USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 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 72 ASN : amide:sc= 2.45 K(o=3.4,f=-4.2!) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.923 K(o=3.4,f=1.6) USER MOD Set 2.1: A 1 SER OG : rot -66:sc= 1.06 USER MOD Set 2.2: A 57 THR OG1 : rot 109:sc= 0.372 USER MOD Set 3.1: A 20 ASN : amide:sc= 0.39 K(o=3.1,f=-9.5!) USER MOD Set 3.2: A 25 LYS NZ :NH3+ -151:sc= 2.69 (180deg=0.725) USER MOD Single : A 1 SER N :NH3+ -172:sc= 1.89 (180deg=1.5) USER MOD Single : A 5 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.6!) USER MOD Single : A 13 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 18 LYS NZ :NH3+ -178:sc= -1.59! (180deg=-1.65!) USER MOD Single : A 19 TYR OH : rot -19:sc= 1.41 USER MOD Single : A 21 GLN : amide:sc= 0.337 K(o=0.34,f=-6.5!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0663 USER MOD Single : A 26 SER OG : rot 169:sc= 0.991 USER MOD Single : A 41 GLN : amide:sc= 2.02 K(o=2,f=-6.6!) USER MOD Single : A 42 HIS : no HD1:sc= -1.06 K(o=0.36,f=-8.9!) USER MOD Single : A 45 ASN : amide:sc= 1.59 K(o=1.6,f=-12!) USER MOD Single : A 47 GLN : amide:sc= 0.559 K(o=0.56,f=-8.5!) USER MOD Single : A 49 MET CE :methyl -138:sc= -0.125 (180deg=-0.517) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= 3.27 (180deg=2.82) USER MOD Single : A 64 GLN : amide:sc= 0.728 K(o=0.73,f=-0.81) USER MOD Single : A 69 LYS NZ :NH3+ -136:sc= 2.37 (180deg=1.35) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 72:sc= 1.16 USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 3.7 (180deg=3.38) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.121 9.273 11.589 1.00 0.00 N ATOM 2 CA SER A 1 -1.024 9.157 12.503 1.00 0.00 C ATOM 3 C SER A 1 -1.699 7.800 12.269 1.00 0.00 C ATOM 4 O SER A 1 -0.993 6.862 11.913 1.00 0.00 O ATOM 5 CB SER A 1 -1.948 10.369 12.303 1.00 0.00 C ATOM 6 OG SER A 1 -2.368 10.434 10.953 1.00 0.00 O ATOM 0 H1 SER A 1 0.670 10.124 11.826 1.00 0.00 H new ATOM 0 H2 SER A 1 0.727 8.433 11.683 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.222 9.344 10.610 1.00 0.00 H new ATOM 0 HA SER A 1 -0.721 9.177 13.550 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.814 10.290 12.960 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.425 11.286 12.575 1.00 0.00 H new ATOM 0 HG SER A 1 -1.595 10.617 10.379 1.00 0.00 H new ATOM 14 N ALA A 2 -3.024 7.673 12.414 1.00 0.00 N ATOM 15 CA ALA A 2 -3.773 6.496 11.978 1.00 0.00 C ATOM 16 C ALA A 2 -5.260 6.863 11.872 1.00 0.00 C ATOM 17 O ALA A 2 -5.894 7.072 12.905 1.00 0.00 O ATOM 18 CB ALA A 2 -3.556 5.307 12.922 1.00 0.00 C ATOM 0 H ALA A 2 -3.608 8.392 12.841 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.408 6.184 10.999 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.128 4.450 12.566 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.497 5.051 12.947 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.888 5.574 13.925 1.00 0.00 H new ATOM 24 N PRO A 3 -5.823 7.002 10.660 1.00 0.00 N ATOM 25 CA PRO A 3 -7.219 7.362 10.481 1.00 0.00 C ATOM 26 C PRO A 3 -8.144 6.213 10.852 1.00 0.00 C ATOM 27 O PRO A 3 -7.752 5.049 10.843 1.00 0.00 O ATOM 28 CB PRO A 3 -7.383 7.733 9.002 1.00 0.00 C ATOM 29 CG PRO A 3 -6.198 7.065 8.301 1.00 0.00 C ATOM 30 CD PRO A 3 -5.141 6.870 9.386 1.00 0.00 C ATOM 0 HA PRO A 3 -7.487 8.193 11.133 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.332 7.372 8.606 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.369 8.814 8.861 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.489 6.111 7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.819 7.688 7.491 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.672 5.890 9.298 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -4.348 7.612 9.292 1.00 0.00 H new ATOM 38 N ALA A 4 -9.409 6.546 11.121 1.00 0.00 N ATOM 39 CA ALA A 4 -10.444 5.541 11.292 1.00 0.00 C ATOM 40 C ALA A 4 -10.545 4.707 10.013 1.00 0.00 C ATOM 41 O ALA A 4 -10.515 3.480 10.040 1.00 0.00 O ATOM 42 CB ALA A 4 -11.776 6.220 11.623 1.00 0.00 C ATOM 0 H ALA A 4 -9.735 7.507 11.224 1.00 0.00 H new ATOM 0 HA ALA A 4 -10.193 4.878 12.120 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -12.549 5.462 11.750 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.673 6.792 12.545 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -12.055 6.890 10.810 1.00 0.00 H new ATOM 48 N ASN A 5 -10.580 5.391 8.867 1.00 0.00 N ATOM 49 CA ASN A 5 -10.554 4.782 7.539 1.00 0.00 C ATOM 50 C ASN A 5 -9.113 4.468 7.149 1.00 0.00 C ATOM 51 O ASN A 5 -8.673 4.786 6.052 1.00 0.00 O ATOM 52 CB ASN A 5 -11.256 5.671 6.493 1.00 0.00 C ATOM 53 CG ASN A 5 -11.017 7.159 6.718 1.00 0.00 C ATOM 54 OD1 ASN A 5 -11.573 7.755 7.636 1.00 0.00 O ATOM 55 ND2 ASN A 5 -10.143 7.762 5.926 1.00 0.00 N ATOM 0 H ASN A 5 -10.628 6.409 8.838 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.114 3.847 7.569 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.904 5.399 5.498 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.328 5.473 6.517 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.917 8.746 6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.696 7.242 5.171 1.00 0.00 H new ATOM 62 N ALA A 6 -8.379 3.802 8.034 1.00 0.00 N ATOM 63 CA ALA A 6 -7.102 3.192 7.705 1.00 0.00 C ATOM 64 C ALA A 6 -7.324 1.854 7.014 1.00 0.00 C ATOM 65 O ALA A 6 -8.220 1.090 7.386 1.00 0.00 O ATOM 66 CB ALA A 6 -6.291 2.981 8.985 1.00 0.00 C ATOM 0 H ALA A 6 -8.658 3.671 9.006 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.555 3.852 7.032 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.333 2.523 8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.120 3.942 9.470 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.842 2.327 9.661 1.00 0.00 H new ATOM 72 N VAL A 7 -6.475 1.532 6.040 1.00 0.00 N ATOM 73 CA VAL A 7 -6.209 0.147 5.719 1.00 0.00 C ATOM 74 C VAL A 7 -5.242 -0.360 6.774 1.00 0.00 C ATOM 75 O VAL A 7 -4.054 -0.026 6.761 1.00 0.00 O ATOM 76 CB VAL A 7 -5.614 -0.035 4.325 1.00 0.00 C ATOM 77 CG1 VAL A 7 -5.493 -1.532 4.022 1.00 0.00 C ATOM 78 CG2 VAL A 7 -6.481 0.620 3.254 1.00 0.00 C ATOM 0 H VAL A 7 -5.968 2.209 5.470 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.144 -0.413 5.715 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.634 0.443 4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.069 -1.669 3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.844 -2.002 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.480 -1.992 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.026 0.470 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.474 0.171 3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.563 1.688 3.456 1.00 0.00 H new ATOM 88 N ALA A 8 -5.777 -1.159 7.687 1.00 0.00 N ATOM 89 CA ALA A 8 -4.972 -1.819 8.689 1.00 0.00 C ATOM 90 C ALA A 8 -4.046 -2.812 8.001 1.00 0.00 C ATOM 91 O ALA A 8 -4.447 -3.455 7.031 1.00 0.00 O ATOM 92 CB ALA A 8 -5.858 -2.551 9.691 1.00 0.00 C ATOM 0 H ALA A 8 -6.775 -1.363 7.749 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.387 -1.073 9.228 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.234 -3.042 10.438 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.518 -1.837 10.183 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.456 -3.299 9.170 1.00 0.00 H new ATOM 98 N ALA A 9 -2.830 -2.942 8.532 1.00 0.00 N ATOM 99 CA ALA A 9 -1.819 -3.889 8.087 1.00 0.00 C ATOM 100 C ALA A 9 -2.442 -5.208 7.638 1.00 0.00 C ATOM 101 O ALA A 9 -2.206 -5.657 6.521 1.00 0.00 O ATOM 102 CB ALA A 9 -0.814 -4.116 9.218 1.00 0.00 C ATOM 0 H ALA A 9 -2.515 -2.367 9.313 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.305 -3.472 7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.053 -4.825 8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.340 -3.170 9.479 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.332 -4.515 10.090 1.00 0.00 H new ATOM 108 N ASP A 10 -3.280 -5.778 8.506 1.00 0.00 N ATOM 109 CA ASP A 10 -3.871 -7.091 8.319 1.00 0.00 C ATOM 110 C ASP A 10 -5.399 -6.962 8.227 1.00 0.00 C ATOM 111 O ASP A 10 -6.130 -7.800 8.753 1.00 0.00 O ATOM 112 CB ASP A 10 -3.387 -8.014 9.453 1.00 0.00 C ATOM 113 CG ASP A 10 -1.866 -8.182 9.459 1.00 0.00 C ATOM 114 OD1 ASP A 10 -1.173 -7.263 9.955 1.00 0.00 O ATOM 115 OD2 ASP A 10 -1.387 -9.225 8.968 1.00 0.00 O ATOM 0 H ASP A 10 -3.568 -5.325 9.373 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.552 -7.544 7.380 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.709 -7.607 10.412 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.857 -8.992 9.348 1.00 0.00 H new ATOM 120 N ASP A 11 -5.889 -5.912 7.550 1.00 0.00 N ATOM 121 CA ASP A 11 -7.292 -5.810 7.142 1.00 0.00 C ATOM 122 C ASP A 11 -7.651 -7.037 6.286 1.00 0.00 C ATOM 123 O ASP A 11 -6.786 -7.662 5.673 1.00 0.00 O ATOM 124 CB ASP A 11 -7.509 -4.466 6.408 1.00 0.00 C ATOM 125 CG ASP A 11 -8.950 -4.096 6.072 1.00 0.00 C ATOM 126 OD1 ASP A 11 -9.695 -4.968 5.571 1.00 0.00 O ATOM 127 OD2 ASP A 11 -9.282 -2.903 6.258 1.00 0.00 O ATOM 0 H ASP A 11 -5.321 -5.112 7.272 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.961 -5.812 8.003 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.087 -3.670 7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.938 -4.489 5.480 1.00 0.00 H new ATOM 132 N ALA A 12 -8.934 -7.378 6.198 1.00 0.00 N ATOM 133 CA ALA A 12 -9.379 -8.479 5.350 1.00 0.00 C ATOM 134 C ALA A 12 -9.157 -8.068 3.897 1.00 0.00 C ATOM 135 O ALA A 12 -8.647 -8.823 3.068 1.00 0.00 O ATOM 136 CB ALA A 12 -10.856 -8.774 5.624 1.00 0.00 C ATOM 0 H ALA A 12 -9.684 -6.907 6.704 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.816 -9.388 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.187 -9.597 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.984 -9.049 6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.451 -7.887 5.407 1.00 0.00 H new ATOM 142 N THR A 13 -9.506 -6.817 3.619 1.00 0.00 N ATOM 143 CA THR A 13 -9.291 -6.154 2.356 1.00 0.00 C ATOM 144 C THR A 13 -7.791 -6.115 2.055 1.00 0.00 C ATOM 145 O THR A 13 -7.367 -6.380 0.933 1.00 0.00 O ATOM 146 CB THR A 13 -9.888 -4.741 2.455 1.00 0.00 C ATOM 147 OG1 THR A 13 -11.027 -4.717 3.296 1.00 0.00 O ATOM 148 CG2 THR A 13 -10.287 -4.239 1.066 1.00 0.00 C ATOM 0 H THR A 13 -9.966 -6.218 4.304 1.00 0.00 H new ATOM 0 HA THR A 13 -9.778 -6.687 1.539 1.00 0.00 H new ATOM 0 HB THR A 13 -9.123 -4.092 2.883 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.755 -4.483 4.208 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.709 -3.237 1.148 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.407 -4.211 0.423 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.030 -4.911 0.636 1.00 0.00 H new ATOM 156 N ALA A 14 -6.974 -5.808 3.068 1.00 0.00 N ATOM 157 CA ALA A 14 -5.528 -5.817 2.908 1.00 0.00 C ATOM 158 C ALA A 14 -5.063 -7.201 2.489 1.00 0.00 C ATOM 159 O ALA A 14 -4.346 -7.329 1.505 1.00 0.00 O ATOM 160 CB ALA A 14 -4.804 -5.417 4.190 1.00 0.00 C ATOM 0 H ALA A 14 -7.294 -5.552 4.002 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.285 -5.084 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.727 -5.438 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.106 -4.411 4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.061 -6.116 4.986 1.00 0.00 H new ATOM 166 N ILE A 15 -5.485 -8.229 3.223 1.00 0.00 N ATOM 167 CA ILE A 15 -5.147 -9.616 2.961 1.00 0.00 C ATOM 168 C ILE A 15 -5.521 -9.964 1.518 1.00 0.00 C ATOM 169 O ILE A 15 -4.691 -10.504 0.792 1.00 0.00 O ATOM 170 CB ILE A 15 -5.786 -10.511 4.035 1.00 0.00 C ATOM 171 CG1 ILE A 15 -4.937 -10.375 5.309 1.00 0.00 C ATOM 172 CG2 ILE A 15 -5.870 -11.976 3.589 1.00 0.00 C ATOM 173 CD1 ILE A 15 -5.657 -10.875 6.557 1.00 0.00 C ATOM 0 H ILE A 15 -6.088 -8.111 4.037 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.074 -9.791 3.037 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.812 -10.191 4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.009 -10.933 5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.664 -9.329 5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.328 -12.571 4.379 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.474 -12.047 2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.867 -12.353 3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.008 -10.754 7.425 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.571 -10.300 6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.907 -11.929 6.435 1.00 0.00 H new ATOM 185 N ALA A 16 -6.721 -9.588 1.069 1.00 0.00 N ATOM 186 CA ALA A 16 -7.123 -9.773 -0.323 1.00 0.00 C ATOM 187 C ALA A 16 -6.120 -9.168 -1.320 1.00 0.00 C ATOM 188 O ALA A 16 -5.934 -9.713 -2.406 1.00 0.00 O ATOM 189 CB ALA A 16 -8.532 -9.216 -0.545 1.00 0.00 C ATOM 0 H ALA A 16 -7.433 -9.152 1.655 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.132 -10.846 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.820 -9.360 -1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.236 -9.739 0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.544 -8.152 -0.309 1.00 0.00 H new ATOM 195 N LEU A 17 -5.467 -8.056 -0.964 1.00 0.00 N ATOM 196 CA LEU A 17 -4.443 -7.409 -1.793 1.00 0.00 C ATOM 197 C LEU A 17 -3.029 -7.848 -1.406 1.00 0.00 C ATOM 198 O LEU A 17 -2.076 -7.528 -2.109 1.00 0.00 O ATOM 199 CB LEU A 17 -4.622 -5.887 -1.748 1.00 0.00 C ATOM 200 CG LEU A 17 -6.019 -5.411 -2.184 1.00 0.00 C ATOM 201 CD1 LEU A 17 -5.995 -3.884 -2.292 1.00 0.00 C ATOM 202 CD2 LEU A 17 -6.457 -5.983 -3.538 1.00 0.00 C ATOM 0 H LEU A 17 -5.637 -7.574 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.577 -7.732 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.430 -5.538 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.874 -5.424 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.730 -5.762 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.977 -3.526 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.740 -3.455 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.251 -3.583 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.450 -5.609 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.750 -5.676 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.483 -7.071 -3.482 1.00 0.00 H new ATOM 214 N LYS A 18 -2.871 -8.577 -0.301 1.00 0.00 N ATOM 215 CA LYS A 18 -1.619 -8.740 0.407 1.00 0.00 C ATOM 216 C LYS A 18 -0.932 -7.390 0.626 1.00 0.00 C ATOM 217 O LYS A 18 0.293 -7.301 0.576 1.00 0.00 O ATOM 218 CB LYS A 18 -0.759 -9.796 -0.292 1.00 0.00 C ATOM 219 CG LYS A 18 -1.480 -11.150 -0.398 1.00 0.00 C ATOM 220 CD LYS A 18 -1.870 -11.819 0.935 1.00 0.00 C ATOM 221 CE LYS A 18 -0.699 -12.407 1.733 1.00 0.00 C ATOM 222 NZ LYS A 18 0.092 -11.413 2.490 1.00 0.00 N ATOM 0 H LYS A 18 -3.642 -9.084 0.133 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.801 -9.122 1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.496 -9.446 -1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.174 -9.924 0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.385 -11.011 -0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.840 -11.837 -0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.381 -11.084 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.586 -12.615 0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.088 -13.149 2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.036 -12.932 1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.881 -11.891 2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.468 -10.697 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.516 -10.951 3.196 1.00 0.00 H new ATOM 236 N TYR A 19 -1.723 -6.356 0.939 1.00 0.00 N ATOM 237 CA TYR A 19 -1.170 -5.128 1.488 1.00 0.00 C ATOM 238 C TYR A 19 -0.607 -5.444 2.870 1.00 0.00 C ATOM 239 O TYR A 19 -1.051 -6.384 3.528 1.00 0.00 O ATOM 240 CB TYR A 19 -2.212 -3.991 1.527 1.00 0.00 C ATOM 241 CG TYR A 19 -1.940 -2.829 2.487 1.00 0.00 C ATOM 242 CD1 TYR A 19 -2.278 -2.954 3.849 1.00 0.00 C ATOM 243 CD2 TYR A 19 -1.409 -1.602 2.035 1.00 0.00 C ATOM 244 CE1 TYR A 19 -2.267 -1.835 4.694 1.00 0.00 C ATOM 245 CE2 TYR A 19 -1.238 -0.534 2.938 1.00 0.00 C ATOM 246 CZ TYR A 19 -1.814 -0.600 4.213 1.00 0.00 C ATOM 247 OH TYR A 19 -1.997 0.544 4.936 1.00 0.00 O ATOM 0 H TYR A 19 -2.736 -6.352 0.820 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.371 -4.762 0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.306 -3.583 0.520 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.177 -4.425 1.786 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.548 -3.921 4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.134 -1.482 0.998 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.608 -1.925 5.715 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.664 0.334 2.648 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.710 0.405 5.594 1.00 0.00 H new ATOM 257 N ASN A 20 0.368 -4.651 3.313 1.00 0.00 N ATOM 258 CA ASN A 20 0.911 -4.735 4.652 1.00 0.00 C ATOM 259 C ASN A 20 1.620 -3.409 4.911 1.00 0.00 C ATOM 260 O ASN A 20 2.633 -3.143 4.270 1.00 0.00 O ATOM 261 CB ASN A 20 1.867 -5.940 4.726 1.00 0.00 C ATOM 262 CG ASN A 20 1.505 -6.970 5.778 1.00 0.00 C ATOM 263 OD1 ASN A 20 0.780 -6.717 6.734 1.00 0.00 O ATOM 264 ND2 ASN A 20 2.070 -8.161 5.648 1.00 0.00 N ATOM 0 H ASN A 20 0.802 -3.927 2.740 1.00 0.00 H new ATOM 0 HA ASN A 20 0.147 -4.891 5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.891 -6.428 3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.875 -5.576 4.925 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.904 -8.883 6.349 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.671 -8.356 4.847 1.00 0.00 H new ATOM 271 N GLN A 21 1.068 -2.559 5.787 1.00 0.00 N ATOM 272 CA GLN A 21 1.682 -1.313 6.242 1.00 0.00 C ATOM 273 C GLN A 21 3.152 -1.562 6.580 1.00 0.00 C ATOM 274 O GLN A 21 4.061 -0.896 6.085 1.00 0.00 O ATOM 275 CB GLN A 21 1.006 -0.865 7.543 1.00 0.00 C ATOM 276 CG GLN A 21 -0.383 -0.245 7.445 1.00 0.00 C ATOM 277 CD GLN A 21 -0.897 0.100 8.840 1.00 0.00 C ATOM 278 OE1 GLN A 21 -1.845 -0.501 9.334 1.00 0.00 O ATOM 279 NE2 GLN A 21 -0.254 1.056 9.505 1.00 0.00 N ATOM 0 H GLN A 21 0.155 -2.728 6.209 1.00 0.00 H new ATOM 0 HA GLN A 21 1.578 -0.564 5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.941 -1.731 8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.662 -0.143 8.030 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.347 0.653 6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.067 -0.939 6.957 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.532 