.151 -10.579 1.00 5.79 C ATOM 1794 O SER B 43 -6.604 -2.137 -11.170 1.00 5.94 O ATOM 1795 CB SER B 43 -4.525 -4.482 -11.862 1.00 6.77 C ATOM 1796 OG SER B 43 -4.861 -3.820 -13.071 1.00 7.35 O ATOM 0 H SER B 43 -4.270 -5.304 -9.548 1.00 5.44 H new ATOM 0 HA SER B 43 -4.145 -2.698 -10.726 1.00 5.93 H new ATOM 0 HB2 SER B 43 -3.478 -4.784 -11.892 1.00 6.77 H new ATOM 0 HB3 SER B 43 -5.117 -5.393 -11.770 1.00 6.77 H new ATOM 0 HG SER B 43 -4.694 -4.418 -13.829 1.00 7.35 H new ATOM 1802 N ARG B 44 -7.043 -3.918 -9.863 1.00 5.57 N ATOM 1803 CA ARG B 44 -8.449 -3.579 -9.686 1.00 5.41 C ATOM 1804 C ARG B 44 -8.591 -2.314 -8.850 1.00 4.69 C ATOM 1805 O ARG B 44 -9.455 -1.478 -9.121 1.00 4.71 O ATOM 1806 CB ARG B 44 -9.215 -4.740 -9.044 1.00 5.44 C ATOM 1807 CG ARG B 44 -9.323 -5.979 -9.929 1.00 6.25 C ATOM 1808 CD ARG B 44 -10.240 -5.758 -11.132 1.00 6.38 C ATOM 1809 NE ARG B 44 -9.699 -4.789 -12.087 1.00 7.03 N ATOM 1810 CZ ARG B 44 -10.281 -3.624 -12.372 1.00 7.53 C ATOM 1811 NH1 ARG B 44 -11.423 -3.285 -11.780 1.00 7.50 N ATOM 1812 NH2 ARG B 44 -9.726 -2.787 -13.243 1.00 8.28 N ATOM 0 H ARG B 44 -6.754 -4.778 -9.397 1.00 5.57 H new ATOM 0 HA ARG B 44 -8.881 -3.393 -10.669 1.00 5.41 H new ATOM 0 HB2 ARG B 44 -8.723 -5.015 -8.111 1.00 5.44 H new ATOM 0 HB3 ARG B 44 -10.219 -4.401 -8.787 1.00 5.44 H new ATOM 0 HG2 ARG B 44 -8.330 -6.259 -10.279 1.00 6.25 H new ATOM 0 HG3 ARG B 44 -9.699 -6.813 -9.337 1.00 6.25 H new ATOM 0 HD2 ARG B 44 -10.402 -6.709 -11.639 1.00 6.38 H new ATOM 0 HD3 ARG B 44 -11.213 -5.413 -10.783 1.00 6.38 H new ATOM 0 HE ARG B 44 -8.826 -5.019 -12.562 1.00 7.03 H new ATOM 0 HH11 ARG B 44 -11.855 -3.917 -11.106 1.00 7.50 H new ATOM 0 HH12 ARG B 44 -11.866 -2.393 -12.000 1.00 7.50 H new ATOM 0 HH21 ARG B 44 -8.848 -3.034 -13.699 1.00 8.28 H new ATOM 0 HH22 ARG B 44 -10.178 -1.898 -13.455 1.00 8.28 H new ATOM 1826 N LEU B 45 -7.741 -2.179 -7.832 1.00 4.13 N ATOM 1827 CA LEU B 45 -7.657 -0.940 -7.067 1.00 3.49 C ATOM 1828 C LEU B 45 -7.174 0.182 -7.979 1.00 3.91 C ATOM 1829 O LEU B 45 -7.669 1.304 -7.929 1.00 3.85 O ATOM 1830 CB LEU B 45 -6.691 -1.105 -5.887 1.00 2.89 C ATOM 1831 CG LEU B 45 -7.092 -2.158 -4.850 1.00 2.68 C ATOM 1832 CD1 LEU B 45 -5.968 -2.367 -3.847 1.00 2.32 C ATOM 1833 CD2 LEU B 45 -8.369 -1.746 -4.134 1.00 2.32 C ATOM 0 H LEU B 45 -7.103 -2.912 -7.520 1.00 4.13 H new ATOM 0 HA LEU B 45 -8.644 -0.695 -6.675 1.00 3.49 H new ATOM 0 HB2 LEU B 45 -5.707 -1.362 -6.279 1.00 2.89 H new ATOM 0 HB3 LEU B 45 -6.592 -0.143 -5.383 1.00 2.89 H new ATOM 0 HG LEU B 45 -7.277 -3.099 -5.369 1.00 2.68 H new ATOM 0 HD11 LEU B 45 -6.268 -3.118 -3.116 1.00 2.32 H new ATOM 0 HD12 LEU B 45 -5.073 -2.705 -4.369 1.00 2.32 H new ATOM 0 HD13 LEU B 45 -5.757 -1.428 -3.336 1.00 2.32 H new ATOM 0 HD21 LEU B 45 -8.637 -2.507 -3.401 1.00 2.32 H new ATOM 0 HD22 LEU B 45 -8.211 -0.794 -3.627 1.00 2.32 H new ATOM 0 HD23 LEU B 45 -9.175 -1.641 -4.860 1.00 2.32 H new ATOM 1845 N GLY B 46 -6.170 -0.134 -8.790 1.00 4.49 N ATOM 1846 CA GLY B 46 -5.750 0.752 -9.858 1.00 5.11 C ATOM 1847 C GLY B 46 -4.787 1.827 -9.402 1.00 4.95 C ATOM 1848 O GLY B 46 -4.003 2.343 -10.199 1.00 5.58 O ATOM 0 H GLY B 46 -5.634 -0.999 -8.724 1.00 4.49 H new ATOM 0 HA2 GLY B 46 -5.279 0.163 -10.645 1.00 5.11 H new ATOM 0 HA3 GLY B 46 -6.630 1.224 -10.296 1.00 5.11 H new ATOM 1852 N GLY B 47 -4.826 2.147 -8.115 1.00 4.20 N ATOM 1853 CA GLY B 47 -3.995 3.212 -7.592 1.00 4.08 C ATOM 1854 C GLY B 47 -4.497 4.583 -8.010 1.00 4.27 C ATOM 1855 O GLY B 47 -3.800 5.588 -7.846 1.00 4.50 O ATOM 0 H GLY B 47 -5.419 1.687 -7.424 1.00 4.20 H new ATOM 0 HA2 GLY B 47 -3.970 3.151 -6.504 1.00 4.08 H new ATOM 0 HA3 GLY B 47 -2.971 3.078 -7.942 1.00 4.08 H new ATOM 1859 N ALA B 48 -5.713 4.619 -8.547 1.00 4.37 N ATOM 1860 CA ALA B 48 -6.314 5.858 -9.017 1.00 4.85 C ATOM 1861 C ALA B 48 -6.895 6.640 -7.846 1.00 4.49 C ATOM 1862 O ALA B 48 -7.310 6.053 -6.848 1.00 3.88 O ATOM 1863 CB ALA B 48 -7.387 5.559 -10.053 1.00 5.41 C ATOM 0 H ALA B 48 -6.304 3.796 -8.667 1.00 4.37 H new ATOM 0 HA ALA B 48 -5.544 6.469 -9.487 1.00 4.85 H new ATOM 0 HB1 ALA B 48 -7.830 6.493 -10.398 1.00 5.41 H new ATOM 0 HB2 ALA B 48 -6.941 5.035 -10.898 1.00 5.41 H new ATOM 0 HB3 ALA B 48 -8.160 4.934 -9.606 1.00 5.41 H new ATOM 1869 N ARG B 49 -6.937 7.959 -7.973 1.00 5.02 N ATOM 1870 CA ARG B 49 -7.356 8.805 -6.861 1.00 4.98 C ATOM 1871 C ARG B 49 -8.834 8.624 -6.549 1.00 5.00 C ATOM 1872 O ARG B 49 -9.205 