USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 677 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 24 GLN : amide:sc= 0 K(o=-1.2,f=-1.7) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 165:sc= -1.16 (180deg=-1.76!) USER MOD Set 2.1: A 4 ASN : amide:sc= -0.263 K(o=-0.91,f=-3.2!) USER MOD Set 2.2: A 6 TYR OH : rot 49:sc= 0.382 USER MOD Set 2.3: A 78 SER OG : rot 95:sc= -1.03! USER MOD Set 3.1: A 3 GLN : amide:sc= -10.3! C(o=-10!,f=-16!) USER MOD Set 3.2: A 64 TYR OH : rot 56:sc=-0.00957! USER MOD Single : A 1 MET CE :methyl -170:sc= -1.93 (180deg=-2.51!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00353 USER MOD Single : A 12 THR OG1 : rot 88:sc= 0.23 USER MOD Single : A 15 HIS : no HD1:sc= -10.6! C(o=-11!,f=-10!) USER MOD Single : A 20 THR OG1 : rot 102:sc= 0.216 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -59:sc= 0.369 USER MOD Single : A 31 SER OG : rot 70:sc= -2.88! USER MOD Single : A 34 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.3) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0459 USER MOD Single : A 38 ASN : amide:sc= -10.4! C(o=-10!,f=-10!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.591 F(o=-2.7,f=-0.59) USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= -0.589 (180deg=-2.8!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 149:sc= -0.982 (180deg=-3.33!) USER MOD Single : A 52 SER OG : rot 95:sc= 0.443 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -7:sc= -1.71! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 74:sc= -2.83! USER MOD Single : A 75 GLN :FLIP amide:sc= -0.267 F(o=-2.4!,f=-0.27) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.874 0.724 14.061 1.00 0.00 N ATOM 2 CA MET A 1 -8.169 0.751 12.792 1.00 0.00 C ATOM 3 C MET A 1 -7.002 -0.238 12.791 1.00 0.00 C ATOM 4 O MET A 1 -6.175 -0.229 13.703 1.00 0.00 O ATOM 5 CB MET A 1 -7.642 2.164 12.530 1.00 0.00 C ATOM 6 CG MET A 1 -6.709 2.186 11.318 1.00 0.00 C ATOM 7 SD MET A 1 -5.974 3.803 11.142 1.00 0.00 S ATOM 8 CE MET A 1 -7.308 4.818 11.755 1.00 0.00 C ATOM 0 H1 MET A 1 -9.661 1.404 14.036 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.247 -0.232 14.230 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.219 0.981 14.827 1.00 0.00 H new ATOM 0 HA MET A 1 -8.866 0.462 12.005 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.478 2.842 12.362 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.110 2.526 13.410 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.929 1.434 11.436 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.265 1.930 10.416 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.090 5.867 11.552 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.237 4.538 11.258 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.413 4.671 12.830 1.00 0.00 H new ATOM 18 N GLU A 2 -6.970 -1.067 11.757 1.00 0.00 N ATOM 19 CA GLU A 2 -5.918 -2.060 11.626 1.00 0.00 C ATOM 20 C GLU A 2 -5.040 -1.746 10.413 1.00 0.00 C ATOM 21 O GLU A 2 -5.551 -1.503 9.320 1.00 0.00 O ATOM 22 CB GLU A 2 -6.504 -3.469 11.529 1.00 0.00 C ATOM 23 CG GLU A 2 -6.063 -4.159 10.237 1.00 0.00 C ATOM 24 CD GLU A 2 -6.151 -5.681 10.368 1.00 0.00 C ATOM 25 OE1 GLU A 2 -6.508 -6.190 11.441 1.00 0.00 O ATOM 26 OE2 GLU A 2 -5.835 -6.339 9.306 1.00 0.00 O ATOM 0 H GLU A 2 -7.656 -1.071 11.002 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.295 -2.022 12.520 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.185 -4.059 12.388 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.592 -3.417 11.565 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.690 -3.825 9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.040 -3.870 9.998 1.00 0.00 H new ATOM 34 N GLN A 3 -3.736 -1.761 10.646 1.00 0.00 N ATOM 35 CA GLN A 3 -2.783 -1.481 9.584 1.00 0.00 C ATOM 36 C GLN A 3 -1.893 -2.701 9.335 1.00 0.00 C ATOM 37 O GLN A 3 -2.077 -3.746 9.958 1.00 0.00 O ATOM 38 CB GLN A 3 -1.942 -0.247 9.914 1.00 0.00 C ATOM 39 CG GLN A 3 -0.933 -0.552 11.023 1.00 0.00 C ATOM 40 CD GLN A 3 0.367 0.226 10.811 1.00 0.00 C ATOM 41 OE1 GLN A 3 0.435 1.175 10.047 1.00 0.00 O ATOM 42 NE2 GLN A 3 1.392 -0.226 11.527 1.00 0.00 N ATOM 0 H GLN A 3 -3.317 -1.962 11.554 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.338 -1.268 8.670 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.415 0.088 9.020 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.594 0.569 10.225 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.362 -0.293 11.991 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.722 -1.621 11.043 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.267 -1.025 12.148 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.303 0.227 11.455 1.00 0.00 H new ATOM 51 N ASN A 4 -0.948 -2.527 8.424 1.00 0.00 N ATOM 52 CA ASN A 4 -0.030 -3.601 8.084 1.00 0.00 C ATOM 53 C ASN A 4 1.255 -3.003 7.505 1.00 0.00 C ATOM 54 O ASN A 4 1.207 -2.205 6.571 1.00 0.00 O ATOM 55 CB ASN A 4 -0.634 -4.531 7.031 1.00 0.00 C ATOM 56 CG ASN A 4 -0.959 -5.901 7.631 1.00 0.00 C ATOM 57 OD1 ASN A 4 -0.777 -6.936 7.013 1.00 0.00 O ATOM 58 ND2 ASN A 4 -1.448 -5.847 8.866 1.00 0.00 N ATOM 0 H ASN A 4 -0.798 -1.659 7.910 1.00 0.00 H new ATOM 0 HA ASN A 4 0.174 -4.169 8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.541 -4.084 6.623 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.064 -4.649 6.202 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.696 -6.707 9.354 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.575 -4.945 9.325 1.00 0.00 H new ATOM 65 N SER A 5 2.374 -3.412 8.086 1.00 0.00 N ATOM 66 CA SER A 5 3.669 -2.927 7.640 1.00 0.00 C ATOM 67 C SER A 5 4.328 -3.961 6.726 1.00 0.00 C ATOM 68 O SER A 5 4.018 -5.148 6.801 1.00 0.00 O ATOM 69 CB SER A 5 4.579 -2.613 8.830 1.00 0.00 C ATOM 70 OG SER A 5 3.897 -2.751 10.073 1.00 0.00 O ATOM 0 H SER A 5 2.410 -4.074 8.861 1.00 0.00 H new ATOM 0 HA SER A 5 3.515 -2.004 7.082 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.441 -3.280 8.813 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.961 -1.596 8.737 1.00 0.00 H new ATOM 0 HG SER A 5 4.511 -2.544 10.808 1.00 0.00 H new ATOM 76 N TYR A 6 5.226 -3.472 5.884 1.00 0.00 N ATOM 77 CA TYR A 6 5.933 -4.340 4.956 1.00 0.00 C ATOM 78 C TYR A 6 7.277 -3.731 4.552 1.00 0.00 C ATOM 79 O TYR A 6 7.610 -2.621 4.965 1.00 0.00 O ATOM 80 CB TYR A 6 5.042 -4.447 3.717 1.00 0.00 C ATOM 81 CG TYR A 6 3.646 -5.004 4.002 1.00 0.00 C ATOM 82 CD1 TYR A 6 3.505 -6.236 4.607 1.00 0.00 C ATOM 83 CD2 TYR A 6 2.527 -4.276 3.652 1.00 0.00 C ATOM 84 CE1 TYR A 6 2.191 -6.762 4.874 1.00 0.00 C ATOM 85 CE2 TYR A 6 1.213 -4.801 3.919 1.00 0.00 C ATOM 86 CZ TYR A 6 1.111 -6.019 4.517 1.00 0.00 C ATOM 87 OH TYR A 6 -0.130 -6.515 4.770 1.00 0.00 O ATOM 0 H TYR A 6 5.481 -2.486 5.824 1.00 0.00 H new ATOM 0 HA TYR A 6 6.132 -5.309 5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.943 -3.459 3.267 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.534 -5.085 2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.380 -6.806 4.881 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.637 -3.312 3.178 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.067 -7.725 5.347 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.329 -4.241 3.651 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.175 -6.827 5.698 1.00 0.00 H new ATOM 97 N VAL A 7 8.014 -4.484 3.749 1.00 0.00 N ATOM 98 CA VAL A 7 9.315 -4.033 3.284 1.00 0.00 C ATOM 99 C VAL A 7 9.395 -4.200 1.765 1.00 0.00 C ATOM 100 O VAL A 7 8.978 -5.225 1.227 1.00 0.00 O ATOM 101 CB VAL A 7 10.424 -4.781 4.027 1.00 0.00 C ATOM 102 CG1 VAL A 7 9.847 -5.912 4.879 1.00 0.00 C ATOM 103 CG2 VAL A 7 11.477 -5.310 3.051 1.00 0.00 C ATOM 0 H VAL A 7 7.735 -5.404 3.408 1.00 0.00 H new ATOM 0 HA VAL A 7 9.453 -2.974 3.502 1.00 0.00 H new ATOM 0 HB VAL A 7 10.914 -4.075 4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.656 -6.427 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.154 -5.498 5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.319 -6.618 4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.254 -5.837 3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.007 -5.994 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.921 -4.476 2.508 1.00 0.00 H new ATOM 113 N ILE A 8 9.934 -3.178 1.117 1.00 0.00 N ATOM 114 CA ILE A 8 10.074 -3.199 -0.329 1.00 0.00 C ATOM 115 C ILE A 8 11.294 -4.041 -0.707 1.00 0.00 C ATOM 116 O ILE A 8 12.392 -3.813 -0.199 1.00 0.00 O ATOM 117 CB ILE A 8 10.116 -1.774 -0.884 1.00 0.00 C ATOM 118 CG1 ILE A 8 8.848 -1.003 -0.509 1.00 0.00 C ATOM 119 CG2 ILE A 8 10.357 -1.781 -2.395 1.00 0.00 C ATOM 120 CD1 ILE A 8 7.593 -1.790 -0.893 1.00 0.00 C ATOM 0 H ILE A 8 10.279 -2.330 1.567 1.00 0.00 H new ATOM 0 HA ILE A 8 9.205 -3.671 -0.788 1.00 0.00 H new ATOM 0 HB ILE A 8 10.957 -1.253 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.843 -0.804 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.844 -0.036 -1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.382 -0.756 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.309 -2.268 -2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.552 -2.325 -2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.707 -1.219 -0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.589 -1.966 -1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.588 -2.746 -0.369 1.00 0.00 H new ATOM 132 N ILE A 9 11.061 -4.997 -1.594 1.00 0.00 N ATOM 133 CA ILE A 9 12.128 -5.875 -2.045 1.00 0.00 C ATOM 134 C ILE A 9 12.277 -5.752 -3.563 1.00 0.00 C ATOM 135 O ILE A 9 13.142 -6.391 -4.159 1.00 0.00 O ATOM 136 CB ILE A 9 11.883 -7.307 -1.565 1.00 0.00 C ATOM 137 CG1 ILE A 9 10.670 -7.920 -2.266 1.00 0.00 C ATOM 138 CG2 ILE A 9 11.753 -7.360 -0.042 1.00 0.00 C ATOM 139 CD1 ILE A 9 10.732 -9.447 -2.236 1.00 0.00 C ATOM 0 H ILE A 9 10.150 -5.183 -2.012 1.00 0.00 H new ATOM 0 HA ILE A 9 13.079 -5.575 -1.606 1.00 0.00 H new ATOM 0 HB ILE A 9 12.749 -7.911 -1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.755 -7.580 -1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.630 -7.575 -3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.579 -8.389 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.671 -6.991 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.915 -6.738 0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.857 -9.857 -2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.636 -9.784 -2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.747 -9.790 -1.202 1.00 0.00 H new ATOM 151 N ASP A 10 11.420 -4.925 -4.144 1.00 0.00 N ATOM 152 CA ASP A 10 11.444 -4.710 -5.581 1.00 0.00 C ATOM 153 C ASP A 10 12.307 -3.486 -5.893 1.00 0.00 C ATOM 154 O ASP A 10 12.078 -2.406 -5.352 1.00 0.00 O ATOM 155 CB ASP A 10 10.038 -4.448 -6.123 1.00 0.00 C ATOM 156 CG ASP A 10 9.962 -4.191 -7.629 1.00 0.00 C ATOM 157 OD1 ASP A 10 10.980 -4.239 -8.336 1.00 0.00 O ATOM 158 OD2 ASP A 10 8.783 -3.927 -8.079 1.00 0.00 O ATOM 0 H ASP A 10 10.705 -4.396 -3.646 1.00 0.00 H new ATOM 0 HA ASP A 10 11.849 -5.607 -6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.408 -5.304 -5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.619 -3.588 -5.601 1.00 0.00 H new ATOM 164 N GLU A 11 13.282 -3.697 -6.767 1.00 0.00 N ATOM 165 CA GLU A 11 14.181 -2.624 -7.158 1.00 0.00 C ATOM 166 C GLU A 11 13.430 -1.580 -7.988 1.00 0.00 C ATOM 167 O GLU A 11 13.979 -0.527 -8.309 1.00 0.00 O ATOM 168 CB GLU A 11 15.386 -3.171 -7.924 1.00 0.00 C ATOM 169 CG GLU A 11 15.095 -3.244 -9.425 1.00 0.00 C ATOM 170 CD GLU A 11 15.410 -1.912 -10.109 1.00 0.00 C ATOM 171 OE1 GLU A 11 16.417 -1.268 -9.779 1.00 0.00 O ATOM 172 OE2 GLU A 11 14.565 -1.551 -11.015 1.00 0.00 O ATOM 0 H GLU A 11 13.468 -4.594 -7.215 1.00 0.00 H new ATOM 0 HA GLU A 11 14.555 -2.141 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.253 -2.534 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.639 -4.163 -7.550 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.689 -4.038 -9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.048 -3.500 -9.584 1.00 0.00 H new ATOM 180 N THR A 12 12.188 -1.909 -8.311 1.00 0.00 N ATOM 181 CA THR A 12 11.358 -1.013 -9.098 1.00 0.00 C ATOM 182 C THR A 12 10.577 -0.069 -8.182 1.00 0.00 C ATOM 183 O THR A 12 10.021 0.928 -8.641 1.00 0.00 O ATOM 184 CB THR A 12 10.463 -1.867 -9.999 1.00 0.00 C ATOM 185 OG1 THR A 12 11.378 -2.665 -10.742 1.00 0.00 O ATOM 186 CG2 THR A 12 9.741 -1.037 -11.063 1.00 0.00 C ATOM 0 H THR A 12 11.737 -2.783 -8.042 1.00 0.00 H new ATOM 0 HA THR A 12 11.964 -0.369 -9.735 1.00 0.00 H new ATOM 0 HB THR A 12 9.728 -2.392 -9.388 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.579 -3.483 -10.242 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.120 -1.691 -11.675 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.113 -0.290 -10.577 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.475 -0.538 -11.695 1.00 0.00 H new ATOM 194 N GLY A 13 10.557 -0.418 -6.904 1.00 0.00 N ATOM 195 CA GLY A 13 9.852 0.386 -5.920 1.00 0.00 C ATOM 196 C GLY A 13 8.391 0.592 -6.324 1.00 0.00 C ATOM 197 O GLY A 13 8.109 1.174 -7.371 1.00 0.00 O ATOM 0 H GLY A 13 11.018 -1.246 -6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.898 -0.102 -4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.344 1.353 -5.816 1.00 0.00 H new ATOM 201 N ILE A 14 7.500 0.102 -5.474 1.00 0.00 N ATOM 202 CA ILE A 14 6.075 0.225 -5.730 1.00 0.00 C ATOM 203 C ILE A 14 5.838 1.356 -6.733 1.00 0.00 C ATOM 204 O ILE A 14 5.997 2.529 -6.401 1.00 0.00 O ATOM 205 CB ILE A 14 5.308 0.397 -4.417 1.00 0.00 C ATOM 206 CG1 ILE A 14 4.457 -0.838 -4.114 1.00 0.00 C ATOM 207 CG2 ILE A 14 4.473 1.678 -4.432 1.00 0.00 C ATOM 208 CD1 ILE A 14 3.026 -0.656 -4.623 1.00 0.00 C ATOM 0 H ILE A 14 7.738 -0.381 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 14 5.688 -0.689 -6.181 1.00 0.00 H new ATOM 0 HB ILE A 14 6.033 0.496 -3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.904 -1.716 -4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.444 -1.020 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.939 1.775 -3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.129 2.538 -4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.756 1.635 -5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.442 -1.548 -4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.574 0.208 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.041 -0.498 -5.701 1.00 0.00 H new ATOM 220 N HIS A 15 5.459 0.962 -7.940 1.00 0.00 N ATOM 221 CA HIS A 15 5.197 1.927 -8.994 1.00 0.00 C ATOM 222 C HIS A 15 3.692 2.009 -9.253 1.00 0.00 C ATOM 223 O HIS A 15 2.894 1.503 -8.465 1.00 0.00 O ATOM 224 CB HIS A 15 5.997 1.589 -10.253 1.00 0.00 C ATOM 225 CG HIS A 15 6.305 0.118 -10.407 1.00 0.00 C ATOM 226 ND1 HIS A 15 5.857 -0.632 -11.480 1.00 0.00 N ATOM 227 CD2 HIS A 15 7.020 -0.731 -9.615 1.00 0.00 C ATOM 228 CE1 HIS A 15 6.288 -1.876 -11.330 1.00 0.00 C ATOM 229 NE2 HIS A 15 7.008 -1.935 -10.173 1.00 0.00 N ATOM 0 H HIS A 15 5.327 -0.012 -8.211 1.00 0.00 H new ATOM 0 HA HIS A 15 5.531 2.915 -8.677 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.440 1.927 -11.127 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.934 2.146 -10.237 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.513 -0.468 -8.690 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.102 -2.698 -12.005 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.463 -2.768 -9.798 1.00 0.00 H new ATOM 237 N ALA A 16 3.347 2.650 -10.359 1.00 0.00 N ATOM 238 CA ALA A 16 1.951 2.805 -10.732 1.00 0.00 C ATOM 239 C ALA A 16 1.365 1.434 -11.075 1.00 0.00 C ATOM 240 O ALA A 16 0.161 1.218 -10.941 1.00 0.00 O ATOM 241 CB ALA A 16 1.839 3.794 -11.894 1.00 0.00 C ATOM 0 H ALA A 16 4.011 3.069 -11.010 1.00 0.00 H new ATOM 0 HA ALA A 16 1.375 3.212 -9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.792 3.910 -12.173 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.243 4.760 -11.590 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.403 3.418 -12.748 1.00 0.00 H new ATOM 247 N ARG A 17 2.243 0.542 -11.512 1.00 0.00 N ATOM 248 CA ARG A 17 1.827 -0.802 -11.874 1.00 0.00 C ATOM 249 C ARG A 17 1.149 -1.487 -10.686 1.00 0.00 C ATOM 250 O ARG A 17 -0.042 -1.792 -10.737 1.00 0.00 O ATOM 251 CB ARG A 17 3.022 -1.645 -12.325 1.00 0.00 C ATOM 252 CG ARG A 17 2.938 -1.958 -13.821 1.00 0.00 C ATOM 253 CD ARG A 17 3.763 -3.198 -14.169 1.00 0.00 C ATOM 254 NE ARG A 17 3.593 -3.535 -15.600 1.00 0.00 N ATOM 255 CZ ARG A 17 4.172 -2.863 -16.604 1.00 0.00 C ATOM 256 NH1 ARG A 17 4.963 -1.814 -16.340 1.00 0.00 N ATOM 257 NH2 ARG A 17 3.960 -3.240 -17.872 1.00 0.00 N ATOM 0 H ARG A 17 3.240 0.724 -11.623 1.00 0.00 H new ATOM 0 HA ARG A 17 1.121 -0.719 -12.701 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.949 -1.112 -12.113 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.051 -2.574 -11.756 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.898 -2.118 -14.105 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.298 -1.104 -14.395 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.816 -3.017 -13.952 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.450 -4.038 -13.549 1.00 0.00 H new ATOM 0 HE ARG A 17 2.998 -4.329 -15.837 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.124 -1.527 -15.375 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.404 -1.302 -17.104 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.358 -4.038 -18.073 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.401 -2.729 -18.637 1.00 0.00 H new ATOM 271 N PRO A 18 1.957 -1.714 -9.615 1.00 0.00 N ATOM 272 CA PRO A 18 1.447 -2.357 -8.416 1.00 0.00 C ATOM 273 C PRO A 18 0.583 -1.393 -7.602 1.00 0.00 C ATOM 274 O PRO A 18 -0.526 -1.737 -7.197 1.00 0.00 O ATOM 275 CB PRO A 18 2.682 -2.826 -7.666 1.00 0.00 C ATOM 276 CG PRO A 18 3.844 -2.024 -8.233 1.00 0.00 C ATOM 277 CD PRO A 18 3.371 -1.367 -9.519 1.00 0.00 C ATOM 0 HA PRO A 18 0.789 -3.197 -8.637 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.576 -2.656 -6.595 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.841 -3.895 -7.805 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.173 -1.270 -7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.698 -2.673 -8.427 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.512 -0.287 -9.487 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.928 -1.736 -10.380 1.00 0.00 H new ATOM 285 N ALA A 19 1.123 -0.203 -7.386 1.00 0.00 N ATOM 286 CA ALA A 19 0.415 0.815 -6.628 1.00 0.00 C ATOM 287 C ALA A 19 -1.057 0.823 -7.044 1.00 0.00 C ATOM 288 O ALA A 19 -1.935 1.100 -6.228 1.00 0.00 O ATOM 289 CB ALA A 19 1.089 2.172 -6.841 1.00 0.00 C ATOM 0 H ALA A 19 2.043 0.080 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 19 0.455 0.596 -5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.558 2.935 -6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.124 2.121 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.066 2.427 -7.900 1.00 0.00 H new ATOM 295 N THR A 20 -1.282 0.515 -8.313 1.00 0.00 N ATOM 296 CA THR A 20 -2.632 0.483 -8.848 1.00 0.00 C ATOM 297 C THR A 20 -3.429 -0.660 -8.217 1.00 0.00 C ATOM 298 O THR A 20 -4.493 -0.438 -7.642 1.00 0.00 O ATOM 299 CB THR A 20 -2.537 0.390 -10.371 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.678 1.737 -10.812 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.734 -0.334 -10.990 1.00 0.00 C ATOM 0 H THR A 20 -0.551 0.285 -8.986 1.00 0.00 H new ATOM 0 HA THR A 20 -3.177 1.393 -8.599 1.00 0.00 H new ATOM 0 HB THR A 20 -1.619 -0.129 -10.645 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.797 2.099 -11.044 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.616 -0.372 -12.073 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.790 -1.348 -10.595 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.651 0.202 -10.744 1.00 0.00 H new ATOM 309 N MET A 21 -2.882 -1.861 -8.347 1.00 0.00 N ATOM 310 CA MET A 21 -3.528 -3.041 -7.797 1.00 0.00 C ATOM 311 C MET A 21 -3.780 -2.878 -6.297 1.00 0.00 C ATOM 312 O MET A 21 -4.865 -3.193 -5.809 1.00 0.00 O ATOM 313 CB MET A 21 -2.644 -4.266 -8.036 1.00 0.00 C ATOM 314 CG MET A 21 -2.481 -4.540 -9.533 1.00 0.00 C ATOM 315 SD MET A 21 -2.012 -6.242 -9.795 1.00 0.00 S ATOM 316 CE MET A 21 -3.612 -6.955 -10.137 1.00 0.00 C ATOM 0 H MET A 21 -1.999 -2.042 -8.825 1.00 0.00 H new ATOM 0 HA MET A 21 -4.488 -3.173 -8.296 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.665 -4.107 -7.583 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.083 -5.137 -7.549 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.415 -4.327 -10.054 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.724 -3.877 -9.952 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.502 -8.023 -10.325 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.269 -6.803 -9.280 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.044 -6.475 -11.015 1.00 0.00 H new ATOM 326 N LEU A 22 -2.761 -2.389 -5.607 1.00 0.00 N ATOM 327 CA LEU A 22 -2.858 -2.181 -4.172 1.00 0.00 C ATOM 328 C LEU A 22 -3.966 -1.166 -3.882 1.00 0.00 C ATOM 329 O LEU A 22 -4.825 -1.405 -3.034 1.00 0.00 O ATOM 330 CB LEU A 22 -1.497 -1.789 -3.594 1.00 0.00 C ATOM 331 CG LEU A 22 -0.998 -2.634 -2.421 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.360 -3.934 -2.913 1.00 0.00 C ATOM 333 CD2 LEU A 22 -0.046 -1.830 -1.532 1.00 0.00 C ATOM 0 H LEU A 22 -1.863 -2.130 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.136 -3.108 -3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.757 -1.839 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.547 -0.749 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.857 -2.909 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.014 -4.516 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.096 -4.512 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.486 -3.702 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.294 -2.454 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.813 -1.505 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.566 -0.957 -1.137 1.00 0.00 H new ATOM 345 N VAL A 23 -3.909 -0.055 -4.601 1.00 0.00 N ATOM 346 CA VAL A 23 -4.897 0.997 -4.432 1.00 0.00 C ATOM 347 C VAL A 23 -6.270 0.474 -4.857 1.00 0.00 C ATOM 348 O VAL A 23 -7.274 0.752 -4.202 1.00 0.00 O ATOM 349 CB VAL A 23 -4.468 2.247 -5.203 1.00 0.00 C ATOM 350 CG1 VAL A 23 -5.685 3.017 -5.719 1.00 0.00 C ATOM 351 CG2 VAL A 23 -3.576 3.143 -4.342 1.00 0.00 C ATOM 0 H VAL A 23 -3.194 0.140 -5.302 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.970 1.288 -3.384 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.885 1.925 -6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.352 3.901 -6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.265 2.378 -6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.306 3.322 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.285 4.024 -4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.123 3.453 -3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.683 2.592 -4.046 1.00 0.00 H new ATOM 361 N GLN A 24 -6.272 -0.272 -5.951 1.00 0.00 N ATOM 362 CA GLN A 24 -7.505 -0.836 -6.471 1.00 0.00 C ATOM 363 C GLN A 24 -8.127 -1.788 -5.448 1.00 0.00 C ATOM 364 O GLN A 24 -9.224 -1.540 -4.950 1.00 0.00 O ATOM 365 CB GLN A 24 -7.264 -1.546 -7.805 1.00 0.00 C ATOM 366 CG GLN A 24 -8.500 -1.463 -8.703 1.00 0.00 C ATOM 367 CD GLN A 24 -8.135 -1.725 -10.165 1.00 0.00 C ATOM 368 OE1 GLN A 24 -8.401 -2.779 -10.719 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.511 -0.711 -10.757 1.00 0.00 N ATOM 0 H GLN A 24 -5.438 -0.499 -6.492 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.206 -0.021 -6.652 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.411 -1.095 -8.312 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.011 -2.591 -7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.242 -2.190 -8.374 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.956 -0.477 -8.609 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.319 0.144 -10.235 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.225 -0.788 -11.733 1.00 0.00 H new ATOM 378 N THR A 25 -7.399 -2.857 -5.162 1.00 0.00 N ATOM 379 CA THR A 25 -7.865 -3.848 -4.207 1.00 0.00 C ATOM 380 C THR A 25 -8.191 -3.184 -2.867 1.00 0.00 C ATOM 381 O THR A 25 -9.097 -3.620 -2.159 1.00 0.00 O ATOM 382 CB THR A 25 -6.800 -4.941 -4.101 1.00 0.00 C ATOM 383 OG1 THR A 25 -7.343 -6.028 -4.844 1.00 0.00 O ATOM 384 CG2 THR A 25 -6.666 -5.491 -2.680 1.00 0.00 C ATOM 0 H THR A 25 -6.489 -3.059 -5.575 1.00 0.00 H new ATOM 0 HA THR A 25 -8.794 -4.312 -4.539 1.00 0.00 H new ATOM 0 HB THR A 25 -5.839 -4.545 -4.429 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.715 -6.780 -4.829 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.897 -6.263 -2.660 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.387 -4.684 -2.002 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.618 -5.918 -2.364 1.00 0.00 H new ATOM 392 N ALA A 26 -7.434 -2.140 -2.561 1.00 0.00 N ATOM 393 CA ALA A 26 -7.630 -1.413 -1.319 1.00 0.00 C ATOM 394 C ALA A 26 -8.964 -0.665 -1.377 1.00 0.00 C ATOM 395 O ALA A 26 -9.696 -0.617 -0.389 1.00 0.00 O ATOM 396 CB ALA A 26 -6.445 -0.474 -1.085 1.00 0.00 C ATOM 0 H ALA A 26 -6.684 -1.781 -3.152 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.673 -2.100 -0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.592 0.072 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.526 -1.057 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.372 0.233 -1.912 1.00 0.00 H new ATOM 402 N SER A 27 -9.240 -0.100 -2.544 1.00 0.00 N ATOM 403 CA SER A 27 -10.472 0.643 -2.742 1.00 0.00 C ATOM 404 C SER A 27 -11.641 -0.325 -2.932 1.00 0.00 C ATOM 405 O SER A 27 -12.719 -0.118 -2.378 1.00 0.00 O ATOM 406 CB SER A 27 -10.360 1.583 -3.944 1.00 0.00 C ATOM 407 OG SER A 27 -10.790 0.960 -5.152 1.00 0.00 O ATOM 0 H SER A 27 -8.631 -0.142 -3.361 1.00 0.00 H new ATOM 0 HA SER A 27 -10.652 1.251 -1.855 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.959 2.475 -3.763 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.326 1.910 -4.053 1.00 0.00 H new ATOM 0 HG SER A 27 -10.247 0.161 -5.319 1.00 0.00 H new ATOM 413 N LYS A 28 -11.388 -1.360 -3.720 1.00 0.00 N ATOM 414 CA LYS A 28 -12.408 -2.361 -3.991 1.00 0.00 C ATOM 415 C LYS A 28 -13.251 -2.577 -2.733 1.00 0.00 C ATOM 416 O LYS A 28 -14.459 -2.792 -2.820 1.00 0.00 O ATOM 417 CB LYS A 28 -11.770 -3.642 -4.531 1.00 0.00 C ATOM 418 CG LYS A 28 -11.088 -3.389 -5.878 1.00 0.00 C ATOM 419 CD LYS A 28 -12.033 -3.707 -7.039 1.00 0.00 C ATOM 420 CE LYS A 28 -11.255 -3.901 -8.341 1.00 0.00 C ATOM 421 NZ LYS A 28 -9.992 -4.630 -8.088 1.00 0.00 N ATOM 0 H LYS A 28 -10.493 -1.528 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.084 -2.015 -4.773 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.040 -4.019 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.533 -4.413 -4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.769 -2.348 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.191 -4.003 -5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.602 -4.609 -6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.753 -2.898 -7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.864 -4.454 -9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.038 -2.932 -8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.604 -4.975 -8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.306 -3.991 -7.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.177 -5.437 -7.459 1.00 0.00 H new ATOM 435 N PHE A 29 -12.580 -2.512 -1.591 1.00 0.00 N ATOM 436 CA PHE A 29 -13.253 -2.698 -0.317 1.00 0.00 C ATOM 437 C PHE A 29 -13.987 -1.424 0.107 1.00 0.00 C ATOM 438 O PHE A 29 -14.310 -0.583 -0.729 1.00 0.00 O ATOM 439 CB PHE A 29 -12.171 -3.016 0.717 1.00 0.00 C ATOM 440 CG PHE A 29 -11.429 -4.328 0.456 1.00 0.00 C ATOM 441 CD1 PHE A 29 -12.073 -5.516 0.603 1.00 0.00 C ATOM 442 CD2 PHE A 29 -10.122 -4.306 0.077 1.00 0.00 C ATOM 443 CE1 PHE A 29 -11.383 -6.734 0.361 1.00 0.00 C ATOM 444 CE2 PHE A 29 -9.433 -5.523 -0.165 1.00 0.00 C ATOM 445 CZ PHE A 29 -10.077 -6.711 -0.018 1.00 0.00 C ATOM 0 H PHE A 29 -11.578 -2.333 -1.522 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.988 -3.499 -0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.449 -2.199 0.736 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.629 -3.059 1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.110 -5.534 0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.609 -3.363 -0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.895 -7.678 0.478 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.396 -5.505 -0.466 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.552 -7.636 -0.202 1.00 0.00 H new ATOM 455 N ASP A 30 -14.229 -1.323 1.406 1.00 0.00 N ATOM 456 CA ASP A 30 -14.920 -0.166 1.949 1.00 0.00 C ATOM 457 C ASP A 30 -14.038 0.495 3.012 1.00 0.00 C ATOM 458 O ASP A 30 -13.895 1.716 3.032 1.00 0.00 O ATOM 459 CB ASP A 30 -16.236 -0.573 2.615 1.00 0.00 C ATOM 460 CG ASP A 30 -16.801 0.444 3.609 1.00 0.00 C ATOM 461 OD1 ASP A 30 -17.338 1.491 3.215 1.00 0.00 O ATOM 462 OD2 ASP A 30 -16.669 0.123 4.850 1.00 0.00 O ATOM 0 H ASP A 30 -13.959 -2.023 2.097 1.00 0.00 H new ATOM 0 HA ASP A 30 -15.128 0.520 1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.979 -0.750 1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -16.085 -1.520 3.134 1.00 0.00 H new ATOM 468 N SER A 31 -13.472 -0.342 3.868 1.00 0.00 N ATOM 469 CA SER A 31 -12.608 0.145 4.931 1.00 0.00 C ATOM 470 C SER A 31 -11.761 1.314 4.422 1.00 0.00 C ATOM 471 O SER A 31 -11.466 1.399 3.230 1.00 0.00 O ATOM 472 CB SER A 31 -11.708 -0.970 5.465 1.00 0.00 C ATOM 473 OG SER A 31 -11.921 -2.201 4.782 1.00 0.00 O ATOM 0 H SER A 31 -13.594 -1.354 3.848 1.00 0.00 H new ATOM 0 HA SER A 31 -13.237 0.490 5.752 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.664 -0.674 5.362 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.896 -1.109 6.530 1.00 0.00 H new ATOM 0 HG SER A 31 -11.581 -2.130 3.866 1.00 0.00 H new ATOM 479 N ASP A 32 -11.393 2.184 5.350 1.00 0.00 N ATOM 480 CA ASP A 32 -10.585 3.344 5.011 1.00 0.00 C ATOM 481 C ASP A 32 -9.105 2.996 5.181 1.00 0.00 C ATOM 482 O ASP A 32 -8.500 3.323 6.201 1.00 0.00 O ATOM 483 CB ASP A 