USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 679 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 8 GLN : amide:sc= 0.727 K(o=1.4,f=0.18) USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0.649 USER MOD Set 2.1: A 5 LYS NZ :NH3+ 140:sc= 0.149 (180deg=-0.253) USER MOD Set 2.2: A 7 ASN : amide:sc= 0.282! C(o=0.43!,f=-7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.276 (180deg=-0.289) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.265 K(o=-0.26,f=-1.6) USER MOD Single : A 13 TYR OH : rot -139:sc= 0.357 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 18 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.3!) USER MOD Single : A 19 THR OG1 : rot -19:sc= 0.837 USER MOD Single : A 20 SER OG : rot 48:sc= 0.0504 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0126 K(o=-0.013,f=-0.61) USER MOD Single : A 35 TYR OH : rot 53:sc= 0.999 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 39 MET CE :methyl -135:sc= 0 (180deg=-2.04!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -144:sc= -2.1! (180deg=-4.58!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 6:sc= -1.79! USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= -0.0286 (180deg=-0.148) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.153 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -102:sc= -0.853 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.00623 K(o=0.0062,f=-1) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-0.00324 K(o=-0.0032,f=-0.9) USER MOD Single : A 69 TYR OH : rot 33:sc= 0.338 USER MOD Single : A 70 GLN : amide:sc= 0.463 K(o=0.46,f=-1.7) USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0196) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0.62 K(o=0.62,f=-3.2!) USER MOD Single : A 83 HIS : no HD1:sc= 1.16 K(o=1.2,f=-4.9!) USER MOD Single : A 84 HIS : no HD1:sc= 1.21 K(o=1.2,f=-5.5!) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.402 15.930 6.345 1.00 0.00 N ATOM 2 CA MET A 1 22.361 16.599 5.531 1.00 0.00 C ATOM 3 C MET A 1 21.295 15.597 5.107 1.00 0.00 C ATOM 4 O MET A 1 20.697 15.731 4.041 1.00 0.00 O ATOM 5 CB MET A 1 22.986 17.238 4.287 1.00 0.00 C ATOM 6 CG MET A 1 23.912 18.403 4.586 1.00 0.00 C ATOM 7 SD MET A 1 24.700 19.055 3.102 1.00 0.00 S ATOM 8 CE MET A 1 25.660 20.400 3.791 1.00 0.00 C ATOM 0 H1 MET A 1 24.157 16.609 6.570 1.00 0.00 H new ATOM 0 H2 MET A 1 22.979 15.577 7.227 1.00 0.00 H new ATOM 0 H3 MET A 1 23.802 15.133 5.810 1.00 0.00 H new ATOM 0 HA MET A 1 21.899 17.377 6.139 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.543 16.476 3.742 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.188 17.582 3.629 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.346 19.198 5.072 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.680 18.082 5.290 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.206 20.903 2.993 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.993 21.111 4.278 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.366 20.006 4.522 1.00 0.00 H new ATOM 20 N ASP A 2 21.034 14.612 5.955 1.00 0.00 N ATOM 21 CA ASP A 2 20.113 13.536 5.616 1.00 0.00 C ATOM 22 C ASP A 2 18.752 13.791 6.255 1.00 0.00 C ATOM 23 O ASP A 2 18.378 13.137 7.231 1.00 0.00 O ATOM 24 CB ASP A 2 20.665 12.185 6.087 1.00 0.00 C ATOM 25 CG ASP A 2 22.136 11.998 5.757 1.00 0.00 C ATOM 26 OD1 ASP A 2 22.495 12.004 4.563 1.00 0.00 O ATOM 27 OD2 ASP A 2 22.946 11.858 6.699 1.00 0.00 O ATOM 0 H ASP A 2 21.448 14.536 6.884 1.00 0.00 H new ATOM 0 HA ASP A 2 20.000 13.508 4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 2 20.526 12.098 7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.090 11.383 5.625 1.00 0.00 H new ATOM 32 N PHE A 3 18.030 14.768 5.721 1.00 0.00 N ATOM 33 CA PHE A 3 16.736 15.157 6.272 1.00 0.00 C ATOM 34 C PHE A 3 15.920 15.960 5.262 1.00 0.00 C ATOM 35 O PHE A 3 14.848 16.468 5.586 1.00 0.00 O ATOM 36 CB PHE A 3 16.925 15.977 7.560 1.00 0.00 C ATOM 37 CG PHE A 3 17.799 17.194 7.394 1.00 0.00 C ATOM 38 CD1 PHE A 3 17.268 18.393 6.940 1.00 0.00 C ATOM 39 CD2 PHE A 3 19.150 17.137 7.693 1.00 0.00 C ATOM 40 CE1 PHE A 3 18.071 19.507 6.788 1.00 0.00 C ATOM 41 CE2 PHE A 3 19.956 18.248 7.543 1.00 0.00 C ATOM 42 CZ PHE A 3 19.416 19.435 7.089 1.00 0.00 C ATOM 0 H PHE A 3 18.319 15.307 4.905 1.00 0.00 H new ATOM 0 HA PHE A 3 16.188 14.244 6.505 1.00 0.00 H new ATOM 0 HB2 PHE A 3 15.947 16.293 7.923 1.00 0.00 H new ATOM 0 HB3 PHE A 3 17.358 15.334 8.327 1.00 0.00 H new ATOM 0 HD1 PHE A 3 16.216 18.456 6.703 1.00 0.00 H new ATOM 0 HD2 PHE A 3 19.579 16.212 8.048 1.00 0.00 H new ATOM 0 HE1 PHE A 3 17.646 20.434 6.434 1.00 0.00 H new ATOM 0 HE2 PHE A 3 21.008 18.189 7.781 1.00 0.00 H new ATOM 0 HZ PHE A 3 20.045 20.305 6.970 1.00 0.00 H new ATOM 52 N GLY A 4 16.422 16.061 4.039 1.00 0.00 N ATOM 53 CA GLY A 4 15.753 16.859 3.032 1.00 0.00 C ATOM 54 C GLY A 4 15.202 16.013 1.906 1.00 0.00 C ATOM 55 O GLY A 4 14.721 16.535 0.900 1.00 0.00 O ATOM 0 H GLY A 4 17.279 15.605 3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.940 17.418 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.452 17.590 2.626 1.00 0.00 H new ATOM 59 N LYS A 5 15.278 14.703 2.069 1.00 0.00 N ATOM 60 CA LYS A 5 14.761 13.781 1.074 1.00 0.00 C ATOM 61 C LYS A 5 13.650 12.929 1.676 1.00 0.00 C ATOM 62 O LYS A 5 13.913 11.981 2.419 1.00 0.00 O ATOM 63 CB LYS A 5 15.889 12.900 0.526 1.00 0.00 C ATOM 64 CG LYS A 5 15.426 11.877 -0.497 1.00 0.00 C ATOM 65 CD LYS A 5 16.603 11.169 -1.146 1.00 0.00 C ATOM 66 CE LYS A 5 16.141 10.039 -2.051 1.00 0.00 C ATOM 67 NZ LYS A 5 15.511 8.936 -1.279 1.00 0.00 N ATOM 0 H LYS A 5 15.695 14.253 2.884 1.00 0.00 H new ATOM 0 HA LYS A 5 14.344 14.353 0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.647 13.538 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.367 12.379 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.780 11.144 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.829 12.371 -1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.186 11.885 -1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.262 10.772 -0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.429 10.425 -2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.992 9.651 -2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.683 8.578 -1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.198 8.166 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.210 9.291 -0.349 1.00 0.00 H new ATOM 81 N PRO A 6 12.391 13.284 1.387 1.00 0.00 N ATOM 82 CA PRO A 6 11.228 12.561 1.886 1.00 0.00 C ATOM 83 C PRO A 6 11.076 11.205 1.217 1.00 0.00 C ATOM 84 O PRO A 6 10.709 11.113 0.043 1.00 0.00 O ATOM 85 CB PRO A 6 10.037 13.467 1.531 1.00 0.00 C ATOM 86 CG PRO A 6 10.635 14.758 1.079 1.00 0.00 C ATOM 87 CD PRO A 6 11.998 14.422 0.553 1.00 0.00 C ATOM 0 HA PRO A 6 11.309 12.358 2.954 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.426 13.022 0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 6 9.388 13.617 2.394 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.022 15.222 0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 6 10.699 15.468 1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.971 14.159 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 6 12.690 15.258 0.656 1.00 0.00 H new ATOM 95 N ASN A 7 11.388 10.157 1.959 1.00 0.00 N ATOM 96 CA ASN A 7 11.238 8.802 1.461 1.00 0.00 C ATOM 97 C ASN A 7 9.778 8.395 1.537 1.00 0.00 C ATOM 98 O ASN A 7 9.140 8.536 2.578 1.00 0.00 O ATOM 99 CB ASN A 7 12.114 7.829 2.255 1.00 0.00 C ATOM 100 CG ASN A 7 13.596 8.105 2.074 1.00 0.00 C ATOM 101 OD1 ASN A 7 14.028 8.578 1.021 1.00 0.00 O ATOM 102 ND2 ASN A 7 14.385 7.810 3.094 1.00 0.00 N ATOM 0 H ASN A 7 11.748 10.219 2.911 1.00 0.00 H new ATOM 0 HA ASN A 7 11.565 8.768 0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.861 7.897 3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.896 6.808 1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 7 15.390 7.973 3.025 1.00 0.00 H new ATOM 0 HD22 ASN A 7 13.989 7.420 3.949 1.00 0.00 H new ATOM 109 N GLN A 8 9.243 7.924 0.423 1.00 0.00 N ATOM 110 CA GLN A 8 7.839 7.562 0.353 1.00 0.00 C ATOM 111 C GLN A 8 7.659 6.055 0.332 1.00 0.00 C ATOM 112 O GLN A 8 8.338 5.343 -0.410 1.00 0.00 O ATOM 113 CB GLN A 8 7.177 8.171 -0.886 1.00 0.00 C ATOM 114 CG GLN A 8 7.039 9.683 -0.830 1.00 0.00 C ATOM 115 CD GLN A 8 6.352 10.250 -2.057 1.00 0.00 C ATOM 116 OE1 GLN A 8 6.469 9.714 -3.159 1.00 0.00 O ATOM 117 NE2 GLN A 8 5.616 11.333 -1.872 1.00 0.00 N ATOM 0 H GLN A 8 9.760 7.784 -0.445 1.00 0.00 H new ATOM 0 HA GLN A 8 7.359 7.961 1.247 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.760 7.902 -1.767 1.00 0.00 H new ATOM 0 HB3 GLN A 8 6.188 7.730 -1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.473 9.960 0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.028 10.131 -0.732 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.544 11.748 -0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.120 11.753 -2.658 1.00 0.00 H new ATOM 126 N VAL A 9 6.748 5.577 1.159 1.00 0.00 N ATOM 127 CA VAL A 9 6.330 4.193 1.114 1.00 0.00 C ATOM 128 C VAL A 9 5.204 4.057 0.101 1.00 0.00 C ATOM 129 O VAL A 9 4.226 4.804 0.139 1.00 0.00 O ATOM 130 CB VAL A 9 5.859 3.679 2.494 1.00 0.00 C ATOM 131 CG1 VAL A 9 5.295 2.272 2.387 1.00 0.00 C ATOM 132 CG2 VAL A 9 7.004 3.705 3.492 1.00 0.00 C ATOM 0 H VAL A 9 6.281 6.134 1.875 1.00 0.00 H new ATOM 0 HA VAL A 9 7.187 3.586 0.822 1.00 0.00 H new ATOM 0 HB VAL A 9 5.069 4.342 2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.971 1.934 3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.445 2.272 1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.064 1.599 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.654 3.340 4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.813 3.067 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.368 4.726 3.601 1.00 0.00 H new ATOM 142 N THR A 10 5.355 3.125 -0.816 1.00 0.00 N ATOM 143 CA THR A 10 4.382 2.939 -1.866 1.00 0.00 C ATOM 144 C THR A 10 3.307 1.956 -1.419 1.00 0.00 C ATOM 145 O THR A 10 3.581 0.778 -1.181 1.00 0.00 O ATOM 146 CB THR A 10 5.062 2.438 -3.151 1.00 0.00 C ATOM 147 OG1 THR A 10 6.215 3.251 -3.428 1.00 0.00 O ATOM 148 CG2 THR A 10 4.104 2.501 -4.326 1.00 0.00 C ATOM 0 H THR A 10 6.147 2.483 -0.853 1.00 0.00 H new ATOM 0 HA THR A 10 3.913 3.900 -2.077 1.00 0.00 H new ATOM 0 HB THR A 10 5.364 1.401 -3.005 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.651 2.932 -4.246 