8.468 -5.391 1.00 4.59 O ATOM 1873 CB ARG B 49 -7.010 10.283 -7.119 1.00 5.73 C ATOM 1874 CG ARG B 49 -7.627 10.880 -8.374 1.00 6.40 C ATOM 1875 CD ARG B 49 -7.123 12.298 -8.612 1.00 6.81 C ATOM 1876 NE ARG B 49 -5.691 12.321 -8.914 1.00 7.23 N ATOM 1877 CZ ARG B 49 -4.880 13.349 -8.653 1.00 7.61 C ATOM 1878 NH1 ARG B 49 -5.343 14.446 -8.061 1.00 7.61 N ATOM 1879 NH2 ARG B 49 -3.599 13.277 -8.991 1.00 8.22 N ATOM 0 H ARG B 49 -6.689 8.463 -8.824 1.00 5.02 H new ATOM 0 HA ARG B 49 -6.798 8.488 -5.980 1.00 4.98 H new ATOM 0 HB2 ARG B 49 -7.332 10.871 -6.259 1.00 5.73 H new ATOM 0 HB3 ARG B 49 -5.926 10.380 -7.184 1.00 5.73 H new ATOM 0 HG2 ARG B 49 -7.385 10.256 -9.234 1.00 6.40 H new ATOM 0 HG3 ARG B 49 -8.713 10.888 -8.281 1.00 6.40 H new ATOM 0 HD2 ARG B 49 -7.676 12.747 -9.437 1.00 6.81 H new ATOM 0 HD3 ARG B 49 -7.318 12.906 -7.729 1.00 6.81 H new ATOM 0 HE ARG B 49 -5.285 11.495 -9.354 1.00 7.23 H new ATOM 0 HH11 ARG B 49 -6.327 14.509 -7.801 1.00 7.61 H new ATOM 0 HH12 ARG B 49 -4.714 15.225 -7.867 1.00 7.61 H new ATOM 0 HH21 ARG B 49 -3.238 12.439 -9.448 1.00 8.22 H new ATOM 0 HH22 ARG B 49 -2.975 14.059 -8.794 1.00 8.22 H new ATOM 1893 N HIS B 50 -9.674 8.608 -7.578 1.00 5.53 N ATOM 1894 CA HIS B 50 -11.115 8.442 -7.379 1.00 5.65 C ATOM 1895 C HIS B 50 -11.442 7.083 -6.758 1.00 4.90 C ATOM 1896 O HIS B 50 -12.347 6.978 -5.925 1.00 4.73 O ATOM 1897 CB HIS B 50 -11.904 8.659 -8.685 1.00 6.40 C ATOM 1898 CG HIS B 50 -11.262 8.100 -9.920 1.00 6.57 C ATOM 1899 ND1 HIS B 50 -11.420 6.796 -10.337 1.00 6.34 N ATOM 1900 CD2 HIS B 50 -10.470 8.693 -10.845 1.00 7.07 C ATOM 1901 CE1 HIS B 50 -10.754 6.615 -11.462 1.00 6.75 C ATOM 1902 NE2 HIS B 50 -10.168 7.746 -11.787 1.00 7.16 N ATOM 0 H HIS B 50 -9.388 8.707 -8.552 1.00 5.53 H new ATOM 0 HA HIS B 50 -11.430 9.214 -6.677 1.00 5.65 H new ATOM 0 HB2 HIS B 50 -12.891 8.210 -8.573 1.00 6.40 H new ATOM 0 HB3 HIS B 50 -12.055 9.729 -8.826 1.00 6.40 H new ATOM 0 HD1 HIS B 50 -11.966 6.083 -9.853 1.00 6.34 H new ATOM 0 HD2 HIS B 50 -10.139 9.721 -10.841 1.00 7.07 H new ATOM 0 HE1 HIS B 50 -10.700 5.693 -12.021 1.00 6.75 H new ATOM 1911 N GLU B 51 -10.685 6.052 -7.133 1.00 4.52 N ATOM 1912 CA GLU B 51 -10.861 4.728 -6.543 1.00 