USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 957 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 21 GLN : amide:sc= -0.325 K(o=-0.62,f=-5.9!) USER MOD Set 1.2: A 82 HIS : no HD1:sc= -0.298 X(o=-0.62,f=-0.26) USER MOD Single : A 1 GLN : amide:sc= -0.387 K(o=-0.39,f=-2.8!) USER MOD Single : A 1 GLN N :NH3+ -167:sc= -0.0876 (180deg=-0.444) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 164:sc= -0.0962 (180deg=-0.518) USER MOD Single : A 9 HIS : no HE2:sc= 0.179 K(o=0.18,f=-0.71) USER MOD Single : A 11 HIS : no HE2:sc= -0.688 K(o=-0.69,f=0.082) USER MOD Single : A 14 SER OG : rot 154:sc= 1.15 USER MOD Single : A 20 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.01) USER MOD Single : A 24 ASN : amide:sc= -0.175 K(o=-0.17,f=-0.87) USER MOD Single : A 26 HIS : no HD1:sc= -0.05 K(o=-0.05,f=-1.1) USER MOD Single : A 29 TYR OH : rot -43:sc= 0.374 USER MOD Single : A 33 GLN : amide:sc= -0.583 K(o=-0.58,f=-1.8!) USER MOD Single : A 34 ASN : amide:sc= -3.49! C(o=-3.5!,f=-7.8!) USER MOD Single : A 37 SER OG : rot -33:sc= 0.0849 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.669 K(o=-0.66,f=-2.3) USER MOD Single : A 45 MET CE :methyl 135:sc= -1.23 (180deg=-1.94) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 28:sc= 0.157 USER MOD Single : A 57 SER OG : rot 37:sc= 0.605 USER MOD Single : A 64 THR OG1 : rot 160:sc= -0.185 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 88:sc= 1.07 USER MOD Single : A 77 GLN : amide:sc= -2.19 K(o=-2.2,f=-1.5) USER MOD Single : A 78 LYS NZ :NH3+ -134:sc= -0.488 (180deg=-2.48!) USER MOD Single : A 79 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-5.4!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 92 HIS : no HD1:sc= -0.0385 X(o=-0.039,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 107:sc= 1.23 USER MOD Single : A 98 MET CE :methyl -174:sc= -0.0141 (180deg=-0.0853) USER MOD Single : A 105 LYS NZ :NH3+ 169:sc= -0.0104 (180deg=-0.101) USER MOD Single : A 107 HIS : no HD1:sc=-0.00682 X(o=-0.0068,f=-0.0068) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc=-0.000371 X(o=-0.00037,f=-0.00037) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -16.054 10.891 -8.689 1.00 0.00 N ATOM 2 CA GLN A 1 -15.659 11.109 -7.282 1.00 0.00 C ATOM 3 C GLN A 1 -14.497 10.168 -6.922 1.00 0.00 C ATOM 4 O GLN A 1 -14.253 9.174 -7.617 1.00 0.00 O ATOM 5 CB GLN A 1 -16.864 10.894 -6.311 1.00 0.00 C ATOM 6 CG GLN A 1 -18.013 11.928 -6.417 1.00 0.00 C ATOM 7 CD GLN A 1 -18.799 11.859 -7.731 1.00 0.00 C ATOM 8 OE1 GLN A 1 -18.491 12.559 -8.697 1.00 0.00 O ATOM 9 NE2 GLN A 1 -19.801 11.000 -7.785 1.00 0.00 N ATOM 0 H1 GLN A 1 -16.677 11.664 -8.998 1.00 0.00 H new ATOM 0 H2 GLN A 1 -15.205 10.870 -9.289 1.00 0.00 H new ATOM 0 H3 GLN A 1 -16.558 9.985 -8.772 1.00 0.00 H new ATOM 0 HA GLN A 1 -15.333 12.143 -7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -17.277 9.901 -6.490 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -16.487 10.902 -5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -18.702 11.776 -5.586 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -17.597 12.930 -6.307 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -20.032 10.434 -6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -20.344 10.903 -8.643 1.00 0.00 H new ATOM 20 N GLY A 2 -13.783 10.498 -5.836 1.00 0.00 N ATOM 21 CA GLY A 2 -12.671 9.690 -5.340 1.00 0.00 C ATOM 22 C GLY A 2 -11.350 10.443 -5.397 1.00 0.00 C ATOM 23 O GLY A 2 -11.287 11.598 -4.959 1.00 0.00 O ATOM 0 H GLY A 2 -13.964 11.334 -5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -12.872 9.388 -4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -12.594 8.777 -5.931 1.00 0.00 H new ATOM 27 N HIS A 3 -10.299 9.769 -5.935 1.00 0.00 N ATOM 28 CA HIS A 3 -8.904 10.289 -6.023 1.00 0.00 C ATOM 29 C HIS A 3 -8.321 10.617 -4.626 1.00 0.00 C ATOM 30 O HIS A 3 -7.349 11.371 -4.516 1.00 0.00 O ATOM 31 CB HIS A 3 -8.818 11.529 -6.969 1.00 0.00 C ATOM 32 CG HIS A 3 -9.261 11.265 -8.386 1.00 0.00 C ATOM 33 ND1 HIS A 3 -10.370 11.855 -8.952 1.00 0.00 N ATOM 34 CD2 HIS A 3 -8.731 10.473 -9.352 1.00 0.00 C ATOM 35 CE1 HIS A 3 -10.504 11.439 -10.196 1.00 0.00 C ATOM 36 NE2 HIS A 3 -9.523 10.602 -10.464 1.00 0.00 N ATOM 0 H HIS A 3 -10.397 8.833 -6.327 1.00 0.00 H new ATOM 0 HA HIS A 3 -8.294 9.494 -6.453 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -9.429 12.330 -6.554 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -7.789 11.888 -6.984 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -7.849 9.856 -9.262 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -11.286 11.735 -10.880 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.376 10.127 -11.354 1.00 0.00 H new ATOM 45 N MET A 4 -8.906 10.008 -3.575 1.00 0.00 N ATOM 46 CA MET A 4 -8.529 10.263 -2.176 1.00 0.00 C ATOM 47 C MET A 4 -7.185 9.593 -1.860 1.00 0.00 C ATOM 48 O MET A 4 -7.133 8.386 -1.606 1.00 0.00 O ATOM 49 CB MET A 4 -9.639 9.751 -1.212 1.00 0.00 C ATOM 50 CG MET A 4 -10.987 10.461 -1.355 1.00 0.00 C ATOM 51 SD MET A 4 -12.246 9.810 -0.228 1.00 0.00 S ATOM 52 CE MET A 4 -11.511 10.113 1.381 1.00 0.00 C ATOM 0 H MET A 4 -9.655 9.324 -3.676 1.00 0.00 H new ATOM 0 HA MET A 4 -8.422 11.338 -2.032 1.00 0.00 H new ATOM 0 HB2 MET A 4 -9.786 8.684 -1.382 1.00 0.00 H new ATOM 0 HB3 MET A 4 -9.291 9.865 -0.185 1.00 0.00 H new ATOM 0 HG2 MET A 4 -10.853 11.526 -1.167 1.00 0.00 H new ATOM 0 HG3 MET A 4 -11.338 10.361 -2.382 1.00 0.00 H new ATOM 0 HE1 MET A 4 -12.277 10.029 2.152 1.00 0.00 H new ATOM 0 HE2 MET A 4 -10.727 9.379 1.567 1.00 0.00 H new ATOM 0 HE3 MET A 4 -11.082 11.115 1.402 1.00 0.00 H new ATOM 62 N PHE A 5 -6.102 10.378 -1.916 1.00 0.00 N ATOM 63 CA PHE A 5 -4.754 9.916 -1.571 1.00 0.00 C ATOM 64 C PHE A 5 -4.097 10.923 -0.617 1.00 0.00 C ATOM 65 O PHE A 5 -4.052 12.127 -0.901 1.00 0.00 O ATOM 66 CB PHE A 5 -3.890 9.708 -2.844 1.00 0.00 C ATOM 67 CG PHE A 5 -2.450 9.288 -2.542 1.00 0.00 C ATOM 68 CD1 PHE A 5 -2.189 8.114 -1.834 1.00 0.00 C ATOM 69 CD2 PHE A 5 -1.366 10.074 -2.936 1.00 0.00 C ATOM 70 CE1 PHE A 5 -0.898 7.743 -1.531 1.00 0.00 C ATOM 71 CE2 PHE A 5 -0.075 9.696 -2.635 1.00 0.00 C ATOM 72 CZ PHE A 5 0.157 8.535 -1.930 1.00 0.00 C ATOM 0 H PHE A 5 -6.138 11.356 -2.203 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.829 8.950 -1.071 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.358 8.949 -3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.877 10.633 -3.420 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.011 7.488 -1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.541 10.989 -3.483 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.712 6.832 -0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.755 10.310 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 5 1.169 8.245 -1.689 1.00 0.00 H new ATOM 82 N GLU A 6 -3.581 10.396 0.492 1.00 0.00 N ATOM 83 CA GLU A 6 -2.954 11.160 1.578 1.00 0.00 C ATOM 84 C GLU A 6 -1.743 10.355 2.124 1.00 0.00 C ATOM 85 O GLU A 6 -1.683 9.131 1.926 1.00 0.00 O ATOM 86 CB GLU A 6 -4.021 11.402 2.690 1.00 0.00 C ATOM 87 CG GLU A 6 -4.610 10.105 3.286 1.00 0.00 C ATOM 88 CD GLU A 6 -5.840 10.323 4.179 1.00 0.00 C ATOM 89 OE1 GLU A 6 -5.677 10.766 5.332 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.976 10.029 3.737 1.00 0.00 O ATOM 0 H GLU A 6 -3.586 9.391 0.669 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.592 12.125 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.569 11.986 3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.832 12.001 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.882 9.435 2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.837 9.602 3.868 1.00 0.00 H new ATOM 97 N PRO A 7 -0.734 11.017 2.783 1.00 0.00 N ATOM 98 CA PRO A 7 0.370 10.299 3.468 1.00 0.00 C ATOM 99 C PRO A 7 -0.166 9.399 4.610 1.00 0.00 C ATOM 100 O PRO A 7 -0.533 9.890 5.684 1.00 0.00 O ATOM 101 CB PRO A 7 1.295 11.443 3.984 1.00 0.00 C ATOM 102 CG PRO A 7 0.424 12.666 4.005 1.00 0.00 C ATOM 103 CD PRO A 7 -0.556 12.492 2.867 1.00 0.00 C ATOM 0 HA PRO A 7 0.906 9.612 2.813 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.684 11.218 4.977 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.155 11.582 3.328 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.096 12.760 4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.017 13.571 3.875 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.499 12.999 3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.166 12.903 1.936 1.00 0.00 H new ATOM 111 N GLY A 8 -0.241 8.081 4.338 1.00 0.00 N ATOM 112 CA GLY A 8 -0.756 7.091 5.292 1.00 0.00 C ATOM 113 C GLY A 8 -1.900 6.239 4.733 1.00 0.00 C ATOM 114 O GLY A 8 -2.108 5.109 5.192 1.00 0.00 O ATOM 0 H GLY A 8 0.055 7.677 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.059 6.435 5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.102 7.607 6.187 1.00 0.00 H new ATOM 118 N HIS A 9 -2.643 6.767 3.734 1.00 0.00 N ATOM 119 CA HIS A 9 -3.880 6.117 3.231 1.00 0.00 C ATOM 120 C HIS A 9 -4.166 6.474 1.753 1.00 0.00 C ATOM 121 O HIS A 9 -3.952 7.599 1.317 1.00 0.00 O ATOM 122 CB HIS A 9 -5.081 6.521 4.139 1.00 0.00 C ATOM 123 CG HIS A 9 -6.448 6.152 3.615 1.00 0.00 C ATOM 124 ND1 HIS A 9 -7.287 7.063 3.009 1.00 0.00 N ATOM 125 CD2 HIS A 9 -7.109 4.969 3.595 1.00 0.00 C ATOM 126 CE1 HIS A 9 -8.394 6.459 2.639 1.00 0.00 C ATOM 127 NE2 HIS A 9 -8.315 5.189 2.980 1.00 0.00 N ATOM 0 H HIS A 9 -2.410 7.639 3.260 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.738 5.037 3.271 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.948 6.055 5.115 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.050 7.600 4.294 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -7.081 8.052 2.870 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.753 4.029 3.990 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.229 6.926 2.139 1.00 0.00 H new ATOM 136 N LEU A 10 -4.659 5.474 1.012 1.00 0.00 N ATOM 137 CA LEU A 10 -5.188 5.600 -0.351 1.00 0.00 C ATOM 138 C LEU A 10 -6.554 4.883 -0.416 1.00 0.00 C ATOM 139 O LEU A 10 -6.695 3.764 0.077 1.00 0.00 O ATOM 140 CB LEU A 10 -4.195 4.967 -1.368 1.00 0.00 C ATOM 141 CG LEU A 10 -4.694 4.814 -2.849 1.00 0.00 C ATOM 142 CD1 LEU A 10 -5.090 6.176 -3.475 1.00 0.00 C ATOM 143 CD2 LEU A 10 -3.634 4.083 -3.712 1.00 0.00 C ATOM 0 H LEU A 10 -4.702 4.516 1.360 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.313 6.652 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.288 5.571 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.917 3.979 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.597 4.204 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.429 6.021 -4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.894 6.625 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.226 6.841 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.000 3.988 -4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.706 4.655 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.449 3.091 -3.299 1.00 0.00 H new ATOM 155 N HIS A 11 -7.553 5.541 -1.008 1.00 0.00 N ATOM 156 CA HIS A 11 -8.865 4.941 -1.292 1.00 0.00 C ATOM 157 C HIS A 11 -8.968 4.705 -2.806 1.00 0.00 C ATOM 158 O HIS A 11 -8.916 5.662 -3.590 1.00 0.00 O ATOM 159 CB HIS A 11 -10.019 5.865 -0.800 1.00 0.00 C ATOM 160 CG HIS A 11 -11.425 5.337 -1.045 1.00 0.00 C ATOM 161 ND1 HIS A 11 -12.531 6.151 -1.076 1.00 0.00 N ATOM 162 CD2 HIS A 11 -11.901 4.075 -1.237 1.00 0.00 C ATOM 163 CE1 HIS A 11 -13.612 5.423 -1.276 1.00 0.00 C ATOM 164 NE2 HIS A 11 -13.256 4.164 -1.380 1.00 0.00 N ATOM 0 H HIS A 11 -7.477 6.513 -1.307 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.959 3.995 -0.759 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.894 6.036 0.269 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.922 6.833 -1.291 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -12.518 7.164 -0.962 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -11.314 3.169 -1.270 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.622 5.800 -1.343 1.00 0.00 H new ATOM 173 N LEU A 12 -9.109 3.432 -3.202 1.00 0.00 N ATOM 174 CA LEU A 12 -9.335 3.045 -4.596 1.00 0.00 C ATOM 175 C LEU A 12 -10.842 3.037 -4.878 1.00 0.00 C ATOM 176 O LEU A 12 -11.620 2.474 -4.110 1.00 0.00 O ATOM 177 CB LEU A 12 -8.773 1.628 -4.898 1.00 0.00 C ATOM 178 CG LEU A 12 -7.234 1.425 -4.779 1.00 0.00 C ATOM 179 CD1 LEU A 12 -6.841 -0.031 -5.152 1.00 0.00 C ATOM 180 CD2 LEU A 12 -6.463 2.451 -5.645 1.00 0.00 C ATOM 0 H LEU A 12 -9.069 2.641 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.819 3.766 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.258 0.923 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.071 1.357 -5.911 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.952 1.596 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.761 -0.151 -5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.341 -0.727 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.145 -0.238 -6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.391 2.283 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.748 2.332 -6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.706 3.461 -5.315 1.00 0.00 H new ATOM 192 N VAL A 13 -11.234 3.716 -5.939 1.00 0.00 N ATOM 193 CA VAL A 13 -12.507 3.494 -6.633 1.00 0.00 C ATOM 194 C VAL A 13 -12.160 3.293 -8.108 1.00 0.00 C ATOM 195 O VAL A 13 -11.056 3.673 -8.544 1.00 0.00 O ATOM 196 CB VAL A 13 -13.533 4.679 -6.444 1.00 0.00 C ATOM 197 CG1 VAL A 13 -14.026 4.765 -4.976 1.00 0.00 C ATOM 198 CG2 VAL A 13 -12.932 6.028 -6.906 1.00 0.00 C ATOM 0 H VAL A 13 -10.671 4.455 -6.359 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.010 2.623 -6.212 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.395 4.468 -7.076 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.731 5.590 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.519 3.832 -4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.175 4.933 -4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.665 6.821 -6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.039 6.248 -6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.667 5.966 -7.962 1.00 0.00 H new ATOM 208 N SER A 14 -13.053 2.689 -8.890 1.00 0.00 N ATOM 209 CA SER A 14 -12.800 2.405 -10.312 1.00 0.00 C ATOM 210 C SER A 14 -12.913 3.679 -11.168 1.00 0.00 C ATOM 211 O SER A 14 -13.379 4.711 -10.687 1.00 0.00 O ATOM 212 CB SER A 14 -13.795 1.337 -10.785 1.00 0.00 C ATOM 213 OG SER A 14 -15.126 1.764 -10.565 1.00 0.00 O ATOM 0 H SER A 14 -13.969 2.382 -8.563 1.00 0.00 H new ATOM 0 HA SER A 14 -11.781 2.035 -10.428 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.643 1.135 -11.845 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.614 0.403 -10.253 1.00 0.00 H new ATOM 0 HG SER A 14 -15.721 1.323 -11.207 1.00 0.00 H new ATOM 219 N LEU A 15 -12.401 3.601 -12.407 1.00 0.00 N ATOM 220 CA LEU A 15 -12.473 4.694 -13.405 1.00 0.00 C ATOM 221 C LEU