USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 TYR OH : rot -62:sc= 1.42 USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.372 (180deg=-0.372) USER MOD Single : A 3 GLN : amide:sc= -0.0309 K(o=-0.031,f=-1.6) USER MOD Single : A 6 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.2!) USER MOD Single : A 8 LYS NZ :NH3+ -132:sc= -0.0466 (180deg=-1.5) USER MOD Single : A 10 SER OG : rot -10:sc= 0.916 USER MOD Single : A 20 THR OG1 : rot 180:sc= -3.52! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 37 SER OG : rot 180:sc= 0.00529 USER MOD Single : A 39 CYS SG : rot -164:sc= -1.68 USER MOD Single : A 42 GLN : amide:sc= -0.0555 K(o=-0.055,f=-0.6) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -170:sc= -0.808 USER MOD Single : A 49 THR OG1 : rot 30:sc= 0.142 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00024 USER MOD Single : A 52 SER OG : rot -137:sc= 0.981 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -164:sc=-0.00455 (180deg=-0.1) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 179:sc= -3.01! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.873 11.749 1.888 1.00 5.02 N ATOM 2 CA MET A 1 17.943 11.180 2.749 1.00 4.66 C ATOM 3 C MET A 1 17.354 10.471 3.966 1.00 4.42 C ATOM 4 O MET A 1 16.936 11.114 4.928 1.00 4.63 O ATOM 5 CB MET A 1 18.866 12.317 3.195 1.00 4.39 C ATOM 6 CG MET A 1 20.310 12.141 2.753 1.00 4.63 C ATOM 7 SD MET A 1 20.467 11.893 0.973 1.00 5.44 S ATOM 8 CE MET A 1 22.246 11.772 0.803 1.00 5.68 C ATOM 0 H1 MET A 1 17.303 12.225 1.069 1.00 5.02 H new ATOM 0 H2 MET A 1 16.250 10.984 1.557 1.00 5.02 H new ATOM 0 H3 MET A 1 16.316 12.437 2.435 1.00 5.02 H new ATOM 0 HA MET A 1 18.505 10.440 2.179 1.00 4.66 H new ATOM 0 HB2 MET A 1 18.486 13.258 2.798 1.00 4.39 H new ATOM 0 HB3 MET A 1 18.835 12.393 4.282 1.00 4.39 H new ATOM 0 HG2 MET A 1 20.885 13.020 3.046 1.00 4.63 H new ATOM 0 HG3 MET A 1 20.744 11.288 3.274 1.00 4.63 H new ATOM 0 HE1 MET A 1 22.502 11.617 -0.245 1.00 5.68 H new ATOM 0 HE2 MET A 1 22.709 12.693 1.157 1.00 5.68 H new ATOM 0 HE3 MET A 1 22.612 10.932 1.394 1.00 5.68 H new ATOM 20 N GLY A 2 17.327 9.143 3.915 1.00 4.11 N ATOM 21 CA GLY A 2 16.789 8.368 5.019 1.00 4.01 C ATOM 22 C GLY A 2 15.278 8.471 5.127 1.00 3.33 C ATOM 23 O GLY A 2 14.705 8.178 6.176 1.00 3.34 O ATOM 0 H GLY A 2 17.668 8.589 3.129 1.00 4.11 H new ATOM 0 HA2 GLY A 2 17.070 7.322 4.894 1.00 4.01 H new ATOM 0 HA3 GLY A 2 17.240 8.710 5.951 1.00 4.01 H new ATOM 27 N GLN A 3 14.632 8.887 4.042 1.00 2.87 N ATOM 28 CA GLN A 3 13.180 9.026 4.024 1.00 2.29 C ATOM 29 C GLN A 3 12.521 7.806 3.390 1.00 1.97 C ATOM 30 O GLN A 3 13.121 7.125 2.559 1.00 2.17 O ATOM 31 CB GLN A 3 12.778 10.290 3.263 1.00 2.41 C ATOM 32 CG GLN A 3 13.703 11.470 3.515 1.00 3.17 C ATOM 33 CD GLN A 3 13.067 12.799 3.156 1.00 3.60 C ATOM 34 OE1 GLN A 3 11.922 12.851 2.706 1.00 3.44 O ATOM 35 NE2 GLN A 3 13.810 13.882 3.354 1.00 4.47 N ATOM 0 H GLN A 3 15.091 9.133 3.165 1.00 2.87 H new ATOM 0 HA GLN A 3 12.836 9.105 5.055 1.00 2.29 H new ATOM 0 HB2 GLN A 3 12.763 10.072 2.195 1.00 2.41 H new ATOM 0 HB3 GLN A 3 11.763 10.568 3.546 1.00 2.41 H new ATOM 0 HG2 GLN A 3 13.992 11.482 4.566 1.00 3.17 H new ATOM 0 HG3 GLN A 3 14.617 11.341 2.935 1.00 3.17 H new ATOM 0 HE21 GLN A 3 14.754 13.791 3.729 1.00 4.47 H new ATOM 0 HE22 GLN A 3 13.436 14.805 3.131 1.00 4.47 H new ATOM 44 N VAL A 4 11.280 7.538 3.786 1.00 1.57 N ATOM 45 CA VAL A 4 10.535 6.402 3.257 1.00 1.29 C ATOM 46 C VAL A 4 9.340 6.863 2.431 1.00 1.28 C ATOM 47 O VAL A 4 8.713 7.877 2.736 1.00 1.44 O ATOM 48 CB VAL A 4 10.026 5.466 4.378 1.00 1.17 C ATOM 49 CG1 VAL A 4 11.183 4.758 5.065 1.00 1.39 C ATOM 50 CG2 VAL A 4 9.186 6.235 5.386 1.00 1.57 C ATOM 0 H VAL A 4 10.769 8.093 4.472 1.00 1.57 H new ATOM 0 HA VAL A 4 11.232 5.851 2.626 1.00 1.29 H new ATOM 0 HB VAL A 4 9.393 4.706 3.919 1.00 1.17 H new ATOM 0 HG11 VAL A 4 10.797 4.106 5.849 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.730 4.162 4.335 1.00 1.39 H new ATOM 0 HG13 VAL A 4 11.852 5.497 5.505 1.00 1.39 H new ATOM 0 HG21 VAL A 4 8.839 5.555 6.165 1.00 1.57 H new ATOM 0 HG22 VAL A 4 9.789 7.024 5.835 1.00 1.57 H new ATOM 0 HG23 VAL A 4 8.327 6.677 4.882 1.00 1.57 H new ATOM 60 N VAL A 5 9.015 6.092 1.401 1.00 1.14 N ATOM 61 CA VAL A 5 7.881 6.392 0.544 1.00 1.22 C ATOM 62 C VAL A 5 6.680 5.579 1.005 1.00 1.03 C ATOM 63 O VAL A 5 6.744 4.353 1.095 1.00 0.92 O ATOM 64 CB VAL A 5 8.179 6.073 -0.938 1.00 1.29 C ATOM 65 CG1 VAL A 5 9.429 6.806 -1.401 1.00 1.79 C ATOM 66 CG2 VAL A 5 8.324 4.570 -1.155 1.00 1.70 C ATOM 0 H VAL A 5 9.526 5.249 1.140 1.00 1.14 H new ATOM 0 HA VAL A 5 7.673 7.459 0.619 1.00 1.22 H new ATOM 0 HB VAL A 5 7.335 6.419 -1.535 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.623 6.569 -2.447 1.00 1.79 H new ATOM 0 HG12 VAL A 5 9.281 7.881 -1.294 1.00 1.79 H new ATOM 0 HG13 VAL A 5 10.279 6.494 -0.795 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.533 4.373 -2.206 1.00 1.70 H new ATOM 0 HG22 VAL A 5 9.144 4.192 -0.545 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.398 4.070 -0.869 1.00 1.70 H new ATOM 76 N GLN A 6 5.603 6.269 1.337 1.00 1.03 N ATOM 77 CA GLN A 6 4.409 5.610 1.835 1.00 0.85 C ATOM 78 C GLN A 6 3.352 5.437 0.754 1.00 0.83 C ATOM 79 O GLN A 6 3.196 6.287 -0.123 1.00 0.94 O ATOM 80 CB GLN A 6 3.830 6.409 3.001 1.00 0.83 C ATOM 81 CG GLN A 6 4.848 6.710 4.089 1.00 1.45 C ATOM 82 CD GLN A 6 5.402 8.119 3.995 1.00 1.81 C ATOM 83 OE1 GLN A 6 6.614 8.325 4.050 1.00 2.26 O ATOM 84 NE2 GLN A 6 4.515 9.099 3.855 1.00 2.01 N ATOM 0 H GLN A 6 5.531 7.284 1.271 1.00 1.03 H new ATOM 0 HA GLN A 6 4.699 4.614 2.170 1.00 0.85 H new ATOM 0 HB2 GLN A 6 3.424 7.348 2.623 1.00 0.83 H new ATOM 0 HB3 GLN A 6 2.998 5.854 3.435 1.00 0.83 H new ATOM 0 HG2 GLN A 6 4.383 6.571 5.065 1.00 1.45 H new ATOM 0 HG3 GLN A 6 5.668 5.996 4.022 1.00 1.45 H new ATOM 0 HE21 GLN A 6 3.519 8.883 3.814 1.00 2.01 H new ATOM 0 HE22 GLN A 6 4.830 10.067 3.789 1.00 2.01 H new ATOM 93 N PHE A 7 2.612 4.335 0.839 1.00 0.74 N ATOM 94 CA PHE A 7 1.555 4.053 -0.111 1.00 0.78 C ATOM 95 C PHE A 7 0.214 4.462 0.490 1.00 0.62 C ATOM 96 O PHE A 7 -0.005 4.323 1.699 1.00 0.55 O ATOM 97 CB PHE A 7 1.550 2.568 -0.484 1.00 0.86 C ATOM 98 CG PHE A 7 0.332 2.151 -1.252 1.00 0.97 C ATOM 99 CD1 PHE A 7 -0.812 1.755 -0.585 1.00 0.98 C ATOM 100 CD2 PHE A 7 0.327 2.166 -2.636 1.00 1.14 C ATOM 101 CE1 PHE A 7 -1.942 1.381 -1.281 1.00 1.17 C ATOM 102 CE2 PHE A 7 -0.799 1.791 -3.341 1.00 1.29 C ATOM 103 CZ PHE A 7 -1.938 1.399 -2.663 1.00 1.29 C ATOM 0 H PHE A 7 2.730 3.624 1.561 1.00 0.74 H new ATOM 0 HA PHE A 7 1.728 4.626 -1.022 1.00 0.78 H new ATOM 0 HB2 PHE A 7 2.438 2.347 -1.077 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.618 1.972 0.426 1.00 0.86 H new ATOM 0 HD1 PHE A 7 -0.821 1.738 0.495 1.00 0.98 H new ATOM 0 HD2 PHE A 7 1.214 2.474 -3.170 1.00 1.14 H new ATOM 0 HE1 PHE A 7 -2.829 1.074 -0.747 1.00 1.17 H new ATOM 0 HE2 PHE A 7 -0.790 1.804 -4.421 1.00 1.29 H new ATOM 0 HZ PHE A 7 -2.822 1.108 -3.211 1.00 1.29 H new ATOM 113 N LYS A 8 -0.662 4.996 -0.355 1.00 0.60 N ATOM 114 CA LYS A 8 -1.969 5.468 0.087 1.00 0.54 C ATOM 115 C LYS A 8 -3.104 4.835 -0.719 1.00 0.68 C ATOM 116 O LYS A 8 -2.978 4.608 -1.922 1.00 0.77 O ATOM 117 CB LYS A 8 -2.007 6.994 -0.041 1.00 0.61 C ATOM 118 CG LYS A 8 -3.385 7.614 0.115 1.00 1.40 C ATOM 119 CD LYS A 8 -3.401 9.045 -0.405 1.00 2.22 C ATOM 120 CE LYS A 8 -2.297 9.881 0.226 1.00 1.88 C ATOM 121 NZ LYS A 8 -2.774 11.240 0.604 1.00 2.42 N ATOM 0 H LYS A 8 -0.489 5.113 -1.353 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.116 5.174 1.126 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -1.344 7.424 0.710 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -1.607 7.272 -1.016 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -4.119 7.018 -0.427 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -3.677 7.602 1.165 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -3.281 9.041 -1.488 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -4.369 9.499 -0.193 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -1.917 9.371 1.111 1.00 1.88 H new ATOM 0 HE3 LYS A 8 -1.465 9.970 -0.473 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 -2.100 11.953 0.260 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 -3.707 11.412 0.178 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 -2.849 11.306 1.639 1.00 2.42 H new ATOM 135 N LEU A 9 -4.217 4.565 -0.039 1.00 0.86 N ATOM 136 CA LEU A 9 -5.394 3.971 -0.672 1.00 1.06 C ATOM 137 C LEU A 9 -5.855 4.832 -1.844 1.00 1.74 C ATOM 138 O LEU A 9 -6.245 5.985 -1.661 1.00 2.24 O ATOM 139 CB LEU A 9 -6.516 3.832 0.368 1.00 1.28 C ATOM 140 CG LEU A 9 -7.814 3.148 -0.097 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.545 3.997 -1.126 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.541 1.759 -0.646 1.00 1.96 C ATOM 0 H LEU A 9 -4.329 4.750 0.958 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.138 2.983 -1.055 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.124 3.274 1.218 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -6.768 4.829 0.730 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.458 3.044 0.776 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.458 3.488 -1.436 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -8.799 4.962 -0.687 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -7.903 4.150 -1.993 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.478 1.303 -0.966 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -6.864 1.831 -1.497 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.085 1.144 0.130 1.00 1.96 H new ATOM 154 N SER A 10 -5.806 4.269 -3.046 1.00 2.11 N ATOM 155 CA SER A 10 -6.218 4.994 -4.242 1.00 2.83 C ATOM 156 C SER A 10 -7.124 4.134 -5.116 1.00 2.93 C ATOM 157 O SER A 10 -6.687 3.135 -5.686 1.00 3.26 O ATOM 158 CB SER A 10 -4.990 5.436 -5.040 1.00 3.76 C ATOM 159 OG SER A 10 -4.560 4.414 -5.922 1.00 4.49 O ATOM 0 H SER A 10 -5.486 3.316 -3.218 1.00 2.11 H new ATOM 0 HA SER A 10 -6.778 5.875 -3.929 1.00 2.83 H new ATOM 0 HB2 SER A 10 -5.226 6.336 -5.608 1.00 3.76 H new ATOM 0 HB3 SER A 10 -4.182 5.694 -4.356 1.00 3.76 H new ATOM 