32 -10.902 4.524 5.930 1.00 0.00 C ATOM 484 CG ASP A 32 -10.522 5.898 5.374 1.00 0.00 C ATOM 485 OD1 ASP A 32 -9.336 6.254 5.308 1.00 0.00 O ATOM 486 OD2 ASP A 32 -11.515 6.627 4.991 1.00 0.00 O ATOM 0 H ASP A 32 -11.639 2.110 6.337 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.808 3.620 3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.970 4.519 6.147 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.384 4.376 6.878 1.00 0.00 H new ATOM 492 N ILE A 33 -8.564 2.338 4.166 1.00 0.00 N ATOM 493 CA ILE A 33 -7.166 1.942 4.191 1.00 0.00 C ATOM 494 C ILE A 33 -6.293 3.149 3.841 1.00 0.00 C ATOM 495 O ILE A 33 -6.698 4.009 3.061 1.00 0.00 O ATOM 496 CB ILE A 33 -6.936 0.733 3.283 1.00 0.00 C ATOM 497 CG1 ILE A 33 -7.913 -0.396 3.615 1.00 0.00 C ATOM 498 CG2 ILE A 33 -5.479 0.268 3.347 1.00 0.00 C ATOM 499 CD1 ILE A 33 -8.855 -0.669 2.441 1.00 0.00 C ATOM 0 H ILE A 33 -9.068 2.069 3.321 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.879 1.619 5.192 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.132 1.036 2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.358 -1.302 3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.494 -0.131 4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.343 -0.593 2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.824 1.077 3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.231 -0.012 4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.539 -1.476 2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.426 0.232 2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.272 -0.958 1.566 1.00 0.00 H new ATOM 511 N GLN A 34 -5.110 3.175 4.438 1.00 0.00 N ATOM 512 CA GLN A 34 -4.175 4.262 4.200 1.00 0.00 C ATOM 513 C GLN A 34 -2.751 3.720 4.073 1.00 0.00 C ATOM 514 O GLN A 34 -2.361 2.812 4.806 1.00 0.00 O ATOM 515 CB GLN A 34 -4.265 5.314 5.307 1.00 0.00 C ATOM 516 CG GLN A 34 -2.894 5.563 5.939 1.00 0.00 C ATOM 517 CD GLN A 34 -2.944 6.745 6.910 1.00 0.00 C ATOM 518 OE1 GLN A 34 -2.928 6.590 8.120 1.00 0.00 O ATOM 519 NE2 GLN A 34 -3.005 7.933 6.313 1.00 0.00 N ATOM 0 H GLN A 34 -4.778 2.461 5.086 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.443 4.746 3.261 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.655 6.246 4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.967 4.983 6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.565 4.668 6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.160 5.760 5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.015 7.992 5.295 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.042 8.784 6.874 1.00 0.00 H new ATOM 528 N LEU A 35 -2.012 4.299 3.138 1.00 0.00 N ATOM 529 CA LEU A 35 -0.639 3.884 2.906 1.00 0.00 C ATOM 530 C LEU A 35 0.291 4.677 3.827 1.00 0.00 C ATOM 531 O LEU A 35 -0.021 5.804 4.211 1.00 0.00 O ATOM 532 CB LEU A 35 -0.286 4.007 1.423 1.00 0.00 C ATOM 533 CG LEU A 35 0.875 3.137 0.935 1.00 0.00 C ATOM 534 CD1 LEU A 35 0.902 3.064 -0.592 1.00 0.00 C ATOM 535 CD2 LEU A 35 2.206 3.626 1.510 1.00 0.00 C ATOM 0 H LEU A 35 -2.338 5.052 2.532 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.512 2.830 3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.171 3.759 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.047 5.049 1.212 1.00 0.00 H new ATOM 0 HG LEU A 35 0.719 2.123 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.736 2.440 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.032 2.633 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.021 4.067 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.014 2.991 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.383 4.654 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.170 3.582 2.599 1.00 0.00 H new ATOM 547 N GLU A 36 1.416 4.057 4.156 1.00 0.00 N ATOM 548 CA GLU A 36 2.392 4.691 5.025 1.00 0.00 C ATOM 549 C GLU A 36 3.807 4.254 4.640 1.00 0.00 C ATOM 550 O GLU A 36 4.011 3.128 4.188 1.00 0.00 O ATOM 551 CB GLU A 36 2.103 4.380 6.495 1.00 0.00 C ATOM 552 CG GLU A 36 3.292 4.756 7.380 1.00 0.00 C ATOM 553 CD GLU A 36 3.104 4.230 8.804 1.00 0.00 C ATOM 554 OE1 GLU A 36 2.988 3.012 9.005 1.00 0.00 O ATOM 555 OE2 GLU A 36 3.081 5.136 9.722 1.00 0.00 O ATOM 0 H GLU A 36 1.672 3.123 3.836 1.00 0.00 H new ATOM 0 HA GLU A 36 2.317 5.771 4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.217 4.927 6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.882 3.319 6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.209 4.347 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.406 5.840 7.401 1.00 0.00 H new ATOM 563 N TYR A 37 4.747 5.167 4.834 1.00 0.00 N ATOM 564 CA TYR A 37 6.137 4.889 4.514 1.00 0.00 C ATOM 565 C TYR A 37 7.077 5.775 5.334 1.00 0.00 C ATOM 566 O TYR A 37 7.113 6.990 5.146 1.00 0.00 O ATOM 567 CB TYR A 37 6.304 5.227 3.030 1.00 0.00 C ATOM 568 CG TYR A 37 7.744 5.124 2.526 1.00 0.00 C ATOM 569 CD1 TYR A 37 8.627 4.254 3.132 1.00 0.00 C ATOM 570 CD2 TYR A 37 8.161 5.903 1.466 1.00 0.00 C ATOM 571 CE1 TYR A 37 9.983 4.158 2.658 1.00 0.00 C ATOM 572 CE2 TYR A 37 9.517 5.806 0.991 1.00 0.00 C ATOM 573 CZ TYR A 37 10.361 4.938 1.611 1.00 0.00 C ATOM 574 OH TYR A 37 11.642 4.847 1.162 1.00 0.00 O ATOM 0 H TYR A 37 4.574 6.100 5.209 1.00 0.00 H new ATOM 0 HA TYR A 37 6.381 3.850 4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.676 4.557 2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.941 6.240 2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.301 3.645 3.962 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.470 6.585 0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.684 3.481 3.124 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.856 6.409 0.161 1.00 0.00 H new ATOM 0 HH TYR A 37 11.769 5.461 0.409 1.00 0.00 H new ATOM 584 N ASN A 38 7.814 5.132 6.228 1.00 0.00 N ATOM 585 CA ASN A 38 8.751 5.846 7.078 1.00 0.00 C ATOM 586 C ASN A 38 8.034 7.023 7.744 1.00 0.00 C ATOM 587 O ASN A 38 8.537 8.146 7.735 1.00 0.00 O ATOM 588 CB ASN A 38 9.920 6.405 6.263 1.00 0.00 C ATOM 589 CG ASN A 38 9.427 7.394 5.206 1.00 0.00 C ATOM 590 OD1 ASN A 38 8.911 8.458 5.507 1.00 0.00 O ATOM 591 ND2 ASN A 38 9.615 6.987 3.953 1.00 0.00 N ATOM 0 H ASN A 38 7.781 4.124 6.382 1.00 0.00 H new ATOM 0 HA ASN A 38 9.132 5.146 7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.628 6.900 6.928 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.455 5.587 5.780 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.321 7.578 3.175 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.053 6.084 3.770 1.00 0.00 H new ATOM 598 N GLY A 39 6.872 6.725 8.306 1.00 0.00 N ATOM 599 CA GLY A 39 6.082 7.744 8.975 1.00 0.00 C ATOM 600 C GLY A 39 5.349 8.624 7.960 1.00 0.00 C ATOM 601 O GLY A 39 4.679 9.585 8.335 1.00 0.00 O ATOM 0 H GLY A 39 6.459 5.792 8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.360 7.271 9.640 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.730 8.362 9.596 1.00 0.00 H new ATOM 605 N LYS A 40 5.502 8.265 6.695 1.00 0.00 N ATOM 606 CA LYS A 40 4.863 9.010 5.622 1.00 0.00 C ATOM 607 C LYS A 40 3.583 8.287 5.197 1.00 0.00 C ATOM 608 O LYS A 40 3.619 7.409 4.336 1.00 0.00 O ATOM 609 CB LYS A 40 5.847 9.246 4.474 1.00 0.00 C ATOM 610 CG LYS A 40 5.964 10.737 4.151 1.00 0.00 C ATOM 611 CD LYS A 40 6.988 11.417 5.061 1.00 0.00 C ATOM 612 CE LYS A 40 7.140 12.897 4.706 1.00 0.00 C ATOM 613 NZ LYS A 40 6.689 13.748 5.829 1.00 0.00 N ATOM 0 H LYS A 40 6.059 7.468 6.388 1.00 0.00 H new ATOM 0 HA LYS A 40 4.569 10.001 5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.827 8.850 4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.516 8.703 3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.257 10.865 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.992 11.216 4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.677 11.319 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.952 10.916 4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.182 13.116 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.558 13.125 3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.799 14.750 5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.689 13.551 6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.262 13.543 6.672 1.00 0.00 H new ATOM 627 N LYS A 41 2.483 8.683 5.819 1.00 0.00 N ATOM 628 CA LYS A 41 1.194 8.085 5.516 1.00 0.00 C ATOM 629 C LYS A 41 0.540 8.849 4.363 1.00 0.00 C ATOM 630 O LYS A 41 0.757 10.049 4.208 1.00 0.00 O ATOM 631 CB LYS A 41 0.328 8.012 6.775 1.00 0.00 C ATOM 632 CG LYS A 41 1.088 7.348 7.926 1.00 0.00 C ATOM 633 CD LYS A 41 1.989 8.356 8.641 1.00 0.00 C ATOM 634 CE LYS A 41 1.756 8.323 10.153 1.00 0.00 C ATOM 635 NZ LYS A 41 0.573 9.136 10.513 1.00 0.00 N ATOM 0 H LYS A 41 2.458 9.412 6.532 1.00 0.00 H new ATOM 0 HA LYS A 41 1.321 7.055 5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.021 9.016 7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.582 7.450 6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.380 6.921 8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.690 6.525 7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.034 8.132 8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.793 9.359 8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.611 7.294 10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.637 8.703 10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.429 9.103 11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.725 10.121 10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.268 8.756 10.034 1.00 0.00 H new ATOM 649 N VAL A 42 -0.246 8.121 3.584 1.00 0.00 N ATOM 650 CA VAL A 42 -0.932 8.715 2.449 1.00 0.00 C ATOM 651 C VAL A 42 -2.243 7.965 2.203 1.00 0.00 C ATOM 652 O VAL A 42 -2.650 7.136 3.015 1.00 0.00 O ATOM 653 CB VAL A 42 -0.011 8.726 1.227 1.00 0.00 C ATOM 654 CG1 VAL A 42 1.455 8.596 1.645 1.00 0.00 C ATOM 655 CG2 VAL A 42 -0.399 7.626 0.238 1.00 0.00 C ATOM 0 H VAL A 42 -0.423 7.125 3.716 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.185 9.755 2.657 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.132 9.686 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.089 