A 15 -13.922 5.263 -13.587 1.00 0.00 C ATOM 222 O LEU A 15 -14.896 4.511 -13.491 1.00 0.00 O ATOM 223 CB LEU A 15 -11.845 4.209 -14.766 1.00 0.00 C ATOM 224 CG LEU A 15 -12.139 2.731 -15.228 1.00 0.00 C ATOM 225 CD1 LEU A 15 -13.626 2.471 -15.564 1.00 0.00 C ATOM 226 CD2 LEU A 15 -11.233 2.339 -16.416 1.00 0.00 C ATOM 0 H LEU A 15 -11.919 2.771 -12.753 1.00 0.00 H new ATOM 0 HA LEU A 15 -11.887 5.532 -13.028 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -12.191 4.880 -15.552 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.764 4.329 -14.697 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.907 2.095 -14.374 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.753 1.434 -15.874 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -14.237 2.664 -14.682 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.937 3.132 -16.373 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.453 1.315 -16.719 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.418 3.013 -17.253 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.188 2.412 -16.116 1.00 0.00 H new ATOM 238 N PRO A 16 -14.079 6.612 -13.813 1.00 0.00 N ATOM 239 CA PRO A 16 -15.407 7.251 -14.054 1.00 0.00 C ATOM 240 C PRO A 16 -15.934 7.014 -15.500 1.00 0.00 C ATOM 241 O PRO A 16 -15.610 5.995 -16.125 1.00 0.00 O ATOM 242 CB PRO A 16 -15.098 8.747 -13.769 1.00 0.00 C ATOM 243 CG PRO A 16 -13.681 8.915 -14.213 1.00 0.00 C ATOM 244 CD PRO A 16 -12.983 7.627 -13.823 1.00 0.00 C ATOM 0 HA PRO A 16 -16.205 6.844 -13.433 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -15.770 9.405 -14.320 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.216 8.984 -12.712 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.623 9.083 -15.288 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.217 9.775 -13.730 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -12.202 7.364 -14.536 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.507 7.711 -12.846 1.00 0.00 H new ATOM 252 N GLY A 17 -16.780 7.939 -15.998 1.00 0.00 N ATOM 253 CA GLY A 17 -17.276 7.899 -17.377 1.00 0.00 C ATOM 254 C GLY A 17 -18.313 6.801 -17.601 1.00 0.00 C ATOM 255 O GLY A 17 -19.421 6.886 -17.071 1.00 0.00 O ATOM 0 H GLY A 17 -17.133 8.727 -15.455 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.715 8.864 -17.628 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.437 7.744 -18.056 1.00 0.00 H new ATOM 259 N LEU A 18 -17.948 5.766 -18.383 1.00 0.00 N ATOM 260 CA LEU A 18 -18.800 4.581 -18.613 1.00 0.00 C ATOM 261 C LEU A 18 -18.837 3.688 -17.364 1.00 0.00 C ATOM 262 O LEU A 18 -19.850 3.022 -17.114 1.00 0.00 O ATOM 263 CB LEU A 18 -18.286 3.759 -19.829 1.00 0.00 C ATOM 264 CG LEU A 18 -18.400 4.447 -21.227 1.00 0.00 C ATOM 265 CD1 LEU A 18 -17.761 3.574 -22.335 1.00 0.00 C ATOM 266 CD2 LEU A 18 -19.876 4.784 -21.562 1.00 0.00 C ATOM 0 H LEU A 18 -17.054 5.727 -18.873 1.00 0.00 H new ATOM 0 HA LEU A 18 -19.809 4.933 -18.827 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -17.239 3.509 -19.655 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -18.837 2.819 -19.864 1.00 0.00 H new ATOM 0 HG LEU A 18 -17.845 5.384 -21.183 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.856 4.079 -23.296 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.706 3.416 -22.111 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.271 2.611 -22.379 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.927 5.262 -22.540 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.465 3.867 -21.575 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.275 5.460 -20.806 1.00 0.00 H new ATOM 278 N ASP A 19 -17.712 3.693 -16.606 1.00 0.00 N ATOM 279 CA ASP A 19 -17.499 2.831 -15.429 1.00 0.00 C ATOM 280 C ASP A 19 -17.657 1.347 -15.837 1.00 0.00 C ATOM 281 O ASP A 19 -18.726 0.747 -15.664 1.00 0.00 O ATOM 282 CB ASP A 19 -18.448 3.234 -14.258 1.00 0.00 C ATOM 283 CG ASP A 19 -18.140 2.514 -12.930 1.00 0.00 C ATOM 284 OD1 ASP A 19 -17.280 2.998 -12.168 1.00 0.00 O ATOM 285 OD2 ASP A 19 -18.775 1.481 -12.627 1.00 0.00 O ATOM 0 H ASP A 19 -16.921 4.306 -16.802 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.483 2.969 -15.059 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.379 4.310 -14.101 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -19.477 3.019 -14.547 1.00 0.00 H new ATOM 290 N GLN A 20 -16.591 0.798 -16.451 1.00 0.00 N ATOM 291 CA GLN A 20 -16.556 -0.597 -16.954 1.00 0.00 C ATOM 292 C GLN A 20 -16.857 -1.607 -15.832 1.00 0.00 C ATOM 293 O GLN A 20 -17.506 -2.637 -16.053 1.00 0.00 O ATOM 294 CB GLN A 20 -15.167 -0.898 -17.580 1.00 0.00 C ATOM 295 CG GLN A 20 -14.800 -0.011 -18.783 1.00 0.00 C ATOM 296 CD GLN A 20 -15.745 -0.191 -19.973 1.00 0.00 C ATOM 297 OE1 GLN A 20 -16.739 0.524 -20.113 1.00 0.00 O ATOM 298 NE2 GLN A 20 -15.450 -1.161 -20.827 1.00 0.00 N ATOM 0 H GLN A 20 -15.724 1.309 -16.615 1.00 0.00 H new ATOM 0 HA GLN A 20 -17.329 -0.701 -17.715 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.403 -0.779 -16.811 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -15.143 -1.941 -17.894 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.811 1.034 -18.473 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.782 -0.239 -19.098 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.619 -1.734 -20.681 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -16.054 -1.334 -21.630 1.00 0.00 H new ATOM 307 N GLN A 21 -16.388 -1.266 -14.636 1.00 0.00 N ATOM 308 CA GLN A 21 -16.513 -2.091 -13.440 1.00 0.00 C ATOM 309 C GLN A 21 -16.570 -1.180 -12.214 1.00 0.00 C ATOM 310 O GLN A 21 -16.152 -0.033 -12.296 1.00 0.00 O ATOM 311 CB GLN A 21 -15.305 -3.047 -13.374 1.00 0.00 C ATOM 312 CG GLN A 21 -15.352 -4.094 -12.258 1.00 0.00 C ATOM 313 CD GLN A 21 -14.160 -5.032 -12.297 1.00 0.00 C ATOM 314 OE1 GLN A 21 -13.609 -5.297 -13.357 1.00 0.00 O ATOM 315 NE2 GLN A 21 -13.770 -5.560 -11.158 1.00 0.00 N ATOM 0 H GLN A 21 -15.899 -0.387 -14.468 1.00 0.00 H new ATOM 0 HA GLN A 21 -17.426 -2.686 -13.467 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -15.221 -3.564 -14.330 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.400 -2.452 -13.252 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.384 -3.591 -11.292 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.271 -4.674 -12.346 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.251 -5.318 -10.292 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.986 -6.212 -11.140 1.00 0.00 H new ATOM 324 N ASP A 22 -17.099 -1.696 -11.098 1.00 0.00 N ATOM 325 CA ASP A 22 -17.204 -0.974 -9.820 1.00 0.00 C ATOM 326 C ASP A 22 -16.317 -1.666 -8.785 1.00 0.00 C ATOM 327 O ASP A 22 -16.676 -2.728 -8.292 1.00 0.00 O ATOM 328 CB ASP A 22 -18.684 -0.971 -9.338 1.00 0.00 C ATOM 329 CG ASP A 22 -18.890 -0.347 -7.941 1.00 0.00 C ATOM 330 OD1 ASP A 22 -18.554 0.837 -7.745 1.00 0.00 O ATOM 331 OD2 ASP A 22 -19.372 -1.043 -7.022 1.00 0.00 O ATOM 0 H ASP A 22 -17.473 -2.644 -11.055 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.876 0.057 -9.950 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -19.289 -0.425 -10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -19.053 -1.997 -9.324 1.00 0.00 H new ATOM 336 N ILE A 23 -15.129 -1.117 -8.509 1.00 0.00 N ATOM 337 CA ILE A 23 -14.269 -1.587 -7.405 1.00 0.00 C ATOM 338 C ILE A 23 -14.170 -0.472 -6.351 1.00 0.00 C ATOM 339 O ILE A 23 -14.173 0.712 -6.704 1.00 0.00 O ATOM 340 CB ILE A 23 -12.843 -2.040 -7.937 1.00 0.00 C ATOM 341 CG1 ILE A 23 -11.940 -0.846 -8.453 1.00 0.00 C ATOM 342 CG2 ILE A 23 -13.014 -3.113 -9.041 1.00 0.00 C ATOM 343 CD1 ILE A 23 -11.003 -0.228 -7.410 1.00 0.00 C ATOM 0 H ILE A 23 -14.734 -0.339 -9.038 1.00 0.00 H new ATOM 0 HA ILE A 23 -14.711 -2.470 -6.943 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.311 -2.461 -7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.339 -1.203 -9.289 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.591 -0.062 -8.840 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.033 -3.421 -9.404 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.537 -3.977 -8.631 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.592 -2.697 -9.866 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.431 0.579 -7.868 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.591 0.168 -6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.319 -0.991 -7.038 1.00 0.00 H new ATOM 355 N ASN A 24 -14.124 -0.853 -5.063 1.00 0.00 N ATOM 356 CA ASN A 24 -14.020 0.094 -3.928 1.00 0.00 C ATOM 357 C ASN A 24 -13.141 -0.548 -2.832 1.00 0.00 C ATOM 358 O ASN A 24 -13.575 -1.483 -2.153 1.00 0.00 O ATOM 359 CB ASN A 24 -15.422 0.454 -3.346 1.00 0.00 C ATOM 360 CG ASN A 24 -16.447 0.919 -4.391 1.00 0.00 C ATOM 361 OD1 ASN A 24 -16.563 2.105 -4.692 1.00 0.00 O ATOM 362 ND2 ASN A 24 -17.193 -0.019 -4.956 1.00 0.00 N ATOM 0 H ASN A 24 -14.158 -1.830 -4.773 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.570 1.021 -4.284 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -15.821 -0.418 -2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.301 1.240 -2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.885 0.236 -5.660 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -17.075 -0.996 -4.687 1.00 0.00 H new ATOM 369 N ILE A 25 -11.911 -0.030 -2.647 1.00 0.00 N ATOM 370 CA ILE A 25 -10.877 -0.658 -1.788 1.00 0.00 C ATOM 371 C ILE A 25 -10.260 0.384 -0.844 1.00 0.00 C ATOM 372 O ILE A 25 -9.993 1.517 -1.244 1.00 0.00 O ATOM 373 CB ILE A 25 -9.729 -1.331 -2.634 1.00 0.00 C ATOM 374 CG1 ILE A 25 -10.321 -2.356 -3.654 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.654 -2.004 -1.725 1.00 0.00 C ATOM 376 CD1 ILE A 25 -9.296 -3.082 -4.494 1.00 0.00 C ATOM 0 H ILE A 25 -11.602 0.836 -3.088 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.376 -1.436 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.228 -0.540 -3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.909 -3.093 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.007 -1.831 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.882 -2.455 -2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.204 -1.252 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.125 -2.775 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.802 -3.771 -5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.723 -2.359 -5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.623 -3.641 -3.844 1.00 0.00 H new ATOM 388 N HIS A 26 -10.033 -0.025 0.406 1.00 0.00 N ATOM 389 CA HIS A 26 -9.423 0.796 1.447 1.00 0.00 C ATOM 390 C HIS A 26 -7.980 0.307 1.627 1.00 0.00 C ATOM 391 O HIS A 26 -7.781 -0.813 2.093 1.00 0.00 O ATOM 392 CB HIS A 26 -10.207 0.633 2.790 1.00 0.00 C ATOM 393 CG HIS A 26 -11.712 0.526 2.675 1.00 0.00 C ATOM 394 ND1 HIS A 26 -12.468 -0.272 3.509 1.00 0.00 N ATOM 395 CD2 HIS A 26 -12.601 1.118 1.835 1.00 0.00 C ATOM 396 CE1 HIS A 26 -13.738 -0.171 3.189 1.00 0.00 C ATOM 397 NE2 HIS A 26 -13.845 0.667 2.181 1.00 0.00 N ATOM 0 H HIS A 26 -10.276 -0.962 0.728 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.446 1.849 1.166 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.838 -0.259 3.297 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.972 1.484 3.430 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -12.369 1.814 1.043 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -14.555 -0.688 3.671 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.718 0.938 1.729 1.00 0.00 H new ATOM 406 N ILE A 27 -6.986 1.117 1.237 1.00 0.00 N ATOM 407 CA ILE A 27 -5.555 0.774 1.396 1.00 0.00 C ATOM 408 C ILE A 27 -4.943 1.718 2.435 1.00 0.00 C ATOM 409 O ILE A 27 -4.991 2.928 2.269 1.00 0.00 O ATOM 410 CB ILE A 27 -4.735 0.874 0.044 1.00 0.00 C ATOM 411 CG1 ILE A 27 -5.333 -0.084 -1.042 1.00 0.00 C ATOM 412 CG2 ILE A 27 -3.221 0.577 0.276 1.00 0.00 C ATOM 413 CD1 ILE A 27 -4.542 -0.155 -2.345 1.00 0.00 C ATOM 0 H ILE A 27 -7.144 2.027 0.803 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.498 -0.266 1.718 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.819 1.897 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.402 -1.087 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.350 0.238 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.686 0.654 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.813 1.299 0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.105 -0.430 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.034 -0.843 -3.032 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.494 0.836 -2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.532 -0.509 -2.139 1.00 0.00 H new ATOM 425 N ARG A 28 -4.419 1.167 3.528 1.00 0.00 N ATOM 426 CA ARG A 28 -3.636 1.933 4.514 1.00 0.00 C ATOM 427 C ARG A 28 -2.189 1.466 4.410 1.00 0.00 C ATOM 428 O ARG A 28 -1.935 0.273 4.533 1.00 0.00 O ATOM 429 CB ARG A 28 -4.140 1.719 5.980 1.00 0.00 C ATOM 430 CG ARG A 28 -5.635 2.026 6.237 1.00 0.00 C ATOM 431 CD ARG A 28 -6.570 0.892 5.779 1.00 0.00 C ATOM 432 NE ARG A 28 -7.982 1.201 6.051 1.00 0.00 N ATOM 433 CZ ARG A 28 -8.953 0.291 6.220 1.00 0.00 C ATOM 434 NH1 ARG A 28 -8.680 -1.001 6.213 1.00 0.00 N ATOM 435 NH2 ARG A 28 -10.201 0.690 6.406 1.00 0.00 N ATOM 0 H ARG A 28 -4.521 0.179 3.761 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.742 2.995 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.949 0.683 6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.542 2.344 6.643 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.785 2.206 7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.906 2.945 5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.435 0.720 4.711 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.296 -0.032 6.288 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.244 2.185 6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.720 -1.319 6.078 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.429 -1.681 6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.421 1.686 6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.943 0.002 6.535 1.00 0.00 H new ATOM 449 N TYR A 29 -1.251 2.384 4.164 1.00 0.00 N ATOM 450 CA TYR A 29 0.178 2.078 4.258 1.00 0.00 C ATOM 451 C TYR A 29 0.712 2.865 5.455 1.00 0.00 C ATOM 452 O TYR A 29 0.676 4.097 5.470 1.00 0.00 O ATOM 453 CB TYR A 29 0.930 2.389 2.926 1.00 0.00 C ATOM 454 CG TYR A 29 0.958 3.858 2.465 1.00 0.00 C ATOM 455 CD1 TYR A 29 -0.150 4.457 1.850 1.00 0.00 C ATOM 456 CD2 TYR A 29 2.104 4.648 2.641 1.00 0.00 C ATOM 457 CE1 TYR A 29 -0.110 5.776 1.435 1.00 0.00 C ATOM 458 CE2 TYR A 29 2.140 5.962 2.230 1.00 0.00 C ATOM 459 CZ TYR A 29 1.037 6.520 1.626 1.00 0.00 C ATOM 460 OH TYR A 29 1.076 7.837 1.222 1.00 0.00 O ATOM 0 H TYR A 29 -1.456 3.347 3.898 1.00 0.00 H new ATOM 0 HA TYR A 29 0.345 1.012 4.413 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.960 2.047 3.031 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.476 1.794 2.134 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.050 3.879 