1.540 9.070 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.546 1.305 10.450 1.00 0.00 H new ATOM 288 N ASP A 22 3.360 -2.544 7.455 1.00 0.00 N ATOM 289 CA ASP A 22 4.644 -3.111 7.781 1.00 0.00 C ATOM 290 C ASP A 22 5.075 -3.938 6.578 1.00 0.00 C ATOM 291 O ASP A 22 4.984 -5.160 6.572 1.00 0.00 O ATOM 292 CB ASP A 22 4.539 -3.927 9.085 1.00 0.00 C ATOM 293 CG ASP A 22 3.398 -4.942 9.133 1.00 0.00 C ATOM 294 OD1 ASP A 22 2.458 -4.851 8.313 1.00 0.00 O ATOM 295 OD2 ASP A 22 3.419 -5.799 10.042 1.00 0.00 O ATOM 0 H ASP A 22 2.596 -2.978 7.973 1.00 0.00 H new ATOM 0 HA ASP A 22 5.401 -2.351 7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.480 -4.456 9.240 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.422 -3.234 9.919 1.00 0.00 H new ATOM 300 N ALA A 23 5.548 -3.253 5.536 1.00 0.00 N ATOM 301 CA ALA A 23 5.953 -3.870 4.281 1.00 0.00 C ATOM 302 C ALA A 23 6.969 -4.997 4.480 1.00 0.00 C ATOM 303 O ALA A 23 6.977 -5.955 3.714 1.00 0.00 O ATOM 304 CB ALA A 23 6.496 -2.793 3.345 1.00 0.00 C ATOM 0 H ALA A 23 5.661 -2.239 5.545 1.00 0.00 H new ATOM 0 HA ALA A 23 5.075 -4.335 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.801 -3.249 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.720 -2.052 3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.355 -2.308 3.808 1.00 0.00 H new ATOM 310 N THR A 24 7.801 -4.932 5.517 1.00 0.00 N ATOM 311 CA THR A 24 8.704 -6.010 5.890 1.00 0.00 C ATOM 312 C THR A 24 7.954 -7.318 6.202 1.00 0.00 C ATOM 313 O THR A 24 8.488 -8.399 5.969 1.00 0.00 O ATOM 314 CB THR A 24 9.526 -5.523 7.089 1.00 0.00 C ATOM 315 OG1 THR A 24 8.674 -4.800 7.960 1.00 0.00 O ATOM 316 CG2 THR A 24 10.640 -4.579 6.622 1.00 0.00 C ATOM 0 H THR A 24 7.865 -4.117 6.127 1.00 0.00 H new ATOM 0 HA THR A 24 9.360 -6.250 5.054 1.00 0.00 H new ATOM 0 HB THR A 24 9.964 -6.385 7.592 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.188 -4.484 8.733 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.216 -4.241 7.484 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.297 -5.106 5.931 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.200 -3.718 6.119 1.00 0.00 H new ATOM 324 N LYS A 25 6.722 -7.233 6.718 1.00 0.00 N ATOM 325 CA LYS A 25 5.836 -8.376 6.923 1.00 0.00 C ATOM 326 C LYS A 25 5.215 -8.846 5.600 1.00 0.00 C ATOM 327 O LYS A 25 4.644 -9.933 5.549 1.00 0.00 O ATOM 328 CB LYS A 25 4.752 -8.025 7.967 1.00 0.00 C ATOM 329 CG LYS A 25 4.036 -9.280 8.500 1.00 0.00 C ATOM 330 CD LYS A 25 3.152 -9.037 9.737 1.00 0.00 C ATOM 331 CE LYS A 25 1.669 -8.702 9.476 1.00 0.00 C ATOM 332 NZ LYS A 25 1.389 -7.267 9.267 1.00 0.00 N ATOM 0 H LYS A 25 6.308 -6.347 7.009 1.00 0.00 H new ATOM 0 HA LYS A 25 6.426 -9.207 7.309 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.209 -7.488 8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.020 -7.353 7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.418 -9.695 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.785 -10.032 8.747 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.194 -9.927 10.365 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.589 -8.220 10.312 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.334 -9.255 8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.077 -9.055 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.421 -7.053 9.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.065 -6.698 9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.484 -7.038 8.257 1.00 0.00 H new ATOM 346 N SER A 26 5.276 -8.045 4.529 1.00 0.00 N ATOM 347 CA SER A 26 4.793 -8.482 3.229 1.00 0.00 C ATOM 348 C SER A 26 5.723 -9.533 2.640 1.00 0.00 C ATOM 349 O SER A 26 6.915 -9.593 2.935 1.00 0.00 O ATOM 350 CB SER A 26 4.653 -7.310 2.249 1.00 0.00 C ATOM 351 OG SER A 26 4.091 -7.757 1.031 1.00 0.00 O ATOM 0 H SER A 26 5.654 -7.098 4.544 1.00 0.00 H new ATOM 0 HA SER A 26 3.805 -8.916 3.382 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.024 -6.535 2.686 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.629 -6.862 2.065 1.00 0.00 H new ATOM 0 HG SER A 26 3.838 -6.984 0.484 1.00 0.00 H new ATOM 357 N GLU A 27 5.159 -10.298 1.714 1.00 0.00 N ATOM 358 CA GLU A 27 5.865 -11.236 0.861 1.00 0.00 C ATOM 359 C GLU A 27 6.372 -10.538 -0.408 1.00 0.00 C ATOM 360 O GLU A 27 6.738 -11.210 -1.370 1.00 0.00 O ATOM 361 CB GLU A 27 4.971 -12.450 0.570 1.00 0.00 C ATOM 362 CG GLU A 27 3.540 -12.085 0.163 1.00 0.00 C ATOM 363 CD GLU A 27 2.686 -11.720 1.360 1.00 0.00 C ATOM 364 OE1 GLU A 27 2.306 -12.626 2.133 1.00 0.00 O ATOM 365 OE2 GLU A 27 2.360 -10.519 1.504 1.00 0.00 O ATOM 0 H GLU A 27 4.156 -10.278 1.532 1.00 0.00 H new ATOM 0 HA GLU A 27 6.751 -11.609 1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.425 -13.040 -0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.936 -13.083 1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.564 -11.248 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.087 -12.925 -0.363 1.00 0.00 H new ATOM 372 N ARG A 28 6.447 -9.200 -0.414 1.00 0.00 N ATOM 373 CA ARG A 28 6.986 -8.428 -1.524 1.00 0.00 C ATOM 374 C ARG A 28 8.332 -8.975 -2.008 1.00 0.00 C ATOM 375 O ARG A 28 8.558 -9.090 -3.207 1.00 0.00 O ATOM 376 CB ARG A 28 7.046 -6.941 -1.150 1.00 0.00 C ATOM 377 CG ARG A 28 7.902 -6.614 0.076 1.00 0.00 C ATOM 378 CD ARG A 28 7.991 -5.099 0.271 1.00 0.00 C ATOM 379 NE ARG A 28 8.944 -4.778 1.349 1.00 0.00 N ATOM 380 CZ ARG A 28 9.385 -3.549 1.655 1.00 0.00 C ATOM 381 NH1 ARG A 28 8.996 -2.479 0.963 1.00 0.00 N ATOM 382 NH2 ARG A 28 10.293 -3.369 2.614 1.00 0.00 N ATOM 0 H ARG A 28 6.129 -8.623 0.365 1.00 0.00 H new ATOM 0 HA ARG A 28 6.311 -8.528 -2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.432 -6.383 -2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.031 -6.586 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.471 -7.077 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.901 -7.031 -0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.308 -4.624 -0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.007 -4.698 0.515 1.00 0.00 H new ATOM 0 HE ARG A 28 9.297 -5.555 1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.349 -2.585 0.182 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.345 -1.554 1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.661 -4.171 3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.620 -2.429 2.837 1.00 0.00 H new ATOM 396 N VAL A 29 9.203 -9.356 -1.072 1.00 0.00 N ATOM 397 CA VAL A 29 10.475 -10.028 -1.328 1.00 0.00 C ATOM 398 C VAL A 29 10.290 -11.294 -2.164 1.00 0.00 C ATOM 399 O VAL A 29 11.039 -11.528 -3.108 1.00 0.00 O ATOM 400 CB VAL A 29 11.178 -10.272 0.020 1.00 0.00 C ATOM 401 CG1 VAL A 29 11.770 -11.673 0.207 1.00 0.00 C ATOM 402 CG2 VAL A 29 12.284 -9.236 0.241 1.00 0.00 C ATOM 0 H VAL A 29 9.034 -9.198 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 29 11.120 -9.393 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 29 10.385 -10.175 0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.242 -11.741 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.976 -12.416 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.514 -11.860 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.771 -9.422 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.019 -9.311 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.851 -8.236 0.243 1.00 0.00 H new ATOM 412 N ALA A 30 9.303 -12.116 -1.810 1.00 0.00 N ATOM 413 CA ALA A 30 9.040 -13.364 -2.513 1.00 0.00 C ATOM 414 C ALA A 30 8.449 -13.072 -3.892 1.00 0.00 C ATOM 415 O ALA A 30 8.852 -13.671 -4.886 1.00 0.00 O ATOM 416 CB ALA A 30 8.108 -14.253 -1.685 1.00 0.00 C ATOM 0 H ALA A 30 8.669 -11.934 -1.032 1.00 0.00 H new ATOM 0 HA ALA A 30 9.978 -13.902 -2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.920 -15.183 -2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.575 -14.476 -0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.165 -13.734 -1.517 1.00 0.00 H new ATOM 422 N ALA A 31 7.484 -12.150 -3.949 1.00 0.00 N ATOM 423 CA ALA A 31 6.834 -11.759 -5.191 1.00 0.00 C ATOM 424 C ALA A 31 7.835 -11.144 -6.174 1.00 0.00 C ATOM 425 O ALA A 31 7.755 -11.402 -7.372 1.00 0.00 O ATOM 426 CB ALA A 31 5.700 -10.777 -4.885 1.00 0.00 C ATOM 0 H ALA A 31 7.134 -11.655 -3.129 1.00 0.00 H new ATOM 0 HA ALA A 31 6.421 -12.650 -5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.212 -10.483 -5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.972 -11.254 -4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.107 -9.893 -4.394 1.00 0.00 H new ATOM 432 N ALA A 32 8.740 -10.305 -5.658 1.00 0.00 N ATOM 433 CA ALA A 32 9.755 -9.564 -6.397 1.00 0.00 C ATOM 434 C ALA A 32 9.216 -9.015 -7.721 1.00 0.00 C ATOM 435 O ALA A 32 9.773 -9.269 -8.788 1.00 0.00 O ATOM 436 CB ALA A 32 11.008 -10.427 -6.581 1.00 0.00 C ATOM 0 H ALA A 32 8.782 -10.118 -4.656 1.00 0.00 H new ATOM 0 HA ALA A 32 10.038 -8.690 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.760 -9.864 -7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.407 -10.702 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.750 -11.329 -7.135 1.00 0.00 H new ATOM 442 N ARG A 33 8.125 -8.243 -7.649 1.00 0.00 N ATOM 443 CA ARG A 33 7.522 -7.652 -8.836 1.00 0.00 C ATOM 444 