0 HG SER A 10 -5.037 3.583 -5.717 1.00 4.49 H new ATOM 165 N ASP A 11 -8.388 4.533 -5.220 1.00 3.22 N ATOM 166 CA ASP A 11 -9.359 3.800 -6.027 1.00 3.68 C ATOM 167 C ASP A 11 -10.749 4.422 -5.917 1.00 3.44 C ATOM 168 O ASP A 11 -11.523 4.405 -6.875 1.00 4.01 O ATOM 169 CB ASP A 11 -9.412 2.332 -5.597 1.00 4.18 C ATOM 170 CG ASP A 11 -10.480 1.549 -6.338 1.00 4.90 C ATOM 171 OD1 ASP A 11 -10.492 1.595 -7.586 1.00 5.41 O ATOM 172 OD2 ASP A 11 -11.305 0.892 -5.669 1.00 5.24 O ATOM 0 H ASP A 11 -8.764 5.360 -4.756 1.00 3.22 H new ATOM 0 HA ASP A 11 -9.038 3.857 -7.067 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -8.440 1.870 -5.771 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -9.603 2.277 -4.525 1.00 4.18 H new ATOM 177 N ILE A 12 -11.065 4.959 -4.744 1.00 2.82 N ATOM 178 CA ILE A 12 -12.368 5.573 -4.514 1.00 2.70 C ATOM 179 C ILE A 12 -12.231 6.959 -3.895 1.00 2.96 C ATOM 180 O ILE A 12 -11.147 7.363 -3.481 1.00 3.29 O ATOM 181 CB ILE A 12 -13.241 4.707 -3.583 1.00 2.58 C ATOM 182 CG1 ILE A 12 -12.389 4.086 -2.469 1.00 1.94 C ATOM 183 CG2 ILE A 12 -13.967 3.632 -4.378 1.00 3.25 C ATOM 184 CD1 ILE A 12 -11.556 2.900 -2.915 1.00 1.97 C ATOM 0 H ILE A 12 -10.439 4.982 -3.939 1.00 2.82 H new ATOM 0 HA ILE A 12 -12.846 5.657 -5.490 1.00 2.70 H new ATOM 0 HB ILE A 12 -13.991 5.347 -3.118 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -11.726 4.851 -2.064 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -13.045 3.771 -1.657 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -14.578 3.031 -3.704 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -14.606 4.102 -5.126 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -13.238 2.992 -4.875 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -10.983 2.519 -2.069 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -12.212 2.115 -3.292 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -10.873 3.212 -3.705 1.00 1.97 H new ATOM 196 N GLY A 13 -13.345 7.676 -3.828 1.00 3.15 N ATOM 197 CA GLY A 13 -13.348 9.005 -3.246 1.00 3.67 C ATOM 198 C GLY A 13 -13.379 8.958 -1.729 1.00 3.84 C ATOM 199 O GLY A 13 -13.547 7.890 -1.140 1.00 3.63 O ATOM 0 H GLY A 13 -14.253 7.359 -4.169 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -12.461 9.547 -3.574 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -14.213 9.559 -3.610 1.00 3.67 H new ATOM 203 N GLU A 14 -13.211 10.112 -1.095 1.00 4.49 N ATOM 204 CA GLU A 14 -13.214 10.189 0.363 1.00 4.81 C ATOM 205 C GLU A 14 -14.628 10.387 0.909 1.00 4.15 C ATOM 206 O GLU A 14 -14.979 11.477 1.359 1.00 4.04 O ATOM 207 CB GLU A 14 -12.314 11.335 0.833 1.00 5.76 C ATOM 208 CG GLU A 14 -11.034 11.479 0.025 1.00 6.16 C ATOM 209 CD GLU A 14 -10.876 12.863 -0.576 1.00 7.04 C ATOM 210 OE1 GLU A 14 -11.701 13.234 -1.437 1.00 7.20 O ATOM 211 OE2 GLU A 14 -9.928 13.575 -0.185 1.00 7.72 O ATOM 0 H GLU A 14 -13.071 11.006 -1.565 1.00 4.49 H new ATOM 0 HA GLU A 14 -12.830 9.244 0.746 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -12.873 12.269 0.780 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -12.056 11.176 1.880 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -10.178 11.265 0.666 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -11.027 10.737 -0.774 1.00 6.16 H new ATOM 218 N GLY A 15 -15.436 9.328 0.876 1.00 3.81 N ATOM 219 CA GLY A 15 -16.795 9.422 1.383 1.00 3.32 C ATOM 220 C GLY A 15 -17.744 8.433 0.730 1.00 2.93 C ATOM 221 O GLY A 15 -18.737 8.026 1.334 1.00 3.13 O ATOM 0 H GLY A 15 -15.175 8.412 0.510 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -16.787 9.252 2.460 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -17.167 10.434 1.222 1.00 3.32 H new ATOM 225 N ILE A 16 -17.446 8.054 -0.506 1.00 2.53 N ATOM 226 CA ILE A 16 -18.286 7.116 -1.245 1.00 2.22 C ATOM 227 C ILE A 16 -18.301 5.737 -0.597 1.00 1.91 C ATOM 228 O ILE A 16 -19.313 5.039 -0.635 1.00 1.88 O ATOM 229 CB ILE A 16 -17.806 6.967 -2.703 1.00 2.22 C ATOM 230 CG1 ILE A 16 -16.431 6.287 -2.759 1.00 2.32 C ATOM 231 CG2 ILE A 16 -17.757 8.325 -3.387 1.00 2.54 C ATOM 232 CD1 ILE A 16 -16.502 4.806 -3.054 1.00 2.22 C ATOM 0 H ILE A 16 -16.628 8.381 -1.020 1.00 2.53 H new ATOM 0 HA ILE A 16 -19.295 7.529 -1.229 1.00 2.22 H new ATOM 0 HB ILE A 16 -18.519 6.336 -3.234 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -15.825 6.773 -3.524 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -15.922 6.436 -1.807 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -17.416 8.202 -4.415 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -18.752 8.770 -3.385 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -17.067 8.977 -2.852 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -15.494 4.391 -3.079 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -17.081 4.307 -2.276 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -16.982 4.650 -4.020 1.00 2.22 H new ATOM 244 N ARG A 17 -17.156 5.362 -0.025 1.00 1.82 N ATOM 245 CA ARG A 17 -16.951 4.067 0.630 1.00 1.64 C ATOM 246 C ARG A 17 -15.476 3.709 0.509 1.00 1.22 C ATOM 247 O ARG A 17 -14.830 4.060 -0.476 1.00 1.14 O ATOM 248 CB ARG A 17 -17.821 2.959 0.006 1.00 1.77 C ATOM 249 CG ARG A 17 -17.469 1.550 0.459 1.00 2.27 C ATOM 250 CD ARG A 17 -17.206 0.635 -0.725 1.00 2.75 C ATOM 251 NE ARG A 17 -16.435 -0.544 -0.344 1.00 3.16 N ATOM 252 CZ ARG A 17 -16.942 -1.567 0.335 1.00 3.76 C ATOM 253 NH1 ARG A 17 -18.217 -1.557 0.698 1.00 4.04 N ATOM 254 NH2 ARG A 17 -16.174 -2.600 0.652 1.00 4.40 N ATOM 0 H ARG A 17 -16.330 5.960 -0.003 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.248 4.146 1.676 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -18.865 3.155 0.249 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.731 3.011 -1.079 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -16.587 1.582 1.099 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -18.284 1.145 1.059 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -18.156 0.322 -1.160 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -16.668 1.186 -1.497 1.00 2.75 H new ATOM 0 HE ARG A 17 -15.452 -0.585 -0.614 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -18.810 -0.763 0.456 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -18.605 -2.343 1.219 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -15.193 -2.610 0.375 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -16.565 -3.385 1.173 1.00 4.40 H new ATOM 268 N GLU A 18 -14.935 3.036 1.507 1.00 1.16 N ATOM 269 CA GLU A 18 -13.528 2.670 1.485 1.00 0.91 C ATOM 270 C GLU A 18 -13.347 1.222 1.042 1.00 0.63 C ATOM 271 O GLU A 18 -14.328 0.499 0.865 1.00 0.66 O ATOM 272 CB GLU A 18 -12.926 2.934 2.857 1.00 1.29 C ATOM 273 CG GLU A 18 -12.819 4.421 3.156 1.00 1.64 C ATOM 274 CD GLU A 18 -13.567 4.819 4.413 1.00 1.83 C ATOM 275 OE1 GLU A 18 -13.854 3.928 5.241 1.00 2.11 O ATOM 276 OE2 GLU A 18 -13.868 6.021 4.570 1.00 2.17 O ATOM 0 H GLU A 18 -15.442 2.733 2.338 1.00 1.16 H new ATOM 0 HA GLU A 18 -12.999 3.282 0.754 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -13.539 2.454 3.620 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -11.936 2.481 2.912 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -11.768 4.692 3.262 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -13.210 4.987 2.310 1.00 1.64 H new ATOM 283 N VAL A 19 -12.100 0.800 0.823 1.00 0.63 N ATOM 284 CA VAL A 19 -11.858 -0.569 0.354 1.00 0.57 C ATOM 285 C VAL A 19 -10.974 -1.380 1.296 1.00 0.41 C ATOM 286 O VAL A 19 -10.079 -0.848 1.953 1.00 0.47 O ATOM 287 CB VAL A 19 -11.237 -0.583 -1.055 1.00 0.93 C ATOM 288 CG1 VAL A 19 -9.840 0.006 -1.034 1.00 1.51 C ATOM 289 CG2 VAL A 19 -11.217 -1.998 -1.615 1.00 1.16 C ATOM 0 H VAL A 19 -11.263 1.366 0.958 1.00 0.63 H new ATOM 0 HA VAL A 19 -12.841 -1.040 0.327 1.00 0.57 H new ATOM 0 HB VAL A 19 -11.854 0.035 -1.707 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.421 -0.014 -2.040 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -9.885 1.036 -0.680 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.208 -0.580 -0.366 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -10.775 -1.989 -2.611 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -10.626 -2.640 -0.962 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -12.236 -2.380 -1.674 1.00 1.16 H new ATOM 299 N THR A 20 -11.242 -2.683 1.345 1.00 0.37 N ATOM 300 CA THR A 20 -10.494 -3.601 2.196 1.00 0.30 C ATOM 301 C THR A 20 -9.419 -4.324 1.402 1.00 0.33 C ATOM 302 O THR A 20 -9.540 -4.501 0.190 1.00 0.65 O ATOM 303 CB THR A 20 -11.417 -4.667 2.819 1.00 0.43 C ATOM 304 OG1 THR A 20 -12.757 -4.171 2.913 1.00 0.69 O ATOM 305 CG2 THR A 20 -10.919 -5.086 4.197 1.00 0.54 C ATOM 0 H THR A 20 -11.979 -3.129 0.799 1.00 0.37 H new ATOM 0 HA THR A 20 -10.041 -2.998 2.983 1.00 0.30 H new ATOM 0 HB THR A 20 -11.405 -5.543 2.170 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.333 -4.858 3.309 1.00 0.69 H new ATOM 0 HG21 THR A 20 -11.589 -5.839 4.613 1.00 0.54 H new ATOM 0 HG22 THR A 20 -9.915 -5.502 4.110 1.00 0.54 H new ATOM 0 HG23 THR A 20 -10.896 -4.217 4.855 1.00 0.54 H new ATOM 313 N VAL A 21 -8.372 -4.754 2.094 1.00 0.28 N ATOM 314 CA VAL A 21 -7.286 -5.474 1.441 1.00 0.25 C ATOM 315 C VAL A 21 -7.658 -6.938 1.233 1.00 0.29 C ATOM 316 O VAL A 21 -8.203 -7.583 2.125 1.00 0.33 O ATOM 317 CB VAL A 21 -5.978 -5.397 2.249 1.00 0.29 C ATOM 318 CG1 VAL A 21 -4.815 -5.919 1.420 1.00 1.39 C ATOM 319 CG2 VAL A 21 -5.715 -3.972 2.711 1.00 1.21 C ATOM 0 H VAL A 21 -8.252 -4.619 3.098 1.00 0.28 H new ATOM 0 HA VAL A 21 -7.125 -4.994 0.476 1.00 0.25 H new ATOM 0 HB VAL A 21 -6.080 -6.025 3.134 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -3.896 -5.859 2.004 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -5.002 -6.957 1.144 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -4.712 -5.316 0.518 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -4.786 -3.940 3.280 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.632 -3.318 1.843 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.538 -3.636 3.341 1.00 1.21 H new ATOM 329 N LYS A 22 -7.368 -7.455 0.046 1.00 0.36 N ATOM 330 CA LYS A 22 -7.678 -8.841 -0.278 1.00 0.46 C ATOM 331 C LYS A 22 -6.441 -9.723 -0.153 