USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 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 46 LYS NZ :NH3+ -150:sc= 0.408 (180deg=0.0874) USER MOD Set 1.2: A 66 THR OG1 : rot -171:sc= 0 USER MOD Set 2.1: A 7 ASN : amide:sc= 0.0252 X(o=0.068,f=-0.11) USER MOD Set 2.2: A 67 ASN : amide:sc= 0.0432 X(o=0.068,f=-0.11) USER MOD Single : A 1 MET CE :methyl 170:sc= -0.0124 (180deg=-0.161) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -153:sc= -0.0428 (180deg=-0.397) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 53:sc= -0.0947 USER MOD Single : A 23 SER OG : rot 180:sc= 0.00173 USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= 0.421 (180deg=0.13) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -16:sc= 0.323 USER MOD Single : A 34 GLN : amide:sc= 0.0258 X(o=0.026,f=0.11) USER MOD Single : A 37 THR OG1 : rot -160:sc= -0.228 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0486 K(o=-0.049,f=-1.3) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0432) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -32:sc= 0.175 USER MOD Single : A 60 TYR OH : rot -57:sc= -1.24! USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 65 GLN : amide:sc= 0.35 X(o=0.35,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 114:sc= 0.146 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.399 6.277 6.153 1.00 0.59 N ATOM 2 CA MET A 1 9.417 5.197 5.840 1.00 0.44 C ATOM 3 C MET A 1 8.047 5.552 6.434 1.00 0.39 C ATOM 4 O MET A 1 7.948 6.017 7.556 1.00 0.53 O ATOM 5 CB MET A 1 9.903 3.871 6.435 1.00 0.55 C ATOM 6 CG MET A 1 9.646 2.741 5.437 1.00 0.63 C ATOM 7 SD MET A 1 10.711 1.330 5.832 1.00 1.03 S ATOM 8 CE MET A 1 10.855 0.683 4.147 1.00 1.04 C ATOM 0 H1 MET A 1 11.325 6.032 5.749 1.00 0.59 H new ATOM 0 H2 MET A 1 10.069 7.175 5.745 1.00 0.59 H new ATOM 0 H3 MET A 1 10.487 6.378 7.184 1.00 0.59 H new ATOM 0 HA MET A 1 9.327 5.099 4.758 1.00 0.44 H new ATOM 0 HB2 MET A 1 10.966 3.932 6.666 1.00 0.55 H new ATOM 0 HB3 MET A 1 9.384 3.668 7.372 1.00 0.55 H new ATOM 0 HG2 MET A 1 8.599 2.441 5.473 1.00 0.63 H new ATOM 0 HG3 MET A 1 9.844 3.086 4.422 1.00 0.63 H new ATOM 0 HE1 MET A 1 11.618 -0.095 4.120 1.00 1.04 H new ATOM 0 HE2 MET A 1 9.898 0.264 3.835 1.00 1.04 H new ATOM 0 HE3 MET A 1 11.136 1.490 3.470 1.00 1.04 H new ATOM 18 N ILE A 2 6.993 5.331 5.683 1.00 0.29 N ATOM 19 CA ILE A 2 5.620 5.647 6.186 1.00 0.28 C ATOM 20 C ILE A 2 4.779 4.364 6.244 1.00 0.28 C ATOM 21 O ILE A 2 5.106 3.368 5.624 1.00 0.32 O ATOM 22 CB ILE A 2 4.942 6.664 5.255 1.00 0.27 C ATOM 23 CG1 ILE A 2 4.873 6.105 3.826 1.00 0.28 C ATOM 24 CG2 ILE A 2 5.744 7.969 5.251 1.00 0.32 C ATOM 25 CD1 ILE A 2 3.848 6.897 3.012 1.00 0.39 C ATOM 0 H ILE A 2 7.027 4.944 4.740 1.00 0.29 H new ATOM 0 HA ILE A 2 5.699 6.073 7.186 1.00 0.28 H new ATOM 0 HB ILE A 2 3.931 6.855 5.614 1.00 0.27 H new ATOM 0 HG12 ILE A 2 5.853 6.167 3.353 1.00 0.28 H new ATOM 0 HG13 ILE A 2 4.596 5.051 3.850 1.00 0.28 H new ATOM 0 HG21 ILE A 2 5.262 8.690 4.590 1.00 0.32 H new ATOM 0 HG22 ILE A 2 5.785 8.374 6.262 1.00 0.32 H new ATOM 0 HG23 ILE A 2 6.756 7.773 4.898 1.00 0.32 H new ATOM 0 HD11 ILE A 2 3.801 6.498 1.999 1.00 0.39 H new ATOM 0 HD12 ILE A 2 2.868 6.813 3.481 1.00 0.39 H new ATOM 0 HD13 ILE A 2 4.144 7.945 2.976 1.00 0.39 H new ATOM 37 N GLU A 3 3.695 4.392 6.981 1.00 0.28 N ATOM 38 CA GLU A 3 2.816 3.187 7.087 1.00 0.30 C ATOM 39 C GLU A 3 1.481 3.481 6.395 1.00 0.26 C ATOM 40 O GLU A 3 0.659 4.220 6.904 1.00 0.32 O ATOM 41 CB GLU A 3 2.578 2.855 8.565 1.00 0.37 C ATOM 42 CG GLU A 3 2.692 1.341 8.779 1.00 0.49 C ATOM 43 CD GLU A 3 1.423 0.648 8.270 1.00 0.62 C ATOM 44 OE1 GLU A 3 0.444 0.635 8.998 1.00 0.87 O ATOM 45 OE2 GLU A 3 1.454 0.138 7.162 1.00 0.83 O ATOM 0 H GLU A 3 3.381 5.202 7.516 1.00 0.28 H new ATOM 0 HA GLU A 3 3.295 2.334 6.605 1.00 0.30 H new ATOM 0 HB2 GLU A 3 3.306 3.376 9.187 1.00 0.37 H new ATOM 0 HB3 GLU A 3 1.591 3.202 8.871 1.00 0.37 H new ATOM 0 HG2 GLU A 3 3.565 0.955 8.252 1.00 0.49 H new ATOM 0 HG3 GLU A 3 2.836 1.124 9.837 1.00 0.49 H new ATOM 52 N VAL A 4 1.269 2.914 5.233 1.00 0.24 N ATOM 53 CA VAL A 4 -0.006 3.163 4.489 1.00 0.23 C ATOM 54 C VAL A 4 -0.970 1.986 4.685 1.00 0.23 C ATOM 55 O VAL A 4 -0.565 0.878 4.997 1.00 0.30 O ATOM 56 CB VAL A 4 0.295 3.344 2.994 1.00 0.24 C ATOM 57 CG1 VAL A 4 1.298 4.487 2.802 1.00 0.34 C ATOM 58 CG2 VAL A 4 0.886 2.052 2.419 1.00 0.32 C ATOM 0 H VAL A 4 1.925 2.288 4.766 1.00 0.24 H new ATOM 0 HA VAL A 4 -0.472 4.069 4.876 1.00 0.23 H new ATOM 0 HB VAL A 4 -0.633 3.581 2.474 1.00 0.24 H new ATOM 0 HG11 VAL A 4 1.509 4.612 1.740 1.00 0.34 H new ATOM 0 HG12 VAL A 4 0.877 5.411 3.199 1.00 0.34 H new ATOM 0 HG13 VAL A 4 2.222 4.253 3.330 1.00 0.34 H new ATOM 0 HG21 VAL A 4 1.097 2.189 1.358 1.00 0.32 H new ATOM 0 HG22 VAL A 4 1.810 1.809 2.944 1.00 0.32 H new ATOM 0 HG23 VAL A 4 0.172 1.238 2.545 1.00 0.32 H new ATOM 68 N VAL A 5 -2.247 2.224 4.497 1.00 0.24 N ATOM 69 CA VAL A 5 -3.258 1.136 4.662 1.00 0.26 C ATOM 70 C VAL A 5 -3.725 0.667 3.278 1.00 0.27 C ATOM 71 O VAL A 5 -3.937 1.467 2.386 1.00 0.40 O ATOM 72 CB VAL A 5 -4.458 1.671 5.458 1.00 0.32 C ATOM 73 CG1 VAL A 5 -5.412 0.519 5.785 1.00 0.50 C ATOM 74 CG2 VAL A 5 -3.965 2.305 6.763 1.00 0.43 C ATOM 0 H VAL A 5 -2.632 3.131 4.235 1.00 0.24 H new ATOM 0 HA VAL A 5 -2.813 0.298 5.199 1.00 0.26 H new ATOM 0 HB VAL A 5 -4.981 2.419 4.862 1.00 0.32 H new ATOM 0 HG11 VAL A 5 -6.263 0.900 6.350 1.00 0.50 H new ATOM 0 HG12 VAL A 5 -5.765 0.065 4.859 1.00 0.50 H new ATOM 0 HG13 VAL A 5 -4.888 -0.230 6.379 1.00 0.50 H new ATOM 0 HG21 VAL A 5 -4.817 2.685 7.328 1.00 0.43 H new ATOM 0 HG22 VAL A 5 -3.441 1.556 7.356 1.00 0.43 H new ATOM 0 HG23 VAL A 5 -3.286 3.127 6.535 1.00 0.43 H new ATOM 84 N VAL A 6 -3.880 -0.622 3.094 1.00 0.24 N ATOM 85 CA VAL A 6 -4.329 -1.155 1.769 1.00 0.30 C ATOM 86 C VAL A 6 -5.512 -2.104 1.981 1.00 0.35 C ATOM 87 O VAL A 6 -5.382 -3.147 2.596 1.00 0.49 O ATOM 88 CB VAL A 6 -3.171 -1.907 1.096 1.00 0.37 C ATOM 89 CG1 VAL A 6 -3.606 -2.385 -0.292 1.00 0.54 C ATOM 90 CG2 VAL A 6 -1.961 -0.976 0.952 1.00 0.38 C ATOM 0 H VAL A 6 -3.714 -1.331 3.808 1.00 0.24 H new ATOM 0 HA VAL A 6 -4.637 -0.329 1.127 1.00 0.30 H new ATOM 0 HB VAL A 6 -2.899 -2.765 1.711 1.00 0.37 H new ATOM 0 HG11 VAL A 6 -2.783 -2.918 -0.768 1.00 0.54 H new ATOM 0 HG12 VAL A 6 -4.463 -3.052 -0.195 1.00 0.54 H new ATOM 0 HG13 VAL A 6 -3.883 -1.526 -0.903 1.00 0.54 H new ATOM 0 HG21 VAL A 6 -1.143 -1.514 0.474 1.00 0.38 H new ATOM 0 HG22 VAL A 6 -2.235 -0.115 0.342 1.00 0.38 H new ATOM 0 HG23 VAL A 6 -1.645 -0.635 1.938 1.00 0.38 H new ATOM 100 N ASN A 7 -6.668 -1.746 1.474 1.00 0.38 N ATOM 101 CA ASN A 7 -7.874 -2.615 1.637 1.00 0.43 C ATOM 102 C ASN A 7 -8.383 -3.059 0.260 1.00 0.34 C ATOM 103 O ASN A 7 -8.339 -2.309 -0.700 1.00 0.37 O ATOM 104 CB ASN A 7 -8.974 -1.841 2.377 1.00 0.53 C ATOM 105 CG ASN A 7 -9.350 -0.573 1.597 1.00 0.56 C ATOM 106 OD1 ASN A 7 -10.228 -0.602 0.757 1.00 0.60 O ATOM 107 ND2 ASN A 7 -8.719 0.544 1.844 1.00 0.73 N ATOM 0 H ASN A 7 -6.827 -0.884 0.952 1.00 0.38 H new ATOM 0 HA ASN A 7 -7.606 -3.497 2.219 1.00 0.43 H new ATOM 0 HB2 ASN A 7 -9.853 -2.474 2.501 1.00 0.53 H new ATOM 0 HB3 ASN A 7 -8.630 -1.573 3.376 1.00 0.53 H new ATOM 0 HD21 ASN A 7 -8.963 1.392 1.332 1.00 0.73 H new ATOM 0 HD22 ASN A 7 -7.982 0.568 2.549 1.00 0.73 H new ATOM 114 N ASP A 8 -8.867 -4.274 0.161 1.00 0.32 N ATOM 115 CA ASP A 8 -9.385 -4.786 -1.146 1.00 0.33 C ATOM 116 C ASP A 8 -10.776 -4.197 -1.444 1.00 0.33 C ATOM 117 O ASP A 8 -11.278 -4.326 -2.548 1.00 0.45 O ATOM 118 CB ASP A 8 -9.476 -6.317 -1.094 1.00 0.41 C ATOM 119 CG ASP A 8 -8.199 -6.930 -1.681 1.00 0.74 C ATOM 120 OD1 ASP A 8 -7.259 -7.129 -0.927 1.00 1.03 O ATOM 121 OD2 ASP A 8 -8.183 -7.192 -2.873 1.00 1.01 O ATOM 0 H