C ARG A 33 8.559 -6.789 -9.565 1.00 0.00 C ATOM 445 O ARG A 33 9.315 -6.087 -8.897 1.00 0.00 O ATOM 446 CB ARG A 33 6.282 -6.850 -8.461 1.00 0.00 C ATOM 447 CG ARG A 33 5.177 -7.880 -8.247 1.00 0.00 C ATOM 448 CD ARG A 33 3.934 -7.234 -7.676 1.00 0.00 C ATOM 449 NE ARG A 33 3.396 -6.174 -8.544 1.00 0.00 N ATOM 450 CZ ARG A 33 2.571 -6.321 -9.590 1.00 0.00 C ATOM 451 NH1 ARG A 33 2.124 -7.531 -9.936 1.00 0.00 N ATOM 452 NH2 ARG A 33 2.214 -5.239 -10.290 1.00 0.00 N ATOM 0 H ARG A 33 7.646 -8.016 -6.777 1.00 0.00 H new ATOM 0 HA ARG A 33 7.202 -8.443 -9.514 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.452 -6.264 -7.558 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.016 -6.148 -9.251 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.937 -8.363 -9.194 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.528 -8.660 -7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.170 -7.997 -7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.164 -6.814 -6.697 1.00 0.00 H new ATOM 0 HE ARG A 33 3.683 -5.220 -8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.410 -8.352 -9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.496 -7.634 -10.733 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.569 -4.320 -10.025 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.587 -5.333 -11.089 1.00 0.00 H new ATOM 466 N PRO A 34 8.632 -6.828 -10.902 1.00 0.00 N ATOM 467 CA PRO A 34 9.624 -6.066 -11.637 1.00 0.00 C ATOM 468 C PRO A 34 9.371 -4.564 -11.481 1.00 0.00 C ATOM 469 O PRO A 34 8.223 -4.128 -11.400 1.00 0.00 O ATOM 470 CB PRO A 34 9.499 -6.527 -13.091 1.00 0.00 C ATOM 471 CG PRO A 34 8.048 -7.002 -13.190 1.00 0.00 C ATOM 472 CD PRO A 34 7.778 -7.583 -11.801 1.00 0.00 C ATOM 0 HA PRO A 34 10.635 -6.234 -11.266 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.704 -5.715 -13.789 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.201 -7.329 -13.320 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.370 -6.181 -13.422 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.921 -7.751 -13.972 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.728 -7.479 -11.528 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.012 -8.647 -11.766 1.00 0.00 H new ATOM 480 N GLY A 35 10.450 -3.777 -11.443 1.00 0.00 N ATOM 481 CA GLY A 35 10.394 -2.327 -11.337 1.00 0.00 C ATOM 482 C GLY A 35 11.568 -1.809 -10.510 1.00 0.00 C ATOM 483 O GLY A 35 12.422 -1.095 -11.025 1.00 0.00 O ATOM 0 H GLY A 35 11.401 -4.142 -11.486 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.417 -1.882 -12.332 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.454 -2.026 -10.875 1.00 0.00 H new ATOM 487 N LEU A 36 11.604 -2.182 -9.230 1.00 0.00 N ATOM 488 CA LEU A 36 12.617 -1.785 -8.256 1.00 0.00 C ATOM 489 C LEU A 36 12.707 -2.943 -7.252 1.00 0.00 C ATOM 490 O LEU A 36 11.814 -3.794 -7.242 1.00 0.00 O ATOM 491 CB LEU A 36 12.206 -0.450 -7.600 1.00 0.00 C ATOM 492 CG LEU A 36 13.221 0.704 -7.686 1.00 0.00 C ATOM 493 CD1 LEU A 36 13.593 1.082 -9.122 1.00 0.00 C ATOM 494 CD2 LEU A 36 12.625 1.936 -6.992 1.00 0.00 C ATOM 0 H LEU A 36 10.896 -2.796 -8.828 1.00 0.00 H new ATOM 0 HA LEU A 36 13.596 -1.610 -8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.274 -0.118 -8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.994 -0.639 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 36 14.134 0.363 -7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 36 14.312 1.901 -9.108 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.035 0.220 -9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.698 1.394 -9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.334 2.762 -7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.698 2.221 -7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.419 1.701 -5.948 1.00 0.00 H new ATOM 506 N PRO A 37 13.770 -3.030 -6.440 1.00 0.00 N ATOM 507 CA PRO A 37 14.018 -4.184 -5.596 1.00 0.00 C ATOM 508 C PRO A 37 12.971 -4.208 -4.479 1.00 0.00 C ATOM 509 O PRO A 37 12.497 -3.143 -4.073 1.00 0.00 O ATOM 510 CB PRO A 37 15.456 -4.020 -5.096 1.00 0.00 C ATOM 511 CG PRO A 37 15.713 -2.513 -5.145 1.00 0.00 C ATOM 512 CD PRO A 37 14.711 -1.965 -6.166 1.00 0.00 C ATOM 0 HA PRO A 37 13.927 -5.142 -6.108 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.570 -4.409 -4.084 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.159 -4.563 -5.727 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.566 -2.057 -4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.738 -2.298 -5.446 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.198 -1.088 -5.772 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.220 -1.654 -7.079 1.00 0.00 H new ATOM 520 N PRO A 38 12.573 -5.401 -4.004 1.00 0.00 N ATOM 521 CA PRO A 38 11.350 -5.587 -3.244 1.00 0.00 C ATOM 522 C PRO A 38 11.288 -4.641 -2.058 1.00 0.00 C ATOM 523 O PRO A 38 10.264 -4.010 -1.829 1.00 0.00 O ATOM 524 CB PRO A 38 11.300 -7.056 -2.825 1.00 0.00 C ATOM 525 CG PRO A 38 12.725 -7.565 -3.037 1.00 0.00 C ATOM 526 CD PRO A 38 13.293 -6.656 -4.126 1.00 0.00 C ATOM 0 HA PRO A 38 10.475 -5.348 -3.849 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.992 -7.161 -1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.585 -7.616 -3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.311 -7.501 -2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.732 -8.610 -3.347 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.365 -6.507 -3.993 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.152 -7.094 -5.114 1.00 0.00 H new ATOM 534 N GLU A 39 12.386 -4.490 -1.323 1.00 0.00 N ATOM 535 CA GLU A 39 12.345 -3.688 -0.120 1.00 0.00 C ATOM 536 C GLU A 39 12.066 -2.199 -0.373 1.00 0.00 C ATOM 537 O GLU A 39 11.463 -1.540 0.482 1.00 0.00 O ATOM 538 CB GLU A 39 13.516 -4.029 0.797 1.00 0.00 C ATOM 539 CG GLU A 39 13.409 -5.503 1.244 1.00 0.00 C ATOM 540 CD GLU A 39 12.152 -5.732 2.086 1.00 0.00 C ATOM 541 OE1 GLU A 39 12.106 -5.180 3.207 1.00 0.00 O ATOM 542 OE2 GLU A 39 11.155 -6.270 1.558 1.00 0.00 O ATOM 0 H GLU A 39 13.293 -4.905 -1.538 1.00 0.00 H new ATOM 0 HA GLU A 39 11.459 -3.964 0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.459 -3.863 0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.513 -3.373 1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.387 -6.151 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.292 -5.777 1.821 1.00 0.00 H new ATOM 549 N GLU A 40 12.394 -1.685 -1.564 1.00 0.00 N ATOM 550 CA GLU A 40 11.988 -0.349 -1.966 1.00 0.00 C ATOM 551 C GLU A 40 10.501 -0.306 -2.333 1.00 0.00 C ATOM 552 O GLU A 40 9.905 0.763 -2.347 1.00 0.00 O ATOM 553 CB GLU A 40 12.840 0.120 -3.156 1.00 0.00 C ATOM 554 CG GLU A 40 13.486 1.485 -2.898 1.00 0.00 C ATOM 555 CD GLU A 40 12.474 2.599 -2.642 1.00 0.00 C ATOM 556 OE1 GLU A 40 11.870 3.092 -3.623 1.00 0.00 O ATOM 557 OE2 GLU A 40 12.286 2.920 -1.446 1.00 0.00 O ATOM 0 H GLU A 40 12.943 -2.184 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 40 12.145 0.322 -1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.618 -0.617 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.216 0.177 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.153 1.406 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.102 1.755 -3.756 1.00 0.00 H new ATOM 564 N GLN A 41 9.877 -1.427 -2.685 1.00 0.00 N ATOM 565 CA GLN A 41 8.502 -1.407 -3.159 1.00 0.00 C ATOM 566 C GLN A 41 7.587 -1.011 -2.011 1.00 0.00 C ATOM 567 O GLN A 41 7.463 -1.766 -1.047 1.00 0.00 O ATOM 568 CB GLN A 41 8.093 -2.774 -3.710 1.00 0.00 C ATOM 569 CG GLN A 41 9.006 -3.182 -4.864 1.00 0.00 C ATOM 570 CD GLN A 41 8.541 -4.453 -5.558 1.00 0.00 C ATOM 571 OE1 GLN A 41 7.461 -4.977 -5.288 1.00 0.00 O ATOM 572 NE2 GLN A 41 9.372 -4.944 -6.468 1.00 0.00 N ATOM 0 H GLN A 41 10.301 -2.354 -2.650 1.00 0.00 H new ATOM 0 HA GLN A 41 8.417 -0.681 -3.968 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.143 -3.521 -2.918 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.059 -2.740 -4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.050 -2.371 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.018 -3.328 -4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.257 -4.474 -6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.126 -5.792 -6.979 1.00 0.00 H new ATOM 581 N HIS A 42 6.951 0.158 -2.095 1.00 0.00 N ATOM 582 CA HIS A 42 6.011 0.590 -1.075 1.00 0.00 C ATOM 583 C HIS A 42 5.119 1.678 -1.648 1.00 0.00 C ATOM 584 O HIS A 42 5.625 2.476 -2.429 1.00 0.00 O ATOM 585 CB HIS A 42 6.760 1.061 0.191 1.00 0.00 C ATOM 586 CG HIS A 42 7.935 1.974 -0.095 1.00 0.00 C ATOM 587 ND1 HIS A 42 7.974 2.897 -1.120 1.00 0.00 N ATOM 588 CD2 HIS A 42 9.204 1.867 0.414 1.00 0.00 C ATOM 589 CE1 HIS A 42 9.231 3.355 -1.233 1.00 0.00 C ATOM 590 NE2 HIS A 42 9.994 2.743 -0.312 1.00 0.00 N ATOM 0 H HIS A 42 7.074 0.819 -2.862 1.00 0.00 H new ATOM 0 HA HIS A 42 5.381 -0.247 -0.775 1.00 0.00 H new ATOM 0 HB2 HIS A 42 6.059 1.581 0.844 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.116 0.187 0.737 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.524 1.226 1.222 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.572 4.092 -1.945 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.992 2.898 -0.170 1.00 0.00 H new ATOM 599 N CYS