1.00 0.52 C ATOM 332 O LYS A 22 -6.541 -10.898 0.199 1.00 0.66 O ATOM 333 CB LYS A 22 -8.248 -8.940 -1.695 1.00 0.52 C ATOM 334 CG LYS A 22 -9.156 -10.141 -1.901 1.00 0.78 C ATOM 335 CD LYS A 22 -10.557 -9.873 -1.378 1.00 1.48 C ATOM 336 CE LYS A 22 -11.551 -10.899 -1.897 1.00 2.16 C ATOM 337 NZ LYS A 22 -12.950 -10.392 -1.844 1.00 2.95 N ATOM 0 H LYS A 22 -6.919 -6.935 -0.708 1.00 0.36 H new ATOM 0 HA LYS A 22 -8.424 -9.194 0.434 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -8.806 -8.030 -1.918 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -7.424 -8.991 -2.407 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -9.203 -10.386 -2.962 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -8.736 -11.008 -1.392 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -10.549 -9.891 -0.288 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -10.874 -8.874 -1.678 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -11.299 -11.162 -2.924 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -11.473 -11.812 -1.306 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -13.597 -11.121 -2.206 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -13.200 -10.165 -0.860 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -13.031 -9.535 -2.428 1.00 2.95 H new ATOM 351 N GLU A 23 -5.275 -9.154 -0.447 1.00 0.46 N ATOM 352 CA GLU A 23 -4.025 -9.902 -0.367 1.00 0.56 C ATOM 353 C GLU A 23 -2.927 -9.089 0.314 1.00 0.42 C ATOM 354 O GLU A 23 -2.741 -7.906 0.026 1.00 0.42 O ATOM 355 CB GLU A 23 -3.566 -10.323 -1.764 1.00 0.73 C ATOM 356 CG GLU A 23 -2.774 -11.620 -1.774 1.00 1.09 C ATOM 357 CD GLU A 23 -2.544 -12.155 -3.174 1.00 1.33 C ATOM 358 OE1 GLU A 23 -3.533 -12.537 -3.834 1.00 1.63 O ATOM 359 OE2 GLU A 23 -1.374 -12.195 -3.609 1.00 2.13 O ATOM 0 H GLU A 23 -5.170 -8.183 -0.741 1.00 0.46 H new ATOM 0 HA GLU A 23 -4.213 -10.791 0.236 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -4.439 -10.434 -2.407 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -2.954 -9.529 -2.192 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -1.811 -11.457 -1.289 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -3.304 -12.369 -1.186 1.00 1.09 H new ATOM 366 N TRP A 24 -2.197 -9.744 1.211 1.00 0.35 N ATOM 367 CA TRP A 24 -1.102 -9.106 1.935 1.00 0.26 C ATOM 368 C TRP A 24 0.139 -9.992 1.879 1.00 0.24 C ATOM 369 O TRP A 24 0.108 -11.140 2.322 1.00 0.33 O ATOM 370 CB TRP A 24 -1.512 -8.839 3.387 1.00 0.37 C ATOM 371 CG TRP A 24 -1.960 -7.429 3.618 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.172 -7.024 4.091 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.203 -6.238 3.381 1.00 0.36 C ATOM 374 NE1 TRP A 24 -3.215 -5.653 4.166 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.018 -5.148 3.735 1.00 0.47 C ATOM 376 CE3 TRP A 24 0.086 -5.988 2.904 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -1.587 -3.829 3.629 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.513 -4.679 2.798 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.321 -3.614 3.159 1.00 0.70 C ATOM 0 H TRP A 24 -2.345 -10.723 1.455 1.00 0.35 H new ATOM 0 HA TRP A 24 -0.870 -8.150 1.465 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -2.317 -9.520 3.663 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -0.670 -9.059 4.043 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -3.981 -7.684 4.367 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.009 -5.101 4.490 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.736 -6.803 2.623 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -2.228 -3.006 3.908 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.507 -4.473 2.430 1.00 0.83 H new ATOM 0 HH2 TRP A 24 0.043 -2.602 3.064 1.00 0.70 H new ATOM 390 N TYR A 25 1.221 -9.471 1.304 1.00 0.20 N ATOM 391 CA TYR A 25 2.450 -10.251 1.166 1.00 0.31 C ATOM 392 C TYR A 25 3.613 -9.676 1.974 1.00 0.27 C ATOM 393 O TYR A 25 4.701 -10.252 1.987 1.00 0.36 O ATOM 394 CB TYR A 25 2.845 -10.337 -0.310 1.00 0.42 C ATOM 395 CG TYR A 25 2.734 -11.729 -0.891 1.00 0.70 C ATOM 396 CD1 TYR A 25 1.650 -12.546 -0.591 1.00 1.07 C ATOM 397 CD2 TYR A 25 3.712 -12.224 -1.744 1.00 1.16 C ATOM 398 CE1 TYR A 25 1.547 -13.818 -1.123 1.00 1.34 C ATOM 399 CE2 TYR A 25 3.615 -13.494 -2.281 1.00 1.44 C ATOM 400 CZ TYR A 25 2.531 -14.286 -1.968 1.00 1.36 C ATOM 401 OH TYR A 25 2.431 -15.551 -2.501 1.00 1.72 O ATOM 0 H TYR A 25 1.273 -8.523 0.930 1.00 0.20 H new ATOM 0 HA TYR A 25 2.242 -11.244 1.563 1.00 0.31 H new ATOM 0 HB2 TYR A 25 2.212 -9.661 -0.886 1.00 0.42 H new ATOM 0 HB3 TYR A 25 3.871 -9.987 -0.423 1.00 0.42 H new ATOM 0 HD1 TYR A 25 0.876 -12.181 0.068 1.00 1.07 H new ATOM 0 HD2 TYR A 25 4.563 -11.606 -1.992 1.00 1.16 H new ATOM 0 HE1 TYR A 25 0.700 -14.442 -0.878 1.00 1.34 H new ATOM 0 HE2 TYR A 25 4.385 -13.864 -2.942 1.00 1.44 H new ATOM 0 HH TYR A 25 3.205 -15.726 -3.076 1.00 1.72 H new ATOM 411 N VAL A 26 3.399 -8.548 2.639 1.00 0.22 N ATOM 412 CA VAL A 26 4.462 -7.934 3.427 1.00 0.22 C ATOM 413 C VAL A 26 3.996 -7.629 4.851 1.00 0.22 C ATOM 414 O VAL A 26 2.798 -7.627 5.133 1.00 0.31 O ATOM 415 CB VAL A 26 4.980 -6.646 2.747 1.00 0.28 C ATOM 416 CG1 VAL A 26 5.295 -6.913 1.284 1.00 0.50 C ATOM 417 CG2 VAL A 26 3.968 -5.516 2.877 1.00 0.40 C ATOM 0 H VAL A 26 2.512 -8.045 2.650 1.00 0.22 H new ATOM 0 HA VAL A 26 5.281 -8.651 3.484 1.00 0.22 H new ATOM 0 HB VAL A 26 5.896 -6.338 3.252 1.00 0.28 H new ATOM 0 HG11 VAL A 26 5.659 -5.998 0.817 1.00 0.50 H new ATOM 0 HG12 VAL A 26 6.060 -7.686 1.212 1.00 0.50 H new ATOM 0 HG13 VAL A 26 4.392 -7.247 0.773 1.00 0.50 H new ATOM 0 HG21 VAL A 26 4.357 -4.622 2.390 1.00 0.40 H new ATOM 0 HG22 VAL A 26 3.032 -5.810 2.402 1.00 0.40 H new ATOM 0 HG23 VAL A 26 3.790 -5.307 3.932 1.00 0.40 H new ATOM 427 N LYS A 27 4.950 -7.381 5.748 1.00 0.24 N ATOM 428 CA LYS A 27 4.626 -7.086 7.142 1.00 0.26 C ATOM 429 C LYS A 27 5.543 -6.005 7.713 1.00 0.29 C ATOM 430 O LYS A 27 6.585 -5.691 7.139 1.00 0.42 O ATOM 431 CB LYS A 27 4.728 -8.356 7.988 1.00 0.38 C ATOM 432 CG LYS A 27 3.636 -9.372 7.692 1.00 0.61 C ATOM 433 CD LYS A 27 2.347 -9.030 8.421 1.00 0.99 C ATOM 434 CE LYS A 27 1.721 -10.261 9.058 1.00 1.52 C ATOM 435 NZ LYS A 27 0.387 -10.573 8.473 1.00 1.89 N ATOM 0 H LYS A 27 5.948 -7.379 5.535 1.00 0.24 H new ATOM 0 HA LYS A 27 3.603 -6.712 7.173 1.00 0.26 H new ATOM 0 HB2 LYS A 27 5.700 -8.819 7.818 1.00 0.38 H new ATOM 0 HB3 LYS A 27 4.685 -8.085 9.043 1.00 0.38 H new ATOM 0 HG2 LYS A 27 3.450 -9.406 6.618 1.00 0.61 H new ATOM 0 HG3 LYS A 27 3.971 -10.366 7.989 1.00 0.61 H new ATOM 0 HD2 LYS A 27 2.550 -8.285 9.190 1.00 0.99 H new ATOM 0 HD3 LYS A 27 1.641 -8.582 7.722 1.00 0.99 H new ATOM 0 HE2 LYS A 27 2.384 -11.116 8.925 1.00 1.52 H new ATOM 0 HE3 LYS A 27 1.618 -10.102 10.131 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 -0.005 -11.418 8.934 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 -0.254 -9.768 8.622 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 0.488 -10.751 7.453 1.00 1.89 H new ATOM 449 N GLU A 28 5.138 -5.438 8.846 1.00 0.30 N ATOM 450 CA GLU A 28 5.909 -4.387 9.506 1.00 0.34 C ATOM 451 C GLU A 28 7.363 -4.808 9.693 1.00 0.38 C ATOM 452 O GLU A 28 7.642 -5.937 10.099 1.00 0.42 O ATOM 453 CB GLU A 28 5.285 -4.053 10.862 1.00 0.42 C ATOM 454 CG GLU A 28 3.770 -3.947 10.823 1.00 0.35 C ATOM 455 CD GLU A 28 3.087 -5.157 11.427 1.00 1.10 C ATOM 456 OE1 GLU A 28 3.772 -6.179 11.643 1.00 2.03 O ATOM 457 OE2 GLU A 28 1.867 -5.084 11.682 1.00 1.23 O ATOM 0 H GLU A 28 4.276 -5.690 9.329 1.00 0.30 H new ATOM 0 HA GLU A 28 5.889 -3.501 8.871 1.00 0.34 H new ATOM 0 HB2 GLU A 28 5.569 -4.820 11.582 1.00 0.42 H new ATOM 0 HB3 GLU A 28 5.698 -3.110 11.221 1.00 0.42 H new ATOM 0 HG2 GLU A 28 3.458 -3.052 11.361 1.00 0.35 H new ATOM 0 HG3 GLU A 28 3.444 -3.828 9.790 1.00 0.35 H new ATOM 464 N GLY A 29 8.289 -3.899 9.392 1.00 0.39 N ATOM 465 CA GLY A 29 9.699 -4.215 9.536 1.00 0.45 C ATOM 466 C GLY A 29 10.197 -5.169 8.462 1.00 0.40 C ATOM 467 O GLY A 29 11.348 -5.603 8.498 1.00 0.44 O ATOM 0 H GLY A 29 8.089 -2.958 9.054 1.00 0.39 H new ATOM 0 HA2 GLY A 29 10.280 -3.294 9.496 1.00 0.45 H new ATOM 0 HA3 GLY A 29 9.870 -4.657 10.517 1.00 0.45 H new ATOM 471 N ASP A 30 9.324 -5.514 7.517 1.00 0.34 N ATOM 472 CA ASP A 30 9.679 -6.443 6.449 1.00 0.31 C ATOM 473 C ASP A 30 10.110 -5.709 5.189 1.00 0.25 C ATOM 474 O ASP A 30 9.688 -4.582 4.939 1.00 0.24 O ATOM 475 CB ASP A 30 8.492 -7.350 6.125 1.00 0.31 C ATOM 476 CG ASP A 30 8.924 -8.739 5.697 1.00 0.91 C ATOM 477 OD1 ASP A 30 9.128 -9.596 6.582 1.00 1.36 O ATOM 478 OD2 ASP A 30 9.059 -8.969 4.477 1.00 1.27 O ATOM 0 H ASP A 30 8.367 -5.164 7.470 1.00 0.34 H new ATOM 0 HA ASP A 30 10.518 -7.043 6.801 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.848 -7.427 7.001 1.00 0.31 H new ATOM 0 HB3 ASP A 30 7.898 -6.897 5.331 1.00 0.31 H new ATOM 483 N THR A 31 10.944 -6.366 4.391 1.00 0.23 N ATOM 484 CA THR A 31 11.423 -5.785 3.147 1.00 0.18 C ATOM 485 C THR A 31 10.640 -6.334 1.960 1.00 0.18 C ATOM 486 O THR A 31 10.183 -7.477 1.979 1.00 0.30 O ATOM 487 CB THR A 31 12.922 -6.059 2.930 1.00 0.19 C ATOM 488 OG1 THR A 31 13.649 -5.795 4.136 1.00 0.31 O ATOM 489 CG2 THR A 31 13.469 -5.194 1.804 1.00 0.30 C ATOM 0 H THR A 31 11.301 -7.301 4.585 1.00 0.23 H new ATOM 0 HA THR A 31 11.273 -4.708 3.221 1.00 0.18 H new ATOM 0 HB THR A 31 13.042 -7.107 2.657 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.601 -5.974 3.990 1.00 0.31 H new ATOM 0 HG21 THR A 31 14.530 -5.403 1.667 1.00 0.30 H new ATOM 0 HG22 THR A 31 12.933 -5.416 0.881 1.00 0.30 H new ATOM 0 HG23 THR A 31 13.336 -4.142 2.056 1.00 0.30 H new ATOM 497 N VAL A 32 10.487 -5.511 0.933 1.00 0.14 N ATOM 498 CA VAL A 32 9.757 -5.905 -0.264 1.00 0.14 C ATOM 499 C VAL A 32 10.708 -6.193 -1.416 1.00 0.14 C ATOM 500 O VAL A 32 11.856 -5.752 -1.411 1.00 0.18 O ATOM 501 CB VAL A 32 8.737 -4.831 -0.723 1.00 0.20 C ATOM 502 CG1 VAL A 32 7.323 -5.345 -0.535 1.00 0.28 C ATOM 503 CG2 VAL A 32 8.925 -3.505 0.009 1.00 0.18 C ATOM 0 H VAL A 32 10.860 -4.562 0.904 1.00 0.14 H new ATOM 0 HA VAL A 32 9.210 -6.808 0.006 1.00 0.14 H new ATOM 0 HB VAL A 32 8.915 -4.639 -1.781 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.613 -4.584 -0.860 1.00 0.28 H new ATOM 0 HG12 VAL A 32 7.183 -6.249 -1.128 1.00 0.28 H new ATOM 0 HG13 VAL A 32 7.155 -5.572 0.518 1.00 0.28 H new ATOM 0 HG21 VAL A 32 8.188 -2.785 -0.347 1.00 0.18 H new ATOM 0 HG22 VAL A 32 8.794 -3.659 1.080 1.00 0.18 H new ATOM 0 HG23 VAL A 32 9.927 -3.122 -0.183 1.00 0.18 H new ATOM 513 N SER A 33 10.209 -6.930 -2.403 1.00 0.23 N ATOM 514 CA SER A 33 10.994 -7.283 -3.579 1.00 0.31 C ATOM 515 C SER A 33 10.141 -7.170 -4.839 1.00 0.33 C ATOM 516 O SER A 33 8.927 -6.987 -4.759 1.00 0.35 O ATOM 517 CB SER A 33 11.544 -8.702 -3.445 1.00 0.38 C ATOM 518 OG SER A 33 12.535 -8.771 -2.434 1.00 1.42 O ATOM 0 H SER A 33 9.257 -7.296 -2.410 1.00 0.23 H new ATOM 0 HA SER A 33 11.830 -6.588 -3.657 1.00 0.31 H new ATOM 0 HB2 SER A 33 10.732 -9.390 -3.210 1.00 0.38 H new ATOM 0 HB3 SER A 33 11.968 -9.023 -4.397 1.00 0.38 H new ATOM 0 HG SER A 33 12.870 -9.689 -2.367 1.00 1.42 H new ATOM 524 N GLN A 34 10.777 -7.277 -5.999 1.00 0.37 N ATOM 525 CA GLN A 34 10.066 -7.179 -7.270 1.00 0.41 C ATOM 526 C GLN A 34 9.016 -8.279 -7.406 1.00 0.43 C ATOM 527 O GLN A 34 8.069 -8.150 -8.183 1.00 0.52 O ATOM 528 CB GLN A 34 11.053 -7.254 -8.436 1.00 0.44 C ATOM 529 CG GLN A 34 11.218 -5.937 -9.177 1.00 0.76 C ATOM 530 CD GLN A 34 12.606 -5.769 -9.763 1.00 1.54 C ATOM 531 OE1 GLN A 34 13.287 -4.776 -9.502 1.00 2.38 O ATOM 532 NE2 GLN A 34 13.033 -6.739 -10.563 1.00 1.72 N ATOM 0 H GLN A 34 11.781 -7.431 -6.087 1.00 0.37 H new ATOM 0 HA GLN A 34 9.555 -6.217 -7.292 1.00 0.41 H new ATOM 0 HB2 GLN A 34 12.024 -7.574 -8.059 1.00 0.44 H new ATOM 0 HB3 GLN A 34 10.716 -8.017 -9.138 1.00 0.44 H new ATOM 0 HG2 GLN A 34 10.480 -5.879 -9.977 1.00 0.76 H new ATOM 0 HG3 GLN A 34 11.013 -5.112 -8.495 1.00 0.76 H new ATOM 0 HE21 GLN A 34 12.436 -7.544 -10.752 1.00 1.72 H new ATOM 0 HE22 GLN A 34 13.958 -6.679 -10.988 1.00 1.72 H new ATOM 541 N PHE A 35 9.188 -9.361 -6.654 1.00 0.43 N ATOM 542 CA PHE A 35 8.252 -10.480 -6.703 1.00 0.48 C ATOM 543 C PHE A 35 7.302 -10.466 -5.507 1.00 0.43 C ATOM 544 O PHE A 35 6.240 -11.088 -5.543 1.00 0.47 O ATOM 545 CB PHE A 35 9.014 -11.808 -6.751 1.00 0.58 C ATOM 546 CG PHE A 35 9.641 -12.196 -5.441 1.00 0.99 C ATOM 547 CD1 PHE A 35 8.931 -12.940 -4.512 1.00 1.12 C ATOM 548 CD2 PHE A 35 10.939 -11.816 -5.139 1.00 1.86 C ATOM 549 CE1 PHE A 35 9.504 -13.298 -3.307 1.00 1.64 C ATOM 550 CE2 PHE A 35 11.517 -12.172 -3.935 1.00 2.52 C ATOM 551 CZ PHE A 35 10.799 -12.914 -3.018 1.00 2.31 C ATOM 0 H PHE A 35 9.964 -9.487 -6.005 1.00 0.43 H new ATOM 0 HA PHE A 35 7.656 -10.375 -7.609 1.00 0.48 H new ATOM 0 HB2 PHE A 35 8.330 -12.597 -7.064 1.00 0.58 H new ATOM 0 HB3 PHE A 35 9.793 -11.742 -7.510 1.00 0.58 H new ATOM 0 HD1 PHE A 35 7.918 -13.243 -4.733 1.00 1.12 H new ATOM 0 HD2 PHE A 35 11.505 -11.235 -5.852 1.00 1.86 H new ATOM 0 HE1 PHE A 35 8.940 -13.878 -2.591 1.00 1.64 H new ATOM 0 HE2 PHE A 35 12.530 -11.870 -3.712 1.00 2.52 H new ATOM 0 HZ PHE A 35 11.249 -13.193 -2.077 1.00 2.31 H new ATOM 561 N ASP A 36 7.690 -9.765 -4.446 1.00 0.36 N ATOM 562 CA ASP A 36 6.870 -9.688 -3.244 1.00 0.34 C ATOM 563 C ASP A 36 6.025 -8.419 -3.226 1.00 0.25 C ATOM 564 O ASP A 36 6.518 -7.337 -2.906 1.00 0.21 O ATOM 565 CB ASP A 36 7.754 -9.740 -1.997 1.00 0.41 C ATOM 566 CG ASP A 36 7.111 -10.515 -0.864 1.00 0.76 C ATOM 567 OD1 ASP A 36 6.063 -10.063 -0.355 1.00 1.69 O ATOM 568 OD2 ASP A 36 7.654 -11.574 -0.486 1.00 0.84 O ATOM 0 H ASP A 36 8.565 -9.244 -4.395 1.00 0.36 H new ATOM 0 HA ASP A 36 6.196 -10.545 -3.247 1.00 0.34 H new ATOM 0 HB2 ASP A 36 8.709 -10.199 -2.251 1.00 0.41 H new ATOM 0 HB3 ASP A 36 7.967 -8.724 -1.664 1.00 0.41 H new ATOM 573 N SER A 37 4.746 -8.563 -3.557 1.00 0.26 N ATOM 574 CA SER A 37 3.827 -7.432 -3.565 1.00 0.21 C ATOM 575 C SER A 37 3.581 -6.942 -2.141 1.00 0.23 C ATOM 576 O SER A 37 3.811 -7.675 -1.179 1.00 0.28 O ATOM 577 CB SER A 37 2.503 -7.826 -4.221 1.00 0.25 C ATOM 578 OG SER A 37 2.717 -8.698 -5.318 1.00 0.94 O ATOM 0 H SER A 37 4.323 -9.452 -3.823 1.00 0.26 H new ATOM 0 HA SER A 37 4.276 -6.624 -4.143 1.00 0.21 H new ATOM 0 HB2 SER A 37 1.860 -8.311 -3.487 1.00 0.25 H new ATOM 0 HB3 SER A 37 1.981 -6.931 -4.560 1.00 0.25 H new ATOM 0 HG SER A 37 1.855 -8.937 -5.719 1.00 0.94 H new ATOM 584 N ILE A 38 3.117 -5.703 -2.007 1.00 0.22 N ATOM 585 CA ILE A 38 2.853 -5.139 -0.686 1.00 0.27 C ATOM 586 C ILE A 38 1.387 -5.317 -0.299 1.00 0.27 C ATOM 587 O ILE A 38 1.035 -6.268 0.406 1.00 0.27 O ATOM 588 CB ILE A 38 3.247 -3.643 -0.622 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.755 -3.506 -0.838 1.00 0.36 C ATOM 590 CG2 ILE A 38 2.839 -3.024 0.713 1.00 0.34 C ATOM 591 CD1 ILE A 38 5.283 -2.099 -0.660 1.00 0.47 C ATOM 0 H ILE A 38 2.918 -5.076 -2.787 1.00 0.22 H new ATOM 0 HA ILE A 38 3.469 -5.683 0.030 1.00 0.27 H new ATOM 0 HB ILE A 38 2.718 -3.106 -1.410 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.272 -4.167 -0.142 1.00 0.36 H new ATOM 0 HG13 ILE A 38 4.999 -3.849 -1.843 1.00 0.36 H new ATOM 0 HG21 ILE A 38 3.128 -1.973 0.730 1.00 0.34 H new ATOM 0 HG22 ILE A 38 1.759 -3.106 0.837 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.338 -3.551 1.526 1.00 0.34 H new ATOM 0 HD11 ILE A 38 6.360 -2.090 -0.831 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.797 -1.435 -1.374 1.00 0.47 H new ATOM 0 HD13 ILE A 38 5.074 -1.757 0.354 1.00 0.47 H new ATOM 603 N CYS A 39 0.537 -4.405 -0.759 1.00 0.32 N ATOM 604 CA CYS A 39 -0.886 -4.470 -0.452 1.00 0.34 C ATOM 605 C CYS A 39 -1.709 -4.785 -1.699 1.00 0.40 C ATOM 606 O CYS A 39 -1.330 -4.428 -2.814 1.00 0.55 O ATOM 607 CB CYS A 39 -1.355 -3.151 0.179 1.00 0.40 C ATOM 608 SG CYS A 39 -1.618 -1.797 -0.993 1.00 1.29 S ATOM 0 H CYS A 39 0.808 -3.615 -1.344 1.00 0.32 H new ATOM 0 HA CYS A 39 -1.039 -5.279 0.263 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -2.286 -3.333 0.716 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -0.617 -2.835 0.917 1.00 0.40 H new ATOM 0 HG CYS A 39 -1.689 -0.671 -0.347 1.00 1.29 H new ATOM 614 N GLU A 40 -2.841 -5.447 -1.495 1.00 0.36 N ATOM 615 CA GLU A 40 -3.728 -5.802 -2.594 1.00 0.44 C ATOM 616 C GLU A 40 -5.180 -5.572 -2.196 1.00 0.48 C ATOM 617 O GLU A 40 -5.639 -6.090 -1.180 1.00 0.50 O ATOM 618 CB GLU A 40 -3.520 -7.263 -2.997 1.00 0.57 C ATOM 619 CG GLU A 40 -3.696 -7.513 -4.485 1.00 1.15 C ATOM 620 CD GLU A 40 -4.953 -8.301 -4.800 1.00 1.65 C ATOM 621 OE1 GLU A 40 -5.906 -8.245 -3.995 1.00 2.37 O ATOM 622 OE2 GLU A 40 -4.984 -8.973 -5.853 1.00 1.74 O ATOM 0 H GLU A 40 -3.166 -5.749 -0.577 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.492 -5.167 -3.448 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -2.518 -7.574 -2.701 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -4.224 -7.887 -2.446 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -3.730 -6.558 -5.009 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -2.829 -8.053 -4.864 1.00 1.15 H new ATOM 629 N VAL A 41 -5.898 -4.792 -2.996 1.00 0.55 N ATOM 630 CA VAL A 41 -7.297 -4.498 -2.714 1.00 0.64 C ATOM 631 C VAL A 41 -8.172 -4.753 -3.937 1.00 0.92 C ATOM 632 O VAL A 41 -7.692 -4.733 -5.071 1.00 1.08 O ATOM 633 CB VAL A 41 -7.485 -3.041 -2.243 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.578 -2.744 -1.060 1.00 1.35 C ATOM 635 CG2 VAL A 41 -7.222 -2.062 -3.379 1.00 1.32 C ATOM 0 H VAL A 41 -5.535 -4.353 -3.842 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.605 -5.168 -1.911 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.520 -2.918 -1.926 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -6.723 -1.712 -0.740 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -6.821 -3.416 -0.237 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.538 -2.890 -1.353 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.361 -1.042 -3.020 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -6.199 -2.185 -3.735 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -7.917 -2.257 -4.196 1.00 1.32 H new ATOM 645 N GLN A 42 -9.456 -4.995 -3.699 1.00 1.03 N ATOM 646 CA GLN A 42 -10.395 -5.258 -4.784 1.00 1.34 C ATOM 647 C GLN A 42 -11.725 -4.553 -4.547 1.00 1.39 C ATOM 648 O GLN A 42 -12.320 -4.667 -3.475 1.00 1.38 O ATOM 649 CB GLN A 42 -10.626 -6.762 -4.933 1.00 1.58 C ATOM 650 CG GLN A 42 -9.598 -7.452 -5.814 1.00 1.80 C ATOM 651 CD GLN A 42 -9.382 -8.902 -5.430 1.00 2.17 C ATOM 652 OE1 GLN A 42 -10.321 -9.602 -5.050 1.00 2.33 O ATOM 653 NE2 GLN A 42 -8.140 -9.360 -5.525 1.00 2.60 N ATOM 0 H GLN A 42 -9.870 -5.015 -2.767 1.00 1.03 H new ATOM 0 HA GLN A 42 -9.959 -4.867 -5.703 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -10.613 -7.223 -3.945 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -11.619 -6.929 -5.349 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -9.922 -7.399 -6.853 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -8.650 -6.917 -5.748 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -7.392 -8.744 -5.845 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -7.933 -10.328 -5.278 1.00 2.60 H new ATOM 662 N SER A 43 -12.190 -3.831 -5.560 1.00 1.55 N ATOM 663 CA SER A 43 -13.455 -3.113 -5.473 1.00 1.64 C ATOM 664 C SER A 43 -14.443 -3.651 -6.501 1.00 2.05 C ATOM 665 O SER A 43 -14.045 -4.161 -7.549 1.00 2.29 O ATOM 666 CB SER A 43 -13.233 -1.615 -5.692 1.00 1.43 C ATOM 667 OG SER A 43 -13.915 -0.850 -4.713 1.00 1.73 O ATOM 0 H SER A 43 -11.708 -3.728 -6.453 1.00 1.55 H new ATOM 0 HA SER A 43 -13.869 -3.264 -4.476 1.00 1.64 H new ATOM 0 HB2 SER A 43 -12.167 -1.393 -5.654 1.00 1.43 H new ATOM 0 HB3 SER A 43 -13.582 -1.334 -6.686 1.00 1.43 H new ATOM 0 HG SER A 43 -13.756 0.104 -4.874 1.00 1.73 H new ATOM 673 N ASP A 44 -15.733 -3.536 -6.199 1.00 2.23 N ATOM 674 CA ASP A 44 -16.776 -4.015 -7.103 1.00 2.66 C ATOM 675 C ASP A 44 -16.518 -3.543 -8.532 1.00 2.80 C ATOM 676 O ASP A 44 -16.533 -4.338 -9.472 1.00 3.14 O ATOM 677 CB ASP A 44 -18.149 -3.532 -6.632 1.00 2.85 C ATOM 678 CG ASP A 44 -19.283 -4.331 -7.243 1.00 3.67 C ATOM 679 OD1 ASP A 44 -19.204 -5.577 -7.234 1.00 4.39 O ATOM 680 OD2 ASP A 44 -20.250 -3.710 -7.732 1.00 3.89 O ATOM 0 H ASP A 44 -16.082 -3.116 -5.337 1.00 2.23 H new ATOM 0 HA ASP A 44 -16.759 -5.105 -7.092 