8.606 0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.724 9.430 2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.598 7.659 2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.271 7.656 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.321 6.654 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.425 7.783 -0.096 1.00 0.00 H new ATOM 665 N ASN A 43 -2.868 8.285 1.078 1.00 0.00 N ATOM 666 CA ASN A 43 -4.124 7.652 0.715 1.00 0.00 C ATOM 667 C ASN A 43 -3.839 6.416 -0.142 1.00 0.00 C ATOM 668 O ASN A 43 -3.304 6.531 -1.244 1.00 0.00 O ATOM 669 CB ASN A 43 -5.003 8.601 -0.102 1.00 0.00 C ATOM 670 CG ASN A 43 -6.438 8.614 0.427 1.00 0.00 C ATOM 671 OD1 ASN A 43 -7.139 7.527 0.117 1.00 0.00 O flip ATOM 672 ND2 ASN A 43 -6.879 9.548 1.076 1.00 0.00 N flip ATOM 0 H ASN A 43 -2.528 8.974 0.407 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.643 7.381 1.634 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.589 9.609 -0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.000 8.294 -1.148 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.286 10.353 1.279 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.840 9.524 1.416 1.00 0.00 H new ATOM 679 N LEU A 44 -4.209 5.264 0.397 1.00 0.00 N ATOM 680 CA LEU A 44 -4.000 4.009 -0.303 1.00 0.00 C ATOM 681 C LEU A 44 -5.032 3.877 -1.425 1.00 0.00 C ATOM 682 O LEU A 44 -5.294 2.777 -1.908 1.00 0.00 O ATOM 683 CB LEU A 44 -4.009 2.837 0.681 1.00 0.00 C ATOM 684 CG LEU A 44 -3.962 1.439 0.060 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.191 1.453 -1.261 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.388 0.421 1.048 1.00 0.00 C ATOM 0 H LEU A 44 -4.653 5.174 1.311 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.016 3.995 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.156 2.944 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.907 2.910 1.294 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.982 1.129 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.172 0.448 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.681 2.130 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.170 1.791 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.365 -0.565 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.376 0.715 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.014 0.387 1.940 1.00 0.00 H new ATOM 698 N LYS A 45 -5.591 5.016 -1.808 1.00 0.00 N ATOM 699 CA LYS A 45 -6.588 5.042 -2.864 1.00 0.00 C ATOM 700 C LYS A 45 -6.125 5.989 -3.974 1.00 0.00 C ATOM 701 O LYS A 45 -6.883 6.288 -4.895 1.00 0.00 O ATOM 702 CB LYS A 45 -7.964 5.392 -2.293 1.00 0.00 C ATOM 703 CG LYS A 45 -8.096 4.908 -0.848 1.00 0.00 C ATOM 704 CD LYS A 45 -8.933 3.629 -0.772 1.00 0.00 C ATOM 705 CE LYS A 45 -10.279 3.893 -0.094 1.00 0.00 C ATOM 706 NZ LYS A 45 -11.395 3.498 -0.983 1.00 0.00 N ATOM 0 H LYS A 45 -5.372 5.927 -1.406 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.695 4.054 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.115 6.471 -2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.742 4.937 -2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.106 4.724 -0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.559 5.686 -0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.098 3.238 -1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.387 2.865 -0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.337 3.336 0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.364 4.950 0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.199 4.141 -0.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.085 3.550 -1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.686 2.524 -0.763 1.00 0.00 H new ATOM 720 N SER A 46 -4.883 6.432 -3.850 1.00 0.00 N ATOM 721 CA SER A 46 -4.309 7.338 -4.831 1.00 0.00 C ATOM 722 C SER A 46 -2.914 6.858 -5.234 1.00 0.00 C ATOM 723 O SER A 46 -2.141 6.407 -4.390 1.00 0.00 O ATOM 724 CB SER A 46 -4.243 8.767 -4.288 1.00 0.00 C ATOM 725 OG SER A 46 -4.173 9.733 -5.333 1.00 0.00 O ATOM 0 H SER A 46 -4.257 6.180 -3.085 1.00 0.00 H new ATOM 0 HA SER A 46 -4.952 7.342 -5.711 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.121 8.962 -3.673 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.372 8.869 -3.641 1.00 0.00 H new ATOM 0 HG SER A 46 -4.134 10.632 -4.945 1.00 0.00 H new ATOM 731 N ILE A 47 -2.635 6.971 -6.524 1.00 0.00 N ATOM 732 CA ILE A 47 -1.346 6.553 -7.049 1.00 0.00 C ATOM 733 C ILE A 47 -0.329 7.680 -6.850 1.00 0.00 C ATOM 734 O ILE A 47 0.750 7.457 -6.304 1.00 0.00 O ATOM 735 CB ILE A 47 -1.482 6.100 -8.504 1.00 0.00 C ATOM 736 CG1 ILE A 47 -0.896 4.700 -8.699 1.00 0.00 C ATOM 737 CG2 ILE A 47 -0.857 7.120 -9.458 1.00 0.00 C ATOM 738 CD1 ILE A 47 -1.586 3.685 -7.785 1.00 0.00 C ATOM 0 H ILE A 47 -3.279 7.346 -7.221 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.975 5.687 -6.502 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.543 6.042 -8.745 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.011 4.395 -9.739 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.173 4.717 -8.488 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.968 6.773 -10.485 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.359 8.081 -9.343 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.202 7.234 -9.226 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.151 2.698 -7.943 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.448 3.980 -6.745 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.651 3.653 -8.015 1.00 0.00 H new ATOM 750 N MET A 48 -0.710 8.866 -7.303 1.00 0.00 N ATOM 751 CA MET A 48 0.154 10.027 -7.180 1.00 0.00 C ATOM 752 C MET A 48 0.914 10.006 -5.852 1.00 0.00 C ATOM 753 O MET A 48 2.029 10.518 -5.764 1.00 0.00 O ATOM 754 CB MET A 48 -0.688 11.301 -7.267 1.00 0.00 C ATOM 755 CG MET A 48 -0.863 11.744 -8.721 1.00 0.00 C ATOM 756 SD MET A 48 0.181 13.152 -9.062 1.00 0.00 S ATOM 757 CE MET A 48 -0.252 13.454 -10.767 1.00 0.00 C ATOM 0 H MET A 48 -1.606 9.047 -7.756 1.00 0.00 H new ATOM 0 HA MET A 48 0.880 10.005 -7.993 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.665 11.127 -6.816 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.210 12.097 -6.696 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.611 10.923 -9.392 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.906 12.000 -8.908 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.314 14.308 -11.140 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.016 12.573 -11.364 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.319 13.666 -10.839 1.00 0.00 H new ATOM 767 N GLY A 49 0.281 9.410 -4.854 1.00 0.00 N ATOM 768 CA GLY A 49 0.884 9.316 -3.535 1.00 0.00 C ATOM 769 C GLY A 49 1.813 8.103 -3.441 1.00 0.00 C ATOM 770 O GLY A 49 2.999 8.247 -3.149 1.00 0.00 O ATOM 0 H GLY A 49 -0.644 8.987 -4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.445 10.226 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.103 9.240 -2.779 1.00 0.00 H new ATOM 774 N VAL A 50 1.237 6.937 -3.694 1.00 0.00 N ATOM 775 CA VAL A 50 1.999 5.700 -3.643 1.00 0.00 C ATOM 776 C VAL A 50 3.211 5.814 -4.569 1.00 0.00 C ATOM 777 O VAL A 50 4.262 5.237 -4.295 1.00 0.00 O ATOM 778 CB VAL A 50 1.094 4.515 -3.983 1.00 0.00 C ATOM 779 CG1 VAL A 50 1.890 3.208 -4.012 1.00 0.00 C ATOM 780 CG2 VAL A 50 -0.078 4.421 -3.004 1.00 0.00 C ATOM 0 H VAL A 50 0.252 6.822 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 50 2.377 5.524 -2.636 1.00 0.00 H new ATOM 0 HB VAL A 50 0.685 4.681 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.223 2.381 -4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.674 3.276 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.340 3.035 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.706 3.570 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.303 4.290 -1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.668 5.336 -3.054 1.00 0.00 H new ATOM 790 N MET A 51 3.023 6.559 -5.648 1.00 0.00 N ATOM 791 CA MET A 51 4.088 6.756 -6.617 1.00 0.00 C ATOM 792 C MET A 51 5.118 7.763 -6.103 1.00 0.00 C ATOM 793 O MET A 51 6.319 7.496 -6.130 1.00 0.00 O ATOM 794 CB MET A 51 3.493 7.260 -7.934 1.00 0.00 C ATOM 795 CG MET A 51 2.491 6.254 -8.504 1.00 0.00 C ATOM 796 SD MET A 51 2.362 6.459 -10.273 1.00 0.00 S ATOM 797 CE MET A 51 4.086 6.354 -10.725 1.00 0.00 C ATOM 0 H MET A 51 2.149 7.034 -5.873 1.00 0.00 H new ATOM 0 HA MET A 51 4.590 5.802 -6.776 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.999 8.218 -7.771 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.292 7.432 -8.656 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.809 5.238 -8.269 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.515 6.398 -8.041 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.175 5.920 -11.721 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.524 7.352 -10.723 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.613 5.725 -10.007 1.00 0.00 H new ATOM 807 N SER A 52 4.612 8.899 -5.647 1.00 0.00 N ATOM 808 CA SER A 52 5.474 9.946 -5.127 1.00 0.00 C ATOM 809 C SER A 52 5.974 9.568 -3.730 1.00 0.00 C ATOM 810 O SER A 52 6.663 10.353 -3.080 1.00 0.00 O ATOM 811 CB SER A 52 4.743 11.290 -5.083 1.00 0.00 C ATOM 812 OG SER A 52 4.463 11.787 -6.389 1.00 0.00 O ATOM 0 H SER A 52 3.616 9.117 -5.627 1.00 0.00 H new ATOM 0 HA SER A 52 6.328 10.049 -5.796 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.810 11.178 -4.530 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.350 12.015 -4.541 1.00 0.00 H new ATOM 0 HG SER A 52 3.556 11.524 -6.651 1.00 0.00 H new ATOM 818 N LEU A 53 5.607 8.367 -3.311 1.00 0.00 N ATOM 819 CA LEU A 53 6.010 7.875 -2.005 1.00 0.00 C ATOM 820 C LEU A 53 7.396 7.235 -2.109 1.00 0.00 C ATOM 821 O LEU A 53 7.863 6.599 -1.166 1.00 0.00 O ATOM 822 CB LEU A 53 4.943 6.940 -1.432 1.00 0.00 C ATOM 823 CG LEU A 53 3.936 7.579 -0.472 1.00 0.00 C ATOM 824 CD1 LEU A 53 4.371 7.393 0.983 1.00 0.00 C ATOM 825 CD2 LEU A 53 3.708 9.051 -0.819 1.00 0.00 C ATOM 0 H LEU A 53 5.035 7.719 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 53 6.092 8.700 