USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 654 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 94 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.28) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.21) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 11 GLN : amide:sc=-0.000665 X(o=-0.00066,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.591 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -123:sc= -4.97! (180deg=-9.33!) USER MOD Single : A 25 GLN : amide:sc= -0.375 K(o=-0.38,f=-2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.3) USER MOD Single : A 49 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.4) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0558 X(o=-0.056,f=0) USER MOD Single : A 61 SER OG : rot 170:sc= -0.963 USER MOD Single : A 62 SER OG : rot -149:sc= -0.907! USER MOD Single : A 63 THR OG1 : rot 80:sc= -0.584 USER MOD Single : A 65 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 70 ASN : amide:sc= -2.08 K(o=-2.1,f=-1) USER MOD Single : A 77 TYR OH : rot -50:sc= -0.0392 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 69:sc= 0.974 USER MOD Single : A 88 GLN : amide:sc= -0.738 K(o=-0.74,f=-0.034) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0017 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 3 -16.519 3.333 3.944 1.00 0.00 N ATOM 44 CA LEU A 3 -15.240 3.205 3.240 1.00 0.00 C ATOM 45 C LEU A 3 -14.097 3.897 3.995 1.00 0.00 C ATOM 46 O LEU A 3 -13.877 5.100 3.829 1.00 0.00 O ATOM 47 CB LEU A 3 -15.370 3.781 1.817 1.00 0.00 C ATOM 48 CG LEU A 3 -14.729 2.942 0.713 1.00 0.00 C ATOM 49 CD1 LEU A 3 -15.552 1.689 0.453 1.00 0.00 C ATOM 50 CD2 LEU A 3 -14.591 3.764 -0.559 1.00 0.00 C ATOM 0 HA LEU A 3 -14.993 2.145 3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -16.428 3.905 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.922 4.775 1.802 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.734 2.638 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.082 1.102 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.606 1.094 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.558 1.972 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.133 3.155 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.577 4.093 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.964 4.634 -0.364 1.00 0.00 H new ATOM 62 N GLN A 4 -13.366 3.129 4.814 1.00 0.00 N ATOM 63 CA GLN A 4 -12.235 3.660 5.585 1.00 0.00 C ATOM 64 C GLN A 4 -10.931 2.967 5.183 1.00 0.00 C ATOM 65 O GLN A 4 -10.926 1.773 4.875 1.00 0.00 O ATOM 66 CB GLN A 4 -12.481 3.471 7.081 1.00 0.00 C ATOM 67 CG GLN A 4 -11.604 4.343 7.966 1.00 0.00 C ATOM 68 CD GLN A 4 -11.834 5.828 7.742 1.00 0.00 C ATOM 69 OE1 GLN A 4 -10.897 6.573 7.454 1.00 0.00 O ATOM 70 NE2 GLN A 4 -13.084 6.269 7.871 1.00 0.00 N ATOM 0 H GLN A 4 -13.539 2.134 4.960 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.145 4.724 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.527 3.688 7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.312 2.425 7.337 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.799 4.103 9.011 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.557 4.109 7.775 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.832 5.618 8.111 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.293 7.257 7.730 1.00 0.00 H new ATOM 79 N VAL A 5 -9.825 3.725 5.189 1.00 0.00 N ATOM 80 CA VAL A 5 -8.509 3.186 4.822 1.00 0.00 C ATOM 81 C VAL A 5 -7.403 3.850 5.651 1.00 0.00 C ATOM 82 O VAL A 5 -7.479 5.045 5.946 1.00 0.00 O ATOM 83 CB VAL A 5 -8.191 3.396 3.313 1.00 0.00 C ATOM 84 CG1 VAL A 5 -7.001 2.547 2.895 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.394 3.081 2.427 1.00 0.00 C ATOM 0 H VAL A 5 -9.816 4.713 5.444 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.543 2.116 5.027 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.946 4.450 3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.794 2.707 1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.128 2.830 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.227 1.494 3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.128 3.241 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.690 2.042 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.224 3.735 2.694 1.00 0.00 H new ATOM 95 N ASP A 6 -6.373 3.071 6.017 1.00 0.00 N ATOM 96 CA ASP A 6 -5.250 3.592 6.803 1.00 0.00 C ATOM 97 C ASP A 6 -4.036 2.677 6.660 1.00 0.00 C ATOM 98 O ASP A 6 -4.163 1.469 6.796 1.00 0.00 O ATOM 99 CB ASP A 6 -5.641 3.715 8.279 1.00 0.00 C ATOM 100 CG ASP A 6 -6.396 4.995 8.574 1.00 0.00 C ATOM 101 OD1 ASP A 6 -5.923 6.074 8.154 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.457 4.921 9.227 1.00 0.00 O ATOM 0 H ASP A 6 -6.297 2.082 5.781 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.994 4.582 6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.256 2.861 8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.742 3.677 8.894 1.00 0.00 H new ATOM 107 N ILE A 7 -2.865 3.255 6.379 1.00 0.00 N ATOM 108 CA ILE A 7 -1.634 2.467 6.212 1.00 0.00 C ATOM 109 C ILE A 7 -0.738 2.593 7.445 1.00 0.00 C ATOM 110 O ILE A 7 -0.566 3.686 7.990 1.00 0.00 O ATOM 111 CB ILE A 7 -0.853 2.896 4.940 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.793 2.924 3.727 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.319 1.953 4.669 1.00 0.00 C ATOM 114 CD1 ILE A 7 -1.173 3.532 2.487 1.00 0.00 C ATOM 0 H ILE A 7 -2.740 4.261 6.262 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.928 1.424 6.095 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.455 3.896 5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.110 1.906 3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.690 3.487 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.848 2.278 3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.002 1.968 5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.056 0.940 4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.898 3.516 1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.881 4.562 2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.293 2.956 2.200 1.00 0.00 H new ATOM 126 N VAL A 8 -0.171 1.459 7.881 1.00 0.00 N ATOM 127 CA VAL A 8 0.705 1.422 9.052 1.00 0.00 C ATOM 128 C VAL A 8 2.083 0.847 8.664 1.00 0.00 C ATOM 129 O VAL A 8 2.143 -0.206 8.023 1.00 0.00 O ATOM 130 CB VAL A 8 0.101 0.557 10.188 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.925 0.676 11.466 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.350 0.941 10.462 1.00 0.00 C ATOM 0 H VAL A 8 -0.307 0.552 7.434 1.00 0.00 H new ATOM 0 HA VAL A 8 0.813 2.445 9.413 1.00 0.00 H new ATOM 0 HB VAL A 8 0.126 -0.481 9.855 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.478 0.059 12.246 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.944 0.338 11.275 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.943 1.716 11.792 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.746 0.317 11.263 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.399 1.989 10.759 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.943 0.792 9.559 1.00 0.00 H new ATOM 142 N PRO A 9 3.217 1.507 9.038 1.00 0.00 N ATOM 143 CA PRO A 9 3.248 2.770 9.805 1.00 0.00 C ATOM 144 C PRO A 9 2.957 3.984 8.924 1.00 0.00 C ATOM 145 O PRO A 9 2.926 3.870 7.698 1.00 0.00 O ATOM 146 CB PRO A 9 4.684 2.816 10.322 1.00 0.00 C ATOM 147 CG PRO A 9 5.472 2.131 9.263 1.00 0.00 C ATOM 148 CD PRO A 9 4.583 1.043 8.720 1.00 0.00 C ATOM 0 HA PRO A 9 2.492 2.801 10.590 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.022 3.842 10.470 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.779 2.308 11.281 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.758 2.829 8.477 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.393 1.715 9.670 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.721 0.913 7.647 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.797 0.082 9.187 1.00 0.00 H new ATOM 156 N SER A 10 2.763 5.150 9.557 1.00 0.00 N ATOM 157 CA SER A 10 2.497 6.394 8.824 1.00 0.00 C ATOM 158 C SER A 10 3.740 6.808 8.038 1.00 0.00 C ATOM 159 O SER A 10 3.659 7.168 6.861 1.00 0.00 O ATOM 160 CB SER A 10 2.090 7.509 9.792 1.00 0.00 C ATOM 161 OG SER A 10 2.876 7.474 10.969 1.00 0.00 O ATOM 0 H SER A 10 2.785 5.257 10.571 1.00 0.00 H new ATOM 0 HA SER A 10 1.675 6.223 8.129 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.203 8.477 9.304 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.037 7.403 10.051 1.00 0.00 H new ATOM 0 HG SER A 10 2.598 8.197 11.570 1.00 0.00 H new ATOM 167 N GLN A 11 4.898 6.712 8.701 1.00 0.00 N ATOM 168 CA GLN A 11 6.185 7.030 8.092 1.00 0.00 C ATOM 169 C GLN A 11 7.156 5.889 8.381 1.00 0.00 C ATOM 170 O GLN A 11 7.613 5.734 9.518 1.00 0.00 O ATOM 171 CB GLN A 11 6.733 8.353 8.634 1.00 0.00 C ATOM 172 CG GLN A 11 6.833 8.405 10.150 1.00 0.00 C ATOM 173 CD GLN A 11 6.973 9.822 10.677 1.00 0.00 C ATOM 174 OE1 GLN A 11 8.026 10.202 11.189 1.00 0.00 O ATOM 175 NE2 GLN A 11 5.910 10.617 10.555 1.00 0.00 N ATOM 0 H GLN A 11 4.964 6.412 9.673 1.00 0.00 H new ATOM 0 HA GLN A 11 6.059 7.144 7.015 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.721 8.527 8.209 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.092 9.167 8.294 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.946 7.945 10.585 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.690 7.814 10.475 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.056 10.264 10.124 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.951 11.579 10.892 1.00 0.00 H new ATOM 184 N GLY A 12 7.435 5.069 7.360 1.00 0.00 N ATOM 185 CA GLY A 12 8.315 3.917 7.535 1.00 0.00 C ATOM 186 C GLY A 12 9.716 4.114 6.994 1.00 0.00 C ATOM 187 O GLY A 12 9.957 3.901 5.804 1.00 0.00 O ATOM 0 H GLY A 12 7.067 5.183 6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.378 3.681 8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.866 3.054 7.043 1.00 0.00 H new ATOM 191 N GLU A 13 10.651 4.475 7.878 1.00 0.00 N ATOM 192 CA GLU A 13 12.047 4.650 7.492 1.00 0.00 C ATOM 193 C GLU A 13 12.741 3.287 7.512 1.00 0.00 C ATOM 194 O GLU A 13 12.593 2.531 8.475 1.00 0.00 O ATOM 195 CB GLU A 13 12.747 5.625 