USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 579 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 1 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.08) USER MOD Single : A 1 ASN N :NH3+ 173:sc= -0.471 (180deg=-0.624) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -35:sc= 1.19 USER MOD Single : A 9 SER OG : rot -140:sc= -0.0412 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -2.82! K(o=-2.8!,f=-1.4) USER MOD Single : A 24 GLN : amide:sc= -1.17! K(o=-1.2!,f=-0.35) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= -2.03! C(o=-2!,f=-5.3!) USER MOD Single : A 32 THR OG1 : rot 170:sc= -0.0257 USER MOD Single : A 41 THR OG1 : rot 68:sc= 1.89 USER MOD Single : A 42 LYS NZ :NH3+ -107:sc= -0.325 (180deg=-2.16!) USER MOD Single : A 43 TYR OH : rot 148:sc= -0.808 USER MOD Single : A 45 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.012) USER MOD Single : A 49 GLN : amide:sc= -3.74 K(o=-3.7,f=-2.9!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -2.02! C(o=-2!,f=-8.8!) USER MOD Single : A 57 GLN : amide:sc= -2.85! K(o=-2.9!,f=-1.3) USER MOD Single : A 58 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.071) USER MOD Single : A 59 MET CE :methyl 154:sc= -0.229 (180deg=-0.887) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=-0.01) USER MOD Single : A 75 SER OG : rot 180:sc= 0.124 USER MOD Single : A 76 SER OG : rot -12:sc= 0.454 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -12.127 2.570 -14.082 1.00 0.00 N ATOM 2 CA ASN A 1 -11.600 2.092 -12.776 1.00 0.00 C ATOM 3 C ASN A 1 -12.731 1.405 -12.008 1.00 0.00 C ATOM 4 O ASN A 1 -12.693 1.316 -10.780 1.00 0.00 O ATOM 5 CB ASN A 1 -11.039 3.297 -11.985 1.00 0.00 C ATOM 6 CG ASN A 1 -9.921 3.982 -12.780 1.00 0.00 C ATOM 7 OD1 ASN A 1 -9.866 5.209 -12.845 1.00 0.00 O ATOM 8 ND2 ASN A 1 -9.019 3.256 -13.386 1.00 0.00 N ATOM 0 H1 ASN A 1 -11.402 3.141 -14.561 1.00 0.00 H new ATOM 0 H2 ASN A 1 -12.373 1.753 -14.677 1.00 0.00 H new ATOM 0 H3 ASN A 1 -12.975 3.151 -13.923 1.00 0.00 H new ATOM 0 HA ASN A 1 -10.794 1.374 -12.925 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -11.838 4.010 -11.780 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -10.656 2.961 -11.021 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -8.271 3.707 -13.912 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -9.063 2.238 -13.333 1.00 0.00 H new ATOM 17 N THR A 2 -13.735 0.910 -12.749 1.00 0.00 N ATOM 18 CA THR A 2 -14.887 0.215 -12.147 1.00 0.00 C ATOM 19 C THR A 2 -14.434 -1.059 -11.442 1.00 0.00 C ATOM 20 O THR A 2 -15.124 -1.569 -10.556 1.00 0.00 O ATOM 21 CB THR A 2 -15.934 -0.134 -13.237 1.00 0.00 C ATOM 22 OG1 THR A 2 -16.981 -0.898 -12.650 1.00 0.00 O ATOM 23 CG2 THR A 2 -15.298 -0.952 -14.388 1.00 0.00 C ATOM 0 H THR A 2 -13.773 0.978 -13.766 1.00 0.00 H new ATOM 0 HA THR A 2 -15.343 0.880 -11.414 1.00 0.00 H new ATOM 0 HB THR A 2 -16.322 0.797 -13.649 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.647 -1.120 -13.334 1.00 0.00 H new ATOM 0 HG21 THR A 2 -16.058 -1.180 -15.135 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.499 -0.371 -14.849 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.889 -1.881 -13.991 1.00 0.00 H new ATOM 31 N VAL A 3 -13.265 -1.575 -11.849 1.00 0.00 N ATOM 32 CA VAL A 3 -12.708 -2.800 -11.262 1.00 0.00 C ATOM 33 C VAL A 3 -12.478 -2.617 -9.753 1.00 0.00 C ATOM 34 O VAL A 3 -12.530 -3.585 -8.994 1.00 0.00 O ATOM 35 CB VAL A 3 -11.374 -3.169 -11.991 1.00 0.00 C ATOM 36 CG1 VAL A 3 -11.658 -3.500 -13.488 1.00 0.00 C ATOM 37 CG2 VAL A 3 -10.364 -1.981 -11.904 1.00 0.00 C ATOM 0 H VAL A 3 -12.688 -1.162 -12.582 1.00 0.00 H new ATOM 0 HA VAL A 3 -13.417 -3.617 -11.394 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.942 -4.042 -11.503 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.724 -3.756 -13.988 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -12.345 -4.344 -13.550 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.104 -2.632 -13.974 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.440 -2.251 -12.415 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.797 -1.100 -12.378 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -10.149 -1.762 -10.858 1.00 0.00 H new ATOM 47 N ASP A 4 -12.213 -1.361 -9.344 1.00 0.00 N ATOM 48 CA ASP A 4 -11.958 -1.008 -7.927 1.00 0.00 C ATOM 49 C ASP A 4 -11.042 -2.046 -7.245 1.00 0.00 C ATOM 50 O ASP A 4 -11.299 -2.490 -6.125 1.00 0.00 O ATOM 51 CB ASP A 4 -13.301 -0.851 -7.158 1.00 0.00 C ATOM 52 CG ASP A 4 -14.091 -2.163 -7.147 1.00 0.00 C ATOM 53 OD1 ASP A 4 -14.845 -2.387 -8.081 1.00 0.00 O ATOM 54 OD2 ASP A 4 -13.939 -2.919 -6.198 1.00 0.00 O ATOM 0 H ASP A 4 -12.169 -0.564 -9.979 1.00 0.00 H new ATOM 0 HA ASP A 4 -11.436 -0.051 -7.904 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -13.102 -0.535 -6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.899 -0.067 -7.623 1.00 0.00 H new ATOM 59 N ASP A 5 -9.976 -2.429 -7.961 1.00 0.00 N ATOM 60 CA ASP A 5 -9.012 -3.423 -7.469 1.00 0.00 C ATOM 61 C ASP A 5 -8.417 -2.974 -6.132 1.00 0.00 C ATOM 62 O ASP A 5 -8.454 -1.796 -5.801 1.00 0.00 O ATOM 63 CB ASP A 5 -7.884 -3.602 -8.518 1.00 0.00 C ATOM 64 CG ASP A 5 -8.454 -4.123 -9.844 1.00 0.00 C ATOM 65 OD1 ASP A 5 -9.325 -4.977 -9.795 1.00 0.00 O ATOM 66 OD2 ASP A 5 -8.010 -3.663 -10.887 1.00 0.00 O ATOM 0 H ASP A 5 -9.759 -2.063 -8.888 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.524 -4.373 -7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.379 -2.650 -8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.136 -4.298 -8.139 1.00 0.00 H new ATOM 71 N ILE A 6 -7.882 -3.925 -5.366 1.00 0.00 N ATOM 72 CA ILE A 6 -7.282 -3.619 -4.056 1.00 0.00 C ATOM 73 C ILE A 6 -6.046 -2.725 -4.237 1.00 0.00 C ATOM 74 O ILE A 6 -5.740 -1.887 -3.388 1.00 0.00 O ATOM 75 CB ILE A 6 -6.942 -4.955 -3.323 1.00 0.00 C ATOM 76 CG1 ILE A 6 -6.317 -4.673 -1.906 1.00 0.00 C ATOM 77 CG2 ILE A 6 -5.967 -5.814 -4.185 1.00 0.00 C ATOM 78 CD1 ILE A 6 -6.219 -5.971 -1.077 1.00 0.00 C ATOM 0 H ILE A 6 -7.849 -4.911 -5.624 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.989 -3.066 -3.438 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.868 -5.512 -3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.325 -4.236 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.927 -3.943 -1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.739 -6.742 -3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.434 -6.043 -5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.045 -5.258 -4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.784 -5.748 -0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.215 -6.393 -0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.589 -6.690 -1.600 1.00 0.00 H new ATOM 90 N SER A 7 -5.341 -2.923 -5.358 1.00 0.00 N ATOM 91 CA SER A 7 -4.130 -2.151 -5.685 1.00 0.00 C ATOM 92 C SER A 7 -4.467 -0.773 -6.271 1.00 0.00 C ATOM 93 O SER A 7 -3.585 -0.099 -6.794 1.00 0.00 O ATOM 94 CB SER A 7 -3.287 -2.958 -6.691 1.00 0.00 C ATOM 95 OG SER A 7 -2.088 -2.251 -6.980 1.00 0.00 O ATOM 0 H SER A 7 -5.590 -3.618 -6.062 1.00 0.00 H new ATOM 0 HA SER A 7 -3.570 -1.981 -4.765 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.053 -3.940 -6.280 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.854 -3.123 -7.607 1.00 0.00 H new ATOM 0 HG SER A 7 -2.269 -1.288 -6.983 1.00 0.00 H new ATOM 101 N GLU A 8 -5.744 -0.360 -6.195 1.00 0.00 N ATOM 102 CA GLU A 8 -6.176 0.945 -6.747 1.00 0.00 C ATOM 103 C GLU A 8 -5.440 2.105 -6.055 1.00 0.00 C ATOM 104 O GLU A 8 -5.019 3.061 -6.713 1.00 0.00 O ATOM 105 CB GLU A 8 -7.719 1.092 -6.574 1.00 0.00 C ATOM 106 CG GLU A 8 -8.123 1.035 -5.060 1.00 0.00 C ATOM 107 CD GLU A 8 -9.643 0.876 -4.901 1.00 0.00 C ATOM 108 OE1 GLU A 8 -10.364 1.549 -5.618 1.00 0.00 O ATOM 109 OE2 GLU A 8 -10.058 0.083 -4.069 1.00 0.00 O ATOM 0 H GLU A 8 -6.492 -0.902 -5.762 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.927 0.982 -7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.049 2.037 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.227 0.297 -7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.614 0.202 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.794 1.945 -4.558 1.00 0.00 H new ATOM 116 N SER A 9 -5.272 1.999 -4.732 1.00 0.00 N ATOM 117 CA SER A 9 -4.564 3.023 -3.948 1.00 0.00 C ATOM 118 C SER A 9 -3.075 3.017 -4.312 1.00 0.00 C ATOM 119 O SER A 9 -2.476 4.059 -4.547 1.00 0.00 O ATOM 120 CB SER A 9 -4.746 2.711 -2.459 1.00 0.00 C ATOM 121 OG SER A 9 -6.136 2.728 -2.153 1.00 0.00 O ATOM 0 H SER A 9 -5.616 1.214 -4.179 1.00 0.00 H new ATOM 0 HA SER A 9 -4.970 4.010 -4.168 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.320 1.736 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.217 3.446 -1.852 1.00 0.00 H new ATOM 0 HG SER A 9 -6.274 3.155 -1.282 1.00 0.00 H new ATOM 127 N LEU A 10 -2.489 1.817 -4.343 1.00 0.00 N ATOM 128 CA LEU A 10 -1.067 1.645 -4.674 1.00 0.00 C ATOM 129 C LEU A 10 -0.783 2.104 -6.111 1.00 0.00 C ATOM 130 O LEU A 10 0.287 2.650 -6.395 1.00 0.00 O ATOM 131 CB LEU A 10 -0.717 0.148 -4.492 1.00 0.00 C ATOM 132 CG LEU A 10 -0.993 -0.318 -3.015 1.00 0.00 C ATOM 133 CD1 LEU A 10 -0.783 -1.850 -2.903 1.00 0.00 C ATOM 134 CD2 LEU A 10 -0.059 0.432 -1.998 1.00 0.00 C ATOM 0 H LEU A 10 -2.978 0.945 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.450 2.256 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.306 -0.454 -5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.332 -0.017 -4.740 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.025 -0.073 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.975 -2.170 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.470 -2.362 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.243 -2.097 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.273 0.089 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.983 0.223 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.238 1.505 -2.063 1.00 0.00 H new ATOM 146 N ARG A 11 -1.745 1.874 -7.013 1.00 0.00 N ATOM 147 CA ARG A 11 -1.600 2.264 -8.427 1.00 0.00 C ATOM 148 C ARG A 11 -1.367 3.783 -8.558 1.00 0.00 C ATOM 149 O ARG A 11 -0.766 4.235 -9.534 1.00 0.00 O ATOM 150 CB ARG A 11 -2.869 1.822 -9.215 1.00 0.00 C ATOM 151 CG ARG A 11 -2.727 2.113 -10.741 1.00 0.00 C ATOM 152 CD ARG A 11 -3.993 1.656 -11.507 1.00 0.00 C ATOM 153 NE ARG A 11 -3.834 1.934 -12.945 1.00 0.00 N ATOM 154 CZ ARG A 11 -3.859 3.181 -13.449 1.00 0.00 C ATOM 155 NH1 ARG A 11 -4.115 4.210 -12.683 1.00 0.00 N ATOM 156 NH2 ARG A 11 -3.640 3.367 -14.723 1.00 0.00 N ATOM 0 H ARG A 11 -2.632 1.421 -6.793 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.728 1.764 -8.849 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.041 0.757 -9.062 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.742 2.345 -8.824 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.566 3.179 -10.899 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.852 1.596 -11.135 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.160 0.590 -11.350 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.870 2.176 -11.122 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.700 1.150 -13.584 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.299 4.073 -11.689 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.130 5.150 -13.080 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.451 2.569 -15.330 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.658 4.310 -15.111 1.00 0.00 H new ATOM 170 N GLN A 12 -1.844 4.568 -7.572 1.00 0.00 N ATOM 171 CA GLN A 12 -1.677 6.038 -7.595 1.00 0.00 C ATOM 172 C GLN A 12 -0.196 6.416 -7.802 1.00 0.00 C ATOM 173 O GLN A 12 0.178 6.928 -8.858 1.00 0.00 O ATOM 174 CB GLN A 12 -2.195 6.653 -6.261 1.00 0.00 C ATOM 175 CG GLN A 12 -3.718 6.386 -6.088 1.00 0.00 C ATOM 176 CD GLN A 12 -4.209 6.909 -4.731 1.00 0.00 C ATOM 177 OE1 GLN A 12 -3.478 6.850 -3.742 1.00 0.00 O ATOM 178 NE2 GLN A 12 -5.408 7.416 -4.628 1.00 0.00 N ATOM 0 H GLN A 12 -2.344 4.215 -6.756 1.00 0.00 H new ATOM 0 HA GLN A 12 -2.257 6.437 -8.427 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.648 6.225 -5.421 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.005 7.726 -6.252 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.271 6.871 -6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.916 5.317 -6.165 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.013 7.465 -5.448 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.739 7.763 -3.728 1.00 0.00 H new ATOM 187 N GLY A 13 0.635 6.148 -6.782 1.00 0.00 N ATOM 188 CA GLY A 13 2.072 6.451 -6.857 1.00 0.00 C ATOM 189 C GLY A 13 2.302 7.954 -6.924 1.00 0.00 C ATOM 190 O GLY A 13 3.373 8.412 -7.323 1.00 0.00 O ATOM 0 H GLY A 13 0.339 5.725 -5.902 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.582 6.039 -5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.504 5.972 -7.736 1.00 0.00 H new ATOM 194 N GLY A 14 1.278 8.719 -6.528 1.00 0.00 N ATOM 195 CA GLY A 14 1.341 10.188 -6.540 1.00 0.00 C ATOM 196 C GLY A 14 2.615 10.720 -5.881 1.00 0.00 C ATOM 197 O GLY A 14 3.020 11.854 -6.129 1.00 0.00 O ATOM 0 H GLY A 14 0.391 8.344 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.292 10.543 -7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.471 10.591 -6.022 1.00 0.00 H new ATOM 201 N GLY A 15 3.245 9.879 -5.046 1.00 0.00 N ATOM 202 CA GLY A 15 4.492 10.228 -4.337 1.00 0.00 C ATOM 203 C GLY A 15 4.209 10.493 -2.870 1.00 0.00 C ATOM 204 O GLY A 15 4.537 9.674 -2.009 1.00 0.00 O ATOM 0 H GLY A 15 2.907 8.939 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.213 9.416 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.942 11.110 -4.792 1.00 0.00 H new ATOM 208 N LYS A 16 3.586 11.643 -2.581 1.00 0.00 N ATOM 209 CA LYS A 16 3.256 12.010 -1.198 1.00 0.00 C ATOM 210 C LYS A 16 2.155 11.076 -0.661 1.00 0.00 C ATOM 211 O LYS A 16 0.995 11.181 -1.065 1.00 0.00 O ATOM 212 CB LYS A 16 2.775 13.487 -1.143 1.00 0.00 C ATOM 213 CG LYS A 16 3.907 14.444 -1.627 1.00 0.00 C ATOM 214 CD LYS A 16 3.432 15.934 -1.643 1.00 0.00 C ATOM 215 CE LYS A 16 3.162 16.477 -0.211 1.00 0.00 C ATOM 216 NZ LYS A 16 2.979 17.948 -0.273 1.00 0.00 N ATOM 0 H LYS A 16 3.302 12.330 -3.280 1.00 0.00 H new ATOM 0 HA LYS A 16 4.146 11.905 -0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.891 13.612 -1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.483 13.744 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.773 14.344 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.228 14.153 -2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.189 16.550 -2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.524 16.018 -2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.273 16.005 0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.995 16.230 0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.798 18.316 0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.839 18.389 -0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.171 18.172 -0.889 1.00 0.00 H new ATOM 230 N LEU A 17 2.529 10.170 0.263 1.00 0.00 N ATOM 231 CA LEU A 17 1.577 9.215 0.881 1.00 0.00 C ATOM 232 C LEU A 17 2.019 8.960 2.327 1.00 0.00 C ATOM 233 O LEU A 17 3.163 8.610 2.574 1.00 0.00 O ATOM 234 CB LEU A 17 1.522 7.876 0.040 1.00 0.00 C ATOM 235 CG LEU A 17 0.307 7.853 -0.961 1.00 0.00 C ATOM 236 CD1 LEU A 17 0.429 6.628 -1.914 1.00 0.00 C ATOM 237 CD2 LEU A 17 -1.080 7.825 -0.186 1.00 0.00 C ATOM 0 H LEU A 17 3.487 10.076 0.602 1.00 0.00 H new ATOM 0 HA LEU A 17 0.569 9.630 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.452 7.760 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.448 7.026 0.718 1.00 0.00 H new ATOM 0 HG LEU A 17 0.333 8.768 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.415 6.618 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.359 6.698 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.429 5.709 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.899 7.810 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.130 6.933 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.165 8.713 0.441 1.00 0.00 H new ATOM 249 N ASN A 18 1.075 9.107 3.265 1.00 0.00 N ATOM 250 CA ASN A 18 1.309 8.887 4.695 1.00 0.00 C ATOM 251 C ASN A 18 0.186 7.999 5.199 1.00 0.00 C ATOM 252 O ASN A 18 -0.932 8.082 4.688 1.00 0.00 O ATOM 253 CB ASN A 18 1.286 10.266 5.416 1.00 0.00 C ATOM 254 CG ASN A 18 1.218 10.117 6.942 1.00 0.00 C ATOM 255 OD1 ASN A 18 2.245 9.957 7.603 1.00 0.00 O ATOM 256 ND2 ASN A 18 0.054 10.148 7.533 1.00 0.00 N ATOM 0 H ASN A 18 0.118 9.385 3.049 1.00 0.00 H new ATOM 0 HA ASN A 18 2.272 8.412 4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.179 10.831 5.146 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.428 10.842 5.070 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.007 10.040 8.545 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.794 10.281 6.982 1.00 0.00 H new ATOM 263 N PHE A 19 0.523 7.100 6.133 1.00 0.00 N ATOM 264 CA PHE A 19 -0.412 6.110 6.695 1.00 0.00 C ATOM 265 C PHE A 19 -1.874 6.618 6.748 1.00 0.00 C ATOM 266 O PHE A 19 -2.785 5.852 6.529 1.00 0.00 O ATOM 267 CB PHE A 19 0.068 5.719 8.121 1.00 0.00 C ATOM 268 CG PHE A 19 0.045 6.962 9.032 1.00 0.00 C ATOM 269 CD1 PHE A 19 -1.145 7.322 9.703 1.00 0.00 C ATOM 270 CD2 PHE A 19 1.201 7.760 9.196 1.00 0.00 C ATOM 271 CE1 PHE A 19 -1.176 8.455 10.528 1.00 0.00 C ATOM 272 CE2 PHE A 19 1.163 8.890 10.024 1.00 0.00 C ATOM 273 CZ PHE A 19 -0.023 9.237 10.689 1.00 0.00 C ATOM 0 H PHE A 19 1.462 7.037 6.526 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.411 5.243 6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.576 4.942 8.532 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.076 5.307 8.076 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.034 6.722 9.580 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.114 7.498 8.682 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.088 8.726 11.040 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.049 9.495 10.151 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.048 10.108 11.326 1.00 0.00 H new ATOM 283 N ASP A 20 -2.060 7.928 6.990 1.00 0.00 N ATOM 284 CA ASP A 20 -3.407 8.542 7.031 1.00 0.00 C ATOM 285 C ASP A 20 -4.037 8.681 5.632 1.00 0.00 C ATOM 286 O ASP A 20 -5.214 8.404 5.451 1.00 0.00 O ATOM 287 CB ASP A 20 -3.270 9.940 7.689 1.00 0.00 C ATOM 288 CG ASP A 20 -4.639 10.581 7.978 1.00 0.00 C ATOM 289 OD1 ASP A 20 -5.335 10.073 8.841 1.00 0.00 O ATOM 290 OD2 ASP A 20 -4.964 11.574 7.341 1.00 0.00 O ATOM 0 H ASP A 20 -1.298 8.584 7.160 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.069 7.894 7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.709 9.849 8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.695 10.594 7.033 1.00 0.00 H new ATOM 295 N GLU A 21 -3.245 9.156 4.667 1.00 0.00 N ATOM 296 CA GLU A 21 -3.728 9.401 3.294 1.00 0.00 C ATOM 297 C GLU A 21 -4.241 8.127 2.608 1.00 0.00 C ATOM 298 O GLU A 21 -5.306 8.124 1.984 1.00 0.00 O ATOM 299 CB GLU A 21 -2.571 10.013 2.452 1.00 0.00 C ATOM 300 CG GLU A 21 -2.102 11.374 3.045 1.00 0.00 C ATOM 301 CD GLU A 21 -3.191 12.452 2.882 1.00 0.00 C ATOM 302 OE1 GLU A 21 -3.667 12.614 1.769 1.00 0.00 O ATOM 303 OE2 GLU A 21 -3.526 13.097 3.864 1.00 0.00 O ATOM 0 H GLU A 21 -2.260 9.381 4.807 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.570 10.090 3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.732 9.318 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.903 10.156 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.862 11.251 4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.188 11.697 2.546 1.00 0.00 H new ATOM 310 N LEU A 22 -3.485 7.059 2.744 1.00 0.00 N ATOM 311 CA LEU A 22 -3.888 5.760 2.170 1.00 0.00 C ATOM 312 C LEU A 22 -4.984 5.079 3.027 1.00 0.00 C ATOM 313 O LEU A 22 -5.948 4.534 2.491 1.00 0.00 O ATOM 314 CB LEU A 22 -2.650 4.855 1.972 1.00 0.00 C ATOM 315 CG LEU A 22 -1.801 4.713 3.316 1.00 0.00 C ATOM 316 CD1 LEU A 22 -2.124 3.378 4.022 1.00 0.00 C ATOM 317 CD2 LEU A 22 -0.259 4.829 3.019 1.00 0.00 C ATOM 0 H LEU A 22 -2.593 7.047 3.239 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.329 5.935 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.970 3.868 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.019 5.268 1.185 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.078 5.529 3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.536 3.298 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.185 3.344 4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.879 2.548 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.299 4.729 3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.039 4.039 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.047 5.800 2.571 1.00 0.00 H new ATOM 329 N ARG A 23 -4.790 5.053 4.362 1.00 0.00 N ATOM 330 CA ARG A 23 -5.735 4.354 5.269 1.00 0.00 C ATOM 331 C ARG A 23 -7.137 4.958 5.185 1.00 0.00 C ATOM 332 O ARG A 23 -8.124 4.231 5.041 1.00 0.00 O ATOM 333 CB ARG A 23 -5.211 4.409 6.733 1.00 0.00 C ATOM 334 CG ARG A 23 -6.206 3.725 7.770 1.00 0.00 C ATOM 335 CD ARG A 23 -6.956 4.784 8.619 1.00 0.00 C ATOM 336 NE ARG A 23 -6.004 5.542 9.446 1.00 0.00 N ATOM 337 CZ ARG A 23 -6.389 6.548 10.249 1.00 0.00 C ATOM 338 NH1 ARG A 23 -7.648 6.908 10.322 1.00 0.00 N ATOM 339 NH2 ARG A 23 -5.498 7.173 10.963 1.00 0.00 N ATOM 0 H ARG A 23 -4.003 5.499 4.833 