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.393 6.497 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.445 6.125 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 53 2.980 7.068 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.638 7.856 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.442 6.329 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.344 7.861 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.989 9.482 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.651 9.592 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.321 9.130 -1.835 1.00 0.00 H new ATOM 837 N GLY A 54 8.015 7.428 -3.265 1.00 0.00 N ATOM 838 CA GLY A 54 9.338 6.878 -3.505 1.00 0.00 C ATOM 839 C GLY A 54 9.511 5.535 -2.792 1.00 0.00 C ATOM 840 O GLY A 54 10.516 5.310 -2.119 1.00 0.00 O ATOM 0 H GLY A 54 7.625 7.957 -4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.493 6.748 -4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.096 7.579 -3.156 1.00 0.00 H new ATOM 844 N VAL A 55 8.517 4.676 -2.964 1.00 0.00 N ATOM 845 CA VAL A 55 8.547 3.362 -2.345 1.00 0.00 C ATOM 846 C VAL A 55 9.715 2.559 -2.920 1.00 0.00 C ATOM 847 O VAL A 55 9.512 1.519 -3.545 1.00 0.00 O ATOM 848 CB VAL A 55 7.196 2.667 -2.529 1.00 0.00 C ATOM 849 CG1 VAL A 55 7.135 1.367 -1.725 1.00 0.00 C ATOM 850 CG2 VAL A 55 6.044 3.599 -2.154 1.00 0.00 C ATOM 0 H VAL A 55 7.685 4.865 -3.524 1.00 0.00 H new ATOM 0 HA VAL A 55 8.710 3.449 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 55 7.090 2.414 -3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.165 0.893 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.923 0.694 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.274 1.587 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.096 3.080 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.143 3.898 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.070 4.484 -2.790 1.00 0.00 H new ATOM 860 N GLY A 56 10.915 3.073 -2.687 1.00 0.00 N ATOM 861 CA GLY A 56 12.117 2.416 -3.173 1.00 0.00 C ATOM 862 C GLY A 56 12.333 1.076 -2.467 1.00 0.00 C ATOM 863 O GLY A 56 11.642 0.761 -1.500 1.00 0.00 O ATOM 0 H GLY A 56 11.080 3.936 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.039 2.256 -4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.980 3.061 -3.009 1.00 0.00 H new ATOM 867 N LYS A 57 13.295 0.322 -2.980 1.00 0.00 N ATOM 868 CA LYS A 57 13.611 -0.977 -2.411 1.00 0.00 C ATOM 869 C LYS A 57 14.277 -0.784 -1.048 1.00 0.00 C ATOM 870 O LYS A 57 14.786 0.295 -0.749 1.00 0.00 O ATOM 871 CB LYS A 57 14.447 -1.802 -3.392 1.00 0.00 C ATOM 872 CG LYS A 57 14.147 -3.295 -3.247 1.00 0.00 C ATOM 873 CD LYS A 57 15.240 -4.140 -3.903 1.00 0.00 C ATOM 874 CE LYS A 57 16.560 -4.019 -3.139 1.00 0.00 C ATOM 875 NZ LYS A 57 16.789 -5.221 -2.306 1.00 0.00 N ATOM 0 H LYS A 57 13.866 0.586 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 57 12.700 -1.551 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.237 -1.483 -4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.507 -1.621 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.068 -3.553 -2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.184 -3.522 -3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.928 -5.184 -3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.382 -3.819 -4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 57 17.384 -3.894 -3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.542 -3.130 -2.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.689 -5.122 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.012 -5.323 -1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.827 -6.063 -2.915 1.00 0.00 H new ATOM 889 N ASP A 58 14.251 -1.847 -0.256 1.00 0.00 N ATOM 890 CA ASP A 58 14.845 -1.807 1.069 1.00 0.00 C ATOM 891 C ASP A 58 14.076 -0.811 1.939 1.00 0.00 C ATOM 892 O ASP A 58 14.465 -0.544 3.075 1.00 0.00 O ATOM 893 CB ASP A 58 16.304 -1.351 1.005 1.00 0.00 C ATOM 894 CG ASP A 58 16.874 -0.820 2.323 1.00 0.00 C ATOM 895 OD1 ASP A 58 17.406 -1.584 3.142 1.00 0.00 O ATOM 896 OD2 ASP A 58 16.754 0.453 2.495 1.00 0.00 O ATOM 0 H ASP A 58 13.828 -2.740 -0.507 1.00 0.00 H new ATOM 0 HA ASP A 58 14.799 -2.812 1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.917 -2.189 0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.393 -0.572 0.248 1.00 0.00 H new ATOM 902 N ALA A 59 12.998 -0.288 1.372 1.00 0.00 N ATOM 903 CA ALA A 59 12.172 0.673 2.082 1.00 0.00 C ATOM 904 C ALA A 59 10.990 -0.055 2.726 1.00 0.00 C ATOM 905 O ALA A 59 10.366 -0.910 2.099 1.00 0.00 O ATOM 906 CB ALA A 59 11.723 1.772 1.117 1.00 0.00 C ATOM 0 H ALA A 59 12.678 -0.512 0.430 1.00 0.00 H new ATOM 0 HA ALA A 59 12.740 1.151 2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.103 2.493 1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.598 2.277 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.147 1.329 0.304 1.00 0.00 H new ATOM 912 N GLU A 60 10.719 0.309 3.971 1.00 0.00 N ATOM 913 CA GLU A 60 9.623 -0.298 4.706 1.00 0.00 C ATOM 914 C GLU A 60 8.376 0.585 4.627 1.00 0.00 C ATOM 915 O GLU A 60 8.381 1.718 5.105 1.00 0.00 O ATOM 916 CB GLU A 60 10.017 -0.559 6.161 1.00 0.00 C ATOM 917 CG GLU A 60 11.341 -1.321 6.242 1.00 0.00 C ATOM 918 CD GLU A 60 12.046 -1.056 7.573 1.00 0.00 C ATOM 919 OE1 GLU A 60 12.603 0.035 7.775 1.00 0.00 O ATOM 920 OE2 GLU A 60 12.004 -2.031 8.417 1.00 0.00 O ATOM 0 H GLU A 60 11.240 1.017 4.489 1.00 0.00 H new ATOM 0 HA GLU A 60 9.393 -1.260 4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.105 0.388 6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.233 -1.131 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.157 -2.390 6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.988 -1.021 5.418 1.00 0.00 H new ATOM 928 N ILE A 61 7.336 0.032 4.019 1.00 0.00 N ATOM 929 CA ILE A 61 6.084 0.755 3.870 1.00 0.00 C ATOM 930 C ILE A 61 5.039 0.155 4.812 1.00 0.00 C ATOM 931 O ILE A 61 5.301 -0.845 5.479 1.00 0.00 O ATOM 932 CB ILE A 61 5.650 0.778 2.403 1.00 0.00 C ATOM 933 CG1 ILE A 61 5.708 -0.623 1.792 1.00 0.00 C ATOM 934 CG2 ILE A 61 6.476 1.788 1.603 1.00 0.00 C ATOM 935 CD1 ILE A 61 4.625 -0.801 0.726 1.00 0.00 C ATOM 0 H ILE A 61 7.335 -0.908 3.624 1.00 0.00 H new ATOM 0 HA ILE A 61 6.210 1.799 4.157 1.00 0.00 H new ATOM 0 HB ILE A 61 4.611 1.105 2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.690 -0.790 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.579 -1.371 2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.148 1.785 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.339 2.784 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.530 1.515 1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.688 -1.805 0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.643 -0.657 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.771 -0.068 -0.067 1.00 0.00 H new ATOM 947 N THR A 62 3.876 0.790 4.835 1.00 0.00 N ATOM 948 CA THR A 62 2.789 0.331 5.684 1.00 0.00 C ATOM 949 C THR A 62 1.441 0.763 5.105 1.00 0.00 C ATOM 950 O THR A 62 1.373 1.701 4.313 1.00 0.00 O ATOM 951 CB THR A 62 3.040 0.858 7.099 1.00 0.00 C ATOM 952 OG1 THR A 62 4.229 0.192 7.512 1.00 0.00 O ATOM 953 CG2 THR A 62 1.981 0.385 8.097 1.00 0.00 C ATOM 0 H THR A 62 3.663 1.618 4.279 1.00 0.00 H new ATOM 0 HA THR A 62 2.754 -0.758 5.728 1.00 0.00 H new ATOM 0 HB THR A 62 3.061 1.948 7.082 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.477 -0.480 6.843 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.206 0.787 9.085 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.999 0.735 7.778 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.982 -0.704 8.140 1.00 0.00 H new ATOM 961 N ILE A 63 0.401 0.057 5.522 1.00 0.00 N ATOM 962 CA ILE A 63 -0.942 0.354 5.054 1.00 0.00 C ATOM 963 C ILE A 63 -1.925 0.219 6.219 1.00 0.00 C ATOM 964 O ILE A 63 -1.907 -0.779 6.939 1.00 0.00 O ATOM 965 CB ILE A 63 -1.295 -0.517 3.847 1.00 0.00 C ATOM 966 CG1 ILE A 63 -1.502 -1.974 4.265 1.00 0.00 C ATOM 967 CG2 ILE A 63 -0.241 -0.380 2.746 1.00 0.00 C ATOM 968 CD1 ILE A 63 -2.919 -2.444 3.932 1.00 0.00 C ATOM 0 H ILE A 63 0.461 -0.721 6.179 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.003 1.384 4.702 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.240 -0.163 3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.776 -2.608 3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.323 -2.078 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.515 -1.009 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.186 0.659 2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.730 -0.693 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.039 -3.483 4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.642 -1.823 4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.087 -2.362 2.858 1.00 0.00 H new ATOM 980 N TYR A 64 -2.760 1.237 6.368 1.00 0.00 N ATOM 981 CA TYR A 64 -3.748 1.244 7.433 1.00 0.00 C ATOM 982 C TYR A 64 -5.144 0.934 6.888 1.00 0.00 C ATOM 983 O TYR A 64 -5.391 1.069 5.690 1.00 0.00 O ATOM 984 CB TYR A 64 -3.742 2.662 8.006 1.00 0.00 C ATOM 985 CG TYR A 64 -2.458 3.024 8.756 1.00 0.00 C ATOM 986 CD1 TYR A 64 -1.247 3.021 8.094 1.00 0.00 C ATOM 987 CD2 TYR A 64 -2.510 3.352 10.096 1.00 0.00 C ATOM 988 CE1 TYR A 64 -0.040 3.362 8.799 1.00 0.00 C ATOM 989 CE2 TYR A 64 -1.303 3.692 10.802 1.00 0.00 C ATOM 990 CZ TYR A 64 -0.126 3.681 10.119 1.00 0.00 C ATOM 991 OH TYR A 64 1.014 4.002 10.786 1.00 0.00 O ATOM 0 H TYR A 64 -2.772 2.062 5.769 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.509 0.489 8.182 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.888 3.372 7.192 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.590 2.773 8.682 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.205 2.763 7.046 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.457 3.353 10.615 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.913 3.365 8.292 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.331 3.950 11.850 1.00 0.00 H new ATOM 0 HH TYR A 64 1.466 4.739 10.325 1.00 0.00 H new ATOM 1001 N ALA A 65 -6.021 