8.438 1.00 0.00 C ATOM 196 CG GLU A 13 12.470 7.085 8.119 1.00 0.00 C ATOM 197 CD GLU A 13 12.614 7.986 9.330 1.00 0.00 C ATOM 198 OE1 GLU A 13 12.054 7.646 10.394 1.00 0.00 O ATOM 199 OE2 GLU A 13 13.286 9.033 9.215 1.00 0.00 O ATOM 0 H GLU A 13 10.463 4.651 8.865 1.00 0.00 H new ATOM 0 HA GLU A 13 12.098 5.068 6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.429 5.418 9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.822 5.450 8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.155 7.419 7.340 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.461 7.180 7.718 1.00 0.00 H new ATOM 206 N ILE A 14 13.464 2.963 6.435 1.00 0.00 N ATOM 207 CA ILE A 14 14.143 1.669 6.314 1.00 0.00 C ATOM 208 C ILE A 14 15.516 1.836 5.638 1.00 0.00 C ATOM 209 O ILE A 14 15.798 2.878 5.050 1.00 0.00 O ATOM 210 CB ILE A 14 13.209 0.681 5.525 1.00 0.00 C ATOM 211 CG1 ILE A 14 11.971 0.337 6.389 1.00 0.00 C ATOM 212 CG2 ILE A 14 13.915 -0.607 5.081 1.00 0.00 C ATOM 213 CD1 ILE A 14 10.727 1.129 6.034 1.00 0.00 C ATOM 0 H ILE A 14 13.594 3.580 5.633 1.00 0.00 H new ATOM 0 HA ILE A 14 14.333 1.252 7.303 1.00 0.00 H new ATOM 0 HB ILE A 14 12.907 1.194 4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.753 -0.726 6.285 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.213 0.512 7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.210 -1.241 4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.751 -0.357 4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.286 -1.139 5.957 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.906 0.828 6.685 1.00 0.00 H new ATOM 0 HD12 ILE A 14 10.923 2.193 6.166 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.456 0.936 4.996 1.00 0.00 H new ATOM 225 N SER A 15 16.368 0.807 5.740 1.00 0.00 N ATOM 226 CA SER A 15 17.706 0.838 5.139 1.00 0.00 C ATOM 227 C SER A 15 17.777 -0.085 3.919 1.00 0.00 C ATOM 228 O SER A 15 17.051 -1.089 3.831 1.00 0.00 O ATOM 229 CB SER A 15 18.785 0.437 6.162 1.00 0.00 C ATOM 230 OG SER A 15 18.230 -0.257 7.266 1.00 0.00 O ATOM 0 H SER A 15 16.153 -0.059 6.235 1.00 0.00 H new ATOM 0 HA SER A 15 17.897 1.862 4.818 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.532 -0.191 5.676 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.301 1.330 6.516 1.00 0.00 H new ATOM 0 HG SER A 15 18.943 -0.497 7.894 1.00 0.00 H new ATOM 236 N VAL A 16 18.688 0.241 2.992 1.00 0.00 N ATOM 237 CA VAL A 16 18.884 -0.567 1.788 1.00 0.00 C ATOM 238 C VAL A 16 19.440 -1.930 2.180 1.00 0.00 C ATOM 239 O VAL A 16 20.335 -2.023 3.027 1.00 0.00 O ATOM 240 CB VAL A 16 19.832 0.110 0.763 1.00 0.00 C ATOM 241 CG1 VAL A 16 19.850 -0.660 -0.555 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.425 1.558 0.519 1.00 0.00 C ATOM 0 H VAL A 16 19.297 1.056 3.055 1.00 0.00 H new ATOM 0 HA VAL A 16 17.913 -0.675 1.304 1.00 0.00 H new ATOM 0 HB VAL A 16 20.837 0.099 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.522 -0.165 -1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.197 -1.678 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.844 -0.688 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.105 2.010 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.408 1.589 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.471 2.112 1.457 1.00 0.00 H new ATOM 252 N GLY A 17 18.873 -2.982 1.590 1.00 0.00 N ATOM 253 CA GLY A 17 19.282 -4.335 1.916 1.00 0.00 C ATOM 254 C GLY A 17 18.299 -5.024 2.852 1.00 0.00 C ATOM 255 O GLY A 17 18.330 -6.251 2.976 1.00 0.00 O ATOM 0 H GLY A 17 18.135 -2.918 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 17 19.375 -4.916 0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.268 -4.313 2.380 1.00 0.00 H new ATOM 259 N GLU A 18 17.403 -4.246 3.507 1.00 0.00 N ATOM 260 CA GLU A 18 16.405 -4.826 4.412 1.00 0.00 C ATOM 261 C GLU A 18 14.997 -4.581 3.868 1.00 0.00 C ATOM 262 O GLU A 18 14.765 -3.600 3.157 1.00 0.00 O ATOM 263 CB GLU A 18 16.587 -4.293 5.840 1.00 0.00 C ATOM 264 CG GLU A 18 16.325 -2.810 6.004 1.00 0.00 C ATOM 265 CD GLU A 18 15.874 -2.454 7.413 1.00 0.00 C ATOM 266 OE1 GLU A 18 14.661 -2.549 7.691 1.00 0.00 O ATOM 267 OE2 GLU A 18 16.737 -2.089 8.238 1.00 0.00 O ATOM 0 H GLU A 18 17.358 -3.231 3.422 1.00 0.00 H new ATOM 0 HA GLU A 18 16.551 -5.905 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.919 -4.841 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.606 -4.506 6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.232 -2.255 5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.562 -2.497 5.291 1.00 0.00 H new ATOM 274 N SER A 19 14.075 -5.509 4.158 1.00 0.00 N ATOM 275 CA SER A 19 12.705 -5.423 3.642 1.00 0.00 C ATOM 276 C SER A 19 11.843 -4.421 4.411 1.00 0.00 C ATOM 277 O SER A 19 12.293 -3.818 5.387 1.00 0.00 O ATOM 278 CB SER A 19 12.054 -6.806 3.631 1.00 0.00 C ATOM 279 OG SER A 19 12.013 -7.364 4.933 1.00 0.00 O ATOM 0 H SER A 19 14.253 -6.324 4.745 1.00 0.00 H new ATOM 0 HA SER A 19 12.772 -5.051 2.620 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.042 -6.731 3.233 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.610 -7.467 2.967 1.00 0.00 H new ATOM 0 HG SER A 19 11.590 -8.247 4.897 1.00 0.00 H new ATOM 285 N LYS A 20 10.613 -4.215 3.919 1.00 0.00 N ATOM 286 CA LYS A 20 9.687 -3.244 4.505 1.00 0.00 C ATOM 287 C LYS A 20 8.263 -3.467 3.992 1.00 0.00 C ATOM 288 O LYS A 20 8.018 -3.333 2.791 1.00 0.00 O ATOM 289 CB LYS A 20 10.134 -1.823 4.117 1.00 0.00 C ATOM 290 CG LYS A 20 10.352 -1.652 2.616 1.00 0.00 C ATOM 291 CD LYS A 20 11.356 -0.554 2.281 1.00 0.00 C ATOM 292 CE LYS A 20 10.665 0.762 1.962 1.00 0.00 C ATOM 293 NZ LYS A 20 10.230 0.879 0.524 1.00 0.00 N ATOM 0 H LYS A 20 10.238 -4.713 3.112 1.00 0.00 H new ATOM 0 HA LYS A 20 9.696 -3.369 5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.383 -1.108 4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.059 -1.584 4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.700 -2.595 2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.399 -1.423 2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.036 -0.414 3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.962 -0.863 1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.793 0.871 2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.341 1.584 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.658 1.726 0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.537 0.036 -0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.194 0.956 0.480 1.00 0.00 H new ATOM 307 N PHE A 21 7.320 -3.780 4.896 1.00 0.00 N ATOM 308 CA PHE A 21 5.916 -3.986 4.503 1.00 0.00 C ATOM 309 C PHE A 21 5.003 -2.967 5.173 1.00 0.00 C ATOM 310 O PHE A 21 5.268 -2.525 6.292 1.00 0.00 O ATOM 311 CB PHE A 21 5.438 -5.414 4.792 1.00 0.00 C ATOM 312 CG PHE A 21 5.451 -5.816 6.236 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.397 -5.492 7.078 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.518 -6.531 6.742 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.413 -5.876 8.404 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.542 -6.919 8.068 1.00 0.00 C ATOM 317 CZ PHE A 21 5.489 -6.589 8.901 1.00 0.00 C ATOM 0 H PHE A 21 7.501 -3.895 5.893 1.00 0.00 H new ATOM 0 HA PHE A 21 5.865 -3.838 3.424 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.423 -5.523 4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.065 -6.109 4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.556 -4.934 6.693 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.343 -6.790 6.095 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.587 -5.620 9.052 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.382 -7.479 8.453 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.507 -6.888 9.939 1.00 0.00 H new ATOM 327 N PHE A 22 3.932 -2.582 4.464 1.00 0.00 N ATOM 328 CA PHE A 22 2.974 -1.589 4.973 1.00 0.00 C ATOM 329 C PHE A 22 1.555 -2.158 4.986 1.00 0.00 C ATOM 330 O PHE A 22 0.979 -2.449 3.942 1.00 0.00 O ATOM 331 CB PHE A 22 3.071 -0.317 4.134 1.00 0.00 C ATOM 332 CG PHE A 22 4.455 0.264 4.179 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.452 -0.220 3.347 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.771 1.257 5.091 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.740 0.276 3.424 1.00 0.00 C ATOM 336 CE2 PHE A 22 6.054 1.764 5.165 1.00 0.00 C ATOM 337 CZ PHE A 22 7.041 1.269 4.332 1.00 0.00 C ATOM 0 H PHE A 22 3.707 -2.943 3.537 1.00 0.00 H new ATOM 0 HA PHE A 22 3.222 -1.340 6.005 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.801 -0.539 3.101 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.354 0.418 4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.220 -0.994 2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.007 1.639 5.751 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.509 -0.114 2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.286 2.546 5.873 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.046 1.660 4.393 1.00 0.00 H new ATOM 347 N LEU A 23 1.017 -2.347 6.193 1.00 0.00 N ATOM 348 CA LEU A 23 -0.313 -2.935 6.372 1.00 0.00 C ATOM 349 C LEU A 23 -1.455 -1.946 6.132 1.00 0.00 C ATOM 350 O LEU A 23 -1.651 -1.016 6.911 1.00 0.00 O ATOM 351 CB LEU A 23 -0.420 -3.515 7.784 1.00 0.00 C ATOM 352 CG LEU A 23 -1.537 -4.530 7.984 1.00 0.00 C ATOM 353 CD1 LEU A 23 -1.359 -5.715 7.043 1.00 0.00 C ATOM 354 CD2 LEU A 23 -1.570 -4.998 9.429 1.00 0.00 C ATOM 0 H LEU A 23 1.485 -2.100 7.065 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.420 -3.717 5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.529 -3.988 8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.566 -2.695 8.487 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.487 -4.049 7.752 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.167 -6.430 7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.380 -5.366 6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.403 -6.198 7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.373 -5.723 9.558 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.617 -5.463 9.683 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.743 -4.144 10.084 1.00 0.00 H new ATOM 366 N CYS A 24 -2.233 -2.178 5.063 1.00 0.00 N ATOM 367 CA CYS A 24 -3.376 -1.322 4.736 