1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.977 4.217 3.109 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.973 6.222 0.963 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.031 6.553 2.381 1.00 0.00 H new ATOM 0 HH TYR A 29 0.653 7.922 0.342 1.00 0.00 H new ATOM 470 N GLU A 30 1.175 2.144 6.482 1.00 0.00 N ATOM 471 CA GLU A 30 1.527 2.740 7.780 1.00 0.00 C ATOM 472 C GLU A 30 2.967 2.382 8.146 1.00 0.00 C ATOM 473 O GLU A 30 3.274 1.224 8.441 1.00 0.00 O ATOM 474 CB GLU A 30 0.537 2.236 8.863 1.00 0.00 C ATOM 475 CG GLU A 30 -0.941 2.600 8.593 1.00 0.00 C ATOM 476 CD GLU A 30 -1.895 2.067 9.668 1.00 0.00 C ATOM 477 OE1 GLU A 30 -2.095 2.749 10.696 1.00 0.00 O ATOM 478 OE2 GLU A 30 -2.419 0.946 9.509 1.00 0.00 O ATOM 0 H GLU A 30 1.317 1.135 6.440 1.00 0.00 H new ATOM 0 HA GLU A 30 1.454 3.826 7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.624 1.152 8.941 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.831 2.650 9.828 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.038 3.684 8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.236 2.201 7.623 1.00 0.00 H new ATOM 485 N VAL A 31 3.836 3.396 8.148 1.00 0.00 N ATOM 486 CA VAL A 31 5.262 3.233 8.435 1.00 0.00 C ATOM 487 C VAL A 31 5.485 3.181 9.957 1.00 0.00 C ATOM 488 O VAL A 31 5.135 4.120 10.676 1.00 0.00 O ATOM 489 CB VAL A 31 6.089 4.406 7.789 1.00 0.00 C ATOM 490 CG1 VAL A 31 7.598 4.302 8.114 1.00 0.00 C ATOM 491 CG2 VAL A 31 5.842 4.467 6.259 1.00 0.00 C ATOM 0 H VAL A 31 3.567 4.360 7.949 1.00 0.00 H new ATOM 0 HA VAL A 31 5.608 2.296 7.999 1.00 0.00 H new ATOM 0 HB VAL A 31 5.738 5.339 8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.129 5.132 7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.741 4.341 9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.989 3.360 7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.422 5.284 5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.148 3.525 5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.782 4.635 6.068 1.00 0.00 H new ATOM 501 N ARG A 32 6.038 2.067 10.433 1.00 0.00 N ATOM 502 CA ARG A 32 6.393 1.858 11.840 1.00 0.00 C ATOM 503 C ARG A 32 7.824 1.309 11.874 1.00 0.00 C ATOM 504 O ARG A 32 8.228 0.569 10.973 1.00 0.00 O ATOM 505 CB ARG A 32 5.362 0.891 12.506 1.00 0.00 C ATOM 506 CG ARG A 32 5.397 0.816 14.062 1.00 0.00 C ATOM 507 CD ARG A 32 6.425 -0.184 14.629 1.00 0.00 C ATOM 508 NE ARG A 32 6.500 -0.132 16.100 1.00 0.00 N ATOM 509 CZ ARG A 32 7.185 -0.987 16.872 1.00 0.00 C ATOM 510 NH1 ARG A 32 7.839 -2.016 16.350 1.00 0.00 N ATOM 511 NH2 ARG A 32 7.208 -0.801 18.182 1.00 0.00 N ATOM 0 H ARG A 32 6.257 1.266 9.841 1.00 0.00 H new ATOM 0 HA ARG A 32 6.358 2.787 12.409 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.361 1.194 12.200 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.527 -0.111 12.111 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.618 1.808 14.456 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.405 0.543 14.423 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.158 -1.193 14.316 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.408 0.031 14.209 1.00 0.00 H new ATOM 0 HE ARG A 32 5.989 0.616 16.569 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.827 -2.169 15.342 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.354 -2.654 16.957 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.708 -0.013 18.594 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.726 -1.445 18.780 1.00 0.00 H new ATOM 525 N GLN A 33 8.592 1.679 12.902 1.00 0.00 N ATOM 526 CA GLN A 33 10.008 1.312 13.017 1.00 0.00 C ATOM 527 C GLN A 33 10.124 0.169 14.042 1.00 0.00 C ATOM 528 O GLN A 33 9.817 0.361 15.223 1.00 0.00 O ATOM 529 CB GLN A 33 10.855 2.543 13.462 1.00 0.00 C ATOM 530 CG GLN A 33 10.583 3.858 12.696 1.00 0.00 C ATOM 531 CD GLN A 33 10.863 3.785 11.190 1.00 0.00 C ATOM 532 OE1 GLN A 33 11.984 4.013 10.742 1.00 0.00 O ATOM 533 NE2 GLN A 33 9.838 3.509 10.400 1.00 0.00 N ATOM 0 H GLN A 33 8.250 2.243 13.680 1.00 0.00 H new ATOM 0 HA GLN A 33 10.391 0.983 12.051 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.677 2.719 14.523 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.910 2.293 13.353 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.542 4.142 12.846 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.195 4.649 13.129 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.919 3.324 10.803 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.967 3.481 9.389 1.00 0.00 H new ATOM 542 N ASN A 34 10.511 -1.028 13.574 1.00 0.00 N ATOM 543 CA ASN A 34 10.742 -2.198 14.437 1.00 0.00 C ATOM 544 C ASN A 34 12.252 -2.347 14.680 1.00 0.00 C ATOM 545 O ASN A 34 13.059 -2.106 13.778 1.00 0.00 O ATOM 546 CB ASN A 34 10.118 -3.482 13.802 1.00 0.00 C ATOM 547 CG ASN A 34 10.883 -4.050 12.600 1.00 0.00 C ATOM 548 OD1 ASN A 34 11.600 -5.027 12.724 1.00 0.00 O ATOM 549 ND2 ASN A 34 10.771 -3.426 11.445 1.00 0.00 N ATOM 0 H ASN A 34 10.673 -1.213 12.584 1.00 0.00 H new ATOM 0 HA ASN A 34 10.250 -2.055 15.399 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.053 -4.253 14.569 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.098 -3.256 13.490 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.290 -3.759 10.633 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.165 -2.610 11.363 1.00 0.00 H new ATOM 556 N ALA A 35 12.631 -2.743 15.901 1.00 0.00 N ATOM 557 CA ALA A 35 14.044 -2.891 16.302 1.00 0.00 C ATOM 558 C ALA A 35 14.729 -4.085 15.596 1.00 0.00 C ATOM 559 O ALA A 35 15.960 -4.163 15.559 1.00 0.00 O ATOM 560 CB ALA A 35 14.132 -3.040 17.828 1.00 0.00 C ATOM 0 H ALA A 35 11.969 -2.971 16.643 1.00 0.00 H new ATOM 0 HA ALA A 35 14.578 -1.993 15.992 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.176 -3.149 18.123 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.711 -2.155 18.305 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.572 -3.922 18.140 1.00 0.00 H new ATOM 566 N GLU A 36 13.912 -4.993 15.032 1.00 0.00 N ATOM 567 CA GLU A 36 14.383 -6.232 14.395 1.00 0.00 C ATOM 568 C GLU A 36 15.014 -5.958 13.010 1.00 0.00 C ATOM 569 O GLU A 36 16.113 -6.441 12.721 1.00 0.00 O ATOM 570 CB GLU A 36 13.191 -7.231 14.289 1.00 0.00 C ATOM 571 CG GLU A 36 13.485 -8.564 13.565 1.00 0.00 C ATOM 572 CD GLU A 36 14.578 -9.409 14.243 1.00 0.00 C ATOM 573 OE1 GLU A 36 14.342 -9.913 15.361 1.00 0.00 O ATOM 574 OE2 GLU A 36 15.683 -9.562 13.674 1.00 0.00 O ATOM 0 H GLU A 36 12.898 -4.885 15.006 1.00 0.00 H new ATOM 0 HA GLU A 36 15.168 -6.671 15.010 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.842 -7.457 15.297 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.371 -6.733 13.772 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.567 -9.149 13.512 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.787 -8.351 12.539 1.00 0.00 H new ATOM 581 N SER A 37 14.333 -5.151 12.182 1.00 0.00 N ATOM 582 CA SER A 37 14.669 -4.984 10.745 1.00 0.00 C ATOM 583 C SER A 37 14.856 -3.497 10.361 1.00 0.00 C ATOM 584 O SER A 37 15.353 -3.193 9.269 1.00 0.00 O ATOM 585 CB SER A 37 13.541 -5.631 9.892 1.00 0.00 C ATOM 586 OG SER A 37 13.844 -5.624 8.506 1.00 0.00 O ATOM 0 H SER A 37 13.533 -4.593 12.482 1.00 0.00 H new ATOM 0 HA SER A 37 15.620 -5.479 10.549 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.382 -6.658 10.222 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.607 -5.094 10.060 1.00 0.00 H new ATOM 0 HG SER A 37 14.362 -4.821 8.288 1.00 0.00 H new ATOM 592 N GLY A 38 14.465 -2.578 11.261 1.00 0.00 N ATOM 593 CA GLY A 38 14.496 -1.136 10.983 1.00 0.00 C ATOM 594 C GLY A 38 13.104 -0.640 10.634 1.00 0.00 C ATOM 595 O GLY A 38 12.132 -1.059 11.257 1.00 0.00 O ATOM 0 H GLY A 38 14.122 -2.813 12.192 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.874 -0.599 11.853 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.180 -0.931 10.159 1.00 0.00 H new ATOM 599 N ALA A 39 12.998 0.247 9.643 1.00 0.00 N ATOM 600 CA ALA A 39 11.695 0.696 9.123 1.00 0.00 C ATOM 601 C ALA A 39 10.943 -0.458 8.425 1.00 0.00 C ATOM 602 O ALA A 39 11.565 -1.317 7.797 1.00 0.00 O ATOM 603 CB ALA A 39 11.890 1.871 8.157 1.00 0.00 C ATOM 0 H ALA A 39 13.800 0.673 9.179 1.00 0.00 H new ATOM 0 HA ALA A 39 11.088 1.027 9.966 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.921 2.195 7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.370 2.697 8.681 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.518 1.557 7.324 1.00 0.00 H new ATOM 609 N TYR A 40 9.611 -0.479 8.580 1.00 0.00 N ATOM 610 CA TYR A 40 8.711 -1.376 7.822 1.00 0.00 C ATOM 611 C TYR A 40 7.372 -0.667 7.618 1.00 0.00 C ATOM 612 O TYR A 40 7.094 0.341 8.280 1.00 0.00 O ATOM 613 CB TYR A 40 8.526 -2.768 8.523 1.00 0.00 C ATOM 614 CG TYR A 40 7.469 -2.854 9.644 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.769 -2.500 10.957 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.172 -3.324 9.382 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.829 -2.601 11.959 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.227 -3.417 10.382 1.00 0.00 C ATOM 619 CZ TYR A 40 5.562 -3.059 11.671 1.00 0.00 C ATOM 620 OH TYR A 40 4.629 -3.169 12.681 1.00 0.00 O ATOM 0 H TYR A 40 9.120 0.127 9.237 1.00 0.00 H new ATOM 0 HA TYR A 40 9.163 -1.591 6.854 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.269 -3.501 7.758 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.487 -3.067 8.940 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.759 -2.139 11.195 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.909 -3.619 8.377 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.085 -2.321 12.970 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.231 -3.768 10.157 1.00 0.00 H new ATOM 0 HH TYR A 40 3.786 -3.506 12.312 1.00 0.00 H new ATOM 630 N VAL A 41 6.535 -1.187 6.703 1.00 0.00 N ATOM 631 CA VAL A 41 5.222 -0.584 6.398 1.00 0.00 C ATOM 632 C VAL A 41 4.118 -1.667 6.437 1.00 0.00 C ATOM 633 O VAL A 41 4.295 -2.767 5.897 1.00 0.00 O ATOM 634 CB VAL A 41 5.208 0.141 4.997 1.00 0.00 C ATOM 635 CG1 VAL A 41 3.946 1.023 4.834 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.487 0.973 4.748 1.00 0.00 C ATOM 0 H VAL A 41 6.744 -2.025 6.160 1.00 0.00 H new ATOM 0 HA VAL A 41 5.028 0.170 7.161 1.00 0.00 H new ATOM 0 HB VAL A 41 5.182 -0.645 4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.965 1.509 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.055 0.401 4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.928 1.781 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.426 1.451 3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.580 1.737 5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.358 0.319 4.778 1.00 0.00 H new ATOM 646 N HIS A 42 2.995 -1.333 7.093 1.00 0.00 N ATOM 647 CA HIS A 42 1.790 -2.176 7.183 1.00 0.00 C ATOM 648 C HIS A 42 0.811 -1.766 6.067 1.00 0.00 C ATOM 649 O HIS A 42 0.292 -0.649 6.088 1.00 0.00 O ATOM 650 CB HIS A 42 1.142 -2.001 8.593 1.00 0.00 C ATOM 651 CG HIS A 42 -0.250 -2.586 8.768 1.00 0.00 C ATOM 652 ND1 HIS A 42 -0.492 -3.885 9.157 1.00 0.00 N ATOM 653 CD2 HIS A 42 -1.477 -2.015 8.622 1.00 0.00 C ATOM 654 CE1 HIS A 42 -1.795 -4.085 9.242 1.00 0.00 C ATOM 655 NE2 HIS A 42 -2.410 -2.967 8.925 1.00 0.00 N ATOM 0 H HIS A 42 2.897 -0.447 7.588 1.00 0.00 H new ATOM 0 HA HIS A 42 2.047 -3.227 7.053 1.00 0.00 H new ATOM 0 HB2 HIS A 42 1.801 -2.457 9.332 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.097 -0.936 8.820 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.677 -0.997 8.322 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -2.274 -5.011 9.524 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.421 -2.832 8.908 1.00 0.00 H new ATOM 664 N PHE A 43 0.576 -2.667 5.098 1.00 0.00 N ATOM 665 CA PHE A 43 -0.346 -2.433 3.964 1.00 0.00 C ATOM 666 C PHE A 43 -1.645 -3.210 4.210 1.00 0.00 C ATOM 667 O PHE A 43 -1.642 -4.440 4.234 1.00 0.00 O ATOM 668 CB PHE A 43 0.310 -2.873 2.633 1.00 0.00 C ATOM 669 CG PHE A 43 1.668 -2.228 2.374 1.00 0.00 C ATOM 670 CD1 PHE A 43 1.758 -0.950 1.835 1.00 0.00 C ATOM 671 CD2 PHE A 43 2.855 -2.898 2.679 1.00 0.00 C ATOM 672 CE1 PHE A 43 2.984 -0.361 1.608 1.00 0.00 C ATOM 673 CE2 PHE A 43 4.077 -2.309 2.447 1.00 0.00 C ATOM 674 CZ PHE A 43 4.144 -1.041 1.912 1.00 0.00 C ATOM 0 H PHE A 43 1.021 -3.585 5.076 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.570 -1.369 3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.428 -3.957 2.637 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.361 -2.629 1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.855 -0.411 1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.813 -3.891 3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.035 0.634 1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.986 -2.842 2.685 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.104 -0.580 1.731 1.00 0.00 H new ATOM 684 N ASP A 44 -2.751 -2.485 4.374 1.00 0.00 N ATOM 685 CA ASP A 44 -4.031 -3.049 4.833 1.00 0.00 C ATOM 686 C ASP A 44 -5.104 -2.792 3.765 1.00 0.00 C ATOM 687 O ASP A 44 -5.381 -1.638 3.457 1.00 0.00 O ATOM 688 CB ASP A 44 -4.414 -2.382 6.178 1.00 0.00 C ATOM 689 CG ASP A 44 -5.517 -3.130 6.938 1.00 0.00 C ATOM 690 OD1 ASP A 44 -6.702 -3.001 6.575 1.00 0.00 O ATOM 691 OD2 ASP A 44 -5.195 -3.865 7.897 1.00 0.00 O ATOM 0 H ASP A 44 -2.790 -1.482 4.192 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.947 -4.125 4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.527 -2.319 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.743 -1.361 5.988 1.00 0.00 H new ATOM 696 N MET A 45 -5.703 -3.865 3.207 1.00 0.00 N ATOM 697 CA MET A 45 -6.662 -3.764 2.074 1.00 0.00 C ATOM 698 C MET A 45 -7.991 -4.469 2.408 1.00 0.00 C ATOM 699 O MET A 45 -7.983 -5.582 2.918 1.00 0.00 O ATOM 700 CB MET A 45 -6.051 -4.377 0.779 1.00 0.00 C ATOM 701 CG MET A 45 -4.755 -3.709 0.296 1.00 0.00 C ATOM 702 SD MET A 45 -4.123 -4.425 -1.242 1.00 0.00 S ATOM 703 CE MET A 45 -5.484 -4.138 -2.375 1.00 0.00 C ATOM 0 H MET A 45 -5.541 -4.821 3.522 1.00 0.00 H new ATOM 0 HA MET A 45 -6.863 -2.706 1.905 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.854 -5.435 0.953 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.792 -4.318 -0.018 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.935 -2.644 0.148 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.995 -3.799 1.072 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.097 -3.756 -3.319 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.014 -5.074 -2.552 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.170 -3.409 -1.943 1.00 0.00 H new ATOM 713 N ASP A 46 -9.122 -3.817 2.104 1.00 0.00 N ATOM 714 CA ASP A 46 -10.470 -4.410 2.278 1.00 0.00 C ATOM 715 C ASP A 46 -11.516 -3.581 1.517 1.00 0.00 C ATOM 716 O ASP A 46 -11.182 -2.576 0.904 1.00 0.00 O ATOM 717 CB ASP A 46 -10.860 -4.536 3.786 1.00 0.00 C ATOM 718 CG ASP A 46 -11.323 -3.217 4.431 1.00 0.00 C ATOM 719 OD1 ASP A 46 -10.501 -2.306 4.602 1.00 0.00 O ATOM 720 OD2 ASP A 46 -12.525 -3.085 4.767 1.00 0.00 O ATOM 0 H ASP A 46 -9.136 -2.867 1.732 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.445 -5.418 1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.656 -5.274 3.883 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.003 -4.917 4.341 1.00 0.00 H new ATOM 725 N GLY A 47 -12.775 -4.035 1.541 1.00 0.00 N ATOM 726 CA GLY A 47 -13.892 -3.298 0.944 1.00 0.00 C ATOM 727 C GLY A 47 -14.795 -4.226 0.169 1.00 0.00 C ATOM 728 O GLY A 47 -15.273 -5.210 0.727 1.00 0.00 O ATOM 0 H GLY A 47 -13.046 -4.919 1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.463 -2.798 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.509 -2.521 0.283 1.00 0.00 H new ATOM 732 N GLU A 48 -15.003 -3.925 -1.121 1.00 0.00 N ATOM 733 CA GLU A 48 -15.836 -4.723 -2.038 1.00 0.00 C ATOM 734 C GLU A 48 -15.350 -4.535 -3.481 1.00 0.00 C ATOM 735 O GLU A 48 -14.588 -3.599 -3.766 1.00 0.00 O ATOM 736 CB GLU A 48 -17.329 -4.328 -1.905 1.00 0.00 C ATOM 737 CG GLU A 48 -17.626 -2.834 -2.167 1.00 0.00 C ATOM 738 CD GLU A 48 -19.127 -2.522 -2.152 1.00 0.00 C ATOM 739 OE1 GLU A 48 -19.683 -2.289 -1.056 1.00 0.00 O ATOM 740 OE2 GLU A 48 -19.759 -2.535 -3.232 1.00 0.00 O ATOM 0 H GLU A 48 -14.590 -3.105 -1.566 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.743 -5.776 -1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -17.913 -4.929 -2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.670 -4.582 -0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.125 -2.229 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.208 -2.548 -3.132 1.00 0.00 H new ATOM 747 N ILE A 49 -15.833 -5.393 -4.405 1.00 0.00 N ATOM 748 CA ILE A 49 -15.368 -5.466 -5.801 1.00 0.00 C ATOM 749 C ILE A 49 -16.562 -6.115 -6.555 1.00 0.00 C ATOM 750 O ILE A 49 -16.818 -7.314 -6.348 1.00 0.00 O ATOM 751 CB ILE A 49 -14.031 -6.303 -6.035 1.00 0.00 C ATOM 752 CG1 ILE A 49 -12.765 -5.568 -5.462 1.00 0.00 C ATOM 753 CG2 ILE A 49 -13.836 -6.607 -7.544 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.435 -6.275 -5.696 1.00 0.00 C ATOM 0 H ILE A 49 -16.571 -6.065 -4.195 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.095 -4.471 -6.153 1.00 0.00 H new ATOM 0 HB ILE A 49 -14.140 -7.241 -5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.711 -4.574 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.900 -5.431 -4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.919 -7.179 -7.684 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.684 -7.185 -7.911 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.768 -5.671 -8.098 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.628 -5.685 -5.262 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.458 -7.259 -5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.266 -6.388 -6.767 1.00 0.00 H new ATOM 766 N ASP A 50 -17.331 -5.317 -7.337 1.00 0.00 N ATOM 767 CA ASP A 50 -18.575 -5.766 -8.025 1.00 0.00 C ATOM 768 C ASP A 50 -19.640 -6.160 -6.978 1.00 0.00 C ATOM 769 O ASP A 50 -20.375 -7.144 -7.143 1.00 0.00 O ATOM 770 CB ASP A 50 -18.316 -6.932 -9.033 1.00 0.00 C ATOM 771 CG ASP A 50 -17.360 -6.559 -10.169 1.00 0.00 C ATOM 772 OD1 ASP A 50 -16.157 -6.408 -9.903 1.00 0.00 O ATOM 773 OD2 ASP A 50 -17.798 -6.439 -11.336 1.00 0.00 O ATOM 0 H ASP A 50 -17.107 -4.337 -7.511 1.00 0.00 H new ATOM 0 HA ASP A 50 -18.946 -4.929 -8.616 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.908 -7.785 -8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -19.267 -7.250 -9.460 1.00 0.00 H new ATOM 778 N GLY A 51 -19.721 -5.351 -5.906 1.00 0.00 N ATOM 779 CA GLY A 51 -20.603 -5.611 -4.763 1.00 0.00 C ATOM 780 C GLY A 51 -20.061 -6.633 -3.757 1.00 0.00 C ATOM 781 O GLY A 51 -20.460 -6.617 -2.586 1.00 0.00 O ATOM 0 H GLY A 51 -19.173 -4.496 -5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.788 -4.671 -4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.565 -5.963 -5.136 1.00 0.00 H new ATOM 785 N LYS A 52 -19.150 -7.521 -4.204 1.00 0.00 N ATOM 786 CA LYS A 52 -18.659 -8.669 -3.420 1.00 0.00 C ATOM 787 C LYS A 52 -17.529 -8.225 -2.464 1.00 0.00 C ATOM 788 O LYS A 52 -16.477 -7.788 -2.938 1.00 0.00 O ATOM 789 CB LYS A 52 -18.150 -9.751 -4.409 1.00 0.00 C ATOM 790 CG LYS A 52 -19.230 -10.263 -5.403 1.00 0.00 C ATOM 791 CD LYS A 52 -18.645 -11.108 -6.564 1.00 0.00 C ATOM 792 CE LYS A 52 -17.714 -10.291 -7.481 1.00 0.00 C ATOM 793 NZ LYS A 52 -17.233 -11.078 -8.645 1.00 0.00 N ATOM 0 H LYS A 52 -18.730 -7.459 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.464 -9.078 -2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.313 -9.344 -4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.767 -10.597 -3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -19.960 -10.862 -4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -19.765 -9.409 -5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.093 -11.952 -6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.462 -11.520 -7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.243 -9.407 -7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.858 -9.939 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.611 -10.486 -9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.704 -11.908 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.047 -11.392 -9.212 1.00 0.00 H new ATOM 807 N PRO A 53 -17.725 -8.328 -1.107 1.00 0.00 N ATOM 808 CA PRO A 53 -16.746 -7.830 -0.107 1.00 0.00 C ATOM 809 C PRO A 53 -15.493 -8.723 0.039 1.00 0.00 C ATOM 810 O PRO A 53 -15.488 -9.887 -0.392 1.00 0.00 O ATOM 811 CB PRO A 53 -17.579 -7.790 1.197 1.00 0.00 C ATOM 812 CG PRO A 53 -18.563 -8.907 1.036 1.00 0.00 C ATOM 813 CD PRO A 53 -18.914 -8.931 -0.441 1.00 0.00 C ATOM 0 HA PRO A 53 -16.326 -6.866 -0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.951 -7.936 2.076 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -18.082 -6.831 1.320 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -18.133 -9.857 1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -19.450 -8.739 1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -19.094 -9.947 -0.791 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.819 -8.358 -0.645 1.00 0.00 H new ATOM 821 N PHE A 54 -14.426 -8.145 0.635 1.00 0.00 N ATOM 822 CA PHE A 54 -13.173 -8.864 0.951 1.00 0.00 C ATOM 823 C PHE A 54 -12.387 -8.146 2.062 1.00 0.00 C ATOM 824 O PHE A 54 -12.667 -6.987 2.388 1.00 0.00 O ATOM 825 CB PHE A 54 -12.267 -9.005 -0.307 1.00 0.00 C ATOM 826 CG PHE A 54 -11.578 -7.716 -0.780 1.00 0.00 C ATOM 827 CD1 PHE A 54 -12.303 -6.694 -1.392 1.00 0.00 C ATOM 828 CD2 PHE A 54 -10.201 -7.536 -0.603 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.675 -5.536 -1.809 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.577 -6.381 -1.022 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.313 -5.384 -1.625 1.00 0.00 C ATOM 0 H PHE A 54 -14.411 -7.163 0.911 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.456 -9.858 1.297 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.499 -9.750 -0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.872 -9.393 -1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.366 -6.809 -1.542 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.619 -8.314 -0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.248 -4.750 -2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.514 -6.257 -0.878 1.00 0.00 H new ATOM 0 HZ PHE A 54 -9.824 -4.480 -1.955 1.00 0.00 H new ATOM 841 N SER A 55 -11.404 -8.870 2.621 1.00 0.00 N ATOM 842 CA SER A 55 -10.402 -8.328 3.549 1.00 0.00 C ATOM 843 C SER A 55 -9.109 -9.163 3.468 1.00 0.00 C ATOM 844 O SER A 55 -9.148 -10.381 3.688 1.00 0.00 O ATOM 845 CB SER A 55 -10.975 -8.317 4.989 1.00 0.00 C ATOM 846 OG SER A 55 -11.455 -9.601 5.380 1.00 0.00 O ATOM 0 H SER A 55 -11.282 -9.866 2.437 1.00 0.00 H new ATOM 0 HA SER A 55 -10.160 -7.302 3.271 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.202 -7.991 5.685 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.786 -7.592 5.051 1.00 0.00 H new ATOM 0 HG SER A 55 -10.965 -10.296 4.893 1.00 0.00 H new ATOM 852 N ASP A 56 -7.977 -8.510 3.133 1.00 0.00 N ATOM 853 CA ASP A 56 -6.642 -9.147 3.072 1.00 0.00 C ATOM 854 C ASP A 56 -5.536 -8.082 3.273 1.00 0.00 C ATOM 855 O ASP A 56 -5.668 -6.954 2.803 1.00 0.00 O ATOM 856 CB ASP A 56 -6.467 -9.896 1.719 1.00 0.00 C ATOM 857 CG ASP A 56 -5.131 -10.652 1.589 1.00 0.00 C ATOM 858 OD1 ASP A 56 -4.690 -11.284 2.575 1.00 0.00 O ATOM 859 OD2 ASP A 56 -4.518 -10.624 0.502 1.00 0.00 O ATOM 0 H ASP A 56 -7.962 -7.518 2.895 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.556 -9.879 3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.287 -10.604 1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.546 -9.176 0.904 1.00 0.00 H new ATOM 864 N SER A 57 -4.431 -8.457 3.939 1.00 0.00 N ATOM 865 CA SER A 57 -3.392 -7.499 4.388 1.00 0.00 C ATOM 866 C SER A 57 -1.993 -8.150 4.338 1.00 0.00 C ATOM 867 O SER A 57 -1.855 -9.360 4.563 1.00 0.00 O ATOM 868 CB SER A 57 -3.733 -7.010 5.825 1.00 0.00 C ATOM 869 OG SER A 57 -2.732 -6.160 6.371 1.00 0.00 O ATOM 0 H SER A 57 -4.228 -9.426 4.183 1.00 0.00 H new ATOM 0 HA SER A 57 -3.376 -6.640 3.717 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.684 -6.478 5.806 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.864 -7.874 6.476 1.00 0.00 H new ATOM 0 HG SER A 57 -2.367 -5.588 5.664 1.00 0.00 H new ATOM 875 N PHE A 58 -0.968 -7.327 4.033 1.00 0.00 N ATOM 876 CA PHE A 58 0.447 -7.751 3.952 1.00 0.00 C ATOM 877 C PHE A 58 1.367 -6.651 4.512 1.00 0.00 C ATOM 878 O PHE A 58 1.046 -5.470 4.430 1.00 0.00 O ATOM 879 CB PHE A 58 0.851 -8.090 2.486 1.00 0.00 C ATOM 880 CG PHE A 58 0.746 -6.935 1.468 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.487 -6.568 0.923 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.881 -6.231 1.045 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.584 -5.546 -0.003 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.782 -5.210 0.113 1.00 0.00 C ATOM 885 CZ PHE A 58 0.551 -4.869 -0.407 1.00 0.00 C ATOM 0 H PHE A 58 -1.101 -6.336 3.833 1.00 0.00 H new ATOM 0 HA PHE A 58 0.562 -8.653 4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.879 -8.452 2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.224 -8.911 2.139 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.380 -7.092 1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.848 -6.488 1.451 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.547 -5.277 -0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.668 -4.682 -0.206 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.474 -4.072 -1.131 1.00 0.00 H new ATOM 895 N GLU A 59 2.514 -7.053 5.082 1.00 0.00 N ATOM 896 CA GLU A 59 3.548 -6.124 5.586 1.00 0.00 C ATOM 897 C GLU A 59 4.844 -6.364 4.809 1.00 0.00 C ATOM 898 O GLU A 59 5.237 -7.519 4.590 1.00 0.00 O ATOM 899 CB GLU A 59 3.820 -6.301 7.116 1.00 0.00 C ATOM 900 CG GLU A 59 2.716 -5.792 8.068 1.00 0.00 C ATOM 901 CD GLU A 59 1.416 -6.609 8.009 1.00 0.00 C ATOM 902 OE1 GLU A 59 1.426 -7.778 8.449 1.00 0.00 O ATOM 903 OE2 GLU A 59 0.377 -6.084 7.554 1.00 0.00 O ATOM 0 H GLU A 59 2.755 -8.036 5.209 1.00 0.00 H new ATOM 0 HA GLU A 59 3.184 -5.107 5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.982 -7.360 7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.748 -5.785 7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.096 -5.806 9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.492 -4.753 7.826 1.00 0.00 H new ATOM 910 N LEU A 60 5.501 -5.273 4.390 1.00 0.00 N ATOM 911 CA LEU A 60 6.810 -5.320 3.722 1.00 0.00 C ATOM 912 C LEU A 60 7.799 -4.432 4.504 1.00 0.00 C ATOM 913 O LEU A 60 7.497 -3.256 4.742 1.00 0.00 O ATOM 914 CB LEU A 60 6.695 -4.845 2.247 1.00 0.00 C ATOM 915 CG LEU A 60 5.761 -5.688 1.321 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.601 -5.037 -0.070 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.269 -7.142 1.197 1.00 0.00 C ATOM 0 H LEU A 60 5.137 -4.327 4.506 1.00 0.00 H new ATOM 0 HA LEU A 60 7.173 -6.348 3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.339 -3.815 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.694 -4.838 1.811 1.00 0.00 H new ATOM 0 HG LEU A 60 4.775 -5.712 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.945 -5.652 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.168 -4.043 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.577 -4.956 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.601 -7.707 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.273 -7.142 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.292 -7.605 2.184 1.00 0.00 H new ATOM 929 N PRO A 61 8.980 -4.988 4.945 1.00 0.00 N ATOM 930 CA PRO A 61 10.077 -4.189 5.551 1.00 0.00 C ATOM 931 C PRO A 61 10.688 -3.196 4.540 1.00 0.00 C ATOM 932 O PRO A 61 10.386 -3.275 3.360 1.00 0.00 O ATOM 933 CB PRO A 61 11.103 -5.270 5.996 1.00 0.00 C ATOM 934 CG PRO A 61 10.828 -6.442 5.105 1.00 0.00 C ATOM 935 CD PRO A 61 9.331 -6.438 4.904 1.00 0.00 C ATOM 0 HA PRO A 61 9.739 -3.563 6.377 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.127 -4.916 5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.973 -5.531 7.046 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.354 -6.347 4.155 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.162 -7.373 5.563 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.052 -6.892 3.953 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.819 -6.998 5.687 1.00 0.00 H new ATOM 943 N ARG A 62 11.527 -2.263 5.029 1.00 0.00 N ATOM 944 CA ARG A 62 12.262 -1.270 4.188 1.00 0.00 C ATOM 945 C ARG A 62 12.946 -1.924 2.958 1.00 0.00 C ATOM 946 O ARG A 62 12.983 -1.338 1.864 1.00 0.00 O ATOM 947 CB ARG A 62 13.312 -0.524 5.061 1.00 0.00 C ATOM 948 CG ARG A 62 14.215 0.470 4.289 1.00 0.00 C ATOM 949 CD ARG A 62 15.217 1.207 5.190 1.00 0.00 C ATOM 950 NE ARG A 62 16.136 2.045 4.397 1.00 0.00 N ATOM 951 CZ ARG A 62 17.020 2.915 4.902 1.00 0.00 C ATOM 952 NH1 ARG A 62 17.097 3.141 6.206 1.00 0.00 N ATOM 953 NH2 ARG A 62 17.823 3.572 4.086 1.00 0.00 N ATOM 0 H ARG A 62 11.722 -2.168 6.026 1.00 0.00 H new ATOM 0 HA ARG A 62 11.532 -0.560 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.789 0.019 5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.946 -1.263 5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.761 -0.071 3.517 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.587 1.202 3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.678 1.830 5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.790 0.483 5.769 1.00 0.00 H new ATOM 0 HE ARG A 62 16.095 1.955 3.382 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.475 2.648 6.847 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.778 3.808 6.569 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.767 3.415 3.080 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.499 4.237 4.462 1.00 0.00 H new ATOM 967 N