3.87 C ATOM 1913 C GLU B 51 -10.521 4.758 -5.061 1.00 3.13 C ATOM 1914 O GLU B 51 -11.268 4.245 -4.227 1.00 2.72 O ATOM 1915 CB GLU B 51 -9.984 3.688 -7.246 1.00 3.90 C ATOM 1916 CG GLU B 51 -10.701 2.917 -8.342 1.00 4.40 C ATOM 1917 CD GLU B 51 -11.099 3.791 -9.507 1.00 5.21 C ATOM 1918 OE1 GLU B 51 -12.168 4.438 -9.441 1.00 5.72 O ATOM 1919 OE2 GLU B 51 -10.342 3.847 -10.492 1.00 5.60 O ATOM 0 H GLU B 51 -9.950 6.108 -7.838 1.00 4.52 H new ATOM 0 HA GLU B 51 -11.906 4.446 -6.670 1.00 3.87 H new ATOM 0 HB2 GLU B 51 -9.117 4.189 -7.676 1.00 3.90 H new ATOM 0 HB3 GLU B 51 -9.609 2.982 -6.505 1.00 3.90 H new ATOM 0 HG2 GLU B 51 -10.054 2.116 -8.699 1.00 4.40 H new ATOM 0 HG3 GLU B 51 -11.592 2.446 -7.926 1.00 4.40 H new ATOM 1926 N LEU B 52 -9.396 5.378 -4.740 1.00 3.04 N ATOM 1927 CA LEU B 52 -8.921 5.432 -3.369 1.00 2.56 C ATOM 1928 C LEU B 52 -9.805 6.329 -2.509 1.00 3.06 C ATOM 1929 O LEU B 52 -9.860 6.167 -1.297 1.00 2.94 O ATOM 1930 CB LEU B 52 -7.465 5.901 -3.317 1.00 2.52 C ATOM 1931 CG LEU B 52 -6.473 5.014 -4.078 1.00 2.10 C ATOM 1932 CD1 LEU B 52 -5.053 5.513 -3.878 1.00 2.00 C ATOM 1933 CD2 LEU B 52 -6.598 3.562 -3.639 1.00 1.52 C ATOM 0 H LEU B 52 -8.794 5.852 -5.414 1.00 3.04 H new ATOM 0 HA LEU B 52 -8.973 4.423 -2.961 1.00 2.56 H new ATOM 0 HB2 LEU B 52 -7.410 6.912 -3.721 1.00 2.52 H new ATOM 0 HB3 LEU B 52 -7.154 5.957 -2.274 1.00 2.52 H new ATOM 0 HG LEU B 52 -6.712 5.068 -5.140 1.00 2.10 H new ATOM 0 HD11 LEU B 52 -4.362 4.872 -4.425 1.00 2.00 H new ATOM 0 HD12 LEU B 52 -4.971 6.535 -4.249 1.00 2.00 H new ATOM 0 HD13 LEU B 52 -4.806 5.491 -2.817 1.00 2.00 H new ATOM 0 HD21 LEU B 52 -5.884 2.952 -4.193 1.00 1.52 H new ATOM 0 HD22 LEU B 52 -6.390 3.485 -2.572 1.00 1.52 H new ATOM 0 HD23 LEU B 52 -7.609 3.208 -3.838 1.00 1.52 H new ATOM 1945 N ILE B 53 -10.496 7.277 -3.137 1.00 3.78 N ATOM 1946 CA ILE B 53 -11.448 8.122 -2.421 1.00 4.35 C ATOM 1947 C ILE B 53 -12.610 7.283 -1.898 1.00 4.05 C ATOM 1948 O ILE B 53 -12.978 7.377 -0.725 1.00 4.19 O ATOM 1949 CB ILE B 53 -11.994 9.265 -3.311 1.00 5.19 C ATOM 1950 CG1 ILE B 53 -10.877 10.256 -3.646 1.00 5.56 C ATOM 1951 CG2 ILE B 53 -13.154 9.980 -2.622 1.00 5.75 C ATOM 1952 CD1 ILE B 53 -11.303 11.363 -4.591 