A 43 3.836 1.720 -1.278 1.00 0.00 N ATOM 600 CA CYS A 43 2.803 2.553 -1.896 1.00 0.00 C ATOM 601 C CYS A 43 3.277 3.963 -2.309 1.00 0.00 C ATOM 602 O CYS A 43 2.896 4.457 -3.370 1.00 0.00 O ATOM 603 CB CYS A 43 1.588 2.617 -1.010 1.00 0.00 C ATOM 604 SG CYS A 43 0.810 0.995 -0.708 1.00 0.00 S ATOM 0 H CYS A 43 3.476 1.153 -0.511 1.00 0.00 H new ATOM 0 HA CYS A 43 2.543 2.064 -2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.870 3.058 -0.054 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.854 3.283 -1.464 1.00 0.00 H new ATOM 609 N ALA A 44 4.142 4.612 -1.518 1.00 0.00 N ATOM 610 CA ALA A 44 4.852 5.833 -1.917 1.00 0.00 C ATOM 611 C ALA A 44 5.248 5.848 -3.408 1.00 0.00 C ATOM 612 O ALA A 44 4.909 6.779 -4.141 1.00 0.00 O ATOM 613 CB ALA A 44 6.095 6.027 -1.046 1.00 0.00 C ATOM 0 H ALA A 44 4.370 4.300 -0.574 1.00 0.00 H new ATOM 0 HA ALA A 44 4.157 6.659 -1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.614 6.936 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.797 6.112 -0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.760 5.172 -1.165 1.00 0.00 H new ATOM 619 N ASN A 45 5.958 4.805 -3.856 1.00 0.00 N ATOM 620 CA ASN A 45 6.448 4.632 -5.221 1.00 0.00 C ATOM 621 C ASN A 45 5.573 3.662 -6.021 1.00 0.00 C ATOM 622 O ASN A 45 6.054 3.089 -6.996 1.00 0.00 O ATOM 623 CB ASN A 45 7.932 4.201 -5.223 1.00 0.00 C ATOM 624 CG ASN A 45 8.198 2.795 -4.678 1.00 0.00 C ATOM 625 OD1 ASN A 45 7.287 2.013 -4.421 1.00 0.00 O ATOM 626 ND2 ASN A 45 9.449 2.446 -4.422 1.00 0.00 N ATOM 0 H ASN A 45 6.215 4.028 -3.248 1.00 0.00 H new ATOM 0 HA ASN A 45 6.383 5.598 -5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.309 4.256 -6.244 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.504 4.917 -4.633 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.651 1.533 -4.014 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.211 3.090 -4.633 1.00 0.00 H new ATOM 633 N CYS A 46 4.298 3.503 -5.651 1.00 0.00 N ATOM 634 CA CYS A 46 3.314 2.769 -6.437 1.00 0.00 C ATOM 635 C CYS A 46 2.566 3.746 -7.345 1.00 0.00 C ATOM 636 O CYS A 46 2.357 4.908 -6.988 1.00 0.00 O ATOM 637 CB CYS A 46 2.367 2.052 -5.521 1.00 0.00 C ATOM 638 SG CYS A 46 1.129 1.093 -6.421 1.00 0.00 S ATOM 0 H CYS A 46 3.920 3.887 -4.785 1.00 0.00 H new ATOM 0 HA CYS A 46 3.812 2.026 -7.059 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.932 1.388 -4.867 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.865 2.778 -4.881 1.00 0.00 H new ATOM 643 N GLN A 47 2.205 3.296 -8.541 1.00 0.00 N ATOM 644 CA GLN A 47 1.535 4.068 -9.568 1.00 0.00 C ATOM 645 C GLN A 47 0.078 4.312 -9.177 1.00 0.00 C ATOM 646 O GLN A 47 -0.446 5.409 -9.367 1.00 0.00 O ATOM 647 CB GLN A 47 1.675 3.289 -10.891 1.00 0.00 C ATOM 648 CG GLN A 47 1.087 3.983 -12.126 1.00 0.00 C ATOM 649 CD GLN A 47 1.895 5.171 -12.639 1.00 0.00 C ATOM 650 OE1 GLN A 47 2.486 5.917 -11.868 1.00 0.00 O ATOM 651 NE2 GLN A 47 1.955 5.358 -13.953 1.00 0.00 N ATOM 0 H GLN A 47 2.383 2.334 -8.830 1.00 0.00 H new ATOM 0 HA GLN A 47 1.984 5.054 -9.688 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.733 3.098 -11.071 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.192 2.319 -10.775 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.996 3.250 -12.928 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.079 4.323 -11.889 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.457 4.727 -14.581 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.499 6.132 -14.334 1.00 0.00 H new ATOM 660 N PHE A 48 -0.590 3.291 -8.637 1.00 0.00 N ATOM 661 CA PHE A 48 -2.024 3.325 -8.389 1.00 0.00 C ATOM 662 C PHE A 48 -2.333 4.046 -7.075 1.00 0.00 C ATOM 663 O PHE A 48 -3.004 3.495 -6.208 1.00 0.00 O ATOM 664 CB PHE A 48 -2.571 1.892 -8.399 1.00 0.00 C ATOM 665 CG PHE A 48 -2.182 1.066 -9.612 1.00 0.00 C ATOM 666 CD1 PHE A 48 -2.297 1.606 -10.908 1.00 0.00 C ATOM 667 CD2 PHE A 48 -1.725 -0.255 -9.446 1.00 0.00 C ATOM 668 CE1 PHE A 48 -1.906 0.850 -12.026 1.00 0.00 C ATOM 669 CE2 PHE A 48 -1.386 -1.028 -10.570 1.00 0.00 C ATOM 670 CZ PHE A 48 -1.449 -0.468 -11.857 1.00 0.00 C ATOM 0 H PHE A 48 -0.145 2.416 -8.360 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.519 3.889 -9.180 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.223 1.380 -7.502 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.659 1.934 -8.340 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.687 2.604 -11.043 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.635 -0.675 -8.455 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.957 1.282 -13.015 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.076 -2.055 -10.444 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.147 -1.050 -12.715 1.00 0.00 H new ATOM 680 N MET A 49 -1.851 5.280 -6.937 1.00 0.00 N ATOM 681 CA MET A 49 -1.761 6.009 -5.681 1.00 0.00 C ATOM 682 C MET A 49 -2.475 7.362 -5.809 1.00 0.00 C ATOM 683 O MET A 49 -2.633 7.861 -6.924 1.00 0.00 O ATOM 684 CB MET A 49 -0.261 6.141 -5.392 1.00 0.00 C ATOM 685 CG MET A 49 0.096 6.701 -4.015 1.00 0.00 C ATOM 686 SD MET A 49 0.873 8.332 -4.066 1.00 0.00 S ATOM 687 CE MET A 49 1.550 8.357 -2.395 1.00 0.00 C ATOM 0 H MET A 49 -1.500 5.817 -7.730 1.00 0.00 H new ATOM 0 HA MET A 49 -2.254 5.500 -4.853 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.199 5.158 -5.496 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.183 6.783 -6.153 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.810 6.760 -3.412 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.768 6.005 -3.514 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.394 9.341 -1.954 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.048 7.604 -1.788 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.618 8.141 -2.432 1.00 0.00 H new ATOM 697 N GLN A 50 -2.940 7.931 -4.691 1.00 0.00 N ATOM 698 CA GLN A 50 -3.619 9.224 -4.624 1.00 0.00 C ATOM 699 C GLN A 50 -3.163 9.962 -3.360 1.00 0.00 C ATOM 700 O GLN A 50 -3.518 9.586 -2.243 1.00 0.00 O ATOM 701 CB GLN A 50 -5.139 9.036 -4.580 1.00 0.00 C ATOM 702 CG GLN A 50 -5.690 8.245 -5.770 1.00 0.00 C ATOM 703 CD GLN A 50 -7.190 8.002 -5.659 1.00 0.00 C ATOM 704 OE1 GLN A 50 -7.978 8.527 -6.435 1.00 0.00 O ATOM 705 NE2 GLN A 50 -7.601 7.162 -4.711 1.00 0.00 N ATOM 0 H GLN A 50 -2.849 7.486 -3.778 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.366 9.802 -5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.407 8.523 -3.657 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.618 10.015 -4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.479 8.787 -6.692 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.173 7.288 -5.838 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.924 6.738 -4.077 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.593 6.943 -4.619 1.00 0.00 H new ATOM 714 N ALA A 51 -2.373 11.020 -3.532 1.00 0.00 N ATOM 715 CA ALA A 51 -1.932 11.890 -2.440 1.00 0.00 C ATOM 716 C ALA A 51 -2.935 13.011 -2.173 1.00 0.00 C ATOM 717 O ALA A 51 -3.058 13.492 -1.050 1.00 0.00 O ATOM 718 CB ALA A 51 -0.527 12.415 -2.703 1.00 0.00 C ATOM 0 H ALA A 51 -2.016 11.302 -4.445 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.889 11.296 -1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.219 13.059 -1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.165 11.577 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.520 12.985 -3.632 1.00 0.00 H new ATOM 724 N ASP A 52 -3.665 13.381 -3.220 1.00 0.00 N ATOM 725 CA ASP A 52 -4.798 14.288 -3.253 1.00 0.00 C ATOM 726 C ASP A 52 -6.001 13.756 -2.466 1.00 0.00 C ATOM 727 O ASP A 52 -6.902 14.528 -2.144 1.00 0.00 O ATOM 728 CB ASP A 52 -5.187 14.452 -4.731 1.00 0.00 C ATOM 729 CG ASP A 52 -5.486 13.101 -5.379 1.00 0.00 C ATOM 730 OD1 ASP A 52 -4.527 12.293 -5.441 1.00 0.00 O ATOM 731 OD2 ASP A 52 -6.658 12.884 -5.747 1.00 0.00 O ATOM 0 H ASP A 52 -3.456 13.018 -4.150 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.517 15.233 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.062 15.097 -4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.378 14.945 -5.270 1.00 0.00 H new ATOM 736 N ALA A 53 -6.038 12.448 -2.178 1.00 0.00 N ATOM 737 CA ALA A 53 -7.180 11.788 -1.559 1.00 0.00 C ATOM 738 C ALA A 53 -7.664 12.526 -0.309 1.00 0.00 C ATOM 739 O ALA A 53 -6.932 12.653 0.673 1.00 0.00 O ATOM 740 CB ALA A 53 -6.817 10.342 -1.221 1.00 0.00 C ATOM 0 H ALA A 53 -5.262 11.816 -2.374 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.002 11.800 -2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.673 9.851 -0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.544 9.812 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.974 10.330 -0.530 1.00 0.00 H new ATOM 746 N ALA A 54 -8.916 12.993 -0.334 1.00 0.00 N ATOM 747 CA ALA A 54 -9.535 13.649 0.804 1.00 0.00 C ATOM 748 C ALA A 54 -9.396 12.773 2.052 1.00 0.00 C ATOM 749 O ALA A 54 -9.773 11.603 2.035 1.00 0.00 O ATOM 750 CB ALA A 54 -11.006 13.938 0.500 1.00 0.00 C ATOM 0 H ALA A 54 -9.524 12.923 -1.150 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.031 14.596 0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.465 14.430 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.076 14.588 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.526 13.002 