ASP A 63 13.443 -3.150 3.165 1.00 0.00 N ATOM 968 CA ASP A 63 14.107 -3.969 2.133 1.00 0.00 C ATOM 969 C ASP A 63 13.192 -4.245 0.909 1.00 0.00 C ATOM 970 O ASP A 63 13.663 -4.268 -0.228 1.00 0.00 O ATOM 971 CB ASP A 63 14.558 -5.305 2.780 1.00 0.00 C ATOM 972 CG ASP A 63 15.392 -6.202 1.847 1.00 0.00 C ATOM 973 OD1 ASP A 63 16.584 -5.896 1.624 1.00 0.00 O ATOM 974 OD2 ASP A 63 14.875 -7.224 1.344 1.00 0.00 O ATOM 0 H ASP A 63 13.396 -3.613 4.072 1.00 0.00 H new ATOM 0 HA ASP A 63 14.966 -3.414 1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.142 -5.085 3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.675 -5.856 3.104 1.00 0.00 H new ATOM 979 N THR A 64 11.881 -4.414 1.151 1.00 0.00 N ATOM 980 CA THR A 64 10.903 -4.841 0.120 1.00 0.00 C ATOM 981 C THR A 64 9.672 -3.909 0.065 1.00 0.00 C ATOM 982 O THR A 64 8.720 -4.208 -0.657 1.00 0.00 O ATOM 983 CB THR A 64 10.420 -6.305 0.400 1.00 0.00 C ATOM 984 OG1 THR A 64 9.906 -6.388 1.736 1.00 0.00 O ATOM 985 CG2 THR A 64 11.540 -7.344 0.224 1.00 0.00 C ATOM 0 H THR A 64 11.462 -4.259 2.068 1.00 0.00 H new ATOM 0 HA THR A 64 11.415 -4.791 -0.841 1.00 0.00 H new ATOM 0 HB THR A 64 9.644 -6.535 -0.330 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.325 -7.173 1.815 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.148 -8.340 0.431 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.914 -7.306 -0.799 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.353 -7.123 0.916 1.00 0.00 H new ATOM 993 N ALA A 65 9.710 -2.776 0.802 1.00 0.00 N ATOM 994 CA ALA A 65 8.548 -1.864 0.965 1.00 0.00 C ATOM 995 C ALA A 65 8.073 -1.290 -0.375 1.00 0.00 C ATOM 996 O ALA A 65 6.882 -1.164 -0.623 1.00 0.00 O ATOM 997 CB ALA A 65 8.899 -0.724 1.937 1.00 0.00 C ATOM 0 H ALA A 65 10.544 -2.466 1.301 1.00 0.00 H new ATOM 0 HA ALA A 65 7.728 -2.452 1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.040 -0.063 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.163 -1.142 2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.744 -0.158 1.544 1.00 0.00 H new ATOM 1003 N PHE A 66 9.052 -0.949 -1.218 1.00 0.00 N ATOM 1004 CA PHE A 66 8.828 -0.348 -2.555 1.00 0.00 C ATOM 1005 C PHE A 66 8.181 -1.324 -3.560 1.00 0.00 C ATOM 1006 O PHE A 66 7.683 -0.894 -4.606 1.00 0.00 O ATOM 1007 CB PHE A 66 10.181 0.174 -3.101 1.00 0.00 C ATOM 1008 CG PHE A 66 10.976 0.957 -2.055 1.00 0.00 C ATOM 1009 CD1 PHE A 66 10.478 2.148 -1.534 1.00 0.00 C ATOM 1010 CD2 PHE A 66 12.190 0.475 -1.559 1.00 0.00 C ATOM 1011 CE1 PHE A 66 11.168 2.835 -0.564 1.00 0.00 C ATOM 1012 CE2 PHE A 66 12.877 1.165 -0.583 1.00 0.00 C ATOM 1013 CZ PHE A 66 12.369 2.345 -0.085 1.00 0.00 C ATOM 0 H PHE A 66 10.039 -1.081 -0.997 1.00 0.00 H new ATOM 0 HA PHE A 66 8.120 0.472 -2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.778 -0.669 -3.449 1.00 0.00 H new ATOM 0 HB3 PHE A 66 9.998 0.813 -3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.538 2.537 -1.896 1.00 0.00 H new ATOM 0 HD2 PHE A 66 12.595 -0.449 -1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 66 10.771 3.761 -0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.814 0.780 -0.208 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.908 2.886 0.678 1.00 0.00 H new ATOM 1023 N ASN A 67 8.145 -2.624 -3.209 1.00 0.00 N ATOM 1024 CA ASN A 67 7.508 -3.676 -4.032 1.00 0.00 C ATOM 1025 C ASN A 67 5.973 -3.706 -3.833 1.00 0.00 C ATOM 1026 O ASN A 67 5.289 -4.555 -4.414 1.00 0.00 O ATOM 1027 CB ASN A 67 8.116 -5.061 -3.691 1.00 0.00 C ATOM 1028 CG ASN A 67 9.619 -5.165 -3.976 1.00 0.00 C ATOM 1029 OD1 ASN A 67 10.155 -4.482 -4.851 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.303 -6.032 -3.245 1.00 0.00 N ATOM 0 H ASN A 67 8.557 -2.977 -2.345 1.00 0.00 H new ATOM 0 HA ASN A 67 7.703 -3.443 -5.079 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.940 -5.275 -2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.593 -5.828 -4.263 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.304 -6.150 -3.398 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.828 -6.582 -2.529 1.00 0.00 H new ATOM 1037 N PHE A 68 5.448 -2.733 -3.066 1.00 0.00 N ATOM 1038 CA PHE A 68 4.042 -2.690 -2.631 1.00 0.00 C ATOM 1039 C PHE A 68 3.069 -2.313 -3.756 1.00 0.00 C ATOM 1040 O PHE A 68 1.905 -2.669 -3.686 1.00 0.00 O ATOM 1041 CB PHE A 68 3.873 -1.654 -1.490 1.00 0.00 C ATOM 1042 CG PHE A 68 3.859 -0.181 -1.954 1.00 0.00 C ATOM 1043 CD1 PHE A 68 5.001 0.417 -2.498 1.00 0.00 C ATOM 1044 CD2 PHE A 68 2.689 0.583 -1.883 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.975 1.717 -2.953 1.00 0.00 C ATOM 1046 CE2 PHE A 68 2.668 1.888 -2.334 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.811 2.452 -2.869 1.00 0.00 C ATOM 0 H PHE A 68 5.998 -1.944 -2.727 1.00 0.00 H new ATOM 0 HA PHE A 68 3.800 -3.699 -2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.943 -1.863 -0.962 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.683 -1.787 -0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.918 -0.150 -2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.791 0.147 -1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.865 2.160 -3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.759 2.468 -2.269 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.792 3.472 -3.223 1.00 0.00 H new ATOM 1057 N ALA A 69 3.538 -1.554 -4.767 1.00 0.00 N ATOM 1058 CA ALA A 69 2.628 -0.864 -5.700 1.00 0.00 C ATOM 1059 C ALA A 69 2.045 -1.876 -6.687 1.00 0.00 C ATOM 1060 O ALA A 69 0.838 -1.909 -6.934 1.00 0.00 O ATOM 1061 CB ALA A 69 3.356 0.280 -6.414 1.00 0.00 C ATOM 0 H ALA A 69 4.529 -1.405 -4.956 1.00 0.00 H new ATOM 0 HA ALA A 69 1.803 -0.419 -5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.669 0.778 -7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.717 0.997 -5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.200 -0.120 -6.975 1.00 0.00 H new ATOM 1067 N SER A 70 2.945 -2.721 -7.201 1.00 0.00 N ATOM 1068 CA SER A 70 2.604 -3.819 -8.104 1.00 0.00 C ATOM 1069 C SER A 70 1.932 -4.965 -7.318 1.00 0.00 C ATOM 1070 O SER A 70 1.049 -5.646 -7.845 1.00 0.00 O ATOM 1071 CB SER A 70 3.875 -4.314 -8.823 1.00 0.00 C ATOM 1072 OG SER A 70 4.537 -3.250 -9.495 1.00 0.00 O ATOM 0 H SER A 70 3.943 -2.659 -6.997 1.00 0.00 H new ATOM 0 HA SER A 70 1.897 -3.464 -8.854 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.552 -4.766 -8.099 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.610 -5.091 -9.540 1.00 0.00 H new ATOM 0 HG SER A 70 5.340 -3.593 -9.940 1.00 0.00 H new ATOM 1078 N ASP A 71 2.357 -5.153 -6.046 1.00 0.00 N ATOM 1079 CA ASP A 71 1.869 -6.255 -5.191 1.00 0.00 C ATOM 1080 C ASP A 71 0.421 -6.006 -4.719 1.00 0.00 C ATOM 1081 O ASP A 71 -0.402 -6.887 -4.839 1.00 0.00 O ATOM 1082 CB ASP A 71 2.799 -6.486 -3.976 1.00 0.00 C ATOM 1083 CG ASP A 71 2.435 -7.757 -3.177 1.00 0.00 C ATOM 1084 OD1 ASP A 71 2.831 -8.870 -3.599 1.00 0.00 O ATOM 1085 OD2 ASP A 71 1.748 -7.661 -2.143 1.00 0.00 O ATOM 0 H ASP A 71 3.041 -4.550 -5.589 1.00 0.00 H new ATOM 0 HA ASP A 71 1.877 -7.158 -5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.830 -6.563 -4.322 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.748 -5.620 -3.316 1.00 0.00 H new ATOM 1090 N ALA A 72 0.148 -4.816 -4.141 1.00 0.00 N ATOM 1091 CA ALA A 72 -1.218 -4.373 -3.743 1.00 0.00 C ATOM 1092 C ALA A 72 -2.218 -4.459 -4.911 1.00 0.00 C ATOM 1093 O ALA A 72 -3.369 -4.875 -4.725 1.00 0.00 O ATOM 1094 CB ALA A 72 -1.179 -2.940 -3.178 1.00 0.00 C ATOM 0 H ALA A 72 0.870 -4.127 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.563 -5.054 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.185 -2.634 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.529 -2.911 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.794 -2.260 -3.938 1.00 0.00 H new ATOM 1100 N THR A 73 -1.764 -4.058 -6.113 1.00 0.00 N ATOM 1101 CA THR A 73 -2.558 -4.187 -7.347 1.00 0.00 C ATOM 1102 C THR A 73 -2.857 -5.680 -7.630 1.00 0.00 C ATOM 1103 O THR A 73 -4.005 -6.045 -7.869 1.00 0.00 O ATOM 1104 CB THR A 73 -1.823 -3.518 -8.562 1.00 0.00 C ATOM 1105 OG1 THR A 73 -1.614 -2.123 -8.279 1.00 0.00 O ATOM 1106 CG2 THR A 73 -2.603 -3.645 -9.887 1.00 0.00 C ATOM 0 H THR A 73 -0.845 -3.639 -6.255 1.00 0.00 H new ATOM 0 HA THR A 73 -3.504 -3.664 -7.209 1.00 0.00 H new ATOM 0 HB THR A 73 -0.877 -4.044 -8.690 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.763 -2.009 -7.806 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.042 -3.163 -10.687 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.744 -4.699 -10.127 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.575 -3.163 -9.784 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.802 -6.518 -7.560 1.00 0.00 N ATOM 1115 CA ARG A 74 -1.888 -7.998 -7.673 1.00 0.00 C ATOM 1116 C ARG A 74 -2.905 -8.589 -6.665 1.00 0.00 C ATOM 1117 O ARG A 74 -3.736 -9.414 -7.037 1.00 0.00 O ATOM 1118 CB ARG A 74 -0.473 -8.608 -7.443 1.00 0.00 C ATOM 1119 CG ARG A 74 -0.395 -10.150 -7.399 1.00 0.00 C ATOM 1120 CD ARG A 74 0.995 -10.653 -6.957 1.00 0.00 C ATOM 1121 NE ARG A 74 2.065 -10.226 -7.889 1.00 0.00 N ATOM 1122 CZ ARG A 74 3.279 -9.747 -7.542 1.00 0.00 C ATOM 1123 NH1 ARG A 74 3.593 -9.513 -6.273 1.00 0.00 N ATOM 1124 NH2 ARG A 74 4.171 -9.483 -8.483 1.00 0.00 N ATOM 0 H ARG A 74 -0.848 -6.185 -7.421 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.242 -8.252 -8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.186 -8.254 -8.236 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.080 -8.218 -6.504 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.152 -10.531 -6.713 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.628 -10.552 -8.385 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.215 -10.278 -5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.983 -11.741 -6.894 1.00 0.00 H new ATOM 0 HE ARG A 74 1.866 -10.301 -8.887 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.911 -9.695 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.516 -9.151 -6.034 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.940 -9.641 -9.464 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.090 -9.121 -8.228 1.00 0.00 H new ATOM 1138 N VAL A 75 -2.839 -8.109 -5.407 1.00 0.00 N ATOM 1139 CA VAL A 75 -3.680 -8.577 -4.278 1.00 0.00 C ATOM 1140 C VAL A 75 -5.163 -8.321 -4.580 1.00 0.00 C ATOM 1141 O VAL A 75 -6.023 -9.176 -4.324 1.00 0.00 O ATOM 1142 CB VAL A 75 -3.248 -7.860 -2.926 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -4.267 -8.063 -1.775 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -1.843 -8.334 -2.478 1.00 0.00 C ATOM 0 H VAL A 75 -2.188 -7.371 -5.138 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.533 -9.650 -4.154 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.222 -6.792 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.913 -7.549 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.234 -7.655 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.371 -9.127 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.568 -7.831 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.857 -9.412 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.114 -8.094 -3.252 1.00 0.00 H new ATOM 1154 N ALA A 76 -5.437 -7.148 -5.160 1.00 0.00 N ATOM 1155 CA ALA A 76 -6.784 -6.731 -5.544 1.00 0.00 C ATOM 1156 C ALA A 76 -7.291 -7.548 -6.752 1.00 0.00 C ATOM 1157 O ALA A 76 -8.458 -7.949 -6.799 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.765 -5.232 -5.865 1.00 0.00 C ATOM 0 H ALA A 76 -4.720 -6.456 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.470 -6.916 -4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.765 -4.909 -6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.443 -4.675 -4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.073 -5.044 -6.686 1.00 0.00 H new ATOM 1164 N GLN A 77 -6.389 -7.759 -7.736 1.00 0.00 N ATOM 1165 CA GLN A 77 -6.690 -8.487 -9.002 1.00 0.00 C ATOM 1166 C GLN A 77 -6.959 -9.975 -8.753 1.00 0.00 C ATOM 1167 O GLN A 77 -7.676 -10.613 -9.526 1.00 0.00 O ATOM 1168 CB GLN A 77 -5.548 -8.293 -10.033 1.00 0.00 C ATOM 1169 CG GLN A 77 -5.381 -6.844 -10.542 1.00 0.00 C ATOM 1170 CD GLN A 77 -4.121 -6.607 -11.386 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -4.106 -5.748 -12.268 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -3.048 -7.336 -11.107 1.00 0.00 N ATOM 0 H GLN A 77 -5.425 -7.430 -7.680 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.603 -8.059 -9.417 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.610 -8.616 -9.582 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.732 -8.945 -10.887 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.256 -6.578 -11.135 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.361 -6.171 -9.685 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.088 -8.041 -10.371 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.183 -7.191 -11.628 1.00 0.00 H new ATOM 1181 N LYS A 78 -6.384 -10.511 -7.667 1.00 0.00 N ATOM 1182 CA LYS A 78 -6.679 -11.873 -7.183 1.00 0.00 C ATOM 1183 C LYS A 78 -8.145 -11.990 -6.702 1.00 0.00 C ATOM 1184 O LYS A 78 -8.698 -13.092 -6.666 1.00 0.00 O ATOM 1185 CB LYS A 78 -5.687 -12.256 -6.048 1.00 0.00 C ATOM 1186 CG LYS A 78 -4.230 -12.470 -6.516 1.00 0.00 C ATOM 1187 CD LYS A 78 -3.208 -12.654 -5.356 1.00 0.00 C ATOM 1188 CE LYS A 78 -3.394 -13.954 -4.535 1.00 0.00 C ATOM 1189 NZ LYS A 78 -4.592 -13.934 -3.649 1.00 0.00 N ATOM 0 H LYS A 78 -5.700 -10.014 -7.097 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.552 -12.571 -8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.701 -11.472 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.039 -13.169 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.193 -13.348 -7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.926 -11.616 -7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.200 -12.643 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.284 -11.800 -4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.473 -14.798 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.505 -14.120 -3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.331 -14.284 -2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.950 -12.961 -3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.332 -14.543 -4.052 1.00 0.00 H new ATOM 1203 N HIS A 79 -8.767 -10.844 -6.346 1.00 0.00 N ATOM 1204 CA HIS A 79 -10.191 -10.778 -5.952 1.00 0.00 C ATOM 1205 C HIS A 79 -11.036 -10.120 -7.081 1.00 0.00 C ATOM 1206 O HIS A 79 -12.147 -9.634 -6.841 1.00 0.00 O ATOM 1207 CB HIS A 79 -10.346 -10.017 -4.595 1.00 0.00 C ATOM 1208 CG HIS A 79 -11.725 -10.128 -3.973 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -12.685 -9.142 -4.081 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -12.312 -11.138 -3.283 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -13.792 -9.538 -3.493 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -13.594 -10.742 -3.002 1.00 0.00 N ATOM 0 H HIS A 79 -8.296 -9.940 -6.324 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.567 -11.791 -5.807 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.610 -10.402 -3.889 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -10.115 -8.964 -4.754 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.855 -12.077 -3.007 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.709 -8.971 -3.425 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -14.285 -11.294 -2.493 1.00 0.00 H new ATOM 1221 N GLY A 80 -10.516 -10.121 -8.326 1.00 0.00 N ATOM 1222 CA GLY A 80 -11.319 -9.775 -9.502 1.00 0.00 C ATOM 1223 C GLY A 80 -11.397 -8.290 -9.760 1.00 0.00 C ATOM 1224 O GLY A 80 -12.448 -7.790 -10.147 1.00 0.00 O ATOM 0 H GLY A 80 -9.546 -10.358 -8.536 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.897 -10.267 -10.378 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.328 -10.167 -9.372 1.00 0.00 H new ATOM 1228 N LEU A 81 -10.268 -7.595 -9.553 1.00 0.00 N ATOM 1229 CA LEU A 81 -10.144 -6.141 -9.781 1.00 0.00 C ATOM 1230 C LEU A 81 -10.329 -5.817 -11.271 1.00 0.00 C ATOM 1231 O LEU A 81 -11.069 -4.895 -11.618 1.00 0.00 O ATOM 1232 CB LEU A 81 -8.737 -5.677 -9.289 1.00 0.00 C ATOM 1233 CG LEU A 81 -8.469 -4.162 -9.016 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -8.416 -3.310 -10.296 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -9.488 -3.631 -8.004 1.00 0.00 C ATOM 0 H LEU A 81 -9.406 -8.027 -9.220 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.918 -5.612 -9.225 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.521 -6.216 -8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.009 -6.007 -10.029 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.471 -4.076 -8.586 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.227 -2.269 -10.033 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.616 -3.672 -10.941 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.368 -3.384 -10.822 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.298 -2.574 -7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.495 -3.753 -8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.398 -4.187 -7.071 1.00 0.00 H new ATOM 1247 N HIS A 82 -9.632 -6.609 -12.118 1.00 0.00 N ATOM 1248 CA HIS A 82 -9.455 -6.363 -13.566 1.00 0.00 C ATOM 1249 C HIS A 82 -8.662 -5.051 -13.778 1.00 0.00 C ATOM 1250 O HIS A 82 -9.207 -3.979 -13.485 1.00 0.00 O ATOM 1251 CB HIS A 82 -10.797 -6.328 -14.352 1.00 0.00 C ATOM 1252 CG HIS A 82 -11.569 -7.615 -14.319 1.00 0.00 C ATOM 1253 ND1 HIS A 82 -11.645 -8.468 -15.390 1.00 0.00 N ATOM 1254 CD2 HIS A 82 -12.325 -8.181 -13.349 1.00 0.00 C ATOM 1255 CE1 HIS A 82 -12.413 -9.486 -15.086 1.00 0.00 C ATOM 1256 NE2 HIS A 82 -12.839 -9.337 -13.854 1.00 0.00 N ATOM 0 H HIS A 82 -9.165 -7.460 -11.804 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.893 -7.205 -13.969 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.422 -5.533 -13.945 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -10.589 -6.070 -15.390 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -12.490 -7.788 -12.357 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -12.655 -10.310 -15.741 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -13.454 -9.981 -13.356 1.00 0.00 H new ATOM 1265 N PRO A 83 -7.360 -5.132 -14.256 1.00 0.00 N ATOM 1266 CA PRO A 83 -6.461 -3.963 -14.477 1.00 0.00 C ATOM 1267 C PRO A 83 -7.191 -2.667 -14.926 1.00 0.00 C ATOM 1268 O PRO A 83 -7.596 -2.554 -16.091 1.00 0.00 O ATOM 1269 CB PRO A 83 -5.526 -4.493 -15.587 1.00 0.00 C ATOM 1270 CG PRO A 83 -5.347 -5.948 -15.264 1.00 0.00 C ATOM 1271 CD PRO A 83 -6.650 -6.402 -14.617 1.00 0.00 C ATOM 0 HA PRO A 83 -5.962 -3.650 -13.560 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.966 -4.357 -16.575 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.572 -3.966 -15.587 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.138 -6.524 -16.165 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.504 -6.096 -14.589 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.243 -7.006 -15.304 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.462 -7.014 -13.735 1.00 0.00 H new ATOM 1279 N LYS A 84 -7.382 -1.735 -13.954 1.00 0.00 N ATOM 1280 CA LYS A 84 -8.178 -0.496 -14.123 1.00 0.00 C ATOM 1281 C LYS A 84 -7.719 0.297 -15.364 1.00 0.00 C ATOM 1282 O LYS A 84 -8.488 0.488 -16.308 1.00 0.00 O ATOM 1283 CB LYS A 84 -8.067 0.392 -12.846 1.00 0.00 C ATOM 1284 CG LYS A 84 -8.808 1.754 -12.942 1.00 0.00 C ATOM 1285 CD LYS A 84 -8.368 2.763 -11.856 1.00 0.00 C ATOM 1286 CE LYS A 84 -8.957 4.163 -12.095 1.00 0.00 C ATOM 1287 NZ LYS A 84 -8.425 5.164 -11.148 1.00 0.00 N ATOM 0 H LYS A 84 -6.981 -1.827 -13.021 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.220 -0.781 -14.271 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.464 -0.164 -11.997 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.013 0.580 -12.640 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.631 2.188 -13.926 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.881 1.583 -12.857 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.681 2.401 -10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.280 2.826 -11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.737 4.478 -13.115 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.042 4.119 -12.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.851 6.092 -11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.657 4.879 -10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.392 5.227 -11.253 1.00 0.00 H new ATOM 1301 N PHE A 85 -6.467 0.777 -15.325 1.00 0.00 N ATOM 1302 CA PHE A 85 -5.811 1.391 -16.486 1.00 0.00 C ATOM 1303 C PHE A 85 -5.062 0.300 -17.274 1.00 0.00 C ATOM 1304 O PHE A 85 -5.046 0.306 -18.507 1.00 0.00 O ATOM 1305 CB PHE A 85 -4.841 2.519 -16.038 1.00 0.00 C ATOM 1306 CG PHE A 85 -4.325 3.369 -17.203 1.00 0.00 C ATOM 1307 CD1 PHE A 85 -5.107 4.395 -17.733 1.00 0.00 C ATOM 1308 CD2 PHE A 85 -3.089 3.119 -17.790 1.00 0.00 C ATOM 1309 CE1 PHE A 85 -4.665 5.145 -18.805 1.00 0.00 C ATOM 1310 CE2 PHE A 85 -2.652 3.864 -18.865 1.00 0.00 C ATOM 1311 CZ PHE A 85 -3.438 4.877 -19.373 1.00 0.00 C ATOM 0 H PHE A 85 -5.883 0.750 -14.489 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.564 1.845 -17.130 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.351 3.165 -15.323 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.993 2.074 -15.517 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.073 4.606 -17.298 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.463 2.331 -17.399 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.280 5.941 -19.198 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.691 3.653 -19.311 1.00 0.00 H new ATOM 0 HZ PHE A 85 -3.093 5.459 -20.214 1.00 0.00 H new ATOM 1321 N GLY A 86 -4.458 -0.639 -16.529 1.00 0.00 N ATOM 1322 CA GLY A 86 -3.697 -1.745 -17.104 1.00 0.00 C ATOM 1323 C GLY A 86 -2.210 -1.461 -17.092 1.00 0.00 C ATOM 1324 O GLY A 86 -1.515 -1.802 -16.121 1.00 0.00 O ATOM 0 H GLY A 86 -4.487 -0.647 -15.509 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.899 -2.657 -16.543 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.027 -1.921 -18.128 1.00 0.00 H new ATOM 1328 N ALA A 87 -1.725 -0.814 -18.161 1.00 0.00 N ATOM 1329 CA ALA A 87 -0.314 -0.438 -18.290 1.00 0.00 C ATOM 1330 C ALA A 87 -0.044 0.858 -17.506 1.00 0.00 C ATOM 1331 O ALA A 87 -0.163 1.964 -18.050 1.00 0.00 O ATOM 1332 CB ALA A 87 0.080 -0.292 -19.772 1.00 0.00 C ATOM 0 H ALA A 87 -2.300 -0.538 -18.957 1.00 0.00 H new ATOM 0 HA ALA A 87 0.304 -1.230 -17.866 1.00 0.00 H new ATOM 0 HB1 ALA A 87 1.131 -0.013 -19.843 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.079 -1.240 -20.286 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.533 0.480 -20.237 1.00 0.00 H new ATOM 1338 N ILE A 88 0.291 0.703 -16.206 1.00 0.00 N ATOM 1339 CA ILE A 88 0.634 1.832 -15.309 1.00 0.00 C ATOM 1340 C ILE A 88 1.899 2.580 -15.823 1.00 0.00 C ATOM 1341 O ILE A 88 2.119 3.754 -15.521 1.00 0.00 O ATOM 1342 CB ILE A 88 0.842 1.320 -13.824 1.00 0.00 C ATOM 1343 CG1 ILE A 88 0.994 2.518 -12.819 1.00 0.00 C ATOM 1344 CG2 ILE A 88 2.045 0.341 -13.729 1.00 0.00 C ATOM 1345 CD1 ILE A 88 1.162 2.126 -11.358 1.00 0.00 C ATOM 0 H ILE A 88 0.332 -0.207 -15.748 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.197 2.537 -15.311 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.053 0.768 -13.538 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.855 3.115 -13.119 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.116 3.158 -12.907 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.162 0.007 -12.698 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.864 -0.521 -14.371 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.954 0.849 -14.051 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.258 3.025 -10.749 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.291 1.558 -11.031 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.057 1.514 -11.246 1.00 0.00 H new ATOM 1357 N THR A 89 2.704 1.859 -16.631 1.00 0.00 N ATOM 1358 CA THR A 89 3.911 2.379 -17.291 1.00 0.00 C ATOM 1359 C THR A 89 3.598 3.480 -18.334 1.00 0.00 C ATOM 1360 O THR A 89 4.477 4.285 -18.662 1.00 0.00 O ATOM 1361 CB THR A 89 4.700 1.202 -17.947 1.00 0.00 C ATOM 1362 OG1 THR A 89 3.797 0.415 -18.745 1.00 0.00 O ATOM 1363 CG2 THR A 89 5.367 0.300 -16.888 1.00 0.00 C ATOM 0 H THR A 89 2.525 0.878 -16.845 1.00 0.00 H new ATOM 0 HA THR A 89 4.526 2.850 -16.524 1.00 0.00 H new ATOM 0 HB THR A 89 5.488 1.627 -18.568 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.288 -0.325 -19.161 1.00 0.00 H new ATOM 0 HG21 THR A 89 5.906 -0.507 -17.385 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.065 0.891 -16.294 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.602 -0.122 -16.236 1.00 0.00 H new ATOM 1371 N ARG A 90 2.352 3.504 -18.850 1.00 0.00 N ATOM 1372 CA ARG A 90 1.879 4.567 -19.758 1.00 0.00 C ATOM 1373 C ARG A 90 1.561 5.844 -18.944 1.00 0.00 C ATOM 1374 O ARG A 90 2.366 6.784 -18.906 1.00 0.00 O ATOM 1375 CB ARG A 90 0.633 4.094 -20.564 1.00 0.00 C ATOM 1376 CG ARG A 90 0.902 2.998 -21.615 1.00 0.00 C ATOM 1377 CD ARG A 90 1.818 3.485 -22.751 1.00 0.00 C ATOM 1378 NE ARG A 90 1.288 4.683 -23.432 1.00 0.00 N ATOM 1379 CZ ARG A 90 1.856 5.289 -24.487 1.00 0.00 C ATOM 1380 NH1 ARG A 90 2.946 4.791 -25.062 1.00 0.00 N ATOM 1381 NH2 ARG A 90 1.318 6.387 -24.977 1.00 0.00 N ATOM 0 H ARG A 90 1.650 2.792 -18.650 1.00 0.00 H new ATOM 0 HA ARG A 90 2.667 4.796 -20.476 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.114 3.724 -19.862 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.198 4.957 -21.067 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.359 2.136 -21.128 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.046 2.661 -22.035 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.805 3.708 -22.347 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.945 2.684 -23.479 1.00 0.00 H new ATOM 0 HE ARG A 90 0.421 5.082 -23.072 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.366 3.934 -24.703 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.363 5.266 -25.863 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.474 6.773 -24.555 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.746 6.851 -25.778 1.00 0.00 H new ATOM 1395 N VAL A 91 0.392 5.853 -18.283 1.00 0.00 N ATOM 1396 CA VAL A 91 -0.080 6.988 -17.462 1.00 0.00 C ATOM 1397 C VAL A 91 -0.231 6.502 -16.010 1.00 0.00 C ATOM 1398 O VAL A 91 -0.540 5.322 -15.785 1.00 0.00 O ATOM 1399 CB VAL A 91 -1.444 7.577 -18.006 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -1.920 8.805 -17.192 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -1.349 7.926 -19.517 1.00 0.00 C ATOM 0 H VAL A 91 -0.260 5.068 -18.301 1.00 0.00 H new ATOM 0 HA VAL A 91 0.649 7.797 -17.513 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.191 6.794 -17.881 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.860 9.173 -17.604 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.068 8.516 -16.151 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.167 9.592 -17.247 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.303 8.328 -19.858 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.566 8.669 -19.670 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.111 7.026 -20.084 1.00 0.00 H new ATOM 1411 N HIS A 92 -0.031 7.431 -15.048 1.00 0.00 N ATOM 1412 CA HIS A 92 0.089 7.132 -13.605 1.00 0.00 C ATOM 1413 C HIS A 92 1.391 6.379 -13.323 1.00 0.00 C ATOM 1414 O HIS A 92 1.498 5.614 -12.361 1.00 0.00 O ATOM 1415 CB HIS A 92 -1.164 6.406 -13.027 1.00 0.00 C ATOM 1416 CG HIS A 92 -2.388 7.280 -12.997 1.00 0.00 C ATOM 1417 ND1 HIS A 92 -3.604 6.915 -13.530 1.00 0.00 N ATOM 1418 CD2 HIS A 92 -2.566 8.520 -12.486 1.00 0.00 C ATOM 1419 CE1 HIS A 92 -4.469 7.894 -13.345 1.00 0.00 C ATOM 1420 NE2 HIS A 92 -3.864 8.875 -12.717 1.00 0.00 N ATOM 0 H HIS A 92 0.053 8.426 -15.257 1.00 0.00 H new ATOM 0 HA HIS A 92 0.132 8.083 -13.075 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -1.372 5.519 -13.626 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -0.944 6.063 -12.016 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -1.819 9.119 -11.987 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.503 7.889 -13.658 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.294 9.759 -12.446 1.00 0.00 H new ATOM 1429 N LYS A 93 2.426 6.729 -14.119 1.00 0.00 N ATOM 1430 CA LYS A 93 3.808 6.224 -13.987 1.00 0.00 C ATOM 1431 C LYS A 93 4.562 7.059 -12.908 1.00 0.00 C ATOM 1432 O LYS A 93 5.760 7.323 -12.999 1.00 0.00 O ATOM 1433 CB LYS A 93 4.473 6.283 -15.404 1.00 0.00 C ATOM 1434 CG LYS A 93 5.902 5.694 -15.528 1.00 0.00 C ATOM 1435 CD LYS A 93 6.029 4.252 -14.978 1.00 0.00 C ATOM 1436 CE LYS A 93 7.387 3.615 -15.315 1.00 0.00 C ATOM 1437 NZ LYS A 93 8.525 4.353 -14.713 1.00 0.00 N ATOM 0 H LYS A 93 2.319 7.388 -14.890 1.00 0.00 H new ATOM 0 HA LYS A 93 3.839 5.189 -13.646 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.826 5.757 -16.106 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.506 7.325 -15.721 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.199 5.701 -16.577 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.600 6.340 -14.995 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.895 4.265 -13.896 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.229 3.637 -15.391 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.399 2.584 -14.962 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.511 3.582 -16.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.417 3.884 -14.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.532 5.330 -15.