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.606 2.142 -5.224 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.235 1.875 -4.121 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.782 3.531 -4.478 1.00 0.00 H new ATOM 156 N VAL A 11 2.093 2.456 -1.262 1.00 0.00 N ATOM 157 CA VAL A 11 0.977 1.629 -0.841 1.00 0.00 C ATOM 158 C VAL A 11 0.310 0.993 -2.053 1.00 0.00 C ATOM 159 O VAL A 11 -0.338 1.679 -2.847 1.00 0.00 O ATOM 160 CB VAL A 11 -0.062 2.445 -0.044 1.00 0.00 C ATOM 161 CG1 VAL A 11 -1.172 1.546 0.471 1.00 0.00 C ATOM 162 CG2 VAL A 11 0.602 3.192 1.101 1.00 0.00 C ATOM 0 H VAL A 11 1.855 3.435 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 11 1.369 0.849 -0.189 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.505 3.180 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.893 2.142 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.672 1.067 -0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.749 0.783 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.150 3.760 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.079 2.478 1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.354 3.874 0.703 1.00 0.00 H new ATOM 172 N ASN A 12 0.485 -0.311 -2.192 1.00 0.00 N ATOM 173 CA ASN A 12 -0.043 -1.038 -3.340 1.00 0.00 C ATOM 174 C ASN A 12 -1.357 -1.721 -2.996 1.00 0.00 C ATOM 175 O ASN A 12 -1.403 -2.644 -2.180 1.00 0.00 O ATOM 176 CB ASN A 12 0.976 -2.073 -3.832 1.00 0.00 C ATOM 177 CG ASN A 12 2.039 -1.476 -4.738 1.00 0.00 C ATOM 178 OD1 ASN A 12 2.344 -0.284 -4.669 1.00 0.00 O ATOM 179 ND2 ASN A 12 2.627 -2.308 -5.584 1.00 0.00 N ATOM 0 H ASN A 12 0.990 -0.892 -1.523 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.230 -0.318 -4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.459 -2.537 -2.972 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.452 -2.864 -4.368 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.359 -1.968 -6.207 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.348 -3.289 -5.612 1.00 0.00 H new ATOM 186 N TYR A 13 -2.427 -1.248 -3.615 1.00 0.00 N ATOM 187 CA TYR A 13 -3.745 -1.838 -3.436 1.00 0.00 C ATOM 188 C TYR A 13 -3.927 -2.987 -4.423 1.00 0.00 C ATOM 189 O TYR A 13 -4.137 -2.765 -5.620 1.00 0.00 O ATOM 190 CB TYR A 13 -4.830 -0.774 -3.629 1.00 0.00 C ATOM 191 CG TYR A 13 -4.754 0.359 -2.623 1.00 0.00 C ATOM 192 CD1 TYR A 13 -3.893 1.434 -2.813 1.00 0.00 C ATOM 193 CD2 TYR A 13 -5.534 0.346 -1.477 1.00 0.00 C ATOM 194 CE1 TYR A 13 -3.816 2.461 -1.889 1.00 0.00 C ATOM 195 CE2 TYR A 13 -5.462 1.365 -0.548 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.603 2.420 -0.758 1.00 0.00 C ATOM 197 OH TYR A 13 -4.527 3.437 0.168 1.00 0.00 O ATOM 0 H TYR A 13 -2.408 -0.451 -4.251 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.833 -2.230 -2.423 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.748 -0.362 -4.635 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.809 -1.248 -3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.274 1.468 -3.697 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.212 -0.478 -1.307 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.143 3.290 -2.053 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.077 1.334 0.339 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.557 3.059 1.072 1.00 0.00 H new ATOM 207 N LEU A 14 -3.824 -4.209 -3.923 1.00 0.00 N ATOM 208 CA LEU A 14 -3.807 -5.385 -4.776 1.00 0.00 C ATOM 209 C LEU A 14 -5.154 -6.098 -4.791 1.00 0.00 C ATOM 210 O LEU A 14 -6.125 -5.650 -4.181 1.00 0.00 O ATOM 211 CB LEU A 14 -2.714 -6.349 -4.317 1.00 0.00 C ATOM 212 CG LEU A 14 -1.290 -5.795 -4.387 1.00 0.00 C ATOM 213 CD1 LEU A 14 -0.297 -6.825 -3.877 1.00 0.00 C ATOM 214 CD2 LEU A 14 -0.945 -5.381 -5.809 1.00 0.00 C ATOM 0 H LEU A 14 -3.751 -4.411 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.598 -5.050 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.922 -6.646 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.767 -7.251 -4.927 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.232 -4.912 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.712 -6.416 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.531 -7.074 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.359 -7.724 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.072 -4.990 -5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.019 -6.246 -6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.640 -4.610 -6.142 1.00 0.00 H new ATOM 226 N ASP A 15 -5.174 -7.233 -5.472 1.00 0.00 N ATOM 227 CA ASP A 15 -6.393 -7.986 -5.723 1.00 0.00 C ATOM 228 C ASP A 15 -6.221 -9.413 -5.213 1.00 0.00 C ATOM 229 O ASP A 15 -5.122 -9.800 -4.819 1.00 0.00 O ATOM 230 CB ASP A 15 -6.677 -7.981 -7.236 1.00 0.00 C ATOM 231 CG ASP A 15 -7.966 -8.678 -7.632 1.00 0.00 C ATOM 232 OD1 ASP A 15 -7.934 -9.904 -7.873 1.00 0.00 O ATOM 233 OD2 ASP A 15 -9.007 -7.998 -7.734 1.00 0.00 O ATOM 0 H ASP A 15 -4.338 -7.661 -5.869 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.234 -7.531 -5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.714 -6.949 -7.583 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.845 -8.461 -7.752 1.00 0.00 H new ATOM 238 N GLU A 16 -7.298 -10.185 -5.228 1.00 0.00 N ATOM 239 CA GLU A 16 -7.258 -11.594 -4.848 1.00 0.00 C ATOM 240 C GLU A 16 -6.321 -12.355 -5.782 1.00 0.00 C ATOM 241 O GLU A 16 -5.545 -13.211 -5.351 1.00 0.00 O ATOM 242 CB GLU A 16 -8.661 -12.202 -4.918 1.00 0.00 C ATOM 243 CG GLU A 16 -8.713 -13.656 -4.478 1.00 0.00 C ATOM 244 CD GLU A 16 -10.005 -14.344 -4.869 1.00 0.00 C ATOM 245 OE1 GLU A 16 -10.980 -14.280 -4.091 1.00 0.00 O ATOM 246 OE2 GLU A 16 -10.040 -14.974 -5.951 1.00 0.00 O ATOM 0 H GLU A 16 -8.223 -9.855 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.890 -11.671 -3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.334 -11.617 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.031 -12.126 -5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.873 -14.194 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.593 -13.708 -3.396 1.00 0.00 H new ATOM 253 N ASN A 17 -6.382 -12.011 -7.064 1.00 0.00 N ATOM 254 CA ASN A 17 -5.512 -12.612 -8.070 1.00 0.00 C ATOM 255 C ASN A 17 -4.166 -11.896 -8.057 1.00 0.00 C ATOM 256 O ASN A 17 -3.279 -12.167 -8.869 1.00 0.00 O ATOM 257 CB ASN A 17 -6.161 -12.511 -9.453 1.00 0.00 C ATOM 258 CG ASN A 17 -5.660 -13.566 -10.420 1.00 0.00 C ATOM 259 OD1 ASN A 17 -4.674 -13.366 -11.132 1.00 0.00 O ATOM 260 ND2 ASN A 17 -6.339 -14.703 -10.451 1.00 0.00 N ATOM 0 H ASN A 17 -7.029 -11.314 -7.433 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.359 -13.667 -7.841 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.242 -12.605 -9.349 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.966 -11.523 -9.869 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.051 -15.452 -11.080 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.150 -14.829 -9.845 1.00 0.00 H new ATOM 267 N ASN A 18 -4.053 -10.974 -7.106 1.00 0.00 N ATOM 268 CA ASN A 18 -2.854 -10.183 -6.868 1.00 0.00 C ATOM 269 C ASN A 18 -2.504 -9.325 -8.079 1.00 0.00 C ATOM 270 O ASN A 18 -1.717 -9.718 -8.939 1.00 0.00 O ATOM 271 CB ASN A 18 -1.673 -11.073 -6.459 1.00 0.00 C ATOM 272 CG ASN A 18 -0.469 -10.275 -5.987 1.00 0.00 C ATOM 273 OD1 ASN A 18 -0.378 -9.908 -4.819 1.00 0.00 O ATOM 274 ND2 ASN A 18 0.474 -10.026 -6.881 1.00 0.00 N ATOM 0 H ASN A 18 -4.814 -10.752 -6.464 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.065 -9.509 -6.038 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.991 -11.747 -5.664 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.382 -11.694 -7.306 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.312 -9.513 -6.609 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.363 -10.347 -7.843 1.00 0.00 H new ATOM 281 N THR A 19 -3.145 -8.171 -8.160 1.00 0.00 N ATOM 282 CA THR A 19 -2.886 -7.195 -9.206 1.00 0.00 C ATOM 283 C THR A 19 -3.303 -5.817 -8.700 1.00 0.00 C ATOM 284 O THR A 19 -4.267 -5.708 -7.945 1.00 0.00 O ATOM 285 CB THR A 19 -3.664 -7.540 -10.500 1.00 0.00 C ATOM 286 OG1 THR A 19 -3.367 -8.884 -10.901 1.00 0.00 O ATOM 287 CG2 THR A 19 -3.307 -6.584 -11.630 1.00 0.00 C ATOM 0 H THR A 19 -3.865 -7.883 -7.497 1.00 0.00 H new ATOM 0 HA THR A 19 -1.823 -7.205 -9.446 1.00 0.00 H new ATOM 0 HB THR A 19 -4.729 -7.442 -10.290 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.537 -9.178 -10.471 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.869 -6.852 -12.525 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.557 -5.564 -11.336 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.239 -6.650 -11.839 1.00 0.00 H new ATOM 295 N SER A 20 -2.566 -4.779 -9.073 1.00 0.00 N ATOM 296 CA SER A 20 -2.882 -3.431 -8.623 1.00 0.00 C ATOM 297 C SER A 20 -4.201 -2.949 -9.228 1.00 0.00 C ATOM 298 O SER A 20 -4.289 -2.652 -10.421 1.00 0.00 O ATOM 299 CB SER A 20 -1.733 -2.478 -8.957 1.00 0.00 C ATOM 300 OG SER A 20 -1.170 -2.778 -10.223 1.00 0.00 O ATOM 0 H SER A 20 -1.750 -4.844 -9.682 1.00 0.00 H new ATOM 0 HA SER A 20 -3.006 -3.445 -7.540 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.096 -1.450 -8.952 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.964 -2.548 -8.188 1.00 0.00 H new ATOM 0 HG SER A 20 -1.887 -2.882 -10.883 1.00 0.00 H new ATOM 306 N ILE A 21 -5.233 -2.911 -8.396 1.00 0.00 N ATOM 307 CA ILE A 21 -6.561 -2.493 -8.828 1.00 0.00 C ATOM 308 C ILE A 21 -6.746 -0.994 -8.638 1.00 0.00 C ATOM 309 O ILE A 21 -7.542 -0.360 -9.331 1.00 0.00 O ATOM 310 CB ILE A 21 -7.662 -3.244 -8.053 1.00 0.00 C ATOM 311 CG1 ILE A 21 -7.426 -3.122 -6.544 1.00 0.00 C ATOM 312 CG2 ILE A 21 -7.708 -4.704 -8.482 1.00 0.00 C ATOM 313 CD1 ILE A 21 -8.478 -3.803 -5.697 1.00 0.00 C ATOM 0 H ILE A 21 -5.175 -3.167 -7.410 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.647 -2.735 -9.887 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.627 -2.792 -8.284 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.451 -3.547 -6.304 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.388 -2.066 -6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.490 -5.222 -7.927 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.921 -4.763 -9.549 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.746 -5.174 -8.278 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.238 -3.670 -4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.453 -3.363 -5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.502 -4.867 -5.932 1.00 0.00 H new ATOM 325 N ALA A 22 -5.999 -0.436 -7.701 1.00 0.00 N ATOM 326 CA ALA A 22 -6.067 0.984 -7.417 1.00 0.00 C ATOM 327 C ALA A 22 -4.678 1.597 -7.505 1.00 0.00 C ATOM 328 O ALA A 22 -3.683 0.926 -7.215 1.00 0.00 O ATOM 329 CB ALA A 22 -6.678 1.222 -6.041 1.00 0.00 C ATOM 0 H ALA A 22 -5.335 -0.950 -7.122 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.706 1.464 -8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.722 2.293 -5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.685 0.806 -6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.064 0.737 -5.282 1.00 0.00 H new ATOM 335 N PRO A 23 -4.589 2.867 -7.934 1.00 0.00 N ATOM 336 CA PRO A 23 -3.314 3.578 -8.048 1.00 0.00 C ATOM 337 C PRO A 23 -2.545 3.595 -6.732 1.00 0.00 C ATOM 338 O PRO A 23 -3.128 3.768 -5.658 1.00 0.00 O ATOM 339 CB PRO A 23 -3.724 4.998 -8.449 1.00 0.00 C ATOM 340 CG PRO A 23 -5.069 4.848 -9.069 1.00 0.00 C ATOM 341 CD PRO A 23 -5.726 3.705 -8.348 1.00 0.00 C ATOM 0 HA PRO A 23 -2.645 3.100 -8.764 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.760 5.658 -7.583 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.012 5.432 -9.151 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.652 5.763 -8.965 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.987 4.642 -10.136 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.305 4.050 -7.491 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.411 3.161 -8.997 1.00 0.00 H new ATOM 349 N SER A 24 -1.237 3.405 -6.830 1.00 0.00 N ATOM 350 CA SER A 24 -0.366 3.362 -5.669 1.00 0.00 C ATOM 351 C SER A 24 -0.441 4.670 -4.881 1.00 0.00 C ATOM 352 O SER A 24 -0.312 5.759 -5.448 1.00 0.00 O ATOM 353 CB SER A 24 1.065 3.105 -6.134 1.00 0.00 C ATOM 354 OG SER A 24 1.094 2.084 -7.121 1.00 0.00 O ATOM 0 H SER A 24 -0.752 3.276 -7.718 1.00 0.00 H new ATOM 0 HA SER A 24 -0.690 2.558 -5.008 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.492 4.022 -6.539 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.683 2.814 -5.284 1.00 0.00 H new ATOM 0 HG SER A 24 2.019 1.934 -7.409 1.00 0.00 H new ATOM 360 N LEU A 25 -0.665 4.562 -3.580 1.00 0.00 N ATOM 361 CA LEU A 25 -0.757 5.737 -2.728 1.00 0.00 C ATOM 362 C LEU A 25 0.619 6.095 -2.179 1.00 0.00 C ATOM 363 O LEU A 25 1.414 5.215 -1.841 1.00 0.00 O ATOM 364 CB LEU A 25 -1.749 5.498 -1.586 1.00 0.00 C ATOM 365 CG LEU A 25 -1.997 6.698 -0.669 1.00 0.00 C ATOM 366 CD1 LEU A 25 -2.551 7.873 -1.456 1.00 0.00 C ATOM 367 CD2 LEU A 25 -2.946 6.317 0.454 1.00 0.00 C ATOM 0 H LEU A 25 -0.786 3.674 -3.092 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.122 6.573 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.702 5.187 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.386 4.668 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.044 6.999 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.719 8.714 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.838 8.163 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.494 7.587 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.113 7.180 1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.896 5.990 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.511 5.507 1.039 1.00 0.00 H new ATOM 379 N TYR A 26 0.894 7.390 -2.100 1.00 0.00 N ATOM 380 CA TYR A 26 2.204 7.874 -1.686 1.00 0.00 C ATOM 381 C TYR A 26 2.218 8.195 -0.200 1.00 0.00 C ATOM 382 O TYR A 26 1.569 9.142 0.250 1.00 0.00 O ATOM 383 CB TYR A 26 2.582 9.125 -2.481 1.00 0.00 C ATOM 384 CG TYR A 26 2.363 8.984 -3.970 1.00 0.00 C ATOM 385 CD1 TYR A 26 3.333 8.420 -4.790 1.00 0.00 C ATOM 386 CD2 TYR A 26 1.179 9.415 -4.554 1.00 0.00 C ATOM 387 CE1 TYR A 26 3.124 8.289 -6.151 1.00 0.00 C ATOM 388 CE2 TYR A 26 0.965 9.287 -5.910 1.00 0.00 C ATOM 389 CZ TYR A 26 1.938 8.726 -6.705 1.00 0.00 C ATOM 390 OH TYR A 26 1.721 8.600 -8.057 1.00 0.00 O ATOM 0 H TYR A 26 0.224 8.127 -2.318 1.00 0.00 H new ATOM 0 HA TYR A 26 2.931 7.086 -1.882 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.997 9.969 -2.114 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.630 9.360 -2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.263 8.079 -4.359 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.413 9.858 -3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.885 7.847 -6.777 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.037 9.626 -6.347 1.00 0.00 H new ATOM 0 HH TYR A 26 0.836 8.956 -8.281 1.00 0.00 H new ATOM 400 N LEU A 27 2.945 7.393 0.557 1.00 0.00 N ATOM 401 CA LEU A 27 3.099 7.620 1.984 1.00 0.00 C ATOM 402 C LEU A 27 4.412 8.352 2.249 1.00 0.00 C ATOM 403 O LEU A 27 5.471 7.736 2.342 1.00 0.00 O ATOM 404 CB LEU A 27 3.056 6.282 2.727 1.00 0.00 C ATOM 405 CG LEU A 27 3.147 6.358 4.251 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.003 7.177 4.822 1.00 0.00 C ATOM 407 CD2 LEU A 27 3.139 4.958 4.838 1.00 0.00 C ATOM 0 H LEU A 27 3.441 6.574 0.205 1.00 0.00 H new ATOM 0 HA LEU A 27 2.280 8.241 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.129 5.772 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.875 5.661 2.365 1.00 0.00 H new ATOM 0 HG LEU A 27 4.081 6.852 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.090 7.216 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.043 8.189 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.054 6.715 4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.204 5.019 5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.216 4.451 4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.992 4.398 4.454 1.00 0.00 H new ATOM 419 N SER A 28 4.338 9.672 2.328 1.00 0.00 N ATOM 420 CA SER A 28 5.522 10.503 2.491 1.00 0.00 C ATOM 421 C SER A 28 6.034 10.475 3.930 1.00 0.00 C ATOM 422 O SER A 28 5.268 10.653 4.881 1.00 0.00 O ATOM 423 CB SER A 28 5.206 11.942 2.079 1.00 0.00 C ATOM 424 OG SER A 28 4.679 11.995 0.762 1.00 0.00 O ATOM 0 H SER A 28 3.463 10.194 2.281 1.00 0.00 H new ATOM 0 HA SER A 28 6.306 10.101 1.849 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.490 12.374 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.111 12.546 2.136 1.00 0.00 H new ATOM 0 HG SER A 28 4.484 12.926 0.525 1.00 0.00 H new ATOM 430 N GLY A 29 7.328 10.237 4.077 1.00 0.00 N ATOM 431 CA GLY A 29 7.956 10.274 5.378 1.00 0.00 C ATOM 432 C GLY A 29 9.382 10.760 5.290 1.00 0.00 C ATOM 433 O GLY A 29 9.813 11.232 4.237 1.00 0.00 O ATOM 0 H GLY A 29 7.960 10.016 3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.388 10.928 6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.936 9.278 5.821 1.00 0.00 H new ATOM 437 N LEU A 30 10.116 10.660 6.379 1.00 0.00 N ATOM 438 CA LEU A 30 11.499 11.098 6.392 1.00 0.00 C ATOM 439 C LEU A 30 12.408 9.963 6.854 1.00 0.00 C ATOM 440 O LEU A 30 11.926 8.901 7.254 1.00 0.00 O ATOM 441 CB LEU A 30 11.656 12.324 7.299 1.00 0.00 C ATOM 442 CG LEU A 30 12.953 13.118 7.108 1.00 0.00 C ATOM 443 CD1 LEU A 30 13.050 13.639 5.683 1.00 0.00 C ATOM 444 CD2 LEU A 30 13.028 14.268 8.099 1.00 0.00 C ATOM 0 H LEU A 30 9.781 10.281 7.265 1.00 0.00 H new ATOM 0 HA LEU A 30 11.791 11.379 5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.812 12.992 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.599 11.997 8.337 1.00 0.00 H new ATOM 0 HG LEU A 30 13.795 12.451 7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.976 14.201 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.042 12.800 4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.201 14.291 5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.956 14.819 7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.180 14.936 7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.002 13.875 9.115 1.00 0.00 H new ATOM 456 N PHE A 31 13.715 10.183 6.778 1.00 0.00 N ATOM 457 CA PHE A 31 14.695 9.196 7.215 1.00 0.00 C ATOM 458 C PHE A 31 14.485 8.836 8.681 1.00 0.00 C ATOM 459 O PHE A 31 14.395 9.718 9.537 1.00 0.00 O ATOM 460 CB PHE A 31 16.118 9.726 6.997 1.00 0.00 C ATOM 461 CG PHE A 31 17.191 8.850 7.593 1.00 0.00 C ATOM 462 CD1 PHE A 31 17.381 7.554 7.141 1.00 0.00 C ATOM 463 CD2 PHE A 31 18.009 9.326 8.606 1.00 0.00 C ATOM 464 CE1 PHE A 31 18.362 6.749 7.689 1.00 0.00 C ATOM 465 CE2 PHE A 31 18.992 8.524 9.157 1.00 0.00 C ATOM 466 CZ PHE A 31 19.170 7.236 8.697 1.00 0.00 C ATOM 0 H PHE A 31 14.123 11.044 6.414 1.00 0.00 H new ATOM 0 HA PHE A 31 14.560 8.294 6.618 1.00 0.00 H new ATOM 0 HB2 PHE A 31 16.298 9.828 5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 31 16.195 10.724 7.429 1.00 0.00 H new ATOM 0 HD1 PHE A 31 16.755 7.168 6.350 1.00 0.00 H new ATOM 0 HD2 PHE A 31 17.877 10.335 8.969 1.00 0.00 H new ATOM 0 HE1 PHE A 31 18.496 5.740 7.329 1.00 0.00 H new ATOM 0 HE2 PHE A 31 19.620 8.906 9.948 1.00 0.00 H new ATOM 0 HZ PHE A 31 19.939 6.610 9.124 1.00 0.00 H new ATOM 476 N ASN A 32 14.392 7.533 8.945 1.00 0.00 N ATOM 477 CA ASN A 32 14.229 7.012 10.304 1.00 0.00 C ATOM 478 C ASN A 32 12.969 7.581 10.953 1.00 0.00 C ATOM 479 O ASN A 32 13.034 8.392 11.878 1.00 0.00 O ATOM 480 CB ASN A 32 15.472 7.322 11.150 1.00 0.00 C ATOM 481 CG ASN A 32 15.436 6.689 12.529 1.00 0.00 C ATOM 482 OD1 ASN A 32 14.844 5.626 12.728 1.00 0.00 O ATOM 483 ND2 ASN A 32 16.079 7.336 13.489 1.00 0.00 N ATOM 0 H ASN A 32 14.427 6.810 8.226 1.00 0.00 H new ATOM 0 HA ASN A 32 14.117 5.929 10.248 1.00 0.00 H new ATOM 0 HB2 ASN A 32 16.359 6.973 10.621 1.00 0.00 H new ATOM 0 HB3 ASN A 32 15.570 8.402 11.257 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.097 6.957 14.436 1.00 0.00 H new ATOM 0 HD22 ASN A 32 16.556 8.213 13.282 1.00 0.00 H new ATOM 490 N GLU A 33 11.820 7.171 10.436 1.00 0.00 N ATOM 491 CA GLU A 33 10.537 7.640 10.938 1.00 0.00 C ATOM 492 C GLU A 33 9.487 6.546 10.791 1.00 0.00 C ATOM 493 O GLU A 33 9.506 5.792 9.817 1.00 0.00 O ATOM 494 CB GLU A 33 10.108 8.898 10.174 1.00 0.00 C ATOM 495 CG GLU A 33 8.728 9.409 10.552 1.00 0.00 C ATOM 496 CD GLU A 33 8.317 10.627 9.753 1.00 0.00 C ATOM 497 OE1 GLU A 33 8.159 10.515 8.519 1.00 0.00 O ATOM 498 OE2 GLU A 33 8.126 11.700 10.363 1.00 0.00 O ATOM 0 H GLU A 33 11.750 6.509 9.663 1.00 0.00 H new ATOM 0 HA GLU A 33 10.635 7.887 11.995 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.838 9.687 10.354 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.125 8.685 9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.997 8.615 10.399 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.714 9.655 11.614 1.00 0.00 H new ATOM 505 N ALA A 34 8.596 6.443 11.770 1.00 0.00 N ATOM 506 CA ALA A 34 7.496 5.487 11.713 1.00 0.00 C ATOM 507 C ALA A 34 6.382 6.014 10.816 1.00 0.00 C ATOM 508 O