ASP A 8 -8.925 -4.936 0.934 1.00 0.32 H new ATOM 0 HA ASP A 8 -8.701 -4.483 -1.938 1.00 0.33 H new ATOM 0 HB2 ASP A 8 -9.610 -6.648 -0.064 1.00 0.41 H new ATOM 0 HB3 ASP A 8 -10.346 -6.659 -1.655 1.00 0.41 H new ATOM 198 N LYS A 13 -8.091 -6.581 4.510 1.00 0.38 N ATOM 199 CA LYS A 13 -7.380 -5.322 4.887 1.00 0.39 C ATOM 200 C LYS A 13 -5.933 -5.641 5.283 1.00 0.37 C ATOM 201 O LYS A 13 -5.681 -6.354 6.240 1.00 0.47 O ATOM 202 CB LYS A 13 -8.109 -4.665 6.061 1.00 0.49 C ATOM 203 CG LYS A 13 -7.664 -3.207 6.182 1.00 0.56 C ATOM 204 CD LYS A 13 -7.305 -2.901 7.638 1.00 0.76 C ATOM 205 CE LYS A 13 -5.999 -2.105 7.683 1.00 1.22 C ATOM 206 NZ LYS A 13 -4.863 -3.009 8.027 1.00 1.62 N ATOM 0 HA LYS A 13 -7.370 -4.639 4.037 1.00 0.39 H new ATOM 0 HB2 LYS A 13 -9.187 -4.716 5.909 1.00 0.49 H new ATOM 0 HB3 LYS A 13 -7.891 -5.201 6.985 1.00 0.49 H new ATOM 0 HG2 LYS A 13 -6.804 -3.024 5.538 1.00 0.56 H new ATOM 0 HG3 LYS A 13 -8.461 -2.544 5.846 1.00 0.56 H new ATOM 0 HD2 LYS A 13 -8.107 -2.333 8.110 1.00 0.76 H new ATOM 0 HD3 LYS A 13 -7.198 -3.829 8.200 1.00 0.76 H new ATOM 0 HE2 LYS A 13 -5.819 -1.631 6.718 1.00 1.22 H new ATOM 0 HE3 LYS A 13 -6.075 -1.306 8.421 1.00 1.22 H new ATOM 0 HZ1 LYS A 13 -4.112 -2.461 8.494 1.00 1.62 H new ATOM 0 HZ2 LYS A 13 -5.196 -3.756 8.669 1.00 1.62 H new ATOM 0 HZ3 LYS A 13 -4.488 -3.441 7.158 1.00 1.62 H new ATOM 220 N VAL A 14 -4.983 -5.113 4.544 1.00 0.35 N ATOM 221 CA VAL A 14 -3.540 -5.369 4.851 1.00 0.37 C ATOM 222 C VAL A 14 -2.802 -4.032 4.996 1.00 0.34 C ATOM 223 O VAL A 14 -3.087 -3.076 4.299 1.00 0.40 O ATOM 224 CB VAL A 14 -2.909 -6.180 3.712 1.00 0.45 C ATOM 225 CG1 VAL A 14 -1.488 -6.602 4.102 1.00 0.60 C ATOM 226 CG2 VAL A 14 -3.752 -7.430 3.446 1.00 0.56 C ATOM 0 H VAL A 14 -5.148 -4.512 3.737 1.00 0.35 H new ATOM 0 HA VAL A 14 -3.462 -5.930 5.782 1.00 0.37 H new ATOM 0 HB VAL A 14 -2.871 -5.565 2.813 1.00 0.45 H new ATOM 0 HG11 VAL A 14 -1.044 -7.178 3.290 1.00 0.60 H new ATOM 0 HG12 VAL A 14 -0.884 -5.715 4.291 1.00 0.60 H new ATOM 0 HG13 VAL A 14 -1.525 -7.214 5.003 1.00 0.60 H new ATOM 0 HG21 VAL A 14 -3.303 -8.006 2.637 1.00 0.56 H new ATOM 0 HG22 VAL A 14 -3.791 -8.041 4.348 1.00 0.56 H new ATOM 0 HG23 VAL A 14 -4.762 -7.134 3.164 1.00 0.56 H new ATOM 236 N ARG A 15 -1.849 -3.973 5.892 1.00 0.33 N ATOM 237 CA ARG A 15 -1.069 -2.714 6.095 1.00 0.32 C ATOM 238 C ARG A 15 0.365 -2.933 5.600 1.00 0.32 C ATOM 239 O ARG A 15 0.937 -3.995 5.784 1.00 0.41 O ATOM 240 CB ARG A 15 -1.065 -2.348 7.586 1.00 0.38 C ATOM 241 CG ARG A 15 -0.532 -3.523 8.414 1.00 0.46 C ATOM 242 CD ARG A 15 0.509 -3.018 9.413 1.00 0.61 C ATOM 243 NE ARG A 15 1.803 -3.719 9.181 1.00 0.66 N ATOM 244 CZ ARG A 15 2.832 -3.061 8.718 1.00 0.60 C ATOM 245 NH1 ARG A 15 3.486 -2.242 9.499 1.00 0.94 N ATOM 246 NH2 ARG A 15 3.206 -3.222 7.477 1.00 1.06 N ATOM 0 H ARG A 15 -1.576 -4.749 6.496 1.00 0.33 H new ATOM 0 HA ARG A 15 -1.524 -1.897 5.535 1.00 0.32 H new ATOM 0 HB2 ARG A 15 -0.446 -1.466 7.751 1.00 0.38 H new ATOM 0 HB3 ARG A 15 -2.074 -2.093 7.909 1.00 0.38 H new ATOM 0 HG2 ARG A 15 -1.352 -4.009 8.943 1.00 0.46 H new ATOM 0 HG3 ARG A 15 -0.088 -4.271 7.758 1.00 0.46 H new ATOM 0 HD2 ARG A 15 0.642 -1.942 9.303 1.00 0.61 H new ATOM 0 HD3 ARG A 15 0.166 -3.194 10.432 1.00 0.61 H new ATOM 0 HE ARG A 15 1.886 -4.715 9.384 1.00 0.66 H new ATOM 0 HH11 ARG A 15 3.193 -2.118 10.468 1.00 0.94 H new ATOM 0 HH12 ARG A 15 4.290 -1.727 9.140 1.00 0.94 H new ATOM 0 HH21 ARG A 15 2.694 -3.862 6.869 1.00 1.06 H new ATOM 0 HH22 ARG A 15 4.010 -2.708 7.116 1.00 1.06 H new ATOM 260 N VAL A 16 0.944 -1.947 4.962 1.00 0.29 N ATOM 261 CA VAL A 16 2.334 -2.102 4.439 1.00 0.32 C ATOM 262 C VAL A 16 3.098 -0.781 4.595 1.00 0.29 C ATOM 263 O VAL A 16 2.548 0.290 4.417 1.00 0.35 O ATOM 264 CB VAL A 16 2.271 -2.516 2.958 1.00 0.38 C ATOM 265 CG1 VAL A 16 1.641 -1.398 2.120 1.00 0.42 C ATOM 266 CG2 VAL A 16 3.683 -2.807 2.440 1.00 0.49 C ATOM 0 H VAL A 16 0.513 -1.041 4.781 1.00 0.29 H new ATOM 0 HA VAL A 16 2.859 -2.873 5.004 1.00 0.32 H new ATOM 0 HB VAL A 16 1.659 -3.414 2.872 1.00 0.38 H new ATOM 0 HG11 VAL A 16 1.603 -1.704 1.075 1.00 0.42 H new ATOM 0 HG12 VAL A 16 0.630 -1.201 2.478 1.00 0.42 H new ATOM 0 HG13 VAL A 16 2.241 -0.493 2.211 1.00 0.42 H new ATOM 0 HG21 VAL A 16 3.633 -3.100 1.391 1.00 0.49 H new ATOM 0 HG22 VAL A 16 4.298 -1.912 2.538 1.00 0.49 H new ATOM 0 HG23 VAL A 16 4.124 -3.616 3.022 1.00 0.49 H new ATOM 276 N LYS A 17 4.364 -0.855 4.932 1.00 0.29 N ATOM 277 CA LYS A 17 5.172 0.390 5.105 1.00 0.30 C ATOM 278 C LYS A 17 6.174 0.528 3.950 1.00 0.30 C ATOM 279 O LYS A 17 6.701 -0.452 3.448 1.00 0.39 O ATOM 280 CB LYS A 17 5.915 0.345 6.449 1.00 0.37 C ATOM 281 CG LYS A 17 6.977 -0.760 6.432 1.00 0.49 C ATOM 282 CD LYS A 17 7.409 -1.079 7.867 1.00 0.92 C ATOM 283 CE LYS A 17 8.177 -2.404 7.884 1.00 1.36 C ATOM 284 NZ LYS A 17 8.133 -2.990 9.254 1.00 2.13 N ATOM 0 H LYS A 17 4.871 -1.725 5.094 1.00 0.29 H new ATOM 0 HA LYS A 17 4.507 1.253 5.098 1.00 0.30 H new ATOM 0 HB2 LYS A 17 6.386 1.308 6.645 1.00 0.37 H new ATOM 0 HB3 LYS A 17 5.207 0.166 7.258 1.00 0.37 H new ATOM 0 HG2 LYS A 17 6.578 -1.655 5.954 1.00 0.49 H new ATOM 0 HG3 LYS A 17 7.838 -0.442 5.844 1.00 0.49 H new ATOM 0 HD2 LYS A 17 8.036 -0.277 8.256 1.00 0.92 H new ATOM 0 HD3 LYS A 17 6.535 -1.144 8.516 1.00 0.92 H new ATOM 0 HE2 LYS A 17 7.740 -3.098 7.166 1.00 1.36 H new ATOM 0 HE3 LYS A 17 9.211 -2.241 7.580 1.00 1.36 H new ATOM 0 HZ1 LYS A 17 8.655 -3.890 9.264 1.00 2.13 H new ATOM 0 HZ2 LYS A 17 8.569 -2.329 9.928 1.00 2.13 H new ATOM 0 HZ3 LYS A 17 7.144 -3.161 9.527 1.00 2.13 H new ATOM 298 N CYS A 18 6.436 1.744 3.529 1.00 0.30 N ATOM 299 CA CYS A 18 7.400 1.978 2.408 1.00 0.33 C ATOM 300 C CYS A 18 7.821 3.454 2.397 1.00 0.28 C ATOM 301 O CYS A 18 7.127 4.310 2.918 1.00 0.31 O ATOM 302 CB CYS A 18 6.730 1.630 1.072 1.00 0.41 C ATOM 303 SG CYS A 18 7.610 0.252 0.293 1.00 0.92 S ATOM 0 H CYS A 18 6.019 2.590 3.918 1.00 0.30 H new ATOM 0 HA CYS A 18 8.278 1.348 2.548 1.00 0.33 H new ATOM 0 HB2 CYS A 18 5.686 1.362 1.236 1.00 0.41 H new ATOM 0 HB3 CYS A 18 6.737 2.498 0.413 1.00 0.41 H new ATOM 0 HG CYS A 18 7.706 -0.733 1.136 1.00 0.92 H new ATOM 309 N LEU A 19 8.950 3.756 1.802 1.00 0.28 N ATOM 310 CA LEU A 19 9.423 5.171 1.745 1.00 0.26 C ATOM 311 C LEU A 19 8.689 5.906 0.620 1.00 0.26 C ATOM 312 O LEU A 19 8.383 5.334 -0.412 1.00 0.32 O ATOM 313 CB LEU A 19 10.930 5.199 1.464 1.00 0.31 C ATOM 314 CG LEU A 19 11.704 5.373 2.775 1.00 0.62 C ATOM 315 CD1 LEU A 19 12.916 4.438 2.780 1.00 1.12 C ATOM 316 CD2 LEU A 19 12.179 6.826 2.901 1.00 1.08 C ATOM 0 H LEU A 19 9.565 3.078 1.352 1.00 0.28 H new ATOM 0 HA LEU A 19 9.221 5.658 2.699 1.00 0.26 H new ATOM 0 HB2 LEU A 19 11.234 4.275 0.973 1.00 0.31 H new ATOM 0 HB3 LEU A 19 11.166 6.015 0.782 1.00 0.31 H new ATOM 0 HG LEU A 19 11.053 5.130 3.615 1.00 0.62 H new ATOM 0 HD11 LEU A 19 13.467 4.561 3.712 1.00 1.12 H new ATOM 0 HD12 LEU A 19 12.579 3.405 2.692 1.00 1.12 H new ATOM 0 HD13 LEU A 19 13.566 4.681 1.940 1.00 1.12 H new ATOM 0 HD21 LEU A 19 12.729 6.949 3.834 1.00 1.08 H new ATOM 0 HD22 LEU A 19 12.829 7.070 2.061 1.00 1.08 H new ATOM 0 HD23 LEU A 19 11.316 7.492 2.898 1.00 1.08 H new ATOM 328 N ALA A 20 8.415 7.176 0.806 1.00 0.29 N ATOM 329 CA ALA A 20 7.715 7.962 -0.256 1.00 0.36 C ATOM 330 C ALA A 20 8.615 8.064 -1.498 1.00 0.35 C ATOM 331 O ALA A 20 8.140 8.280 -2.597 1.00 0.41 O ATOM 332 CB ALA A 20 7.401 9.368 0.265 1.00 0.46 C ATOM 0 H ALA A 20 8.647 7.701 1.649 1.00 0.29 H new ATOM 0 HA ALA A 20 6.785 7.460 -0.522 1.00 0.36 H new ATOM 0 HB1 ALA A 20 6.891 9.938 -0.511 1.00 0.46 H new ATOM 0 HB2 ALA A 20 6.759 9.296 1.143 1.00 0.46 H new ATOM 0 HB3 ALA A 20 8.329 9.872 0.535 1.00 0.46 H new ATOM 338 N GLU A 21 9.909 7.899 -1.329 