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.424 4.363 -13.678 1.00 0.00 H new ATOM 1451 N GLU A 94 3.824 7.404 -11.835 1.00 0.00 N ATOM 1452 CA GLU A 94 4.313 8.150 -10.667 1.00 0.00 C ATOM 1453 C GLU A 94 4.725 7.149 -9.565 1.00 0.00 C ATOM 1454 O GLU A 94 4.660 7.445 -8.365 1.00 0.00 O ATOM 1455 CB GLU A 94 3.178 9.099 -10.191 1.00 0.00 C ATOM 1456 CG GLU A 94 2.656 10.050 -11.297 1.00 0.00 C ATOM 1457 CD GLU A 94 1.400 10.834 -10.885 1.00 0.00 C ATOM 1458 OE1 GLU A 94 0.270 10.321 -11.085 1.00 0.00 O ATOM 1459 OE2 GLU A 94 1.529 11.958 -10.357 1.00 0.00 O ATOM 0 H GLU A 94 2.836 7.161 -11.758 1.00 0.00 H new ATOM 0 HA GLU A 94 5.189 8.750 -10.914 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.348 8.499 -9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.542 9.695 -9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.444 10.755 -11.562 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.435 9.468 -12.192 1.00 0.00 H new ATOM 1466 N TYR A 95 5.158 5.952 -10.015 1.00 0.00 N ATOM 1467 CA TYR A 95 5.745 4.907 -9.167 1.00 0.00 C ATOM 1468 C TYR A 95 7.014 5.440 -8.484 1.00 0.00 C ATOM 1469 O TYR A 95 7.312 5.071 -7.358 1.00 0.00 O ATOM 1470 CB TYR A 95 6.070 3.660 -10.041 1.00 0.00 C ATOM 1471 CG TYR A 95 6.709 2.476 -9.285 1.00 0.00 C ATOM 1472 CD1 TYR A 95 8.097 2.395 -9.088 1.00 0.00 C ATOM 1473 CD2 TYR A 95 5.930 1.444 -8.773 1.00 0.00 C ATOM 1474 CE1 TYR A 95 8.667 1.340 -8.409 1.00 0.00 C ATOM 1475 CE2 TYR A 95 6.500 0.390 -8.096 1.00 0.00 C ATOM 1476 CZ TYR A 95 7.865 0.343 -7.917 1.00 0.00 C ATOM 1477 OH TYR A 95 8.427 -0.718 -7.241 1.00 0.00 O ATOM 0 H TYR A 95 5.106 5.685 -10.998 1.00 0.00 H new ATOM 0 HA TYR A 95 5.036 4.619 -8.391 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.149 3.316 -10.511 1.00 0.00 H new ATOM 0 HB3 TYR A 95 6.743 3.964 -10.843 1.00 0.00 H new ATOM 0 HD1 TYR A 95 8.732 3.177 -9.477 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.859 1.470 -8.909 1.00 0.00 H new ATOM 0 HE1 TYR A 95 9.737 1.299 -8.266 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.877 -0.401 -7.705 1.00 0.00 H new ATOM 0 HH TYR A 95 8.235 -0.635 -6.284 1.00 0.00 H new ATOM 1487 N ASP A 96 7.738 6.306 -9.209 1.00 0.00 N ATOM 1488 CA ASP A 96 8.949 6.987 -8.714 1.00 0.00 C ATOM 1489 C ASP A 96 8.612 7.915 -7.535 1.00 0.00 C ATOM 1490 O ASP A 96 9.413 8.062 -6.607 1.00 0.00 O ATOM 1491 CB ASP A 96 9.632 7.787 -9.857 1.00 0.00 C ATOM 1492 CG ASP A 96 8.691 8.797 -10.538 1.00 0.00 C ATOM 1493 OD1 ASP A 96 7.928 8.383 -11.432 1.00 0.00 O ATOM 1494 OD2 ASP A 96 8.691 9.992 -10.170 1.00 0.00 O ATOM 0 H ASP A 96 7.498 6.558 -10.168 1.00 0.00 H new ATOM 0 HA ASP A 96 9.645 6.226 -8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.494 8.318 -9.454 1.00 0.00 H new ATOM 0 HB3 ASP A 96 10.008 7.089 -10.605 1.00 0.00 H new ATOM 1499 N ALA A 97 7.415 8.529 -7.589 1.00 0.00 N ATOM 1500 CA ALA A 97 6.928 9.432 -6.543 1.00 0.00 C ATOM 1501 C ALA A 97 6.593 8.643 -5.265 1.00 0.00 C ATOM 1502 O ALA A 97 7.024 9.017 -4.184 1.00 0.00 O ATOM 1503 CB ALA A 97 5.710 10.226 -7.052 1.00 0.00 C ATOM 0 H ALA A 97 6.761 8.409 -8.363 1.00 0.00 H new ATOM 0 HA ALA A 97 7.714 10.145 -6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.357 10.894 -6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.997 10.813 -7.925 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.913 9.534 -7.326 1.00 0.00 H new ATOM 1509 N MET A 98 5.816 7.549 -5.413 1.00 0.00 N ATOM 1510 CA MET A 98 5.477 6.620 -4.298 1.00 0.00 C ATOM 1511 C MET A 98 6.723 5.948 -3.671 1.00 0.00 C ATOM 1512 O MET A 98 6.800 5.776 -2.448 1.00 0.00 O ATOM 1513 CB MET A 98 4.488 5.539 -4.800 1.00 0.00 C ATOM 1514 CG MET A 98 3.076 6.050 -5.105 1.00 0.00 C ATOM 1515 SD MET A 98 2.330 6.944 -3.716 1.00 0.00 S ATOM 1516 CE MET A 98 2.389 5.759 -2.359 1.00 0.00 C ATOM 0 H MET A 98 5.403 7.279 -6.306 1.00 0.00 H new ATOM 0 HA MET A 98 5.014 7.218 -3.513 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.897 5.084 -5.702 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.420 4.752 -4.049 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.113 6.707 -5.974 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.440 5.206 -5.370 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.863 6.167 -1.496 1.00 0.00 H new ATOM 0 HE2 MET A 98 1.913 4.828 -2.668 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.427 5.564 -2.091 1.00 0.00 H new ATOM 1526 N PHE A 99 7.638 5.516 -4.551 1.00 0.00 N ATOM 1527 CA PHE A 99 8.982 5.016 -4.171 1.00 0.00 C ATOM 1528 C PHE A 99 9.661 6.018 -3.218 1.00 0.00 C ATOM 1529 O PHE A 99 10.176 5.638 -2.164 1.00 0.00 O ATOM 1530 CB PHE A 99 9.867 4.780 -5.437 1.00 0.00 C ATOM 1531 CG PHE A 99 11.270 4.193 -5.161 1.00 0.00 C ATOM 1532 CD1 PHE A 99 12.347 5.013 -4.790 1.00 0.00 C ATOM 1533 CD2 PHE A 99 11.509 2.819 -5.261 1.00 0.00 C ATOM 1534 CE1 PHE A 99 13.599 4.484 -4.538 1.00 0.00 C ATOM 1535 CE2 PHE A 99 12.770 2.292 -5.009 1.00 0.00 C ATOM 1536 CZ PHE A 99 13.810 3.125 -4.643 1.00 0.00 C ATOM 0 H PHE A 99 7.472 5.501 -5.557 1.00 0.00 H new ATOM 0 HA PHE A 99 8.866 4.060 -3.659 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.336 4.108 -6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.985 5.729 -5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 99 12.195 6.078 -4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 99 10.702 2.157 -5.538 1.00 0.00 H new ATOM 0 HE1 PHE A 99 14.413 5.136 -4.258 1.00 0.00 H new ATOM 0 HE2 PHE A 99 12.938 1.229 -5.099 1.00 0.00 H new ATOM 0 HZ PHE A 99 14.787 2.712 -4.439 1.00 0.00 H new ATOM 1546 N GLU A 100 9.595 7.310 -3.595 1.00 0.00 N ATOM 1547 CA GLU A 100 10.237 8.401 -2.848 1.00 0.00 C ATOM 1548 C GLU A 100 9.418 8.841 -1.623 1.00 0.00 C ATOM 1549 O GLU A 100 9.982 9.371 -0.667 1.00 0.00 O ATOM 1550 CB GLU A 100 10.611 9.593 -3.760 1.00 0.00 C ATOM 1551 CG GLU A 100 11.816 9.302 -4.709 1.00 0.00 C ATOM 1552 CD GLU A 100 12.818 10.467 -4.786 1.00 0.00 C ATOM 1553 OE1 GLU A 100 13.573 10.662 -3.810 1.00 0.00 O ATOM 1554 OE2 GLU A 100 12.837 11.202 -5.795 1.00 0.00 O ATOM 0 H GLU A 100 9.094 7.623 -4.427 1.00 0.00 H new ATOM 0 HA GLU A 100 11.172 7.997 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.744 9.865 -4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.850 10.455 -3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.334 8.407 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.440 9.087 -5.709 1.00 0.00 H new ATOM 1561 N ASP A 101 8.103 8.625 -1.674 1.00 0.00 N ATOM 1562 CA ASP A 101 7.174 8.948 -0.579 1.00 0.00 C ATOM 1563 C ASP A 101 7.452 8.040 0.638 1.00 0.00 C ATOM 1564 O ASP A 101 7.737 8.522 1.743 1.00 0.00 O ATOM 1565 CB ASP A 101 5.714 8.784 -1.089 1.00 0.00 C ATOM 1566 CG ASP A 101 4.646 8.993 -0.007 1.00 0.00 C ATOM 1567 OD1 ASP A 101 4.449 10.150 0.430 1.00 0.00 O ATOM 1568 OD2 ASP A 101 3.997 8.009 0.408 1.00 0.00 O ATOM 0 H ASP A 101 7.642 8.215 -2.486 1.00 0.00 H new ATOM 0 HA ASP A 101 7.318 9.980 -0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.541 9.494 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.598 7.786 -1.511 1.00 0.00 H new ATOM 1573 N ILE A 102 7.345 6.719 0.407 1.00 0.00 N ATOM 1574 CA ILE A 102 7.662 5.690 1.414 1.00 0.00 C ATOM 1575 C ILE A 102 9.144 5.754 1.886 1.00 0.00 C ATOM 1576 O ILE A 102 9.390 5.639 3.076 1.00 0.00 O ATOM 1577 CB ILE A 102 7.261 4.249 0.892 1.00 0.00 C ATOM 1578 CG1 ILE A 102 5.697 4.147 0.797 1.00 0.00 C ATOM 1579 CG2 ILE A 102 7.849 3.101 1.761 1.00 0.00 C ATOM 1580 CD1 ILE A 102 5.145 2.762 0.509 1.00 0.00 C ATOM 0 H ILE A 102 7.036 6.334 -0.485 1.00 0.00 H new ATOM 0 HA ILE A 102 7.060 5.902 2.297 1.00 0.00 H new ATOM 0 HB ILE A 102 7.698 4.122 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.270 4.500 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.354 4.825 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.539 2.140 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.937 3.163 1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.484 3.195 2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.057 2.806 0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.533 2.407 -0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.448 2.077 1.301 1.00 0.00 H new ATOM 1592 N ARG A 103 10.109 5.978 0.958 1.00 0.00 N ATOM 1593 CA ARG A 103 11.556 6.055 1.326 1.00 0.00 C ATOM 1594 C ARG A 103 11.813 7.272 2.243 1.00 0.00 C ATOM 1595 O ARG A 103 12.714 7.249 3.090 1.00 0.00 O ATOM 1596 CB ARG A 103 12.502 6.031 0.079 1.00 0.00 C ATOM 1597 CG ARG A 103 12.688 7.353 -0.701 1.00 0.00 C ATOM 1598 CD ARG A 103 13.835 8.227 -0.191 1.00 0.00 C ATOM 1599 NE ARG A 103 13.942 9.496 -0.925 1.00 0.00 N ATOM 1600 CZ ARG A 103 14.752 10.504 -0.585 1.00 0.00 C ATOM 1601 NH1 ARG A 103 15.602 10.385 0.432 1.00 0.00 N ATOM 1602 NH2 ARG A 103 14.724 11.628 -1.276 1.00 0.00 N ATOM 0 H ARG A 103 9.921 6.107 -0.036 1.00 0.00 H new ATOM 0 HA ARG A 103 11.803 5.154 1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.485 5.694 0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.124 5.281 -0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.863 7.120 -1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.761 7.924 -0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.686 8.435 0.869 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.773 7.679 -0.280 1.00 0.00 H new ATOM 0 HE ARG A 103 13.357 9.616 -1.752 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.642 9.516 0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.214 11.163 0.679 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.086 11.725 -2.066 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.340 12.399 -1.020 1.00 0.00 H new ATOM 1616 N ALA A 104 10.997 8.329 2.053 1.00 0.00 N ATOM 1617 CA ALA A 104 11.095 9.576 2.823 1.00 0.00 C ATOM 1618 C ALA A 104 10.620 9.349 4.264 1.00 0.00 C ATOM 1619 O ALA A 104 11.259 9.786 5.212 1.00 0.00 O ATOM 1620 CB ALA A 104 10.269 10.686 2.163 1.00 0.00 C ATOM 0 H ALA A 104 10.251 8.337 1.358 1.00 0.00 H new ATOM 0 HA ALA A 104 12.139 9.887 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.355 11.601 2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.640 10.865 1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.223 10.382 2.116 1.00 0.00 H new ATOM 1626 N LYS A 105 9.465 8.692 4.413 1.00 0.00 N ATOM 1627 CA LYS A 105 8.899 8.351 5.732 1.00 0.00 C ATOM 1628 C LYS A 105 9.737 7.253 6.457 1.00 0.00 C ATOM 1629 O LYS A 105 9.782 7.212 7.687 1.00 0.00 O ATOM 1630 CB LYS A 105 7.402 7.931 5.546 1.00 0.00 C ATOM 1631 CG LYS A 105 6.417 8.586 6.541 1.00 0.00 C ATOM 1632 CD LYS A 105 6.670 8.171 8.002 1.00 0.00 C ATOM 1633 CE LYS A 105 5.780 8.923 8.991 1.00 0.00 C ATOM 1634 NZ LYS A 105 4.341 8.832 8.634 1.00 0.00 N ATOM 0 H LYS A 105 8.894 8.380 3.628 1.00 0.00 H new ATOM 0 HA LYS A 105 8.941 9.227 6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.092 8.182 4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.328 6.848 5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.494 9.670 6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.398 8.317 6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.498 7.100 8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.716 8.351 8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.930 8.519 9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.079 9.971 9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.765 9.191 9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.158 9.401 7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.092 7.840 8.447 1.00 0.00 H new ATOM 1648 N LEU A 106 10.367 6.362 5.675 1.00 0.00 N ATOM 1649 CA LEU A 106 11.332 5.345 6.185 1.00 0.00 C ATOM 1650 C LEU A 106 12.595 6.009 6.802 1.00 0.00 C ATOM 1651 O LEU A 106 13.282 5.406 7.629 1.00 0.00 O ATOM 1652 CB LEU A 106 11.728 4.352 5.030 1.00 0.00 C ATOM 1653 CG LEU A 106 10.885 3.032 4.874 1.00 0.00 C ATOM 1654 CD1 LEU A 106 9.388 3.251 5.142 1.00 0.00 C ATOM 1655 CD2 LEU A 106 11.102 2.397 3.477 1.00 0.00 C ATOM 0 H LEU A 106 10.228 6.317 4.665 1.00 0.00 H new ATOM 0 HA LEU A 106 10.843 4.784 6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.674 4.897 4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.770 4.068 5.175 1.00 0.00 H new ATOM 0 HG LEU A 106 11.247 2.340 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.855 2.308 5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.250 3.617 6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.995 3.983 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.508 1.486 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.794 3.102 2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.157 2.155 3.347 1.00 0.00 H new ATOM 1667 N HIS A 107 12.875 7.250 6.363 1.00 0.00 N ATOM 1668 CA HIS A 107 13.939 8.122 6.923 1.00 0.00 C ATOM 1669 C HIS A 107 13.533 8.663 8.327 1.00 0.00 C ATOM 1670 O HIS A 107 14.374 9.197 9.061 1.00 0.00 O ATOM 1671 CB HIS A 107 14.242 9.268 5.918 1.00 0.00 C ATOM 1672 CG HIS A 107 15.282 10.280 6.348 1.00 0.00 C ATOM 1673 ND1 HIS A 107 16.640 10.024 6.338 1.00 0.00 N ATOM 1674 CD2 HIS A 107 15.153 11.568 6.762 1.00 0.00 C ATOM 1675 CE1 HIS A 107 17.294 11.104 6.724 1.00 0.00 C ATOM 1676 NE2 HIS A 107 16.416 12.051 6.990 1.00 0.00 N ATOM 0 H HIS A 107 12.363 7.688 5.597 1.00 0.00 H new ATOM 0 HA HIS A 107 14.851 7.542 7.066 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.567 8.822 4.978 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.312 9.799 5.714 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.228 12.110 6.888 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.367 11.196 6.808 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.640 12.992 7.313 1.00 0.00 H new ATOM 1685 N ALA A 108 12.217 8.535 8.648 1.00 0.00 N ATOM 1686 CA ALA A 108 11.570 8.948 9.930 1.00 0.00 C ATOM 1687 C ALA A 108 11.291 10.463 9.989 1.00 0.00 C ATOM 1688 O ALA A 108 10.832 10.988 11.011 1.00 0.00 O ATOM 1689 CB ALA A 108 12.342 8.446 11.169 1.00 0.00 C ATOM 0 H ALA A 108 11.548 8.125 7.996 1.00 0.00 H new ATOM 0 HA ALA A 108 10.598 8.455 9.952 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.830 8.773 12.074 1.00 0.00 H new ATOM 0 HB2 ALA A 108 12.389 7.357 11.152 1.00 0.00 H new ATOM 0 HB3 ALA A 108 13.353 8.853 11.157 1.00 0.00 H new ATOM 1695 N HIS A 109 11.551 11.139 8.865 1.00 0.00 N ATOM 1696 CA HIS A 109 11.225 12.556 8.622 1.00 0.00 C ATOM 1697 C HIS A 109 11.007 12.708 7.111 1.00 0.00 C ATOM 1698 O HIS A 109 11.835 12.201 6.348 1.00 0.00 O ATOM 1699 CB HIS A 109 12.351 13.511 9.113 1.00 0.00 C ATOM 1700 CG HIS A 109 12.391 13.728 10.603 1.00 0.00 C ATOM 1701 ND1 HIS A 109 13.397 13.252 11.417 1.00 0.00 N ATOM 1702 CD2 HIS A 109 11.537 14.389 11.422 1.00 0.00 C ATOM 1703 CE1 HIS A 109 13.158 13.610 12.662 1.00 0.00 C ATOM 1704 NE2 HIS A 109 12.038 14.300 12.691 1.00 0.00 N ATOM 0 H HIS A 109 12.012 10.701 8.067 1.00 0.00 H new ATOM 0 HA HIS A 109 10.332 12.832 9.183 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.313 13.111 8.792 1.00 0.00 H new ATOM 0 HB3 HIS A 109 12.228 14.477 8.623 1.00 0.00 H new ATOM 0 HD2 HIS A 109 10.629 14.893 11.127 1.00 0.00 H new ATOM 0 HE1 HIS A 109 13.777 13.376 13.515 1.00 0.00 