ALA A 34 6.357 7.199 10.480 1.00 0.00 O ATOM 509 CB ALA A 34 6.968 5.202 13.111 1.00 0.00 C ATOM 0 H ALA A 34 8.614 7.012 12.616 1.00 0.00 H new ATOM 0 HA ALA A 34 7.867 4.554 11.289 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.148 4.487 13.051 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.768 4.786 13.724 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.610 6.128 13.561 1.00 0.00 H new ATOM 515 N TYR A 35 5.453 5.148 10.438 1.00 0.00 N ATOM 516 CA TYR A 35 4.425 5.529 9.482 1.00 0.00 C ATOM 517 C TYR A 35 3.097 4.832 9.756 1.00 0.00 C ATOM 518 O TYR A 35 3.048 3.795 10.420 1.00 0.00 O ATOM 519 CB TYR A 35 4.895 5.204 8.062 1.00 0.00 C ATOM 520 CG TYR A 35 5.173 3.733 7.820 1.00 0.00 C ATOM 521 CD1 TYR A 35 6.422 3.182 8.085 1.00 0.00 C ATOM 522 CD2 TYR A 35 4.184 2.896 7.322 1.00 0.00 C ATOM 523 CE1 TYR A 35 6.672 1.841 7.862 1.00 0.00 C ATOM 524 CE2 TYR A 35 4.425 1.558 7.098 1.00 0.00 C ATOM 525 CZ TYR A 35 5.669 1.033 7.368 1.00 0.00 C ATOM 526 OH TYR A 35 5.910 -0.302 7.145 1.00 0.00 O ATOM 0 H TYR A 35 5.390 4.187 10.774 1.00 0.00 H new ATOM 0 HA TYR A 35 4.261 6.601 9.587 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.137 5.540 7.355 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.801 5.773 7.852 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.209 3.812 8.471 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.207 3.301 7.106 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.647 1.428 8.073 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.641 0.923 6.712 1.00 0.00 H new ATOM 0 HH TYR A 35 6.282 -0.707 7.956 1.00 0.00 H new ATOM 536 N ASN A 36 2.025 5.427 9.243 1.00 0.00 N ATOM 537 CA ASN A 36 0.701 4.817 9.264 1.00 0.00 C ATOM 538 C ASN A 36 0.243 4.578 7.833 1.00 0.00 C ATOM 539 O ASN A 36 0.307 5.481 7.003 1.00 0.00 O ATOM 540 CB ASN A 36 -0.328 5.719 9.961 1.00 0.00 C ATOM 541 CG ASN A 36 -0.001 6.020 11.410 1.00 0.00 C ATOM 542 OD1 ASN A 36 0.657 5.238 12.095 1.00 0.00 O ATOM 543 ND2 ASN A 36 -0.478 7.159 11.891 1.00 0.00 N ATOM 0 H ASN A 36 2.050 6.346 8.801 1.00 0.00 H new ATOM 0 HA ASN A 36 0.770 3.880 9.817 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.403 6.658 9.413 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.307 5.242 9.911 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.304 7.415 12.863 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.019 7.780 11.289 1.00 0.00 H new ATOM 550 N VAL A 37 -0.215 3.373 7.539 1.00 0.00 N ATOM 551 CA VAL A 37 -0.684 3.058 6.197 1.00 0.00 C ATOM 552 C VAL A 37 -2.191 3.278 6.087 1.00 0.00 C ATOM 553 O VAL A 37 -2.973 2.654 6.810 1.00 0.00 O ATOM 554 CB VAL A 37 -0.337 1.610 5.792 1.00 0.00 C ATOM 555 CG1 VAL A 37 -0.886 1.291 4.409 1.00 0.00 C ATOM 556 CG2 VAL A 37 1.167 1.399 5.825 1.00 0.00 C ATOM 0 H VAL A 37 -0.273 2.602 8.204 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.171 3.732 5.512 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.801 0.933 6.509 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.630 0.265 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.970 1.405 4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.452 1.974 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.397 0.373 5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.646 2.087 5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.538 1.585 6.833 1.00 0.00 H new ATOM 566 N PRO A 38 -2.614 4.191 5.200 1.00 0.00 N ATOM 567 CA PRO A 38 -4.028 4.486 4.973 1.00 0.00 C ATOM 568 C PRO A 38 -4.754 3.356 4.247 1.00 0.00 C ATOM 569 O PRO A 38 -4.552 3.135 3.049 1.00 0.00 O ATOM 570 CB PRO A 38 -4.011 5.754 4.103 1.00 0.00 C ATOM 571 CG PRO A 38 -2.600 6.239 4.123 1.00 0.00 C ATOM 572 CD PRO A 38 -1.749 5.029 4.361 1.00 0.00 C ATOM 0 HA PRO A 38 -4.562 4.611 5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.335 5.535 3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.690 6.509 4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.339 6.719 3.180 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.453 6.980 4.909 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.482 4.531 3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.816 5.282 4.865 1.00 0.00 H new ATOM 580 N MET A 39 -5.583 2.632 4.985 1.00 0.00 N ATOM 581 CA MET A 39 -6.426 1.595 4.404 1.00 0.00 C ATOM 582 C MET A 39 -7.637 2.246 3.750 1.00 0.00 C ATOM 583 O MET A 39 -8.045 3.338 4.146 1.00 0.00 O ATOM 584 CB MET A 39 -6.883 0.606 5.482 1.00 0.00 C ATOM 585 CG MET A 39 -5.738 -0.061 6.227 1.00 0.00 C ATOM 586 SD MET A 39 -6.314 -1.183 7.519 1.00 0.00 S ATOM 587 CE MET A 39 -4.756 -1.674 8.254 1.00 0.00 C ATOM 0 H MET A 39 -5.691 2.744 5.993 1.00 0.00 H new ATOM 0 HA MET A 39 -5.853 1.046 3.656 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.514 1.131 6.199 1.00 0.00 H new ATOM 0 HB3 MET A 39 -7.500 -0.164 5.018 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.121 -0.614 5.519 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.103 0.705 6.672 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.752 -2.753 8.411 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.937 -1.401 7.588 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.629 -1.167 9.211 1.00 0.00 H new ATOM 597 N LYS A 40 -8.205 1.592 2.751 1.00 0.00 N ATOM 598 CA LYS A 40 -9.346 2.149 2.037 1.00 0.00 C ATOM 599 C LYS A 40 -10.429 1.104 1.844 1.00 0.00 C ATOM 600 O LYS A 40 -10.143 -0.079 1.671 1.00 0.00 O ATOM 601 CB LYS A 40 -8.932 2.674 0.657 1.00 0.00 C ATOM 602 CG LYS A 40 -8.024 3.894 0.676 1.00 0.00 C ATOM 603 CD LYS A 40 -7.764 4.386 -0.739 1.00 0.00 C ATOM 604 CE LYS A 40 -6.861 5.608 -0.766 1.00 0.00 C ATOM 605 NZ LYS A 40 -6.647 6.098 -2.153 1.00 0.00 N ATOM 0 H LYS A 40 -7.898 0.679 2.416 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.729 2.971 2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.427 1.873 0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.832 2.919 0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.484 4.688 1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.080 3.644 1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.307 3.586 -1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.713 4.627 -1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.303 6.401 -0.163 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.900 5.362 -0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.026 6.932 -2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.203 5.349 -2.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.562 6.356 -2.575 1.00 0.00 H new ATOM 619 N LYS A 41 -11.673 1.538 1.896 1.00 0.00 N ATOM 620 CA LYS A 41 -12.772 0.708 1.450 1.00 0.00 C ATOM 621 C LYS A 41 -13.063 1.038 -0.004 1.00 0.00 C ATOM 622 O LYS A 41 -13.774 1.997 -0.306 1.00 0.00 O ATOM 623 CB LYS A 41 -14.020 0.926 2.311 1.00 0.00 C ATOM 624 CG LYS A 41 -15.236 0.128 1.847 1.00 0.00 C ATOM 625 CD LYS A 41 -16.442 0.325 2.764 1.00 0.00 C ATOM 626 CE LYS A 41 -17.076 1.709 2.630 1.00 0.00 C ATOM 627 NZ LYS A 41 -16.201 2.802 3.138 1.00 0.00 N ATOM 0 H LYS A 41 -11.946 2.458 2.242 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.494 -0.341 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.791 0.655 3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.271 1.987 2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.500 0.429 0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.980 -0.931 1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.191 -0.435 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.134 0.172 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.309 1.896 1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.020 1.724 3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.786 3.534 3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.531 2.416 3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.674 3.221 2.346 1.00 0.00 H new ATOM 641 N ILE A 42 -12.470 0.268 -0.900 1.00 0.00 N ATOM 642 CA ILE A 42 -12.640 0.503 -2.322 1.00 0.00 C ATOM 643 C ILE A 42 -14.058 0.113 -2.729 1.00 0.00 C ATOM 644 O ILE A 42 -14.670 -0.753 -2.101 1.00 0.00 O ATOM 645 CB ILE A 42 -11.590 -0.283 -3.147 1.00 0.00 C ATOM 646 CG1 ILE A 42 -10.182 0.002 -2.611 1.00 0.00 C ATOM 647 CG2 ILE A 42 -11.675 0.081 -4.623 1.00 0.00 C ATOM 648 CD1 ILE A 42 -9.091 -0.779 -3.313 1.00 0.00 C ATOM 0 H ILE A 42 -11.869 -0.523 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.486 1.562 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.801 -1.348 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.974 1.067 -2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.155 -0.230 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -10.928 -0.484 -5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.669 -0.160 -5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.489 1.148 -4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.124 -0.524 -2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.273 -1.847 -3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.090 -0.529 -4.374 1.00 0.00 H new ATOM 660 N LYS A 43 -14.576 0.776 -3.754 1.00 0.00 N ATOM 661 CA LYS A 43 -15.975 0.644 -4.149 1.00 0.00 C ATOM 662 C LYS A 43 -16.358 -0.805 -4.453 1.00 0.00 C ATOM 663 O LYS A 43 -16.058 -1.331 -5.524 1.00 0.00 O ATOM 664 CB LYS A 43 -16.252 1.542 -5.354 1.00 0.00 C ATOM 665 CG LYS A 43 -17.702 1.553 -5.798 1.00 0.00 C ATOM 666 CD LYS A 43 -17.963 2.692 -6.765 1.00 0.00 C ATOM 667 CE LYS A 43 -19.425 2.777 -7.164 1.00 0.00 C ATOM 668 NZ LYS A 43 -19.714 4.042 -7.886 1.00 0.00 N ATOM 0 H LYS A 43 -14.040 1.420 -4.336 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.593 0.960 -3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.950 2.561 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.630 1.215 -6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -17.948 0.603 -6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -18.352 1.652 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -17.657 3.633 -6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -17.351 2.557 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -19.681 1.928 -7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -20.051 2.712 -6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -20.721 4.071 -8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -19.491 4.851 -7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -19.133 4.091 -8.747 1.00 0.00 H new ATOM 682 N GLY A 44 -17.010 -1.442 -3.484 1.00 0.00 N ATOM 683 CA GLY A 44 -17.467 -2.807 -3.653 1.00 