1.00 0.00 C ATOM 368 C CYS A 24 -4.666 -1.904 5.305 1.00 0.00 C ATOM 369 O CYS A 24 -5.253 -2.820 4.723 1.00 0.00 O ATOM 370 CB CYS A 24 -3.517 -1.142 3.223 1.00 0.00 C ATOM 371 SG CYS A 24 -4.632 0.215 2.734 1.00 0.00 S ATOM 0 H CYS A 24 -2.089 -2.951 4.413 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.195 -0.347 5.187 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.531 -0.959 2.797 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.884 -2.073 2.790 1.00 0.00 H new ATOM 376 N GLN A 25 -5.103 -1.354 6.437 1.00 0.00 N ATOM 377 CA GLN A 25 -6.327 -1.793 7.095 1.00 0.00 C ATOM 378 C GLN A 25 -7.492 -0.948 6.609 1.00 0.00 C ATOM 379 O GLN A 25 -7.286 0.141 6.064 1.00 0.00 O ATOM 380 CB GLN A 25 -6.188 -1.680 8.615 1.00 0.00 C ATOM 381 CG GLN A 25 -5.061 -2.536 9.191 1.00 0.00 C ATOM 382 CD GLN A 25 -4.301 -1.855 10.324 1.00 0.00 C ATOM 383 OE1 GLN A 25 -4.331 -0.632 10.462 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.608 -2.647 11.140 1.00 0.00 N ATOM 0 H GLN A 25 -4.620 -0.596 6.919 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.511 -2.838 6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.012 -0.637 8.879 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.129 -1.972 9.080 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.478 -3.475 9.556 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.361 -2.787 8.394 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.608 -3.656 10.993 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.077 -2.244 11.912 1.00 0.00 H new ATOM 393 N VAL A 26 -8.714 -1.453 6.786 1.00 0.00 N ATOM 394 CA VAL A 26 -9.905 -0.740 6.336 1.00 0.00 C ATOM 395 C VAL A 26 -11.054 -0.848 7.341 1.00 0.00 C ATOM 396 O VAL A 26 -11.033 -1.694 8.236 1.00 0.00 O ATOM 397 CB VAL A 26 -10.363 -1.275 4.958 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.276 -1.050 3.909 1.00 0.00 C ATOM 399 CG2 VAL A 26 -10.728 -2.759 5.037 1.00 0.00 C ATOM 0 H VAL A 26 -8.902 -2.349 7.236 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.637 0.313 6.249 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.255 -0.722 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.615 -1.432 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.068 0.017 3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.368 -1.574 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.046 -3.108 4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.859 -3.331 5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.540 -2.897 5.751 1.00 0.00 H new ATOM 409 N ALA A 27 -12.062 0.005 7.157 1.00 0.00 N ATOM 410 CA ALA A 27 -13.244 0.012 8.008 1.00 0.00 C ATOM 411 C ALA A 27 -14.461 0.406 7.175 1.00 0.00 C ATOM 412 O ALA A 27 -14.627 1.578 6.821 1.00 0.00 O ATOM 413 CB ALA A 27 -13.054 0.942 9.208 1.00 0.00 C ATOM 0 H ALA A 27 -12.079 0.706 6.416 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.405 -0.988 8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.952 0.927 9.826 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.202 0.605 9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.872 1.958 8.856 1.00 0.00 H new ATOM 504 N ASP A 34 -12.548 -2.802 -3.467 1.00 0.00 N ATOM 505 CA ASP A 34 -11.385 -3.304 -4.201 1.00 0.00 C ATOM 506 C ASP A 34 -10.123 -2.518 -3.841 1.00 0.00 C ATOM 507 O ASP A 34 -10.007 -1.345 -4.195 1.00 0.00 O ATOM 508 CB ASP A 34 -11.655 -3.205 -5.713 1.00 0.00 C ATOM 509 CG ASP A 34 -12.196 -4.495 -6.304 1.00 0.00 C ATOM 510 OD1 ASP A 34 -12.883 -5.245 -5.578 1.00 0.00 O ATOM 511 OD2 ASP A 34 -11.932 -4.756 -7.497 1.00 0.00 O ATOM 0 HA ASP A 34 -11.221 -4.345 -3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.367 -2.400 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.731 -2.937 -6.225 1.00 0.00 H new ATOM 516 N ILE A 35 -9.184 -3.178 -3.149 1.00 0.00 N ATOM 517 CA ILE A 35 -7.923 -2.548 -2.739 1.00 0.00 C ATOM 518 C ILE A 35 -6.993 -2.305 -3.940 1.00 0.00 C ATOM 519 O ILE A 35 -7.088 -2.985 -4.964 1.00 0.00 O ATOM 520 CB ILE A 35 -7.172 -3.410 -1.675 1.00 0.00 C ATOM 521 CG1 ILE A 35 -8.094 -3.749 -0.487 1.00 0.00 C ATOM 522 CG2 ILE A 35 -5.906 -2.705 -1.177 1.00 0.00 C ATOM 523 CD1 ILE A 35 -8.795 -5.086 -0.609 1.00 0.00 C ATOM 0 H ILE A 35 -9.276 -4.152 -2.861 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.187 -1.587 -2.297 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.875 -4.339 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.504 -3.743 0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.845 -2.965 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.407 -3.332 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.233 -2.529 -2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.175 -1.752 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.424 -5.248 0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.414 -5.092 -1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.053 -5.881 -0.675 1.00 0.00 H new ATOM 535 N SER A 36 -6.084 -1.335 -3.781 1.00 0.00 N ATOM 536 CA SER A 36 -5.107 -0.986 -4.811 1.00 0.00 C ATOM 537 C SER A 36 -3.856 -0.393 -4.157 1.00 0.00 C ATOM 538 O SER A 36 -3.917 0.066 -3.014 1.00 0.00 O ATOM 539 CB SER A 36 -5.709 0.011 -5.802 1.00 0.00 C ATOM 540 OG SER A 36 -6.776 -0.572 -6.530 1.00 0.00 O ATOM 0 H SER A 36 -6.008 -0.772 -2.934 1.00 0.00 H new ATOM 0 HA SER A 36 -4.831 -1.889 -5.356 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.068 0.889 -5.266 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.938 0.352 -6.492 1.00 0.00 H new ATOM 0 HG SER A 36 -7.144 0.087 -7.155 1.00 0.00 H new ATOM 546 N TRP A 37 -2.728 -0.399 -4.881 1.00 0.00 N ATOM 547 CA TRP A 37 -1.463 0.143 -4.363 1.00 0.00 C ATOM 548 C TRP A 37 -0.748 0.962 -5.436 1.00 0.00 C ATOM 549 O TRP A 37 -0.393 0.433 -6.495 1.00 0.00 O ATOM 550 CB TRP A 37 -0.547 -0.984 -3.867 1.00 0.00 C ATOM 551 CG TRP A 37 -0.809 -1.375 -2.445 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.546 -2.440 -2.014 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.337 -0.708 -1.264 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.563 -2.479 -0.642 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.830 -1.427 -0.159 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.453 0.426 -1.033 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.557 -1.052 1.155 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.720 0.799 0.273 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.217 0.061 1.352 1.00 0.00 C ATOM 0 H TRP A 37 -2.665 -0.773 -5.828 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.698 0.795 -3.522 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.677 -1.857 -4.507 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.492 -0.669 -3.965 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.044 -3.149 -2.659 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.043 -3.177 -0.074 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.847 0.999 -1.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.942 -1.619 1.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.326 1.673 0.463 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.444 0.376 2.360 1.00 0.00 H new ATOM 570 N PHE A 38 -0.545 2.259 -5.159 1.00 0.00 N ATOM 571 CA PHE A 38 0.114 3.159 -6.112 1.00 0.00 C ATOM 572 C PHE A 38 1.477 3.634 -5.616 1.00 0.00 C ATOM 573 O PHE A 38 1.574 4.381 -4.643 1.00 0.00 O ATOM 574 CB PHE A 38 -0.798 4.344 -6.420 1.00 0.00 C ATOM 575 CG PHE A 38 -2.092 3.912 -7.047 1.00 0.00 C ATOM 576 CD1 PHE A 38 -2.176 3.699 -8.412 1.00 0.00 C ATOM 577 CD2 PHE A 38 -3.213 3.696 -6.267 1.00 0.00 C ATOM 578 CE1 PHE A 38 -3.359 3.279 -8.990 1.00 0.00 C ATOM 579 CE2 PHE A 38 -4.400 3.274 -6.838 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.473 3.064 -8.201 1.00 0.00 C ATOM 0 H PHE A 38 -0.827 2.705 -4.286 1.00 0.00 H new ATOM 0 HA PHE A 38 0.296 2.597 -7.028 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.006 4.890 -5.500 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.283 5.033 -7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.307 3.863 -9.032 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.161 3.859 -5.201 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.413 3.119 -10.057 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.269 3.109 -6.218 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.398 2.733 -8.649 1.00 0.00 H new ATOM 590 N SER A 39 2.529 3.193 -6.315 1.00 0.00 N ATOM 591 CA SER A 39 3.903 3.554 -5.981 1.00 0.00 C ATOM 592 C SER A 39 4.127 5.065 -6.128 1.00 0.00 C ATOM 593 O SER A 39 3.454 5.701 -6.960 1.00 0.00 O ATOM 594 CB SER A 39 4.894 2.790 -6.864 1.00 0.00 C ATOM 595 OG SER A 39 4.687 3.083 -8.234 1.00 0.00 O ATOM 0 H SER A 39 2.448 2.578 -7.125 1.00 0.00 H new ATOM 0 HA SER A 39 4.074 3.279 -4.940 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.914 3.053 -6.583 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.783 1.719 -6.697 1.00 0.00 H new ATOM 0 HG SER A 39 5.333 2.584 -8.776 1.00 0.00 H new ATOM 601 N PRO A 40 5.078 5.645 -5.313 1.00 0.00 N ATOM 602 CA PRO A 40 5.425 7.087 -5.289 1.00 0.00 C ATOM 603 C PRO A 40 5.527 7.774 -6.654 1.00 0.00 C ATOM 604 O PRO A 40 5.389 8.999 -6.729 1.00 0.00 O ATOM 605 CB PRO A 40 6.791 7.124 -4.557 1.00 0.00 C ATOM 606 CG PRO A 40 7.181 5.699 -4.353 1.00 0.00 C ATOM 607 CD PRO A 40 5.901 4.932 -4.313 1.00 0.00 C ATOM 0 HA PRO A 40 4.626 7.646 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.538 7.653 -5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.710 7.648 -3.604 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.822 5.349 -5.162 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.741 5.575 -3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.046 3.884 -4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.446 4.951 -3.323 1.00 0.00 H new ATOM 651 N LYS A 44 0.291 2.531 -10.241 1.00 0.00 N ATOM 652 CA LYS A 44 0.034 1.248 -9.576 1.00 0.00 C ATOM 653 C LYS A 44 1.147 0.232 -9.842 1.00 0.00 C ATOM 654 O LYS A 44 1.616 0.094 -10.974 1.00 0.00 O ATOM 655 CB LYS A 44 -1.329 0.684 -10.015 1.00 0.00 C ATOM 656 CG LYS A 44 -2.148 0.105 -8.868 1.00 0.00 C ATOM 657 CD LYS A 44 -3.614 -0.050 -9.251 1.00 0.00 C ATOM 658 CE LYS A 44 -3.804 -1.129 -10.301 1.00 0.00 C ATOM 659 NZ LYS A 44 -5.116 -1.006 -10.997 1.00 0.00 N ATOM 0 HA LYS A 44 0.014 1.432 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.903 1.476 -10.496 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.168 -0.092 -10.763 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.741 -0.865 -8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.065 0.754 -7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.198 -0.297 -8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.994 0.899 -9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.998 -1.069 -11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.734 -2.110 -9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.205 -1.762 -11.