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -18.203 -3.602 -5.546 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -18.269 -2.480 -6.890 1.00 2.85 H new ATOM 685 N LYS A 45 -16.283 -2.244 -8.685 1.00 2.69 N ATOM 686 CA LYS A 45 -16.022 -1.664 -9.998 1.00 2.92 C ATOM 687 C LYS A 45 -14.799 -2.304 -10.655 1.00 3.03 C ATOM 688 O LYS A 45 -14.898 -2.871 -11.743 1.00 3.65 O ATOM 689 CB LYS A 45 -15.828 -0.148 -9.890 1.00 2.89 C ATOM 690 CG LYS A 45 -14.996 0.292 -8.694 1.00 2.98 C ATOM 691 CD LYS A 45 -15.759 1.267 -7.813 1.00 3.17 C ATOM 692 CE LYS A 45 -14.888 2.442 -7.399 1.00 3.22 C ATOM 693 NZ LYS A 45 -15.283 3.698 -8.096 1.00 3.62 N ATOM 0 H LYS A 45 -16.268 -1.573 -7.917 1.00 2.69 H new ATOM 0 HA LYS A 45 -16.890 -1.865 -10.626 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -15.351 0.212 -10.802 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -16.806 0.329 -9.833 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -14.709 -0.581 -8.108 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -14.075 0.759 -9.042 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -16.636 1.633 -8.348 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -16.121 0.750 -6.924 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -14.961 2.586 -6.321 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -13.845 2.217 -7.620 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -14.666 4.476 -7.787 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -15.189 3.569 -9.124 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -16.271 3.927 -7.865 1.00 3.62 H new ATOM 707 N ALA A 46 -13.648 -2.207 -9.996 1.00 2.58 N ATOM 708 CA ALA A 46 -12.415 -2.775 -10.527 1.00 2.82 C ATOM 709 C ALA A 46 -11.482 -3.221 -9.405 1.00 2.68 C ATOM 710 O ALA A 46 -11.638 -2.812 -8.254 1.00 2.63 O ATOM 711 CB ALA A 46 -11.716 -1.768 -11.428 1.00 2.83 C ATOM 0 H ALA A 46 -13.544 -1.741 -9.095 1.00 2.58 H new ATOM 0 HA ALA A 46 -12.676 -3.655 -11.115 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -10.797 -2.205 -11.818 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -12.373 -1.505 -12.257 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -11.477 -0.872 -10.855 1.00 2.83 H new ATOM 717 N SER A 47 -10.509 -4.058 -9.751 1.00 2.96 N ATOM 718 CA SER A 47 -9.542 -4.558 -8.779 1.00 2.92 C ATOM 719 C SER A 47 -8.209 -3.835 -8.928 1.00 2.26 C ATOM 720 O SER A 47 -7.803 -3.486 -10.037 1.00 2.31 O ATOM 721 CB SER A 47 -9.342 -6.064 -8.952 1.00 3.72 C ATOM 722 OG SER A 47 -10.577 -6.755 -8.883 1.00 4.52 O ATOM 0 H SER A 47 -10.369 -4.405 -10.700 1.00 2.96 H new ATOM 0 HA SER A 47 -9.933 -4.367 -7.780 1.00 2.92 H new ATOM 0 HB2 SER A 47 -8.864 -6.262 -9.911 1.00 3.72 H new ATOM 0 HB3 SER A 47 -8.670 -6.436 -8.178 1.00 3.72 H new ATOM 0 HG SER A 47 -10.410 -7.720 -8.838 1.00 4.52 H new ATOM 728 N VAL A 48 -7.533 -3.604 -7.808 1.00 2.12 N ATOM 729 CA VAL A 48 -6.249 -2.913 -7.824 1.00 1.80 C ATOM 730 C VAL A 48 -5.193 -3.675 -7.030 1.00 1.55 C ATOM 731 O VAL A 48 -5.355 -3.919 -5.834 1.00 1.97 O ATOM 732 CB VAL A 48 -6.372 -1.488 -7.252 1.00 2.53 C ATOM 733 CG1 VAL A 48 -5.173 -0.644 -7.656 1.00 2.98 C ATOM 734 CG2 VAL A 48 -7.669 -0.838 -7.712 1.00 3.50 C ATOM 0 H VAL A 48 -7.851 -3.884 -6.880 1.00 2.12 H new ATOM 0 HA VAL A 48 -5.939 -2.857 -8.868 1.00 1.80 H new ATOM 0 HB VAL A 48 -6.391 -1.554 -6.164 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -5.278 0.359 -7.243 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -4.261 -1.101 -7.272 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -5.120 -0.585 -8.743 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -7.739 0.168 -7.298 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -7.683 -0.784 -8.801 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -8.516 -1.432 -7.367 1.00 3.50 H new ATOM 744 N THR A 49 -4.107 -4.039 -7.703 1.00 1.13 N ATOM 745 CA THR A 49 -3.014 -4.762 -7.065 1.00 0.98 C ATOM 746 C THR A 49 -1.760 -3.900 -7.019 1.00 0.69 C ATOM 747 O THR A 49 -1.369 -3.306 -8.024 1.00 0.71 O ATOM 748 CB THR A 49 -2.699 -6.077 -7.803 1.00 1.22 C ATOM 749 OG1 THR A 49 -2.335 -5.803 -9.161 1.00 1.28 O ATOM 750 CG2 THR A 49 -3.900 -7.011 -7.775 1.00 1.46 C ATOM 0 H THR A 49 -3.960 -3.844 -8.693 1.00 1.13 H new ATOM 0 HA THR A 49 -3.333 -5.001 -6.050 1.00 0.98 H new ATOM 0 HB THR A 49 -1.866 -6.563 -7.295 1.00 1.22 H new ATOM 0 HG1 THR A 49 -1.915 -4.919 -9.215 1.00 1.28 H new ATOM 0 HG21 THR A 49 -3.656 -7.934 -8.302 1.00 1.46 H new ATOM 0 HG22 THR A 49 -4.158 -7.241 -6.741 1.00 1.46 H new ATOM 0 HG23 THR A 49 -4.748 -6.529 -8.262 1.00 1.46 H new ATOM 758 N ILE A 50 -1.137 -3.820 -5.848 1.00 0.66 N ATOM 759 CA ILE A 50 0.063 -3.010 -5.687 1.00 0.49 C ATOM 760 C ILE A 50 1.331 -3.855 -5.710 1.00 0.37 C ATOM 761 O ILE A 50 1.655 -4.551 -4.741 1.00 0.36 O ATOM 762 CB ILE A 50 0.026 -2.204 -4.377 1.00 0.66 C ATOM 763 CG1 ILE A 50 -1.256 -1.375 -4.301 1.00 0.95 C ATOM 764 CG2 ILE A 50 1.250 -1.307 -4.274 1.00 0.78 C ATOM 765 CD1 ILE A 50 -1.411 -0.391 -5.441 1.00 1.01 C ATOM 0 H ILE A 50 -1.441 -4.303 -5.002 1.00 0.66 H new ATOM 0 HA ILE A 50 0.081 -2.325 -6.535 1.00 0.49 H new ATOM 0 HB ILE A 50 0.037 -2.899 -3.538 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -2.114 -2.048 -4.294 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -1.271 -0.830 -3.357 1.00 0.95 H new ATOM 0 HG21 ILE A 50 1.210 -0.743 -3.342 1.00 0.78 H new ATOM 0 HG22 ILE A 50 2.152 -1.919 -4.289 1.00 0.78 H new ATOM 0 HG23 ILE A 50 1.266 -0.616 -5.116 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -2.343 0.161 -5.321 1.00 1.01 H new ATOM 0 HD12 ILE A 50 -0.573 0.306 -5.437 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -1.429 -0.931 -6.388 1.00 1.01 H new ATOM 777 N THR A 51 2.057 -3.766 -6.818 1.00 0.41 N ATOM 778 CA THR A 51 3.304 -4.495 -6.977 1.00 0.44 C ATOM 779 C THR A 51 4.447 -3.723 -6.335 1.00 0.40 C ATOM 780 O THR A 51 4.239 -2.652 -5.766 1.00 0.50 O ATOM 781 CB THR A 51 3.632 -4.740 -8.462 1.00 0.56 C ATOM 782 OG1 THR A 51 3.568 -3.506 -9.187 1.00 0.79 O ATOM 783 CG2 THR A 51 2.665 -5.743 -9.074 1.00 1.04 C ATOM 0 H THR A 51 1.800 -3.193 -7.622 1.00 0.41 H new ATOM 0 HA THR A 51 3.183 -5.460 -6.486 1.00 0.44 H new ATOM 0 HB THR A 51 4.641 -5.148 -8.525 1.00 0.56 H new ATOM 0 HG1 THR A 51 3.779 -3.669 -10.130 1.00 0.79 H new ATOM 0 HG21 THR A 51 2.918 -5.899 -10.123 1.00 1.04 H new ATOM 0 HG22 THR A 51 2.736 -6.690 -8.539 1.00 1.04 H new ATOM 0 HG23 THR A 51 1.647 -5.360 -8.999 1.00 1.04 H new ATOM 791 N SER A 52 5.652 -4.265 -6.422 1.00 0.49 N ATOM 792 CA SER A 52 6.813 -3.611 -5.840 1.00 0.56 C ATOM 793 C SER A 52 7.597 -2.835 -6.893 1.00 0.56 C ATOM 794 O SER A 52 7.717 -1.612 -6.815 1.00 0.66 O ATOM 795 CB SER A 52 7.721 -4.643 -5.169 1.00 0.63 C ATOM 796 OG SER A 52 8.469 -4.058 -4.116 1.00 1.36 O ATOM 0 H SER A 52 5.851 -5.151 -6.887 1.00 0.49 H new ATOM 0 HA SER A 52 6.458 -2.904 -5.091 1.00 0.56 H new ATOM 0 HB2 SER A 52 7.118 -5.463 -4.779 1.00 0.63 H new ATOM 0 HB3 SER A 52 8.400 -5.070 -5.908 1.00 0.63 H new ATOM 0 HG SER A 52 9.393 -4.382 -4.152 1.00 1.36 H new ATOM 802 N ARG A 53 8.146 -3.556 -7.869 1.00 0.54 N ATOM 803 CA ARG A 53 8.939 -2.935 -8.927 1.00 0.63 C ATOM 804 C ARG A 53 10.323 -2.522 -8.395 1.00 0.58 C ATOM 805 O ARG A 53 11.121 -1.926 -9.118 1.00 0.68 O ATOM 806 CB ARG A 53 8.156 -1.744 -9.539 1.00 0.83 C ATOM 807 CG ARG A 53 8.843 -0.377 -9.485 1.00 1.39 C ATOM 808 CD ARG A 53 9.770 -0.172 -10.673 1.00 2.19 C ATOM 809 NE ARG A 53 9.070 0.412 -11.814 1.00 2.73 N ATOM 810 CZ ARG A 53 9.585 0.486 -13.037 1.00 3.54 C ATOM 811 NH1 ARG A 53 10.801 0.012 -13.277 1.00 4.04 N ATOM 812 NH2 ARG A 53 8.884 1.032 -14.021 1.00 4.23 N ATOM 0 H ARG A 53 8.056 -4.569 -7.949 1.00 0.54 H new ATOM 0 HA ARG A 53 9.114 -3.657 -9.725 1.00 0.63 H new ATOM 0 HB2 ARG A 53 7.940 -1.977 -10.582 1.00 0.83 H new ATOM 0 HB3 ARG A 53 7.198 -1.665 -9.025 1.00 0.83 H new ATOM 0 HG2 ARG A 53 8.089 0.410 -9.470 1.00 1.39 H new ATOM 0 HG3 ARG A 53 9.412 -0.291 -8.559 1.00 1.39 H new ATOM 0 HD2 ARG A 53 10.595 0.478 -10.382 1.00 2.19 H new ATOM 0 HD3 ARG A 53 10.204 -1.128 -10.964 1.00 2.19 H new ATOM 0 HE ARG A 53 8.132 0.784 -11.664 1.00 2.73 H new ATOM 0 HH11 ARG A 53 11.342 -0.410 -12.522 1.00 4.04 H new ATOM 0 HH12 ARG A 53 11.195 0.070 -14.216 1.00 4.04 H new ATOM 0 HH21 ARG A 53 7.948 1.396 -13.840 1.00 4.23 H new ATOM 0 HH22 ARG A 53 9.280 1.088 -14.959 1.00 4.23 H new ATOM 826 N TYR A 54 10.593 -2.845 -7.129 1.00 0.45 N ATOM 827 CA TYR A 54 11.858 -2.519 -6.491 1.00 0.41 C ATOM 828 C TYR A 54 11.877 -3.114 -5.090 1.00 0.31 C ATOM 829 O TYR A 54 10.837 -3.522 -4.573 1.00 0.28 O ATOM 830 CB TYR A 54 12.048 -1.001 -6.419 1.00 0.50 C ATOM 831 CG TYR A 54 12.880 -0.437 -7.549 1.00 1.15 C ATOM 832 CD1 TYR A 54 14.234 -0.730 -7.652 1.00 1.89 C ATOM 833 CD2 TYR A 54 12.312 0.388 -8.512 1.00 1.77 C ATOM 834 CE1 TYR A 54 14.998 -0.217 -8.682 1.00 2.72 C ATOM 835 CE2 TYR A 54 13.069 0.904 -9.546 1.00 2.59 C ATOM 836 CZ TYR A 54 14.412 0.600 -9.626 1.00 2.95 C ATOM 837 OH TYR A 54 15.170 1.112 -10.654 1.00 3.88 O ATOM 0 H TYR A 54 9.938 -3.339 -6.523 1.00 0.45 H new ATOM 0 HA TYR A 54 12.675 -2.938 -7.079 1.00 0.41 H new ATOM 0 HB2 TYR A 54 11.070 -0.521 -6.426 1.00 0.50 H new ATOM 0 HB3 TYR A 54 12.521 -0.748 -5.470 1.00 0.50 H new ATOM 0 HD1 TYR A 54 14.697 -1.369 -6.915 1.00 1.89 H new ATOM 0 HD2 TYR A 54 11.261 0.630 -8.451 1.00 1.77 H new ATOM 0 HE1 TYR A 54 16.049 -0.455 -8.748 1.00 2.72 H new ATOM 0 HE2 TYR A 54 12.612 1.542 -10.288 1.00 2.59 H new ATOM 0 HH TYR A 54 14.605 1.666 -11.232 1.00 3.88 H new ATOM 847 N ASP A 55 13.044 -3.158 -4.468 1.00 0.30 N ATOM 848 CA ASP A 55 13.146 -3.701 -3.123 1.00 0.24 C ATOM 849 C ASP A 55 13.180 -2.571 -2.103 1.00 0.23 C ATOM 850 O ASP A 55 13.987 -1.648 -2.209 1.00 0.28 O ATOM 851 CB ASP A 55 14.381 -4.597 -2.994 1.00 0.28 C ATOM 852 CG ASP A 55 14.688 -4.984 -1.558 1.00 1.01 C ATOM 853 OD1 ASP A 55 14.924 -4.074 -0.736 1.00 1.33 O ATOM 854 OD2 ASP A 55 14.692 -6.196 -1.258 1.00 1.52 O ATOM 0 H ASP A 55 13.923 -2.829 -4.866 1.00 0.30 H new ATOM 0 HA ASP A 55 12.267 -4.315 -2.925 1.00 0.24 H new ATOM 0 HB2 ASP A 55 14.230 -5.501 -3.583 1.00 0.28 H new ATOM 0 HB3 ASP A 55 