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.800 3.313 4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.241 3.914 6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.054 5.449 7.019 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.928 3.110 7.232 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.647 3.059 8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.502 5.464 7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.692 4.294 9.256 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.015 5.295 9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.350 6.422 9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.925 7.674 10.936 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.517 6.898 10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.781 7.938 11.576 1.00 0.00 H new ATOM 353 N GLN A 24 -7.217 6.278 5.300 1.00 0.00 N ATOM 354 CA GLN A 24 -8.508 6.979 5.266 1.00 0.00 C ATOM 355 C GLN A 24 -9.306 6.674 3.992 1.00 0.00 C ATOM 356 O GLN A 24 -10.529 6.545 4.032 1.00 0.00 O ATOM 357 CB GLN A 24 -8.271 8.511 5.390 1.00 0.00 C ATOM 358 CG GLN A 24 -7.700 9.147 4.076 1.00 0.00 C ATOM 359 CD GLN A 24 -7.258 10.591 4.307 1.00 0.00 C ATOM 360 OE1 GLN A 24 -6.811 11.259 3.373 1.00 0.00 O ATOM 361 NE2 GLN A 24 -7.361 11.114 5.498 1.00 0.00 N ATOM 0 H GLN A 24 -6.409 6.889 5.418 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.099 6.621 6.109 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.211 9.000 5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.579 8.702 6.211 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.854 8.558 3.721 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.459 9.117 3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.731 10.558 6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.071 12.079 5.658 1.00 0.00 H new ATOM 370 N ASP A 25 -8.594 6.509 2.866 1.00 0.00 N ATOM 371 CA ASP A 25 -9.187 6.157 1.574 1.00 0.00 C ATOM 372 C ASP A 25 -9.663 4.695 1.501 1.00 0.00 C ATOM 373 O ASP A 25 -10.779 4.406 1.069 1.00 0.00 O ATOM 374 CB ASP A 25 -8.102 6.422 0.492 1.00 0.00 C ATOM 375 CG ASP A 25 -8.660 6.280 -0.929 1.00 0.00 C ATOM 376 OD1 ASP A 25 -9.488 7.094 -1.298 1.00 0.00 O ATOM 377 OD2 ASP A 25 -8.237 5.372 -1.632 1.00 0.00 O ATOM 0 H ASP A 25 -7.580 6.618 2.831 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.079 6.763 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.697 7.425 0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.276 5.724 0.628 1.00 0.00 H new ATOM 382 N LEU A 26 -8.767 3.775 1.926 1.00 0.00 N ATOM 383 CA LEU A 26 -9.027 2.316 1.875 1.00 0.00 C ATOM 384 C LEU A 26 -10.239 1.937 2.738 1.00 0.00 C ATOM 385 O LEU A 26 -10.977 0.998 2.411 1.00 0.00 O ATOM 386 CB LEU A 26 -7.767 1.523 2.332 1.00 0.00 C ATOM 387 CG LEU A 26 -6.539 1.672 1.329 1.00 0.00 C ATOM 388 CD1 LEU A 26 -5.202 1.352 2.069 1.00 0.00 C ATOM 389 CD2 LEU A 26 -6.681 0.699 0.111 1.00 0.00 C ATOM 0 H LEU A 26 -7.854 4.018 2.310 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.253 2.052 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.465 1.869 3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.024 0.468 2.429 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.533 2.700 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.368 1.457 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.071 2.045 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.232 0.331 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.828 0.824 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.714 -0.330 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.600 0.925 -0.430 1.00 0.00 H new ATOM 401 N LYS A 27 -10.447 2.685 3.821 1.00 0.00 N ATOM 402 CA LYS A 27 -11.591 2.457 4.722 1.00 0.00 C ATOM 403 C LYS A 27 -12.905 2.533 3.910 1.00 0.00 C ATOM 404 O LYS A 27 -13.797 1.698 4.062 1.00 0.00 O ATOM 405 CB LYS A 27 -11.550 3.524 5.846 1.00 0.00 C ATOM 406 CG LYS A 27 -12.700 3.324 6.878 1.00 0.00 C ATOM 407 CD LYS A 27 -12.539 4.293 8.097 1.00 0.00 C ATOM 408 CE LYS A 27 -12.560 5.794 7.667 1.00 0.00 C ATOM 409 NZ LYS A 27 -12.847 6.637 8.869 1.00 0.00 N ATOM 0 H LYS A 27 -9.841 3.456 4.101 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.539 1.468 5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.589 3.475 6.359 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.626 4.518 5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.661 3.500 6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.703 2.292 7.228 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.342 4.111 8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.601 4.077 8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.602 6.075 7.230 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.319 5.957 6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.863 7.640 8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.771 6.372 9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.107 6.486 9.584 1.00 0.00 H new ATOM 423 N GLY A 28 -12.988 3.543 3.032 1.00 0.00 N ATOM 424 CA GLY A 28 -14.165 3.734 2.169 1.00 0.00 C ATOM 425 C GLY A 28 -14.341 2.562 1.194 1.00 0.00 C ATOM 426 O GLY A 28 -15.463 2.180 0.866 1.00 0.00 O ATOM 0 H GLY A 28 -12.255 4.240 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.058 3.833 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.060 4.663 1.608 1.00 0.00 H new ATOM 430 N LYS A 29 -13.214 2.012 0.711 1.00 0.00 N ATOM 431 CA LYS A 29 -13.222 0.887 -0.249 1.00 0.00 C ATOM 432 C LYS A 29 -13.692 -0.415 0.414 1.00 0.00 C ATOM 433 O LYS A 29 -13.723 -1.469 -0.223 1.00 0.00 O ATOM 434 CB LYS A 29 -11.788 0.688 -0.825 1.00 0.00 C ATOM 435 CG LYS A 29 -11.183 2.007 -1.396 1.00 0.00 C ATOM 436 CD LYS A 29 -11.943 2.487 -2.663 1.00 0.00 C ATOM 437 CE LYS A 29 -11.293 3.752 -3.251 1.00 0.00 C ATOM 438 NZ LYS A 29 -12.042 4.123 -4.479 1.00 0.00 N ATOM 0 H LYS A 29 -12.279 2.328 0.970 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.920 1.130 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.136 0.303 -0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.818 -0.065 -1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.220 2.785 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.132 1.850 -1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.946 1.694 -3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.983 2.692 -2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.320 4.566 -2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.244 3.568 -3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.622 4.977 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.994 3.342 -5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.036 4.309 -4.236 1.00 0.00 H new ATOM 452 N GLY A 30 -14.092 -0.308 1.675 1.00 0.00 N ATOM 453 CA GLY A 30 -14.615 -1.455 2.429 1.00 0.00 C ATOM 454 C GLY A 30 -13.529 -2.460 2.785 1.00 0.00 C ATOM 455 O GLY A 30 -13.843 -3.610 3.098 1.00 0.00 O ATOM 0 H GLY A 30 -14.066 0.563 2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.090 -1.099 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.387 -1.951 1.841 1.00 0.00 H new ATOM 459 N HIS A 