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.886 -1.089 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.173 -0.081 -11.469 1.00 0.00 H new ATOM 673 N LEU A 45 1.564 -0.473 -8.782 1.00 0.00 N ATOM 674 CA LEU A 45 2.623 -1.481 -8.886 1.00 0.00 C ATOM 675 C LEU A 45 2.037 -2.892 -8.880 1.00 0.00 C ATOM 676 O LEU A 45 1.081 -3.169 -8.153 1.00 0.00 O ATOM 677 CB LEU A 45 3.630 -1.315 -7.741 1.00 0.00 C ATOM 678 CG LEU A 45 3.062 -1.510 -6.321 1.00 0.00 C ATOM 679 CD1 LEU A 45 3.204 -2.960 -5.874 1.00 0.00 C ATOM 680 CD2 LEU A 45 3.749 -0.580 -5.326 1.00 0.00 C ATOM 0 H LEU A 45 1.183 -0.362 -7.842 1.00 0.00 H new ATOM 0 HA LEU A 45 3.142 -1.334 -9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.442 -2.027 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.065 -0.318 -7.805 1.00 0.00 H new ATOM 0 HG LEU A 45 2.002 -1.260 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.796 -3.073 -4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.660 -3.608 -6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.258 -3.238 -5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.330 -0.737 -4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.818 -0.793 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.590 0.456 -5.627 1.00 0.00 H new ATOM 692 N SER A 46 2.615 -3.776 -9.701 1.00 0.00 N ATOM 693 CA SER A 46 2.150 -5.159 -9.800 1.00 0.00 C ATOM 694 C SER A 46 2.601 -5.973 -8.583 1.00 0.00 C ATOM 695 O SER A 46 3.562 -5.595 -7.909 1.00 0.00 O ATOM 696 CB SER A 46 2.670 -5.810 -11.084 1.00 0.00 C ATOM 697 OG SER A 46 2.675 -4.887 -12.158 1.00 0.00 O ATOM 0 H SER A 46 3.406 -3.555 -10.306 1.00 0.00 H new ATOM 0 HA SER A 46 1.060 -5.146 -9.827 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.679 -6.188 -10.921 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.046 -6.667 -11.340 1.00 0.00 H new ATOM 0 HG SER A 46 3.013 -5.327 -12.966 1.00 0.00 H new ATOM 703 N PRO A 47 1.911 -7.105 -8.271 1.00 0.00 N ATOM 704 CA PRO A 47 2.255 -7.947 -7.125 1.00 0.00 C ATOM 705 C PRO A 47 3.266 -9.056 -7.452 1.00 0.00 C ATOM 706 O PRO A 47 3.369 -10.033 -6.706 1.00 0.00 O ATOM 707 CB PRO A 47 0.901 -8.551 -6.763 1.00 0.00 C ATOM 708 CG PRO A 47 0.217 -8.735 -8.076 1.00 0.00 C ATOM 709 CD PRO A 47 0.737 -7.650 -8.993 1.00 0.00 C ATOM 0 HA PRO A 47 2.740 -7.380 -6.331 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.016 -9.499 -6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.333 -7.891 -6.108 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.427 -9.722 -8.487 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.865 -8.661 -7.963 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.018 -8.051 -9.967 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.016 -6.881 -9.169 1.00 0.00 H new ATOM 717 N ASN A 48 4.008 -8.903 -8.556 1.00 0.00 N ATOM 718 CA ASN A 48 5.001 -9.898 -8.961 1.00 0.00 C ATOM 719 C ASN A 48 6.088 -9.265 -9.842 1.00 0.00 C ATOM 720 O ASN A 48 6.616 -9.910 -10.756 1.00 0.00 O ATOM 721 CB ASN A 48 4.313 -11.052 -9.704 1.00 0.00 C ATOM 722 CG ASN A 48 3.499 -11.943 -8.780 1.00 0.00 C ATOM 723 OD1 ASN A 48 3.972 -12.343 -7.715 1.00 0.00 O ATOM 724 ND2 ASN A 48 2.269 -12.263 -9.181 1.00 0.00 N ATOM 0 H ASN A 48 3.938 -8.100 -9.182 1.00 0.00 H new ATOM 0 HA ASN A 48 5.482 -10.289 -8.065 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.661 -10.644 -10.476 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.068 -11.654 -10.210 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.682 -12.860 -8.599 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.915 -11.911 -10.070 1.00 0.00 H new ATOM 731 N GLN A 49 6.425 -7.999 -9.559 1.00 0.00 N ATOM 732 CA GLN A 49 7.449 -7.287 -10.324 1.00 0.00 C ATOM 733 C GLN A 49 8.834 -7.875 -10.051 1.00 0.00 C ATOM 734 O GLN A 49 9.416 -8.524 -10.924 1.00 0.00 O ATOM 735 CB GLN A 49 7.430 -5.787 -10.002 1.00 0.00 C ATOM 736 CG GLN A 49 6.058 -5.148 -10.142 1.00 0.00 C ATOM 737 CD GLN A 49 6.030 -3.707 -9.662 1.00 0.00 C ATOM 738 OE1 GLN A 49 5.615 -2.810 -10.395 1.00 0.00 O ATOM 739 NE2 GLN A 49 6.470 -3.473 -8.426 1.00 0.00 N ATOM 0 H GLN A 49 6.003 -7.452 -8.808 1.00 0.00 H new ATOM 0 HA GLN A 49 7.224 -7.411 -11.383 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.787 -5.639 -8.983 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.129 -5.274 -10.663 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.750 -5.185 -11.187 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.331 -5.730 -9.575 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.806 -4.245 -7.850 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.471 -2.522 -8.056 1.00 0.00 H new ATOM 748 N GLN A 50 9.355 -7.653 -8.837 1.00 0.00 N ATOM 749 CA GLN A 50 10.670 -8.172 -8.451 1.00 0.00 C ATOM 750 C GLN A 50 10.755 -8.330 -6.931 1.00 0.00 C ATOM 751 O GLN A 50 10.626 -9.440 -6.409 1.00 0.00 O ATOM 752 CB GLN A 50 11.846 -7.296 -8.989 1.00 0.00 C ATOM 753 CG GLN A 50 11.527 -6.435 -10.209 1.00 0.00 C ATOM 754 CD GLN A 50 12.555 -5.342 -10.440 1.00 0.00 C ATOM 755 OE1 GLN A 50 13.595 -5.576 -11.055 1.00 0.00 O ATOM 756 NE2 GLN A 50 12.269 -4.135 -9.950 1.00 0.00 N ATOM 0 H GLN A 50 8.885 -7.118 -8.107 1.00 0.00 H new ATOM 0 HA GLN A 50 10.777 -9.152 -8.916 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.185 -6.643 -8.185 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.679 -7.953 -9.239 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.474 -7.070 -11.093 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.544 -5.982 -10.082 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.395 -3.983 -9.446 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.924 -3.364 -10.079 1.00 0.00 H new ATOM 765 N ARG A 51 10.972 -7.219 -6.232 1.00 0.00 N ATOM 766 CA ARG A 51 11.079 -7.211 -4.774 1.00 0.00 C ATOM 767 C ARG A 51 9.779 -6.756 -4.114 1.00 0.00 C ATOM 768 O ARG A 51 9.424 -7.244 -3.038 1.00 0.00 O ATOM 769 CB ARG A 51 12.239 -6.309 -4.354 1.00 0.00 C ATOM 770 CG ARG A 51 13.607 -6.846 -4.788 1.00 0.00 C ATOM 771 CD ARG A 51 14.442 -5.795 -5.513 1.00 0.00 C ATOM 772 NE ARG A 51 15.561 -6.395 -6.253 1.00 0.00 N ATOM 773 CZ ARG A 51 16.524 -5.700 -6.879 1.00 0.00 C ATOM 774 NH1 ARG A 51 16.529 -4.365 -6.878 1.00 0.00 N ATOM 775 NH2 ARG A 51 17.489 -6.351 -7.514 1.00 0.00 N ATOM 0 H ARG A 51 11.079 -6.299 -6.659 1.00 0.00 H new ATOM 0 HA ARG A 51 11.270 -8.230 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.093 -5.317 -4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.228 -6.194 -3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.151 -7.197 -3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.466 -7.707 -5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.807 -5.240 -6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.829 -5.077 -4.790 1.00 0.00 H new ATOM 0 HE ARG A 51 15.609 -7.413 -6.294 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.791 -3.853 -6.395 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.271 -3.857 -7.360 1.00 0.00 H new ATOM 0 HH21 ARG A 51 17.495 -7.371 -7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.225 -5.832 -7.993 1.00 0.00 H new ATOM 789 N ILE A 52 9.079 -5.814 -4.759 1.00 0.00 N ATOM 790 CA ILE A 52 7.821 -5.293 -4.225 1.00 0.00 C ATOM 791 C ILE A 52 6.673 -6.278 -4.482 1.00 0.00 C ATOM 792 O ILE A 52 6.094 -6.300 -5.570 1.00 0.00 O ATOM 793 CB ILE A 52 7.477 -3.893 -4.814 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.665 -2.930 -4.588 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.187 -3.346 -4.189 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.402 -1.467 -4.933 1.00 0.00 C ATOM 0 H ILE A 52 9.363 -5.401 -5.647 1.00 0.00 H new ATOM 0 HA ILE A 52 7.950 -5.176 -3.149 1.00 0.00 H new ATOM 0 HB ILE A 52 7.306 -3.986 -5.887 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.964 -2.990 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.510 -3.279 -5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.964 -2.367 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.363 -4.029 -4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.316 -3.253 -3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.299 -0.880 -4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.136 -1.384 -5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.582 -1.091 -4.321 1.00 0.00 H new ATOM 808 N SER A 53 6.353 -7.084 -3.462 1.00 0.00 N ATOM 809 CA SER A 53 5.277 -8.072 -3.550 1.00 0.00 C ATOM 810 C SER A 53 4.077 -7.646 -2.700 1.00 0.00 C ATOM 811 O SER A 53 4.207 -7.442 -1.494 1.00 0.00 O ATOM 812 CB SER A 53 5.787 -9.438 -3.083 1.00 0.00 C ATOM 813 OG SER A 53 4.900 -10.473 -3.466 1.00 0.00 O ATOM 0 H SER A 53 6.830 -7.068 -2.560 1.00 0.00 H new ATOM 0 HA SER A 53 4.956 -8.141 -4.589 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.774 -9.625 -3.507 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.901 -9.436 -1.999 1.00 0.00 H new ATOM 0 HG SER A 53 5.250 -11.335 -3.157 1.00 0.00 H new ATOM 819 N VAL A 54 2.909 -7.521 -3.341 1.00 0.00 N ATOM 820 CA VAL A 54 1.673 -7.126 -2.652 1.00 0.00 C ATOM 821 C VAL A 54 0.883 -8.374 -2.248 1.00 0.00 C ATOM 822 O VAL A 54 1.094 -9.451 -2.812 1.00 0.00 O ATOM 823 CB VAL A 54 0.779 -6.223 -3.551 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.403 -5.661 -2.768 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.586 -5.085 -4.168 1.00 0.00 C ATOM 0 H VAL A 54 2.793 -7.688 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 54 1.955 -6.556 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 