15.243 -4.081 -3.417 1.00 0.28 H new ATOM 859 N GLY A 56 12.284 -2.641 -1.126 1.00 0.18 N ATOM 860 CA GLY A 56 12.219 -1.603 -0.117 1.00 0.18 C ATOM 861 C GLY A 56 11.967 -2.138 1.276 1.00 0.15 C ATOM 862 O GLY A 56 11.570 -3.286 1.448 1.00 0.15 O ATOM 0 H GLY A 56 11.605 -3.394 -1.015 1.00 0.18 H new ATOM 0 HA2 GLY A 56 13.154 -1.044 -0.120 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.427 -0.901 -0.378 1.00 0.18 H new ATOM 866 N VAL A 57 12.204 -1.298 2.276 1.00 0.18 N ATOM 867 CA VAL A 57 12.004 -1.691 3.664 1.00 0.21 C ATOM 868 C VAL A 57 10.675 -1.170 4.207 1.00 0.22 C ATOM 869 O VAL A 57 10.455 0.037 4.275 1.00 0.26 O ATOM 870 CB VAL A 57 13.149 -1.174 4.558 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.919 -1.560 6.013 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.488 -1.703 4.066 1.00 1.11 C ATOM 0 H VAL A 57 12.535 -0.341 2.151 1.00 0.18 H new ATOM 0 HA VAL A 57 11.993 -2.781 3.684 1.00 0.21 H new ATOM 0 HB VAL A 57 13.165 -0.086 4.497 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.740 -1.184 6.623 1.00 1.06 H new ATOM 0 HG12 VAL A 57 11.981 -1.127 6.360 1.00 1.06 H new ATOM 0 HG13 VAL A 57 12.871 -2.646 6.098 1.00 1.06 H new ATOM 0 HG21 VAL A 57 15.285 -1.329 4.708 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.481 -2.793 4.094 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.658 -1.367 3.043 1.00 1.11 H new ATOM 882 N ILE A 58 9.804 -2.092 4.611 1.00 0.21 N ATOM 883 CA ILE A 58 8.502 -1.737 5.171 1.00 0.24 C ATOM 884 C ILE A 58 8.582 -1.782 6.689 1.00 0.33 C ATOM 885 O ILE A 58 9.041 -2.773 7.268 1.00 0.38 O ATOM 886 CB ILE A 58 7.394 -2.688 4.672 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.561 -2.939 3.176 1.00 0.20 C ATOM 888 CG2 ILE A 58 6.011 -2.115 4.957 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.786 -4.136 2.681 1.00 0.17 C ATOM 0 H ILE A 58 9.978 -3.096 4.560 1.00 0.21 H new ATOM 0 HA ILE A 58 8.246 -0.730 4.841 1.00 0.24 H new ATOM 0 HB ILE A 58 7.485 -3.633 5.208 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.238 -2.054 2.628 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.619 -3.083 2.955 1.00 0.20 H new ATOM 0 HG21 ILE A 58 5.249 -2.806 4.595 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.890 -1.972 6.031 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.903 -1.157 4.449 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.949 -4.257 1.610 1.00 0.17 H new ATOM 0 HD12 ILE A 58 7.125 -5.030 3.203 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.723 -3.986 2.872 1.00 0.17 H new ATOM 901 N LYS A 59 8.189 -0.682 7.326 1.00 0.40 N ATOM 902 CA LYS A 59 8.286 -0.565 8.776 1.00 0.53 C ATOM 903 C LYS A 59 6.968 -0.869 9.502 1.00 0.52 C ATOM 904 O LYS A 59 6.987 -1.501 10.558 1.00 0.61 O ATOM 905 CB LYS A 59 8.831 0.841 9.117 1.00 0.65 C ATOM 906 CG LYS A 59 8.140 1.573 10.267 1.00 0.83 C ATOM 907 CD LYS A 59 8.956 2.768 10.744 1.00 1.03 C ATOM 908 CE LYS A 59 9.385 3.659 9.589 1.00 1.51 C ATOM 909 NZ LYS A 59 10.855 3.596 9.356 1.00 2.14 N ATOM 0 H LYS A 59 7.801 0.139 6.861 1.00 0.40 H new ATOM 0 HA LYS A 59 8.977 -1.326 9.139 1.00 0.53 H new ATOM 0 HB2 LYS A 59 9.890 0.749 9.357 1.00 0.65 H new ATOM 0 HB3 LYS A 59 8.760 1.462 8.224 1.00 0.65 H new ATOM 0 HG2 LYS A 59 7.155 1.910 9.944 1.00 0.83 H new ATOM 0 HG3 LYS A 59 7.985 0.883 11.097 1.00 0.83 H new ATOM 0 HD2 LYS A 59 8.367 3.350 11.452 1.00 1.03 H new ATOM 0 HD3 LYS A 59 9.839 2.415 11.278 1.00 1.03 H new ATOM 0 HE2 LYS A 59 8.860 3.357 8.683 1.00 1.51 H new ATOM 0 HE3 LYS A 59 9.094 4.689 9.797 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 11.107 4.217 8.561 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 11.356 3.909 10.212 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 11.129 2.618 9.132 1.00 2.14 H new ATOM 923 N LYS A 60 5.836 -0.425 8.970 1.00 0.44 N ATOM 924 CA LYS A 60 4.566 -0.686 9.644 1.00 0.45 C ATOM 925 C LYS A 60 3.386 -0.756 8.675 1.00 0.37 C ATOM 926 O LYS A 60 3.356 -0.076 7.651 1.00 0.53 O ATOM 927 CB LYS A 60 4.320 0.365 10.745 1.00 0.55 C ATOM 928 CG LYS A 60 3.508 1.582 10.312 1.00 0.76 C ATOM 929 CD LYS A 60 4.166 2.315 9.155 1.00 0.51 C ATOM 930 CE LYS A 60 5.069 3.434 9.646 1.00 0.71 C ATOM 931 NZ LYS A 60 4.288 4.596 10.152 1.00 1.35 N ATOM 0 H LYS A 60 5.767 0.103 8.100 1.00 0.44 H new ATOM 0 HA LYS A 60 4.642 -1.671 10.105 1.00 0.45 H new ATOM 0 HB2 LYS A 60 3.806 -0.117 11.577 1.00 0.55 H new ATOM 0 HB3 LYS A 60 5.284 0.707 11.121 1.00 0.55 H new ATOM 0 HG2 LYS A 60 2.507 1.266 10.020 1.00 0.76 H new ATOM 0 HG3 LYS A 60 3.394 2.262 11.156 1.00 0.76 H new ATOM 0 HD2 LYS A 60 4.748 1.611 8.561 1.00 0.51 H new ATOM 0 HD3 LYS A 60 3.398 2.727 8.500 1.00 0.51 H new ATOM 0 HE2 LYS A 60 5.715 3.058 10.439 1.00 0.71 H new ATOM 0 HE3 LYS A 60 5.719 3.759 8.833 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 4.909 5.428 10.222 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 3.507 4.801 9.497 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 3.902 4.372 11.091 1.00 1.35 H new ATOM 945 N LEU A 61 2.409 -1.582 9.037 1.00 0.35 N ATOM 946 CA LEU A 61 1.201 -1.761 8.243 1.00 0.37 C ATOM 947 C LEU A 61 -0.019 -1.789 9.160 1.00 0.56 C ATOM 948 O LEU A 61 -0.182 -2.711 9.959 1.00 0.94 O ATOM 949 CB LEU A 61 1.281 -3.058 7.435 1.00 0.39 C ATOM 950 CG LEU A 61 2.434 -3.134 6.430 1.00 0.33 C ATOM 951 CD1 LEU A 61 3.430 -4.203 6.846 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.904 -3.417 5.036 1.00 0.91 C ATOM 0 H LEU A 61 2.433 -2.144 9.888 1.00 0.35 H new ATOM 0 HA LEU A 61 1.108 -0.926 7.549 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.370 -3.894 8.129 1.00 0.39 H new ATOM 0 HB3 LEU A 61 0.342 -3.190 6.897 1.00 0.39 H new ATOM 0 HG LEU A 61 2.945 -2.171 6.417 1.00 0.33 H new ATOM 0 HD11 LEU A 61 4.243 -4.244 6.121 1.00 1.14 H new ATOM 0 HD12 LEU A 61 3.833 -3.962 7.830 1.00 1.14 H new ATOM 0 HD13 LEU A 61 2.930 -5.171 6.886 1.00 1.14 H new ATOM 0 HD21 LEU A 61 2.736 -3.468 4.334 1.00 0.91 H new ATOM 0 HD22 LEU A 61 1.370 -4.367 5.036 1.00 0.91 H new ATOM 0 HD23 LEU A 61 1.225 -2.619 4.736 1.00 0.91 H new ATOM 964 N TYR A 62 -0.860 -0.765 9.061 1.00 0.68 N ATOM 965 CA TYR A 62 -2.048 -0.668 9.906 1.00 0.88 C ATOM 966 C TYR A 62 -3.233 -1.433 9.321 1.00 0.75 C ATOM 967 O TYR A 62 -3.994 -2.064 10.054 1.00 0.87 O ATOM 968 CB TYR A 62 -2.433 0.798 10.111 1.00 1.16 C ATOM 969 CG TYR A 62 -3.353 1.021 11.290 1.00 1.24 C ATOM 970 CD1 TYR A 62 -2.914 0.804 12.589 1.00 1.55 C ATOM 971 CD2 TYR A 62 -4.662 1.447 11.102 1.00 1.81 C ATOM 972 CE1 TYR A 62 -3.753 1.005 13.669 1.00 2.07 C ATOM 973 CE2 TYR A 62 -5.507 1.650 12.176 1.00 2.35 C ATOM 974 CZ TYR A 62 -5.048 1.427 13.457 1.00 2.38 C ATOM 975 OH TYR A 62 -5.887 1.627 14.530 1.00 3.08 O ATOM 0 H TYR A 62 -0.743 0.008 8.406 1.00 0.68 H new ATOM 0 HA TYR A 62 -1.799 -1.121 10.865 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -1.527 1.387 10.251 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -2.917 1.168 9.207 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -1.900 0.473 12.759 1.00 1.55 H new ATOM 0 HD2 TYR A 62 -5.025 1.622 10.100 1.00 1.81 H new ATOM 0 HE1 TYR A 62 -3.396 0.832 14.673 1.00 2.07 H new ATOM 0 HE2 TYR A 62 -6.522 1.982 12.013 1.00 2.35 H new ATOM 0 HH TYR A 62 -6.764 1.925 14.209 1.00 3.08 H new ATOM 985 N TYR A 63 -3.399 -1.362 8.005 1.00 0.64 N ATOM 986 CA TYR A 63 -4.511 -2.040 7.346 1.00 0.62 C ATOM 987 C TYR A 63 -4.139 -3.462 6.942 1.00 0.63 C ATOM 988 O TYR A 63 -3.034 -3.718 6.464 1.00 0.73 O ATOM 989 CB TYR A 63 -4.961 -1.247 6.119 1.00 0.79 C ATOM 990 CG TYR A 63 -5.396 0.164 6.443 1.00 1.02 C ATOM 991 CD1 TYR A 63 -6.059 0.450 7.630 1.00 1.16 C ATOM 992 CD2 TYR A 63 -5.141 1.210 5.566 1.00 1.28 C ATOM 993 CE1 TYR A 63 -6.457 1.737 7.933 1.00 1.45 C ATOM 994 CE2 TYR A 63 -5.534 2.501 5.863 1.00 1.56 C ATOM 995 CZ TYR A 63 -6.192 2.759 7.047 1.00 1.60 C ATOM 996 OH TYR A 63 -6.585 4.043 7.347 1.00 1.93 O ATOM 0 H TYR A 63 -2.783 -0.846 7.377 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.334 -2.098 8.059 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.144 -1.211 5.399 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -5.786 -1.773 5.638 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -6.267 -0.348 8.328 1.00 1.16 H new ATOM 0 HD2 TYR A 63 -4.627 1.011 4.637 1.00 1.28 H new ATOM 0 HE1 TYR A 63 -6.973 1.942 8.859 1.00 1.45 H new ATOM 0 HE2 TYR A 63 -5.327 3.304 5.171 1.00 1.56 H new ATOM 0 HH TYR A 63 -7.561 4.076 7.428 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.079 -4.382 7.134 1.00 0.63 N ATOM 1007 CA ASN A 64 -4.868 -5.780 6.788 1.00 0.67 C ATOM 1008 C ASN A 64 -5.935 -6.268 5.817 1.00 0.49 C ATOM 1009 O ASN A 64 -6.754 -5.493 5.325 1.00 0.47 O ATOM 1010 CB ASN A 64 -4.885 -6.659 8.039 1.00 0.93 C ATOM 1011 CG ASN A 64 -3.769 -6.315 9.007 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -3.889 -5.384 9.803 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -2.676 -7.066 8.942 1.00 1.03 N ATOM 0 H ASN A 64 -5.998 -4.181 7.529 1.00 0.63 H new ATOM 0 HA ASN A 64 -3.891 -5.854 6.311 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -5.845 -6.549 8.543 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -4.797 -7.705 7.745 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -1.892 -6.881 9.568 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -2.620 -7.828 8.266 1.00 1.03 H new ATOM 1020 N LEU A 65 -5.908 -7.565 5.554 1.00 0.54 N ATOM 1021 CA LEU A 65 -6.848 -8.202 4.651 1.00 0.54 C ATOM 1022 C LEU A 65 -8.304 -7.945 5.049 1.00 0.66 C ATOM 1023 O LEU A 65 -9.216 -8.135 4.244 1.00 0.77 O ATOM 1024 CB LEU A 65 -6.572 -9.703 4.641 1.00 0.66 C ATOM 1025 CG LEU A 65 -5.309 -10.121 3.889 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -4.269 -10.668 4.855 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -5.639 -11.151 2.820 1.00 1.04 C ATOM 0 H LEU A 65 -5.229 -8.207 5.964 1.00 0.54 H new ATOM 0 HA LEU A 65 -6.709 -7.775 3.658 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -6.495 -10.050 5.671 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -7.427 -10.212 4.196 1.00 0.66 H new ATOM 0 HG LEU A 65 -4.894 -9.240 3.400 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -3.377 -10.961 4.302 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -4.009 -9.900 5.583 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -4.675 -11.536 5.374 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -4.727 -11.436 2.296 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -6.079 -12.032 3.287 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -6.347 -10.724 2.110 1.00 1.04 H new ATOM 1039 N ASP A 66 -8.527 -7.539 6.294 1.00 0.75 N ATOM 1040 CA ASP A 66 -9.884 -7.290 6.778 1.00 0.92 C ATOM 1041 C ASP A 66 -10.178 -5.800 6.944 1.00 0.87 C ATOM 1042 O ASP A 66 -11.335 -5.383 6.897 1.00 1.00 O ATOM 1043 CB ASP A 66 -10.103 -8.008 8.111 1.00 1.12 C ATOM 1044 CG ASP A 66 -11.036 -9.196 7.980 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -12.266 -8.985 7.956 1.00 2.33 O ATOM 1046 OD2 ASP A 66 -10.536 -10.338 7.902 1.00 2.30 O ATOM 0 H ASP A 66 -7.793 -7.376 6.983 1.00 0.75 H new ATOM 0 HA ASP A 66 -10.571 -7.679 6.026 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -9.143 -8.345 8.501 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -10.513 -7.305 8.836 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.138 -5.004 7.163 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.312 -3.568 7.363 1.00 0.81 C ATOM 1053 C ASP A 67 -9.495 -2.818 6.044 1.00 0.69 C ATOM 1054 O ASP A 67 -9.092 -3.289 4.973 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.124 -2.993 8.134 1.00 0.92 C ATOM 1056 CG ASP A 67 -8.559 -2.121 9.295 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -9.463 -1.281 9.102 1.00 1.54 O ATOM 1058 OD2 ASP A 67 -7.996 -2.279 10.399 1.00 1.85 O ATOM 0 H ASP A 67 -8.171 -5.325 7.207 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.224 -3.431 7.945 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -7.507 -3.810 8.508 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -7.503 -2.408 7.456 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.115 -1.640 6.148 1.00 0.83 N ATOM 1064 CA ILE A 68 -10.381 -0.781 4.996 1.00 0.78 C ATOM 1065 C ILE A 68 -9.481 0.437 5.004 1.00 0.99 C ATOM 1066 O ILE A 68 -9.203 1.015 6.054 1.00 1.38 O ATOM 1067 CB ILE A 68 -11.839 -0.272 4.972 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -12.787 -1.239 5.688 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.286 -0.041 3.538 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -12.826 -2.616 5.070 1.00 1.10 C ATOM 0 H ILE A 68 -10.446 -1.257 7.033 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.192 -1.398 4.117 1.00 0.78 H new ATOM 0 HB ILE A 68 -11.875 0.675 5.511 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -12.483 -1.327 6.731 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -13.793 -0.819 5.683 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.315 0.318 3.531 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -11.640 0.702 3.071 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.224 -0.977 2.982 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -13.518 -3.246 5.629 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -13.159 -2.541 4.035 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -11.829 -3.056 5.099 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.052 0.838 3.821 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.212 2.007 3.681 1.00 1.34 C ATOM 1084 C ALA A 69 -9.025 3.158 3.103 1.00 1.19 C ATOM 1085 O ALA A 69 -9.939 2.940 2.295 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.007 1.695 2.809 1.00 2.16 C ATOM 0 H ALA A 69 -9.274 0.368 2.943 1.00 1.00 H new ATOM 0 HA ALA A 69 -7.843 2.303 4.663 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.386 2.586 2.714 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.425 0.894 3.265 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.344 1.381 1.821 1.00 2.16 H new ATOM 1092 N TYR A 70 -8.700 4.375 3.531 1.00 1.18 N ATOM 1093 CA TYR A 70 -9.404 5.568 3.069 1.00 1.38 C ATOM 1094 C TYR A 70 -8.456 6.505 2.334 1.00 1.17 C ATOM 1095 O TYR A 70 -7.262 6.560 2.629 1.00 1.21 O ATOM 1096 CB TYR A 70 -10.075 6.318 4.233 1.00 1.97 C ATOM 1097 CG TYR A 70 -9.901 5.673 5.593 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -10.647 4.559 5.956 1.00 3.47 C ATOM 1099 CD2 TYR A 70 -8.989 6.179 6.511 1.00 3.17 C ATOM 1100 CE1 TYR A 70 -10.492 3.969 7.196 1.00 4.42 C ATOM 1101 CE2 TYR A 70 -8.827 5.595 7.753 1.00 4.07 C ATOM 1102 CZ TYR A 70 -9.580 4.490 8.090 1.00 4.67 C ATOM 1103 OH TYR A 70 -9.423 3.906 9.326 1.00 5.65 O ATOM 0 H TYR A 70 -7.952 4.561 4.199 1.00 1.18 H new ATOM 0 HA TYR A 70 -10.182 5.235 2.382 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -9.673 7.330 4.273 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -11.141 6.406 4.023 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -11.360 4.147 5.257 1.00 3.47 H new ATOM 0 HD2 TYR A 70 -8.397 7.043 6.250 1.00 3.17 H new ATOM 0 HE1 TYR A 70 -11.082 3.105 7.464 1.00 4.42 H new ATOM 0 HE2 TYR A 70 -8.115 6.002 8.456 1.00 4.07 H new ATOM 0 HH TYR A 70 -8.741 4.393 9.834 1.00 5.65 H new ATOM 1113 N VAL A 71 -8.997 7.233 1.366 1.00 1.69 N ATOM 1114 CA VAL A 71 -8.207 8.164 0.570 1.00 2.02 C ATOM 1115 C VAL A 71 -7.977 9.475 1.313 1.00 2.00 C ATOM 1116 O VAL A 71 -8.878 9.993 1.973 1.00 2.35 O ATOM 1117 CB VAL A 71 -8.883 8.476 -0.781 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -7.858 8.969 -1.790 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -9.621 7.257 -1.317 1.00 3.61 C ATOM 0 H VAL A 71 -9.984 7.196 1.112 1.00 1.69 H new ATOM 0 HA VAL A 71 -7.250 7.675 0.388 1.00 2.02 H new ATOM 0 HB VAL A 71 -9.615 9.267 -0.618 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -8.354 9.184 -2.737 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -7.385 9.876 -1.414 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -7.100 8.201 -1.943 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -10.088 7.505 -2.270 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -8.916 6.439 -1.461 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -10.388 6.954 -0.605 1.00 3.61 H new ATOM 1129 N GLY A 72 -6.768 10.011 1.193 1.00 1.84 N ATOM 1130 CA GLY A 72 -6.440 11.263 1.847 1.00 1.87 C ATOM 1131 C GLY A 72 -5.270 11.144 2.804 1.00 1.57 C ATOM 1132 O GLY A 72 -4.648 12.146 3.155 1.00 1.63 O ATOM 0 H GLY A 72 -6.007 9.599 0.653 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -6.208 12.012 1.090 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -7.313 11.621 2.392 1.00 1.87 H new ATOM 1136 N LYS A 73 -4.964 9.921 3.225 1.00 1.31 N ATOM 1137 CA LYS A 73 -3.857 9.689 4.147 1.00 1.09 C ATOM 1138 C LYS A 73 -3.178 8.350 3.865 1.00 0.83 C ATOM 1139 O LYS A 73 -3.848 7.326 3.732 1.00 0.79 O ATOM 1140 CB LYS A 73 -4.358 9.713 5.593 1.00 1.27 C ATOM 1141 CG LYS A 73 -4.853 11.075 6.049 1.00 1.59 C ATOM 1142 CD LYS A 73 -3.749 11.869 6.726 1.00 1.98 C ATOM 1143 CE LYS A 73 -3.647 11.528 8.203 1.00 2.32 C ATOM 1144 NZ LYS A 73 -3.458 12.744 9.041 1.00 2.96 N ATOM 0 H LYS A 73 -5.465 9.078 2.944 1.00 1.31 H new ATOM 0 HA LYS A 73 -3.128 10.486 4.001 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -5.166 8.989 5.700 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -3.552 9.391 6.252 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -5.230 11.632 5.192 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -5.687 10.948 6.739 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -2.797 11.662 6.237 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -3.942 12.935 6.610 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -4.551 11.006 8.519 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -2.813 10.845 8.361 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -3.393 12.469 10.042 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -2.583 13.228 8.757 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -4.266 13.385 8.910 1.00 2.96 H new ATOM 1158 N PRO A 74 -1.836 8.332 3.780 1.00 0.75 N ATOM 1159 CA PRO A 74 -1.082 7.100 3.526 1.00 0.64 C ATOM 1160 C PRO A 74 -1.423 6.016 4.542 1.00 0.53 C ATOM 1161 O PRO A 74 -1.956 6.307 5.612 1.00 0.75 O ATOM 1162 CB PRO A 74 0.379 7.534 3.671 1.00 0.77 C ATOM 1163 CG PRO A 74 0.367 8.999 3.407 1.00 0.87 C ATOM 1164 CD PRO A 74 -0.949 9.499 3.936 1.00 0.91 C ATOM 0 HA PRO A 74 -1.308 6.669 2.550 1.00 0.64 H new ATOM 0 HB2 PRO A 74 0.760 7.315 4.668 1.00 0.77 H new ATOM 0 HB3 PRO A 74 1.020 7.009 2.962 1.00 0.77 H new ATOM 0 HG2 PRO A 74 1.202 9.493 3.904 1.00 0.87 H new ATOM 0 HG3 PRO A 74 0.464 9.205 2.341 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -0.873 9.811 4.978 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -1.310 10.359 3.371 1.00 0.91 H new ATOM 1172 N LEU A 75 -1.126 4.767 4.203 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.422 3.655 5.098 1.00 0.49 C ATOM 1174 C LEU A 75 -0.161 2.883 5.481 1.00 0.46 C ATOM 1175 O LEU A 75 -0.090 2.303 6.564 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.443 2.713 4.456 1.00 0.64 C ATOM 1177 CG LEU A 75 -1.874 1.726 3.434 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -1.702 0.350 4.060 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -2.774 1.649 2.210 1.00 1.32 C ATOM 0 H LEU A 75 -0.684 4.500 3.323 1.00 0.40 H new ATOM 0 HA LEU A 75 -1.844 4.073 6.012 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -2.937 2.147 5.246 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -3.210 3.314 3.967 1.00 0.64 H new ATOM 0 HG LEU A 75 -0.894 2.083 3.118 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -1.296 -0.339 3.319 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -1.017 0.418 4.905 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -2.669 -0.016 4.405 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -2.354 0.943 1.494 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -3.768 1.315 2.509 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -2.846 2.634 1.749 1.00 1.32 H new ATOM 1191 N VAL A 76 0.829 2.865 4.592 1.00 0.32 N ATOM 1192 CA VAL A 76 2.071 2.143 4.868 1.00 0.29 C ATOM 1193 C VAL A 76 3.299 2.935 4.434 1.00 0.27 C ATOM 1194 O VAL A 76 3.251 3.678 3.458 1.00 0.35 O ATOM 1195 CB VAL A 76 2.090 0.773 4.161 1.00 0.36 C ATOM 1196 CG1 VAL A 76 