0.298 1.00 0.00 H new ATOM 756 N GLY A 55 -8.833 13.338 3.122 1.00 0.00 N ATOM 757 CA GLY A 55 -8.595 12.629 4.371 1.00 0.00 C ATOM 758 C GLY A 55 -7.158 12.119 4.500 1.00 0.00 C ATOM 759 O GLY A 55 -6.772 11.695 5.587 1.00 0.00 O ATOM 0 H GLY A 55 -8.528 14.311 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.817 13.292 5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.282 11.786 4.441 1.00 0.00 H new ATOM 763 N ALA A 56 -6.358 12.160 3.427 1.00 0.00 N ATOM 764 CA ALA A 56 -4.937 11.847 3.485 1.00 0.00 C ATOM 765 C ALA A 56 -4.254 12.670 4.585 1.00 0.00 C ATOM 766 O ALA A 56 -4.539 13.856 4.729 1.00 0.00 O ATOM 767 CB ALA A 56 -4.305 12.137 2.121 1.00 0.00 C ATOM 0 H ALA A 56 -6.685 12.413 2.495 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.805 10.792 3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.241 11.905 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.785 11.522 1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.439 13.190 1.875 1.00 0.00 H new ATOM 773 N THR A 57 -3.372 12.036 5.364 1.00 0.00 N ATOM 774 CA THR A 57 -2.766 12.641 6.549 1.00 0.00 C ATOM 775 C THR A 57 -1.270 12.887 6.338 1.00 0.00 C ATOM 776 O THR A 57 -0.857 13.310 5.257 1.00 0.00 O ATOM 777 CB THR A 57 -3.080 11.802 7.797 1.00 0.00 C ATOM 778 OG1 THR A 57 -2.370 10.589 7.723 1.00 0.00 O ATOM 779 CG2 THR A 57 -4.571 11.496 7.940 1.00 0.00 C ATOM 0 H THR A 57 -3.058 11.082 5.187 1.00 0.00 H new ATOM 0 HA THR A 57 -3.207 13.624 6.716 1.00 0.00 H new ATOM 0 HB THR A 57 -2.779 12.384 8.668 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.646 10.593 8.384 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.736 10.901 8.838 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.128 12.430 8.016 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.913 10.939 7.068 1.00 0.00 H new ATOM 787 N ASP A 58 -0.448 12.574 7.341 1.00 0.00 N ATOM 788 CA ASP A 58 0.968 12.486 7.313 1.00 0.00 C ATOM 789 C ASP A 58 1.326 11.260 6.474 1.00 0.00 C ATOM 790 O ASP A 58 1.707 11.383 5.307 1.00 0.00 O ATOM 791 CB ASP A 58 1.427 12.340 8.778 1.00 0.00 C ATOM 792 CG ASP A 58 0.583 11.542 9.770 1.00 0.00 C ATOM 793 OD1 ASP A 58 -0.294 10.755 9.331 1.00 0.00 O ATOM 794 OD2 ASP A 58 0.820 11.653 10.990 1.00 0.00 O ATOM 0 H ASP A 58 -0.816 12.360 8.268 1.00 0.00 H new ATOM 0 HA ASP A 58 1.454 13.357 6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.420 11.890 8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.539 13.345 9.184 1.00 0.00 H new ATOM 799 N GLU A 59 1.146 10.066 7.037 1.00 0.00 N ATOM 800 CA GLU A 59 1.633 8.843 6.451 1.00 0.00 C ATOM 801 C GLU A 59 0.599 8.293 5.485 1.00 0.00 C ATOM 802 O GLU A 59 0.900 7.390 4.703 1.00 0.00 O ATOM 803 CB GLU A 59 1.812 7.818 7.561 1.00 0.00 C ATOM 804 CG GLU A 59 2.623 8.223 8.792 1.00 0.00 C ATOM 805 CD GLU A 59 2.401 7.164 9.861 1.00 0.00 C ATOM 806 OE1 GLU A 59 2.574 5.973 9.518 1.00 0.00 O ATOM 807 OE2 GLU A 59 1.953 7.559 10.960 1.00 0.00 O ATOM 0 H GLU A 59 0.653 9.932 7.920 1.00 0.00 H new ATOM 0 HA GLU A 59 2.571 9.038 5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.821 7.517 7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.283 6.936 7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.682 8.300 8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.308 9.202 9.152 1.00 0.00 H new ATOM 814 N TRP A 60 -0.648 8.766 5.600 1.00 0.00 N ATOM 815 CA TRP A 60 -1.761 8.034 5.049 1.00 0.00 C ATOM 816 C TRP A 60 -2.235 8.734 3.790 1.00 0.00 C ATOM 817 O TRP A 60 -2.299 9.968 3.766 1.00 0.00 O ATOM 818 CB TRP A 60 -2.822 7.869 6.122 1.00 0.00 C ATOM 819 CG TRP A 60 -2.359 7.090 7.315 1.00 0.00 C ATOM 820 CD1 TRP A 60 -1.658 7.576 8.363 1.00 0.00 C ATOM 821 CD2 TRP A 60 -2.516 5.665 7.580 1.00 0.00 C ATOM 822 NE1 TRP A 60 -1.381 6.564 9.248 1.00 0.00 N ATOM 823 CE2 TRP A 60 -1.936 5.378 8.847 1.00 0.00 C ATOM 824 CE3 TRP A 60 -3.101 4.586 6.891 1.00 0.00 C ATOM 825 CZ2 TRP A 60 -2.003 4.116 9.444 1.00 0.00 C ATOM 826 CZ3 TRP A 60 -3.124 3.298 7.455 1.00 0.00 C ATOM 827 CH2 TRP A 60 -2.659 3.083 8.765 1.00 0.00 C ATOM 0 H TRP A 60 -0.895 9.640 6.065 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.480 7.025 4.746 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -3.151 8.855 6.449 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.689 7.371 5.689 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -1.360 8.607 8.486 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.830 6.681 10.099 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.538 4.749 5.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.557 3.941 10.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.502 2.467 6.878 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.807 2.126 9.244 1.00 0.00 H new ATOM 838 N LYS A 61 -2.444 7.949 2.735 1.00 0.00 N ATOM 839 CA LYS A 61 -2.823 8.392 1.398 1.00 0.00 C ATOM 840 C LYS A 61 -3.930 7.484 0.865 1.00 0.00 C ATOM 841 O LYS A 61 -4.269 6.480 1.487 1.00 0.00 O ATOM 842 CB LYS A 61 -1.595 8.372 0.460 1.00 0.00 C ATOM 843 CG LYS A 61 -0.925 9.744 0.342 1.00 0.00 C ATOM 844 CD LYS A 61 0.026 10.083 1.492 1.00 0.00 C ATOM 845 CE LYS A 61 -0.151 11.538 1.958 1.00 0.00 C ATOM 846 NZ LYS A 61 -0.152 11.619 3.430 1.00 0.00 N ATOM 0 H LYS A 61 -2.348 6.935 2.794 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.194 9.416 1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.870 7.648 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.903 8.035 -0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.371 9.785 -0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.699 10.510 0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.156 9.407 2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.056 9.925 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.653 12.154 1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.086 11.939 1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.407 12.583 3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.845 10.945 3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.795 11.386 3.791 1.00 0.00 H new ATOM 860 N GLY A 62 -4.496 7.828 -0.291 1.00 0.00 N ATOM 861 CA GLY A 62 -5.435 6.967 -0.986 1.00 0.00 C ATOM 862 C GLY A 62 -4.676 6.049 -1.941 1.00 0.00 C ATOM 863 O GLY A 62 -3.625 6.425 -2.465 1.00 0.00 O ATOM 0 H GLY A 62 -4.313 8.712 -0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.001 6.374 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.155 7.569 -1.540 1.00 0.00 H new ATOM 867 N CYS A 63 -5.231 4.863 -2.187 1.00 0.00 N ATOM 868 CA CYS A 63 -4.802 3.946 -3.231 1.00 0.00 C ATOM 869 C CYS A 63 -5.974 3.843 -4.205 1.00 0.00 C ATOM 870 O CYS A 63 -7.124 3.715 -3.782 1.00 0.00 O ATOM 871 CB CYS A 63 -4.428 2.619 -2.624 1.00 0.00 C ATOM 872 SG CYS A 63 -4.232 1.387 -3.932 1.00 0.00 S ATOM 0 H CYS A 63 -6.018 4.506 -1.644 1.00 0.00 H new ATOM 0 HA CYS A 63 -3.913 4.293 -3.758 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.501 2.715 -2.059 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.198 2.299 -1.922 1.00 0.00 H new ATOM 877 N GLN A 64 -5.702 3.965 -5.505 1.00 0.00 N ATOM 878 CA GLN A 64 -6.732 4.032 -6.536 1.00 0.00 C ATOM 879 C GLN A 64 -7.620 2.787 -6.489 1.00 0.00 C ATOM 880 O GLN A 64 -8.825 2.869 -6.713 1.00 0.00 O ATOM 881 CB GLN A 64 -6.086 4.209 -7.916 1.00 0.00 C ATOM 882 CG GLN A 64 -5.345 5.551 -8.016 1.00 0.00 C ATOM 883 CD GLN A 64 -4.513 5.682 -9.287 1.00 0.00 C ATOM 884 OE1 GLN A 64 -4.738 4.979 -10.267 1.00 0.00 O ATOM 885 NE2 GLN A 64 -3.504 6.548 -9.267 1.00 0.00 N ATOM 0 H GLN A 64 -4.752 4.020 -5.872 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.368 4.897 -6.347 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.389 3.391 -8.102 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.853 4.156 -8.689 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.071 6.363 -7.979 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.694 5.665 -7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.339 7.120 -8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.895 6.640 -10.080 1.00 0.00 H new ATOM 894 N LEU A 65 -7.025 1.636 -6.165 1.00 0.00 N ATOM 895 CA LEU A 65 -7.729 0.366 -6.073 1.00 0.00 C ATOM 896 C LEU A 65 -8.335 0.139 -4.681 1.00 0.00 C ATOM 897 O LEU A 65 -8.751 -0.980 -4.390 1.00 0.00 O ATOM 898 CB LEU A 65 -6.763 -0.775 -6.436 1.00 0.00 C ATOM 899 CG LEU A 65 -6.063 -0.596 -7.794 1.00 0.00 C ATOM 900 CD1 LEU A 65 -5.111 -1.774 -8.030 1.00 0.00 C ATOM 901 CD2 LEU A 65 -7.066 -0.512 -8.951 1.00 0.00 C ATOM 0 H LEU A 65 -6.029 1.565 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.560 0.385 -6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.005 -0.857 -5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.315 -1.715 -6.445 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.511 0.343 -7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.612 -1.652 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.365 -1.804 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.678 -2.705 -8.031 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.528 -0.386 -9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.654 -1.429 -8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.730 0.339 -8.796 1.00 0.00 H new ATOM 913 