0.00 C ATOM 684 C GLY A 44 -16.375 -3.820 -3.385 1.00 0.00 C ATOM 685 O GLY A 44 -16.453 -4.968 -3.823 1.00 0.00 O ATOM 0 H GLY A 44 -17.231 -1.031 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -18.304 -2.993 -2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.840 -2.939 -4.669 1.00 0.00 H new ATOM 689 N TYR A 45 -15.360 -3.397 -2.655 1.00 0.00 N ATOM 690 CA TYR A 45 -14.251 -4.267 -2.309 1.00 0.00 C ATOM 691 C TYR A 45 -14.184 -4.474 -0.809 1.00 0.00 C ATOM 692 O TYR A 45 -14.785 -3.728 -0.036 1.00 0.00 O ATOM 693 CB TYR A 45 -12.929 -3.686 -2.812 1.00 0.00 C ATOM 694 CG TYR A 45 -12.734 -3.809 -4.305 1.00 0.00 C ATOM 695 CD1 TYR A 45 -13.417 -2.986 -5.190 1.00 0.00 C ATOM 696 CD2 TYR A 45 -11.867 -4.757 -4.827 1.00 0.00 C ATOM 697 CE1 TYR A 45 -13.238 -3.104 -6.555 1.00 0.00 C ATOM 698 CE2 TYR A 45 -11.684 -4.881 -6.189 1.00 0.00 C ATOM 699 CZ TYR A 45 -12.370 -4.054 -7.049 1.00 0.00 C ATOM 700 OH TYR A 45 -12.190 -4.183 -8.409 1.00 0.00 O ATOM 0 H TYR A 45 -15.281 -2.449 -2.288 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.416 -5.230 -2.792 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.877 -2.633 -2.534 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.106 -4.190 -2.305 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.099 -2.242 -4.806 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.326 -5.409 -4.157 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.775 -2.455 -7.231 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.005 -5.625 -6.579 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.544 -4.898 -8.587 1.00 0.00 H new ATOM 710 N THR A 46 -13.470 -5.505 -0.410 1.00 0.00 N ATOM 711 CA THR A 46 -13.298 -5.832 0.988 1.00 0.00 C ATOM 712 C THR A 46 -11.936 -6.481 1.208 1.00 0.00 C ATOM 713 O THR A 46 -11.527 -7.351 0.440 1.00 0.00 O ATOM 714 CB THR A 46 -14.444 -6.753 1.458 1.00 0.00 C ATOM 715 OG1 THR A 46 -15.660 -5.995 1.495 1.00 0.00 O ATOM 716 CG2 THR A 46 -14.179 -7.362 2.825 1.00 0.00 C ATOM 0 H THR A 46 -12.992 -6.141 -1.048 1.00 0.00 H new ATOM 0 HA THR A 46 -13.335 -4.919 1.582 1.00 0.00 H new ATOM 0 HB THR A 46 -14.522 -7.579 0.751 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.498 -5.099 1.131 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.016 -8.001 3.107 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.266 -7.956 2.788 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.065 -6.567 3.562 1.00 0.00 H new ATOM 724 N LEU A 47 -11.223 -6.022 2.228 1.00 0.00 N ATOM 725 CA LEU A 47 -9.891 -6.529 2.527 1.00 0.00 C ATOM 726 C LEU A 47 -9.937 -8.030 2.788 1.00 0.00 C ATOM 727 O LEU A 47 -10.574 -8.484 3.738 1.00 0.00 O ATOM 728 CB LEU A 47 -9.309 -5.802 3.744 1.00 0.00 C ATOM 729 CG LEU A 47 -7.867 -6.175 4.098 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.918 -5.775 2.981 1.00 0.00 C ATOM 731 CD2 LEU A 47 -7.451 -5.521 5.404 1.00 0.00 C ATOM 0 H LEU A 47 -11.548 -5.295 2.866 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.250 -6.345 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.355 -4.728 3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.943 -6.007 4.607 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.817 -7.257 4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.899 -6.049 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.199 -6.290 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.974 -4.698 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.423 -5.798 5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.522 -4.438 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.109 -5.857 6.205 1.00 0.00 H new ATOM 743 N LEU A 48 -9.272 -8.795 1.932 1.00 0.00 N ATOM 744 CA LEU A 48 -9.255 -10.243 2.059 1.00 0.00 C ATOM 745 C LEU A 48 -8.387 -10.652 3.242 1.00 0.00 C ATOM 746 O LEU A 48 -8.766 -11.513 4.039 1.00 0.00 O ATOM 747 CB LEU A 48 -8.741 -10.886 0.766 1.00 0.00 C ATOM 748 CG LEU A 48 -8.726 -12.417 0.750 1.00 0.00 C ATOM 749 CD1 LEU A 48 -10.124 -12.969 0.978 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.160 -12.925 -0.568 1.00 0.00 C ATOM 0 H LEU A 48 -8.737 -8.434 1.142 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.272 -10.594 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.358 -10.538 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.728 -10.528 0.581 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.086 -12.765 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.092 -14.058 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.496 -12.630 1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.788 -12.615 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.155 -14.015 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.778 -12.567 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.141 -12.558 -0.692 1.00 0.00 H new ATOM 762 N LYS A 49 -7.226 -10.017 3.340 1.00 0.00 N ATOM 763 CA LYS A 49 -6.309 -10.227 4.449 1.00 0.00 C ATOM 764 C LYS A 49 -5.147 -9.256 4.316 1.00 0.00 C ATOM 765 O LYS A 49 -4.745 -8.918 3.200 1.00 0.00 O ATOM 766 CB LYS A 49 -5.780 -11.666 4.463 1.00 0.00 C ATOM 767 CG LYS A 49 -5.050 -12.033 5.742 1.00 0.00 C ATOM 768 CD LYS A 49 -4.447 -13.423 5.667 1.00 0.00 C ATOM 769 CE LYS A 49 -3.868 -13.855 7.007 1.00 0.00 C ATOM 770 NZ LYS A 49 -2.886 -12.873 7.538 1.00 0.00 N ATOM 0 H LYS A 49 -6.895 -9.341 2.651 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.842 -10.054 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.615 -12.352 4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.106 -11.805 3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.262 -11.305 5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.742 -11.982 6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.210 -14.135 5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.664 -13.440 4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.677 -13.982 7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.385 -14.826 6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.395 -13.282 8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.192 -12.642 6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.383 -12.007 7.829 1.00 0.00 H new ATOM 784 N TYR A 50 -4.610 -8.797 5.436 1.00 0.00 N ATOM 785 CA TYR A 50 -3.477 -7.893 5.382 1.00 0.00 C ATOM 786 C TYR A 50 -2.179 -8.690 5.411 1.00 0.00 C ATOM 787 O TYR A 50 -1.645 -9.004 6.476 1.00 0.00 O ATOM 788 CB TYR A 50 -3.516 -6.893 6.540 1.00 0.00 C ATOM 789 CG TYR A 50 -2.974 -5.537 6.164 1.00 0.00 C ATOM 790 CD1 TYR A 50 -1.609 -5.285 6.159 1.00 0.00 C ATOM 791 CD2 TYR A 50 -3.833 -4.509 5.801 1.00 0.00 C ATOM 792 CE1 TYR A 50 -1.116 -4.045 5.804 1.00 0.00 C ATOM 793 CE2 TYR A 50 -3.349 -3.269 5.444 1.00 0.00 C ATOM 794 CZ TYR A 50 -1.991 -3.041 5.448 1.00 0.00 C ATOM 795 OH TYR A 50 -1.509 -1.805 5.095 1.00 0.00 O ATOM 0 H TYR A 50 -4.934 -9.031 6.375 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.529 -7.328 4.451 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.544 -6.785 6.885 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.940 -7.290 7.376 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.922 -6.071 6.437 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.899 -4.684 5.798 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.051 -3.863 5.805 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.031 -2.480 5.163 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.258 -1.214 4.871 1.00 0.00 H new ATOM 805 N ASP A 51 -1.683 -9.025 4.227 1.00 0.00 N ATOM 806 CA ASP A 51 -0.454 -9.795 4.106 1.00 0.00 C ATOM 807 C ASP A 51 0.742 -8.857 4.064 1.00 0.00 C ATOM 808 O ASP A 51 1.404 -8.711 3.037 1.00 0.00 O ATOM 809 CB ASP A 51 -0.482 -10.692 2.863 1.00 0.00 C ATOM 810 CG ASP A 51 0.681 -11.666 2.821 1.00 0.00 C ATOM 811 OD1 ASP A 51 0.817 -12.473 3.764 1.00 0.00 O ATOM 812 OD2 ASP A 51 1.453 -11.648 1.836 1.00 0.00 O ATOM 0 H ASP A 51 -2.114 -8.775 3.337 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.366 -10.443 4.978 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.419 -11.249 2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.462 -10.069 1.969 1.00 0.00 H new ATOM 817 N SER A 52 0.972 -8.193 5.184 1.00 0.00 N ATOM 818 CA SER A 52 2.062 -7.247 5.327 1.00 0.00 C ATOM 819 C SER A 52 2.040 -6.693 6.745 1.00 0.00 C ATOM 820 O SER A 52 1.088 -6.934 7.491 1.00 0.00 O ATOM 821 CB SER A 52 1.928 -6.106 4.306 1.00 0.00 C ATOM 822 OG SER A 52 3.122 -5.345 4.216 1.00 0.00 O ATOM 0 H SER A 52 0.403 -8.297 6.024 1.00 0.00 H new ATOM 0 HA SER A 52 3.010 -7.751 5.140 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.684 -6.519 3.327 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.102 -5.456 4.592 1.00 0.00 H new ATOM 0 HG SER A 52 3.005 -4.629 3.557 1.00 0.00 H new ATOM 828 N GLU A 53 3.075 -5.962 7.121 1.00 0.00 N ATOM 829 CA GLU A 53 3.152 -5.395 8.456 1.00 0.00 C ATOM 830 C GLU A 53 3.408 -3.903 8.370 1.00 0.00 C ATOM 831 O GLU A 53 4.394 -3.463 7.780 1.00 0.00 O ATOM 832 CB GLU A 53 4.241 -6.085 9.277 1.00 0.00 C ATOM 833 CG GLU A 53 4.043 -7.589 9.387 1.00 0.00 C ATOM 834 CD GLU A 53 5.037 -8.255 10.311 1.00 0.00 C ATOM 835 OE1 GLU A 53 6.133 -7.695 10.525 1.00 0.00 O ATOM 836 OE2 GLU A 53 4.725 -9.353 10.818 1.00 0.00 O ATOM 0 H GLU A 53 3.872 -5.747 6.522 1.00 0.00 H new ATOM 0 HA GLU A 53 2.200 -5.558 8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.212 -5.885 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.262 -5.653 10.278 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.033 -7.791 9.744 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.125 -8.033 8.395 1.00 0.00 H new ATOM 843 N ILE A 54 2.520 -3.132 8.971 1.00 0.00 N ATOM 844 CA ILE A 54 2.540 -1.681 8.845 1.00 0.00 C ATOM 845 C ILE A 54 3.401 -1.033 9.925 1.00 0.00 C ATOM 846 O ILE A 54 3.125 0.079 10.376 1.00 0.00 O ATOM 847 CB ILE A 54 1.108 -1.108 8.890 1.00 0.00 C ATOM 848 CG1 ILE A 54 0.355 -1.597 10.134 1.00 0.00 C ATOM 849 CG2 ILE A 54 0.360 -1.491 7.628 1.00 0.00 C ATOM 850 CD1 ILE A 54 -1.117 -1.233 10.144 1.00 0.00 C ATOM 0 H ILE A 54 1.767 -3.489 9.558 1.00 0.00 H new ATOM 0 HA ILE A 54 2.983 -1.446 7.877 1.00 0.00 H new ATOM 0 HB ILE A 54 1.173 -0.021 8.948 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.452 -2.681 10.203 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.829 -1.178 11.022 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.650 -1.083 7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.881 -1.088 6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.310 -2.577 7.550 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.580 -1.613 11.055 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.224 -0.149 10.108 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.607 -1.675 9.276 1.00 0.00 H new ATOM 862 N LEU A 55 4.458 -1.725 10.310 1.00 0.00 N ATOM 863 CA LEU A 55 5.386 -1.220 11.306 1.00 0.00 C ATOM 864 C LEU A 55 6.755 -1.015 10.675 1.00 0.00 C ATOM 865 O LEU A 55 6.974 -1.390 9.523 1.00 0.00 O ATOM 866 CB LEU A 55 5.483 -2.184 12.491 1.00 0.00 C ATOM 867 CG LEU A 55 4.177 -2.399 13.262 1.00 0.00 C ATOM 868 CD1 LEU A 55 4.388 -3.375 14.408 1.00 0.00 C ATOM 869 CD2 LEU A 55 3.643 -1.072 13.781 1.00 0.00 C ATOM 0 H LEU A 55 4.697 -2.647 9.944 1.00 0.00 H new ATOM 0 HA LEU A 55 5.018 -0.263 11.677 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.835 -3.149 12.126 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.238 -1.810 13.183 1.00 0.00 H new ATOM 0 HG LEU A 55 3.440 -2.825 12.581 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.449 -3.515 14.944 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.727 -4.333 14.013 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.140 -2.978 15.090 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.715 -1.242 14.327 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.378 -0.620 14.447 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.453 -0.403 12.942 1.00 0.00 H new ATOM 881 N GLY A 56 7.668 -0.424 11.424 1.00 0.00 N ATOM 882 CA GLY A 56 8.989 -0.161 10.901 1.00 0.00 C ATOM 883 C GLY A 56 9.200 1.310 10.616 1.00 0.00 C ATOM 884 O GLY A 56 8.393 2.150 11.022 1.00 0.00 O ATOM 0 H GLY A 56 7.518 -0.121 12.386 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.737 -0.503 11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.138 -0.733 9.985 1.00 0.00 H new ATOM 888 N VAL A 57 10.278 1.626 9.916 1.00 0.00 N ATOM 889 CA VAL A 57 10.599 3.008 9.594 1.00 0.00 C ATOM 890 C VAL A 57 10.904 3.162 8.112 1.00 0.00 C ATOM 891 O VAL A 57 11.312 2.203 7.456 1.00 0.00 O ATOM 892 CB VAL A 57 11.802 3.530 10.414 1.00 0.00 C ATOM 893 CG1 VAL A 57 11.458 3.602 11.892 1.00 0.00 C ATOM 894 CG2 VAL A 57 13.028 2.658 10.194 1.00 0.00 C ATOM 0 H VAL A 57 10.947 0.943 9.559 1.00 0.00 H new ATOM 0 HA VAL A 57 9.721 3.600 9.852 1.00 0.00 H new ATOM 0 HB VAL A 57 12.033 4.537 10.067 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.319 3.972 12.448 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.615 4.278 12.037 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.192 2.608 12.253 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.860 3.046 10.781 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.809 1.637 10.505 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.295 2.666 9.137 1.00 0.00 H new ATOM 904 N PHE A 58 10.711 4.373 7.593 1.00 0.00 N ATOM 905 CA PHE A 58 11.001 4.673 6.190 1.00 0.00 C ATOM 906 C PHE A 58 12.443 4.328 5.839 1.00 0.00 C ATOM 907 O PHE A 58 12.738 3.906 4.722 1.00 0.00 O ATOM 908 CB PHE A 58 10.747 6.154 5.891 1.00 0.00 C ATOM 909 CG PHE A 58 9.302 6.551 5.957 1.00 0.00 C ATOM 910 CD1 PHE A 58 8.739 6.979 7.146 1.00 0.00 C ATOM 911 CD2 PHE A 58 8.508 6.496 4.825 1.00 0.00 C ATOM 912 CE1 PHE A 58 7.410 7.344 7.206 1.00 0.00 C ATOM 913 CE2 PHE A 58 7.176 6.860 4.879 1.00 0.00 C ATOM 914 CZ PHE A 58 6.627 7.285 6.071 1.00 0.00 C ATOM 0 H PHE A 58 10.353 5.166 8.125 1.00 0.00 H new ATOM 0 HA PHE A 58 10.335 4.061 5.581 1.00 0.00 H new ATOM 0 HB2 PHE A 58 11.312 6.759 6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.131 6.385 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.347 7.028 8.037 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.934 6.165 3.889 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.982 7.676 8.141 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.566 6.812 3.989 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.587 7.571 6.116 1.00 0.00 H new ATOM 924 N THR A 59 13.334 4.495 6.813 1.00 0.00 N ATOM 925 CA THR A 59 14.756 4.264 6.603 1.00 0.00 C ATOM 926 C THR A 59 15.241 5.104 5.415 1.00 0.00 C ATOM 927 O THR A 59 14.961 6.302 5.354 1.00 0.00 O ATOM 928 CB THR A 59 15.037 2.763 6.361 1.00 0.00 C ATOM 929 OG1 THR A 59 14.159 1.968 7.173 1.00 0.00 O ATOM 930 CG2 THR A 59 16.479 2.412 6.700 1.00 0.00 C ATOM 0 H THR A 59 13.092 4.791 7.759 1.00 0.00 H new ATOM 0 HA THR A 59 15.301 4.565 7.498 1.00 0.00 H new ATOM 0 HB THR A 59 14.865 2.554 5.305 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.649 1.632 7.953 1.00 0.00 H new ATOM 0 HG21 THR A 59 16.647 1.350 6.520 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.153 2.997 6.074 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.671 2.637 7.749 1.00 0.00 H new ATOM 938 N GLU A 60 15.944 4.480 4.480 1.00 0.00 N ATOM 939 CA GLU A 60 16.385 5.145 3.262 1.00 0.00 C ATOM 940 C GLU A 60 15.944 4.340 2.049 1.00 0.00 C ATOM 941 O GLU A 60 16.492 4.477 0.954 1.00 0.00 O ATOM 942 CB GLU A 60 17.907 5.298 3.269 1.00 0.00 C ATOM 943 CG GLU A 60 18.407 6.418 4.159 1.00 0.00 C ATOM 944 CD GLU A 60 18.236 7.783 3.525 1.00 0.00 C ATOM 945 OE1 GLU A 60 17.084 8.186 3.252 1.00 0.00 O ATOM 946 OE2 GLU A 60 19.262 8.446 3.266 1.00 0.00 O ATOM 0 H GLU A 60 16.224 3.501 4.544 1.00 0.00 H new ATOM 0 HA GLU A 60 15.935 6.137 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.355 4.360 3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.249 5.477 2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.870 6.392 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 60 19.461 6.255 4.385 1.00 0.00 H new ATOM 953 N SER A 61 14.935 3.509 2.249 1.00 0.00 N ATOM 954 CA SER A 61 14.479 2.603 1.214 1.00 0.00 C ATOM 955 C SER A 61 12.991 2.799 0.949 1.00 0.00 C ATOM 956 O SER A 61 12.178 2.720 1.868 1.00 0.00 O ATOM 957 CB SER A 61 14.739 1.157 1.641 1.00 0.00 C ATOM 958 OG SER A 61 16.067 0.996 2.117 1.00 0.00 O ATOM 0 H SER A 61 14.415 3.445 3.124 1.00 0.00 H new ATOM 0 HA SER A 61 15.029 2.817 0.298 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.033 0.872 2.421 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.568 0.489 0.797 1.00 0.00 H new ATOM 0 HG SER A 61 16.208 0.064 2.385 1.00 0.00 H new ATOM 964 N PRO A 62 12.617 3.085 -0.306 1.00 0.00 N ATOM 965 CA PRO A 62 11.213 3.139 -0.706 1.00 0.00 C ATOM 966 C PRO A 62 10.547 1.779 -0.525 1.00 0.00 C ATOM 967 O PRO A 62 10.806 0.841 -1.282 1.00 0.00 O ATOM 968 CB PRO A 62 11.262 3.529 -2.188 1.00 0.00 C ATOM 969 CG PRO A 62 12.624 4.100 -2.397 1.00 0.00 C ATOM 970 CD PRO A 62 13.522 3.391 -1.423 1.00 0.00 C ATOM 0 HA PRO A 62 10.633 3.842 -0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.095 2.663 -2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.488 4.258 -2.429 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.960 3.944 -3.422 1.00 0.00 H new ATOM 0 HG3 PRO A 62 12.628 5.176 -2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.952 2.487 -1.854 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.354 4.021 -1.108 1.00 0.00 H new ATOM 978 N GLN A 63 9.731 1.667 0.508 1.00 0.00 N ATOM 979 CA GLN A 63 9.081 0.409 0.840 1.00 0.00 C ATOM 980 C GLN A 63 7.762 0.280 0.094 1.00 0.00 C ATOM 981 O GLN A 63 7.226 1.270 -0.397 1.00 0.00 O ATOM 982 CB GLN A 63 8.847 0.329 2.350 1.00 0.00 C ATOM 983 CG GLN A 63 10.125 0.468 3.163 1.00 0.00 C ATOM 984 CD GLN A 63 9.866 0.582 4.653 1.00 0.00 C ATOM 985 OE1 GLN A 63 8.826 1.081 5.079 1.00 0.00 O ATOM 986 NE2 GLN A 63 10.818 0.133 5.456 1.00 0.00 N ATOM 0 H GLN A 63 9.501 2.437 1.136 1.00 0.00 H new ATOM 0 HA GLN A 63 9.729 -0.414 0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.149 1.113 2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.375 -0.624 2.588 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.765 -0.394 2.975 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.671 1.349 2.825 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.667 -0.274 5.063 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.703 0.194 6.468 1.00 0.00 H new ATOM 995 N THR A 64 7.246 -0.937 0.013 1.00 0.00 N ATOM 996 CA THR A 64 5.984 -1.187 -0.661 1.00 0.00 C ATOM 997 C THR A 64 5.066 -2.025 0.223 1.00 0.00 C ATOM 998 O THR A 64 5.430 -3.121 0.652 1.00 0.00 O ATOM 999 CB THR A 64 6.202 -1.896 -2.016 1.00 0.00 C ATOM 1000 OG1 THR A 64 6.945 -1.044 -2.900 1.00 0.00 O ATOM 1001 CG2 THR A 64 4.876 -2.269 -2.664 1.00 0.00 C ATOM 0 H THR A 64 7.685 -1.769 0.408 1.00 0.00 H new ATOM 0 HA THR A 64 5.513 -0.223 -0.853 1.00 0.00 H new ATOM 0 HB THR A 64 6.763 -2.812 -1.829 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.081 -1.500 -3.757 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.063 -2.766 -3.616 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.326 -2.941 -2.006 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.288 -1.367 -2.835 1.00 0.00 H new ATOM 1009 N ILE A 65 3.885 -1.495 0.508 1.00 0.00 N ATOM 1010 CA ILE A 65 2.918 -2.188 1.345 1.00 0.00 C ATOM 1011 C ILE A 65 1.842 -2.831 0.485 1.00 0.00 C ATOM 1012 O ILE A 65 1.083 -2.138 -0.193 1.00 0.00 O ATOM 1013 CB ILE A 65 2.252 -1.234 2.361 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.311 -0.566 3.242 1.00 0.00 C ATOM 1015 CG2 ILE A 65 1.238 -1.982 3.217 1.00 0.00 C ATOM 1016 CD1 ILE A 65 4.183 -1.549 3.993 1.00 0.00 C ATOM 0 H ILE A 65 3.573 -0.584 0.170 1.00 0.00 H new ATOM 0 HA ILE A 65 3.460 -2.955 1.898 1.00 0.00 H new ATOM 0 HB ILE A 65 1.724 -0.458 1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.944 0.066 2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.815 0.088 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.781 -1.292 3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.466 -2.409 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.741 -2.781 3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.909 -1.004 4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.561 -2.165 4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.707 -2.187 3.282 1.00 0.00 H new ATOM 1028 N ASN A 66 1.791 -4.153 0.504 1.00 0.00 N ATOM 1029 CA ASN A 66 0.813 -4.890 -0.285 1.00 0.00 C ATOM 1030 C ASN A 66 -0.479 -5.080 0.494 1.00 0.00 C ATOM 1031 O ASN A 66 -0.529 -5.843 1.459 1.00 0.00 O ATOM 1032 CB ASN A 66 1.362 -6.256 -0.705 1.00 0.00 C ATOM 1033 CG ASN A 66 2.517 -6.162 -1.683 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.620 -5.210 -2.460 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.386 -7.160 -1.662 1.00 0.00 N ATOM 0 H ASN A 66 2.415 -4.740 1.057 1.00 0.00 H new ATOM 0 HA ASN A 66 0.606 -4.303 -1.180 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.690 -6.797 0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.559 -6.840 -1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.178 -7.160 -2.305 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.264 -7.929 -1.003 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.517 -4.370 0.085 1.00 0.00 N ATOM 1043 CA ILE A 67 -2.827 -4.521 0.695 1.00 0.00 C ATOM 1044 C ILE A 67 -3.762 -5.211 -0.289 1.00 0.00 C ATOM 1045 O ILE A 67 -4.140 -4.632 -1.303 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.436 -3.163 1.108 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.386 -2.281 1.784 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.610 -3.386 2.047 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -2.914 -0.923 2.193 1.00 0.00 C ATOM 0 H ILE A 67 -1.478 -3.683 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.706 -5.120 1.598 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.786 -2.654 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.004 -2.795 2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.544 -2.146 1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.034 -2.424 2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.371 -3.982 1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.268 -3.912 2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.117 -0.350 2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.270 -0.390 1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.737 -1.049 2.897 1.00 0.00 H new ATOM 1061 N ILE A 68 -4.123 -6.449 0.007 1.00 0.00 N ATOM 1062 CA ILE A 68 -4.880 -7.268 -0.931 1.00 0.00 C ATOM 1063 C ILE A 68 -6.382 -7.197 -0.670 1.00 0.00 C ATOM 1064 O ILE A 68 -6.869 -7.623 0.381 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.403 -8.732 -0.877 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -2.952 -8.810 -1.358 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -5.303 -9.634 -1.711 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.363 -10.199 -1.311 1.00 0.00 C ATOM 0 H ILE A 68 -3.905 -6.911 0.890 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.698 -6.867 -1.928 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.457 -9.084 0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.899 -8.438 -2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.341 -8.147 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.942 -10.661 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.322 -9.586 -1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.290 -9.302 -2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.333 -10.170 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.382 -10.568 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.948 -10.864 -1.946 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.111 -6.661 -1.638 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.551 -6.527 -1.521 1.00 0.00 C ATOM 1082 C TYR A 69 -9.264 -7.554 -2.382 1.00 0.00 C ATOM 1083 O TYR A 69 -8.763 -7.974 -3.425 1.00 0.00 O ATOM 1084 CB TYR A 69 -8.997 -5.120 -1.922 1.00 0.00 C ATOM 1085 CG TYR A 69 -8.495 -4.039 -0.998 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -7.251 -3.459 -1.192 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -9.266 -3.598 0.069 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -6.789 -2.470 -0.351 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -8.810 -2.609 0.915 1.00 0.00 C ATOM 1090 CZ TYR A 69 -7.571 -2.046 0.702 1.00 0.00 C ATOM 1091 OH TYR A 69 -7.110 -1.054 1.538 1.00 0.00 O ATOM 0 H TYR A 69 -6.725 -6.312 -2.515 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.816 -6.700 -0.478 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.648 -4.912 -2.933 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.086 -5.087 -1.948 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.634 -3.787 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.238 -4.036 0.239 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.817 -2.028 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.422 -2.277 1.741 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.551 -0.430 1.029 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.431 -7.958 -1.927 1.00 0.00 N ATOM 1102 CA GLN A 70 -11.269 -8.883 -2.658 1.00 0.00 C ATOM 1103 C GLN A 70 -12.557 -8.173 -3.049 1.00 0.00 C ATOM 1104 O GLN A 70 -13.226 -7.591 -2.196 1.00 0.00 O ATOM 1105 CB GLN A 70 -11.582 -10.096 -1.781 1.00 0.00 C ATOM 1106 CG GLN A 70 -12.265 -11.237 -2.517 1.00 0.00 C ATOM 1107 CD GLN A 70 -12.733 -12.331 -1.576 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -13.127 -12.067 -0.437 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -12.665 -13.571 -2.031 1.00 0.00 N ATOM 0 H GLN A 70 -10.826 -7.653 -1.037 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.754 -9.225 -3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.653 -10.464 -1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.218 -9.779 -0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.119 -10.849 -3.072 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.575 -11.660 -3.247 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.334 -13.749 -2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.944 -14.349 -1.434 1.00 0.00 H new ATOM 1118 N LYS A 71 -12.891 -8.184 -4.330 1.00 0.00 N ATOM 1119 CA LYS A 71 -14.131 -7.569 -4.779 1.00 0.00 C ATOM 1120 C LYS A 71 -15.305 -8.409 -4.304 1.00 0.00 C ATOM 1121 O LYS A 71 -15.284 -9.634 -4.425 1.00 0.00 O ATOM 1122 CB LYS A 71 -14.158 -7.432 -6.304 1.00 0.00 C ATOM 1123 CG LYS A 71 -15.270 -6.523 -6.813 1.00 0.00 C ATOM 1124 CD LYS A 71 -15.230 -6.392 -8.326 1.00 0.00 C ATOM 1125 CE LYS A 71 -16.183 -5.317 -8.832 1.00 0.00 C ATOM 1126 NZ LYS A 71 -17.601 -5.603 -8.484 1.00 0.00 N ATOM 0 H LYS A 71 -12.329 -8.606 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.201 -6.567 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.198 -7.043 -6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.276 -8.421 -6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.237 -6.922 -6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.173 -5.537 -6.358 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.214 -6.154 -8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.489 -7.349 -8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.896 -4.354 -8.410 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.088 -5.232 -9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.214 -4.869 -8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.871 -6.532 -8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.711 -5.607 -7.450 1.00 0.00 H new ATOM 1140 N LYS A 72 -16.316 -7.756 -3.754 1.00 0.00 N ATOM 1141 CA LYS A 72 -17.459 -8.465 -3.203 1.00 0.00 C ATOM 1142 C LYS A 72 -18.374 -8.956 -4.318 1.00 0.00 C ATOM 1143 O LYS A 72 -19.431 -8.378 -4.568 1.00 0.00 O ATOM 1144 CB LYS A 72 -18.243 -7.573 -2.241 1.00 0.00 C ATOM 1145 CG LYS A 72 -17.402 -7.041 -1.097 1.00 0.00 C ATOM 1146 CD LYS A 72 -18.257 -6.370 -0.037 1.00 0.00 C ATOM 1147 CE LYS A 72 -19.024 -5.180 -0.587 1.00 0.00 C ATOM 1148 NZ LYS A 72 -19.843 -4.530 0.468 1.00 0.00 N ATOM 0 H LYS A 72 -16.368 -6.740 -3.677 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.083 -9.326 -2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -18.663 -6.734 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -19.082 -8.138 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.840 -7.859 -0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.673 -6.328 -1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.960 -7.095 0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.622 -6.042 0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.325 -4.456 -1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.670 -5.506 -1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.355 -3.721 0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -20.526 -5.216 0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.223 -4.198 1.234 1.00 0.00 H new ATOM 1162 N ALA A 73 -17.941 -10.002 -5.007 1.00 0.00 N ATOM 1163 CA ALA A 73 -18.723 -10.585 -6.084 1.00 0.00 C ATOM 1164 C ALA A 73 -20.018 -11.169 -5.536 1.00 0.00 C ATOM 1165 O ALA A 73 -20.008 -11.836 -4.500 1.00 0.00 O ATOM 1166 CB ALA A 73 -17.916 -11.653 -6.806 1.00 0.00 C ATOM 0 H ALA A 73 -17.048 -10.465 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 73 -18.973 -9.802 -6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -18.515 -12.080 -7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -17.014 -11.207 -7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -17.640 -12.438 -6.102 1.00 0.00 H new ATOM 1172 N PRO A 74 -21.147 -10.910 -6.216 1.00 0.00 N ATOM 1173 CA PRO A 74 -22.463 -11.388 -5.783 1.00 0.00 C ATOM 1174 C PRO A 74 -22.463 -12.881 -5.486 1.00 0.00 C ATOM 1175 O PRO A 74 -22.209 -13.707 -6.371 1.00 0.00 O ATOM 1176 CB PRO A 74 -23.366 -11.076 -6.976 1.00 0.00 C ATOM 1177 CG PRO A 74 -22.706 -9.929 -7.655 1.00 0.00 C ATOM 1178 CD PRO A 74 -21.228 -10.128 -7.463 1.00 0.00 C ATOM 0 HA PRO A 74 -22.786 -10.914 -4.856 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -23.454 -11.934 -7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -24.375 -10.819 -6.653 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -22.962 -9.903 -8.714 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -23.031 -8.982 -7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -20.782 -10.662 -8.302 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -20.703 -9.177 -7.376 1.00 0.00 H new ATOM 1186 N GLU A 75 -22.725 -13.220 -4.233 1.00 0.00 N ATOM 1187 CA GLU A 75 -22.721 -14.605 -3.799 1.00 0.00 C ATOM 1188 C GLU A 75 -23.923 -15.337 -4.383 1.00 0.00 C ATOM 1189 O GLU A 75 -23.814 -16.494 -4.794 1.00 0.00 O ATOM 1190 CB GLU A 75 -22.706 -14.675 -2.274 1.00 0.00 C ATOM 1191 CG GLU A 75 -21.498 -13.975 -1.668 1.00 0.00 C ATOM 1192 CD GLU A 75 -21.515 -13.965 -0.157 1.00 0.00 C ATOM 1193 OE1 GLU A 75 -22.233 -13.126 0.427 1.00 0.00 O ATOM 1194 OE2 GLU A 75 -20.804 -14.788 0.455 1.00 0.00 O ATOM 0 H GLU A 75 -22.944 -12.549 -3.496 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.820 -15.098 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.617 -14.222 -1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -22.711 -15.719 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -20.589 -14.469 -2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -21.460 -12.948 -2.032 1.00 0.00 H new