USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 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 Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.336 K(o=-0.34,f=-1.5) USER MOD Single : A 11 ASN :FLIP amide:sc= -1.17 F(o=-2.7!,f=-1.2) USER MOD Single : A 15 GLN : amide:sc= -0.075 X(o=-0.075,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 150:sc= -0.793 (180deg=-2.3!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.673 USER MOD Single : A 24 SER OG : rot 39:sc= 1.11 USER MOD Single : A 29 THR OG1 : rot 19:sc= 0.797 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -118:sc= -4.8! (180deg=-7.59!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00929) USER MOD Single : A 44 ASN : amide:sc= -0.135 K(o=-0.14,f=-2.2!) USER MOD Single : A 46 ASN : amide:sc= -0.5 K(o=-0.5,f=-2.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.017 K(o=-0.017,f=-1) USER MOD Single : A 54 THR OG1 : rot 27:sc= 1.19 USER MOD Single : A 57 GLN : amide:sc= -0.102 K(o=-0.1,f=-1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 69 LYS NZ :NH3+ -138:sc= -0.455 (180deg=-1.48) USER MOD Single : A 71 TYR OH : rot 54:sc= -3.14! USER MOD Single : A 72 ASN : amide:sc= -0.868 X(o=-0.87,f=-0.54) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 163:sc= -0.349 (180deg=-0.567) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc=0.000315 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -173:sc= -5.26! (180deg=-5.31!) USER MOD Single : A 89 ASN : amide:sc= -6.62! C(o=-6.6!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 -11.596 -12.517 -6.150 1.00 0.00 N ATOM 19 CA ASP A 2 -12.619 -12.800 -5.157 1.00 0.00 C ATOM 20 C ASP A 2 -12.146 -12.302 -3.790 1.00 0.00 C ATOM 21 O ASP A 2 -11.342 -12.959 -3.130 1.00 0.00 O ATOM 22 CB ASP A 2 -12.882 -14.303 -5.048 1.00 0.00 C ATOM 23 CG ASP A 2 -12.328 -15.141 -6.202 1.00 0.00 C ATOM 24 OD1 ASP A 2 -12.487 -14.789 -7.381 1.00 0.00 O ATOM 25 OD2 ASP A 2 -11.703 -16.213 -5.848 1.00 0.00 O ATOM 0 HA ASP A 2 -13.536 -12.296 -5.464 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.450 -14.666 -4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.958 -14.465 -4.985 1.00 0.00 H new ATOM 31 N ILE A 3 -12.666 -11.146 -3.404 1.00 0.00 N ATOM 32 CA ILE A 3 -12.308 -10.553 -2.127 1.00 0.00 C ATOM 33 C ILE A 3 -13.493 -10.665 -1.166 1.00 0.00 C ATOM 34 O ILE A 3 -14.647 -10.603 -1.589 1.00 0.00 O ATOM 35 CB ILE A 3 -11.808 -9.119 -2.322 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.299 -9.095 -2.576 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.206 -8.234 -1.141 1.00 0.00 C ATOM 38 CD1 ILE A 3 -9.854 -7.727 -3.098 1.00 0.00 C ATOM 0 H ILE A 3 -13.333 -10.604 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.478 -11.097 -1.675 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.290 -8.706 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.767 -9.327 -1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.036 -9.867 -3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.838 -7.221 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.292 -8.216 -1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.772 -8.633 -0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.778 -7.736 -3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.370 -7.509 -4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.097 -6.960 -2.362 1.00 0.00 H new ATOM 50 N SER A 4 -13.168 -10.827 0.107 1.00 0.00 N ATOM 51 CA SER A 4 -14.192 -10.949 1.131 1.00 0.00 C ATOM 52 C SER A 4 -13.848 -10.053 2.324 1.00 0.00 C ATOM 53 O SER A 4 -12.744 -10.125 2.861 1.00 0.00 O ATOM 54 CB SER A 4 -14.347 -12.401 1.586 1.00 0.00 C ATOM 55 OG SER A 4 -15.715 -12.793 1.663 1.00 0.00 O ATOM 0 H SER A 4 -12.210 -10.877 0.454 1.00 0.00 H new ATOM 0 HA SER A 4 -15.142 -10.627 0.704 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.821 -13.056 0.892 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.878 -12.527 2.562 1.00 0.00 H new ATOM 0 HG SER A 4 -15.772 -13.727 1.955 1.00 0.00 H new ATOM 61 N ILE A 5 -14.815 -9.231 2.703 1.00 0.00 N ATOM 62 CA ILE A 5 -14.628 -8.322 3.822 1.00 0.00 C ATOM 63 C ILE A 5 -14.840 -9.084 5.132 1.00 0.00 C ATOM 64 O ILE A 5 -15.824 -9.806 5.283 1.00 0.00 O ATOM 65 CB ILE A 5 -15.530 -7.094 3.672 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.371 -6.464 2.286 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.273 -6.086 4.794 1.00 0.00 C ATOM 68 CD1 ILE A 5 -13.976 -5.861 2.115 1.00 0.00 C ATOM 0 H ILE A 5 -15.730 -9.175 2.256 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.608 -7.939 3.836 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.567 -7.417 3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.542 -7.218 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.125 -5.690 2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.926 -5.223 4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.477 -6.554 5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.233 -5.762 4.761 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.889 -5.420 1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.818 -5.090 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.225 -6.642 2.232 1.00 0.00 H new ATOM 80 N ILE A 6 -13.900 -8.895 6.047 1.00 0.00 N ATOM 81 CA ILE A 6 -13.971 -9.556 7.339 1.00 0.00 C ATOM 82 C ILE A 6 -14.625 -8.614 8.353 1.00 0.00 C ATOM 83 O ILE A 6 -15.653 -8.946 8.940 1.00 0.00 O ATOM 84 CB ILE A 6 -12.588 -10.052 7.765 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.962 -10.929 6.677 1.00 0.00 C ATOM 86 CG2 ILE A 6 -12.653 -10.770 9.114 1.00 0.00 C ATOM 87 CD1 ILE A 6 -12.544 -12.343 6.712 1.00 0.00 C ATOM 0 H ILE A 6 -13.086 -8.294 5.919 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.598 -10.446 7.277 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.939 -9.186 7.894 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.139 -10.483 5.698 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.882 -10.973 6.817 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.656 -11.112 9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -13.027 -10.084 9.874 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -13.323 -11.627 9.038 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.083 -12.946 5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.344 -12.795 7.684 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.621 -12.297 6.548 1.00 0.00 H new ATOM 99 N SER A 7 -14.002 -7.458 8.527 1.00 0.00 N ATOM 100 CA SER A 7 -14.510 -6.467 9.458 1.00 0.00 C ATOM 101 C SER A 7 -14.345 -5.064 8.871 1.00 0.00 C ATOM 102 O SER A 7 -13.578 -4.867 7.930 1.00 0.00 O ATOM 103 CB SER A 7 -13.798 -6.564 10.808 1.00 0.00 C ATOM 104 OG SER A 7 -13.544 -7.915 11.182 1.00 0.00 O ATOM 0 H SER A 7 -13.149 -7.186 8.038 1.00 0.00 H new ATOM 0 HA SER A 7 -15.570 -6.663 9.621 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.856 -6.018 10.761 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.407 -6.084 11.574 1.00 0.00 H new ATOM 0 HG SER A 7 -13.087 -7.934 12.049 1.00 0.00 H new ATOM 110 N ASP A 8 -15.078 -4.124 9.451 1.00 0.00 N ATOM 111 CA ASP A 8 -15.022 -2.745 8.996 1.00 0.00 C ATOM 112 C ASP A 8 -14.905 -1.817 10.208 1.00 0.00 C ATOM 113 O ASP A 8 -15.914 -1.414 10.785 1.00 0.00 O ATOM 114 CB ASP A 8 -16.291 -2.365 8.231 1.00 0.00 C ATOM 115 CG ASP A 8 -17.599 -2.604 8.990 1.00 0.00 C ATOM 116 OD1 ASP A 8 -18.113 -3.732 9.035 1.00 0.00 O ATOM 117 OD2 ASP A 8 -18.100 -1.560 9.556 1.00 0.00 O ATOM 0 H ASP A 8 -15.713 -4.290 10.231 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.160 -2.642 8.337 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.233 -1.311 7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.320 -2.931 7.300 1.00 0.00 H new ATOM 123 N ARG A 9 -13.665 -1.508 10.558 1.00 0.00 N ATOM 124 CA ARG A 9 -13.404 -0.635 11.691 1.00 0.00 C ATOM 125 C ARG A 9 -13.115 0.787 11.209 1.00 0.00 C ATOM 126 O ARG A 9 -12.531 0.980 10.144 1.00 0.00 O ATOM 127 CB ARG A 9 -12.215 -1.140 12.512 1.00 0.00 C ATOM 128 CG ARG A 9 -12.689 -1.906 13.749 1.00 0.00 C ATOM 129 CD ARG A 9 -12.263 -1.191 15.033 1.00 0.00 C ATOM 130 NE ARG A 9 -11.917 -2.185 16.073 1.00 0.00 N ATOM 131 CZ ARG A 9 -12.828 -2.895 16.774 1.00 0.00 C ATOM 132 NH1 ARG A 9 -14.148 -2.726 16.549 1.00 0.00 N ATOM 133 NH2 ARG A 9 -12.406 -3.756 17.681 1.00 0.00 N ATOM 0 H ARG A 9 -12.831 -1.846 10.078 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.293 -0.635 12.322 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.592 -1.788 11.896 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.595 -0.297 12.817 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.774 -2.005 13.726 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.277 -2.915 13.736 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.406 -0.547 14.834 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.069 -0.548 15.386 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.930 -2.344 16.273 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.464 -2.058 15.846 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.829 -3.266 17.082 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.406 -3.877 17.843 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.080 -4.301 18.220 1.00 0.00 H new ATOM 146 N ASN A 10 -13.536 1.749 12.017 1.00 0.00 N ATOM 147 CA ASN A 10 -13.330 3.149 11.687 1.00 0.00 C ATOM 148 C ASN A 10 -12.497 3.810 12.788 1.00 0.00 C ATOM 149 O ASN A 10 -12.851 3.745 13.964 1.00 0.00 O ATOM 150 CB ASN A 10 -14.663 3.895 11.590 1.00 0.00 C ATOM 151 CG ASN A 10 -14.450 5.408 11.650 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.473 5.944 11.152 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.416 6.065 12.285 1.00 0.00 N ATOM 0 H ASN A 10 -14.019 1.586 12.900 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.820 3.197 10.725 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.164 3.631 10.659 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.318 3.584 12.404 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.367 7.080 12.378 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.206 5.554 12.679 1.00 0.00 H new ATOM 160 N ASN A 11 -11.406 4.433 12.366 1.00 0.00 N ATOM 161 CA ASN A 11 -10.520 5.106 13.300 1.00 0.00 C ATOM 162 C ASN A 11 -10.505 6.604 12.993 1.00 0.00 C ATOM 163 O ASN A 11 -9.707 7.067 12.180 1.00 0.00 O ATOM 164 CB ASN A 11 -9.088 4.583 13.175 1.00 0.00 C ATOM 165 CG ASN A 11 -8.893 3.312 14.005 1.00 0.00 C ATOM 166 OD1 ASN A 11 -9.735 2.330 13.697 1.00 0.00 O flip ATOM 167 ND2 ASN A 11 -8.035 3.229 14.868 1.00 0.00 N flip ATOM 0 H ASN A 11 -11.116 4.486 11.390 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.886 4.916 14.309 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.863 4.376 12.129 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.387 5.349 13.507 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.421 4.022 15.054 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.932 2.367 15.403 1.00 0.00 H new ATOM 174 N PRO A 12 -11.420 7.341 13.678 