1.00 6.40 C ATOM 0 H ILE B 53 -10.416 7.479 -4.134 1.00 3.78 H new ATOM 0 HA ILE B 53 -10.913 8.573 -1.585 1.00 4.35 H new ATOM 0 HB ILE B 53 -12.365 8.831 -4.239 1.00 5.19 H new ATOM 0 HG12 ILE B 53 -10.510 10.702 -2.721 1.00 5.56 H new ATOM 0 HG13 ILE B 53 -10.043 9.713 -4.091 1.00 5.56 H new ATOM 0 HG21 ILE B 53 -13.522 10.779 -3.265 1.00 5.75 H new ATOM 0 HG22 ILE B 53 -13.958 9.269 -2.431 1.00 5.75 H new ATOM 0 HG23 ILE B 53 -12.811 10.403 -1.678 1.00 5.75 H new ATOM 0 HD11 ILE B 53 -10.458 12.025 -4.781 1.00 6.40 H new ATOM 0 HD12 ILE B 53 -11.642 10.928 -5.531 1.00 6.40 H new ATOM 0 HD13 ILE B 53 -12.116 11.933 -4.141 1.00 6.40 H new ATOM 1964 N ALA B 54 -13.183 6.457 -2.767 1.00 3.73 N ATOM 1965 CA ALA B 54 -14.256 5.556 -2.362 1.00 3.39 C ATOM 1966 C ALA B 54 -13.731 4.538 -1.357 1.00 2.66 C ATOM 1967 O ALA B 54 -14.393 4.215 -0.364 1.00 2.59 O ATOM 1968 CB ALA B 54 -14.854 4.856 -3.575 1.00 3.40 C ATOM 0 H ALA B 54 -12.924 6.393 -3.751 1.00 3.73 H new ATOM 0 HA ALA B 54 -15.044 6.140 -1.887 1.00 3.39 H new ATOM 0 HB1 ALA B 54 -15.653 4.188 -3.253 1.00 3.40 H new ATOM 0 HB2 ALA B 54 -15.258 5.600 -4.262 1.00 3.40 H new ATOM 0 HB3 ALA B 54 -14.080 4.278 -4.080 1.00 3.40 H new ATOM 1974 N LEU B 55 -12.522 4.055 -1.620 1.00 2.23 N ATOM 1975 CA LEU B 55 -11.853 3.113 -0.737 1.00 1.71 C ATOM 1976 C LEU B 55 -11.691 3.733 0.654 1.00 2.33 C ATOM 1977 O LEU B 55 -12.006 3.109 1.663 1.00 2.46 O ATOM 1978 CB LEU B 55 -10.487 2.736 -1.338 1.00 1.30 C ATOM 1979 CG LEU B 55 -9.889 1.394 -0.898 1.00 1.02 C ATOM 1980 CD1 LEU B 55 -9.490 1.422 0.567 1.00 1.74 C ATOM 1981 CD2 LEU B 55 -10.867 0.261 -1.168 1.00 1.20 C ATOM 0 H LEU B 55 -11.982 4.305 -2.448 1.00 2.23 H new ATOM 0 HA LEU B 55 -12.451 2.207 -0.637 1.00 1.71 H new ATOM 0 HB2 LEU B 55 -10.584 2.726 -2.424 1.00 1.30 H new ATOM 0 HB3 LEU B 55 -9.776 3.524 -1.089 1.00 1.30 H new ATOM 0 HG LEU B 55 -8.987 1.220 -1.484 1.00 1.02 H new ATOM 0 HD11 LEU B 55 -9.070 0.456 0.848 1.00 1.74 H new ATOM 0 HD12 LEU B 55 -8.746 2.202 0.727 1.00 1.74 H new ATOM 0 HD13 LEU B 55 -10.368 1.628 1.179 1.00 1.74 H new ATOM 0 HD21 LEU B 55 -10.426 -0.684 -0.850 1.00 1.20 H new ATOM 0 HD22 LEU B 55 -11.789 0.436 -0.614 1.00 1.20 H new