54 0.394 -6.849 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.009 -5.035 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.011 -6.482 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.036 -5.064 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.934 -4.472 -4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.014 -4.471 -3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.388 -5.498 -4.780 1.00 0.00 H new ATOM 835 N VAL A 55 -0.027 -8.227 -1.275 1.00 0.00 N ATOM 836 CA VAL A 55 -0.839 -9.352 -0.813 1.00 0.00 C ATOM 837 C VAL A 55 -2.165 -8.880 -0.205 1.00 0.00 C ATOM 838 O VAL A 55 -2.203 -7.942 0.586 1.00 0.00 O ATOM 839 CB VAL A 55 -0.060 -10.225 0.211 1.00 0.00 C ATOM 840 CG1 VAL A 55 0.417 -9.389 1.395 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.887 -11.425 0.689 1.00 0.00 C ATOM 0 H VAL A 55 -0.216 -7.345 -0.798 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.065 -9.962 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 55 0.816 -10.618 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.959 -10.025 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.076 -8.597 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.443 -8.946 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.304 -12.007 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.799 -11.070 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.146 -12.051 -0.165 1.00 0.00 H new ATOM 851 N TRP A 56 -3.246 -9.572 -0.564 1.00 0.00 N ATOM 852 CA TRP A 56 -4.576 -9.273 -0.044 1.00 0.00 C ATOM 853 C TRP A 56 -4.985 -10.405 0.886 1.00 0.00 C ATOM 854 O TRP A 56 -5.175 -11.539 0.441 1.00 0.00 O ATOM 855 CB TRP A 56 -5.556 -9.102 -1.198 1.00 0.00 C ATOM 856 CG TRP A 56 -5.164 -7.972 -2.097 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.665 -6.706 -2.080 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.167 -7.998 -3.127 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.058 -5.946 -3.046 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.136 -6.715 -3.704 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.304 -8.982 -3.623 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.276 -6.390 -4.751 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.450 -8.655 -4.660 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.443 -7.370 -5.215 1.00 0.00 C ATOM 0 H TRP A 56 -3.223 -10.352 -1.221 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.575 -8.338 0.517 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.603 -10.026 -1.775 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.556 -8.922 -0.802 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.429 -6.352 -1.404 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.261 -4.966 -3.243 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.305 -9.977 -3.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.268 -5.399 -5.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.776 -9.404 -5.049 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.766 -7.148 -6.026 1.00 0.00 H new ATOM 875 N ASN A 57 -5.051 -10.109 2.190 1.00 0.00 N ATOM 876 CA ASN A 57 -5.360 -11.129 3.198 1.00 0.00 C ATOM 877 C ASN A 57 -6.818 -11.088 3.666 1.00 0.00 C ATOM 878 O ASN A 57 -7.616 -11.940 3.270 1.00 0.00 O ATOM 879 CB ASN A 57 -4.396 -10.980 4.380 1.00 0.00 C ATOM 880 CG ASN A 57 -2.946 -11.145 3.965 1.00 0.00 C ATOM 881 OD1 ASN A 57 -2.443 -12.265 3.870 1.00 0.00 O ATOM 882 ND2 ASN A 57 -2.259 -10.030 3.714 1.00 0.00 N ATOM 0 H ASN A 57 -4.895 -9.175 2.570 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.226 -12.106 2.733 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.532 -9.999 4.835 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.640 -11.721 5.141 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.280 -10.087 3.432 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.712 -9.121 3.804 1.00 0.00 H new ATOM 889 N ASP A 58 -7.164 -10.112 4.518 1.00 0.00 N ATOM 890 CA ASP A 58 -8.531 -9.990 5.042 1.00 0.00 C ATOM 891 C ASP A 58 -9.529 -9.712 3.912 1.00 0.00 C ATOM 892 O ASP A 58 -9.156 -9.714 2.737 1.00 0.00 O ATOM 893 CB ASP A 58 -8.595 -8.888 6.115 1.00 0.00 C ATOM 894 CG ASP A 58 -9.533 -9.234 7.257 1.00 0.00 C ATOM 895 OD1 ASP A 58 -9.167 -10.094 8.086 1.00 0.00 O ATOM 896 OD2 ASP A 58 -10.632 -8.644 7.323 1.00 0.00 O ATOM 0 H ASP A 58 -6.519 -9.399 4.857 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.808 -10.938 5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.595 -8.715 6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.920 -7.956 5.653 1.00 0.00 H new ATOM 901 N ASP A 59 -10.802 -9.484 4.272 1.00 0.00 N ATOM 902 CA ASP A 59 -11.860 -9.215 3.287 1.00 0.00 C ATOM 903 C ASP A 59 -11.518 -8.005 2.411 1.00 0.00 C ATOM 904 O ASP A 59 -11.822 -7.992 1.215 1.00 0.00 O ATOM 905 CB ASP A 59 -13.200 -8.980 3.994 1.00 0.00 C ATOM 906 CG ASP A 59 -13.880 -10.277 4.391 1.00 0.00 C ATOM 907 OD1 ASP A 59 -14.196 -11.081 3.489 1.00 0.00 O ATOM 908 OD2 ASP A 59 -14.094 -10.488 5.604 1.00 0.00 O ATOM 0 H ASP A 59 -11.123 -9.481 5.240 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.939 -10.090 2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.037 -8.372 4.884 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.860 -8.413 3.337 1.00 0.00 H new ATOM 913 N ASP A 60 -10.883 -6.997 3.018 1.00 0.00 N ATOM 914 CA ASP A 60 -10.495 -5.783 2.295 1.00 0.00 C ATOM 915 C ASP A 60 -9.168 -5.183 2.805 1.00 0.00 C ATOM 916 O ASP A 60 -8.851 -4.034 2.491 1.00 0.00 O ATOM 917 CB ASP A 60 -11.622 -4.753 2.386 1.00 0.00 C ATOM 918 CG ASP A 60 -12.867 -5.197 1.646 1.00 0.00 C ATOM 919 OD1 ASP A 60 -12.758 -5.544 0.452 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.954 -5.199 2.262 1.00 0.00 O ATOM 0 H ASP A 60 -10.628 -6.998 4.006 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.328 -6.059 1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.868 -4.578 3.433 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.278 -3.803 1.976 1.00 0.00 H new ATOM 925 N SER A 61 -8.380 -5.970 3.563 1.00 0.00 N ATOM 926 CA SER A 61 -7.080 -5.523 4.075 1.00 0.00 C ATOM 927 C SER A 61 -5.965 -6.138 3.225 1.00 0.00 C ATOM 928 O SER A 61 -6.066 -7.302 2.809 1.00 0.00 O ATOM 929 CB SER A 61 -6.923 -5.891 5.565 1.00 0.00 C ATOM 930 OG SER A 61 -6.219 -7.112 5.755 1.00 0.00 O ATOM 0 H SER A 61 -8.627 -6.922 3.833 1.00 0.00 H new ATOM 0 HA SER A 61 -7.015 -4.437 4.004 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.396 -5.088 6.080 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.909 -5.970 6.022 1.00 0.00 H new ATOM 0 HG SER A 61 -6.004 -7.221 6.705 1.00 0.00 H new ATOM 936 N SER A 62 -4.913 -5.359 2.952 1.00 0.00 N ATOM 937 CA SER A 62 -3.805 -5.831 2.126 1.00 0.00 C ATOM 938 C SER A 62 -2.462 -5.441 2.741 1.00 0.00 C ATOM 939 O SER A 62 -2.413 -5.015 3.896 1.00 0.00 O ATOM 940 CB SER A 62 -3.972 -5.254 0.712 1.00 0.00 C ATOM 941 OG SER A 62 -5.336 -5.270 0.324 1.00 0.00 O ATOM 0 H SER A 62 -4.809 -4.403 3.291 1.00 0.00 H new ATOM 0 HA SER A 62 -3.818 -6.920 2.071 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.592 -4.233 0.683 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.380 -5.835 0.004 1.00 0.00 H new ATOM 0 HG SER A 62 -5.399 -5.392 -0.646 1.00 0.00 H new ATOM 947 N THR A 63 -1.380 -5.602 1.974 1.00 0.00 N ATOM 948 CA THR A 63 -0.044 -5.274 2.450 1.00 0.00 C ATOM 949 C THR A 63 0.901 -5.025 1.280 1.00 0.00 C ATOM 950 O THR A 63 0.845 -5.719 0.262 1.00 0.00 O ATOM 951 CB THR A 63 0.509 -6.395 3.331 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.477 -6.859 4.234 1.00 0.00 O ATOM 953 CG2 THR A 63 1.716 -5.972 4.140 1.00 0.00 C ATOM 0 H THR A 63 -1.409 -5.959 1.019 1.00 0.00 H new ATOM 0 HA THR A 63 -0.117 -4.363 3.044 1.00 0.00 H new ATOM 0 HB THR A 63 0.810 -7.185 2.643 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.082 -7.475 3.770 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.061 -6.811 4.744 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.513 -5.657 3.467 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.444 -5.143 4.793 1.00 0.00 H new ATOM 961 N LEU A 64 1.770 -4.031 1.444 1.00 0.00 N ATOM 962 CA LEU A 64 2.745 -3.660 0.435 1.00 0.00 C ATOM 963 C LEU A 64 4.137 -4.050 0.911 1.00 0.00 C ATOM 964 O LEU A 64 4.807 -3.266 1.588 1.00 0.00 O ATOM 965 CB LEU A 64 2.675 -2.141 0.197 1.00 0.00 C ATOM 966 CG LEU A 64 3.249 -1.559 -1.127 1.00 0.00 C ATOM 967 CD1 LEU A 64 4.201 -0.396 -0.837 1.00 0.00 C ATOM 968 CD2 LEU A 64 3.934 -2.611 -2.009 1.00 0.00 C ATOM 0 H LEU A 64 1.814 -3.460 2.288 1.00 0.00 H new ATOM 0 HA LEU A 64 2.529 -4.180 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.628 -1.846 0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.193 -1.654 1.023 1.00 0.00 H new ATOM 0 HG LEU A 64 2.394 -1.193 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.592 -0.003 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.663 0.392 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.027 -0.748 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.311 -2.137 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.763 -3.060 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.215 -3.385 -2.277 1.00 0.00 H new ATOM 980 N THR A 65 4.560 -5.264 0.559 1.00 0.00 N ATOM 981 CA THR A 65 5.874 -5.765 0.955 1.00 0.00 C ATOM 982 C THR A 65 6.923 -5.329 -0.066 1.00 0.00 C ATOM 983 O THR A 65 6.650 -5.287 -1.264 1.00 0.00 O ATOM 984 CB THR A 65 5.868 -7.310 1.118 1.00 0.00 C ATOM 985 OG1 THR A 65 4.555 -7.837 1.010 1.00 0.00 O ATOM 986 CG2 THR A 65 6.423 -7.781 2.450 1.00 0.00 C ATOM 0 H THR A 65 4.011 -5.918 0.001 1.00 0.00 H new ATOM 0 HA THR A 65 6.126 -5.339 1.926 1.00 0.00 H new ATOM 0 HB THR A 65 6.510 -7.671 0.314 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.362 -8.046 0.072 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.388 -8.870 2.494 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.455 -7.447 2.553 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.825 -7.366 3.261 1.00 0.00 H new ATOM 994 N ILE A 66 8.117 -5.003 0.424 1.00 0.00 N ATOM 995 CA ILE A 66 9.226 -4.572 -0.423 1.00 0.00 C ATOM 996 C ILE A 66 10.515 -5.176 0.124 1.00 0.00 C ATOM 997 O ILE A 66 