1.00 0.00 N ATOM 175 CA PRO A 12 -11.520 8.778 13.487 1.00 0.00 C ATOM 176 C PRO A 12 -10.365 9.504 14.180 1.00 0.00 C ATOM 177 O PRO A 12 -9.875 10.516 13.681 1.00 0.00 O ATOM 178 CB PRO A 12 -12.881 9.156 14.048 1.00 0.00 C ATOM 179 CG PRO A 12 -13.296 8.004 14.948 1.00 0.00 C ATOM 180 CD PRO A 12 -12.381 6.827 14.650 1.00 0.00 C ATOM 0 HA PRO A 12 -11.441 9.070 12.440 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.827 10.089 14.608 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.605 9.307 13.247 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.219 8.292 15.997 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.336 7.734 14.767 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.881 6.475 15.553 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.940 5.983 14.246 1.00 0.00 H new ATOM 188 N LEU A 13 -9.963 8.959 15.319 1.00 0.00 N ATOM 189 CA LEU A 13 -8.875 9.542 16.085 1.00 0.00 C ATOM 190 C LEU A 13 -7.743 9.941 15.134 1.00 0.00 C ATOM 191 O LEU A 13 -7.416 11.120 15.013 1.00 0.00 O ATOM 192 CB LEU A 13 -8.435 8.593 17.200 1.00 0.00 C ATOM 193 CG LEU A 13 -9.471 8.312 18.290 1.00 0.00 C ATOM 194 CD1 LEU A 13 -10.150 6.959 18.067 1.00 0.00 C ATOM 195 CD2 LEU A 13 -8.845 8.416 19.682 1.00 0.00 C ATOM 0 H LEU A 13 -10.372 8.120 15.730 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.207 10.452 16.585 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.145 7.644 16.749 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.544 9.007 17.672 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.247 9.075 18.228 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.882 6.785 18.856 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.653 6.959 17.100 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.400 6.168 18.086 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.603 8.212 20.438 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.037 7.690 19.773 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.448 9.421 19.828 1.00 0.00 H new ATOM 207 N LEU A 14 -7.178 8.935 14.484 1.00 0.00 N ATOM 208 CA LEU A 14 -6.091 9.165 13.548 1.00 0.00 C ATOM 209 C LEU A 14 -6.664 9.346 12.141 1.00 0.00 C ATOM 210 O LEU A 14 -5.980 9.094 11.152 1.00 0.00 O ATOM 211 CB LEU A 14 -5.051 8.047 13.650 1.00 0.00 C ATOM 212 CG LEU A 14 -4.544 7.729 15.058 1.00 0.00 C ATOM 213 CD1 LEU A 14 -4.324 6.225 15.234 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.284 8.534 15.382 1.00 0.00 C ATOM 0 H LEU A 14 -7.453 7.958 14.587 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.562 10.085 13.797 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.480 7.139 13.226 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.196 8.315 13.029 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.310 8.029 15.773 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.964 6.026 16.243 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.265 5.698 15.074 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.586 5.878 14.510 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.945 8.289 16.388 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.501 8.288 14.665 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.508 9.599 15.324 1.00 0.00 H new ATOM 226 N GLN A 15 -7.915 9.781 12.098 1.00 0.00 N ATOM 227 CA GLN A 15 -8.588 9.998 10.828 1.00 0.00 C ATOM 228 C GLN A 15 -8.220 8.893 9.837 1.00 0.00 C ATOM 229 O GLN A 15 -8.048 9.153 8.647 1.00 0.00 O ATOM 230 CB GLN A 15 -8.255 11.378 10.260 1.00 0.00 C ATOM 231 CG GLN A 15 -9.448 12.328 10.387 1.00 0.00 C ATOM 232 CD GLN A 15 -8.991 13.732 10.787 1.00 0.00 C ATOM 233 OE1 GLN A 15 -9.148 14.696 10.054 1.00 0.00 O ATOM 234 NE2 GLN A 15 -8.417 13.795 11.984 1.00 0.00 N ATOM 0 H GLN A 15 -8.480 9.989 12.921 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.664 9.962 10.998 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.397 11.794 10.787 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.970 11.284 9.212 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.984 12.373 9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.146 11.943 11.130 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.317 12.950 12.547 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.077 14.688 12.340 1.00 0.00 H new ATOM 243 N ARG A 16 -8.111 7.682 10.363 1.00 0.00 N ATOM 244 CA ARG A 16 -7.767 6.536 9.539 1.00 0.00 C ATOM 245 C ARG A 16 -8.939 5.553 9.479 1.00 0.00 C ATOM 246 O ARG A 16 -9.909 5.693 10.223 1.00 0.00 O ATOM 247 CB ARG A 16 -6.534 5.814 10.086 1.00 0.00 C ATOM 248 CG ARG A 16 -5.316 6.740 10.095 1.00 0.00 C ATOM 249 CD ARG A 16 -4.084 6.033 9.530 1.00 0.00 C ATOM 250 NE ARG A 16 -3.801 4.807 10.311 1.00 0.00 N ATOM 251 CZ ARG A 16 -3.039 4.778 11.424 1.00 0.00 C ATOM 252 NH1 ARG A 16 -2.474 5.909 11.898 1.00 0.00 N ATOM 253 NH2 ARG A 16 -2.853 3.627 12.043 1.00 0.00 N ATOM 0 H ARG A 16 -8.255 7.469 11.350 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.545 6.904 8.537 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.734 5.460 11.097 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.323 4.935 9.477 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.529 7.632 9.506 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.114 7.071 11.114 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.249 5.777 8.483 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.224 6.702 9.563 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.208 3.929 9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.622 6.795 11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.899 5.878 12.740 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.283 2.777 11.679 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.280 3.588 12.886 1.00 0.00 H new ATOM 266 N ARG A 17 -8.811 4.583 8.587 1.00 0.00 N ATOM 267 CA ARG A 17 -9.848 3.578 8.420 1.00 0.00 C ATOM 268 C ARG A 17 -9.242 2.174 8.493 1.00 0.00 C ATOM 269 O ARG A 17 -8.325 1.851 7.741 1.00 0.00 O ATOM 270 CB ARG A 17 -10.567 3.746 7.080 1.00 0.00 C ATOM 271 CG ARG A 17 -12.081 3.598 7.249 1.00 0.00 C ATOM 272 CD ARG A 17 -12.807 4.876 6.823 1.00 0.00 C ATOM 273 NE ARG A 17 -13.599 4.623 5.598 1.00 0.00 N ATOM 274 CZ ARG A 17 -14.456 5.513 5.054 1.00 0.00 C ATOM 275 NH1 ARG A 17 -14.640 6.724 5.624 1.00 0.00 N ATOM 276 NH2 ARG A 17 -15.112 5.182 3.957 1.00 0.00 N ATOM 0 H ARG A 17 -8.005 4.471 7.972 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.570 3.709 9.226 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.338 4.726 6.660 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.202 3.003 6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.437 2.757 6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.314 3.372 8.290 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.461 5.217 7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.084 5.671 6.641 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.490 3.720 5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.130 6.972 6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.289 7.391 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.968 4.265 3.533 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.763 5.843 3.533 1.00 0.00 H new ATOM 289 N GLU A 18 -9.781 1.380 9.406 1.00 0.00 N ATOM 290 CA GLU A 18 -9.307 0.018 9.586 1.00 0.00 C ATOM 291 C GLU A 18 -10.321 -0.978 9.022 1.00 0.00 C ATOM 292 O GLU A 18 -11.323 -1.282 9.667 1.00 0.00 O ATOM 293 CB GLU A 18 -9.018 -0.270 11.061 1.00 0.00 C ATOM 294 CG GLU A 18 -7.972 0.699 11.615 1.00 0.00 C ATOM 295 CD GLU A 18 -7.229 0.083 12.803 1.00 0.00 C ATOM 296 OE1 GLU A 18 -6.642 -1.001 12.673 1.00 0.00 O ATOM 297 OE2 GLU A 18 -7.275 0.774 13.891 1.00 0.00 O ATOM 0 H GLU A 18 -10.541 1.653 10.029 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.373 -0.096 9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.939 -0.186 11.639 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.664 -1.295 11.172 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.260 0.959 10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.457 1.625 11.925 1.00 0.00 H new ATOM 305 N ILE A 19 -10.027 -1.458 7.822 1.00 0.00 N ATOM 306 CA ILE A 19 -10.902 -2.413 7.163 1.00 0.00 C ATOM 307 C ILE A 19 -10.095 -3.657 6.783 1.00 0.00 C ATOM 308 O ILE A 19 -9.189 -3.584 5.955 1.00 0.00 O ATOM 309 CB ILE A 19 -11.616 -1.758 5.980 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.476 -0.580 6.442 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.427 -2.787 5.191 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.503 -0.198 5.374 1.00 0.00 C ATOM 0 H ILE A 19 -9.195 -1.203 7.289 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.692 -2.738 7.841 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.860 -1.358 5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.989 -0.841 7.368 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.838 0.276 6.661 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.925 -2.295 4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.761 -3.562 4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.174 -3.239 5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.101 0.642 5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.986 0.086 4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.155 -1.049 5.175 1.00 0.00 H new ATOM 324 N LYS A 20 -10.456 -4.770 7.407 1.00 0.00 N ATOM 325 CA LYS A 20 -9.778 -6.027 7.144 1.00 0.00 C ATOM 326 C LYS A 20 -10.602 -6.849 6.151 1.00 0.00 C ATOM 327 O LYS A 20 -11.832 -6.820 6.187 1.00 0.00 O ATOM 328 CB LYS A 20 -9.483 -6.761 8.454 1.00 0.00 C ATOM 329 CG LYS A 20 -8.072 -7.352 8.446 1.00 0.00 C ATOM 330 CD LYS A 20 -8.086 -8.796 7.941 1.00 0.00 C ATOM 331 CE LYS A 20 -9.068 -9.650 8.745 1.00 0.00 C ATOM 332 NZ LYS A 20 -8.456 -10.951 9.097 1.00 0.00 N ATOM 0 H LYS A 20 -11.209 -4.826 8.093 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.808 -5.846 6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.588 -6.072 9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.213 -7.556 8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.424 -6.747 7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.654 -7.319 9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.362 -8.813 6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.085 -9.220 8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.360 -9.122 9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.976 -9.814 8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.853 -11.290 9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.657 -11.643 8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.427 -10.836 9.195 1.00 0.00 H new ATOM 345 N PHE A 21 -9.893 -7.561 5.288 1.00 0.00 N ATOM 346 CA PHE A 21 -10.544 -8.388 4.286 1.00 0.00 C ATOM 347 C PHE A 21 -9.589 -9.458 3.754 1.00 0.00 C ATOM 348 O PHE A 21 -8.436 -9.533 4.176 1.00 0.00 O ATOM 349 CB PHE A 21 -10.949 -7.465 3.136 1.00 0.00 C ATOM 350 CG PHE A 21 -9.771 -6.963 2.297 1.00 0.00 C ATOM 351 CD1 PHE A 21 -9.343 -7.685 1.227 1.00 0.00 C ATOM 