N PHE A 66 -8.392 1.162 -3.814 1.00 0.00 N ATOM 914 CA PHE A 66 -8.775 0.998 -2.413 1.00 0.00 C ATOM 915 C PHE A 66 -9.775 2.087 -1.995 1.00 0.00 C ATOM 916 O PHE A 66 -9.412 3.023 -1.283 1.00 0.00 O ATOM 917 CB PHE A 66 -7.486 0.997 -1.569 1.00 0.00 C ATOM 918 CG PHE A 66 -7.371 -0.069 -0.501 1.00 0.00 C ATOM 919 CD1 PHE A 66 -8.466 -0.403 0.318 1.00 0.00 C ATOM 920 CD2 PHE A 66 -6.143 -0.734 -0.333 1.00 0.00 C ATOM 921 CE1 PHE A 66 -8.362 -1.476 1.219 1.00 0.00 C ATOM 922 CE2 PHE A 66 -6.040 -1.804 0.569 1.00 0.00 C ATOM 923 CZ PHE A 66 -7.167 -2.214 1.299 1.00 0.00 C ATOM 0 H PHE A 66 -8.173 2.125 -4.070 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.292 0.052 -2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.637 0.894 -2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.394 1.971 -1.088 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.383 0.164 0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.278 -0.421 -0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -9.199 -1.734 1.850 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.096 -2.311 0.701 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.117 -3.095 1.921 1.00 0.00 H new ATOM 933 N PRO A 67 -11.045 1.992 -2.421 1.00 0.00 N ATOM 934 CA PRO A 67 -12.058 2.985 -2.096 1.00 0.00 C ATOM 935 C PRO A 67 -12.276 3.122 -0.587 1.00 0.00 C ATOM 936 O PRO A 67 -12.155 2.151 0.162 1.00 0.00 O ATOM 937 CB PRO A 67 -13.347 2.510 -2.775 1.00 0.00 C ATOM 938 CG PRO A 67 -12.852 1.605 -3.901 1.00 0.00 C ATOM 939 CD PRO A 67 -11.601 0.972 -3.294 1.00 0.00 C ATOM 0 HA PRO A 67 -11.745 3.969 -2.444 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.990 1.969 -2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -13.928 3.348 -3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.594 0.855 -4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.623 2.170 -4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.847 0.068 -2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.889 0.685 -4.068 1.00 0.00 H new ATOM 947 N GLY A 68 -12.629 4.328 -0.138 1.00 0.00 N ATOM 948 CA GLY A 68 -13.141 4.599 1.199 1.00 0.00 C ATOM 949 C GLY A 68 -12.030 4.694 2.239 1.00 0.00 C ATOM 950 O GLY A 68 -12.045 5.580 3.091 1.00 0.00 O ATOM 0 H GLY A 68 -12.563 5.166 -0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.704 5.532 1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.837 3.810 1.485 1.00 0.00 H new ATOM 954 N LYS A 69 -11.086 3.755 2.189 1.00 0.00 N ATOM 955 CA LYS A 69 -10.004 3.660 3.153 1.00 0.00 C ATOM 956 C LYS A 69 -8.814 4.511 2.688 1.00 0.00 C ATOM 957 O LYS A 69 -8.801 5.018 1.568 1.00 0.00 O ATOM 958 CB LYS A 69 -9.570 2.195 3.333 1.00 0.00 C ATOM 959 CG LYS A 69 -10.712 1.171 3.243 1.00 0.00 C ATOM 960 CD LYS A 69 -10.474 -0.026 4.181 1.00 0.00 C ATOM 961 CE LYS A 69 -10.939 0.291 5.613 1.00 0.00 C ATOM 962 NZ LYS A 69 -10.226 -0.508 6.632 1.00 0.00 N ATOM 0 H LYS A 69 -11.056 3.034 1.468 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.357 4.036 4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.825 1.955 2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.083 2.091 4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.655 1.653 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.804 0.817 2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.010 -0.898 3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.414 -0.282 4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.785 1.351 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.010 0.103 5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.907 -0.864 7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.749 -1.310 6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.519 0.088 7.108 1.00 0.00 H new ATOM 976 N LEU A 70 -7.793 4.628 3.538 1.00 0.00 N ATOM 977 CA LEU A 70 -6.511 5.242 3.236 1.00 0.00 C ATOM 978 C LEU A 70 -5.424 4.214 3.533 1.00 0.00 C ATOM 979 O LEU A 70 -5.403 3.629 4.616 1.00 0.00 O ATOM 980 CB LEU A 70 -6.295 6.480 4.114 1.00 0.00 C ATOM 981 CG LEU A 70 -7.300 7.607 3.835 1.00 0.00 C ATOM 982 CD1 LEU A 70 -7.265 8.585 5.011 1.00 0.00 C ATOM 983 CD2 LEU A 70 -6.978 8.355 2.537 1.00 0.00 C ATOM 0 H LEU A 70 -7.845 4.281 4.496 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.480 5.552 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.367 6.190 5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.284 6.857 3.956 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.291 7.168 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.973 9.394 4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.536 8.062 5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.261 8.997 5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.714 9.143 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.984 8.796 2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.007 7.659 1.699 1.00 0.00 H new ATOM 995 N ILE A 71 -4.529 3.992 2.578 1.00 0.00 N ATOM 996 CA ILE A 71 -3.341 3.174 2.761 1.00 0.00 C ATOM 997 C ILE A 71 -2.281 3.995 3.485 1.00 0.00 C ATOM 998 O ILE A 71 -2.334 5.224 3.477 1.00 0.00 O ATOM 999 CB ILE A 71 -2.794 2.735 1.396 1.00 0.00 C ATOM 1000 CG1 ILE A 71 -2.673 3.940 0.445 1.00 0.00 C ATOM 1001 CG2 ILE A 71 -3.678 1.640 0.792 1.00 0.00 C ATOM 1002 CD1 ILE A 71 -1.497 3.778 -0.502 1.00 0.00 C ATOM 0 H ILE A 71 -4.612 4.383 1.640 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.596 2.290 3.346 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.795 2.322 1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.593 4.047 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.552 4.854 1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.276 1.340 -0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.697 0.779 1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.691 2.021 0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.438 4.645 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.575 3.696 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.633 2.877 -1.100 1.00 0.00 H new ATOM 1014 N ASN A 72 -1.287 3.327 4.068 1.00 0.00 N ATOM 1015 CA ASN A 72 -0.086 3.996 4.548 1.00 0.00 C ATOM 1016 C ASN A 72 0.982 3.941 3.452 1.00 0.00 C ATOM 1017 O ASN A 72 1.220 2.869 2.898 1.00 0.00 O ATOM 1018 CB ASN A 72 0.383 3.290 5.821 1.00 0.00 C ATOM 1019 CG ASN A 72 1.435 4.097 6.569 1.00 0.00 C ATOM 1020 OD1 ASN A 72 2.505 4.380 6.033 1.00 0.00 O ATOM 1021 ND2 ASN A 72 1.131 4.450 7.816 1.00 0.00 N ATOM 0 H ASN A 72 -1.293 2.318 4.218 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.282 5.043 4.781 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.472 3.116 6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.792 2.313 5.564 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.800 4.981 8.373 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.229 4.190 8.214 1.00 0.00 H new ATOM 1028 N VAL A 73 1.636 5.070 3.136 1.00 0.00 N ATOM 1029 CA VAL A 73 2.642 5.156 2.068 1.00 0.00 C ATOM 1030 C VAL A 73 3.704 4.065 2.164 1.00 0.00 C ATOM 1031 O VAL A 73 4.255 3.608 1.162 1.00 0.00 O ATOM 1032 CB VAL A 73 3.352 6.519 2.092 1.00 0.00 C ATOM 1033 CG1 VAL A 73 2.345 7.647 1.937 1.00 0.00 C ATOM 1034 CG2 VAL A 73 4.212 6.766 3.344 1.00 0.00 C ATOM 0 H VAL A 73 1.480 5.955 3.619 1.00 0.00 H new ATOM 0 HA VAL A 73 2.093 5.025 1.135 1.00 0.00 H new ATOM 0 HB VAL A 73 4.039 6.500 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.865 8.605 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.820 7.538 0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.626 7.608 2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.676 7.750 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.582 6.720 4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.988 6.003 3.409 1.00 0.00 H new ATOM 1044 N ASN A 74 4.020 3.712 3.407 1.00 0.00 N ATOM 1045 CA ASN A 74 5.046 2.738 3.743 1.00 0.00 C ATOM 1046 C ASN A 74 4.682 1.314 3.318 1.00 0.00 C ATOM 1047 O ASN A 74 5.552 0.453 3.411 1.00 0.00 O ATOM 1048 CB ASN A 74 5.297 2.758 5.256 1.00 0.00 C ATOM 1049 CG ASN A 74 5.968 4.037 5.726 1.00 0.00 C ATOM 1050 OD1 ASN A 74 7.139 4.282 5.452 1.00 0.00 O ATOM 1051 ND2 ASN A 74 5.221 4.853 6.452 1.00 0.00 N ATOM 0 H ASN A 74 3.557 4.107 4.226 1.00 0.00 H new ATOM 0 HA ASN A 74 5.943 3.023 3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.348 2.638 5.778 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.920 1.906 5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.615 5.724 6.807 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.252 4.611 6.656 1.00 0.00 H new ATOM 1058 N GLY A 75 3.437 1.046 2.903 1.00 0.00 N ATOM 1059 CA GLY A 75 2.943 -0.315 2.743 1.00 0.00 C ATOM 1060 C GLY A 75 3.447 -1.006 1.476 1.00 0.00 C ATOM 1061 O GLY A 75 4.617 -0.899 1.138 1.00 0.00 O ATOM 0 H GLY A 75 2.753 1.766 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.240 -0.904 3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.853 -0.297 2.728 1.00 0.00 H new ATOM 1065 N TRP A 76 2.565 -1.729 0.783 1.00 0.00 N ATOM 1066 CA TRP A 76 2.784 -2.472 -0.458 1.00 0.00 C ATOM 1067 C TRP A 76 1.409 -3.028 -0.830 1.00 0.00 C ATOM 1068 O TRP A 76 0.497 -2.888 -0.019 1.00 0.00 O ATOM 1069 CB TRP A 76 3.774 -3.630 -0.229 1.00 0.00 C ATOM 1070 CG TRP A 76 4.217 -4.388 -1.448 1.00 0.00 C ATOM 1071 CD1 TRP A 76 5.186 -3.984 -2.294 1.00 0.00 C ATOM 1072 CD2 TRP A 76 3.798 -5.700 -1.939 1.00 0.00 C ATOM 1073 NE1 TRP A 76 5.397 -4.935 -3.270 1.00 0.00 N ATOM 1074 CE2 TRP A 76 4.560 -6.016 -3.104 1.00 0.00 C ATOM 1075 CE3 TRP A 76 2.893 -6.682 -1.489 1.00 0.00 C ATOM 1076 CZ2 TRP A 76 4.426 -7.234 -3.784 1.00 0.00 C ATOM 1077 CZ3 TRP A 76 2.757 -7.914 -2.154 1.00 0.00 C ATOM 1078 CH2 TRP A 76 3.523 -8.192 -3.299 1.00 0.00 C ATOM 0 H TRP A 76 1.600 -1.817 1.102 1.00 0.00 H new ATOM 0 HA TRP A 76 3.206 -1.841 -1.241 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.660 -3.228 0.263 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.317 -4.337 0.464 1.00 0.00 H new ATOM 0 HD1 TRP A 76 5.721 -3.049 -2.218 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.085 -4.849 -4.019 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.291 -6.484 -0.