11.115 -4.628 1.047 1.00 0.00 O ATOM 998 CB ILE A 66 9.343 -3.023 -0.469 1.00 0.00 C ATOM 999 CG1 ILE A 66 8.002 -2.396 -0.885 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.482 -2.562 -1.395 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.973 -0.885 -0.772 1.00 0.00 C ATOM 0 H ILE A 66 8.343 -5.030 1.418 1.00 0.00 H new ATOM 0 HA ILE A 66 9.045 -4.914 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 66 9.590 -2.678 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.783 -2.678 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.209 -2.813 -0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.530 -1.473 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.429 -2.965 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.296 -2.921 -2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.996 -0.516 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.159 -0.594 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.743 -0.457 -1.414 1.00 0.00 H new ATOM 1013 N TYR A 67 10.911 -6.327 -0.432 1.00 0.00 N ATOM 1014 CA TYR A 67 12.115 -7.042 0.015 1.00 0.00 C ATOM 1015 C TYR A 67 13.384 -6.169 -0.166 1.00 0.00 C ATOM 1016 O TYR A 67 13.513 -5.168 0.531 1.00 0.00 O ATOM 1017 CB TYR A 67 12.193 -8.423 -0.688 1.00 0.00 C ATOM 1018 CG TYR A 67 10.878 -9.196 -0.687 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.068 -9.245 0.446 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.442 -9.861 -1.828 1.00 0.00 C ATOM 1021 CE1 TYR A 67 8.870 -9.934 0.439 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.247 -10.553 -1.839 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.465 -10.587 -0.704 1.00 0.00 C ATOM 1024 OH TYR A 67 7.273 -11.273 -0.713 1.00 0.00 O ATOM 0 H TYR A 67 10.414 -6.786 -1.195 1.00 0.00 H new ATOM 0 HA TYR A 67 12.054 -7.237 1.086 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.515 -8.277 -1.719 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.957 -9.026 -0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.382 -8.736 1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.049 -9.836 -2.721 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.254 -9.960 1.326 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.926 -11.066 -2.734 1.00 0.00 H new ATOM 0 HH TYR A 67 7.134 -11.676 -1.595 1.00 0.00 H new ATOM 1034 N ASN A 68 14.316 -6.511 -1.081 1.00 0.00 N ATOM 1035 CA ASN A 68 15.531 -5.697 -1.288 1.00 0.00 C ATOM 1036 C ASN A 68 15.161 -4.228 -1.569 1.00 0.00 C ATOM 1037 O ASN A 68 14.848 -3.863 -2.704 1.00 0.00 O ATOM 1038 CB ASN A 68 16.384 -6.264 -2.433 1.00 0.00 C ATOM 1039 CG ASN A 68 17.875 -6.089 -2.190 1.00 0.00 C ATOM 1040 OD1 ASN A 68 18.630 -7.061 -2.200 1.00 0.00 O ATOM 1041 ND2 ASN A 68 18.314 -4.848 -1.973 1.00 0.00 N ATOM 0 H ASN A 68 14.252 -7.334 -1.680 1.00 0.00 H new ATOM 0 HA ASN A 68 16.121 -5.736 -0.372 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.161 -7.324 -2.557 1.00 0.00 H new ATOM 0 HB3 ASN A 68 16.110 -5.769 -3.365 1.00 0.00 H new ATOM 0 HD21 ASN A 68 19.306 -4.680 -1.808 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.657 -4.068 -1.972 1.00 0.00 H new ATOM 1048 N ALA A 69 15.167 -3.417 -0.507 1.00 0.00 N ATOM 1049 CA ALA A 69 14.799 -2.006 -0.597 1.00 0.00 C ATOM 1050 C ALA A 69 15.914 -1.153 -1.185 1.00 0.00 C ATOM 1051 O ALA A 69 17.092 -1.496 -1.076 1.00 0.00 O ATOM 1052 CB ALA A 69 14.412 -1.486 0.779 1.00 0.00 C ATOM 0 H ALA A 69 15.426 -3.720 0.432 1.00 0.00 H new ATOM 0 HA ALA A 69 13.947 -1.932 -1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.138 -0.433 0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.564 -2.056 1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.256 -1.595 1.460 1.00 0.00 H new ATOM 1058 N ASN A 70 15.527 -0.035 -1.813 1.00 0.00 N ATOM 1059 CA ASN A 70 16.487 0.879 -2.425 1.00 0.00 C ATOM 1060 C ASN A 70 15.971 2.320 -2.403 1.00 0.00 C ATOM 1061 O ASN A 70 14.765 2.575 -2.252 1.00 0.00 O ATOM 1062 CB ASN A 70 16.779 0.461 -3.870 1.00 0.00 C ATOM 1063 CG ASN A 70 17.193 -0.997 -3.995 1.00 0.00 C ATOM 1064 OD1 ASN A 70 18.382 -1.309 -4.061 1.00 0.00 O ATOM 1065 ND2 ASN A 70 16.213 -1.899 -4.028 1.00 0.00 N ATOM 0 H ASN A 70 14.554 0.254 -1.908 1.00 0.00 H new ATOM 0 HA ASN A 70 17.407 0.830 -1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.892 0.634 -4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.570 1.093 -4.272 1.00 0.00 H new ATOM 0 HD21 ASN A 70 16.435 -2.891 -4.111 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.240 -1.598 -3.970 1.00 0.00 H new ATOM 1072 N ILE A 71 16.894 3.274 -2.572 1.00 0.00 N ATOM 1073 CA ILE A 71 16.541 4.699 -2.590 1.00 0.00 C ATOM 1074 C ILE A 71 15.467 5.019 -3.646 1.00 0.00 C ATOM 1075 O ILE A 71 14.739 6.006 -3.512 1.00 0.00 O ATOM 1076 CB ILE A 71 17.778 5.595 -2.828 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.552 5.144 -4.074 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.680 5.578 -1.603 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.666 6.090 -4.473 1.00 0.00 C ATOM 0 H ILE A 71 17.889 3.086 -2.698 1.00 0.00 H new ATOM 0 HA ILE A 71 16.132 4.917 -1.604 1.00 0.00 H new ATOM 0 HB ILE A 71 17.435 6.616 -2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.974 4.156 -3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.856 5.044 -4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.548 6.212 -1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.129 5.952 -0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 71 19.010 4.558 -1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 71 20.168 5.707 -5.361 1.00 0.00 H new ATOM 0 HD12 ILE A 71 19.248 7.073 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.384 6.172 -3.657 1.00 0.00 H new ATOM 1091 N ASP A 72 15.359 4.167 -4.680 1.00 0.00 N ATOM 1092 CA ASP A 72 14.359 4.352 -5.730 1.00 0.00 C ATOM 1093 C ASP A 72 12.962 4.048 -5.191 1.00 0.00 C ATOM 1094 O ASP A 72 12.006 4.765 -5.495 1.00 0.00 O ATOM 1095 CB ASP A 72 14.655 3.447 -6.931 1.00 0.00 C ATOM 1096 CG ASP A 72 16.053 3.645 -7.485 1.00 0.00 C ATOM 1097 OD1 ASP A 72 16.358 4.766 -7.945 1.00 0.00 O ATOM 1098 OD2 ASP A 72 16.844 2.678 -7.462 1.00 0.00 O ATOM 0 H ASP A 72 15.953 3.347 -4.805 1.00 0.00 H new ATOM 0 HA ASP A 72 14.401 5.391 -6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.531 2.405 -6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.926 3.644 -7.717 1.00 0.00 H new ATOM 1103 N ASP A 73 12.851 2.981 -4.383 1.00 0.00 N ATOM 1104 CA ASP A 73 11.575 2.583 -3.795 1.00 0.00 C ATOM 1105 C ASP A 73 11.097 3.620 -2.783 1.00 0.00 C ATOM 1106 O ASP A 73 9.895 3.858 -2.658 1.00 0.00 O ATOM 1107 CB ASP A 73 11.691 1.204 -3.134 1.00 0.00 C ATOM 1108 CG ASP A 73 11.748 0.075 -4.147 1.00 0.00 C ATOM 1109 OD1 ASP A 73 11.137 0.211 -5.230 1.00 0.00 O ATOM 1110 OD2 ASP A 73 12.404 -0.947 -3.857 1.00 0.00 O ATOM 0 H ASP A 73 13.635 2.382 -4.126 1.00 0.00 H new ATOM 0 HA ASP A 73 10.838 2.522 -4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.587 1.177 -2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.840 1.050 -2.471 1.00 0.00 H new ATOM 1115 N ALA A 74 12.046 4.249 -2.063 1.00 0.00 N ATOM 1116 CA ALA A 74 11.708 5.281 -1.061 1.00 0.00 C ATOM 1117 C ALA A 74 10.783 6.371 -1.630 1.00 0.00 C ATOM 1118 O ALA A 74 11.181 7.127 -2.522 1.00 0.00 O ATOM 1119 CB ALA A 74 12.978 5.917 -0.511 1.00 0.00 C ATOM 0 H ALA A 74 13.045 4.063 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 74 11.168 4.781 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.715 6.676 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.594 5.151 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.535 6.380 -1.325 1.00 0.00 H new ATOM 1125 N GLY A 75 9.559 6.436 -1.101 1.00 0.00 N ATOM 1126 CA GLY A 75 8.592 7.426 -1.549 1.00 0.00 C ATOM 1127 C GLY A 75 7.244 7.248 -0.883 1.00 0.00 C ATOM 1128 O GLY A 75 7.039 6.277 -0.150 1.00 0.00 O ATOM 0 H GLY A 75 9.220 5.816 -0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.972 8.425 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.474 7.353 -2.630 1.00 0.00 H new ATOM 1132 N ILE A 76 6.322 8.181 -1.134 1.00 0.00 N ATOM 1133 CA ILE A 76 4.988 8.110 -0.546 1.00 0.00 C ATOM 1134 C ILE A 76 4.099 7.163 -1.353 1.00 0.00 C ATOM 1135 O ILE A 76 3.560 7.548 -2.394 1.00 0.00 O ATOM 1136 CB ILE A 76 4.321 9.512 -0.438 1.00 0.00 C ATOM 1137 CG1 ILE A 76 5.268 10.480 0.307 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.959 9.411 0.266 1.00 0.00 C ATOM 1139 CD1 ILE A 76 4.660 11.826 0.671 1.00 0.00 C ATOM 0 H ILE A 76 6.476 8.989 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 76 5.101 7.722 0.466 1.00 0.00 H new ATOM 0 HB ILE A 76 4.143 9.903 -1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.612 9.995 1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.148 10.652 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.509 10.402 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.303 8.752 -0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.097 9.008 1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.403 12.432 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.342 12.339 -0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.799 11.672 1.321 1.00 0.00 H new ATOM 1151 N TYR A 77 3.933 5.931 -0.852 1.00 0.00 N ATOM 1152 CA TYR A 77 3.087 4.945 -1.521 1.00 0.00 C ATOM 1153 C TYR A 77 1.617 5.287 -1.275 1.00 0.00 C ATOM 1154 O TYR A 77 1.313 6.188 -0.484 1.00 0.00 O ATOM 1155 CB TYR A 77 3.399 3.527 -1.029 1.00 0.00 C ATOM 1156 CG TYR A 77 4.734 2.975 -1.500 1.00 0.00 C ATOM 1157 CD1 TYR A 77 5.904 3.346 -0.861 1.00 0.00 C ATOM 1158 CD2 TYR A 77 4.821 2.068 -2.552 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.132 2.837 -1.249 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.046 1.549 -2.948 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.194 1.935 -2.290 1.00 0.00 C ATOM 1162 OH TYR A 77 8.411 1.425 -2.680 1.00 0.00 O ATOM 0 H TYR A 77 4.371 5.600 0.007 1.00 0.00 H new ATOM 0 HA TYR A 77 3.291 4.975 -2.591 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.383 3.523 0.061 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.606 2.858 -1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.858 4.048 -0.042 