352 CD2 PHE A 21 -9.154 -5.796 2.621 1.00 0.00 C ATOM 353 CE1 PHE A 21 -8.251 -7.220 0.448 1.00 0.00 C ATOM 354 CE2 PHE A 21 -8.062 -5.331 1.842 1.00 0.00 C ATOM 355 CZ PHE A 21 -7.633 -6.053 0.772 1.00 0.00 C ATOM 0 H PHE A 21 -8.874 -7.582 5.262 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.405 -8.893 4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.645 -7.995 2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.484 -6.607 3.543 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.834 -8.612 0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.494 -5.223 3.471 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.911 -7.793 -0.402 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.572 -4.404 2.099 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.802 -5.699 0.180 1.00 0.00 H new ATOM 365 N THR A 22 -10.103 -10.260 2.833 1.00 0.00 N ATOM 366 CA THR A 22 -9.310 -11.322 2.238 1.00 0.00 C ATOM 367 C THR A 22 -9.352 -11.228 0.711 1.00 0.00 C ATOM 368 O THR A 22 -10.339 -10.764 0.141 1.00 0.00 O ATOM 369 CB THR A 22 -9.826 -12.657 2.778 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.904 -12.992 3.811 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.680 -13.794 1.765 1.00 0.00 C ATOM 0 H THR A 22 -11.059 -10.195 2.484 1.00 0.00 H new ATOM 0 HA THR A 22 -8.258 -11.229 2.510 1.00 0.00 H new ATOM 0 HB THR A 22 -10.874 -12.554 3.059 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.164 -13.845 4.218 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.061 -14.719 2.198 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.247 -13.555 0.865 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.628 -13.920 1.509 1.00 0.00 H new ATOM 379 N VAL A 23 -8.269 -11.675 0.092 1.00 0.00 N ATOM 380 CA VAL A 23 -8.170 -11.646 -1.357 1.00 0.00 C ATOM 381 C VAL A 23 -7.628 -12.989 -1.853 1.00 0.00 C ATOM 382 O VAL A 23 -6.614 -13.474 -1.356 1.00 0.00 O ATOM 383 CB VAL A 23 -7.317 -10.456 -1.800 1.00 0.00 C ATOM 384 CG1 VAL A 23 -5.921 -10.519 -1.176 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.232 -10.381 -3.326 1.00 0.00 C ATOM 0 H VAL A 23 -7.453 -12.059 0.568 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.154 -11.507 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.802 -9.546 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.335 -9.662 -1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.007 -10.502 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.425 -11.439 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.620 -9.526 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.782 -11.296 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.233 -10.267 -3.741 1.00 0.00 H new ATOM 395 N SER A 24 -8.328 -13.549 -2.827 1.00 0.00 N ATOM 396 CA SER A 24 -7.930 -14.826 -3.396 1.00 0.00 C ATOM 397 C SER A 24 -7.928 -14.740 -4.924 1.00 0.00 C ATOM 398 O SER A 24 -8.759 -14.049 -5.511 1.00 0.00 O ATOM 399 CB SER A 24 -8.855 -15.950 -2.929 1.00 0.00 C ATOM 400 OG SER A 24 -8.635 -17.158 -3.651 1.00 0.00 O ATOM 0 H SER A 24 -9.169 -13.143 -3.237 1.00 0.00 H new ATOM 0 HA SER A 24 -6.922 -15.055 -3.050 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.698 -16.130 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.893 -15.639 -3.050 1.00 0.00 H new ATOM 0 HG SER A 24 -7.674 -17.278 -3.803 1.00 0.00 H new ATOM 406 N PHE A 25 -6.986 -15.453 -5.524 1.00 0.00 N ATOM 407 CA PHE A 25 -6.865 -15.466 -6.972 1.00 0.00 C ATOM 408 C PHE A 25 -6.199 -16.756 -7.454 1.00 0.00 C ATOM 409 O PHE A 25 -5.501 -17.422 -6.690 1.00 0.00 O ATOM 410 CB PHE A 25 -5.985 -14.276 -7.358 1.00 0.00 C ATOM 411 CG PHE A 25 -4.645 -14.227 -6.621 1.00 0.00 C ATOM 412 CD1 PHE A 25 -3.649 -15.089 -6.962 1.00 0.00 C ATOM 413 CD2 PHE A 25 -4.450 -13.323 -5.624 1.00 0.00 C ATOM 414 CE1 PHE A 25 -2.406 -15.044 -6.278 1.00 0.00 C ATOM 415 CE2 PHE A 25 -3.207 -13.278 -4.940 1.00 0.00 C ATOM 416 CZ PHE A 25 -2.210 -14.140 -5.281 1.00 0.00 C ATOM 0 H PHE A 25 -6.299 -16.026 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.853 -15.406 -7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.797 -14.310 -8.431 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.531 -13.354 -7.159 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.804 -15.808 -7.753 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.241 -12.639 -5.353 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.616 -15.728 -6.549 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.052 -12.560 -4.149 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.264 -14.106 -4.760 1.00 0.00 H new ATOM 426 N ASP A 26 -6.437 -17.070 -8.720 1.00 0.00 N ATOM 427 CA ASP A 26 -5.869 -18.268 -9.313 1.00 0.00 C ATOM 428 C ASP A 26 -4.486 -17.944 -9.882 1.00 0.00 C ATOM 429 O ASP A 26 -4.336 -17.755 -11.089 1.00 0.00 O ATOM 430 CB ASP A 26 -6.743 -18.783 -10.458 1.00 0.00 C ATOM 431 CG ASP A 26 -8.248 -18.737 -10.194 1.00 0.00 C ATOM 432 OD1 ASP A 26 -8.691 -18.595 -9.044 1.00 0.00 O ATOM 433 OD2 ASP A 26 -8.991 -18.855 -11.243 1.00 0.00 O ATOM 0 H ASP A 26 -7.016 -16.515 -9.351 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.805 -19.031 -8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.528 -18.196 -11.351 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.459 -19.812 -10.677 1.00 0.00 H new ATOM 439 N ALA A 27 -3.511 -17.887 -8.987 1.00 0.00 N ATOM 440 CA ALA A 27 -2.146 -17.588 -9.385 1.00 0.00 C ATOM 441 C ALA A 27 -2.020 -16.092 -9.680 1.00 0.00 C ATOM 442 O ALA A 27 -1.199 -15.404 -9.077 1.00 0.00 O ATOM 443 CB ALA A 27 -1.764 -18.453 -10.588 1.00 0.00 C ATOM 0 H ALA A 27 -3.639 -18.043 -7.987 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.451 -17.824 -8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.740 -18.229 -10.887 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.841 -19.506 -10.318 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.439 -18.241 -11.417 1.00 0.00 H new ATOM 449 N ALA A 28 -2.849 -15.633 -10.607 1.00 0.00 N ATOM 450 CA ALA A 28 -2.842 -14.231 -10.988 1.00 0.00 C ATOM 451 C ALA A 28 -2.618 -13.369 -9.743 1.00 0.00 C ATOM 452 O ALA A 28 -3.478 -13.304 -8.867 1.00 0.00 O ATOM 453 CB ALA A 28 -4.148 -13.890 -11.707 1.00 0.00 C ATOM 0 H ALA A 28 -3.529 -16.207 -11.105 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.026 -14.026 -11.681 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.142 -12.838 -11.993 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.244 -14.508 -12.600 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.990 -14.081 -11.042 1.00 0.00 H new ATOM 459 N THR A 29 -1.458 -12.730 -9.706 1.00 0.00 N ATOM 460 CA THR A 29 -1.111 -11.875 -8.583 1.00 0.00 C ATOM 461 C THR A 29 -1.043 -10.412 -9.028 1.00 0.00 C ATOM 462 O THR A 29 -0.100 -10.010 -9.707 1.00 0.00 O ATOM 463 CB THR A 29 0.199 -12.390 -7.984 1.00 0.00 C ATOM 464 OG1 THR A 29 -0.217 -13.254 -6.931 1.00 0.00 O ATOM 465 CG2 THR A 29 0.990 -11.290 -7.273 1.00 0.00 C ATOM 0 H THR A 29 -0.747 -12.787 -10.435 1.00 0.00 H new ATOM 0 HA THR A 29 -1.876 -11.911 -7.807 1.00 0.00 H new ATOM 0 HB THR A 29 0.812 -12.826 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.153 -13.509 -7.068 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.910 -11.709 -6.866 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.234 -10.500 -7.983 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.390 -10.877 -6.462 1.00 0.00 H new ATOM 473 N PRO A 30 -2.083 -9.637 -8.616 1.00 0.00 N ATOM 474 CA PRO A 30 -2.149 -8.228 -8.964 1.00 0.00 C ATOM 475 C PRO A 30 -1.162 -7.410 -8.130 1.00 0.00 C ATOM 476 O PRO A 30 -0.232 -7.961 -7.545 1.00 0.00 O ATOM 477 CB PRO A 30 -3.598 -7.834 -8.729 1.00 0.00 C ATOM 478 CG PRO A 30 -4.179 -8.905 -7.821 1.00 0.00 C ATOM 479 CD PRO A 30 -3.217 -10.081 -7.811 1.00 0.00 C ATOM 0 HA PRO A 30 -1.860 -8.035 -9.997 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.665 -6.850 -8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.146 -7.780 -9.670 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.317 -8.516 -6.812 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.160 -9.218 -8.179 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.908 -10.332 -6.796 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.678 -10.974 -8.234 1.00 0.00 H new ATOM 487 N SER A 31 -1.400 -6.107 -8.101 1.00 0.00 N ATOM 488 CA SER A 31 -0.544 -5.207 -7.347 1.00 0.00 C ATOM 489 C SER A 31 -1.359 -4.490 -6.268 1.00 0.00 C ATOM 490 O SER A 31 -2.504 -4.854 -6.006 1.00 0.00 O ATOM 491 CB SER A 31 0.131 -4.187 -8.268 1.00 0.00 C ATOM 492 OG SER A 31 0.786 -4.813 -9.367 1.00 0.00 O ATOM 0 H SER A 31 -2.173 -5.653 -8.587 1.00 0.00 H new ATOM 0 HA SER A 31 0.237 -5.799 -6.870 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.615 -3.486 -8.642 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.855 -3.606 -7.697 1.00 0.00 H new ATOM 0 HG SER A 31 1.203 -4.129 -9.932 1.00 0.00 H new ATOM 498 N ILE A 32 -0.736 -3.484 -5.671 1.00 0.00 N ATOM 499 CA ILE A 32 -1.389 -2.714 -4.627 1.00 0.00 C ATOM 500 C ILE A 32 -2.478 -1.838 -5.251 1.00 0.00 C ATOM 501 O ILE A 32 -3.644 -1.928 -4.872 1.00 0.00 O ATOM 502 CB ILE A 32 -0.357 -1.927 -3.816 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.924 -2.742 -3.622 1.00 0.00 C ATOM 504 CG2 ILE A 32 -0.946 -1.461 -2.483 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.751 -2.194 -2.457 1.00 0.00 C ATOM 0 H ILE A 32 0.214 -3.185 -5.891 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.881 -3.377 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.089 -1.033 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.671 -3.785 -3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.517 -2.718 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.192 -0.904 -1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.806 -0.819 -2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.260 -2.328 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.656 -2.791 -2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.023 -1.158 -2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.164 -2.242 -1.540 1.00 0.00 H new ATOM 517 N LYS A 33 -2.057 -1.011 -6.196 1.00 0.00 N ATOM 518 CA LYS A 33 -2.981 -0.119 -6.875 1.00 0.00 C ATOM 519 C LYS A 33 -4.039 -0.949 -7.607 1.00 0.00 C ATOM 520 O LYS A 33 -5.221 -0.609 -7.590 1.00 0.00 O ATOM 521 CB LYS A 33 -2.223 0.849 -7.785 1.00 0.00 C ATOM 522 CG LYS A 33 -2.088 2.225 -7.131 1.00 0.00 C ATOM 523 CD LYS A 33 -0.947 2.238 -6.112 1.00 0.00 C ATOM 524 CE LYS A 33 -1.474 1.992 -4.697 1.00 0.00 C ATOM 525 NZ LYS A 33 -1.239 3.177 -3.842 1.00 0.00 N ATOM 0 H LYS A 33 -1.088 -0.940 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.507 0.505 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.233 0.448 -8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.746 0.944 -8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.905 2.979 -7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.023 2.491 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.215 1.472 -6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.431 3.197 -6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.540 1.769 -4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.981 1.121 -4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.610 2.918 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.796 3.930 -4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.146 3.517 -3.463 1.00 0.00 H new ATOM 538 N ASP A 34 -3.575 -2.022 -8.232 1.00 0.00 N ATOM 539 CA ASP A 34 -4.466 -2.903 -8.968 1.00 0.00 C ATOM 540 C ASP A 34 -5.560 -3.414 -8.029 1.00 0.00 C ATOM 541 O ASP A 34 -6.745 -3.332 -8.348 1.00 0.00 O ATOM 542 CB ASP A 34 -3.711 -4.114 -9.519 1.00 0.00 C ATOM 543 CG ASP A 34 -3.990 -4.436 -10.989 1.00 0.00 C ATOM 544 OD1 ASP A 34 -3.077 -4.431 -11.827 1.00 0.00 O ATOM 545 OD2 ASP A 34 -5.221 -4.703 -11.264 1.00 0.00 O ATOM 0 H ASP A 34 -2.594 -2.301 -8.244 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.892 -2.337 -9.796 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.641 -3.943 -9.397 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.965 -4.986 -8.917 1.00 0.00 H new ATOM 551 N VAL A 35 -5.123 -3.932 -6.891 1.00 0.00 N ATOM 552 CA VAL A 35 -6.052 -4.457 -5.903 1.00 0.00 C ATOM 553 C VAL A 35 -6.939 -3.322 -5.390 1.00 0.00 C ATOM 554 O VAL A 35 -8.096 -3.546 -5.034 1.00 0.00 O ATOM 555 CB VAL A 35 -5.281 -5.165 -4.787 1.00 0.00 C ATOM 556 CG1 VAL A 35 -6.222 -5.593 -3.658 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.501 -6.362 -5.333 1.00 0.00 C ATOM 0 H VAL A 35 -4.139 -4.000 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.707 -5.203 -6.352 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.562 -4.457 -4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.649 -6.094 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.713 -4.714 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.975 -6.276 -4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.962 -6.847 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.194 -7.073 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.790 -6.021 -6.086 1.00 0.00 H new ATOM 567 N LYS A 36 -6.366 -2.128 -5.368 1.00 0.00 N ATOM 568 CA LYS A 36 -7.091 -0.958 -4.904 1.00 0.00 C ATOM 569 C LYS A 36 -8.306 -0.727 -5.804 1.00 0.00 C ATOM 570 O LYS A 36 -9.355 -0.288 -5.337 1.00 0.00 O ATOM 571 CB LYS A 36 -6.156 0.250 -4.810 1.00 0.00 C ATOM 572 CG LYS A 36 -6.501 1.294 -5.874 1.00 0.00 C ATOM 573 CD LYS A 36 -5.342 2.273 -6.077 1.00 0.00 C ATOM 574 CE LYS A 36 -5.787 3.712 -5.813 1.00 0.00 C ATOM 575 NZ LYS A 36 -4.980 4.659 -6.613 1.00 0.00 N ATOM 0 H LYS A 36 -5.407 -1.946 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.468 -1.119 -3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.232 0.697 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.123 -0.074 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.731 0.796 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.396 1.841 -5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.521 2.014 -5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.963 2.187 -7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.842 3.824 -6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.683 3.942 -4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.295 5.631 -6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.977 4.563 -6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.100 4.449 -7.624 1.00 0.00 H new ATOM 588 N MET A 37 -8.124 -1.031 -7.080 1.00 0.00 N ATOM 589 CA MET A 37 -9.191 -0.862 -8.051 1.00 0.00 C ATOM 590 C MET A 37 -10.477 -1.542 -7.576 1.00 0.00 C ATOM 591 O MET A 37 -11.495 -0.880 -7.374 1.00 0.00 O ATOM 592 CB MET A 37 -8.763 -1.461 -9.392 1.00 0.00 C ATOM 593 CG MET A 37 -7.542 -0.731 -9.954 1.00 0.00 C ATOM 594 SD MET A 37 -7.856 -0.220 -11.635 1.00 0.00 S ATOM 595 CE MET A 37 -7.199 -1.627 -12.514 1.00 0.00 C ATOM 0 H MET A 37 -7.252 -1.394 -7.465 1.00 0.00 H new ATOM 0 HA MET A 37 -9.386 0.204 -8.166 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.532 -2.519 -9.265 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.588 -1.398 -10.102 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.312 0.138 -9.338 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.670 -1.384 -9.921 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.315 -1.473 -13.587 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.142 -1.743 -12.277 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.738 -2.526 -12.216 1.00 0.00 H new ATOM 605 N LYS A 38 -10.389 -2.853 -7.409 1.00 0.00 N ATOM 606 CA LYS A 38 -11.533 -3.629 -6.962 1.00 0.00 C ATOM 607 C LYS A 38 -11.885 -3.229 -5.528 1.00 0.00 C ATOM 608 O LYS A 38 -13.050 -2.982 -5.217 1.00 0.00 O ATOM 609 CB LYS A 38 -11.265 -5.126 -7.133 1.00 0.00 C ATOM 610 CG LYS A 38 -10.433 -5.393 -8.389 1.00 0.00 C ATOM 611 CD LYS A 38 -8.959 -5.605 -8.036 1.00 0.00 C ATOM 612 CE LYS A 38 -8.468 -6.969 -8.526 1.00 0.00 C ATOM 613 NZ LYS A 38 -8.417 -7.000 -10.004 1.00 0.00 N ATOM 0 H LYS A 38 -9.543 -3.398 -7.575 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.405 -3.412 -7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.741 -5.508 -6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.211 -5.664 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.818 -6.273 -8.904 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.529 -4.554 -9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.357 -4.815 -8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.826 -5.533 -6.957 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.478 -7.174 -8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.132 -7.753 -8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.987 -7.893 -10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.381 -6.927 -10.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.847 -6.201 -10.349 1.00 0.00 H new ATOM 626 N LEU A 39 -10.858 -3.175 -4.692 1.00 0.00 N ATOM 627 CA LEU A 39 -11.045 -2.808 -3.298 1.00 0.00 C ATOM 628 C LEU A 39 -11.834 -1.499 -3.222 1.00 0.00 C ATOM 629 O LEU A 39 -12.637 -1.307 -2.311 1.00 0.00 O ATOM 630 CB LEU A 39 -9.700 -2.760 -2.572 1.00 0.00 C ATOM 631 CG LEU A 39 -9.168 -4.098 -2.055 1.00 0.00 C ATOM 632 CD1 LEU A 39 -7.745 -3.950 -1.512 1.00 0.00 C ATOM 633 CD2 LEU A 39 -10.118 -4.702 -1.019 1.00 0.00 C ATOM 0 H LEU A 39 -9.893 -3.379 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.633 -3.565 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.959 -2.334 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.790 -2.077 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.121 -4.794 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.391 -4.916 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.087 -3.596 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.741 -3.232 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.716 -5.653 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.220 -4.018 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.095 -4.867 -1.474 1.00 0.00 H new ATOM 645 N VAL A 40 -11.575 -0.632 -4.190 1.00 0.00 N ATOM 646 CA VAL A 40 -12.250 0.654 -4.244 1.00 0.00 C ATOM 647 C VAL A 40 -13.745 0.430 -4.482 1.00 0.00 C ATOM 648 O VAL A 40 -14.581 1.089 -3.865 1.00 0.00 O ATOM 649 CB VAL A 40 -11.601 1.541 -5.307 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.579 2.607 -5.804 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.315 2.182 -4.777 1.00 0.00 C ATOM 0 H VAL A 40 -10.907 -0.795 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.147 1.180 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.336 0.908 -6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.092 3.224 -6.559 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.454 2.124 -6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.889 3.234 -4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.874 2.808 -5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.546 2.794 -3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.609 1.401 -4.495 1.00 0.00 H new ATOM 661 N ALA A 41 -14.036 -0.500 -5.379 1.00 0.00 N ATOM 662 CA ALA A 41 -15.415 -0.818 -5.708 1.00 0.00 C ATOM 663 C ALA A 41 -16.038 -1.612 -4.557 1.00 0.00 C ATOM 664 O ALA A 41 -17.251 -1.567 -4.353 1.00 0.00 O ATOM 665 CB ALA A 41 -15.462 -1.580 -7.034 1.00 0.00 C ATOM 0 H ALA A 41 -13.340 -1.044 -5.889 1.00 0.00 H new ATOM 0 HA ALA A 41 -15.999 0.093 -5.836 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.497 -1.818 -7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.034 -0.963 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.889 -2.503 -6.944 1.00 0.00 H new ATOM 671 N VAL A 42 -15.182 -2.319 -3.835 1.00 0.00 N ATOM 672 CA VAL A 42 -15.632 -3.121 -2.711 1.00 0.00 C ATOM 673 C VAL A 42 -15.907 -2.206 -1.515 1.00 0.00 C ATOM 674 O VAL A 42 -16.981 -2.265 -0.918 1.00 0.00 O ATOM 675 CB VAL A 42 -14.608 -4.214 -2.403 1.00 0.00 C ATOM 676 CG1 VAL A 42 -14.914 -4.891 -1.066 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.545 -5.241 -3.536 1.00 0.00 C ATOM 0 H VAL A 42 -14.177 -2.353 -4.007 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.565 -3.629 -2.955 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.628 -3.743 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.171 -5.664 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.884 -4.150 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.905 -5.342 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.809 -6.007 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.524 -5.704 -3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.257 -4.744 -4.462 1.00 0.00 H new ATOM 687 N LEU A 43 -14.920 -1.380 -1.204 1.00 0.00 N ATOM 688 CA LEU A 43 -15.042 -0.454 -0.090 1.00 0.00 C ATOM 689 C LEU A 43 -15.987 0.683 -0.480 1.00 0.00 C ATOM 690 O LEU A 43 -16.749 1.174 0.351 1.00 0.00 O ATOM 691 CB LEU A 43 -13.661 0.023 0.363 1.00 0.00 C ATOM 692 CG LEU A 43 -12.683 -1.069 0.802 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.465 -0.466 1.502 1.00 0.00 C ATOM 694 CD2 LEU A 43 -13.385 -2.115 1.672 1.00 0.00 C ATOM 0 H LEU A 43 -14.032 -1.332 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.481 -0.953 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.206 0.583 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.793 0.719 1.191 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.320 -1.581 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.786 -1.264 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.950 0.209 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.789 0.087 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.668 -2.880 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.794 -1.634 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.193 -2.577 1.105 1.00 0.00 H new ATOM 706 N ASN A 44 -15.910 1.069 -1.745 1.00 0.00 N ATOM 707 CA ASN A 44 -16.749 2.138 -2.255 1.00 0.00 C ATOM 708 C ASN A 44 -16.366 3.453 -1.572 1.00 0.00 C ATOM 709 O ASN A 44 -17.185 4.062 -0.886 1.00 0.00 O ATOM 710 CB ASN A 44 -18.226 1.867 -1.962 1.00 0.00 C