31 -12.248 -2.045 2.759 1.00 0.00 N ATOM 460 CA HIS A 31 -11.126 -2.936 3.100 1.00 0.00 C ATOM 461 C HIS A 31 -11.156 -3.274 4.584 1.00 0.00 C ATOM 462 O HIS A 31 -11.857 -2.633 5.369 1.00 0.00 O ATOM 463 CB HIS A 31 -9.789 -2.284 2.686 1.00 0.00 C ATOM 464 CG HIS A 31 -9.674 -2.290 1.189 1.00 0.00 C ATOM 465 ND1 HIS A 31 -10.784 -2.198 0.376 1.00 0.00 N ATOM 466 CD2 HIS A 31 -8.603 -2.454 0.357 1.00 0.00 C ATOM 467 CE1 HIS A 31 -10.368 -2.313 -0.886 1.00 0.00 C ATOM 468 NE2 HIS A 31 -9.042 -2.466 -0.959 1.00 0.00 N ATOM 0 H HIS A 31 -11.966 -1.098 2.505 1.00 0.00 H new ATOM 0 HA HIS A 31 -11.224 -3.871 2.548 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.738 -1.262 3.062 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.954 -2.828 3.128 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -11.748 -2.066 0.684 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.576 -2.558 0.674 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.023 -2.286 -1.744 1.00 0.00 H new ATOM 476 N THR A 32 -10.422 -4.340 4.945 1.00 0.00 N ATOM 477 CA THR A 32 -10.386 -4.845 6.328 1.00 0.00 C ATOM 478 C THR A 32 -9.208 -4.256 7.065 1.00 0.00 C ATOM 479 O THR A 32 -8.251 -3.809 6.449 1.00 0.00 O ATOM 480 CB THR A 32 -10.294 -6.387 6.299 1.00 0.00 C ATOM 481 OG1 THR A 32 -9.065 -6.763 5.709 1.00 0.00 O ATOM 482 CG2 THR A 32 -11.458 -6.979 5.465 1.00 0.00 C ATOM 0 H THR A 32 -9.843 -4.871 4.295 1.00 0.00 H new ATOM 0 HA THR A 32 -11.295 -4.550 6.851 1.00 0.00 H new ATOM 0 HB THR A 32 -10.357 -6.768 7.318 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.924 -7.725 5.831 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.381 -8.066 5.453 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.409 -6.688 5.910 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.404 -6.600 4.444 1.00 0.00 H new ATOM 490 N ASP A 33 -9.272 -4.276 8.399 1.00 0.00 N ATOM 491 CA ASP A 33 -8.190 -3.738 9.222 1.00 0.00 C ATOM 492 C ASP A 33 -6.902 -4.512 8.957 1.00 0.00 C ATOM 493 O ASP A 33 -5.831 -3.913 8.858 1.00 0.00 O ATOM 494 CB ASP A 33 -8.583 -3.811 10.715 1.00 0.00 C ATOM 495 CG ASP A 33 -9.835 -2.957 10.971 1.00 0.00 C ATOM 496 OD1 ASP A 33 -9.906 -1.869 10.420 1.00 0.00 O ATOM 497 OD2 ASP A 33 -10.697 -3.400 11.713 1.00 0.00 O ATOM 0 H ASP A 33 -10.057 -4.657 8.928 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.020 -2.693 8.962 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.774 -4.846 10.999 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.759 -3.458 11.334 1.00 0.00 H new ATOM 502 N ALA A 34 -7.016 -5.852 8.839 1.00 0.00 N ATOM 503 CA ALA A 34 -5.834 -6.689 8.582 1.00 0.00 C ATOM 504 C ALA A 34 -5.166 -6.271 7.256 1.00 0.00 C ATOM 505 O ALA A 34 -3.939 -6.162 7.186 1.00 0.00 O ATOM 506 CB ALA A 34 -6.265 -8.172 8.531 1.00 0.00 C ATOM 0 H ALA A 34 -7.895 -6.364 8.916 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.108 -6.555 9.384 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.393 -8.798 8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.713 -8.454 9.484 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.993 -8.312 7.732 1.00 0.00 H new ATOM 512 N GLU A 35 -5.947 -6.097 6.175 1.00 0.00 N ATOM 513 CA GLU A 35 -5.370 -5.735 4.864 1.00 0.00 C ATOM 514 C GLU A 35 -4.787 -4.318 4.901 1.00 0.00 C ATOM 515 O GLU A 35 -3.676 -4.078 4.418 1.00 0.00 O ATOM 516 CB GLU A 35 -6.491 -5.842 3.784 1.00 0.00 C ATOM 517 CG GLU A 35 -6.932 -7.328 3.551 1.00 0.00 C ATOM 518 CD GLU A 35 -5.822 -8.144 2.864 1.00 0.00 C ATOM 519 OE1 GLU A 35 -5.351 -7.702 1.829 1.00 0.00 O ATOM 520 OE2 GLU A 35 -5.471 -9.196 3.376 1.00 0.00 O ATOM 0 H GLU A 35 -6.962 -6.198 6.179 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.556 -6.417 4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.353 -5.251 4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.134 -5.417 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.185 -7.788 4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.833 -7.350 2.938 1.00 0.00 H new ATOM 527 N ILE A 36 -5.564 -3.380 5.453 1.00 0.00 N ATOM 528 CA ILE A 36 -5.135 -1.970 5.506 1.00 0.00 C ATOM 529 C ILE A 36 -3.788 -1.827 6.254 1.00 0.00 C ATOM 530 O ILE A 36 -2.866 -1.151 5.771 1.00 0.00 O ATOM 531 CB ILE A 36 -6.242 -1.138 6.232 1.00 0.00 C ATOM 532 CG1 ILE A 36 -7.544 -1.092 5.348 1.00 0.00 C ATOM 533 CG2 ILE A 36 -5.776 0.334 6.538 1.00 0.00 C ATOM 534 CD1 ILE A 36 -8.770 -0.658 6.173 1.00 0.00 C ATOM 0 H ILE A 36 -6.479 -3.562 5.864 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.992 -1.601 4.490 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.444 -1.632 7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.398 -0.400 4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.726 -2.075 4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.578 0.872 7.042 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.895 0.311 7.180 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.531 0.840 5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.651 -0.637 5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.930 -1.366 6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.598 0.336 6.585 1.00 0.00 H new ATOM 546 N GLU A 37 -3.701 -2.427 7.459 1.00 0.00 N ATOM 547 CA GLU A 37 -2.510 -2.320 8.288 1.00 0.00 C ATOM 548 C GLU A 37 -1.297 -2.972 7.624 1.00 0.00 C ATOM 549 O GLU A 37 -0.184 -2.454 7.661 1.00 0.00 O ATOM 550 CB GLU A 37 -2.766 -2.914 9.700 1.00 0.00 C ATOM 551 CG GLU A 37 -2.842 -4.466 9.719 1.00 0.00 C ATOM 552 CD GLU A 37 -3.327 -4.979 11.081 1.00 0.00 C ATOM 553 OE1 GLU A 37 -4.315 -4.450 11.564 1.00 0.00 O ATOM 554 OE2 GLU A 37 -2.711 -5.888 11.620 1.00 0.00 O ATOM 0 H GLU A 37 -4.448 -2.988 7.869 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.282 -1.260 8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.971 -2.590 10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.699 -2.508 10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.518 -4.810 8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.860 -4.884 9.498 1.00 0.00 H new ATOM 561 N ALA A 38 -1.532 -4.131 7.022 1.00 0.00 N ATOM 562 CA ALA A 38 -0.473 -4.879 6.354 1.00 0.00 C ATOM 563 C ALA A 38 0.064 -4.119 5.133 1.00 0.00 C ATOM 564 O ALA A 38 1.279 -4.096 4.903 1.00 0.00 O ATOM 565 CB ALA A 38 -1.064 -6.233 5.926 1.00 0.00 C ATOM 0 H ALA A 38 -2.449 -4.575 6.982 1.00 0.00 H new ATOM 0 HA ALA A 38 0.367 -5.020 7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.298 -6.821 5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.414 -6.772 6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.900 -6.067 5.246 1.00 0.00 H new ATOM 571 N ILE A 39 -0.845 -3.560 4.317 1.00 0.00 N ATOM 572 CA ILE A 39 -0.402 -2.890 3.061 1.00 0.00 C ATOM 573 C ILE A 39 0.519 -1.682 3.330 1.00 0.00 C ATOM 574 O ILE A 39 1.552 -1.541 2.675 1.00 0.00 O ATOM 575 CB ILE A 39 -1.691 -2.414 2.196 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.121 -3.483 1.105 1.00 0.00 C ATOM 577 CG2 ILE A 39 -1.459 -1.045 1.461 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.652 -4.780 1.739 1.00 0.00 C ATOM 0 H ILE A 39 -1.851 -3.551 4.484 1.00 0.00 H new ATOM 