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.922 1.764 -3.068 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.034 3.144 -0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.099 0.847 -3.767 1.00 0.00 H new ATOM 0 HH TYR A 77 9.048 2.159 -2.806 1.00 0.00 H new ATOM 1172 N LYS A 78 0.707 4.583 -1.957 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.731 4.841 -1.817 1.00 0.00 C ATOM 1174 C LYS A 78 -1.530 3.547 -1.668 1.00 0.00 C ATOM 1175 O LYS A 78 -1.096 2.484 -2.105 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.246 5.621 -3.040 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.076 6.846 -2.689 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.452 7.641 -3.930 1.00 0.00 C ATOM 1179 CE LYS A 78 -1.229 8.255 -4.599 1.00 0.00 C ATOM 1180 NZ LYS A 78 -1.577 9.461 -5.399 1.00 0.00 N ATOM 0 H LYS A 78 0.939 3.833 -2.609 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.871 5.431 -0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.394 5.933 -3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.846 4.953 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.981 6.536 -2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.515 7.482 -2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.965 6.990 -4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.152 8.431 -3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.496 8.524 -3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.759 7.514 -5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.716 9.847 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.257 9.201 -6.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.002 10.179 -4.778 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.724 3.675 -1.088 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.639 2.552 -0.903 1.00 0.00 C ATOM 1196 C CYS A 79 -5.057 3.031 -1.183 1.00 0.00 C ATOM 1197 O CYS A 79 -5.577 3.877 -0.452 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.544 1.991 0.519 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.352 0.369 0.728 1.00 0.00 S ATOM 0 H CYS A 79 -3.083 4.562 -0.734 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.368 1.752 -1.592 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.493 1.901 0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.995 2.703 1.211 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.667 2.521 -2.261 1.00 0.00 N ATOM 1205 CA VAL A 80 -7.023 2.941 -2.654 1.00 0.00 C ATOM 1206 C VAL A 80 -8.009 1.771 -2.645 1.00 0.00 C ATOM 1207 O VAL A 80 -7.696 0.677 -3.114 1.00 0.00 O ATOM 1208 CB VAL A 80 -7.032 3.593 -4.066 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -8.370 4.272 -4.351 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.892 4.597 -4.223 1.00 0.00 C ATOM 0 H VAL A 80 -5.248 1.822 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.338 3.676 -1.914 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.887 2.792 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.347 4.719 -5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.170 3.533 -4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.549 5.049 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.927 5.034 -5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.996 5.385 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.938 4.089 -4.083 1.00 0.00 H new ATOM 1220 N VAL A 81 -9.217 2.030 -2.128 1.00 0.00 N ATOM 1221 CA VAL A 81 -10.287 1.033 -2.070 1.00 0.00 C ATOM 1222 C VAL A 81 -11.512 1.598 -2.811 1.00 0.00 C ATOM 1223 O VAL A 81 -11.840 2.766 -2.625 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.581 0.639 -0.566 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -12.017 0.913 -0.099 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -10.229 -0.824 -0.317 1.00 0.00 C ATOM 0 H VAL A 81 -9.477 2.936 -1.739 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.997 0.107 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.943 1.293 0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.124 0.612 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.233 1.977 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.714 0.345 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.438 -1.077 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.826 -1.458 -0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.171 -0.984 -0.524 1.00 0.00 H new ATOM 1236 N THR A 82 -12.170 0.793 -3.669 1.00 0.00 N ATOM 1237 CA THR A 82 -13.337 1.287 -4.434 1.00 0.00 C ATOM 1238 C THR A 82 -14.645 0.581 -4.074 1.00 0.00 C ATOM 1239 O THR A 82 -14.653 -0.588 -3.697 1.00 0.00 O ATOM 1240 CB THR A 82 -13.090 1.156 -5.936 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.738 1.437 -6.251 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.961 2.083 -6.762 1.00 0.00 C ATOM 0 H THR A 82 -11.923 -0.180 -3.849 1.00 0.00 H new ATOM 0 HA THR A 82 -13.450 2.336 -4.159 1.00 0.00 H new ATOM 0 HB THR A 82 -13.342 0.125 -6.185 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.601 1.346 -7.217 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.739 1.944 -7.820 1.00 0.00 H new ATOM 0 HG22 THR A 82 -15.011 1.856 -6.578 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.759 3.117 -6.482 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.760 1.318 -4.208 1.00 0.00 N ATOM 1251 CA ALA A 83 -17.093 0.788 -3.912 1.00 0.00 C ATOM 1252 C ALA A 83 -17.813 0.346 -5.191 1.00 0.00 C ATOM 1253 O ALA A 83 -17.228 0.366 -6.277 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.915 1.836 -3.175 1.00 0.00 C ATOM 0 H ALA A 83 -15.759 2.289 -4.522 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.978 -0.090 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.905 1.435 -2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.417 2.098 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.012 2.726 -3.797 1.00 0.00 H new ATOM 1260 N GLU A 84 -19.082 -0.060 -5.050 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.884 -0.515 -6.189 1.00 0.00 C ATOM 1262 C GLU A 84 -20.261 0.649 -7.106 1.00 0.00 C ATOM 1263 O GLU A 84 -19.947 0.630 -8.299 1.00 0.00 O ATOM 1264 CB GLU A 84 -21.158 -1.217 -5.703 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.913 -1.940 -6.808 1.00 0.00 C ATOM 1266 CD GLU A 84 -23.328 -2.307 -6.407 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -24.118 -1.386 -6.109 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -23.647 -3.514 -6.392 1.00 0.00 O ATOM 0 H GLU A 84 -19.574 -0.082 -4.157 1.00 0.00 H new ATOM 0 HA GLU A 84 -19.276 -1.220 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.894 -1.934 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.818 -0.479 -5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -21.944 -1.308 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -21.371 -2.845 -7.081 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.942 1.654 -6.543 1.00 0.00 N ATOM 1276 CA ASP A 85 -21.375 2.826 -7.314 1.00 0.00 C ATOM 1277 C ASP A 85 -20.186 3.623 -7.864 1.00 0.00 C ATOM 1278 O ASP A 85 -20.305 4.275 -8.905 1.00 0.00 O ATOM 1279 CB ASP A 85 -22.263 3.740 -6.458 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.583 4.199 -5.180 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -21.533 3.409 -4.214 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -21.103 5.352 -5.146 1.00 0.00 O ATOM 0 H ASP A 85 -21.205 1.680 -5.558 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.951 2.455 -8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.549 4.613 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -23.182 3.211 -6.205 1.00 0.00 H new ATOM 1287 N GLY A 86 -19.046 3.570 -7.159 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.852 4.293 -7.587 1.00 0.00 C ATOM 1289 C GLY A 86 -17.128 5.009 -6.452 1.00 0.00 C ATOM 1290 O GLY A 86 -16.011 5.493 -6.652 1.00 0.00 O ATOM 0 H GLY A 86 -18.932 3.037 -6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -17.164 3.592 -8.060 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -18.133 5.024 -8.345 1.00 0.00 H new ATOM 1294 N THR A 87 -17.747 5.081 -5.260 1.00 0.00 N ATOM 1295 CA THR A 87 -17.131 5.743 -4.106 1.00 0.00 C ATOM 1296 C THR A 87 -15.834 5.044 -3.704 1.00 0.00 C ATOM 1297 O THR A 87 -15.864 3.953 -3.132 1.00 0.00 O ATOM 1298 CB THR A 87 -18.097 5.773 -2.914 1.00 0.00 C ATOM 1299 OG1 THR A 87 -19.334 6.355 -3.281 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.559 6.546 -1.726 1.00 0.00 C ATOM 0 H THR A 87 -18.670 4.689 -5.075 1.00 0.00 H new ATOM 0 HA THR A 87 -16.900 6.768 -4.397 1.00 0.00 H new ATOM 0 HB THR A 87 -18.225 4.731 -2.622 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.803 5.762 -3.904 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.291 6.528 -0.918 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.631 6.088 -1.384 1.00 0.00 H new ATOM 0 HG23 THR A 87 -17.368 7.578 -2.020 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.700 5.689 -3.994 1.00 0.00 N ATOM 1309 CA GLN A 88 -13.388 5.139 -3.654 1.00 0.00 C ATOM 1310 C GLN A 88 -12.607 6.092 -2.758 1.00 0.00 C ATOM 1311 O GLN A 88 -12.452 7.273 -3.076 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.546 4.837 -4.900 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.594 5.914 -5.970 1.00 0.00 C ATOM 1314 CD GLN A 88 -11.549 5.710 -7.053 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -11.879 5.615 -8.234 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.277 5.640 -6.658 1.00 0.00 N ATOM 0 H GLN A 88 -14.666 6.594 -4.464 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.579 4.206 -3.124 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -11.510 4.691 -4.596 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -12.886 3.897 -5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -13.585 5.925 -6.424 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.445 6.889 -5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.045 5.724 -5.668 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.536 5.503 -7.346 1.00 0.00 H new ATOM 1325 N SER A 89 -12.082 5.552 -1.661 1.00 0.00 N ATOM 1326 CA SER A 89 -11.265 6.316 -0.725 1.00 0.00 C ATOM 1327 C SER A 89 -9.800 5.967 -0.962 1.00 0.00 C ATOM 1328 O SER A 89 -9.498 5.114 -1.806 1.00 0.00 O ATOM 1329 