1.00 0.35 N ATOM 339 CA GLU A 21 10.846 7.975 -2.493 1.00 0.41 C ATOM 340 C GLU A 21 10.900 6.620 -3.214 1.00 0.36 C ATOM 341 O GLU A 21 11.310 6.540 -4.359 1.00 0.42 O ATOM 342 CB GLU A 21 12.250 8.350 -2.000 1.00 0.53 C ATOM 343 CG GLU A 21 12.794 7.249 -1.077 1.00 0.60 C ATOM 344 CD GLU A 21 14.093 7.719 -0.418 1.00 1.54 C ATOM 345 OE1 GLU A 21 14.011 8.409 0.586 1.00 2.11 O ATOM 346 OE2 GLU A 21 15.149 7.377 -0.925 1.00 2.24 O ATOM 0 H GLU A 21 10.355 7.714 -0.430 1.00 0.35 H new ATOM 0 HA GLU A 21 10.489 8.735 -3.188 1.00 0.41 H new ATOM 0 HB2 GLU A 21 12.918 8.487 -2.850 1.00 0.53 H new ATOM 0 HB3 GLU A 21 12.215 9.300 -1.466 1.00 0.53 H new ATOM 0 HG2 GLU A 21 12.056 7.005 -0.313 1.00 0.60 H new ATOM 0 HG3 GLU A 21 12.974 6.339 -1.649 1.00 0.60 H new ATOM 353 N ASP A 22 10.490 5.556 -2.556 1.00 0.33 N ATOM 354 CA ASP A 22 10.516 4.207 -3.200 1.00 0.36 C ATOM 355 C ASP A 22 9.584 4.197 -4.417 1.00 0.32 C ATOM 356 O ASP A 22 8.637 4.962 -4.495 1.00 0.40 O ATOM 357 CB ASP A 22 10.057 3.144 -2.194 1.00 0.39 C ATOM 358 CG ASP A 22 11.267 2.348 -1.691 1.00 0.46 C ATOM 359 OD1 ASP A 22 11.804 1.570 -2.463 1.00 0.69 O ATOM 360 OD2 ASP A 22 11.634 2.529 -0.541 1.00 0.66 O ATOM 0 H ASP A 22 10.138 5.569 -1.599 1.00 0.33 H new ATOM 0 HA ASP A 22 11.533 3.984 -3.522 1.00 0.36 H new ATOM 0 HB2 ASP A 22 9.549 3.619 -1.355 1.00 0.39 H new ATOM 0 HB3 ASP A 22 9.338 2.473 -2.663 1.00 0.39 H new ATOM 365 N SER A 23 9.849 3.337 -5.368 1.00 0.32 N ATOM 366 CA SER A 23 8.987 3.272 -6.587 1.00 0.35 C ATOM 367 C SER A 23 7.745 2.414 -6.313 1.00 0.32 C ATOM 368 O SER A 23 7.723 1.612 -5.395 1.00 0.33 O ATOM 369 CB SER A 23 9.786 2.664 -7.747 1.00 0.42 C ATOM 370 OG SER A 23 10.185 1.340 -7.410 1.00 0.49 O ATOM 0 H SER A 23 10.626 2.676 -5.353 1.00 0.32 H new ATOM 0 HA SER A 23 8.668 4.281 -6.850 1.00 0.35 H new ATOM 0 HB2 SER A 23 9.180 2.652 -8.653 1.00 0.42 H new ATOM 0 HB3 SER A 23 10.663 3.276 -7.958 1.00 0.42 H new ATOM 0 HG SER A 23 10.694 0.953 -8.153 1.00 0.49 H new ATOM 376 N VAL A 24 6.716 2.570 -7.118 1.00 0.33 N ATOM 377 CA VAL A 24 5.475 1.755 -6.928 1.00 0.34 C ATOM 378 C VAL A 24 5.836 0.270 -7.068 1.00 0.31 C ATOM 379 O VAL A 24 5.298 -0.571 -6.372 1.00 0.33 O ATOM 380 CB VAL A 24 4.432 2.140 -7.983 1.00 0.40 C ATOM 381 CG1 VAL A 24 3.237 1.183 -7.908 1.00 0.49 C ATOM 382 CG2 VAL A 24 3.952 3.573 -7.729 1.00 0.44 C ATOM 0 H VAL A 24 6.685 3.227 -7.897 1.00 0.33 H new ATOM 0 HA VAL A 24 5.056 1.943 -5.939 1.00 0.34 H new ATOM 0 HB VAL A 24 4.884 2.075 -8.973 1.00 0.40 H new ATOM 0 HG11 VAL A 24 2.499 1.462 -8.660 1.00 0.49 H new ATOM 0 HG12 VAL A 24 3.575 0.163 -8.092 1.00 0.49 H new ATOM 0 HG13 VAL A 24 2.785 1.242 -6.918 1.00 0.49 H new ATOM 0 HG21 VAL A 24 3.210 3.847 -8.479 1.00 0.44 H new ATOM 0 HG22 VAL A 24 3.505 3.637 -6.737 1.00 0.44 H new ATOM 0 HG23 VAL A 24 4.799 4.257 -7.790 1.00 0.44 H new ATOM 392 N GLY A 25 6.758 -0.048 -7.954 1.00 0.31 N ATOM 393 CA GLY A 25 7.184 -1.471 -8.136 1.00 0.34 C ATOM 394 C GLY A 25 7.681 -2.021 -6.795 1.00 0.29 C ATOM 395 O GLY A 25 7.312 -3.108 -6.389 1.00 0.34 O ATOM 0 H GLY A 25 7.233 0.622 -8.559 1.00 0.31 H new ATOM 0 HA2 GLY A 25 6.350 -2.069 -8.502 1.00 0.34 H new ATOM 0 HA3 GLY A 25 7.974 -1.534 -8.884 1.00 0.34 H new ATOM 399 N ASP A 26 8.502 -1.263 -6.099 1.00 0.30 N ATOM 400 CA ASP A 26 9.014 -1.717 -4.769 1.00 0.33 C ATOM 401 C ASP A 26 7.842 -1.791 -3.781 1.00 0.29 C ATOM 402 O ASP A 26 7.758 -2.702 -2.977 1.00 0.34 O ATOM 403 CB ASP A 26 10.058 -0.719 -4.254 1.00 0.42 C ATOM 404 CG ASP A 26 10.739 -1.282 -3.001 1.00 0.72 C ATOM 405 OD1 ASP A 26 11.743 -1.959 -3.150 1.00 1.03 O ATOM 406 OD2 ASP A 26 10.246 -1.023 -1.914 1.00 0.88 O ATOM 0 H ASP A 26 8.838 -0.348 -6.399 1.00 0.30 H new ATOM 0 HA ASP A 26 9.475 -2.700 -4.867 1.00 0.33 H new ATOM 0 HB2 ASP A 26 10.801 -0.525 -5.027 1.00 0.42 H new ATOM 0 HB3 ASP A 26 9.581 0.234 -4.023 1.00 0.42 H new ATOM 411 N PHE A 27 6.935 -0.841 -3.849 1.00 0.27 N ATOM 412 CA PHE A 27 5.751 -0.842 -2.935 1.00 0.30 C ATOM 413 C PHE A 27 4.928 -2.118 -3.169 1.00 0.28 C ATOM 414 O PHE A 27 4.469 -2.748 -2.232 1.00 0.33 O ATOM 415 CB PHE A 27 4.888 0.393 -3.230 1.00 0.35 C ATOM 416 CG PHE A 27 3.738 0.460 -2.253 1.00 0.35 C ATOM 417 CD1 PHE A 27 3.934 0.999 -0.977 1.00 0.57 C ATOM 418 CD2 PHE A 27 2.476 -0.015 -2.627 1.00 0.58 C ATOM 419 CE1 PHE A 27 2.868 1.060 -0.073 1.00 0.63 C ATOM 420 CE2 PHE A 27 1.411 0.046 -1.724 1.00 0.59 C ATOM 421 CZ PHE A 27 1.605 0.584 -0.448 1.00 0.45 C ATOM 0 H PHE A 27 6.968 -0.060 -4.505 1.00 0.27 H new ATOM 0 HA PHE A 27 6.084 -0.814 -1.897 1.00 0.30 H new ATOM 0 HB2 PHE A 27 5.493 1.297 -3.156 1.00 0.35 H new ATOM 0 HB3 PHE A 27 4.508 0.347 -4.250 1.00 0.35 H new ATOM 0 HD1 PHE A 27 4.908 1.368 -0.690 1.00 0.57 H new ATOM 0 HD2 PHE A 27 2.325 -0.429 -3.613 1.00 0.58 H new ATOM 0 HE1 PHE A 27 3.019 1.474 0.913 1.00 0.63 H new ATOM 0 HE2 PHE A 27 0.438 -0.323 -2.012 1.00 0.59 H new ATOM 0 HZ PHE A 27 0.781 0.633 0.248 1.00 0.45 H new ATOM 431 N LYS A 28 4.751 -2.501 -4.414 1.00 0.26 N ATOM 432 CA LYS A 28 3.971 -3.737 -4.731 1.00 0.27 C ATOM 433 C LYS A 28 4.767 -4.978 -4.307 1.00 0.26 C ATOM 434 O LYS A 28 4.197 -5.996 -3.968 1.00 0.35 O ATOM 435 CB LYS A 28 3.695 -3.792 -6.238 1.00 0.30 C ATOM 436 CG LYS A 28 2.468 -2.938 -6.554 1.00 0.30 C ATOM 437 CD LYS A 28 1.992 -3.214 -7.982 1.00 0.33 C ATOM 438 CE LYS A 28 0.932 -2.178 -8.372 1.00 0.47 C ATOM 439 NZ LYS A 28 1.166 -1.713 -9.771 1.00 0.96 N ATOM 0 H LYS A 28 5.117 -2.005 -5.227 1.00 0.26 H new ATOM 0 HA LYS A 28 3.026 -3.717 -4.188 1.00 0.27 H new ATOM 0 HB2 LYS A 28 4.560 -3.427 -6.792 1.00 0.30 H new ATOM 0 HB3 LYS A 28 3.527 -4.822 -6.552 1.00 0.30 H new ATOM 0 HG2 LYS A 28 1.669 -3.159 -5.846 1.00 0.30 H new ATOM 0 HG3 LYS A 28 2.711 -1.881 -6.441 1.00 0.30 H new ATOM 0 HD2 LYS A 28 2.833 -3.168 -8.673 1.00 0.33 H new ATOM 0 HD3 LYS A 28 1.577 -4.220 -8.051 1.00 0.33 H new ATOM 0 HE2 LYS A 28 -0.064 -2.614 -8.286 1.00 0.47 H new ATOM 0 HE3 LYS A 28 0.970 -1.331 -7.687 1.00 0.47 H new ATOM 0 HZ1 LYS A 28 0.746 -0.770 -9.898 1.00 0.96 H new ATOM 0 HZ2 LYS A 28 2.189 -1.664 -9.954 1.00 0.96 H new ATOM 0 HZ3 LYS A 28 0.727 -2.380 -10.437 1.00 0.96 H new ATOM 453 N LYS A 29 6.080 -4.895 -4.321 1.00 0.24 N ATOM 454 CA LYS A 29 6.922 -6.063 -3.914 1.00 0.26 C ATOM 455 C LYS A 29 6.784 -6.303 -2.407 1.00 0.26 C ATOM 456 O LYS A 29 6.684 -7.431 -1.960 1.00 0.32 O ATOM 457 CB LYS A 29 8.388 -5.773 -4.244 1.00 0.32 C ATOM 458 CG LYS A 29 8.657 -6.096 -5.712 1.00 0.40 C ATOM 459 CD LYS A 29 10.166 -6.154 -5.949 1.00 0.79 C ATOM 460 CE LYS A 29 10.476 -5.723 -7.384 1.00 1.16 C ATOM 461 NZ LYS A 29 11.150 -4.394 -7.370 1.00 1.69 N ATOM 0 H LYS A 29 6.603 -4.064 -4.598 1.00 0.24 H new ATOM 0 HA LYS A 29 6.590 -6.949 -4.454 1.00 0.26 H new ATOM 0 HB2 LYS A 29 8.616 -4.726 -4.044 1.00 0.32 H new ATOM 0 HB3 LYS A 29 9.040 -6.369 -3.605 1.00 0.32 H new ATOM 0 HG2 LYS A 29 8.199 -7.049 -5.976 1.00 0.40 H new ATOM 0 HG3 LYS A 29 8.206 -5.337 -6.352 1.00 0.40 H new ATOM 0 HD2 LYS A 29 10.681 -5.502 -5.243 1.00 0.79 H new ATOM 0 HD3 LYS A 29 10.533 -7.165 -5.775 1.00 0.79 H new ATOM 0 HE2 LYS A 29 11.116 -6.462 -7.867 1.00 1.16 H new ATOM 0 HE3 LYS A 29 9.556 -5.670 -7.966 1.00 1.16 H new ATOM 0 HZ1 LYS A 29 11.361 -4.101 -8.345 1.00 1.69 H new ATOM 0 HZ2 LYS A 29 10.524 -3.692 -6.925 1.00 1.69 H new ATOM 0 HZ3 LYS A 29 12.036 -4.460 -6.829 1.00 1.69 H new ATOM 475 N VAL A 30 6.778 -5.249 -1.622 1.00 0.26 N ATOM 476 CA VAL A 30 6.644 -5.405 -0.140 1.00 0.28 C ATOM 477 C VAL A 30 5.209 -5.826 0.199 1.00 0.27 C ATOM 478 O VAL A 30 4.987 -6.650 1.069 1.00 0.34 O ATOM 479 CB VAL A 30 6.970 -4.075 0.554 1.00 0.32 C ATOM 480 CG1 VAL A 30 6.889 -4.258 2.073 1.00 0.38 C ATOM 481 CG2 VAL A 30 8.385 -3.625 0.176 1.00 