0 HA ILE A 39 0.175 -3.622 2.496 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.485 -2.301 2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.889 -3.054 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.266 -3.715 0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.354 -0.778 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.247 -0.269 2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.615 -1.138 0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.933 -5.481 0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.876 -5.225 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.524 -4.554 2.353 1.00 0.00 H new ATOM 590 N PHE A 40 0.156 -0.813 4.265 1.00 0.00 N ATOM 591 CA PHE A 40 0.984 0.376 4.556 1.00 0.00 C ATOM 592 C PHE A 40 2.312 -0.025 5.176 1.00 0.00 C ATOM 593 O PHE A 40 3.343 0.587 4.941 1.00 0.00 O ATOM 594 CB PHE A 40 0.197 1.408 5.411 1.00 0.00 C ATOM 595 CG PHE A 40 0.521 1.271 6.904 1.00 0.00 C ATOM 596 CD1 PHE A 40 -0.176 0.346 7.670 1.00 0.00 C ATOM 597 CD2 PHE A 40 1.530 2.045 7.495 1.00 0.00 C ATOM 598 CE1 PHE A 40 0.109 0.180 9.029 1.00 0.00 C ATOM 599 CE2 PHE A 40 1.811 1.889 8.850 1.00 0.00 C ATOM 600 CZ PHE A 40 1.104 0.959 9.622 1.00 0.00 C ATOM 0 H PHE A 40 -0.688 -0.896 4.832 1.00 0.00 H new ATOM 0 HA PHE A 40 1.222 0.875 3.617 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.439 2.417 5.077 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.873 1.269 5.256 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.948 -0.253 7.210 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.086 2.757 6.903 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.436 -0.545 9.615 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.581 2.491 9.310 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.328 0.845 10.672 1.00 0.00 H new ATOM 610 N THR A 41 2.230 -1.038 6.033 1.00 0.00 N ATOM 611 CA THR A 41 3.373 -1.519 6.792 1.00 0.00 C ATOM 612 C THR A 41 4.481 -2.042 5.881 1.00 0.00 C ATOM 613 O THR A 41 5.654 -1.702 6.064 1.00 0.00 O ATOM 614 CB THR A 41 2.822 -2.591 7.764 1.00 0.00 C ATOM 615 OG1 THR A 41 2.013 -1.932 8.731 1.00 0.00 O ATOM 616 CG2 THR A 41 3.920 -3.367 8.496 1.00 0.00 C ATOM 0 H THR A 41 1.366 -1.548 6.219 1.00 0.00 H new ATOM 0 HA THR A 41 3.849 -0.715 7.353 1.00 0.00 H new ATOM 0 HB THR A 41 2.260 -3.314 7.173 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.205 -1.584 8.299 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.465 -4.102 9.161 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.551 -3.877 7.769 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.526 -2.675 9.081 1.00 0.00 H new ATOM 624 N LYS A 42 4.106 -2.857 4.895 1.00 0.00 N ATOM 625 CA LYS A 42 5.084 -3.407 3.952 1.00 0.00 C ATOM 626 C LYS A 42 5.654 -2.290 3.056 1.00 0.00 C ATOM 627 O LYS A 42 6.874 -2.207 2.876 1.00 0.00 O ATOM 628 CB LYS A 42 4.345 -4.472 3.100 1.00 0.00 C ATOM 629 CG LYS A 42 4.011 -5.734 3.956 1.00 0.00 C ATOM 630 CD LYS A 42 3.224 -6.775 3.110 1.00 0.00 C ATOM 631 CE LYS A 42 2.930 -8.043 3.950 1.00 0.00 C ATOM 632 NZ LYS A 42 2.109 -7.668 5.134 1.00 0.00 N ATOM 0 H LYS A 42 3.143 -3.149 4.728 1.00 0.00 H new ATOM 0 HA LYS A 42 5.924 -3.856 4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.426 -4.047 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.964 -4.757 2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.932 -6.182 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.422 -5.445 4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.289 -6.337 2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.800 -7.043 2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.402 -8.780 3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.863 -8.505 4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.697 -7.707 5.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.742 -6.703 5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.314 -8.332 5.229 1.00 0.00 H new ATOM 646 N TYR A 43 4.775 -1.456 2.464 1.00 0.00 N ATOM 647 CA TYR A 43 5.250 -0.396 1.557 1.00 0.00 C ATOM 648 C TYR A 43 5.940 0.729 2.346 1.00 0.00 C ATOM 649 O TYR A 43 6.889 1.319 1.838 1.00 0.00 O ATOM 650 CB TYR A 43 4.035 0.205 0.773 1.00 0.00 C ATOM 651 CG TYR A 43 3.573 -0.714 -0.380 1.00 0.00 C ATOM 652 CD1 TYR A 43 3.061 -1.992 -0.100 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.664 -0.290 -1.733 1.00 0.00 C ATOM 654 CE1 TYR A 43 2.663 -2.828 -1.143 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.260 -1.138 -2.761 1.00 0.00 C ATOM 656 CZ TYR A 43 2.770 -2.398 -2.465 1.00 0.00 C ATOM 657 OH TYR A 43 2.381 -3.220 -3.485 1.00 0.00 O ATOM 0 H TYR A 43 3.764 -1.493 2.592 1.00 0.00 H new ATOM 0 HA TYR A 43 5.968 -0.834 0.863 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.205 0.367 1.461 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.311 1.180 0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.976 -2.327 0.923 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.048 0.693 -1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.271 -3.811 -0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.329 -0.813 -3.789 1.00 0.00 H new ATOM 0 HH TYR A 43 2.033 -2.680 -4.225 1.00 0.00 H new ATOM 667 N ASP A 44 5.491 1.001 3.585 1.00 0.00 N ATOM 668 CA ASP A 44 6.085 2.068 4.445 1.00 0.00 C ATOM 669 C ASP A 44 6.838 1.389 5.594 1.00 0.00 C ATOM 670 O ASP A 44 6.213 0.810 6.487 1.00 0.00 O ATOM 671 CB ASP A 44 4.957 3.011 4.996 1.00 0.00 C ATOM 672 CG ASP A 44 3.879 3.252 3.934 1.00 0.00 C ATOM 673 OD1 ASP A 44 4.249 3.493 2.806 1.00 0.00 O ATOM 674 OD2 ASP A 44 2.705 3.193 4.267 1.00 0.00 O ATOM 0 H ASP A 44 4.717 0.501 4.023 1.00 0.00 H new ATOM 0 HA ASP A 44 6.774 2.682 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.506 2.566 5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.391 3.963 5.302 1.00 0.00 H new ATOM 679 N GLN A 45 8.179 1.396 5.535 1.00 0.00 N ATOM 680 CA GLN A 45 8.986 0.697 6.545 1.00 0.00 C ATOM 681 C GLN A 45 8.743 1.227 7.976 1.00 0.00 C ATOM 682 O GLN A 45 8.474 0.420 8.873 1.00 0.00 O ATOM 683 CB GLN A 45 10.493 0.851 6.168 1.00 0.00 C ATOM 684 CG GLN A 45 10.763 0.366 4.709 1.00 0.00 C ATOM 685 CD GLN A 45 10.459 -1.127 4.541 1.00 0.00 C ATOM 686 OE1 GLN A 45 11.355 -1.963 4.661 1.00 0.00 O ATOM 687 NE2 GLN A 45 9.238 -1.507 4.271 1.00 0.00 N ATOM 0 H GLN A 45 8.719 1.870 4.811 1.00 0.00 H new ATOM 0 HA GLN A 45 8.690 -0.352 6.548 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.791 1.895 6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.105 0.277 6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.151 0.942 4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.804 0.557 4.449 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.498 -0.812 4.172 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.025 -2.498 4.159 1.00 0.00 H new ATOM 696 N ASP A 46 8.808 2.566 8.212 1.00 0.00 N ATOM 697 CA ASP A 46 8.562 3.153 9.559 1.00 0.00 C ATOM 698 C ASP A 46 7.196 3.858 9.635 1.00 0.00 C ATOM 699 O ASP A 46 6.826 4.367 10.691 1.00 0.00 O ATOM 700 CB ASP A 46 9.698 4.168 9.830 1.00 0.00 C ATOM 701 CG ASP A 46 9.610 4.771 11.240 1.00 0.00 