ATOM 1201 N GLN A 76 -25.059 -14.652 -4.435 1.00 0.00 N ATOM 1202 CA GLN A 76 -26.210 -15.159 -5.166 1.00 0.00 C ATOM 1203 C GLN A 76 -25.970 -14.979 -6.660 1.00 0.00 C ATOM 1204 O GLN A 76 -26.082 -13.871 -7.190 1.00 0.00 O ATOM 1205 CB GLN A 76 -27.496 -14.440 -4.753 1.00 0.00 C ATOM 1206 CG GLN A 76 -27.897 -14.668 -3.304 1.00 0.00 C ATOM 1207 CD GLN A 76 -29.245 -14.054 -2.978 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -29.643 -13.049 -3.568 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -29.961 -14.656 -2.042 1.00 0.00 N ATOM 0 H GLN A 76 -25.206 -13.750 -3.982 1.00 0.00 H new ATOM 0 HA GLN A 76 -26.332 -16.216 -4.931 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -27.371 -13.370 -4.920 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -28.308 -14.771 -5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -27.929 -15.739 -3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -27.138 -14.243 -2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -29.596 -15.487 -1.576 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -30.878 -14.289 -1.786 1.00 0.00 H new ATOM 1218 N ALA A 77 -25.614 -16.062 -7.328 1.00 0.00 N ATOM 1219 CA ALA A 77 -25.253 -16.008 -8.734 1.00 0.00 C ATOM 1220 C ALA A 77 -26.279 -16.737 -9.586 1.00 0.00 C ATOM 1221 O ALA A 77 -27.318 -17.165 -9.086 1.00 0.00 O ATOM 1222 CB ALA A 77 -23.869 -16.605 -8.937 1.00 0.00 C ATOM 0 H ALA A 77 -25.567 -16.994 -6.917 1.00 0.00 H new ATOM 0 HA ALA A 77 -25.237 -14.964 -9.048 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -23.605 -16.561 -9.994 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -23.140 -16.039 -8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -23.869 -17.643 -8.606 1.00 0.00 H new ATOM 1228 N LEU A 78 -25.982 -16.884 -10.871 1.00 0.00 N ATOM 1229 CA LEU A 78 -26.877 -17.576 -11.792 1.00 0.00 C ATOM 1230 C LEU A 78 -26.620 -19.080 -11.770 1.00 0.00 C ATOM 1231 O LEU A 78 -27.159 -19.829 -12.587 1.00 0.00 O ATOM 1232 CB LEU A 78 -26.704 -17.031 -13.210 1.00 0.00 C ATOM 1233 CG LEU A 78 -27.000 -15.538 -13.369 1.00 0.00 C ATOM 1234 CD1 LEU A 78 -26.780 -15.103 -14.807 1.00 0.00 C ATOM 1235 CD2 LEU A 78 -28.422 -15.228 -12.929 1.00 0.00 C ATOM 0 H LEU A 78 -25.126 -16.533 -11.301 1.00 0.00 H new ATOM 0 HA LEU A 78 -27.903 -17.399 -11.469 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -25.680 -17.220 -13.533 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -27.358 -17.589 -13.880 1.00 0.00 H new ATOM 0 HG LEU A 78 -26.314 -14.980 -12.732 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -26.995 -14.039 -14.902 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -25.744 -15.291 -15.089 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -27.443 -15.667 -15.463 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -28.616 -14.162 -13.049 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -29.124 -15.795 -13.540 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -28.547 -15.504 -11.882 1.00 0.00 H new ATOM 1247 N GLU A 79 -25.798 -19.510 -10.828 1.00 0.00 N ATOM 1248 CA GLU A 79 -25.495 -20.918 -10.646 1.00 0.00 C ATOM 1249 C GLU A 79 -25.339 -21.199 -9.154 1.00 0.00 C ATOM 1250 O GLU A 79 -25.182 -20.266 -8.363 1.00 0.00 O ATOM 1251 CB GLU A 79 -24.216 -21.294 -11.406 1.00 0.00 C ATOM 1252 CG GLU A 79 -24.029 -22.791 -11.578 1.00 0.00 C ATOM 1253 CD GLU A 79 -22.713 -23.155 -12.227 1.00 0.00 C ATOM 1254 OE1 GLU A 79 -22.617 -23.097 -13.474 1.00 0.00 O ATOM 1255 OE2 GLU A 79 -21.768 -23.512 -11.494 1.00 0.00 O ATOM 0 H GLU A 79 -25.323 -18.893 -10.169 1.00 0.00 H new ATOM 0 HA GLU A 79 -26.309 -21.523 -11.046 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -24.236 -20.823 -12.389 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -23.355 -20.887 -10.875 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -24.091 -23.273 -10.602 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -24.846 -23.186 -12.182 1.00 0.00 H new ATOM 1262 N HIS A 80 -25.375 -22.469 -8.768 1.00 0.00 N ATOM 1263 CA HIS A 80 -25.295 -22.836 -7.355 1.00 0.00 C ATOM 1264 C HIS A 80 -23.880 -22.637 -6.819 1.00 0.00 C ATOM 1265 O HIS A 80 -23.657 -22.615 -5.609 1.00 0.00 O ATOM 1266 CB HIS A 80 -25.750 -24.284 -7.138 1.00 0.00 C ATOM 1267 CG HIS A 80 -27.202 -24.510 -7.446 1.00 0.00 C ATOM 1268 ND1 HIS A 80 -28.223 -24.070 -6.632 1.00 0.00 N ATOM 1269 CD2 HIS A 80 -27.801 -25.123 -8.494 1.00 0.00 C ATOM 1270 CE1 HIS A 80 -29.383 -24.400 -7.166 1.00 0.00 C ATOM 1271 NE2 HIS A 80 -29.154 -25.040 -8.294 1.00 0.00 N ATOM 0 H HIS A 80 -25.459 -23.259 -9.407 1.00 0.00 H new ATOM 0 HA HIS A 80 -25.967 -22.179 -6.802 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -25.148 -24.943 -7.763 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -25.559 -24.565 -6.102 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -27.305 -25.590 -9.332 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -30.355 -24.182 -6.749 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -29.869 -25.414 -8.918 1.00 0.00 H new ATOM 1280 N HIS A 81 -22.927 -22.496 -7.730 1.00 0.00 N ATOM 1281 CA HIS A 81 -21.545 -22.209 -7.369 1.00 0.00 C ATOM 1282 C HIS A 81 -20.982 -21.150 -8.299 1.00 0.00 C ATOM 1283 O HIS A 81 -21.590 -20.818 -9.319 1.00 0.00 O ATOM 1284 CB HIS A 81 -20.670 -23.463 -7.457 1.00 0.00 C ATOM 1285 CG HIS A 81 -21.031 -24.537 -6.484 1.00 0.00 C ATOM 1286 ND1 HIS A 81 -21.866 -25.580 -6.799 1.00 0.00 N ATOM 1287 CD2 HIS A 81 -20.656 -24.732 -5.200 1.00 0.00 C ATOM 1288 CE1 HIS A 81 -21.993 -26.372 -5.754 1.00 0.00 C ATOM 1289 NE2 HIS A 81 -21.268 -25.882 -4.766 1.00 0.00 N ATOM 0 H HIS A 81 -23.088 -22.577 -8.734 1.00 0.00 H new ATOM 0 HA HIS A 81 -21.538 -21.852 -6.339 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -20.736 -23.867 -8.467 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -19.630 -23.178 -7.296 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -19.997 -24.100 -4.623 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -22.590 -27.271 -5.713 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -21.177 -26.290 -3.835 1.00 0.00 H new ATOM 1298 N HIS A 82 -19.832 -20.613 -7.941 1.00 0.00 N ATOM 1299 CA HIS A 82 -19.119 -19.690 -8.808 1.00 0.00 C ATOM 1300 C HIS A 82 -17.985 -20.429 -9.490 1.00 0.00 C ATOM 1301 O HIS A 82 -17.276 -21.201 -8.846 1.00 0.00 O ATOM 1302 CB HIS A 82 -18.546 -18.511 -8.013 1.00 0.00 C ATOM 1303 CG HIS A 82 -19.570 -17.718 -7.267 1.00 0.00 C ATOM 1304 ND1 HIS A 82 -19.972 -18.036 -5.991 1.00 0.00 N ATOM 1305 CD2 HIS A 82 -20.259 -16.605 -7.612 1.00 0.00 C ATOM 1306 CE1 HIS A 82 -20.863 -17.157 -5.581 1.00 0.00 C ATOM 1307 NE2 HIS A 82 -21.056 -16.274 -6.544 1.00 0.00 N ATOM 0 H HIS A 82 -19.368 -20.800 -7.052 1.00 0.00 H new ATOM 0 HA HIS A 82 -19.819 -19.298 -9.546 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.809 -18.889 -7.304 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -18.018 -17.848 -8.698 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -20.194 -16.076 -8.551 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.353 -17.158 -4.619 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -21.692 -15.478 -6.501 1.00 0.00 H new ATOM 1316 N HIS A 83 -17.811 -20.199 -10.782 1.00 0.00 N ATOM 1317 CA HIS A 83 -16.707 -20.803 -11.511 1.00 0.00 C ATOM 1318 C HIS A 83 -15.424 -20.083 -11.137 1.00 0.00 C ATOM 1319 O HIS A 83 -14.984 -19.154 -11.815 1.00 0.00 O ATOM 1320 CB HIS A 83 -16.954 -20.767 -13.021 1.00 0.00 C ATOM 1321 CG HIS A 83 -18.114 -21.615 -13.442 1.00 0.00 C ATOM 1322 ND1 HIS A 83 -17.978 -22.909 -13.894 1.00 0.00 N ATOM 1323 CD2 HIS A 83 -19.441 -21.355 -13.454 1.00 0.00 C ATOM 1324 CE1 HIS A 83 -19.169 -23.406 -14.163 1.00 0.00 C ATOM 1325 NE2 HIS A 83 -20.077 -22.486 -13.904 1.00 0.00 N ATOM 0 H HIS A 83 -18.417 -19.602 -11.345 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.620 -21.854 -11.236 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.132 -19.737 -13.330 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -16.056 -21.105 -13.539 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -19.914 -20.428 -13.163 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -19.368 -24.401 -14.534 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -21.085 -22.596 -14.019 1.00 0.00 H new ATOM 1334 N HIS A 84 -14.865 -20.519 -10.019 1.00 0.00 N ATOM 1335 CA HIS A 84 -13.781 -19.834 -9.336 1.00 0.00 C ATOM 1336 C HIS A 84 -13.582 -20.530 -7.999 1.00 0.00 C ATOM 1337 O HIS A 84 -12.463 -20.697 -7.520 1.00 0.00 O ATOM 1338 CB HIS A 84 -14.140 -18.357 -9.108 1.00 0.00 C ATOM 1339 CG HIS A 84 -12.987 -17.488 -8.707 1.00 0.00 C ATOM 1340 ND1 HIS A 84 -12.337 -16.659 -9.593 1.00 0.00 N ATOM 1341 CD2 HIS A 84 -12.391 -17.293 -7.507 1.00 0.00 C ATOM 1342 CE1 HIS A 84 -11.392 -15.993 -8.959 1.00 0.00 C ATOM 1343 NE2 HIS A 84 -11.404 -16.357 -7.692 1.00 0.00 N ATOM 0 H HIS A 84 -15.159 -21.377 -9.552 1.00 0.00 H new ATOM 0 HA HIS A 84 -12.870 -19.868 -9.934 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -14.577 -17.958 -10.023 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -14.907 -18.298 -8.336 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.645 -17.782 -6.578 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.722 -15.272 -9.402 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.781 -16.001 -6.967 1.00 0.00 H new ATOM 1352 N HIS A 85 -14.705 -20.940 -7.417 1.00 0.00 N ATOM 1353 CA HIS A 85 -14.723 -21.708 -6.182 1.00 0.00 C ATOM 1354 C HIS A 85 -16.023 -22.494 -6.087 1.00 0.00 C ATOM 1355 O HIS A 85 -16.117 -23.555 -6.737 1.00 0.00 O ATOM 1356 CB HIS A 85 -14.567 -20.799 -4.958 1.00 0.00 C ATOM 1357 CG HIS A 85 -13.181 -20.791 -4.399 1.00 0.00 C ATOM 1358 ND1 HIS A 85 -12.599 -21.901 -3.826 1.00 0.00 N ATOM 1359 CD2 HIS A 85 -12.255 -19.806 -4.332 1.00 0.00 C ATOM 1360 CE1 HIS A 85 -11.378 -21.600 -3.431 1.00 0.00 C ATOM 1361 NE2 HIS A 85 -11.141 -20.336 -3.726 1.00 0.00 N ATOM 1362 OXT HIS A 85 -16.944 -22.043 -5.373 1.00 0.00 O ATOM 0 H HIS A 85 -15.633 -20.746 -7.794 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.879 -22.398 -6.196 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.846 -19.782 -5.232 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -15.262 -21.123 -4.183 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.370 -18.793 -4.688 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -10.687 -22.275 -2.947 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -10.273 -19.834 -3.536 1.00 0.00 H new TER 1371 HIS A 85