0.39 C ATOM 0 H VAL A 30 6.861 -4.286 -1.947 1.00 0.26 H new ATOM 0 HA VAL A 30 7.339 -6.169 0.208 1.00 0.28 H new ATOM 0 HB VAL A 30 6.252 -3.320 0.235 1.00 0.32 H new ATOM 0 HG11 VAL A 30 7.120 -3.314 2.566 1.00 0.38 H new ATOM 0 HG12 VAL A 30 5.883 -4.574 2.348 1.00 0.38 H new ATOM 0 HG13 VAL A 30 7.606 -5.017 2.387 1.00 0.38 H new ATOM 0 HG21 VAL A 30 8.611 -2.681 0.671 1.00 0.39 H new ATOM 0 HG22 VAL A 30 9.104 -4.381 0.491 1.00 0.39 H new ATOM 0 HG23 VAL A 30 8.448 -3.492 -0.904 1.00 0.39 H new ATOM 491 N LEU A 31 4.236 -5.268 -0.487 1.00 0.27 N ATOM 492 CA LEU A 31 2.811 -5.628 -0.219 1.00 0.30 C ATOM 493 C LEU A 31 2.548 -7.067 -0.684 1.00 0.30 C ATOM 494 O LEU A 31 1.948 -7.850 0.028 1.00 0.34 O ATOM 495 CB LEU A 31 1.890 -4.663 -0.977 1.00 0.33 C ATOM 496 CG LEU A 31 0.426 -5.015 -0.697 1.00 0.35 C ATOM 497 CD1 LEU A 31 0.060 -4.608 0.734 1.00 0.56 C ATOM 498 CD2 LEU A 31 -0.473 -4.269 -1.687 1.00 0.46 C ATOM 0 H LEU A 31 4.372 -4.576 -1.224 1.00 0.27 H new ATOM 0 HA LEU A 31 2.612 -5.554 0.850 1.00 0.30 H new ATOM 0 HB2 LEU A 31 2.092 -3.637 -0.670 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.089 -4.721 -2.047 1.00 0.33 H new ATOM 0 HG LEU A 31 0.284 -6.090 -0.811 1.00 0.35 H new ATOM 0 HD11 LEU A 31 -0.982 -4.860 0.929 1.00 0.56 H new ATOM 0 HD12 LEU A 31 0.700 -5.140 1.438 1.00 0.56 H new ATOM 0 HD13 LEU A 31 0.202 -3.534 0.854 1.00 0.56 H new ATOM 0 HD21 LEU A 31 -1.516 -4.518 -1.490 1.00 0.46 H new ATOM 0 HD22 LEU A 31 -0.328 -3.195 -1.572 1.00 0.46 H new ATOM 0 HD23 LEU A 31 -0.216 -4.563 -2.705 1.00 0.46 H new ATOM 510 N SER A 32 2.995 -7.412 -1.874 1.00 0.30 N ATOM 511 CA SER A 32 2.779 -8.797 -2.412 1.00 0.33 C ATOM 512 C SER A 32 3.392 -9.850 -1.472 1.00 0.34 C ATOM 513 O SER A 32 2.965 -10.988 -1.458 1.00 0.39 O ATOM 514 CB SER A 32 3.425 -8.916 -3.797 1.00 0.39 C ATOM 515 OG SER A 32 4.830 -8.719 -3.691 1.00 0.39 O ATOM 0 H SER A 32 3.504 -6.787 -2.499 1.00 0.30 H new ATOM 0 HA SER A 32 1.706 -8.976 -2.485 1.00 0.33 H new ATOM 0 HB2 SER A 32 3.217 -9.898 -4.222 1.00 0.39 H new ATOM 0 HB3 SER A 32 2.995 -8.178 -4.474 1.00 0.39 H new ATOM 0 HG SER A 32 5.039 -8.311 -2.825 1.00 0.39 H new ATOM 521 N LEU A 33 4.386 -9.482 -0.694 1.00 0.36 N ATOM 522 CA LEU A 33 5.018 -10.466 0.242 1.00 0.41 C ATOM 523 C LEU A 33 4.021 -10.854 1.344 1.00 0.41 C ATOM 524 O LEU A 33 3.992 -11.987 1.789 1.00 0.48 O ATOM 525 CB LEU A 33 6.263 -9.840 0.877 1.00 0.47 C ATOM 526 CG LEU A 33 7.494 -10.170 0.029 1.00 0.56 C ATOM 527 CD1 LEU A 33 8.596 -9.141 0.298 1.00 0.65 C ATOM 528 CD2 LEU A 33 8.002 -11.569 0.389 1.00 0.87 C ATOM 0 H LEU A 33 4.785 -8.544 -0.668 1.00 0.36 H new ATOM 0 HA LEU A 33 5.301 -11.359 -0.315 1.00 0.41 H new ATOM 0 HB2 LEU A 33 6.140 -8.760 0.953 1.00 0.47 H new ATOM 0 HB3 LEU A 33 6.395 -10.218 1.891 1.00 0.47 H new ATOM 0 HG LEU A 33 7.224 -10.141 -1.027 1.00 0.56 H new ATOM 0 HD11 LEU A 33 9.471 -9.378 -0.307 1.00 0.65 H new ATOM 0 HD12 LEU A 33 8.235 -8.145 0.039 1.00 0.65 H new ATOM 0 HD13 LEU A 33 8.867 -9.166 1.353 1.00 0.65 H new ATOM 0 HD21 LEU A 33 8.879 -11.804 -0.215 1.00 0.87 H new ATOM 0 HD22 LEU A 33 8.270 -11.598 1.445 1.00 0.87 H new ATOM 0 HD23 LEU A 33 7.219 -12.302 0.193 1.00 0.87 H new ATOM 540 N GLN A 34 3.207 -9.920 1.785 1.00 0.38 N ATOM 541 CA GLN A 34 2.210 -10.221 2.862 1.00 0.42 C ATOM 542 C GLN A 34 0.970 -10.895 2.259 1.00 0.43 C ATOM 543 O GLN A 34 0.500 -11.900 2.762 1.00 0.55 O ATOM 544 CB GLN A 34 1.792 -8.916 3.551 1.00 0.42 C ATOM 545 CG GLN A 34 2.995 -8.307 4.276 1.00 0.52 C ATOM 546 CD GLN A 34 2.641 -6.901 4.770 1.00 0.52 C ATOM 547 OE1 GLN A 34 2.440 -6.693 5.950 1.00 0.77 O ATOM 548 NE2 GLN A 34 2.554 -5.920 3.911 1.00 0.67 N ATOM 0 H GLN A 34 3.192 -8.959 1.443 1.00 0.38 H new ATOM 0 HA GLN A 34 2.665 -10.893 3.589 1.00 0.42 H new ATOM 0 HB2 GLN A 34 1.405 -8.212 2.814 1.00 0.42 H new ATOM 0 HB3 GLN A 34 0.987 -9.110 4.260 1.00 0.42 H new ATOM 0 HG2 GLN A 34 3.282 -8.937 5.118 1.00 0.52 H new ATOM 0 HG3 GLN A 34 3.852 -8.262 3.604 1.00 0.52 H new ATOM 0 HE21 GLN A 34 2.723 -6.093 2.920 1.00 0.67 H new ATOM 0 HE22 GLN A 34 2.318 -4.981 4.231 1.00 0.67 H new ATOM 557 N ILE A 35 0.433 -10.346 1.192 1.00 0.40 N ATOM 558 CA ILE A 35 -0.788 -10.947 0.555 1.00 0.44 C ATOM 559 C ILE A 35 -0.425 -12.214 -0.232 1.00 0.44 C ATOM 560 O ILE A 35 -1.273 -13.054 -0.476 1.00 0.53 O ATOM 561 CB ILE A 35 -1.444 -9.937 -0.404 1.00 0.42 C ATOM 562 CG1 ILE A 35 -0.407 -9.406 -1.404 1.00 0.38 C ATOM 563 CG2 ILE A 35 -2.025 -8.772 0.393 1.00 0.49 C ATOM 564 CD1 ILE A 35 -1.069 -8.419 -2.369 1.00 0.37 C ATOM 0 H ILE A 35 0.788 -9.507 0.734 1.00 0.40 H new ATOM 0 HA ILE A 35 -1.485 -11.205 1.352 1.00 0.44 H new ATOM 0 HB ILE A 35 -2.242 -10.439 -0.951 1.00 0.42 H new ATOM 0 HG12 ILE A 35 0.407 -8.915 -0.870 1.00 0.38 H new ATOM 0 HG13 ILE A 35 0.031 -10.234 -1.961 1.00 0.38 H new ATOM 0 HG21 ILE A 35 -2.488 -8.059 -0.289 1.00 0.49 H new ATOM 0 HG22 ILE A 35 -2.774 -9.146 1.091 1.00 0.49 H new ATOM 0 HG23 ILE A 35 -1.228 -8.277 0.948 1.00 0.49 H new ATOM 0 HD11 ILE A 35 -0.327 -8.047 -3.075 1.00 0.37 H new ATOM 0 HD12 ILE A 35 -1.867 -8.923 -2.914 1.00 0.37 H new ATOM 0 HD13 ILE A 35 -1.485 -7.583 -1.806 1.00 0.37 H new ATOM 576 N GLY A 36 0.814 -12.350 -0.652 1.00 0.39 N ATOM 577 CA GLY A 36 1.211 -13.550 -1.451 1.00 0.42 C ATOM 578 C GLY A 36 0.483 -13.491 -2.797 1.00 0.39 C ATOM 579 O GLY A 36 -0.069 -14.472 -3.259 1.00 0.48 O ATOM 0 H GLY A 36 1.564 -11.681 -0.475 1.00 0.39 H new ATOM 0 HA2 GLY A 36 2.290 -13.565 -1.603 1.00 0.42 H new ATOM 0 HA3 GLY A 36 0.951 -14.465 -0.918 1.00 0.42 H new ATOM 583 N THR A 37 0.468 -12.329 -3.409 1.00 0.30 N ATOM 584 CA THR A 37 -0.236 -12.157 -4.716 1.00 0.29 C ATOM 585 C THR A 37 0.744 -11.643 -5.786 1.00 0.27 C ATOM 586 O THR A 37 0.334 -11.271 -6.869 1.00 0.33 O ATOM 587 CB THR A 37 -1.373 -11.135 -4.539 1.00 0.30 C ATOM 588 OG1 THR A 37 -2.001 -11.325 -3.276 1.00 0.38 O ATOM 589 CG2 THR A 37 -2.410 -11.317 -5.645 1.00 0.35 C ATOM 0 H THR A 37 0.919 -11.486 -3.053 1.00 0.30 H new ATOM 0 HA THR A 37 -0.638 -13.118 -5.037 1.00 0.29 H new ATOM 0 HB THR A 37 -0.955 -10.130 -4.592 1.00 0.30 H new ATOM 0 HG1 THR A 37 -2.891 -10.916 -3.288 1.00 0.38 H new ATOM 0 HG21 THR A 37 -3.212 -10.591 -5.514 1.00 0.35 H new ATOM 0 HG22 THR A 37 -1.937 -11.165 -6.615 1.00 0.35 H new ATOM 0 HG23 THR A 37 -2.821 -12.325 -5.596 1.00 0.35 H new ATOM 597 N GLN A 38 2.032 -11.619 -5.490 1.00 0.31 N ATOM 598 CA GLN A 38 3.052 -11.127 -6.476 1.00 0.33 C ATOM 599 C GLN A 38 2.845 -9.625 -6.754 1.00 0.30 C ATOM 600 O GLN A 38 1.749 -9.111 -6.619 1.00 0.32 O ATOM 601 CB GLN A 38 2.937 -11.912 -7.793 1.00 0.38 C ATOM 602 CG GLN A 38 3.678 -13.246 -7.666 1.00 0.73 C ATOM 603 CD GLN A 38 3.046 -14.271 -8.609 1.00 1.41 C ATOM 604 OE1 GLN A 38 2.507 -15.266 -8.167 1.00 1.88 O ATOM 605 NE2 GLN A 38 3.088 -14.071 -9.901 1.00 1.95 N ATOM 0 H GLN A 38 2.419 -11.924 -4.597 1.00 0.31 H new ATOM 0 HA GLN A 38 4.044 -11.279 -6.051 1.00 0.33 H new ATOM 0 HB2 GLN A 38 1.888 -12.089 -8.032 1.00 0.38 H new ATOM 0 HB3 GLN A 38 3.356 -11.329 -8.613 1.00 0.38 H new ATOM 0 HG2 GLN A 38 4.732 -13.113 -7.909 1.00 0.73 H new ATOM 0 HG3 GLN A 38 3.631 -13.604 -6.638 1.00 0.73 H new ATOM 0 HE21 GLN A 38 3.540 -13.236 -10.273 1.00 1.95 H new ATOM 0 HE22 GLN A 38 2.668 -14.750 -10.536 1.00 1.95 H new ATOM 614 N PRO A 39 3.915 -8.967 -7.142 1.00 0.37 N ATOM 615 CA PRO A 39 3.896 -7.522 -7.457 1.00 0.47 C ATOM 616 C PRO A 39 3.279 -7.266 -8.844 1.00 0.45 C ATOM 617 O PRO A 39 2.989 -6.137 -9.197 1.00 0.59 O ATOM 618 CB PRO A 39 5.377 -7.131 -7.436 1.00 0.59 C ATOM 619 CG PRO A 39 6.178 -8.434 -7.672 1.00 0.58 C ATOM 620 CD PRO A 39 5.243 -9.599 -7.303 1.00 0.47 C ATOM 0 HA PRO A 39 3.294 -6.944 -6.756 1.00 0.47 H new ATOM 0 HB2 PRO A 39 