CB SER A 89 -11.663 5.993 0.716 1.00 0.00 C ATOM 1330 OG SER A 89 -11.161 6.967 1.615 1.00 0.00 O ATOM 0 H SER A 89 -12.211 4.575 -1.397 1.00 0.00 H new ATOM 0 HA SER A 89 -11.421 7.383 -0.885 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.749 5.947 0.795 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.281 5.010 0.990 1.00 0.00 H new ATOM 0 HG SER A 89 -11.431 6.738 2.529 1.00 0.00 H new ATOM 1336 N GLU A 90 -8.889 6.610 -0.232 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.466 6.328 -0.403 1.00 0.00 C ATOM 1338 C GLU A 90 -6.652 6.642 0.852 1.00 0.00 C ATOM 1339 O GLU A 90 -7.189 7.103 1.861 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.907 7.099 -1.616 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.813 8.610 -1.420 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.441 9.345 -2.694 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -5.239 9.376 -3.034 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -7.352 9.890 -3.352 1.00 0.00 O ATOM 0 H GLU A 90 -9.106 7.317 0.471 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.372 5.257 -0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.914 6.714 -1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.539 6.897 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.769 8.985 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.072 8.827 -0.651 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.346 6.388 0.760 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.421 6.637 1.858 1.00 0.00 C ATOM 1353 C ALA A 91 -2.997 6.774 1.329 1.00 0.00 C ATOM 1354 O ALA A 91 -2.745 6.520 0.149 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.506 5.519 2.884 1.00 0.00 C ATOM 0 H ALA A 91 -4.904 6.005 -0.076 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.699 7.572 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.809 5.719 3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.520 5.464 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.249 4.571 2.411 1.00 0.00 H new ATOM 1361 N THR A 92 -2.070 7.176 2.201 1.00 0.00 N ATOM 1362 CA THR A 92 -0.671 7.345 1.807 1.00 0.00 C ATOM 1363 C THR A 92 0.269 6.999 2.954 1.00 0.00 C ATOM 1364 O THR A 92 -0.108 7.083 4.125 1.00 0.00 O ATOM 1365 CB THR A 92 -0.414 8.783 1.331 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.269 9.700 1.990 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.618 8.955 -0.156 1.00 0.00 C ATOM 0 H THR A 92 -2.262 7.390 3.180 1.00 0.00 H new ATOM 0 HA THR A 92 -0.473 6.659 0.983 1.00 0.00 H new ATOM 0 HB THR A 92 0.630 8.984 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.084 10.608 1.670 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.422 9.991 -0.433 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.066 8.300 -0.695 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.645 8.699 -0.414 1.00 0.00 H new ATOM 1375 N VAL A 93 1.499 6.617 2.601 1.00 0.00 N ATOM 1376 CA VAL A 93 2.511 6.261 3.591 1.00 0.00 C ATOM 1377 C VAL A 93 3.885 6.790 3.174 1.00 0.00 C ATOM 1378 O VAL A 93 4.432 6.370 2.150 1.00 0.00 O ATOM 1379 CB VAL A 93 2.562 4.723 3.808 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.848 3.990 2.501 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.575 4.338 4.891 1.00 0.00 C ATOM 0 H VAL A 93 1.816 6.547 1.634 1.00 0.00 H new ATOM 0 HA VAL A 93 2.234 6.727 4.536 1.00 0.00 H new ATOM 0 HB VAL A 93 1.578 4.412 4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.878 2.916 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.062 4.213 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.809 4.317 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.582 3.255 5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.569 4.676 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.296 4.809 5.834 1.00 0.00 H new ATOM 1391 N ASN A 94 4.437 7.702 3.987 1.00 0.00 N ATOM 1392 CA ASN A 94 5.754 8.280 3.726 1.00 0.00 C ATOM 1393 C ASN A 94 6.833 7.221 3.966 1.00 0.00 C ATOM 1394 O ASN A 94 7.254 6.996 5.103 1.00 0.00 O ATOM 1395 CB ASN A 94 5.978 9.529 4.617 1.00 0.00 C ATOM 1396 CG ASN A 94 7.425 10.041 4.659 1.00 0.00 C ATOM 1397 OD1 ASN A 94 7.886 10.521 5.693 1.00 0.00 O ATOM 1398 ND2 ASN A 94 8.146 9.942 3.541 1.00 0.00 N ATOM 0 H ASN A 94 3.987 8.053 4.832 1.00 0.00 H new ATOM 0 HA ASN A 94 5.813 8.602 2.686 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.334 10.332 4.260 1.00 0.00 H new ATOM 0 HB3 ASN A 94 5.661 9.294 5.633 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.112 10.270 3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.732 9.538 2.701 1.00 0.00 H new ATOM 1405 N VAL A 95 7.271 6.572 2.885 1.00 0.00 N ATOM 1406 CA VAL A 95 8.295 5.537 2.975 1.00 0.00 C ATOM 1407 C VAL A 95 9.667 6.103 2.601 1.00 0.00 C ATOM 1408 O VAL A 95 9.818 6.753 1.565 1.00 0.00 O ATOM 1409 CB VAL A 95 7.963 4.323 2.076 1.00 0.00 C ATOM 1410 CG1 VAL A 95 8.921 3.192 2.358 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.527 3.849 2.290 1.00 0.00 C ATOM 0 H VAL A 95 6.931 6.747 1.939 1.00 0.00 H new ATOM 0 HA VAL A 95 8.319 5.194 4.009 1.00 0.00 H new ATOM 0 HB VAL A 95 8.067 4.637 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.679 2.342 1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.941 3.519 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.837 2.896 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.326 2.995 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.392 3.556 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.837 4.658 2.048 1.00 0.00 H new ATOM 1421 N LYS A 96 10.659 5.856 3.464 1.00 0.00 N ATOM 1422 CA LYS A 96 12.023 6.340 3.254 1.00 0.00 C ATOM 1423 C LYS A 96 13.010 5.174 3.137 1.00 0.00 C ATOM 1424 O LYS A 96 12.771 4.093 3.680 1.00 0.00 O ATOM 1425 CB LYS A 96 12.427 7.262 4.427 1.00 0.00 C ATOM 1426 CG LYS A 96 12.696 8.702 4.017 1.00 0.00 C ATOM 1427 CD LYS A 96 13.049 9.567 5.221 1.00 0.00 C ATOM 1428 CE LYS A 96 11.844 9.818 6.125 1.00 0.00 C ATOM 1429 NZ LYS A 96 11.286 11.186 5.939 1.00 0.00 N ATOM 0 H LYS A 96 10.538 5.318 4.322 1.00 0.00 H new ATOM 0 HA LYS A 96 12.054 6.900 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.634 7.250 5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.320 6.857 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.512 8.730 3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.817 9.110 3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.837 9.082 5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.447 10.521 4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.071 9.079 5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.137 9.684 7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.470 11.317 6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.015 11.892 6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.983 11.306 4.951 1.00 0.00 H new ATOM 1443 N ILE A 97 14.135 5.423 2.459 1.00 0.00 N ATOM 1444 CA ILE A 97 15.188 4.422 2.304 1.00 0.00 C ATOM 1445 C ILE A 97 16.548 5.113 2.242 1.00 0.00 C ATOM 1446 O ILE A 97 16.763 6.011 1.427 1.00 0.00 O ATOM 1447 CB ILE A 97 14.998 3.496 1.071 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.551 2.948 1.039 1.00 0.00 C ATOM 1449 CG2 ILE A 97 16.024 2.355 1.115 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.280 1.872 -0.003 1.00 0.00 C ATOM 0 H ILE A 97 14.338 6.315 2.008 1.00 0.00 H new ATOM 0 HA ILE A 97 15.131 3.772 3.177 1.00 0.00 H new ATOM 0 HB ILE A 97 15.162 4.067 0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.312 2.544 2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.870 3.780 0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.887 1.708 0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.031 2.771 1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.883 1.774 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.238 1.558 0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.479 2.270 -0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.928 1.015 0.181 1.00 0.00 H new ATOM 1462 N PHE A 98 17.457 4.690 3.125 1.00 0.00 N ATOM 1463 CA PHE A 98 18.807 5.264 3.203 1.00 0.00 C ATOM 1464 C PHE A 98 19.859 4.162 3.083 1.00 0.00 C ATOM 1465 O PHE A 98 19.719 3.094 3.683 1.00 0.00 O ATOM 1466 CB PHE A 98 19.009 6.066 4.518 1.00 0.00 C ATOM 1467 CG PHE A 98 18.067 5.697 5.641 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.821 6.296 5.741 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.427 4.744 6.578 1.00 0.00 C ATOM 1470 CE1 PHE A 98 15.952 5.951 6.755 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.562 4.397 7.596 1.00 0.00 C ATOM 1472 CZ PHE A 98 16.322 5.002 7.682 1.00 0.00 C ATOM 0 H PHE A 98 17.282 3.947 3.801 1.00 0.00 H new ATOM 0 HA PHE A 98 18.924 5.958 2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 98 20.034 5.921 4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 98 18.893 7.128 4.300 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.527 7.041 5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.394 4.267 6.512 1.00 0.00 H new ATOM 0 HE1 PHE A 98 14.983 6.424 6.822 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.853 3.654 8.324 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.643 4.730 8.477 1.00 0.00 H new ATOM 1482 N GLN A 99 20.910 4.433 2.299 1.00 0.00 N ATOM 1483 CA GLN A 99 21.995 3.470 2.085 1.00 0.00 C ATOM 1484 C GLN A 99 23.219 3.820 2.939 1.00 0.00 C ATOM 1485 O GLN A 99 23.130 4.776 3.738 1.00 0.00 O ATOM 1486 CB GLN A 99 22.344 3.383 0.577 1.00 0.00 C ATOM 1487 CG GLN A 99 23.304 4.451 0.034 1.00 0.00 C ATOM 1488 CD GLN A 99 22.793 5.870 0.215 1.00 0.00 C ATOM 1489 OE1 GLN A 99 23.434 6.690 0.872 1.00 0.00 O ATOM 1490 NE2 GLN A 99 21.636 6.172 -0.370 1.00 0.00 N ATOM 1491 OXT GLN A 99 24.253 3.135 2.798 1.00 0.00 O ATOM 0 H GLN A 99 21.031 5.315 1.801 1.00 0.00 H new ATOM 0 HA GLN A 99 21.658 2.484 2.406 1.00 0.00 H new ATOM 0 HB2 GLN A 99 22.779 2.403 0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 99 21.416 3.437 0.008 1.00 0.00 H new ATOM 0 HG2 GLN A 99 24.267 4.353 0.536 1.00 0.00 H new ATOM 0 HG3 GLN A 99 23.477 4.268 -1.026 1.00 0.00 H new ATOM 0 HE21 GLN A 99 21.135 5.463 -0.906 1.00 0.00 H new ATOM 0 HE22 GLN A 99 21.250 7.112 -0.282 1.00 0.00 H new