ATOM 711 CG ASN A 44 -19.120 2.454 -3.057 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.657 2.995 -4.048 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.422 2.317 -2.825 1.00 0.00 N ATOM 0 H ASN A 44 -15.278 0.659 -2.433 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.600 2.197 -3.333 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.394 0.793 -1.887 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.494 2.299 -0.998 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.100 2.675 -3.497 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.743 1.854 -1.975 1.00 0.00 H new ATOM 720 N ALA A 45 -15.119 3.850 -1.782 1.00 0.00 N ATOM 721 CA ALA A 45 -14.617 5.080 -1.194 1.00 0.00 C ATOM 722 C ALA A 45 -13.650 5.750 -2.172 1.00 0.00 C ATOM 723 O ALA A 45 -13.446 5.260 -3.282 1.00 0.00 O ATOM 724 CB ALA A 45 -13.962 4.772 0.154 1.00 0.00 C ATOM 0 H ALA A 45 -14.442 3.342 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.434 5.777 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.585 5.695 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.698 4.324 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.136 4.077 0.007 1.00 0.00 H new ATOM 730 N ASN A 46 -13.080 6.860 -1.726 1.00 0.00 N ATOM 731 CA ASN A 46 -12.140 7.602 -2.548 1.00 0.00 C ATOM 732 C ASN A 46 -10.899 6.743 -2.798 1.00 0.00 C ATOM 733 O ASN A 46 -10.179 6.401 -1.862 1.00 0.00 O ATOM 734 CB ASN A 46 -11.693 8.887 -1.849 1.00 0.00 C ATOM 735 CG ASN A 46 -11.085 9.873 -2.850 1.00 0.00 C ATOM 736 OD1 ASN A 46 -11.071 9.649 -4.050 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.586 10.971 -2.292 1.00 0.00 N ATOM 0 H ASN A 46 -13.252 7.263 -0.805 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.637 7.855 -3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.545 9.349 -1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.961 8.650 -1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.158 11.690 -2.875 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.631 11.095 -1.281 1.00 0.00 H new ATOM 744 N LYS A 47 -10.689 6.419 -4.066 1.00 0.00 N ATOM 745 CA LYS A 47 -9.547 5.607 -4.450 1.00 0.00 C ATOM 746 C LYS A 47 -8.278 6.458 -4.390 1.00 0.00 C ATOM 747 O LYS A 47 -7.192 5.942 -4.127 1.00 0.00 O ATOM 748 CB LYS A 47 -9.787 4.956 -5.814 1.00 0.00 C ATOM 749 CG LYS A 47 -9.914 6.016 -6.911 1.00 0.00 C ATOM 750 CD LYS A 47 -10.110 5.365 -8.282 1.00 0.00 C ATOM 751 CE LYS A 47 -8.802 5.352 -9.076 1.00 0.00 C ATOM 752 NZ LYS A 47 -9.075 5.184 -10.521 1.00 0.00 N ATOM 0 H LYS A 47 -11.290 6.704 -4.839 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.412 4.784 -3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.964 4.281 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.694 4.353 -5.779 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.757 6.672 -6.692 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.020 6.639 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.473 4.345 -8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.873 5.908 -8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.258 6.282 -8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.164 4.542 -8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.177 5.177 -11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.574 4.285 -10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.666 5.971 -10.856 1.00 0.00 H new ATOM 765 N GLN A 48 -8.455 7.747 -4.637 1.00 0.00 N ATOM 766 CA GLN A 48 -7.337 8.674 -4.614 1.00 0.00 C ATOM 767 C GLN A 48 -6.549 8.525 -3.311 1.00 0.00 C ATOM 768 O GLN A 48 -5.353 8.239 -3.334 1.00 0.00 O ATOM 769 CB GLN A 48 -7.815 10.115 -4.803 1.00 0.00 C ATOM 770 CG GLN A 48 -8.248 10.364 -6.250 1.00 0.00 C ATOM 771 CD GLN A 48 -8.176 11.853 -6.595 1.00 0.00 C ATOM 772 OE1 GLN A 48 -8.060 12.711 -5.736 1.00 0.00 O ATOM 773 NE2 GLN A 48 -8.252 12.111 -7.898 1.00 0.00 N ATOM 0 H GLN A 48 -9.357 8.172 -4.854 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.675 8.433 -5.446 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.649 10.317 -4.130 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.015 10.805 -4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.608 9.799 -6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.266 10.002 -6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.348 11.345 -8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.214 13.075 -8.230 1.00 0.00 H new ATOM 782 N VAL A 49 -7.253 8.723 -2.206 1.00 0.00 N ATOM 783 CA VAL A 49 -6.635 8.614 -0.896 1.00 0.00 C ATOM 784 C VAL A 49 -6.894 7.217 -0.329 1.00 0.00 C ATOM 785 O VAL A 49 -7.385 7.078 0.790 1.00 0.00 O ATOM 786 CB VAL A 49 -7.141 9.733 0.017 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.812 11.108 -0.566 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.643 9.593 0.274 1.00 0.00 C ATOM 0 H VAL A 49 -8.245 8.958 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.555 8.739 -0.972 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.626 9.643 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.183 11.885 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.732 11.208 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.286 11.212 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.977 10.400 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.180 9.644 -0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.842 8.634 0.753 1.00 0.00 H new ATOM 798 N LEU A 50 -6.553 6.217 -1.128 1.00 0.00 N ATOM 799 CA LEU A 50 -6.742 4.835 -0.721 1.00 0.00 C ATOM 800 C LEU A 50 -5.480 4.034 -1.045 1.00 0.00 C ATOM 801 O LEU A 50 -4.923 4.161 -2.134 1.00 0.00 O ATOM 802 CB LEU A 50 -8.014 4.260 -1.349 1.00 0.00 C ATOM 803 CG LEU A 50 -8.254 2.765 -1.130 1.00 0.00 C ATOM 804 CD1 LEU A 50 -9.731 2.482 -0.852 1.00 0.00 C ATOM 805 CD2 LEU A 50 -7.726 1.947 -2.311 1.00 0.00 C ATOM 0 H LEU A 50 -6.147 6.336 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.890 4.773 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.870 4.807 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.983 4.449 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.695 2.455 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.874 1.412 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.042 3.021 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.331 2.811 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.909 0.888 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.238 2.253 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.655 2.117 -2.421 1.00 0.00 H new ATOM 817 N VAL A 51 -5.066 3.227 -0.080 1.00 0.00 N ATOM 818 CA VAL A 51 -3.879 2.406 -0.248 1.00 0.00 C ATOM 819 C VAL A 51 -3.993 1.163 0.637 1.00 0.00 C ATOM 820 O VAL A 51 -4.942 1.032 1.409 1.00 0.00 O ATOM 821 CB VAL A 51 -2.625 3.232 0.040 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.447 2.759 -0.814 1.00 0.00 C ATOM 823 CG2 VAL A 51 -2.891 4.724 -0.169 1.00 0.00 C ATOM 0 H VAL A 51 -5.532 3.124 0.822 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.796 2.064 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.359 3.083 1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.568 3.364 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.234 1.713 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.698 2.863 -1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.983 5.289 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.195 4.898 -1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.685 5.050 0.503 1.00 0.00 H new ATOM 833 N VAL A 52 -3.013 0.283 0.497 1.00 0.00 N ATOM 834 CA VAL A 52 -2.992 -0.944 1.274 1.00 0.00 C ATOM 835 C VAL A 52 -1.878 -0.862 2.319 1.00 0.00 C ATOM 836 O VAL A 52 -0.918 -0.110 2.151 1.00 0.00 O ATOM 837 CB VAL A 52 -2.850 -2.151 0.344 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.106 -3.294 1.038 1.00 0.00 C ATOM 839 CG2 VAL A 52 -4.217 -2.615 -0.163 1.00 0.00 C ATOM 0 H VAL A 52 -2.227 0.396 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.933 -1.072 1.810 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.259 -1.842 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.019 -4.139 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.111 -2.957 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.658 -3.601 1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.088 -3.474 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.842 -2.898 0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.695 -1.804 -0.713 1.00 0.00 H new ATOM 849 N ASP A 53 -2.042 -1.644 3.376 1.00 0.00 N ATOM 850 CA ASP A 53 -1.062 -1.669 4.448 1.00 0.00 C ATOM 851 C ASP A 53 -0.132 -2.869 4.257 1.00 0.00 C ATOM 852 O ASP A 53 1.083 -2.709 4.167 1.00 0.00 O ATOM 853 CB ASP A 53 -1.741 -1.809 5.812 1.00 0.00 C ATOM 854 CG ASP A 53 -1.606 -0.594 6.731 1.00 0.00 C ATOM 855 OD1 ASP A 53 -1.754 0.557 6.292 1.00 0.00 O ATOM 856 OD2 ASP A 53 -1.334 -0.867 7.961 1.00 0.00 O ATOM 0 H ASP A 53 -2.839 -2.265 3.513 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.505 -0.733 4.417 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.801 -2.010 5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.324 -2.678 6.321 1.00 0.00 H new ATOM 862 N THR A 54 -0.741 -4.045 4.200 1.00 0.00 N ATOM 863 CA THR A 54 0.016 -5.272 4.021 1.00 0.00 C ATOM 864 C THR A 54 -0.922 -6.436 3.697 1.00 0.00 C ATOM 865 O THR A 54 -2.138 -6.317 3.843 1.00 0.00 O ATOM 866 CB THR A 54 0.854 -5.499 5.280 1.00 0.00 C ATOM 867 OG1 THR A 54 2.088 -4.841 5.001 1.00 0.00 O ATOM 868 CG2 THR A 54 1.248 -6.965 5.466 1.00 0.00 C ATOM 0 H THR A 54 -1.750 -4.174 4.275 1.00 0.00 H new ATOM 0 HA THR A 54 0.694 -5.197 3.171 1.00 0.00 H new ATOM 0 HB THR A 54 0.295 -5.160 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.935 -4.118 4.357 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.841 -7.070 6.374 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.349 -7.576 5.547 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.835 -7.296 4.609 1.00 0.00 H new ATOM 876 N LEU A 55 -0.322 -7.535 3.265 1.00 0.00 N ATOM 877 CA LEU A 55 -1.089 -8.719 2.920 1.00 0.00 C ATOM 878 C LEU A 55 -0.227 -9.964 3.144 1.00 0.00 C ATOM 879 O LEU A 55 0.970 -9.855 3.404 1.00 0.00 O ATOM 880 CB LEU A 55 -1.644 -8.604 1.499 1.00 0.00 C ATOM 881 CG LEU A 55 -2.948 -9.355 1.224 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.016 -8.413 0.666 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.707 -10.555 0.306 1.00 0.00 C ATOM 0 H LEU A 55 0.687 -7.630 3.146 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.959 -8.811 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.802 -7.549 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.886 -8.966 0.804 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.324 -9.744 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.933 -8.972 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.215 -7.620 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.662 -7.974 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.650 -11.071 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.296 -10.210 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.003 -11.240 0.779 1.00 0.00 H new ATOM 895 N ASP A 56 -0.870 -11.117 3.037 1.00 0.00 N ATOM 896 CA ASP A 56 -0.177 -12.381 3.225 1.00 0.00 C ATOM 897 C ASP A 56 -0.897 -13.475 2.435 1.00 0.00 C ATOM 898 O ASP A 56 -2.110 -13.637 2.556 1.00 0.00 O ATOM 899 CB ASP A 56 -0.168 -12.790 4.699 1.00 0.00 C ATOM 900 CG ASP A 56 1.195 -12.704 5.387 1.00 0.00 C ATOM 901 OD1 ASP A 56 1.665 -11.612 5.740 1.00 0.00 O ATOM 902 OD2 ASP A 56 1.791 -13.835 5.558 1.00 0.00 O ATOM 0 H ASP A 56 -1.863 -11.203 2.823 1.00 0.00 H new ATOM 0 HA ASP A 56 0.849 -12.258 2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.871 -12.157 5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.534 -13.814 4.778 1.00 0.00 H new ATOM 908 N GLN A 57 -0.120 -14.197 1.642 1.00 0.00 N ATOM 909 CA GLN A 57 -0.667 -15.271 0.832 1.00 0.00 C ATOM 910 C GLN A 57 -0.847 -16.534 1.676 1.00 0.00 C ATOM 911 O GLN A 57 -0.068 -16.788 2.594 1.00 0.00 O ATOM 912 CB GLN A 57 0.218 -15.546 -0.385 1.00 0.00 C ATOM 913 CG GLN A 57 -0.541 -16.348 -1.446 1.00 0.00 C ATOM 914 CD GLN A 57 0.303 -17.517 -1.957 1.00 0.00 C ATOM 915 OE1 GLN A 57 1.522 -17.504 -1.909 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.412 -18.525 -2.449 1.00 0.00 N ATOM 0 H GLN A 57 0.886 -14.059 1.543 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.645 -14.960 0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.559 -14.603 -0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.107 -16.096 -0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.473 -16.725 -1.025 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.808 -15.696 -2.278 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.431 -18.471 -2.459 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.058 -19.352 -2.816 1.00 0.00 H new ATOM 925 N ILE A 58 -1.878 -17.294 1.335 1.00 0.00 N ATOM 926 CA ILE A 58 -2.169 -18.524 2.051 1.00 0.00 C ATOM 927 C ILE A 58 -1.513 -19.700 1.324 1.00 0.00 C ATOM 928 O ILE A 58 -1.505 -19.747 0.094 1.00 0.00 O ATOM 929 CB ILE A 58 -3.679 -18.687 2.245 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.309 -17.389 2.753 1.00 0.00 C ATOM 931 CG2 ILE A 58 -3.989 -19.872 3.162 1.00 0.00 C ATOM 932 CD1 ILE A 58 -4.350 -17.361 4.282 1.00 0.00 C ATOM 0 H ILE A 58 -2.522 -17.081 0.573 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.743 -18.490 3.054 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.127 -18.905 1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.739 -16.536 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.320 -17.292 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.068 -19.966 3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.593 -20.787 2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.527 -19.709 4.136 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.802 -16.428 4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.941 -18.202 4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.336 -17.434 4.675 1.00 0.00 H new ATOM 944 N PHE A 59 -0.979 -20.619 2.114 1.00 0.00 N ATOM 945 CA PHE A 59 -0.321 -21.791 1.562 1.00 0.00 C ATOM 946 C PHE A 59 -1.323 -22.922 1.326 1.00 0.00 C ATOM 947 O PHE A 59 -1.252 -23.620 0.316 1.00 0.00 O ATOM 948 CB PHE A 59 0.715 -22.249 2.589 1.00 0.00 C ATOM 949 CG PHE A 59 1.503 -23.492 2.168 1.00 0.00 C ATOM 950 CD1 PHE A 59 1.265 -24.686 2.773 1.00 0.00 C ATOM 951 CD2 PHE A 59 2.441 -23.401 1.187 1.00 0.00 C ATOM 952 CE1 PHE A 59 1.996 -25.838 2.382 1.00 0.00 C ATOM 953 CE2 PHE A 59 3.172 -24.554 0.795 1.00 0.00 C ATOM 954 CZ PHE A 59 2.934 -25.748 1.401 1.00 0.00 C ATOM 0 H PHE A 59 -0.988 -20.576 3.133 1.00 0.00 H new ATOM 0 HA PHE A 59 0.138 -21.543 0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.414 -21.433 2.773 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.210 -22.454 3.533 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.520 -24.758 3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.630 -22.452 0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.807 -26.786 2.863 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.917 -24.483 0.016 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.490 -26.625 1.103 1.00 0.00 H new ATOM 964 N GLY A 60 -2.236 -23.069 2.277 1.00 0.00 N ATOM 965 CA GLY A 60 -3.251 -24.103 2.186 1.00 0.00 C ATOM 966 C GLY A 60 -3.891 -24.124 0.796 1.00 0.00 C ATOM 967 O GLY A 60 -3.761 -25.103 0.063 1.00 0.00 O ATOM 0 H GLY A 60 -2.293 -22.488 3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.805 -25.075 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.018 -23.931 2.941 1.00 0.00 H new ATOM 971 N LYS A 61 -4.567 -23.031 0.475 1.00 0.00 N ATOM 972 CA LYS A 61 -5.227 -22.911 -0.815 1.00 0.00 C ATOM 973 C LYS A 61 -4.661 -21.703 -1.562 1.00 0.00 C ATOM 974 O LYS A 61 -3.527 -21.291 -1.316 1.00 0.00 O ATOM 975 CB LYS A 61 -6.746 -22.869 -0.638 1.00 0.00 C ATOM 976 CG LYS A 61 -7.191 -21.532 -0.043 1.00 0.00 C ATOM 977 CD LYS A 61 -8.702 -21.342 -0.190 1.00 0.00 C ATOM 978 CE LYS A 61 -9.435 -21.767 1.083 1.00 0.00 C ATOM 979 NZ LYS A 61 -10.630 -20.921 1.301 1.00 0.00 N ATOM 0 H LYS A 61 -4.672 -22.220 1.085 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.025 -23.789 -1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.232 -23.022 -1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.063 -23.684 0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.916 -21.490 1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.668 -20.716 -0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.921 -20.297 -0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.065 -21.927 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.732 -22.813 1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.765 -21.688 1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.116 -21.223 2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.339 -19.927 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.276 -21.017 0.492 1.00 0.00 H new ATOM 992 N LEU A 62 -5.475 -21.167 -2.460 1.00 0.00 N ATOM 993 CA LEU A 62 -5.070 -20.013 -3.245 1.00 0.00 C ATOM 994 C LEU A 62 -5.750 -18.761 -2.691 1.00 0.00 C ATOM 995 O LEU A 62 -6.405 -18.027 -3.430 1.00 0.00 O ATOM 996 CB LEU A 62 -5.341 -20.254 -4.731 1.00 0.00 C ATOM 997 CG LEU A 62 -4.765 -21.545 -5.317 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.783 -22.236 -6.227 1.00 0.00 C ATOM 999 CD2 LEU A 62 -3.441 -21.279 -6.036 1.00 0.00 C ATOM 0 H LEU A 62 -6.414 -21.511 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.995 -19.855 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.420 -20.257 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.939 -19.412 -5.295 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.552 -22.228 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.349 -23.151 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.677 -22.481 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.050 -21.569 -7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.054 -22.213 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.604 -20.570 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.721 -20.864 -5.331 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.572 -18.553 -1.394 1.00 0.00 N ATOM 1012 CA GLU A 63 -6.162 -17.401 -0.733 1.00 0.00 C ATOM 1013 C GLU A 63 -5.067 -16.520 -0.128 1.00 0.00 C ATOM 1014 O GLU A 63 -3.955 -16.984 0.118 1.00 0.00 O ATOM 1015 CB GLU A 63 -7.167 -17.837 0.335 1.00 0.00 C ATOM 1016 CG GLU A 63 -8.077 -16.676 0.738 1.00 0.00 C ATOM 1017 CD GLU A 63 -7.741 -16.179 2.146 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -8.336 -16.649 3.127 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -6.827 -15.272 2.200 1.00 0.00 O ATOM 0 H GLU A 63 -5.028 -19.163 -0.784 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.703 -16.816 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.770 -18.662 -0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.634 -18.207 1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.968 -15.859 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.118 -16.995 0.700 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.421 -15.262 0.096 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.483 -14.311 0.667 1.00 0.00 C ATOM 1029 C ALA A 64 -5.244 -13.319 1.549 1.00 0.00 C ATOM 1030 O ALA A 64 -6.205 -12.695 1.102 1.00 0.00 O ATOM 1031 CB ALA A 64 -3.710 -13.618 -0.456 1.00 0.00 C ATOM 0 H ALA A 64 -6.345 -14.880 -0.108 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.754 -14.822 1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.006 -12.905 -0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.164 -14.363 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.408 -13.092 -1.107 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.785 -13.205 2.787 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.410 -12.299 3.736 1.00 0.00 C ATOM 1039 C GLU A 65 -4.542 -11.054 3.931 1.00 0.00 C ATOM 1040 O GLU A 65 -3.316 -11.146 3.960 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.673 -12.999 5.070 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.679 -12.212 5.913 1.00 0.00 C ATOM 1043 CD GLU A 65 -6.373 -12.354 7.406 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -5.570 -11.581 7.950 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -7.004 -13.307 8.003 1.00 0.00 O ATOM 0 H GLU A 65 -3.988 -13.725 3.155 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.373 -11.987 3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.053 -14.004 4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.738 -13.106 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.651 -11.160 5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.688 -12.570 5.709 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.214 -9.919 4.061 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.519 -8.656 4.253 1.00 0.00 C ATOM 1055 C GLY A 66 -5.454 -7.601 4.847 1.00 0.00 C ATOM 1056 O GLY A 66 -6.656 -7.831 4.972 1.00 0.00 O ATOM 0 H GLY A 66 -6.231 -9.847 4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.665 -8.804 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.127 -8.304 3.299 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.866 -6.467 5.197 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.632 -5.375 5.775 1.00 0.00 C ATOM 1062 C TYR A 67 -5.431 -4.083 4.981 1.00 0.00 C ATOM 1063 O TYR A 67 -4.314 -3.768 4.575 1.00 0.00 O ATOM 1064 CB TYR A 67 -5.086 -5.180 7.192 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.324 -3.781 7.763 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -6.537 -3.470 8.341 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -4.326 -2.831 7.700 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -6.762 -2.152 8.879 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -4.550 -1.513 8.238 1.00 0.00 C ATOM 1070 CZ TYR A 67 -5.757 -1.239 8.801 1.00 0.00 C ATOM 1071 OH TYR A 67 -5.970 0.004 9.309 1.00 0.00 O ATOM 0 H TYR A 67 -3.869 -6.280 5.092 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.697 -5.607 5.766 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.547 -5.914 7.852 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.015 -5.383 7.189 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.318 -4.214 8.390 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.376 -3.075 7.247 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.707 -1.895 9.334 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.777 -0.760 8.195 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.166 0.550 9.185 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.529 -3.370 4.784 1.00 0.00 N ATOM 1082 CA ALA A 68 -6.488 -2.119 4.045 1.00 0.00 C ATOM 1083 C ALA A 68 -6.566 -0.950 5.028 1.00 0.00 C ATOM 1084 O ALA A 68 -6.978 -1.122 6.174 1.00 0.00 O ATOM 1085 CB ALA A 68 -7.621 -2.095 3.017 1.00 0.00 C ATOM 0 H ALA A 68 -7.454 -3.634 5.123 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.550 -2.027 3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.590 -1.157 2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.502 -2.929 2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.579 -2.182 3.529 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.164 0.216 4.543 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.184 1.415 5.364 1.00 0.00 C ATOM 1093 C LYS A 69 -6.626 2.605 4.511 1.00 0.00 C ATOM 1094 O LYS A 69 -6.377 2.638 3.307 1.00 0.00 O ATOM 1095 CB LYS A 69 -4.830 1.618 6.048 1.00 0.00 C ATOM 1096 CG LYS A 69 -4.730 3.017 6.662 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.175 4.021 5.651 1.00 0.00 C ATOM 1098 CE LYS A 69 -2.656 4.146 5.780 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.173 5.353 5.071 1.00 0.00 N ATOM 0 H LYS A 69 -5.823 0.356 3.592 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.911 1.313 6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.694 0.865 6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.028 1.477 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.715 3.341 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.086 2.987 7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.433 3.705 4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.638 4.995 5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.378 4.199 6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.176 3.258 5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.301 5.125 4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.900 5.676 4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.979 6.107 5.761 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.276 3.556 5.169 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.755 4.745 4.485 1.00 0.00 C ATOM 1114 C ILE A 70 -7.639 5.948 5.423 1.00 0.00 C ATOM 1115 O ILE A 70 -7.879 5.830 6.623 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.170 4.520 3.946 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -9.158 3.544 2.768 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -9.837 5.848 3.585 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -10.579 3.103 2.407 1.00 0.00 C ATOM 0 H ILE A 70 -7.481 3.526 6.168 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.137 4.958 3.613 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.769 4.065 4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.689 4.016 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.555 2.671 3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.841 5.659 3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.898 6.478 4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.249 6.355 2.820 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.542 2.410 1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.036 2.610 3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.172 3.975 2.132 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.269 7.079 4.840 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.118 8.302 5.608 1.00 0.00 C ATOM 1133 C TYR A 71 -8.092 9.379 5.121 1.00 0.00 C ATOM 1134 O TYR A 71 -8.927 9.121 4.256 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.685 8.780 5.363 1.00 0.00 C ATOM 1136 CG TYR A 71 -5.031 9.433 6.582 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -4.901 10.806 6.641 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -4.571 8.651 7.622 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -4.285 11.421 7.789 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -3.955 9.266 8.768 1.00 0.00 C ATOM 1141 CZ TYR A 71 -3.843 10.622 8.795 1.00 0.00 C ATOM 1142 OH TYR A 71 -3.260 11.203 9.878 1.00 0.00 O ATOM 0 H TYR A 71 -7.069 7.173 3.844 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.324 8.120 6.663 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.078 7.931 5.049 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.686 9.493 4.538 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.261 11.419 5.827 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.673 7.577 7.576 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.177 12.494 7.849 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.590 8.665 9.588 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.861 11.883 10.248 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.951 10.563 5.700 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.807 11.679 5.337 1.00 0.00 C ATOM 1154 C ASN A 72 -8.012 12.670 4.484 1.00 0.00 C ATOM 1155 O ASN A 72 -8.415 12.999 3.370 1.00 0.00 O ATOM 1156 CB ASN A 72 -9.305 12.419 6.579 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.735 12.003 6.929 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.703 12.657 6.578 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.813 10.881 7.639 1.00 0.00 N ATOM 0 H ASN A 72 -7.257 10.773 6.417 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.661 11.283 4.787 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.645 12.209 7.421 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.268 13.494 6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.724 10.519 7.923 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.962 10.382 7.900 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.896 13.118 5.041 1.00 0.00 N ATOM 1167 CA ASP A 73 -6.040 14.063 4.345 1.00 0.00 C ATOM 1168 C ASP A 73 -4.586 13.601 4.449 1.00 0.00 C ATOM 1169 O ASP A 73 -4.112 13.268 5.534 1.00 0.00 O ATOM 1170 CB ASP A 73 -6.138 15.456 4.969 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.638 15.484 6.415 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -6.273 14.626 7.233 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -7.445 16.450 6.695 1.00 0.00 O ATOM 0 H ASP A 73 -6.565 12.844 5.966 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.364 14.109 3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.154 15.924 4.932 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.804 16.065 4.358 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.917 13.595 3.304 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.526 13.179 3.253 1.00 0.00 C ATOM 1181 C GLU A 74 -1.657 14.126 4.082 1.00 0.00 C ATOM 1182 O GLU A 74 -0.546 13.772 4.473 1.00 0.00 O ATOM 1183 CB GLU A 74 -2.029 13.104 1.807 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.938 12.208 0.962 1.00 0.00 C ATOM 1185 CD GLU A 74 -2.467 12.170 -0.494 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -2.837 13.048 -1.288 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -1.689 11.184 -0.791 1.00 0.00 O ATOM 0 H GLU A 74 -4.313 13.872 2.406 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.451 12.180 3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.997 14.105 1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.010 12.716 1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.944 11.198 1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.963 12.577 1.007 1.00 0.00 H new ATOM 1195 N LYS A 75 -2.196 15.310 4.327 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.484 16.312 5.102 1.00 0.00 C ATOM 1197 C LYS A 75 -1.137 15.734 6.476 1.00 0.00 C ATOM 1198 O LYS A 75 0.011 15.806 6.912 1.00 0.00 O ATOM 1199 CB LYS A 75 -2.288 17.611 5.168 1.00 0.00 C ATOM 1200 CG LYS A 75 -2.129 18.420 3.879 1.00 0.00 C ATOM 1201 CD LYS A 75 -1.178 19.600 4.086 1.00 0.00 C ATOM 1202 CE LYS A 75 0.255 19.117 4.313 1.00 0.00 C ATOM 1203 NZ LYS A 75 1.226 20.105 3.792 1.00 0.00 N ATOM 0 H LYS A 75 -3.119 15.599 4.002 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.543 16.572 4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.341 17.383 5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.955 18.206 6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.748 17.776 3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.103 18.786 3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.211 20.255 3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.506 20.190 4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.426 18.957 5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.404 18.157 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.194 19.760 3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.073 20.238 2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.095 21.013 4.283 1.00 0.00 H new ATOM 1216 N ALA A 76 -2.151 15.173 7.120 1.00 0.00 N ATOM 1217 CA ALA A 76 -1.966 14.583 8.435 1.00 0.00 C ATOM 1218 C ALA A 76 -1.169 13.285 8.300 1.00 0.00 C ATOM 1219 O ALA A 76 -0.154 13.102 8.971 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.331 14.363 9.091 1.00 0.00 C ATOM 0 H ALA A 76 -3.102 15.115 6.756 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.397 15.253 9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.193 13.920 10.078 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.845 15.319 9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.928 13.693 8.473 1.00 0.00 H new ATOM 1226 N MET A 77 -1.657 12.416 7.427 1.00 0.00 N ATOM 1227 CA MET A 77 -1.003 11.139 7.196 1.00 0.00 C ATOM 1228 C MET A 77 0.486 11.333 6.901 1.00 0.00 C ATOM 1229 O MET A 77 1.329 10.628 7.456 1.00 0.00 O ATOM 1230 CB MET A 77 -1.668 10.431 6.014 1.00 0.00 C ATOM 1231 CG MET A 77 -0.666 9.549 5.268 1.00 0.00 C ATOM 1232 SD MET A 77 -1.527 8.274 4.365 1.00 0.00 S ATOM 1233 CE MET A 77 -2.038 9.202 2.927 1.00 0.00 C ATOM 0 H MET A 77 -2.498 12.571 6.871 1.00 0.00 H new ATOM 0 HA MET A 77 -1.102 10.533 8.097 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.498 9.822 6.371 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.086 11.171 5.331 1.00 0.00 H new ATOM 0 HG2 MET A 77 -0.075 10.156 4.582 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.030 9.098 5.975 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.318 8.513 2.130 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.893 9.828 3.183 1.00 0.00 H new ATOM 0 HE3 MET A 77 -1.215 9.832 2.589 1.00 0.00 H new ATOM 1243 N ALA A 78 0.766 12.290 6.030 1.00 0.00 N ATOM 1244 CA ALA A 78 2.138 12.585 5.656 1.00 0.00 C ATOM 1245 C ALA A 78 2.962 12.845 6.919 1.00 0.00 C ATOM 