H new ATOM 0 HE2 HIS A 109 11.612 14.703 13.526 1.00 0.00 H new ATOM 1713 N PRO A 110 9.917 13.415 6.648 1.00 0.00 N ATOM 1714 CA PRO A 110 9.508 13.409 5.222 1.00 0.00 C ATOM 1715 C PRO A 110 10.520 14.152 4.311 1.00 0.00 C ATOM 1716 O PRO A 110 10.373 15.348 4.026 1.00 0.00 O ATOM 1717 CB PRO A 110 8.112 14.090 5.254 1.00 0.00 C ATOM 1718 CG PRO A 110 8.174 15.016 6.430 1.00 0.00 C ATOM 1719 CD PRO A 110 9.035 14.306 7.462 1.00 0.00 C ATOM 0 HA PRO A 110 9.476 12.407 4.793 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.914 14.634 4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.315 13.356 5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.608 15.976 6.151 1.00 0.00 H new ATOM 0 HG3 PRO A 110 7.178 15.219 6.823 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.618 15.014 8.051 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.427 13.733 8.163 1.00 0.00 H new ATOM 1727 N GLY A 111 11.571 13.423 3.892 1.00 0.00 N ATOM 1728 CA GLY A 111 12.564 13.931 2.946 1.00 0.00 C ATOM 1729 C GLY A 111 12.131 13.657 1.517 1.00 0.00 C ATOM 1730 O GLY A 111 12.852 13.023 0.740 1.00 0.00 O ATOM 0 H GLY A 111 11.749 12.468 4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 111 12.698 15.003 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 111 13.529 13.461 3.136 1.00 0.00 H new ATOM 1734 N GLU A 112 10.914 14.119 1.196 1.00 0.00 N ATOM 1735 CA GLU A 112 10.249 13.870 -0.085 1.00 0.00 C ATOM 1736 C GLU A 112 10.562 15.025 -1.062 1.00 0.00 C ATOM 1737 O GLU A 112 10.675 16.180 -0.625 1.00 0.00 O ATOM 1738 CB GLU A 112 8.716 13.717 0.153 1.00 0.00 C ATOM 1739 CG GLU A 112 8.044 14.926 0.839 1.00 0.00 C ATOM 1740 CD GLU A 112 6.575 14.668 1.208 1.00 0.00 C ATOM 1741 OE1 GLU A 112 5.692 14.828 0.340 1.00 0.00 O ATOM 1742 OE2 GLU A 112 6.297 14.291 2.362 1.00 0.00 O ATOM 0 H GLU A 112 10.356 14.687 1.834 1.00 0.00 H new ATOM 0 HA GLU A 112 10.617 12.946 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.229 13.545 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.544 12.829 0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 112 8.600 15.180 1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.100 15.790 0.177 1.00 0.00 H new ATOM 1749 N PRO A 113 10.739 14.733 -2.389 1.00 0.00 N ATOM 1750 CA PRO A 113 11.039 15.764 -3.409 1.00 0.00 C ATOM 1751 C PRO A 113 9.830 16.692 -3.675 1.00 0.00 C ATOM 1752 O PRO A 113 8.694 16.220 -3.848 1.00 0.00 O ATOM 1753 CB PRO A 113 11.401 14.923 -4.665 1.00 0.00 C ATOM 1754 CG PRO A 113 10.634 13.649 -4.483 1.00 0.00 C ATOM 1755 CD PRO A 113 10.674 13.375 -2.997 1.00 0.00 C ATOM 0 HA PRO A 113 11.836 16.440 -3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 113 11.113 15.434 -5.584 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.473 14.738 -4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.608 13.752 -4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 113 11.086 12.833 -5.047 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.790 12.830 -2.666 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.540 12.772 -2.724 1.00 0.00 H new ATOM 1763 N VAL A 114 10.088 18.011 -3.682 1.00 0.00 N ATOM 1764 CA VAL A 114 9.081 19.016 -4.043 1.00 0.00 C ATOM 1765 C VAL A 114 8.942 19.011 -5.590 1.00 0.00 C ATOM 1766 O VAL A 114 9.932 19.178 -6.319 1.00 0.00 O ATOM 1767 CB VAL A 114 9.453 20.443 -3.456 1.00 0.00 C ATOM 1768 CG1 VAL A 114 10.697 21.085 -4.126 1.00 0.00 C ATOM 1769 CG2 VAL A 114 8.238 21.394 -3.477 1.00 0.00 C ATOM 0 H VAL A 114 10.996 18.406 -3.439 1.00 0.00 H new ATOM 0 HA VAL A 114 8.115 18.771 -3.601 1.00 0.00 H new ATOM 0 HB VAL A 114 9.734 20.276 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 114 10.892 22.058 -3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 114 11.562 20.438 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 114 10.512 21.210 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 114 8.527 22.362 -3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 114 7.893 21.521 -4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 114 7.434 20.971 -2.874 1.00 0.00 H new ATOM 1779 N ASP A 115 7.722 18.757 -6.091 1.00 0.00 N ATOM 1780 CA ASP A 115 7.494 18.466 -7.524 1.00 0.00 C ATOM 1781 C ASP A 115 7.586 19.731 -8.389 1.00 0.00 C ATOM 1782 O ASP A 115 7.855 19.625 -9.581 1.00 0.00 O ATOM 1783 CB ASP A 115 6.134 17.757 -7.738 1.00 0.00 C ATOM 1784 CG ASP A 115 5.840 17.420 -9.220 1.00 0.00 C ATOM 1785 OD1 ASP A 115 6.588 16.619 -9.819 1.00 0.00 O ATOM 1786 OD2 ASP A 115 4.862 17.950 -9.786 1.00 0.00 O ATOM 0 H ASP A 115 6.873 18.746 -5.526 1.00 0.00 H new ATOM 0 HA ASP A 115 8.289 17.792 -7.843 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.117 16.837 -7.154 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.337 18.393 -7.353 1.00 0.00 H new ATOM 1791 N LEU A 116 7.405 20.930 -7.783 1.00 0.00 N ATOM 1792 CA LEU A 116 7.473 22.215 -8.528 1.00 0.00 C ATOM 1793 C LEU A 116 8.854 22.403 -9.200 1.00 0.00 C ATOM 1794 O LEU A 116 8.972 23.074 -10.231 1.00 0.00 O ATOM 1795 CB LEU A 116 7.081 23.429 -7.613 1.00 0.00 C ATOM 1796 CG LEU A 116 7.905 23.685 -6.289 1.00 0.00 C ATOM 1797 CD1 LEU A 116 9.289 24.338 -6.534 1.00 0.00 C ATOM 1798 CD2 LEU A 116 7.081 24.523 -5.275 1.00 0.00 C ATOM 0 H LEU A 116 7.212 21.036 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 116 6.736 22.177 -9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.143 24.332 -8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 116 6.035 23.305 -7.332 1.00 0.00 H new ATOM 0 HG LEU A 116 8.101 22.700 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 116 9.797 24.483 -5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 116 9.890 23.688 -7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 116 9.155 25.302 -7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.671 24.685 -4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.827 25.485 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.166 23.988 -5.019 1.00 0.00 H new ATOM 1810 N GLU A 117 9.881 21.762 -8.598 1.00 0.00 N ATOM 1811 CA GLU A 117 11.265 21.767 -9.096 1.00 0.00 C ATOM 1812 C GLU A 117 11.356 21.070 -10.469 1.00 0.00 C ATOM 1813 O GLU A 117 12.080 21.522 -11.344 1.00 0.00 O ATOM 1814 CB GLU A 117 12.205 21.077 -8.059 1.00 0.00 C ATOM 1815 CG GLU A 117 13.715 21.141 -8.394 1.00 0.00 C ATOM 1816 CD GLU A 117 14.249 22.585 -8.464 1.00 0.00 C ATOM 1817 OE1 GLU A 117 14.513 23.179 -7.397 1.00 0.00 O ATOM 1818 OE2 GLU A 117 14.397 23.136 -9.577 1.00 0.00 O ATOM 0 H GLU A 117 9.765 21.221 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 117 11.587 22.800 -9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.045 21.538 -7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 117 11.913 20.031 -7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 117 14.274 20.588 -7.639 1.00 0.00 H new ATOM 0 HG3 GLU A 117 13.892 20.646 -9.349 1.00 0.00 H new ATOM 1825 N ARG A 118 10.539 20.013 -10.648 1.00 0.00 N ATOM 1826 CA ARG A 118 10.563 19.133 -11.835 1.00 0.00 C ATOM 1827 C ARG A 118 10.085 19.888 -13.097 1.00 0.00 C ATOM 1828 O ARG A 118 10.504 19.571 -14.215 1.00 0.00 O ATOM 1829 CB ARG A 118 9.689 17.871 -11.546 1.00 0.00 C ATOM 1830 CG ARG A 118 9.556 16.830 -12.695 1.00 0.00 C ATOM 1831 CD ARG A 118 10.910 16.289 -13.203 1.00 0.00 C ATOM 1832 NE ARG A 118 10.747 15.036 -13.975 1.00 0.00 N ATOM 1833 CZ ARG A 118 11.615 14.550 -14.875 1.00 0.00 C ATOM 1834 NH1 ARG A 118 12.675 15.246 -15.255 1.00 0.00 N ATOM 1835 NH2 ARG A 118 11.396 13.361 -15.411 1.00 0.00 N ATOM 0 H ARG A 118 9.834 19.742 -9.963 1.00 0.00 H new ATOM 0 HA ARG A 118 11.586 18.814 -12.034 1.00 0.00 H new ATOM 0 HB2 ARG A 118 10.103 17.364 -10.675 1.00 0.00 H new ATOM 0 HB3 ARG A 118 8.688 18.206 -11.274 1.00 0.00 H new ATOM 0 HG2 ARG A 118 8.948 15.994 -12.348 1.00 0.00 H new ATOM 0 HG3 ARG A 118 9.022 17.288 -13.528 1.00 0.00 H new ATOM 0 HD2 ARG A 118 11.390 17.041 -13.829 1.00 0.00 H new ATOM 0 HD3 ARG A 118 11.571 16.110 -12.355 1.00 0.00 H new ATOM 0 HE ARG A 118 9.899 14.494 -13.808 1.00 0.00 H new ATOM 0 HH11 ARG A 118 12.845 16.172 -14.862 1.00 0.00 H new ATOM 0 HH12 ARG A 118 13.322 14.857 -15.941 1.00 0.00 H new ATOM 0 HH21 ARG A 118 10.573 12.823 -15.139 1.00 0.00 H new ATOM 0 HH22 ARG A 118 12.050 12.982 -16.096 1.00 0.00 H new ATOM 1849 N ILE A 119 9.238 20.912 -12.891 1.00 0.00 N ATOM 1850 CA ILE A 119 8.670 21.723 -13.980 1.00 0.00 C ATOM 1851 C ILE A 119 9.749 22.680 -14.533 1.00 0.00 C ATOM 1852 O ILE A 119 10.071 22.640 -15.727 1.00 0.00 O ATOM 1853 CB ILE A 119 7.374 22.520 -13.517 1.00 0.00 C ATOM 1854 CG1 ILE A 119 6.168 21.553 -13.214 1.00 0.00 C ATOM 1855 CG2 ILE A 119 6.948 23.582 -14.573 1.00 0.00 C ATOM 1856 CD1 ILE A 119 6.304 20.652 -12.002 1.00 0.00 C ATOM 0 H ILE A 119 8.928 21.200 -11.963 1.00 0.00 H new ATOM 0 HA ILE A 119 8.351 21.050 -14.776 1.00 0.00 H new ATOM 0 HB ILE A 119 7.640 23.034 -12.594 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.270 22.158 -13.089 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.009 20.924 -14.089 1.00 0.00 H new ATOM 0 HG21 ILE A 119 6.059 24.107 -14.223 1.00 0.00 H new ATOM 0 HG22 ILE A 119 7.758 24.297 -14.718 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.728 23.087 -15.519 1.00 0.00 H new ATOM 0 HD11 ILE A 119 5.409 20.037 -11.904 1.00 0.00 H new ATOM 0 HD12 ILE A 119 7.175 20.008 -12.123 1.00 0.00 H new ATOM 0 HD13 ILE A 119 6.425 21.262 -11.107 1.00 0.00 H new ATOM 1868 N ILE A 120 10.313 23.530 -13.656 1.00 0.00 N ATOM 1869 CA ILE A 120 11.380 24.490 -14.024 1.00 0.00 C ATOM 1870 C ILE A 120 12.661 24.143 -13.250 1.00 0.00 C ATOM 1871 O ILE A 120 12.766 24.416 -12.047 1.00 0.00 O ATOM 1872 CB ILE A 120 10.941 25.987 -13.754 1.00 0.00 C ATOM 1873 CG1 ILE A 120 9.732 26.371 -14.679 1.00 0.00 C ATOM 1874 CG2 ILE A 120 12.128 26.984 -13.925 1.00 0.00 C ATOM 1875 CD1 ILE A 120 9.167 27.767 -14.463 1.00 0.00 C ATOM 0 H ILE A 120 10.045 23.574 -12.673 1.00 0.00 H new ATOM 0 HA ILE A 120 11.570 24.407 -15.094 1.00 0.00 H new ATOM 0 HB ILE A 120 10.620 26.061 -12.715 1.00 0.00 H new ATOM 0 HG12 ILE A 120 10.048 26.281 -15.718 1.00 0.00 H new ATOM 0 HG13 ILE A 120 8.933 25.646 -14.525 1.00 0.00 H new ATOM 0 HG21 ILE A 120 11.782 27.999 -13.730 1.00 0.00 H new ATOM 0 HG22 ILE A 120 12.921 26.730 -13.221 1.00 0.00 H new ATOM 0 HG23 ILE A 120 12.512 26.921 -14.943 1.00 0.00 H new ATOM 0 HD11 ILE A 120 8.337 27.934 -15.150 1.00 0.00 H new ATOM 0 HD12 ILE A 120 8.813 27.862 -13.436 1.00 0.00 H new ATOM 0 HD13 ILE A 120 9.945 28.507 -14.648 1.00 0.00 H new ATOM 1887 N ARG A 121 13.604 23.487 -13.948 1.00 0.00 N ATOM 1888 CA ARG A 121 14.940 23.161 -13.412 1.00 0.00 C ATOM 1889 C ARG A 121 15.978 24.134 -13.999 1.00 0.00 C ATOM 1890 O ARG A 121 16.612 24.901 -13.268 1.00 0.00 O ATOM 1891 CB ARG A 121 15.325 21.690 -13.742 1.00 0.00 C ATOM 1892 CG ARG A 121 14.392 20.636 -13.111 1.00 0.00 C ATOM 1893 CD ARG A 121 14.858 19.194 -13.343 1.00 0.00 C ATOM 1894 NE ARG A 121 14.876 18.833 -14.773 1.00 0.00 N ATOM 1895 CZ ARG A 121 15.708 17.946 -15.332 1.00 0.00 C ATOM 1896 NH1 ARG A 121 16.666 17.367 -14.627 1.00 0.00 N ATOM 1897 NH2 ARG A 121 15.580 17.645 -16.611 1.00 0.00 N ATOM 0 H ARG A 121 13.461 23.166 -14.905 1.00 0.00 H new ATOM 0 HA ARG A 121 14.921 23.266 -12.327 1.00 0.00 H new ATOM 0 HB2 ARG A 121 15.323 21.560 -14.824 1.00 0.00 H new ATOM 0 HB3 ARG A 121 16.344 21.508 -13.401 1.00 0.00 H new ATOM 0 HG2 ARG A 121 14.322 20.819 -12.039 1.00 0.00 H new ATOM 0 HG3 ARG A 121 13.389 20.757 -13.522 1.00 0.00 H new ATOM 0 HD2 ARG A 121 15.857 19.066 -12.926 1.00 0.00 H new ATOM 0 HD3 ARG A 121 14.199 18.511 -12.807 1.00 0.00 H new ATOM 0 HE ARG A 121 14.202 19.295 -15.383 1.00 0.00 H new ATOM 0 HH11 ARG A 121 16.781 17.594 -13.639 1.00 0.00 H new ATOM 0 HH12 ARG A 121 17.290 16.693 -15.071 1.00 0.00 H new ATOM 0 HH21 ARG A 121 14.850 18.088 -17.169 1.00 0.00 H new ATOM 0 HH22 ARG A 121 16.212 16.970 -17.042 1.00 0.00 H new ATOM 1911 N HIS A 122 16.114 24.108 -15.339 1.00 0.00 N ATOM 1912 CA HIS A 122 17.131 24.883 -16.080 1.00 0.00 C ATOM 1913 C HIS A 122 16.797 24.868 -17.583 1.00 0.00 C ATOM 1914 O HIS A 122 16.202 23.903 -18.079 1.00 0.00 O ATOM 1915 CB HIS A 122 18.547 24.283 -15.821 1.00 0.00 C ATOM 1916 CG HIS A 122 19.696 24.994 -16.499 1.00 0.00 C ATOM 1917 ND1 HIS A 122 20.154 26.230 -16.102 1.00 0.00 N ATOM 1918 CD2 HIS A 122 20.491 24.624 -17.535 1.00 0.00 C ATOM 1919 CE1 HIS A 122 21.174 26.585 -16.856 1.00 0.00 C ATOM 1920 NE2 HIS A 122 21.399 25.629 -17.731 1.00 0.00 N ATOM 0 H HIS A 122 15.517 23.544 -15.944 1.00 0.00 H new ATOM 0 HA HIS A 122 17.128 25.916 -15.733 1.00 0.00 H new ATOM 0 HB2 HIS A 122 18.729 24.281 -14.746 1.00 0.00 H new ATOM 0 HB3 HIS A 122 18.545 23.243 -16.146 1.00 0.00 H new ATOM 0 HD2 HIS A 122 20.420 23.706 -18.100 1.00 0.00 H new ATOM 0 HE1 HIS A 122 21.732 27.506 -16.770 1.00 0.00 H new ATOM 0 HE2 HIS A 122 22.132 25.636 -18.441 1.00 0.00 H new ATOM 1929 N GLU A 123 17.176 25.949 -18.290 1.00 0.00 N ATOM 1930 CA GLU A 123 17.057 26.035 -19.755 1.00 0.00 C ATOM 1931 C GLU A 123 18.039 25.037 -20.408 1.00 0.00 C ATOM 1932 O GLU A 123 19.255 25.279 -20.418 1.00 0.00 O ATOM 1933 CB GLU A 123 17.351 27.484 -20.245 1.00 0.00 C ATOM 1934 CG GLU A 123 16.449 28.591 -19.650 1.00 0.00 C ATOM 1935 CD GLU A 123 14.974 28.456 -20.060 1.00 0.00 C ATOM 1936 OE1 GLU A 123 14.618 28.882 -21.181 1.00 0.00 O ATOM 1937 OE2 GLU A 123 14.169 27.913 -19.283 1.00 0.00 O ATOM 0 H GLU A 123 17.573 26.785 -17.861 1.00 0.00 H new ATOM 0 HA GLU A 123 16.038 25.781 -20.045 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.389 27.723 -20.012 1.00 0.00 H new ATOM 0 HB3 GLU A 123 17.254 27.507 -21.330 1.00 0.00 H new ATOM 0 HG2 GLU A 123 16.521 28.564 -18.563 1.00 0.00 H new ATOM 0 HG3 GLU A 123 16.821 29.564 -19.970 1.00 0.00 H new ATOM 1944 N GLY A 124 17.496 23.905 -20.909 1.00 0.00 N ATOM 1945 CA GLY A 124 18.292 22.843 -21.547 1.00 0.00 C ATOM 1946 C GLY A 124 19.038 23.307 -22.798 1.00 0.00 C ATOM 1947 O GLY A 124 20.062 22.723 -23.167 1.00 0.00 O ATOM 0 H GLY A 124 16.496 23.706 -20.881 1.00 0.00 H new ATOM 0 HA2 GLY A 124 19.013 22.458 -20.826 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.633 22.016 -21.812 1.00 0.00 H new ATOM 1951 N SER A 125 18.494 24.347 -23.459 1.00 0.00 N ATOM 1952 CA SER A 125 19.119 25.002 -24.614 1.00 0.00 C ATOM 1953 C SER A 125 20.061 26.126 -24.116 1.00 0.00 C ATOM 1954 O SER A 125 19.557 27.161 -23.624 1.00 0.00 O ATOM 1955 CB SER A 125 18.020 25.555 -25.550 1.00 0.00 C ATOM 1956 OG SER A 125 17.123 24.521 -25.928 1.00 0.00 O ATOM 1957 OXT SER A 125 21.293 25.970 -24.202 1.00 0.00 O ATOM 0 H SER A 125 17.597 24.757 -23.199 1.00 0.00 H new ATOM 0 HA SER A 125 19.714 24.285 -25.180 1.00 0.00 H new ATOM 0 HB2 SER A 125 17.474 26.353 -25.047 1.00 0.00 H new ATOM 0 HB3 SER A 125 18.476 25.992 -26.438 1.00 0.00 H new ATOM 0 HG SER A 125 16.432 24.887 -26.519 1.00 0.00 H new TER 1963 SER A 125