5.595 -6.396 -8.210 1.00 0.59 H new ATOM 0 HB3 PRO A 39 5.645 -6.678 -6.482 1.00 0.59 H new ATOM 0 HG2 PRO A 39 6.498 -8.509 -8.711 1.00 0.58 H new ATOM 0 HG3 PRO A 39 7.079 -8.451 -7.059 1.00 0.58 H new ATOM 0 HD2 PRO A 39 5.229 -10.360 -8.083 1.00 0.47 H new ATOM 0 HD3 PRO A 39 5.563 -10.090 -6.384 1.00 0.47 H new ATOM 628 N ASN A 40 3.080 -8.303 -9.631 1.00 0.41 N ATOM 629 CA ASN A 40 2.488 -8.126 -10.993 1.00 0.50 C ATOM 630 C ASN A 40 1.014 -8.567 -11.003 1.00 0.45 C ATOM 631 O ASN A 40 0.338 -8.438 -12.008 1.00 0.56 O ATOM 632 CB ASN A 40 3.279 -8.971 -11.998 1.00 0.65 C ATOM 633 CG ASN A 40 4.578 -8.250 -12.367 1.00 0.89 C ATOM 634 OD1 ASN A 40 5.597 -8.451 -11.736 1.00 1.26 O ATOM 635 ND2 ASN A 40 4.584 -7.412 -13.370 1.00 1.32 N ATOM 0 H ASN A 40 3.305 -9.267 -9.383 1.00 0.41 H new ATOM 0 HA ASN A 40 2.539 -7.072 -11.267 1.00 0.50 H new ATOM 0 HB2 ASN A 40 3.503 -9.948 -11.570 1.00 0.65 H new ATOM 0 HB3 ASN A 40 2.681 -9.144 -12.893 1.00 0.65 H new ATOM 0 HD21 ASN A 40 5.444 -6.926 -13.624 1.00 1.32 H new ATOM 0 HD22 ASN A 40 3.728 -7.244 -13.899 1.00 1.32 H new ATOM 642 N LYS A 41 0.506 -9.082 -9.901 1.00 0.37 N ATOM 643 CA LYS A 41 -0.923 -9.523 -9.864 1.00 0.37 C ATOM 644 C LYS A 41 -1.716 -8.668 -8.862 1.00 0.32 C ATOM 645 O LYS A 41 -2.756 -9.081 -8.374 1.00 0.43 O ATOM 646 CB LYS A 41 -0.985 -10.997 -9.449 1.00 0.41 C ATOM 647 CG LYS A 41 -1.704 -11.805 -10.533 1.00 0.77 C ATOM 648 CD LYS A 41 -0.756 -12.872 -11.083 1.00 1.13 C ATOM 649 CE LYS A 41 -1.094 -13.144 -12.550 1.00 1.77 C ATOM 650 NZ LYS A 41 -0.176 -12.363 -13.428 1.00 2.53 N ATOM 0 H LYS A 41 1.022 -9.214 -9.031 1.00 0.37 H new ATOM 0 HA LYS A 41 -1.363 -9.401 -10.854 1.00 0.37 H new ATOM 0 HB2 LYS A 41 0.022 -11.386 -9.299 1.00 0.41 H new ATOM 0 HB3 LYS A 41 -1.510 -11.096 -8.499 1.00 0.41 H new ATOM 0 HG2 LYS A 41 -2.597 -12.274 -10.120 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -2.032 -11.145 -11.336 1.00 0.77 H new ATOM 0 HD2 LYS A 41 0.277 -12.538 -10.992 1.00 1.13 H new ATOM 0 HD3 LYS A 41 -0.846 -13.789 -10.501 1.00 1.13 H new ATOM 0 HE2 LYS A 41 -1.000 -14.209 -12.764 1.00 1.77 H new ATOM 0 HE3 LYS A 41 -2.129 -12.868 -12.752 1.00 1.77 H new ATOM 0 HZ1 LYS A 41 -0.407 -12.549 -14.425 1.00 2.53 H new ATOM 0 HZ2 LYS A 41 -0.287 -11.348 -13.231 1.00 2.53 H new ATOM 0 HZ3 LYS A 41 0.807 -12.647 -13.242 1.00 2.53 H new ATOM 664 N ILE A 42 -1.243 -7.478 -8.558 1.00 0.28 N ATOM 665 CA ILE A 42 -1.978 -6.600 -7.595 1.00 0.27 C ATOM 666 C ILE A 42 -2.151 -5.200 -8.188 1.00 0.28 C ATOM 667 O ILE A 42 -1.233 -4.630 -8.752 1.00 0.42 O ATOM 668 CB ILE A 42 -1.213 -6.502 -6.267 1.00 0.29 C ATOM 669 CG1 ILE A 42 0.272 -6.216 -6.530 1.00 0.36 C ATOM 670 CG2 ILE A 42 -1.355 -7.818 -5.498 1.00 0.40 C ATOM 671 CD1 ILE A 42 0.979 -5.909 -5.207 1.00 0.48 C ATOM 0 H ILE A 42 -0.383 -7.081 -8.936 1.00 0.28 H new ATOM 0 HA ILE A 42 -2.958 -7.038 -7.409 1.00 0.27 H new ATOM 0 HB ILE A 42 -1.630 -5.686 -5.676 1.00 0.29 H new ATOM 0 HG12 ILE A 42 0.738 -7.075 -7.012 1.00 0.36 H new ATOM 0 HG13 ILE A 42 0.375 -5.373 -7.213 1.00 0.36 H new ATOM 0 HG21 ILE A 42 -0.812 -7.749 -4.555 1.00 0.40 H new ATOM 0 HG22 ILE A 42 -2.409 -8.010 -5.297 1.00 0.40 H new ATOM 0 HG23 ILE A 42 -0.945 -8.634 -6.094 1.00 0.40 H new ATOM 0 HD11 ILE A 42 2.033 -5.706 -5.396 1.00 0.48 H new ATOM 0 HD12 ILE A 42 0.519 -5.036 -4.743 1.00 0.48 H new ATOM 0 HD13 ILE A 42 0.889 -6.765 -4.539 1.00 0.48 H new ATOM 683 N VAL A 43 -3.329 -4.644 -8.047 1.00 0.26 N ATOM 684 CA VAL A 43 -3.604 -3.275 -8.575 1.00 0.26 C ATOM 685 C VAL A 43 -3.824 -2.335 -7.385 1.00 0.24 C ATOM 686 O VAL A 43 -4.793 -2.462 -6.657 1.00 0.28 O ATOM 687 CB VAL A 43 -4.860 -3.304 -9.458 1.00 0.31 C ATOM 688 CG1 VAL A 43 -5.170 -1.889 -9.960 1.00 0.37 C ATOM 689 CG2 VAL A 43 -4.625 -4.226 -10.659 1.00 0.42 C ATOM 0 H VAL A 43 -4.121 -5.088 -7.582 1.00 0.26 H new ATOM 0 HA VAL A 43 -2.764 -2.926 -9.175 1.00 0.26 H new ATOM 0 HB VAL A 43 -5.701 -3.676 -8.872 1.00 0.31 H new ATOM 0 HG11 VAL A 43 -6.062 -1.912 -10.586 1.00 0.37 H new ATOM 0 HG12 VAL A 43 -5.342 -1.230 -9.109 1.00 0.37 H new ATOM 0 HG13 VAL A 43 -4.327 -1.517 -10.542 1.00 0.37 H new ATOM 0 HG21 VAL A 43 -5.518 -4.245 -11.284 1.00 0.42 H new ATOM 0 HG22 VAL A 43 -3.782 -3.856 -11.242 1.00 0.42 H new ATOM 0 HG23 VAL A 43 -4.408 -5.234 -10.307 1.00 0.42 H new ATOM 699 N LEU A 44 -2.923 -1.408 -7.175 1.00 0.25 N ATOM 700 CA LEU A 44 -3.063 -0.470 -6.022 1.00 0.25 C ATOM 701 C LEU A 44 -3.635 0.868 -6.499 1.00 0.27 C ATOM 702 O LEU A 44 -3.189 1.428 -7.486 1.00 0.32 O ATOM 703 CB LEU A 44 -1.690 -0.251 -5.382 1.00 0.29 C ATOM 704 CG LEU A 44 -1.347 -1.456 -4.502 1.00 0.34 C ATOM 705 CD1 LEU A 44 0.169 -1.664 -4.479 1.00 0.44 C ATOM 706 CD2 LEU A 44 -1.858 -1.209 -3.079 1.00 0.44 C ATOM 0 H LEU A 44 -2.096 -1.261 -7.754 1.00 0.25 H new ATOM 0 HA LEU A 44 -3.744 -0.899 -5.287 1.00 0.25 H new ATOM 0 HB2 LEU A 44 -0.932 -0.122 -6.154 1.00 0.29 H new ATOM 0 HB3 LEU A 44 -1.695 0.661 -4.785 1.00 0.29 H new ATOM 0 HG LEU A 44 -1.823 -2.349 -4.908 1.00 0.34 H new ATOM 0 HD11 LEU A 44 0.409 -2.522 -3.852 1.00 0.44 H new ATOM 0 HD12 LEU A 44 0.527 -1.844 -5.493 1.00 0.44 H new ATOM 0 HD13 LEU A 44 0.652 -0.774 -4.076 1.00 0.44 H new ATOM 0 HD21 LEU A 44 -1.615 -2.066 -2.451 1.00 0.44 H new ATOM 0 HD22 LEU A 44 -1.385 -0.315 -2.672 1.00 0.44 H new ATOM 0 HD23 LEU A 44 -2.939 -1.070 -3.100 1.00 0.44 H new ATOM 718 N GLN A 45 -4.625 1.382 -5.804 1.00 0.35 N ATOM 719 CA GLN A 45 -5.239 2.682 -6.212 1.00 0.43 C ATOM 720 C GLN A 45 -5.200 3.658 -5.031 1.00 0.45 C ATOM 721 O GLN A 45 -5.736 3.385 -3.974 1.00 0.69 O ATOM 722 CB GLN A 45 -6.695 2.457 -6.644 1.00 0.48 C ATOM 723 CG GLN A 45 -6.811 1.143 -7.426 1.00 0.54 C ATOM 724 CD GLN A 45 -7.854 1.291 -8.536 1.00 0.90 C ATOM 725 OE1 GLN A 45 -7.509 1.415 -9.695 1.00 1.27 O ATOM 726 NE2 GLN A 45 -9.124 1.276 -8.232 1.00 1.26 N ATOM 0 H GLN A 45 -5.032 0.955 -4.972 1.00 0.35 H new ATOM 0 HA GLN A 45 -4.677 3.098 -7.048 1.00 0.43 H new ATOM 0 HB2 GLN A 45 -7.343 2.427 -5.768 1.00 0.48 H new ATOM 0 HB3 GLN A 45 -7.033 3.289 -7.262 1.00 0.48 H new ATOM 0 HG2 GLN A 45 -5.845 0.878 -7.855 1.00 0.54 H new ATOM 0 HG3 GLN A 45 -7.094 0.333 -6.754 1.00 0.54 H new ATOM 0 HE21 GLN A 45 -9.414 1.172 -7.260 1.00 1.26 H new ATOM 0 HE22 GLN A 45 -9.825 1.368 -8.967 1.00 1.26 H new ATOM 735 N LYS A 46 -4.566 4.795 -5.206 1.00 0.36 N ATOM 736 CA LYS A 46 -4.486 5.795 -4.096 1.00 0.41 C ATOM 737 C LYS A 46 -5.577 6.858 -4.280 1.00 0.41 C ATOM 738 O LYS A 46 -5.387 7.846 -4.969 1.00 0.49 O ATOM 739 CB LYS A 46 -3.105 6.460 -4.111 1.00 0.48 C ATOM 740 CG LYS A 46 -2.695 6.829 -2.681 1.00 0.61 C ATOM 741 CD LYS A 46 -1.592 7.890 -2.715 1.00 0.96 C ATOM 742 CE LYS A 46 -2.203 9.247 -3.078 1.00 0.99 C ATOM 743 NZ LYS A 46 -2.363 10.077 -1.848 1.00 1.12 N ATOM 0 H LYS A 46 -4.101 5.072 -6.071 1.00 0.36 H new ATOM 0 HA LYS A 46 -4.636 5.293 -3.140 1.00 0.41 H new ATOM 0 HB2 LYS A 46 -2.370 5.784 -4.548 1.00 0.48 H new ATOM 0 HB3 LYS A 46 -3.127 7.353 -4.735 1.00 0.48 H new ATOM 0 HG2 LYS A 46 -3.558 7.206 -2.131 1.00 0.61 H new ATOM 0 HG3 LYS A 46 -2.343 5.942 -2.154 1.00 0.61 H new ATOM 0 HD2 LYS A 46 -1.099 7.949 -1.745 1.00 0.96 H new ATOM 0 HD3 LYS A 46 -0.830 7.615 -3.444 1.00 0.96 H new ATOM 0 HE2 LYS A 46 -1.565 9.763 -3.795 1.00 0.99 H new ATOM 0 HE3 LYS A 46 -3.171 9.103 -3.559 1.00 0.99 H new ATOM 0 HZ1 LYS A 46 -3.177 10.714 -1.963 1.00 1.12 H new ATOM 0 HZ2 LYS A 46 -2.522 9.456 -1.029 1.00 1.12 H new ATOM 0 HZ3 LYS A 46 -1.502 10.639 -1.694 1.00 1.12 H new ATOM 757 N GLY A 47 -6.719 6.657 -3.663 1.00 0.48 N ATOM 758 CA GLY A 47 -7.841 7.640 -3.783 1.00 0.57 C ATOM 759 C GLY A 47 -8.334 7.706 -5.234 1.00 0.49 C ATOM 760 O GLY A 47 -8.501 8.777 -5.789 1.00 0.62 O ATOM 0 H GLY A 47 -6.922 5.847 -3.077 1.00 0.48 H new ATOM 0 HA2 GLY A 47 -8.661 7.350 -3.126 1.00 0.57 H new ATOM 0 HA3 GLY A 47 -7.507 8.626 -3.460 1.00 0.57 H new ATOM 764 N GLY A 48 -8.569 6.567 -5.847 1.00 0.44 N ATOM 765 CA GLY A 48 -9.055 6.549 -7.262 1.00 0.48 C ATOM 766 C GLY A 48 -7.910 6.918 -8.211 1.00 0.44 C ATOM 767 O GLY A 48 -8.084 7.699 -9.129 1.00 0.63 O ATOM 0 H GLY A 48 -8.444 5.647 -5.424 1.00 0.44 H new ATOM 0 HA2 GLY A 48 -9.441 5.560 -7.511 1.00 0.48 H new ATOM 0 HA3 GLY A 48 -9.879 7.252 -7.382 1.00 0.48 H new ATOM 771 N SER A 49 -6.743 6.355 -8.000 1.00 0.35 N ATOM 772 CA SER A 49 -5.577 6.657 -8.886 1.00 0.35 C ATOM 773 C SER A 49 -4.787 5.367 -9.117 1.00 0.30 C ATOM 774 O SER A 49 -4.361 4.723 -8.180 1.00 0.30 O ATOM 775 CB SER A 49 -4.677 7.701 -8.218 1.00 0.41 C ATOM 776 OG SER A 49 -3.816 8.275 -9.194 1.00 0.76 O ATOM 0 H SER A 49 -6.549 5.695 -7.247 1.00 0.35 H new ATOM 0 HA SER A 49 -5.929 7.052 -9.839 1.00 0.35 H new ATOM 0 HB2 SER A 49 -5.285 8.476 -7.752 1.00 0.41 H new ATOM 0 HB3 SER A 49 -4.089 7.237 -7.426 1.00 0.41 H new ATOM 0 HG SER A 49 -3.240 8.945 -8.769 1.00 0.76 H new ATOM 782 N VAL A 50 -4.594 4.982 -10.355 1.00 0.40 N ATOM 783 CA VAL A 50 -3.840 3.721 -10.637 1.00 0.41 C ATOM 784 C VAL A 50 -2.336 3.968 -10.482 1.00 0.30 C ATOM 785 O VAL A 50 -1.763 4.831 -11.125 1.00 0.39 O ATOM 786 CB VAL A 50 -4.143 3.220 -12.059 1.00 0.59 C ATOM 787 CG1 VAL A 50 -5.620 2.835 -12.161 1.00 0.76 C ATOM 788 CG2 VAL A 50 -3.828 4.315 -13.088 1.00 0.67 C ATOM 0 H VAL A 50 -4.924 5.484 -11.179 1.00 0.40 H new ATOM 0 HA VAL A 50 -4.155 2.959 -9.924 1.00 0.41 H new ATOM 0 HB VAL A 50 -3.520 2.350 -12.267 1.00 0.59 H new ATOM 0 HG11 VAL A 50 -5.835 2.480 -13.169 1.00 0.76 H new ATOM 0 HG12 VAL A 50 -5.840 2.045 -11.443 1.00 0.76 H new ATOM 0 HG13 VAL A 50 -6.239 3.706 -11.944 1.00 0.76 H new ATOM 0 HG21 VAL A 50 -4.047 3.946 -14.090 1.00 0.67 H new ATOM 0 HG22 VAL A 50 -4.439 5.194 -12.883 1.00 0.67 H new ATOM 0 HG23 VAL A 50 -2.774 4.583 -13.023 1.00 0.67 H new ATOM 798 N LEU A 51 -1.701 3.209 -9.621 1.00 0.29 N ATOM 799 CA LEU A 51 -0.234 3.372 -9.395 1.00 0.28 C ATOM 800 C LEU A 51 0.523 2.374 -10.274 1.00 0.30 C ATOM 801 O LEU A 51 0.271 1.181 -10.232 1.00 0.48 O ATOM 802 CB LEU A 51 0.098 3.110 -7.918 1.00 0.36 C ATOM 803 CG LEU A 51 -0.919 3.817 -7.014 1.00 0.33 C ATOM 804 CD1 LEU A 51 -0.638 3.457 -5.554 1.00 0.48 C ATOM 805 CD2 LEU A 51 -0.805 5.334 -7.198 1.00 0.35 C ATOM 0 H LEU A 51 -2.142 2.479 -9.062 1.00 0.29 H new ATOM 0 HA LEU A 51 0.062 4.389 -9.652 1.00 0.28 H new ATOM 0 HB2 LEU A 51 0.088 2.038 -7.720 1.00 0.36 H new ATOM 0 HB3 LEU A 51 1.104 3.466 -7.695 1.00 0.36 H new ATOM 0 HG LEU A 51 -1.926 3.496 -7.281 1.00 0.33 H new ATOM 0 HD11 LEU A 51 -1.360 3.959 -4.910 1.00 0.48 H new ATOM 0 HD12 LEU A 51 -0.723 2.378 -5.422 1.00 0.48 H new ATOM 0 HD13 LEU A 51 0.369 3.777 -5.288 1.00 0.48 H new ATOM 0 HD21 LEU A 51 -1.529 5.834 -6.554 1.00 0.35 H new ATOM 0 HD22 LEU A 51 0.201 5.658 -6.933 1.00 0.35 H new ATOM 0 HD23 LEU A 51 -1.006 5.590 -8.238 1.00 0.35 H new ATOM 817 N LYS A 52 1.445 2.854 -11.072 1.00 0.30 N ATOM 818 CA LYS A 52 2.226 1.945 -11.965 1.00 0.35 C ATOM 819 C LYS A 52 3.648 1.789 -11.423 1.00 0.31 C ATOM 820 O LYS A 52 4.233 2.727 -10.910 1.00 0.28 O ATOM 821 CB LYS A 52 2.281 2.537 -13.375 1.00 0.42 C ATOM 822 CG LYS A 52 1.412 1.701 -14.317 1.00 0.75 C ATOM 823 CD LYS A 52 -0.017 2.254 -14.323 1.00 1.41 C ATOM 824 CE LYS A 52 -0.245 3.077 -15.597 1.00 1.71 C ATOM 825 NZ LYS A 52 -0.617 4.479 -15.242 1.00 2.21 N ATOM 0 H LYS A 52 1.691 3.841 -11.143 1.00 0.30 H new ATOM 0 HA LYS A 52 1.742 0.969 -11.998 1.00 0.35 H new ATOM 0 HB2 LYS A 52 1.931 3.569 -13.361 1.00 0.42 H new ATOM 0 HB3 LYS A 52 3.310 2.555 -13.733 1.00 0.42 H new ATOM 0 HG2 LYS A 52 1.826 1.723 -15.325 1.00 0.75 H new ATOM 0 HG3 LYS A 52 1.408 0.659 -13.996 1.00 0.75 H new ATOM 0 HD2 LYS A 52 -0.735 1.435 -14.274 1.00 1.41 H new ATOM 0 HD3 LYS A 52 -0.181 2.875 -13.442 1.00 1.41 H new ATOM 0 HE2 LYS A 52 0.658 3.075 -16.207 1.00 1.71 H new ATOM 0 HE3 LYS A 52 -1.035 2.623 -16.196 1.00 1.71 H new ATOM 0 HZ1 LYS A 52 -0.620 5.065 -16.101 1.00 2.21 H new ATOM 0 HZ2 LYS A 52 -1.564 4.489 -14.812 1.00 2.21 H new ATOM 0 HZ3 LYS A 52 0.074 4.861 -14.565 1.00 2.21 H new ATOM 839 N ASP A 53 4.205 0.606 -11.541 1.00 0.35 N ATOM 840 CA ASP A 53 5.597 0.359 -11.042 1.00 0.35 C ATOM 841 C ASP A 53 6.586 1.302 -11.745 1.00 0.33 C ATOM 842 O ASP A 53 7.612 1.654 -11.192 1.00 0.41 O ATOM 843 CB ASP A 53 6.001 -1.098 -11.320 1.00 0.40 C ATOM 844 CG ASP A 53 4.845 -2.045 -10.971 1.00 0.49 C ATOM 845 OD1 ASP A 53 4.542 -2.176 -9.796 1.00 0.65 O ATOM 846 OD2 ASP A 53 4.281 -2.622 -11.886 1.00 0.70 O ATOM 0 H ASP A 53 3.752 -0.204 -11.964 1.00 0.35 H new ATOM 0 HA ASP A 53 5.621 0.546 -9.968 1.00 0.35 H new ATOM 0 HB2 ASP A 53 6.271 -1.214 -12.370 1.00 0.40 H new ATOM 0 HB3 ASP A 53 6.882 -1.357 -10.733 1.00 0.40 H new ATOM 851 N HIS A 54 6.281 1.711 -12.959 1.00 0.33 N ATOM 852 CA HIS A 54 7.193 2.632 -13.711 1.00 0.35 C ATOM 853 C HIS A 54 7.260 4.008 -13.030 1.00 0.35 C ATOM 854 O HIS A 54 8.216 4.742 -13.209 1.00 0.45 O ATOM 855 CB HIS A 54 6.666 2.812 -15.138 1.00 0.40 C ATOM 856 CG HIS A 54 7.424 1.909 -16.072 1.00 0.83 C ATOM 857 ND1 HIS A 54 8.620 2.291 -16.660 1.00 1.32 N ATOM 858 CD2 HIS A 54 7.170 0.641 -16.529 1.00 1.43 C ATOM 859 CE1 HIS A 54 9.038 1.269 -17.427 1.00 1.84 C ATOM 860 NE2 HIS A 54 8.191 0.239 -17.385 1.00 1.91 N ATOM 0 H HIS A 54 5.434 1.443 -13.461 1.00 0.33 H new ATOM 0 HA HIS A 54 8.191 2.195 -13.726 1.00 0.35 H new ATOM 0 HB2 HIS A 54 5.602 2.580 -15.176 1.00 0.40 H new ATOM 0 HB3 HIS A 54 6.777 3.851 -15.450 1.00 0.40 H new ATOM 0 HD2 HIS A 54 6.309 0.045 -16.265 1.00 1.43 H new ATOM 0 HE1 HIS A 54 9.949 1.280 -18.007 1.00 1.84 H new ATOM 0 HE2 HIS A 54 8.274 -0.652 -17.875 1.00 1.91 H new ATOM 868 N ILE A 55 6.257 4.366 -12.261 1.00 0.31 N ATOM 869 CA ILE A 55 6.262 5.698 -11.580 1.00 0.31 C ATOM 870 C ILE A 55 6.643 5.521 -10.104 1.00 0.28 C ATOM 871 O ILE A 55 6.448 4.467 -9.524 1.00 0.31 O ATOM 872 CB ILE A 55 4.868 6.332 -11.698 1.00 0.34 C ATOM 873 CG1 ILE A 55 4.574 6.639 -13.172 1.00 0.42 C ATOM 874 CG2 ILE A 55 4.813 7.635 -10.896 1.00 0.37 C ATOM 875 CD1 ILE A 55 3.678 5.548 -13.758 1.00 0.65 C ATOM 0 H ILE A 55 5.435 3.791 -12.077 1.00 0.31 H new ATOM 0 HA ILE A 55 6.993 6.352 -12.054 1.00 0.31 H new ATOM 0 HB ILE A 55 4.127 5.636 -11.305 1.00 0.34 H new ATOM 0 HG12 ILE A 55 4.086 7.610 -13.261 1.00 0.42 H new ATOM 0 HG13 ILE A 55 5.506 6.698 -13.734 1.00 0.42 H new ATOM 0 HG21 ILE A 55 3.820 8.076 -10.986 1.00 0.37 H new ATOM 0 HG22 ILE A 55 5.023 7.426 -9.847 1.00 0.37 H new ATOM 0 HG23 ILE A 55 5.557 8.332 -11.283 1.00 0.37 H new ATOM 0 HD11 ILE A 55 3.472 5.770 -14.805 1.00 0.65 H new ATOM 0 HD12 ILE A 55 4.182 4.584 -13.684 1.00 0.65 H new ATOM 0 HD13 ILE A 55 2.740 5.510 -13.204 1.00 0.65 H new ATOM 887 N SER A 56 7.193 6.549 -9.499 1.00 0.31 N ATOM 888 CA SER A 56 7.601 6.454 -8.066 1.00 0.31 C ATOM 889 C SER A 56 6.449 6.893 -7.154 1.00 0.27 C ATOM 890 O SER A 56 5.566 7.632 -7.558 1.00 0.30 O ATOM 891 CB SER A 56 8.817 7.350 -7.816 1.00 0.34 C ATOM 892 OG SER A 56 9.616 6.780 -6.787 1.00 0.75 O ATOM 0 H SER A 56 7.376 7.450 -9.940 1.00 0.31 H new ATOM 0 HA SER A 56 7.856 5.418 -7.842 1.00 0.31 H new ATOM 0 HB2 SER A 56 9.401 7.454 -8.730 1.00 0.34 H new ATOM 0 HB3 SER A 56 8.493 8.351 -7.529 1.00 0.34 H new ATOM 0 HG SER A 56 9.041 6.300 -6.155 1.00 0.75 H new ATOM 898 N LEU A 57 6.466 6.447 -5.917 1.00 0.27 N ATOM 899 CA LEU A 57 5.390 6.827 -4.948 1.00 0.29 C ATOM 900 C LEU A 57 5.379 8.352 -4.767 1.00 0.28 C ATOM 901 O LEU A 57 4.331 8.960 -4.665 1.00 0.33 O ATOM 902 CB LEU A 57 5.654 6.156 -3.595 1.00 0.32 C ATOM 903 CG LEU A 