1246 O ALA A 78 4.168 12.598 6.940 1.00 0.00 O ATOM 1247 CB ALA A 78 2.161 13.772 4.691 1.00 0.00 C ATOM 0 H ALA A 78 0.065 12.872 5.572 1.00 0.00 H new ATOM 0 HA ALA A 78 2.585 11.736 5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.191 13.993 4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.587 13.526 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.722 14.644 5.176 1.00 0.00 H new ATOM 1253 N THR A 79 2.279 13.339 7.941 1.00 0.00 N ATOM 1254 CA THR A 79 2.933 13.633 9.205 1.00 0.00 C ATOM 1255 C THR A 79 2.830 12.436 10.151 1.00 0.00 C ATOM 1256 O THR A 79 3.845 11.864 10.547 1.00 0.00 O ATOM 1257 CB THR A 79 2.311 14.911 9.773 1.00 0.00 C ATOM 1258 OG1 THR A 79 2.851 15.951 8.961 1.00 0.00 O ATOM 1259 CG2 THR A 79 2.818 15.235 11.179 1.00 0.00 C ATOM 0 H THR A 79 1.280 13.543 7.920 1.00 0.00 H new ATOM 0 HA THR A 79 4.000 13.806 9.066 1.00 0.00 H new ATOM 0 HB THR A 79 1.226 14.808 9.794 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.499 16.815 9.259 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.345 16.151 11.534 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.572 14.414 11.853 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.899 15.371 11.153 1.00 0.00 H new ATOM 1267 N ILE A 80 1.595 12.092 10.487 1.00 0.00 N ATOM 1268 CA ILE A 80 1.347 10.973 11.380 1.00 0.00 C ATOM 1269 C ILE A 80 2.120 9.749 10.883 1.00 0.00 C ATOM 1270 O ILE A 80 3.180 9.423 11.415 1.00 0.00 O ATOM 1271 CB ILE A 80 -0.156 10.731 11.530 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -0.783 11.750 12.485 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -0.440 9.291 11.962 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -2.270 11.460 12.697 1.00 0.00 C ATOM 0 H ILE A 80 0.756 12.569 10.157 1.00 0.00 H new ATOM 0 HA ILE A 80 1.713 11.197 12.382 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.623 10.873 10.555 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.264 11.724 13.443 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.659 12.755 12.083 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.516 9.146 12.061 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.049 8.603 11.213 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.042 9.097 12.920 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.691 12.198 13.379 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.791 11.511 11.741 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.389 10.463 13.122 1.00 0.00 H new ATOM 1286 N GLU A 81 1.560 9.106 9.871 1.00 0.00 N ATOM 1287 CA GLU A 81 2.183 7.926 9.296 1.00 0.00 C ATOM 1288 C GLU A 81 3.677 8.168 9.078 1.00 0.00 C ATOM 1289 O GLU A 81 4.157 9.291 9.229 1.00 0.00 O ATOM 1290 CB GLU A 81 1.496 7.523 7.990 1.00 0.00 C ATOM 1291 CG GLU A 81 0.279 6.636 8.261 1.00 0.00 C ATOM 1292 CD GLU A 81 -1.005 7.467 8.306 1.00 0.00 C ATOM 1293 OE1 GLU A 81 -1.030 8.537 8.933 1.00 0.00 O ATOM 1294 OE2 GLU A 81 -2.002 6.965 7.659 1.00 0.00 O ATOM 0 H GLU A 81 0.680 9.380 9.433 1.00 0.00 H new ATOM 0 HA GLU A 81 2.067 7.100 9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.186 8.416 7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.203 6.992 7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.198 5.876 7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.410 6.111 9.207 1.00 0.00 H new ATOM 1302 N THR A 82 4.373 7.097 8.725 1.00 0.00 N ATOM 1303 CA THR A 82 5.803 7.179 8.484 1.00 0.00 C ATOM 1304 C THR A 82 6.123 6.801 7.036 1.00 0.00 C ATOM 1305 O THR A 82 5.266 6.284 6.322 1.00 0.00 O ATOM 1306 CB THR A 82 6.509 6.293 9.513 1.00 0.00 C ATOM 1307 OG1 THR A 82 5.824 5.046 9.425 1.00 0.00 O ATOM 1308 CG2 THR A 82 6.259 6.753 10.951 1.00 0.00 C ATOM 0 H THR A 82 3.972 6.167 8.600 1.00 0.00 H new ATOM 0 HA THR A 82 6.166 8.199 8.609 1.00 0.00 H new ATOM 0 HB THR A 82 7.581 6.288 9.314 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.219 4.411 10.058 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.782 6.091 11.641 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.627 7.771 11.076 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.190 6.725 11.161 1.00 0.00 H new ATOM 1316 N LYS A 83 7.359 7.075 6.646 1.00 0.00 N ATOM 1317 CA LYS A 83 7.803 6.770 5.296 1.00 0.00 C ATOM 1318 C LYS A 83 7.485 5.308 4.977 1.00 0.00 C ATOM 1319 O LYS A 83 7.394 4.928 3.811 1.00 0.00 O ATOM 1320 CB LYS A 83 9.280 7.130 5.123 1.00 0.00 C ATOM 1321 CG LYS A 83 10.181 6.066 5.753 1.00 0.00 C ATOM 1322 CD LYS A 83 10.454 6.379 7.225 1.00 0.00 C ATOM 1323 CE LYS A 83 11.954 6.515 7.488 1.00 0.00 C ATOM 1324 NZ LYS A 83 12.328 5.816 8.738 1.00 0.00 N ATOM 0 H LYS A 83 8.067 7.505 7.241 1.00 0.00 H new ATOM 0 HA LYS A 83 7.263 7.379 4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.513 7.227 4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.478 8.098 5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.708 5.087 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.124 6.014 5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.947 7.303 7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.042 5.588 7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.515 6.100 6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.222 7.569 7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.350 5.919 8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.807 6.230 9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.090 4.807 8.656 1.00 0.00 H new ATOM 1337 N SER A 84 7.325 4.526 6.035 1.00 0.00 N ATOM 1338 CA SER A 84 7.019 3.114 5.883 1.00 0.00 C ATOM 1339 C SER A 84 5.631 2.943 5.263 1.00 0.00 C ATOM 1340 O SER A 84 5.460 2.174 4.318 1.00 0.00 O ATOM 1341 CB SER A 84 7.094 2.386 7.227 1.00 0.00 C ATOM 1342 OG SER A 84 8.258 1.572 7.328 1.00 0.00 O ATOM 0 H SER A 84 7.402 4.844 7.001 1.00 0.00 H new ATOM 0 HA SER A 84 7.763 2.672 5.220 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.091 3.117 8.036 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.206 1.767 7.354 1.00 0.00 H new ATOM 0 HG SER A 84 8.270 1.126 8.200 1.00 0.00 H new ATOM 1348 N VAL A 85 4.676 3.672 5.820 1.00 0.00 N ATOM 1349 CA VAL A 85 3.307 3.611 5.333 1.00 0.00 C ATOM 1350 C VAL A 85 3.229 4.283 3.961 1.00 0.00 C ATOM 1351 O VAL A 85 2.569 3.776 3.054 1.00 0.00 O ATOM 1352 CB VAL A 85 2.359 4.233 6.359 1.00 0.00 C ATOM 1353 CG1 VAL A 85 0.951 4.388 5.781 1.00 0.00 C ATOM 1354 CG2 VAL A 85 2.334 3.414 7.651 1.00 0.00 C ATOM 0 H VAL A 85 4.822 4.308 6.604 1.00 0.00 H new ATOM 0 HA VAL A 85 2.992 2.575 5.206 1.00 0.00 H new ATOM 0 HB VAL A 85 2.734 5.228 6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.297 4.833 6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.987 5.033 4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.565 3.409 5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.652 3.879 8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.996 2.401 7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.336 3.378 8.079 1.00 0.00 H new ATOM 1364 N LEU A 86 3.910 5.414 3.852 1.00 0.00 N ATOM 1365 CA LEU A 86 3.925 6.162 2.606 1.00 0.00 C ATOM 1366 C LEU A 86 4.774 5.412 1.576 1.00 0.00 C ATOM 1367 O LEU A 86 4.631 5.626 0.374 1.00 0.00 O ATOM 1368 CB LEU A 86 4.381 7.601 2.850 1.00 0.00 C ATOM 1369 CG LEU A 86 3.347 8.535 3.482 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.281 7.741 4.238 1.00 0.00 C ATOM 1371 CD2 LEU A 86 4.023 9.579 4.373 1.00 0.00 C ATOM 0 H LEU A 86 4.456 5.831 4.606 1.00 0.00 H new ATOM 0 HA LEU A 86 2.918 6.238 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.261 7.578 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.693 8.029 1.897 1.00 0.00 H new ATOM 0 HG LEU A 86 2.840 9.074 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.559 8.429 4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.770 7.070 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.754 7.158 5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.266 10.230 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.573 9.077 5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.713 10.175 3.776 1.00 0.00 H new ATOM 1383 N GLU A 87 5.641 4.549 2.087 1.00 0.00 N ATOM 1384 CA GLU A 87 6.514 3.768 1.229 1.00 0.00 C ATOM 1385 C GLU A 87 5.685 2.887 0.292 1.00 0.00 C ATOM 1386 O GLU A 87 5.891 2.898 -0.921 1.00 0.00 O ATOM 1387 CB GLU A 87 7.486 2.926 2.056 1.00 0.00 C ATOM 1388 CG GLU A 87 8.895 3.521 2.020 1.00 0.00 C ATOM 1389 CD GLU A 87 9.822 2.682 1.137 1.00 0.00 C ATOM 1390 OE1 GLU A 87 10.241 1.588 1.542 1.00 0.00 O ATOM 1391 OE2 GLU A 87 10.103 3.204 -0.008 1.00 0.00 O ATOM 0 H GLU A 87 5.757 4.374 3.085 1.00 0.00 H new ATOM 0 HA GLU A 87 7.106 4.454 0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.137 2.870 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.508 1.907 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.853 4.542 1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.298 3.572 3.031 1.00 0.00 H new ATOM 1399 N LYS A 88 4.765 2.143 0.890 1.00 0.00 N ATOM 1400 CA LYS A 88 3.905 1.257 0.124 1.00 0.00 C ATOM 1401 C LYS A 88 3.311 2.026 -1.058 1.00 0.00 C ATOM 1402 O LYS A 88 3.582 1.702 -2.214 1.00 0.00 O ATOM 1403 CB LYS A 88 2.854 0.615 1.030 1.00 0.00 C ATOM 1404 CG LYS A 88 3.505 -0.023 2.259 1.00 0.00 C ATOM 1405 CD LYS A 88 3.131 0.736 3.535 1.00 0.00 C ATOM 1406 CE LYS A 88 1.622 0.683 3.781 1.00 0.00 C ATOM 1407 NZ LYS A 88 1.312 1.051 5.180 1.00 0.00 N ATOM 0 H LYS A 88 4.597 2.136 1.896 1.00 0.00 H new ATOM 0 HA LYS A 88 4.482 0.431 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.132 1.368 1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.302 -0.142 0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.188 -1.063 2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.588 -0.029 2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.657 0.305 4.387 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.454 1.774 3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.112 1.363 3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.248 -0.319 3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.300 0.896 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.875 0.463 5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.542 2.053 5.335 1.00 0.00 H new ATOM 1420 N ASN A 89 2.513 3.031 -0.728 1.00 0.00 N ATOM 1421 CA ASN A 89 1.878 3.849 -1.748 1.00 0.00 C ATOM 1422 C ASN A 89 2.880 4.127 -2.869 1.00 0.00 C ATOM 1423 O ASN A 89 3.827 4.892 -2.685 1.00 0.00 O ATOM 1424 CB ASN A 89 1.426 5.193 -1.173 1.00 0.00 C ATOM 1425 CG ASN A 89 0.684 5.001 0.151 1.00 0.00 C ATOM 1426 OD1 ASN A 89 0.529 3.900 0.653 1.00 0.00 O ATOM 1427 ND2 ASN A 89 0.234 6.132 0.687 1.00 0.00 N ATOM 0 H ASN A 89 2.292 3.298 0.231 1.00 0.00 H new ATOM 0 HA ASN A 89 1.010 3.307 -2.123 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.292 5.836 -1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.777 5.699 -1.888 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.275 6.110 1.571 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.398 7.021 0.215 1.00 0.00 H new