0.525 7.792 1.00 0.00 N ATOM 1002 CA ALA A 65 -7.385 0.195 7.417 1.00 0.00 C ATOM 1003 C ALA A 65 -8.297 0.348 8.636 1.00 0.00 C ATOM 1004 O ALA A 65 -8.062 -0.272 9.672 1.00 0.00 O ATOM 1005 CB ALA A 65 -7.427 -1.218 6.832 1.00 0.00 C ATOM 0 H ALA A 65 -5.813 0.414 8.784 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.746 0.877 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.451 -1.465 6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.787 -1.266 5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.073 -1.931 7.577 1.00 0.00 H new ATOM 1011 N ASP A 66 -9.318 1.177 8.472 1.00 0.00 N ATOM 1012 CA ASP A 66 -10.265 1.419 9.547 1.00 0.00 C ATOM 1013 C ASP A 66 -11.688 1.373 8.986 1.00 0.00 C ATOM 1014 O ASP A 66 -12.177 2.361 8.442 1.00 0.00 O ATOM 1015 CB ASP A 66 -10.048 2.799 10.171 1.00 0.00 C ATOM 1016 CG ASP A 66 -10.709 3.002 11.537 1.00 0.00 C ATOM 1017 OD1 ASP A 66 -11.233 2.053 12.139 1.00 0.00 O ATOM 1018 OD2 ASP A 66 -10.672 4.210 11.986 1.00 0.00 O ATOM 0 H ASP A 66 -9.510 1.689 7.611 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.117 0.652 10.307 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.976 2.970 10.273 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.428 3.556 9.484 1.00 0.00 H new ATOM 1024 N GLY A 67 -12.312 0.214 9.138 1.00 0.00 N ATOM 1025 CA GLY A 67 -13.669 0.025 8.655 1.00 0.00 C ATOM 1026 C GLY A 67 -14.212 -1.344 9.066 1.00 0.00 C ATOM 1027 O GLY A 67 -13.864 -1.862 10.126 1.00 0.00 O ATOM 0 H GLY A 67 -11.902 -0.604 9.589 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.313 0.810 9.053 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.688 0.117 7.569 1.00 0.00 H new ATOM 1031 N SER A 68 -15.057 -1.893 8.205 1.00 0.00 N ATOM 1032 CA SER A 68 -15.653 -3.192 8.466 1.00 0.00 C ATOM 1033 C SER A 68 -14.849 -4.287 7.762 1.00 0.00 C ATOM 1034 O SER A 68 -14.833 -5.434 8.206 1.00 0.00 O ATOM 1035 CB SER A 68 -17.113 -3.231 8.011 1.00 0.00 C ATOM 1036 OG SER A 68 -17.808 -2.033 8.347 1.00 0.00 O ATOM 0 H SER A 68 -15.343 -1.462 7.326 1.00 0.00 H new ATOM 0 HA SER A 68 -15.632 -3.368 9.542 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.153 -3.383 6.932 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.614 -4.082 8.472 1.00 0.00 H new ATOM 0 HG SER A 68 -18.736 -2.096 8.039 1.00 0.00 H new ATOM 1042 N ASP A 69 -14.201 -3.895 6.674 1.00 0.00 N ATOM 1043 CA ASP A 69 -13.397 -4.828 5.904 1.00 0.00 C ATOM 1044 C ASP A 69 -11.915 -4.500 6.101 1.00 0.00 C ATOM 1045 O ASP A 69 -11.052 -5.123 5.484 1.00 0.00 O ATOM 1046 CB ASP A 69 -13.710 -4.724 4.411 1.00 0.00 C ATOM 1047 CG ASP A 69 -14.747 -3.660 4.040 1.00 0.00 C ATOM 1048 OD1 ASP A 69 -14.827 -2.597 4.674 1.00 0.00 O ATOM 1049 OD2 ASP A 69 -15.505 -3.963 3.042 1.00 0.00 O ATOM 0 H ASP A 69 -14.217 -2.943 6.308 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.626 -5.836 6.250 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.785 -4.511 3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.065 -5.693 4.061 1.00 0.00 H new ATOM 1055 N GLU A 70 -11.667 -3.525 6.961 1.00 0.00 N ATOM 1056 CA GLU A 70 -10.304 -3.107 7.246 1.00 0.00 C ATOM 1057 C GLU A 70 -9.352 -4.300 7.150 1.00 0.00 C ATOM 1058 O GLU A 70 -8.514 -4.361 6.252 1.00 0.00 O ATOM 1059 CB GLU A 70 -10.211 -2.440 8.620 1.00 0.00 C ATOM 1060 CG GLU A 70 -11.092 -3.163 9.641 1.00 0.00 C ATOM 1061 CD GLU A 70 -10.250 -3.732 10.786 1.00 0.00 C ATOM 1062 OE1 GLU A 70 -10.058 -4.954 10.865 1.00 0.00 O ATOM 1063 OE2 GLU A 70 -9.789 -2.854 11.611 1.00 0.00 O ATOM 0 H GLU A 70 -12.386 -3.011 7.471 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.007 -2.370 6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.176 -2.443 8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.518 -1.397 8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.835 -2.472 10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.637 -3.969 9.150 1.00 0.00 H new ATOM 1071 N SER A 71 -9.513 -5.222 8.089 1.00 0.00 N ATOM 1072 CA SER A 71 -8.678 -6.411 8.121 1.00 0.00 C ATOM 1073 C SER A 71 -8.720 -7.117 6.764 1.00 0.00 C ATOM 1074 O SER A 71 -7.690 -7.564 6.262 1.00 0.00 O ATOM 1075 CB SER A 71 -9.122 -7.366 9.231 1.00 0.00 C ATOM 1076 OG SER A 71 -8.276 -7.286 10.374 1.00 0.00 O ATOM 0 H SER A 71 -10.209 -5.169 8.833 1.00 0.00 H new ATOM 0 HA SER A 71 -7.654 -6.104 8.332 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.146 -7.133 9.521 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.123 -8.388 8.851 1.00 0.00 H new ATOM 0 HG SER A 71 -8.458 -6.453 10.858 1.00 0.00 H new ATOM 1082 N ASP A 72 -9.920 -7.194 6.210 1.00 0.00 N ATOM 1083 CA ASP A 72 -10.110 -7.838 4.922 1.00 0.00 C ATOM 1084 C ASP A 72 -9.292 -7.097 3.861 1.00 0.00 C ATOM 1085 O ASP A 72 -8.728 -7.718 2.962 1.00 0.00 O ATOM 1086 CB ASP A 72 -11.579 -7.798 4.496 1.00 0.00 C ATOM 1087 CG ASP A 72 -12.206 -9.164 4.209 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -13.070 -9.641 4.958 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -11.765 -9.753 3.148 1.00 0.00 O ATOM 0 H ASP A 72 -10.771 -6.821 6.630 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.789 -8.876 5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.156 -7.308 5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.666 -7.180 3.602 1.00 0.00 H new ATOM 1095 N ALA A 73 -9.252 -5.781 4.004 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.512 -4.949 3.069 1.00 0.00 C ATOM 1097 C ALA A 73 -7.012 -5.173 3.271 1.00 0.00 C ATOM 1098 O ALA A 73 -6.242 -5.141 2.314 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.913 -3.485 3.259 1.00 0.00 C ATOM 0 H ALA A 73 -9.720 -5.270 4.753 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.751 -5.221 2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.358 -2.862 2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.982 -3.374 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.685 -3.175 4.279 1.00 0.00 H new ATOM 1105 N ILE A 74 -6.643 -5.395 4.524 1.00 0.00 N ATOM 1106 CA ILE A 74 -5.249 -5.624 4.864 1.00 0.00 C ATOM 1107 C ILE A 74 -4.826 -7.005 4.360 1.00 0.00 C ATOM 1108 O ILE A 74 -3.673 -7.205 3.980 1.00 0.00 O ATOM 1109 CB ILE A 74 -5.024 -5.421 6.364 1.00 0.00 C ATOM 1110 CG1 ILE A 74 -4.040 -4.277 6.621 1.00 0.00 C ATOM 1111 CG2 ILE A 74 -4.574 -6.722 7.032 1.00 0.00 C ATOM 1112 CD1 ILE A 74 -4.668 -3.205 7.515 1.00 0.00 C ATOM 0 H ILE A 74 -7.285 -5.421 5.316 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.610 -4.894 4.367 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.974 -5.138 6.816 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.138 -4.667 7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.737 -3.833 5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.421 -6.550 8.097 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.339 -7.486 6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.640 -7.058 6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.948 -2.404 7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.556 -2.800 7.029 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.948 -3.647 8.471 1.00 0.00 H new ATOM 1124 N GLN A 75 -5.782 -7.923 4.374 1.00 0.00 N ATOM 1125 CA GLN A 75 -5.522 -9.280 3.924 1.00 0.00 C ATOM 1126 C GLN A 75 -5.326 -9.306 2.406 1.00 0.00 C ATOM 1127 O GLN A 75 -4.595 -10.149 1.886 1.00 0.00 O ATOM 1128 CB GLN A 75 -6.650 -10.224 4.347 1.00 0.00 C ATOM 1129 CG GLN A 75 -6.550 -10.563 5.836 1.00 0.00 C ATOM 1130 CD GLN A 75 -7.843 -11.210 6.338 1.00 0.00 C ATOM 1131 OE1 GLN A 75 -8.802 -10.339 6.637 1.00 0.00 O flip ATOM 1132 NE2 GLN A 75 -7.961 -12.419 6.447 1.00 0.00 N flip ATOM 0 H GLN A 75 -6.737 -7.754 4.690 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.604 -9.630 4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.614 -9.760 4.140 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.603 -11.140 3.758 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -5.712 -11.239 6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.347 -9.657 6.406 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.184 -13.032 6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.837 -12.817 6.786 1.00 0.00 H new ATOM 1141 N ALA A 76 -5.991 -8.376 1.739 1.00 0.00 N ATOM 1142 CA ALA A 76 -5.899 -8.281 0.292 1.00 0.00 C ATOM 1143 C ALA A 76 -4.585 -7.596 -0.088 1.00 0.00 C ATOM 1144 O ALA A 76 -3.903 -8.026 -1.016 1.00 0.00 O ATOM 1145 CB ALA A 76 -7.122 -7.539 -0.251 1.00 0.00 C ATOM 0 H ALA A 76 -6.597 -7.680 2.174 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.895 -9.274 -0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.052 -7.468 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.027 -8.083 0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.159 -6.537 0.176 1.00 0.00 H new ATOM 1151 N ILE A 77 -4.269 -6.541 0.650 1.00 0.00 N ATOM 1152 CA ILE A 77 -3.050 -5.793 0.403 1.00 0.00 C ATOM 1153 C ILE A 77 -1.857 -6.751 0.417 1.00 0.00 C ATOM 1154 O ILE A 77 -1.291 -7.057 -0.632 1.00 0.00 O ATOM 1155 CB ILE A 77 -2.920 -4.636 1.396 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -3.543 -3.357 0.832 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -1.461 -4.429 1.810 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.902 -3.078 1.477 1.00 0.00 C ATOM 0 H ILE A 77 -4.838 -6.187 1.419 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.080 -5.333 -0.585 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.476 -4.895 2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.874 -2.515 1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.661 -3.451 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.397 -3.601 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.084 -5.337 2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.861 -4.201 0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.323 -2.164 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.576 -3.911 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.777 -2.960 2.553 1.00 0.00 H new ATOM 1170 N SER A 78 -1.510 -7.196 1.615 1.00 0.00 N ATOM 1171 CA SER A 78 -0.394 -8.113 1.779 1.00 0.00 C ATOM 1172 