C ATOM 702 OD1 ASP A 46 9.177 4.071 12.142 1.00 0.00 O ATOM 703 OD2 ASP A 46 9.984 5.924 11.395 1.00 0.00 O ATOM 0 H ASP A 46 9.027 3.255 7.492 1.00 0.00 H new ATOM 0 HA ASP A 46 8.549 2.360 10.307 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.662 3.674 9.707 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.653 4.968 9.091 1.00 0.00 H new ATOM 708 N GLY A 47 6.459 3.895 8.510 1.00 0.00 N ATOM 709 CA GLY A 47 5.133 4.557 8.443 1.00 0.00 C ATOM 710 C GLY A 47 5.070 5.888 9.189 1.00 0.00 C ATOM 711 O GLY A 47 4.035 6.239 9.758 1.00 0.00 O ATOM 0 H GLY A 47 6.756 3.474 7.630 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.873 4.724 7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.380 3.885 8.855 1.00 0.00 H new ATOM 715 N ASP A 48 6.204 6.601 9.207 1.00 0.00 N ATOM 716 CA ASP A 48 6.340 7.892 9.914 1.00 0.00 C ATOM 717 C ASP A 48 6.574 9.046 8.935 1.00 0.00 C ATOM 718 O ASP A 48 6.438 10.209 9.315 1.00 0.00 O ATOM 719 CB ASP A 48 7.547 7.755 10.876 1.00 0.00 C ATOM 720 CG ASP A 48 7.698 8.986 11.781 1.00 0.00 C ATOM 721 OD1 ASP A 48 6.905 9.118 12.699 1.00 0.00 O ATOM 722 OD2 ASP A 48 8.605 9.770 11.547 1.00 0.00 O ATOM 0 H ASP A 48 7.057 6.303 8.733 1.00 0.00 H new ATOM 0 HA ASP A 48 5.423 8.119 10.457 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.422 6.864 11.492 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.460 7.616 10.296 1.00 0.00 H new ATOM 727 N GLN A 49 6.958 8.718 7.683 1.00 0.00 N ATOM 728 CA GLN A 49 7.260 9.736 6.640 1.00 0.00 C ATOM 729 C GLN A 49 6.524 9.411 5.335 1.00 0.00 C ATOM 730 O GLN A 49 5.675 8.517 5.292 1.00 0.00 O ATOM 731 CB GLN A 49 8.818 9.829 6.428 1.00 0.00 C ATOM 732 CG GLN A 49 9.488 8.421 6.348 1.00 0.00 C ATOM 733 CD GLN A 49 9.086 7.657 5.086 1.00 0.00 C ATOM 734 OE1 GLN A 49 9.793 7.717 4.078 1.00 0.00 O ATOM 735 NE2 GLN A 49 8.007 6.922 5.085 1.00 0.00 N ATOM 0 H GLN A 49 7.068 7.755 7.364 1.00 0.00 H new ATOM 0 HA GLN A 49 6.903 10.711 6.972 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.026 10.381 5.511 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.261 10.394 7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.572 8.535 6.371 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.210 7.839 7.226 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.423 6.873 5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.748 6.397 4.250 1.00 0.00 H new ATOM 744 N GLU A 50 6.851 10.167 4.276 1.00 0.00 N ATOM 745 CA GLU A 50 6.242 10.020 2.959 1.00 0.00 C ATOM 746 C GLU A 50 6.824 8.777 2.280 1.00 0.00 C ATOM 747 O GLU A 50 7.966 8.406 2.538 1.00 0.00 O ATOM 748 CB GLU A 50 6.512 11.290 2.099 1.00 0.00 C ATOM 749 CG GLU A 50 5.926 12.567 2.776 1.00 0.00 C ATOM 750 CD GLU A 50 4.395 12.492 2.907 1.00 0.00 C ATOM 751 OE1 GLU A 50 3.752 12.196 1.914 1.00 0.00 O ATOM 752 OE2 GLU A 50 3.892 12.737 3.995 1.00 0.00 O ATOM 0 H GLU A 50 7.555 10.904 4.318 1.00 0.00 H new ATOM 0 HA GLU A 50 5.163 9.904 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.585 11.412 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.069 11.164 1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.370 12.691 3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.198 13.446 2.192 1.00 0.00 H new ATOM 759 N LEU A 51 6.010 8.090 1.458 1.00 0.00 N ATOM 760 CA LEU A 51 6.434 6.836 0.807 1.00 0.00 C ATOM 761 C LEU A 51 7.073 7.150 -0.550 1.00 0.00 C ATOM 762 O LEU A 51 6.481 7.806 -1.410 1.00 0.00 O ATOM 763 CB LEU A 51 5.163 5.953 0.596 1.00 0.00 C ATOM 764 CG LEU A 51 5.432 4.691 -0.304 1.00 0.00 C ATOM 765 CD1 LEU A 51 6.509 3.772 0.338 1.00 0.00 C ATOM 766 CD2 LEU A 51 4.107 3.920 -0.543 1.00 0.00 C ATOM 0 H LEU A 51 5.059 8.380 1.229 1.00 0.00 H new ATOM 0 HA LEU A 51 7.164 6.314 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.789 5.627 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.379 6.558 0.139 1.00 0.00 H new ATOM 0 HG LEU A 51 5.817 5.023 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.678 2.906 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.440 4.327 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.165 3.437 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.301 3.048 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.696 3.598 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.392 4.572 -1.044 1.00 0.00 H new ATOM 778 N THR A 52 8.323 6.687 -0.698 1.00 0.00 N ATOM 779 CA THR A 52 9.112 6.927 -1.874 1.00 0.00 C ATOM 780 C THR A 52 8.722 5.963 -2.965 1.00 0.00 C ATOM 781 O THR A 52 8.018 4.976 -2.757 1.00 0.00 O ATOM 782 CB THR A 52 10.607 6.787 -1.483 1.00 0.00 C ATOM 783 OG1 THR A 52 10.878 7.682 -0.408 1.00 0.00 O ATOM 784 CG2 THR A 52 11.559 7.121 -2.660 1.00 0.00 C ATOM 0 H THR A 52 8.802 6.133 0.012 1.00 0.00 H new ATOM 0 HA THR A 52 8.938 7.931 -2.262 1.00 0.00 H new ATOM 0 HB THR A 52 10.784 5.750 -1.198 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.820 7.605 -0.147 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.593 7.008 -2.335 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.363 6.442 -3.490 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.391 8.148 -2.984 1.00 0.00 H new ATOM 792 N GLU A 53 9.215 6.301 -4.138 1.00 0.00 N ATOM 793 CA GLU A 53 8.970 5.537 -5.331 1.00 0.00 C ATOM 794 C GLU A 53 9.759 4.227 -5.276 1.00 0.00 C ATOM 795 O GLU A 53 9.230 3.179 -5.581 1.00 0.00 O ATOM 796 CB GLU A 53 9.350 6.377 -6.577 1.00 0.00 C ATOM 797 CG GLU A 53 8.473 7.665 -6.669 1.00 0.00 C ATOM 798 CD GLU A 53 6.983 7.325 -6.866 1.00 0.00 C ATOM 799 OE1 GLU A 53 6.683 6.592 -7.796 1.00 0.00 O ATOM 800 OE2 GLU A 53 6.169 7.795 -6.086 1.00 0.00 O ATOM 0 H GLU A 53 9.802 7.122 -4.286 1.00 0.00 H new ATOM 0 HA GLU A 53 7.911 5.290 -5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.403 6.652 -6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.219 5.778 -7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.595 8.254 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.818 8.282 -7.498 1.00 0.00 H new ATOM 807 N HIS A 54 11.054 4.297 -4.948 1.00 0.00 N ATOM 808 CA HIS A 54 11.890 3.069 -4.975 1.00 0.00 C ATOM 809 C HIS A 54 11.254 1.971 -4.104 1.00 0.00 C ATOM 810 O HIS A 54 11.083 0.844 -4.580 1.00 0.00 O ATOM 811 CB HIS A 54 13.326 3.399 -4.481 1.00 0.00 C ATOM 812 CG HIS A 54 14.217 2.179 -4.588 1.00 0.00 C ATOM 813 ND1 HIS A 54 14.656 1.694 -5.810 1.00 0.00 N ATOM 814 CD2 HIS A 54 14.716 1.319 -3.643 1.00 0.00 C ATOM 815 CE1 HIS A 54 15.380 0.585 -5.570 1.00 0.00 C ATOM 816 NE2 HIS A 54 15.449 0.312 -4.266 1.00 0.00 N ATOM 0 H HIS A 54 11.540 5.149 -4.670 1.00 0.00 H new ATOM 0 HA HIS A 54 11.949 2.700 -5.999 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.742 4.214 -5.073 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.291 3.742 -3.447 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.564 1.409 -2.578 1.00 0.00 H new ATOM 0 HE1 HIS A 54 15.848 -0.011 -6.339 1.00 0.00 H new ATOM 0 HE2 HIS A 54 15.934 -0.467 -3.821 1.00 0.00 H new ATOM 824 N GLU A 55 10.893 2.274 -2.847 1.00 0.00 N ATOM 825 CA GLU A 55 10.266 1.272 -1.976 1.00 0.00 C ATOM 826 C GLU A 55 8.925 0.818 -2.573 1.00 0.00 C ATOM 827 O GLU