2.126 0.949 2.651 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.276 -0.054 4.633 1.00 0.47 C ATOM 0 H VAL A 76 0.799 3.334 3.687 1.00 0.32 H new ATOM 0 HA VAL A 76 2.107 1.999 5.948 1.00 0.29 H new ATOM 0 HB VAL A 76 1.175 0.240 4.420 1.00 0.36 H new ATOM 0 HG11 VAL A 76 2.139 -0.029 2.171 1.00 0.37 H new ATOM 0 HG12 VAL A 76 1.243 1.500 2.328 1.00 0.37 H new ATOM 0 HG13 VAL A 76 3.022 1.503 2.370 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.273 -1.018 4.124 1.00 0.47 H new ATOM 0 HG22 VAL A 76 4.202 0.474 4.405 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.204 -0.212 5.709 1.00 0.47 H new ATOM 1207 N ASP A 77 4.402 2.757 5.162 1.00 0.30 N ATOM 1208 CA ASP A 77 5.650 3.442 4.844 1.00 0.41 C ATOM 1209 C ASP A 77 6.721 2.435 4.439 1.00 0.38 C ATOM 1210 O ASP A 77 6.952 1.445 5.137 1.00 0.41 O ATOM 1211 CB ASP A 77 6.146 4.266 6.036 1.00 0.58 C ATOM 1212 CG ASP A 77 5.023 4.958 6.788 1.00 0.78 C ATOM 1213 OD1 ASP A 77 4.024 4.288 7.119 1.00 0.87 O ATOM 1214 OD2 ASP A 77 5.148 6.173 7.053 1.00 1.10 O ATOM 0 H ASP A 77 4.454 2.144 5.975 1.00 0.30 H new ATOM 0 HA ASP A 77 5.455 4.117 4.011 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.687 3.614 6.722 1.00 0.58 H new ATOM 0 HB3 ASP A 77 6.855 5.015 5.683 1.00 0.58 H new ATOM 1219 N ILE A 78 7.366 2.687 3.306 1.00 0.44 N ATOM 1220 CA ILE A 78 8.406 1.795 2.803 1.00 0.42 C ATOM 1221 C ILE A 78 9.563 2.584 2.213 1.00 0.41 C ATOM 1222 O ILE A 78 9.362 3.662 1.670 1.00 0.51 O ATOM 1223 CB ILE A 78 7.867 0.847 1.711 1.00 0.42 C ATOM 1224 CG1 ILE A 78 6.387 0.538 1.944 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.688 -0.431 1.671 1.00 0.48 C ATOM 1226 CD1 ILE A 78 5.460 1.547 1.304 1.00 0.86 C ATOM 0 H ILE A 78 7.188 3.501 2.718 1.00 0.44 H new ATOM 0 HA ILE A 78 8.747 1.209 3.656 1.00 0.42 H new ATOM 0 HB ILE A 78 7.957 1.344 0.745 1.00 0.42 H new ATOM 0 HG12 ILE A 78 6.163 -0.453 1.549 1.00 0.53 H new ATOM 0 HG13 ILE A 78 6.194 0.505 3.016 1.00 0.53 H new ATOM 0 HG21 ILE A 78 8.297 -1.091 0.896 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.728 -0.189 1.451 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.629 -0.932 2.637 1.00 0.48 H new ATOM 0 HD11 ILE A 78 4.425 1.270 1.507 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.658 2.536 1.716 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.627 1.563 0.227 1.00 0.86 H new ATOM 1238 N GLU A 79 10.772 2.041 2.293 1.00 0.29 N ATOM 1239 CA GLU A 79 11.926 2.728 1.731 1.00 0.29 C ATOM 1240 C GLU A 79 12.244 2.163 0.354 1.00 0.47 C ATOM 1241 O GLU A 79 12.635 1.007 0.220 1.00 0.79 O ATOM 1242 CB GLU A 79 13.138 2.581 2.652 1.00 0.62 C ATOM 1243 CG GLU A 79 13.529 3.874 3.347 1.00 0.92 C ATOM 1244 CD GLU A 79 14.838 4.441 2.833 1.00 0.96 C ATOM 1245 OE1 GLU A 79 14.924 4.730 1.621 1.00 1.09 O ATOM 1246 OE2 GLU A 79 15.777 4.599 3.642 1.00 1.39 O ATOM 0 H GLU A 79 10.976 1.144 2.733 1.00 0.29 H new ATOM 0 HA GLU A 79 11.690 3.788 1.637 1.00 0.29 H new ATOM 0 HB2 GLU A 79 12.923 1.823 3.405 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.986 2.220 2.070 1.00 0.62 H new ATOM 0 HG2 GLU A 79 12.738 4.611 3.206 1.00 0.92 H new ATOM 0 HG3 GLU A 79 13.611 3.695 4.419 1.00 0.92 H new ATOM 1253 N THR A 80 12.059 2.994 -0.664 1.00 0.64 N ATOM 1254 CA THR A 80 12.307 2.599 -2.043 1.00 1.05 C ATOM 1255 C THR A 80 12.907 3.752 -2.836 1.00 1.00 C ATOM 1256 O THR A 80 12.741 4.916 -2.471 1.00 1.22 O ATOM 1257 CB THR A 80 11.010 2.135 -2.733 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.877 2.606 -2.002 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.948 0.621 -2.826 1.00 1.18 C ATOM 0 H THR A 80 11.735 3.955 -0.557 1.00 0.64 H new ATOM 0 HA THR A 80 13.013 1.769 -2.019 1.00 1.05 H new ATOM 0 HB THR A 80 11.001 2.547 -3.742 1.00 1.51 H new ATOM 0 HG1 THR A 80 9.055 2.323 -2.455 1.00 2.39 H new ATOM 0 HG21 THR A 80 10.021 0.324 -3.317 1.00 1.18 H new ATOM 0 HG22 THR A 80 11.798 0.257 -3.403 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.980 0.193 -1.824 1.00 1.18 H new ATOM 1267 N GLU A 81 13.596 3.432 -3.924 1.00 1.27 N ATOM 1268 CA GLU A 81 14.201 4.461 -4.758 1.00 1.30 C ATOM 1269 C GLU A 81 13.136 5.447 -5.229 1.00 1.99 C ATOM 1270 O GLU A 81 11.958 5.101 -5.322 1.00 2.56 O ATOM 1271 CB GLU A 81 14.899 3.829 -5.963 1.00 1.53 C ATOM 1272 CG GLU A 81 16.350 4.255 -6.119 1.00 1.62 C ATOM 1273 CD GLU A 81 16.842 4.137 -7.548 1.00 2.40 C ATOM 1274 OE1 GLU A 81 16.587 3.090 -8.179 1.00 2.85 O ATOM 1275 OE2 GLU A 81 17.480 5.093 -8.036 1.00 3.13 O ATOM 0 H GLU A 81 13.749 2.477 -4.247 1.00 1.27 H new ATOM 0 HA GLU A 81 14.943 4.996 -4.166 1.00 1.30 H new ATOM 0 HB2 GLU A 81 14.856 2.744 -5.869 1.00 1.53 H new ATOM 0 HB3 GLU A 81 14.352 4.093 -6.868 1.00 1.53 H new ATOM 0 HG2 GLU A 81 16.460 5.287 -5.785 1.00 1.62 H new ATOM 0 HG3 GLU A 81 16.976 3.642 -5.471 1.00 1.62 H new ATOM 1282 N ALA A 82 13.553 6.680 -5.512 1.00 2.01 N ATOM 1283 CA ALA A 82 12.635 7.729 -5.962 1.00 2.67 C ATOM 1284 C ALA A 82 11.588 7.193 -6.938 1.00 3.02 C ATOM 1285 O ALA A 82 11.918 6.765 -8.045 1.00 3.10 O ATOM 1286 CB ALA A 82 13.413 8.870 -6.599 1.00 2.85 C ATOM 0 H ALA A 82 14.525 6.980 -5.438 1.00 2.01 H new ATOM 0 HA ALA A 82 12.105 8.099 -5.085 1.00 2.67 H new ATOM 0 HB1 ALA A 82 12.720 9.643 -6.929 1.00 2.85 H new ATOM 0 HB2 ALA A 82 14.105 9.291 -5.869 1.00 2.85 H new ATOM 0 HB3 ALA A 82 13.973 8.495 -7.456 1.00 2.85 H new ATOM 1292 N LEU A 83 10.326 7.219 -6.517 1.00 3.31 N ATOM 1293 CA LEU A 83 9.230 6.735 -7.349 1.00 3.73 C ATOM 1294 C LEU A 83 8.198 7.834 -7.591 1.00 4.31 C ATOM 1295 O LEU A 83 7.953 8.672 -6.724 1.00 4.31 O ATOM 1296 CB LEU A 83 8.560 5.523 -6.700 1.00 3.56 C ATOM 1297 CG LEU A 83 9.147 4.167 -7.103 1.00 3.51 C ATOM 1298 CD1 LEU A 83 9.764 3.470 -5.900 1.00 3.49 C ATOM 1299 CD2 LEU A 83 8.078 3.290 -7.739 1.00 3.60 C ATOM 0 H LEU A 83 10.038 7.571 -5.604 1.00 3.31 H new ATOM 0 HA LEU A 83 9.647 6.437 -8.311 1.00 3.73 H new ATOM 0 HB2 LEU A 83 8.629 5.625 -5.617 1.00 3.56 H new ATOM 0 HB3 LEU A 83 7.500 5.533 -6.954 1.00 3.56 H new ATOM 0 HG LEU A 83 9.933 4.339 -7.838 1.00 3.51 H new ATOM 0 HD11 LEU A 83 10.175 2.509 -6.208 1.00 3.49 H new ATOM 0 HD12 LEU A 83 10.560 4.090 -5.489 1.00 3.49 H new ATOM 0 HD13 LEU A 83 8.999 3.311 -5.140 1.00 3.49 H new ATOM 0 HD21 LEU A 83 8.513 2.331 -8.019 1.00 3.60 H new ATOM 0 HD22 LEU A 83 7.269 3.127 -7.026 1.00 3.60 H new ATOM 0 HD23 LEU A 83 7.684 3.783 -8.628 1.00 3.60 H new ATOM 1311 N LYS A 84 7.603 7.823 -8.778 1.00 4.85 N ATOM 1312 CA LYS A 84 6.598 8.816 -9.148 1.00 5.44 C ATOM 1313 C LYS A 84 5.244 8.506 -8.512 1.00 5.34 C ATOM 1314 O LYS A 84 4.394 9.385 -8.388 1.00 5.61 O ATOM 1315 CB LYS A 84 6.452 8.885 -10.670 1.00 6.29 C ATOM 1316 CG LYS A 84 6.400 7.522 -11.340 1.00 6.80 C ATOM 1317 CD LYS A 84 5.347 7.479 -12.436 1.00 7.13 C ATOM 1318 CE LYS A 84 3.956 7.265 -11.862 1.00 7.72 C ATOM 1319 NZ LYS A 84 2.981 8.265 -12.378 1.00 8.33 N ATOM 0 H LYS A 84 7.799 7.135 -9.505 1.00 4.85 H new ATOM 0 HA LYS A 84 6.937 9.782 -8.773 1.00 5.44 H new ATOM 0 HB2 LYS A 84 5.544 9.435 -10.915 1.00 6.29 H new ATOM 0 HB3 LYS A 84 7.288 9.451 -11.081 1.00 6.29 H new ATOM 0 HG2 LYS A 84 7.376 7.286 -11.763 1.00 6.80 H new ATOM 0 HG3 LYS A 84 6.182 6.757 -10.595 1.00 6.80 H new ATOM 0 HD2 LYS A 84 5.370 8.411 -13.001 1.00 7.13 H new ATOM 0 HD3 LYS A 84 5.581 6.677 -13.136 1.00 7.13 H new ATOM 0 HE2 LYS A 84 3.612 6.261 -12.110 1.00 7.72 H new ATOM 0 HE3 LYS A 84 3.999 7.328 -10.775 1.00 7.72 H new ATOM 0 HZ1 LYS A 84 2.045 8.084 -11.962 1.00 8.33 H new ATOM 0 HZ2 LYS A 84 3.296 9.222 -12.119 1.00 8.33 H new ATOM 0 HZ3 LYS A 84 2.920 8.189 -13.413 1.00 8.33 H new ATOM 1333 N ASP A 85 5.042 7.248 -8.130 1.00 5.08 N ATOM 1334 CA ASP A 85 3.784 6.809 -7.523 1.00 5.19 C ATOM 1335 C ASP A 85 3.215 7.838 -6.541 1.00 4.88 C ATOM 1336 O ASP A 85 2.034 8.178 -6.607 1.00 5.42 O ATOM 1337 CB ASP A 85 3.990 5.476 -6.803 1.00 4.91 C ATOM 1338 CG ASP A 85 4.499 4.390 -7.730 1.00 5.75 C ATOM 1339 OD1 ASP A 85 5.213 4.724 -8.700 1.00 6.23 O ATOM 1340 OD2 ASP A 85 4.185 3.206 -7.487 1.00 6.12 O ATOM 0 H ASP A 85 5.737 6.508 -8.230 1.00 5.08 H new ATOM 0 HA ASP A 85 3.062 6.693 -8.332 1.00 5.19 H new ATOM 0 HB2 ASP A 85 4.698 5.613 -5.986 1.00 4.91 H new ATOM 0 HB3 ASP A 85 3.047 5.157 -6.358 1.00 4.91 H new ATOM 1345 N LEU A 86 4.051 8.320 -5.626 1.00 4.16 N ATOM 1346 CA LEU A 86 3.611 9.296 -4.628 1.00 3.99 C ATOM 1347 C LEU A 86 3.147 10.598 -5.280 1.00 4.35 C ATOM 1348 O LEU A 86 2.401 11.370 -4.677 1.00 4.39 O ATOM 1349 CB LEU A 86 4.736 9.585 -3.631 1.00 3.28 C ATOM 1350 CG LEU A 86 4.288 9.753 -2.175 1.00 2.93 C ATOM 1351 CD1 LEU A 86 3.038 10.618 -2.091 1.00 3.28 C ATOM 1352 CD2 LEU A 86 4.042 8.396 -1.532 1.00 2.54 C ATOM 0 H LEU A 86 5.033 8.054 -5.553 1.00 4.16 H new ATOM 0 HA LEU A 86 2.763 8.863 -4.098 1.00 3.99 H new ATOM 0 HB2 LEU A 86 5.461 8.773 -3.680 1.00 3.28 H new ATOM 0 HB3 LEU A 86 5.252 10.493 -3.943 1.00 3.28 H new ATOM 0 HG LEU A 86 5.087 10.254 -1.629 1.00 2.93 H new ATOM 0 HD11 LEU A 86 2.738 10.724 -1.048 1.00 3.28 H new ATOM 0 HD12 LEU A 86 3.248 11.602 -2.510 1.00 3.28 H new ATOM 0 HD13 LEU A 86 2.232 10.148 -2.655 1.00 3.28 H new ATOM 0 HD21 LEU A 86 3.725 8.535 -0.499 1.00 2.54 H new ATOM 0 HD22 LEU A 86 3.263 7.868 -2.083 1.00 2.54 H new ATOM 0 HD23 LEU A 86 4.962 7.811 -1.554 1.00 2.54 H new ATOM 1364 N GLU A 87 3.593 10.840 -6.510 1.00 4.90 N ATOM 1365 CA GLU A 87 3.227 12.051 -7.245 1.00 5.65 C ATOM 1366 C GLU A 87 3.325 13.290 -6.359 1.00 5.80 C ATOM 1367 O GLU A 87 4.456 13.776 -6.146 1.00 5.45 O ATOM 1368 CB GLU A 87 1.811 11.927 -7.815 1.00 6.27 C ATOM 1369 CG GLU A 87 0.777 11.466 -6.800 1.00 6.31 C ATOM 1370 CD GLU A 87 -0.629 11.452 -7.367 1.00 7.17 C ATOM 1371 OE1 GLU A 87 -0.917 12.275 -8.262 1.00 7.41 O ATOM 1372 OE2 GLU A 87 -1.442 10.618 -6.918 1.00 7.79 O ATOM 0 H GLU A 87 4.212 10.211 -7.022 1.00 4.90 H new ATOM 0 HA GLU A 87 3.933 12.163 -8.068 1.00 5.65 H new ATOM 0 HB2 GLU A 87 1.506 12.893 -8.217 1.00 6.27 H new ATOM 0 HB3 GLU A 87 1.826 11.225 -8.649 1.00 6.27 H new ATOM 0 HG2 GLU A 87 1.035 10.466 -6.453 1.00 6.31 H new ATOM 0 HG3 GLU A 87 0.808 12.123 -5.931 1.00 6.31 H new TER 1379 GLU A 87