C SER A 78 -0.384 -9.133 0.639 1.00 0.00 C ATOM 1173 O SER A 78 0.680 -9.563 0.195 1.00 0.00 O ATOM 1174 CB SER A 78 -0.462 -8.827 3.129 1.00 0.00 C ATOM 1175 OG SER A 78 0.721 -8.628 3.899 1.00 0.00 O ATOM 0 H SER A 78 -1.982 -6.939 2.482 1.00 0.00 H new ATOM 0 HA SER A 78 0.530 -7.536 1.750 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.324 -8.463 3.688 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.614 -9.894 2.967 1.00 0.00 H new ATOM 0 HG SER A 78 0.592 -7.870 4.507 1.00 0.00 H new ATOM 1181 N ASP A 79 -1.580 -9.492 0.197 1.00 0.00 N ATOM 1182 CA ASP A 79 -1.722 -10.453 -0.883 1.00 0.00 C ATOM 1183 C ASP A 79 -1.238 -9.822 -2.190 1.00 0.00 C ATOM 1184 O ASP A 79 -0.453 -10.424 -2.920 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.186 -10.862 -1.068 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.401 -12.157 -1.852 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -4.428 -12.335 -2.524 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -2.446 -13.020 -1.754 1.00 0.00 O ATOM 0 H ASP A 79 -2.460 -9.134 0.568 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.131 -11.333 -0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.644 -10.970 -0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.711 -10.055 -1.578 1.00 0.00 H new ATOM 1194 N VAL A 80 -1.728 -8.618 -2.444 1.00 0.00 N ATOM 1195 CA VAL A 80 -1.355 -7.899 -3.651 1.00 0.00 C ATOM 1196 C VAL A 80 0.141 -7.583 -3.609 1.00 0.00 C ATOM 1197 O VAL A 80 0.827 -7.673 -4.627 1.00 0.00 O ATOM 1198 CB VAL A 80 -2.225 -6.649 -3.805 1.00 0.00 C ATOM 1199 CG1 VAL A 80 -1.783 -5.818 -5.011 1.00 0.00 C ATOM 1200 CG2 VAL A 80 -3.705 -7.021 -3.908 1.00 0.00 C ATOM 0 H VAL A 80 -2.379 -8.122 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.533 -8.514 -4.533 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.094 -6.038 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.418 -4.936 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.746 -5.508 -4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.870 -6.417 -5.917 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.301 -6.115 -4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.859 -7.663 -4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.011 -7.550 -3.006 1.00 0.00 H new ATOM 1210 N LEU A 81 0.605 -7.221 -2.422 1.00 0.00 N ATOM 1211 CA LEU A 81 2.008 -6.892 -2.235 1.00 0.00 C ATOM 1212 C LEU A 81 2.862 -8.121 -2.549 1.00 0.00 C ATOM 1213 O LEU A 81 3.807 -8.041 -3.333 1.00 0.00 O ATOM 1214 CB LEU A 81 2.242 -6.322 -0.835 1.00 0.00 C ATOM 1215 CG LEU A 81 1.697 -4.915 -0.582 1.00 0.00 C ATOM 1216 CD1 LEU A 81 1.561 -4.640 0.917 1.00 0.00 C ATOM 1217 CD2 LEU A 81 2.555 -3.861 -1.282 1.00 0.00 C ATOM 0 H LEU A 81 0.034 -7.148 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 81 2.311 -6.108 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.793 -7.000 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.315 -6.314 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 81 0.697 -4.854 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.172 -3.633 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.877 -5.364 1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.538 -4.727 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.146 -2.870 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.576 -3.913 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.556 -4.047 -2.356 1.00 0.00 H new ATOM 1229 N SER A 82 2.499 -9.231 -1.923 1.00 0.00 N ATOM 1230 CA SER A 82 3.220 -10.475 -2.127 1.00 0.00 C ATOM 1231 C SER A 82 2.892 -11.051 -3.506 1.00 0.00 C ATOM 1232 O SER A 82 3.715 -11.737 -4.108 1.00 0.00 O ATOM 1233 CB SER A 82 2.884 -11.492 -1.034 1.00 0.00 C ATOM 1234 OG SER A 82 3.585 -11.226 0.178 1.00 0.00 O ATOM 0 H SER A 82 1.715 -9.294 -1.274 1.00 0.00 H new ATOM 0 HA SER A 82 4.288 -10.263 -2.074 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.811 -11.477 -0.843 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.132 -12.494 -1.383 1.00 0.00 H new ATOM 0 HG SER A 82 3.342 -11.896 0.850 1.00 0.00 H new ATOM 1240 N LYS A 83 1.685 -10.751 -3.965 1.00 0.00 N ATOM 1241 CA LYS A 83 1.239 -11.229 -5.262 1.00 0.00 C ATOM 1242 C LYS A 83 2.211 -10.750 -6.341 1.00 0.00 C ATOM 1243 O LYS A 83 2.552 -11.502 -7.253 1.00 0.00 O ATOM 1244 CB LYS A 83 -0.213 -10.815 -5.515 1.00 0.00 C ATOM 1245 CG LYS A 83 -1.186 -11.819 -4.893 1.00 0.00 C ATOM 1246 CD LYS A 83 -2.059 -12.472 -5.966 1.00 0.00 C ATOM 1247 CE LYS A 83 -3.153 -13.334 -5.333 1.00 0.00 C ATOM 1248 NZ LYS A 83 -3.831 -14.152 -6.363 1.00 0.00 N ATOM 0 H LYS A 83 1.003 -10.183 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 83 1.246 -12.319 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.391 -9.824 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.393 -10.745 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.629 -12.586 -4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.818 -11.314 -4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.513 -11.701 -6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.440 -13.086 -6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.718 -13.983 -4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.880 -12.697 -4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.570 -14.731 -5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.263 -13.527 -7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.137 -14.774 -6.825 1.00 0.00 H new ATOM 1262 N GLU A 84 2.631 -9.502 -6.202 1.00 0.00 N ATOM 1263 CA GLU A 84 3.558 -8.913 -7.154 1.00 0.00 C ATOM 1264 C GLU A 84 4.996 -9.306 -6.807 1.00 0.00 C ATOM 1265 O GLU A 84 5.766 -9.693 -7.685 1.00 0.00 O ATOM 1266 CB GLU A 84 3.402 -7.392 -7.203 1.00 0.00 C ATOM 1267 CG GLU A 84 1.938 -6.984 -7.024 1.00 0.00 C ATOM 1268 CD GLU A 84 1.475 -6.087 -8.173 1.00 0.00 C ATOM 1269 OE1 GLU A 84 0.660 -5.177 -7.959 1.00 0.00 O ATOM 1270 OE2 GLU A 84 1.993 -6.363 -9.323 1.00 0.00 O ATOM 0 H GLU A 84 2.347 -8.881 -5.444 1.00 0.00 H new ATOM 0 HA GLU A 84 3.325 -9.301 -8.146 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.009 -6.935 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.774 -7.015 -8.156 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.311 -7.875 -6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.816 -6.459 -6.076 1.00 0.00 H new ATOM 1278 N GLY A 85 5.313 -9.194 -5.526 1.00 0.00 N ATOM 1279 CA GLY A 85 6.644 -9.533 -5.052 1.00 0.00 C ATOM 1280 C GLY A 85 7.435 -8.274 -4.691 1.00 0.00 C ATOM 1281 O GLY A 85 8.665 -8.282 -4.709 1.00 0.00 O ATOM 0 H GLY A 85 4.671 -8.873 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.569 -10.182 -4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.176 -10.093 -5.821 1.00 0.00 H new ATOM 1285 N LEU A 86 6.697 -7.221 -4.371 1.00 0.00 N ATOM 1286 CA LEU A 86 7.313 -5.957 -4.006 1.00 0.00 C ATOM 1287 C LEU A 86 7.863 -6.056 -2.582 1.00 0.00 C ATOM 1288 O LEU A 86 8.666 -5.222 -2.163 1.00 0.00 O ATOM 1289 CB LEU A 86 6.329 -4.803 -4.206 1.00 0.00 C ATOM 1290 CG LEU A 86 5.767 -4.639 -5.620 1.00 0.00 C ATOM 1291 CD1 LEU A 86 4.362 -4.035 -5.586 1.00 0.00 C ATOM 1292 CD2 LEU A 86 6.720 -3.823 -6.497 1.00 0.00 C ATOM 0 H LEU A 86 5.677 -7.218 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 86 8.157 -5.742 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.495 -4.940 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.826 -3.875 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 86 5.681 -5.628 -6.070 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.987 -3.929 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.698 -4.689 -5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.399 -3.055 -5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.297 -3.721 -7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.860 -2.834 -6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.682 -4.332 -6.560 1.00 0.00 H new ATOM 1304 N THR A 87 7.411 -7.082 -1.876 1.00 0.00 N ATOM 1305 CA THR A 87 7.848 -7.299 -0.507 1.00 0.00 C ATOM 1306 C THR A 87 8.205 -8.771 -0.289 1.00 0.00 C ATOM 1307 O THR A 87 7.864 -9.624 -1.108 1.00 0.00 O ATOM 1308 CB THR A 87 6.746 -6.796 0.427 1.00 0.00 C ATOM 1309 OG1 THR A 87 5.834 -7.888 0.507 1.00 0.00 O ATOM 1310 CG2 THR A 87 5.921 -5.667 -0.195 1.00 0.00 C ATOM 0 H THR A 87 6.747 -7.772 -2.226 1.00 0.00 H new ATOM 0 HA THR A 87 8.758 -6.740 -0.289 1.00 0.00 H new ATOM 0 HB THR A 87 7.191 -6.449 1.360 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.088 -7.648 1.095 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.153 -5.347 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.573 -4.825 -0.428 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.448 -6.023 -1.110 1.00 0.00 H new ATOM 1318 N LYS A 88 8.887 -9.024 0.817 1.00 0.00 N ATOM 1319 CA LYS A 88 9.294 -10.378 1.154 1.00 0.00 C ATOM 1320 C LYS A 88 9.708 -11.112 -0.123 1.00 0.00 C ATOM 1321 O LYS A 88 8.960 -11.944 -0.635 1.00 0.00 O ATOM 1322 CB LYS A 88 8.192 -11.088 1.942 1.00 0.00 C ATOM 1323 CG LYS A 88 8.345 -10.839 3.444 1.00 0.00 C ATOM 1324 CD LYS A 88 8.860 -12.090 4.158 1.00 0.00 C ATOM 1325 CE LYS A 88 10.002 -11.744 5.116 1.00 0.00 C ATOM 1326 NZ LYS A 88 10.677 -12.975 5.583 1.00 0.00 N ATOM 0 H LYS A 88 9.169 -8.314 1.493 1.00 0.00 H new ATOM 0 HA LYS A 88 10.164 -10.363 1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.216 -10.735 1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.229 -12.159 1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.034 -10.011 3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.385 -10.544 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.046 -12.558 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.205 -12.817 3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.721 -11.096 4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.613 -11.189 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.449 -12.723 6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.992 -13.580 6.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.065 -13.489 4.767 1.00 0.00 H new TER 1340 LYS A 88