ATOM 0 HD23 LEU B 55 -11.088 0.217 -2.235 1.00 1.20 H new ATOM 1993 N LEU B 56 -11.221 4.976 0.684 1.00 2.95 N ATOM 1994 CA LEU B 56 -11.048 5.733 1.925 1.00 3.69 C ATOM 1995 C LEU B 56 -12.360 5.795 2.704 1.00 4.03 C ATOM 1996 O LEU B 56 -12.399 5.579 3.916 1.00 4.45 O ATOM 1997 CB LEU B 56 -10.610 7.163 1.591 1.00 4.26 C ATOM 1998 CG LEU B 56 -9.380 7.693 2.331 1.00 5.04 C ATOM 1999 CD1 LEU B 56 -9.479 7.423 3.824 1.00 5.31 C ATOM 2000 CD2 LEU B 56 -8.110 7.095 1.751 1.00 5.56 C ATOM 0 H LEU B 56 -10.948 5.491 -0.153 1.00 2.95 H new ATOM 0 HA LEU B 56 -10.293 5.234 2.532 1.00 3.69 H new ATOM 0 HB2 LEU B 56 -10.413 7.218 0.520 1.00 4.26 H new ATOM 0 HB3 LEU B 56 -11.446 7.832 1.796 1.00 4.26 H new ATOM 0 HG LEU B 56 -9.341 8.774 2.194 1.00 5.04 H new ATOM 0 HD11 LEU B 56 -8.591 7.811 4.324 1.00 5.31 H new ATOM 0 HD12 LEU B 56 -10.365 7.915 4.225 1.00 5.31 H new ATOM 0 HD13 LEU B 56 -9.552 6.349 3.995 1.00 5.31 H new ATOM 0 HD21 LEU B 56 -7.246 7.484 2.290 1.00 5.56 H new ATOM 0 HD22 LEU B 56 -8.141 6.010 1.849 1.00 5.56 H new ATOM 0 HD23 LEU B 56 -8.030 7.362 0.697 1.00 5.56 H new ATOM 2012 N ARG B 57 -13.428 6.082 1.981 1.00 3.93 N ATOM 2013 CA ARG B 57 -14.739 6.299 2.574 1.00 4.27 C ATOM 2014 C ARG B 57 -15.282 5.035 3.244 1.00 3.92 C ATOM 2015 O ARG B 57 -16.040 5.119 4.212 1.00 4.30 O ATOM 2016 CB ARG B 57 -15.712 6.802 1.498 1.00 4.32 C ATOM 2017 CG ARG B 57 -17.135 7.014 1.994 1.00 4.80 C ATOM 2018 CD ARG B 57 -18.014 7.621 0.913 1.00 5.19 C ATOM 2019 NE ARG B 57 -17.628 8.996 0.597 1.00 5.85 N ATOM 2020 CZ ARG B 57 -18.014 9.643 -0.501 1.00 6.39 C ATOM 2021 NH1 ARG B 57 -18.724 9.021 -1.435 1.00 6.40 N ATOM 2022 NH2 ARG B 57 -17.668 10.911 -0.672 1.00 7.19 N ATOM 0 H ARG B 57 -13.412 6.172 0.965 1.00 3.93 H new ATOM 0 HA ARG B 57 -14.637 7.053 3.355 1.00 4.27 H new ATOM 0 HB2 ARG B 57 -15.336 7.742 1.095 1.00 4.32 H new ATOM 0 HB3 ARG B 57 -15.728 6.087 0.676 1.00 4.32 H new ATOM 0 HG2 ARG B 57 -17.556 6.061 2.315 1.00 4.80 H new ATOM 0 HG3 ARG B 57 -17.124 7.668 2.866 1.00 4.80 H new ATOM 0 HD2 ARG B 57 -17.952 7.011 0.012 1.00 5.19 H new ATOM 0 HD3 ARG B 57 -19.054 7.603 1.239 1.00 5.19 H new ATOM 0 HE ARG B 57 -17.027 9.489 1.257 1.00 5.85 H new ATOM 0 