57 5.531 4.634 -3.733 1.00 0.40 C ATOM 904 CD1 LEU A 57 6.267 3.956 -2.576 1.00 0.44 C ATOM 905 CD2 LEU A 57 4.054 4.232 -3.701 1.00 0.60 C ATOM 0 H LEU A 57 7.185 5.832 -5.537 1.00 0.27 H new ATOM 0 HA LEU A 57 4.425 6.498 -5.334 1.00 0.29 H new ATOM 0 HB2 LEU A 57 6.650 6.418 -3.238 1.00 0.32 H new ATOM 0 HB3 LEU A 57 4.943 6.521 -2.854 1.00 0.32 H new ATOM 0 HG LEU A 57 5.971 4.321 -4.680 1.00 0.40 H new ATOM 0 HD11 LEU A 57 6.180 2.874 -2.674 1.00 0.44 H new ATOM 0 HD12 LEU A 57 7.319 4.239 -2.599 1.00 0.44 H new ATOM 0 HD13 LEU A 57 5.827 4.272 -1.630 1.00 0.44 H new ATOM 0 HD21 LEU A 57 3.969 3.150 -3.799 1.00 0.60 H new ATOM 0 HD22 LEU A 57 3.612 4.546 -2.756 1.00 0.60 H new ATOM 0 HD23 LEU A 57 3.528 4.713 -4.525 1.00 0.60 H new ATOM 917 N GLU A 58 6.545 8.966 -4.729 1.00 0.26 N ATOM 918 CA GLU A 58 6.626 10.452 -4.561 1.00 0.29 C ATOM 919 C GLU A 58 5.885 11.148 -5.711 1.00 0.29 C ATOM 920 O GLU A 58 5.282 12.189 -5.524 1.00 0.34 O ATOM 921 CB GLU A 58 8.096 10.888 -4.566 1.00 0.33 C ATOM 922 CG GLU A 58 8.341 11.894 -3.436 1.00 0.48 C ATOM 923 CD GLU A 58 9.692 11.605 -2.773 1.00 0.51 C ATOM 924 OE1 GLU A 58 10.703 11.998 -3.334 1.00 0.70 O ATOM 925 OE2 GLU A 58 9.693 10.998 -1.714 1.00 0.77 O ATOM 0 H GLU A 58 7.446 8.495 -4.808 1.00 0.26 H new ATOM 0 HA GLU A 58 6.164 10.731 -3.614 1.00 0.29 H new ATOM 0 HB2 GLU A 58 8.743 10.020 -4.440 1.00 0.33 H new ATOM 0 HB3 GLU A 58 8.349 11.337 -5.527 1.00 0.33 H new ATOM 0 HG2 GLU A 58 8.328 12.910 -3.831 1.00 0.48 H new ATOM 0 HG3 GLU A 58 7.541 11.829 -2.698 1.00 0.48 H new ATOM 932 N ASP A 59 5.920 10.572 -6.895 1.00 0.29 N ATOM 933 CA ASP A 59 5.211 11.186 -8.061 1.00 0.32 C ATOM 934 C ASP A 59 3.701 11.187 -7.789 1.00 0.31 C ATOM 935 O ASP A 59 3.027 12.177 -8.007 1.00 0.39 O ATOM 936 CB ASP A 59 5.507 10.372 -9.325 1.00 0.39 C ATOM 937 CG ASP A 59 5.195 11.211 -10.569 1.00 0.74 C ATOM 938 OD1 ASP A 59 6.081 11.923 -11.016 1.00 1.10 O ATOM 939 OD2 ASP A 59 4.079 11.126 -11.053 1.00 1.16 O ATOM 0 H ASP A 59 6.411 9.702 -7.100 1.00 0.29 H new ATOM 0 HA ASP A 59 5.556 12.210 -8.204 1.00 0.32 H new ATOM 0 HB2 ASP A 59 6.553 10.066 -9.335 1.00 0.39 H new ATOM 0 HB3 ASP A 59 4.908 9.461 -9.330 1.00 0.39 H new ATOM 944 N TYR A 60 3.176 10.084 -7.301 1.00 0.30 N ATOM 945 CA TYR A 60 1.713 10.006 -6.993 1.00 0.33 C ATOM 946 C TYR A 60 1.402 10.813 -5.720 1.00 0.32 C ATOM 947 O TYR A 60 0.258 11.132 -5.452 1.00 0.38 O ATOM 948 CB TYR A 60 1.318 8.542 -6.767 1.00 0.38 C ATOM 949 CG TYR A 60 1.293 7.806 -8.086 1.00 0.33 C ATOM 950 CD1 TYR A 60 0.318 8.114 -9.044 1.00 0.39 C ATOM 951 CD2 TYR A 60 2.243 6.813 -8.351 1.00 0.39 C ATOM 952 CE1 TYR A 60 0.293 7.428 -10.263 1.00 0.44 C ATOM 953 CE2 TYR A 60 2.219 6.127 -9.571 1.00 0.42 C ATOM 954 CZ TYR A 60 1.243 6.434 -10.528 1.00 0.41 C ATOM 955 OH TYR A 60 1.222 5.753 -11.731 1.00 0.52 O ATOM 0 H TYR A 60 3.702 9.233 -7.103 1.00 0.30 H new ATOM 0 HA TYR A 60 1.150 10.418 -7.830 1.00 0.33 H new ATOM 0 HB2 TYR A 60 2.026 8.066 -6.089 1.00 0.38 H new ATOM 0 HB3 TYR A 60 0.338 8.490 -6.293 1.00 0.38 H new ATOM 0 HD1 TYR A 60 -0.415 8.881 -8.841 1.00 0.39 H new ATOM 0 HD2 TYR A 60 2.995 6.576 -7.613 1.00 0.39 H new ATOM 0 HE1 TYR A 60 -0.460 7.665 -11.000 1.00 0.44 H new ATOM 0 HE2 TYR A 60 2.953 5.361 -9.774 1.00 0.42 H new ATOM 0 HH TYR A 60 0.345 5.333 -11.854 1.00 0.52 H new ATOM 965 N GLU A 61 2.415 11.131 -4.935 1.00 0.30 N ATOM 966 CA GLU A 61 2.211 11.906 -3.670 1.00 0.33 C ATOM 967 C GLU A 61 1.540 11.003 -2.625 1.00 0.34 C ATOM 968 O GLU A 61 0.395 11.197 -2.252 1.00 0.49 O ATOM 969 CB GLU A 61 1.348 13.151 -3.942 1.00 0.41 C ATOM 970 CG GLU A 61 1.819 14.307 -3.051 1.00 0.53 C ATOM 971 CD GLU A 61 1.330 14.090 -1.613 1.00 0.66 C ATOM 972 OE1 GLU A 61 0.201 14.461 -1.329 1.00 0.84 O ATOM 973 OE2 GLU A 61 2.092 13.560 -0.821 1.00 0.80 O ATOM 0 H GLU A 61 3.385 10.880 -5.125 1.00 0.30 H new ATOM 0 HA GLU A 61 3.176 12.238 -3.288 1.00 0.33 H new ATOM 0 HB2 GLU A 61 1.421 13.434 -4.992 1.00 0.41 H new ATOM 0 HB3 GLU A 61 0.299 12.930 -3.744 1.00 0.41 H new ATOM 0 HG2 GLU A 61 2.907 14.371 -3.069 1.00 0.53 H new ATOM 0 HG3 GLU A 61 1.437 15.253 -3.435 1.00 0.53 H new ATOM 980 N VAL A 62 2.259 10.012 -2.151 1.00 0.31 N ATOM 981 CA VAL A 62 1.694 9.081 -1.128 1.00 0.35 C ATOM 982 C VAL A 62 2.001 9.630 0.270 1.00 0.34 C ATOM 983 O VAL A 62 3.146 9.871 0.616 1.00 0.47 O ATOM 984 CB VAL A 62 2.323 7.691 -1.296 1.00 0.39 C ATOM 985 CG1 VAL A 62 1.833 6.759 -0.184 1.00 0.50 C ATOM 986 CG2 VAL A 62 1.921 7.112 -2.656 1.00 0.46 C ATOM 0 H VAL A 62 3.218 9.809 -2.432 1.00 0.31 H new ATOM 0 HA VAL A 62 0.615 8.998 -1.257 1.00 0.35 H new ATOM 0 HB VAL A 62 3.408 7.780 -1.239 1.00 0.39 H new ATOM 0 HG11 VAL A 62 2.283 5.774 -0.310 1.00 0.50 H new ATOM 0 HG12 VAL A 62 2.118 7.168 0.785 1.00 0.50 H new ATOM 0 HG13 VAL A 62 0.748 6.671 -0.235 1.00 0.50 H new ATOM 0 HG21 VAL A 62 2.367 6.125 -2.777 1.00 0.46 H new ATOM 0 HG22 VAL A 62 0.835 7.029 -2.710 1.00 0.46 H new ATOM 0 HG23 VAL A 62 2.274 7.770 -3.450 1.00 0.46 H new ATOM 996 N HIS A 63 0.982 9.835 1.069 1.00 0.31 N ATOM 997 CA HIS A 63 1.192 10.376 2.447 1.00 0.31 C ATOM 998 C HIS A 63 1.181 9.233 3.470 1.00 0.29 C ATOM 999 O HIS A 63 0.712 8.142 3.195 1.00 0.36 O ATOM 1000 CB HIS A 63 0.069 11.366 2.777 1.00 0.38 C ATOM 1001 CG HIS A 63 0.650 12.574 3.460 1.00 0.60 C ATOM 1002 ND1 HIS A 63 1.359 13.543 2.767 1.00 0.96 N ATOM 1003 CD2 HIS A 63 0.636 12.984 4.768 1.00 1.08 C ATOM 1004 CE1 HIS A 63 1.740 14.478 3.656 1.00 1.25 C ATOM 1005 NE2 HIS A 63 1.325 14.186 4.892 1.00 1.31 N ATOM 0 H HIS A 63 0.009 9.650 0.824 1.00 0.31 H new ATOM 0 HA HIS A 63 2.157 10.881 2.490 1.00 0.31 H new ATOM 0 HB2 HIS A 63 -0.447 11.664 1.864 1.00 0.38 H new ATOM 0 HB3 HIS A 63 -0.671 10.891 3.421 1.00 0.38 H new ATOM 0 HD2 HIS A 63 0.161 12.453 5.580 1.00 1.08 H new ATOM 0 HE1 HIS A 63 2.312 15.358 3.401 1.00 1.25 H new ATOM 0 HE2 HIS A 63 1.480 14.727 5.742 1.00 1.31 H new ATOM 1013 N ASP A 64 1.691 9.484 4.654 1.00 0.30 N ATOM 1014 CA ASP A 64 1.712 8.425 5.712 1.00 0.31 C ATOM 1015 C ASP A 64 0.278 8.149 6.187 1.00 0.31 C ATOM 1016 O ASP A 64 -0.542 9.048 6.266 1.00 0.34 O ATOM 1017 CB ASP A 64 2.575 8.886 6.898 1.00 0.36 C ATOM 1018 CG ASP A 64 1.978 10.150 7.532 1.00 0.44 C ATOM 1019 OD1 ASP A 64 2.253 11.229 7.031 1.00 0.56 O ATOM 1020 OD2 ASP A 64 1.257 10.017 8.509 1.00 0.58 O ATOM 0 H ASP A 64 2.094 10.379 4.932 1.00 0.30 H new ATOM 0 HA ASP A 64 2.139 7.511 5.299 1.00 0.31 H new ATOM 0 HB2 ASP A 64 2.636 8.092 7.642 1.00 0.36 H new ATOM 0 HB3 ASP A 64 3.592 9.086 6.560 1.00 0.36 H new ATOM 1025 N GLN A 65 -0.023 6.908 6.495 1.00 0.35 N ATOM 1026 CA GLN A 65 -1.400 6.539 6.962 1.00 0.39 C ATOM 1027 C GLN A 65 -2.435 6.885 5.875 1.00 0.37 C ATOM 1028 O GLN A 65 -3.561 7.247 6.171 1.00 0.45 O ATOM 1029 CB GLN A 65 -1.723 7.296 8.260 1.00 0.44 C ATOM 1030 CG GLN A 65 -1.254 6.477 9.466 1.00 0.55 C ATOM 1031 CD GLN A 65 0.214 6.795 9.767 1.00 0.50 C ATOM 1032 OE1 GLN A 65 0.511 7.751 10.456 1.00 0.66 O ATOM 1033 NE2 GLN A 65 1.151 6.029 9.276 1.00 0.60 N ATOM 0 H GLN A 65 0.632 6.128 6.442 1.00 0.35 H new ATOM 0 HA GLN A 65 -1.440 5.467 7.154 1.00 0.39 H new ATOM 0 HB2 GLN A 65 -1.232 8.269 8.256 1.00 0.44 H new ATOM 0 HB3 GLN A 65 -2.795 7.480 8.328 1.00 0.44 H new ATOM 0 HG2 GLN A 65 -1.871 6.705 10.335 1.00 0.55 H new ATOM 0 HG3 GLN A 65 -1.371 5.413 9.263 1.00 0.55 H new ATOM 0 HE21 GLN A 65 0.903 5.226 8.698 1.00 0.60 H new ATOM 0 HE22 GLN A 65 2.131 6.233 9.471 1.00 0.60 H new ATOM 1042 N THR A 66 -2.061 6.766 4.620 1.00 0.34 N ATOM 1043 CA THR A 66 -3.019 7.078 3.511 1.00 0.33 C ATOM 1044 C THR A 66 -3.889 5.845 3.221 1.00 0.31 C ATOM 1045 O THR A 66 -3.553 4.733 3.594 1.00 0.33 O ATOM 1046 CB THR A 66 -2.238 7.485 2.249 1.00 0.36 C ATOM 