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 5.010 -7.433 -4.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 2.060 -8.651 -1.783 1.00 0.00 H new ATOM 0 HH2 TRP A 76 3.417 -9.141 -3.804 1.00 0.00 H new ATOM 1089 N CYS A 77 1.261 -3.689 -1.980 1.00 0.00 N ATOM 1090 CA CYS A 77 0.268 -4.731 -2.218 1.00 0.00 C ATOM 1091 C CYS A 77 0.683 -5.511 -3.471 1.00 0.00 C ATOM 1092 O CYS A 77 1.609 -5.108 -4.178 1.00 0.00 O ATOM 1093 CB CYS A 77 -1.152 -4.217 -2.303 1.00 0.00 C ATOM 1094 SG CYS A 77 -1.478 -3.471 -3.911 1.00 0.00 S ATOM 0 H CYS A 77 1.848 -3.506 -2.794 1.00 0.00 H new ATOM 0 HA CYS A 77 0.253 -5.395 -1.353 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.849 -5.037 -2.131 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.324 -3.482 -1.516 1.00 0.00 H new ATOM 1099 N ALA A 78 0.010 -6.628 -3.752 1.00 0.00 N ATOM 1100 CA ALA A 78 0.294 -7.498 -4.889 1.00 0.00 C ATOM 1101 C ALA A 78 0.228 -6.750 -6.223 1.00 0.00 C ATOM 1102 O ALA A 78 0.882 -7.140 -7.188 1.00 0.00 O ATOM 1103 CB ALA A 78 -0.675 -8.682 -4.877 1.00 0.00 C ATOM 0 H ALA A 78 -0.767 -6.959 -3.179 1.00 0.00 H new ATOM 0 HA ALA A 78 1.316 -7.863 -4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.465 -9.333 -5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.553 -9.243 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.699 -8.315 -4.947 1.00 0.00 H new ATOM 1109 N SER A 79 -0.561 -5.677 -6.282 1.00 0.00 N ATOM 1110 CA SER A 79 -0.706 -4.836 -7.459 1.00 0.00 C ATOM 1111 C SER A 79 0.420 -3.804 -7.600 1.00 0.00 C ATOM 1112 O SER A 79 0.410 -3.071 -8.589 1.00 0.00 O ATOM 1113 CB SER A 79 -2.072 -4.138 -7.441 1.00 0.00 C ATOM 1114 OG SER A 79 -3.099 -5.077 -7.183 1.00 0.00 O ATOM 0 H SER A 79 -1.127 -5.366 -5.493 1.00 0.00 H new ATOM 0 HA SER A 79 -0.639 -5.490 -8.328 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.081 -3.360 -6.677 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.250 -3.647 -8.398 1.00 0.00 H new ATOM 0 HG SER A 79 -3.966 -4.619 -7.172 1.00 0.00 H new ATOM 1120 N TRP A 80 1.370 -3.718 -6.654 1.00 0.00 N ATOM 1121 CA TRP A 80 2.424 -2.703 -6.667 1.00 0.00 C ATOM 1122 C TRP A 80 3.027 -2.542 -8.063 1.00 0.00 C ATOM 1123 O TRP A 80 3.431 -3.524 -8.685 1.00 0.00 O ATOM 1124 CB TRP A 80 3.530 -3.016 -5.652 1.00 0.00 C ATOM 1125 CG TRP A 80 4.629 -1.995 -5.652 1.00 0.00 C ATOM 1126 CD1 TRP A 80 4.641 -0.867 -4.908 1.00 0.00 C ATOM 1127 CD2 TRP A 80 5.811 -1.918 -6.511 1.00 0.00 C ATOM 1128 NE1 TRP A 80 5.720 -0.088 -5.268 1.00 0.00 N ATOM 1129 CE2 TRP A 80 6.476 -0.684 -6.253 1.00 0.00 C ATOM 1130 CE3 TRP A 80 6.380 -2.756 -7.496 1.00 0.00 C ATOM 1131 CZ2 TRP A 80 7.641 -0.301 -6.936 1.00 0.00 C ATOM 1132 CZ3 TRP A 80 7.554 -2.388 -8.179 1.00 0.00 C ATOM 1133 CH2 TRP A 80 8.187 -1.164 -7.899 1.00 0.00 C ATOM 0 H TRP A 80 1.424 -4.354 -5.859 1.00 0.00 H new ATOM 0 HA TRP A 80 1.955 -1.762 -6.380 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.095 -3.074 -4.654 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.952 -3.996 -5.873 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.916 -0.614 -4.148 1.00 0.00 H new ATOM 0 HE1 TRP A 80 5.933 0.820 -4.855 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.905 -3.697 -7.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 8.112 0.647 -6.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.972 -3.050 -8.923 1.00 0.00 H new ATOM 0 HH2 TRP A 80 9.090 -0.889 -8.423 1.00 0.00 H new ATOM 1144 N THR A 81 3.052 -1.317 -8.575 1.00 0.00 N ATOM 1145 CA THR A 81 3.477 -1.007 -9.930 1.00 0.00 C ATOM 1146 C THR A 81 4.291 0.271 -9.820 1.00 0.00 C ATOM 1147 O THR A 81 3.777 1.237 -9.278 1.00 0.00 O ATOM 1148 CB THR A 81 2.213 -0.841 -10.787 1.00 0.00 C ATOM 1149 OG1 THR A 81 1.598 -2.111 -10.903 1.00 0.00 O ATOM 1150 CG2 THR A 81 2.488 -0.276 -12.184 1.00 0.00 C ATOM 0 H THR A 81 2.770 -0.493 -8.044 1.00 0.00 H new ATOM 0 HA THR A 81 4.086 -1.780 -10.399 1.00 0.00 H new ATOM 0 HB THR A 81 1.567 -0.117 -10.291 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.196 -2.359 -10.045 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.550 -0.186 -12.731 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.951 0.707 -12.094 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.159 -0.946 -12.722 1.00 0.00 H new ATOM 1158 N LEU A 82 5.549 0.274 -10.264 1.00 0.00 N ATOM 1159 CA LEU A 82 6.457 1.394 -10.058 1.00 0.00 C ATOM 1160 C LEU A 82 5.812 2.691 -10.569 1.00 0.00 C ATOM 1161 O LEU A 82 5.418 2.764 -11.733 1.00 0.00 O ATOM 1162 CB LEU A 82 7.772 1.081 -10.788 1.00 0.00 C ATOM 1163 CG LEU A 82 9.033 1.777 -10.240 1.00 0.00 C ATOM 1164 CD1 LEU A 82 10.129 1.693 -11.308 1.00 0.00 C ATOM 1165 CD2 LEU A 82 8.851 3.240 -9.832 1.00 0.00 C ATOM 0 H LEU A 82 5.964 -0.504 -10.777 1.00 0.00 H new ATOM 0 HA LEU A 82 6.666 1.537 -8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.934 0.004 -10.757 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.656 1.356 -11.836 1.00 0.00 H new ATOM 0 HG LEU A 82 9.293 1.251 -9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.032 2.180 -10.941 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.344 0.647 -11.527 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.791 2.192 -12.216 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.797 3.635 -9.461 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.530 3.821 -10.696 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.097 3.308 -9.048 1.00 0.00 H new ATOM 1177 N LYS A 83 5.675 3.697 -9.700 1.00 0.00 N ATOM 1178 CA LYS A 83 5.122 4.998 -10.039 1.00 0.00 C ATOM 1179 C LYS A 83 5.896 5.606 -11.215 1.00 0.00 C ATOM 1180 O LYS A 83 7.065 5.961 -11.080 1.00 0.00 O ATOM 1181 CB LYS A 83 5.151 5.920 -8.806 1.00 0.00 C ATOM 1182 CG LYS A 83 4.469 7.268 -9.090 1.00 0.00 C ATOM 1183 CD LYS A 83 4.603 8.288 -7.946 1.00 0.00 C ATOM 1184 CE LYS A 83 3.365 8.426 -7.044 1.00 0.00 C ATOM 1185 NZ LYS A 83 3.167 7.288 -6.124 1.00 0.00 N ATOM 0 H LYS A 83 5.954 3.621 -8.722 1.00 0.00 H new ATOM 0 HA LYS A 83 4.083 4.883 -10.346 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.652 5.428 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.184 6.091 -8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.896 7.696 -9.997 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.411 7.094 -9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.454 8.006 -7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.831 9.264 -8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.453 9.342 -6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.480 8.532 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.388 7.503 -5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.934 6.435 -6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.039 7.124 -5.582 1.00 0.00 H new ATOM 1199 N ALA A 84 5.214 5.756 -12.347 1.00 0.00 N ATOM 1200 CA ALA A 84 5.646 6.505 -13.512 1.00 0.00 C ATOM 1201 C ALA A 84 4.607 7.605 -13.716 1.00 0.00 C ATOM 1202 O ALA A 84 3.717 7.482 -14.557 1.00 0.00 O ATOM 1203 CB ALA A 84 5.748 5.564 -14.717 1.00 0.00 C ATOM 0 H ALA A 84 4.295 5.333 -12.478 1.00 0.00 H new ATOM 0 HA ALA A 84 6.633 6.949 -13.385 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.073 6.127 -15.592 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.471 4.777 -14.504 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.773 5.118 -14.914 1.00 0.00 H new ATOM 1209 N GLY A 85 4.686 8.638 -12.878 1.00 0.00 N ATOM 1210 CA GLY A 85 3.675 9.651 -12.676 1.00 0.00 C ATOM 1211 C GLY A 85 3.958 10.214 -11.286 1.00 0.00 C ATOM 1212 O GLY A 85 5.109 10.005 -10.835 1.00 0.00 O ATOM 1213 OXT GLY A 85 3.032 10.795 -10.683 1.00 0.00 O ATOM 0 H GLY A 85 5.508 8.790 -12.293 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.737 10.428 -13.438 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.673 9.226 -12.734 1.00 0.00 H new TER 1217 GLY A 85 HETATM 1218 FE1 SF4 A 86 -0.193 0.444 -2.426 1.00 0.00 FE HETATM 1219 FE2 SF4 A 86 -0.062 0.475 -4.899 1.00 0.00 FE HETATM 1220 FE3 SF4 A 86 -2.307 0.662 -3.798 1.00 0.00 FE HETATM 1221 FE4 SF4 A 86 -1.087 -1.487 -3.756 1.00 0.00 FE HETATM 1222 S1 SF4 A 86 -1.835 -0.538 -5.538 1.00 0.00 S HETATM 1223 S2 SF4 A 86 -2.063 -0.590 -2.054 1.00 0.00 S HETATM 1224 S3 SF4 A 86 1.001 -0.912 -3.624 1.00 0.00 S HETATM 1225 S4 SF4 A 86 -0.717 2.138 -3.676 1.00 0.00 S