HH11 ARG B 57 -18.978 8.040 -1.314 1.00 6.40 H new ATOM 0 HH12 ARG B 57 -19.016 9.524 -2.273 1.00 6.40 H new ATOM 0 HH21 ARG B 57 -17.108 11.387 0.036 1.00 7.19 H new ATOM 0 HH22 ARG B 57 -17.961 11.411 -1.511 1.00 7.19 H new ATOM 2036 N GLN B 58 -14.887 3.867 2.745 1.00 3.27 N ATOM 2037 CA GLN B 58 -15.390 2.605 3.285 1.00 3.16 C ATOM 2038 C GLN B 58 -14.962 2.415 4.748 1.00 3.92 C ATOM 2039 O GLN B 58 -15.670 1.785 5.535 1.00 4.23 O ATOM 2040 CB GLN B 58 -14.916 1.420 2.435 1.00 2.58 C ATOM 2041 CG GLN B 58 -13.599 0.816 2.892 1.00 2.73 C ATOM 2042 CD GLN B 58 -13.070 -0.234 1.941 1.00 2.46 C ATOM 2043 OE1 GLN B 58 -13.824 -0.890 1.233 1.00 2.60 O ATOM 2044 NE2 GLN B 58 -11.762 -0.406 1.941 1.00 2.44 N ATOM 0 H GLN B 58 -14.226 3.767 1.975 1.00 3.27 H new ATOM 0 HA GLN B 58 -16.479 2.644 3.251 1.00 3.16 H new ATOM 0 HB2 GLN B 58 -15.683 0.646 2.450 1.00 2.58 H new ATOM 0 HB3 GLN B 58 -14.814 1.747 1.400 1.00 2.58 H new ATOM 0 HG2 GLN B 58 -12.859 1.609 2.997 1.00 2.73 H new ATOM 0 HG3 GLN B 58 -13.732 0.371 3.878 1.00 2.73 H new ATOM 0 HE21 GLN B 58 -11.173 0.164 2.548 1.00 2.44 H new ATOM 0 HE22 GLN B 58 -11.340 -1.109 1.334 1.00 2.44 H new ATOM 2053 N LEU B 59 -13.809 2.968 5.117 1.00 4.30 N ATOM 2054 CA LEU B 59 -13.314 2.833 6.482 1.00 5.09 C ATOM 2055 C LEU B 59 -13.425 4.155 7.230 1.00 5.75 C ATOM 2056 O LEU B 59 -12.792 4.345 8.269 1.00 6.46 O ATOM 2057 CB LEU B 59 -11.862 2.326 6.511 1.00 5.21 C ATOM 2058 CG LEU B 59 -10.820 3.219 5.828 1.00 4.98 C ATOM 2059 CD1 LEU B 59 -9.493 3.132 6.561 1.00 5.21 C ATOM 2060 CD2 LEU B 59 -10.630 2.802 4.379 1.00 5.36 C ATOM 0 H LEU B 59 -13.206 3.508 4.496 1.00 4.30 H new ATOM 0 HA LEU B 59 -13.938 2.092 6.982 1.00 5.09 H new ATOM 0 HB2 LEU B 59 -11.567 2.190 7.552 1.00 5.21 H new ATOM 0 HB3 LEU B 59 -11.833 1.343 6.040 1.00 5.21 H new ATOM 0 HG LEU B 59 -11.179 4.248 5.856 1.00 4.98 H new ATOM 0 HD11 LEU B 59 -8.761 3.771 6.066 1.00 5.21 H new ATOM 0 HD12 LEU B 59 -9.624 3.462 7.592 1.00 5.21 H new ATOM 0 HD13 LEU B 59 -9.139 2.101 6.552 1.00 5.21 H new ATOM 0 HD21 LEU B 59 -9.887 3.446 3.909 1.00 5.36 H new ATOM 0 HD22 LEU B 59 -10.290 1.767 4.340 1.00 5.36 H new ATOM 0 HD23 LEU B 59 -11.577 2.893 3.847 1.00 5.36 H new