1047 OG1 THR A 66 -3.144 7.958 1.261 1.00 0.43 O ATOM 1048 CG2 THR A 66 -1.464 6.284 1.695 1.00 0.37 C ATOM 0 H THR A 66 -1.134 6.466 4.318 1.00 0.34 H new ATOM 0 HA THR A 66 -3.663 7.905 3.809 1.00 0.33 H new ATOM 0 HB THR A 66 -1.533 8.274 2.510 1.00 0.36 H new ATOM 0 HG1 THR A 66 -2.668 8.082 0.413 1.00 0.43 H new ATOM 0 HG21 THR A 66 -0.916 6.585 0.802 1.00 0.37 H new ATOM 0 HG22 THR A 66 -0.762 5.925 2.448 1.00 0.37 H new ATOM 0 HG23 THR A 66 -2.163 5.487 1.440 1.00 0.37 H new ATOM 1056 N ASN A 67 -5.006 6.037 2.559 1.00 0.30 N ATOM 1057 CA ASN A 67 -5.904 4.886 2.244 1.00 0.30 C ATOM 1058 C ASN A 67 -5.652 4.414 0.808 1.00 0.27 C ATOM 1059 O ASN A 67 -5.817 5.161 -0.143 1.00 0.36 O ATOM 1060 CB ASN A 67 -7.365 5.319 2.398 1.00 0.37 C ATOM 1061 CG ASN A 67 -8.259 4.080 2.494 1.00 0.53 C ATOM 1062 OD1 ASN A 67 -8.851 3.666 1.516 1.00 0.80 O ATOM 1063 ND2 ASN A 67 -8.384 3.467 3.641 1.00 0.74 N ATOM 0 H ASN A 67 -5.333 6.943 2.224 1.00 0.30 H new ATOM 0 HA ASN A 67 -5.697 4.066 2.932 1.00 0.30 H new ATOM 0 HB2 ASN A 67 -7.481 5.934 3.291 1.00 0.37 H new ATOM 0 HB3 ASN A 67 -7.665 5.932 1.548 1.00 0.37 H new ATOM 0 HD21 ASN A 67 -8.978 2.641 3.716 1.00 0.74 H new ATOM 0 HD22 ASN A 67 -7.887 3.814 4.462 1.00 0.74 H new ATOM 1070 N LEU A 68 -5.252 3.176 0.653 1.00 0.27 N ATOM 1071 CA LEU A 68 -4.979 2.621 -0.707 1.00 0.28 C ATOM 1072 C LEU A 68 -5.955 1.476 -1.001 1.00 0.28 C ATOM 1073 O LEU A 68 -6.399 0.777 -0.107 1.00 0.37 O ATOM 1074 CB LEU A 68 -3.543 2.090 -0.764 1.00 0.34 C ATOM 1075 CG LEU A 68 -2.609 3.180 -1.297 1.00 0.50 C ATOM 1076 CD1 LEU A 68 -1.326 3.210 -0.461 1.00 0.79 C ATOM 1077 CD2 LEU A 68 -2.260 2.883 -2.759 1.00 0.80 C ATOM 0 H LEU A 68 -5.102 2.520 1.420 1.00 0.27 H new ATOM 0 HA LEU A 68 -5.108 3.408 -1.450 1.00 0.28 H new ATOM 0 HB2 LEU A 68 -3.222 1.776 0.229 1.00 0.34 H new ATOM 0 HB3 LEU A 68 -3.496 1.211 -1.407 1.00 0.34 H new ATOM 0 HG LEU A 68 -3.106 4.148 -1.231 1.00 0.50 H new ATOM 0 HD11 LEU A 68 -0.662 3.986 -0.841 1.00 0.79 H new ATOM 0 HD12 LEU A 68 -1.574 3.422 0.579 1.00 0.79 H new ATOM 0 HD13 LEU A 68 -0.827 2.243 -0.525 1.00 0.79 H new ATOM 0 HD21 LEU A 68 -1.595 3.659 -3.139 1.00 0.80 H new ATOM 0 HD22 LEU A 68 -1.763 1.915 -2.825 1.00 0.80 H new ATOM 0 HD23 LEU A 68 -3.173 2.864 -3.354 1.00 0.80 H new ATOM 1089 N GLU A 69 -6.284 1.283 -2.254 1.00 0.28 N ATOM 1090 CA GLU A 69 -7.226 0.190 -2.635 1.00 0.31 C ATOM 1091 C GLU A 69 -6.438 -0.951 -3.288 1.00 0.31 C ATOM 1092 O GLU A 69 -5.492 -0.721 -4.018 1.00 0.42 O ATOM 1093 CB GLU A 69 -8.263 0.730 -3.623 1.00 0.38 C ATOM 1094 CG GLU A 69 -9.239 1.660 -2.891 1.00 0.50 C ATOM 1095 CD GLU A 69 -8.754 3.112 -2.995 1.00 0.63 C ATOM 1096 OE1 GLU A 69 -8.934 3.704 -4.048 1.00 0.77 O ATOM 1097 OE2 GLU A 69 -8.212 3.607 -2.019 1.00 0.80 O ATOM 0 H GLU A 69 -5.937 1.841 -3.034 1.00 0.28 H new ATOM 0 HA GLU A 69 -7.736 -0.181 -1.746 1.00 0.31 H new ATOM 0 HB2 GLU A 69 -7.765 1.270 -4.428 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -8.807 -0.096 -4.082 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -10.236 1.568 -3.323 1.00 0.50 H new ATOM 0 HG3 GLU A 69 -9.317 1.368 -1.844 1.00 0.50 H new ATOM 1104 N LEU A 70 -6.825 -2.175 -3.028 1.00 0.25 N ATOM 1105 CA LEU A 70 -6.110 -3.340 -3.624 1.00 0.26 C ATOM 1106 C LEU A 70 -7.090 -4.154 -4.471 1.00 0.27 C ATOM 1107 O LEU A 70 -8.179 -4.484 -4.037 1.00 0.40 O ATOM 1108 CB LEU A 70 -5.534 -4.214 -2.503 1.00 0.31 C ATOM 1109 CG LEU A 70 -4.695 -5.356 -3.095 1.00 0.35 C ATOM 1110 CD1 LEU A 70 -3.574 -4.788 -3.975 1.00 0.42 C ATOM 1111 CD2 LEU A 70 -4.080 -6.173 -1.956 1.00 0.41 C ATOM 0 H LEU A 70 -7.611 -2.416 -2.424 1.00 0.25 H new ATOM 0 HA LEU A 70 -5.294 -2.989 -4.256 1.00 0.26 H new ATOM 0 HB2 LEU A 70 -4.918 -3.607 -1.840 1.00 0.31 H new ATOM 0 HB3 LEU A 70 -6.344 -4.624 -1.900 1.00 0.31 H new ATOM 0 HG LEU A 70 -5.337 -5.992 -3.704 1.00 0.35 H new ATOM 0 HD11 LEU A 70 -2.986 -5.607 -4.389 1.00 0.42 H new ATOM 0 HD12 LEU A 70 -4.009 -4.206 -4.788 1.00 0.42 H new ATOM 0 HD13 LEU A 70 -2.930 -4.146 -3.374 1.00 0.42 H new ATOM 0 HD21 LEU A 70 -3.483 -6.985 -2.372 1.00 0.41 H new ATOM 0 HD22 LEU A 70 -3.444 -5.529 -1.349 1.00 0.41 H new ATOM 0 HD23 LEU A 70 -4.874 -6.587 -1.335 1.00 0.41 H new ATOM 1123 N TYR A 71 -6.706 -4.471 -5.680 1.00 0.27 N ATOM 1124 CA TYR A 71 -7.597 -5.259 -6.579 1.00 0.29 C ATOM 1125 C TYR A 71 -6.771 -6.331 -7.294 1.00 0.31 C ATOM 1126 O TYR A 71 -5.625 -6.113 -7.639 1.00 0.45 O ATOM 1127 CB TYR A 71 -8.233 -4.317 -7.605 1.00 0.33 C ATOM 1128 CG TYR A 71 -9.381 -3.571 -6.963 1.00 0.39 C ATOM 1129 CD1 TYR A 71 -10.626 -4.195 -6.816 1.00 0.64 C ATOM 1130 CD2 TYR A 71 -9.200 -2.257 -6.515 1.00 0.61 C ATOM 1131 CE1 TYR A 71 -11.688 -3.505 -6.220 1.00 0.82 C ATOM 1132 CE2 TYR A 71 -10.262 -1.567 -5.920 1.00 0.74 C ATOM 1133 CZ TYR A 71 -11.507 -2.191 -5.772 1.00 0.77 C ATOM 1134 OH TYR A 71 -12.554 -1.512 -5.184 1.00 1.00 O ATOM 0 H TYR A 71 -5.806 -4.215 -6.085 1.00 0.27 H new ATOM 0 HA TYR A 71 -8.383 -5.741 -5.998 1.00 0.29 H new ATOM 0 HB2 TYR A 71 -7.490 -3.612 -7.976 1.00 0.33 H new ATOM 0 HB3 TYR A 71 -8.590 -4.885 -8.464 1.00 0.33 H new ATOM 0 HD1 TYR A 71 -10.767 -5.208 -7.162 1.00 0.64 H new ATOM 0 HD2 TYR A 71 -8.240 -1.776 -6.629 1.00 0.61 H new ATOM 0 HE1 TYR A 71 -12.648 -3.987 -6.106 1.00 0.82 H new ATOM 0 HE2 TYR A 71 -10.122 -0.553 -5.575 1.00 0.74 H new ATOM 0 HH TYR A 71 -12.259 -0.613 -4.930 1.00 1.00 H new ATOM 1144 N TYR A 72 -7.338 -7.493 -7.509 1.00 0.30 N ATOM 1145 CA TYR A 72 -6.578 -8.586 -8.190 1.00 0.36 C ATOM 1146 C TYR A 72 -7.062 -8.739 -9.634 1.00 0.41 C ATOM 1147 O TYR A 72 -8.241 -8.916 -9.891 1.00 0.51 O ATOM 1148 CB TYR A 72 -6.782 -9.903 -7.434 1.00 0.42 C ATOM 1149 CG TYR A 72 -6.355 -9.734 -5.993 1.00 0.38 C ATOM 1150 CD1 TYR A 72 -5.119 -9.146 -5.689 1.00 0.45 C ATOM 1151 CD2 TYR A 72 -7.197 -10.163 -4.961 1.00 0.47 C ATOM 1152 CE1 TYR A 72 -4.729 -8.987 -4.354 1.00 0.50 C ATOM 1153 CE2 TYR A 72 -6.807 -10.004 -3.627 1.00 0.49 C ATOM 1154 CZ TYR A 72 -5.573 -9.417 -3.323 1.00 0.46 C ATOM 1155 OH TYR A 72 -5.190 -9.260 -2.006 1.00 0.55 O ATOM 0 H TYR A 72 -8.293 -7.731 -7.242 1.00 0.30 H new ATOM 0 HA TYR A 72 -5.518 -8.333 -8.196 1.00 0.36 H new ATOM 0 HB2 TYR A 72 -7.829 -10.202 -7.481 1.00 0.42 H new ATOM 0 HB3 TYR A 72 -6.203 -10.697 -7.905 1.00 0.42 H new ATOM 0 HD1 TYR A 72 -4.468 -8.816 -6.485 1.00 0.45 H new ATOM 0 HD2 TYR A 72 -8.149 -10.617 -5.195 1.00 0.47 H new ATOM 0 HE1 TYR A 72 -3.778 -8.533 -4.119 1.00 0.50 H new ATOM 0 HE2 TYR A 72 -7.458 -10.334 -2.831 1.00 0.49 H new ATOM 0 HH TYR A 72 -5.787 -8.619 -1.566 1.00 0.55 H new ATOM 1165 N LEU A 73 -6.151 -8.675 -10.575 1.00 0.47 N ATOM 1166 CA LEU A 73 -6.530 -8.819 -12.014 1.00 0.57 C ATOM 1167 C LEU A 73 -6.050 -10.179 -12.542 1.00 1.17 C ATOM 1168 O LEU A 73 -6.867 -10.895 -13.097 1.00 1.47 O ATOM 1169 CB LEU A 73 -5.889 -7.688 -12.827 1.00 0.71 C ATOM 1170 CG LEU A 73 -6.630 -7.531 -14.157 1.00 0.70 C ATOM 1171 CD1 LEU A 73 -7.206 -6.116 -14.259 1.00 1.26 C ATOM 1172 CD2 LEU A 73 -5.660 -7.777 -15.317 1.00 1.17 C ATOM 1173 OXT LEU A 73 -4.876 -10.484 -12.383 1.00 1.54 O ATOM 0 H LEU A 73 -5.156 -8.528 -10.406 1.00 0.47 H new ATOM 0 HA LEU A 73 -7.614 -8.762 -12.112 1.00 0.57 H new ATOM 0 HB2 LEU A 73 -5.928 -6.755 -12.265 1.00 0.71 H new ATOM 0 HB3 LEU A 73 -4.837 -7.908 -13.009 1.00 0.71 H new ATOM 0 HG LEU A 73 -7.443 -8.256 -14.207 1.00 0.70 H new ATOM 0 HD11 LEU A 73 -7.733 -6.005 -15.206 1.00 1.26 H new ATOM 0 HD12 LEU A 73 -7.899 -5.945 -13.436 1.00 1.26 H new ATOM 0 HD13 LEU A 73 -6.396 -5.389 -14.208 1.00 1.26 H new ATOM 0 HD21 LEU A 73 -6.189 -7.665 -16.264 1.00 1.17 H new ATOM 0 HD22 LEU A 73 -4.845 -7.055 -15.269 1.00 1.17 H new ATOM 0 HD23 LEU A 73 -5.255 -8.786 -15.245 1.00 1.17 H new