A 55 8.624 -0.379 -2.594 1.00 0.00 O ATOM 828 CB GLU A 55 10.042 1.897 -0.569 1.00 0.00 C ATOM 829 CG GLU A 55 11.403 2.310 0.059 1.00 0.00 C ATOM 830 CD GLU A 55 11.188 2.975 1.427 1.00 0.00 C ATOM 831 OE1 GLU A 55 10.276 3.778 1.533 1.00 0.00 O ATOM 832 OE2 GLU A 55 11.941 2.676 2.343 1.00 0.00 O ATOM 0 H GLU A 55 11.022 3.190 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 55 10.917 0.402 -1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.391 2.768 -0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.537 1.181 0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.039 1.432 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.924 2.997 -0.608 1.00 0.00 H new ATOM 839 N HIS A 56 8.116 1.787 -3.046 1.00 0.00 N ATOM 840 CA HIS A 56 6.799 1.473 -3.622 1.00 0.00 C ATOM 841 C HIS A 56 6.918 0.663 -4.914 1.00 0.00 C ATOM 842 O HIS A 56 6.323 -0.400 -5.012 1.00 0.00 O ATOM 843 CB HIS A 56 6.007 2.784 -3.890 1.00 0.00 C ATOM 844 CG HIS A 56 4.574 2.517 -4.342 1.00 0.00 C ATOM 845 ND1 HIS A 56 4.231 1.449 -5.159 1.00 0.00 N ATOM 846 CD2 HIS A 56 3.398 3.188 -4.101 1.00 0.00 C ATOM 847 CE1 HIS A 56 2.904 1.507 -5.379 1.00 0.00 C ATOM 848 NE2 HIS A 56 2.347 2.548 -4.756 1.00 0.00 N ATOM 0 H HIS A 56 8.350 2.780 -3.040 1.00 0.00 H new ATOM 0 HA HIS A 56 6.262 0.862 -2.897 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.992 3.388 -2.983 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.523 3.367 -4.653 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.303 4.077 -3.495 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.358 0.799 -5.985 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.363 2.817 -4.759 1.00 0.00 H new ATOM 856 N GLN A 57 7.687 1.154 -5.911 1.00 0.00 N ATOM 857 CA GLN A 57 7.827 0.436 -7.189 1.00 0.00 C ATOM 858 C GLN A 57 8.361 -0.985 -6.959 1.00 0.00 C ATOM 859 O GLN A 57 7.921 -1.926 -7.629 1.00 0.00 O ATOM 860 CB GLN A 57 8.746 1.253 -8.162 1.00 0.00 C ATOM 861 CG GLN A 57 7.928 2.281 -9.032 1.00 0.00 C ATOM 862 CD GLN A 57 6.909 3.105 -8.228 1.00 0.00 C ATOM 863 OE1 GLN A 57 5.795 3.343 -8.695 1.00 0.00 O ATOM 864 NE2 GLN A 57 7.230 3.569 -7.066 1.00 0.00 N ATOM 0 H GLN A 57 8.210 2.028 -5.855 1.00 0.00 H new ATOM 0 HA GLN A 57 6.846 0.339 -7.654 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.499 1.788 -7.584 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.278 0.565 -8.820 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.624 2.961 -9.523 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.403 1.739 -9.819 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.152 3.374 -6.676 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.561 4.130 -6.539 1.00 0.00 H new ATOM 873 N GLN A 58 9.303 -1.143 -6.008 1.00 0.00 N ATOM 874 CA GLN A 58 9.872 -2.470 -5.712 1.00 0.00 C ATOM 875 C GLN A 58 8.766 -3.374 -5.154 1.00 0.00 C ATOM 876 O GLN A 58 8.529 -4.478 -5.666 1.00 0.00 O ATOM 877 CB GLN A 58 11.038 -2.314 -4.690 1.00 0.00 C ATOM 878 CG GLN A 58 11.834 -3.645 -4.493 1.00 0.00 C ATOM 879 CD GLN A 58 12.595 -4.030 -5.769 1.00 0.00 C ATOM 880 OE1 GLN A 58 12.143 -4.892 -6.523 1.00 0.00 O ATOM 881 NE2 GLN A 58 13.720 -3.431 -6.059 1.00 0.00 N ATOM 0 H GLN A 58 9.679 -0.383 -5.442 1.00 0.00 H new ATOM 0 HA GLN A 58 10.270 -2.925 -6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.718 -1.534 -5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.637 -1.988 -3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.537 -3.533 -3.667 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.147 -4.446 -4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.094 -2.717 -5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.224 -3.678 -6.911 1.00 0.00 H new ATOM 890 N MET A 59 8.089 -2.908 -4.082 1.00 0.00 N ATOM 891 CA MET A 59 7.027 -3.692 -3.461 1.00 0.00 C ATOM 892 C MET A 59 5.876 -3.924 -4.441 1.00 0.00 C ATOM 893 O MET A 59 5.211 -4.956 -4.418 1.00 0.00 O ATOM 894 CB MET A 59 6.512 -2.961 -2.197 1.00 0.00 C ATOM 895 CG MET A 59 5.642 -3.920 -1.324 1.00 0.00 C ATOM 896 SD MET A 59 6.532 -5.405 -0.738 1.00 0.00 S ATOM 897 CE MET A 59 7.989 -4.607 -0.027 1.00 0.00 C ATOM 0 H MET A 59 8.264 -2.005 -3.642 1.00 0.00 H new ATOM 0 HA MET A 59 7.432 -4.664 -3.178 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.356 -2.594 -1.613 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.924 -2.091 -2.488 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.267 -3.369 -0.461 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.774 -4.234 -1.903 1.00 0.00 H new ATOM 0 HE1 MET A 59 8.407 -5.242 0.754 1.00 0.00 H new ATOM 0 HE2 MET A 59 8.735 -4.452 -0.806 1.00 0.00 H new ATOM 0 HE3 MET A 59 7.705 -3.645 0.400 1.00 0.00 H new ATOM 907 N ARG A 60 5.614 -2.917 -5.264 1.00 0.00 N ATOM 908 CA ARG A 60 4.508 -3.003 -6.225 1.00 0.00 C ATOM 909 C ARG A 60 4.730 -4.217 -7.153 1.00 0.00 C ATOM 910 O ARG A 60 3.807 -5.003 -7.362 1.00 0.00 O ATOM 911 CB ARG A 60 4.478 -1.701 -7.058 1.00 0.00 C ATOM 912 CG ARG A 60 3.232 -1.655 -7.971 1.00 0.00 C ATOM 913 CD ARG A 60 3.264 -0.409 -8.870 1.00 0.00 C ATOM 914 NE ARG A 60 4.380 -0.514 -9.831 1.00 0.00 N ATOM 915 CZ ARG A 60 4.334 -1.325 -10.904 1.00 0.00 C ATOM 916 NH1 ARG A 60 3.278 -2.060 -11.140 1.00 0.00 N ATOM 917 NH2 ARG A 60 5.352 -1.377 -11.720 1.00 0.00 N ATOM 0 H ARG A 60 6.139 -2.043 -5.291 1.00 0.00 H new ATOM 0 HA ARG A 60 3.560 -3.127 -5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.476 -0.839 -6.391 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.381 -1.633 -7.665 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.193 -2.553 -8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.328 -1.647 -7.362 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.319 -0.311 -9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.380 0.487 -8.261 1.00 0.00 H new ATOM 0 HE ARG A 60 5.216 0.049 -9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.479 -2.022 -10.508 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.254 -2.671 -11.956 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.177 -0.805 -11.543 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.322 -1.990 -12.535 1.00 0.00 H new ATOM 931 N ASP A 61 5.947 -4.377 -7.704 1.00 0.00 N ATOM 932 CA ASP A 61 6.247 -5.518 -8.587 1.00 0.00 C ATOM 933 C ASP A 61 6.058 -6.833 -7.814 1.00 0.00 C ATOM 934 O ASP A 61 5.565 -7.829 -8.358 1.00 0.00 O ATOM 935 CB ASP A 61 7.707 -5.384 -9.094 1.00 0.00 C ATOM 936 CG ASP A 61 8.080 -6.526 -10.051 1.00 0.00 C ATOM 937 OD1 ASP A 61 7.597 -6.513 -11.170 1.00 0.00 O ATOM 938 OD2 ASP A 61 8.846 -7.391 -9.650 1.00 0.00 O ATOM 0 H ASP A 61 6.729 -3.739 -7.556 1.00 0.00 H new ATOM 0 HA ASP A 61 5.570 -5.524 -9.441 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.830 -4.428 -9.602 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.389 -5.383 -8.244 1.00 0.00 H new ATOM 943 N ASP A 62 6.424 -6.807 -6.518 1.00 0.00 N ATOM 944 CA ASP A 62 6.275 -7.981 -5.648 1.00 0.00 C ATOM 945 C ASP A 62 4.785 -8.292 -5.490 1.00 0.00 C ATOM 946 O ASP A 62 4.378 -9.447 -5.496 1.00 0.00 O ATOM 947 CB ASP A 62 6.918 -7.715 -4.255 1.00 0.00 C ATOM 948 CG ASP A 62 8.428 -7.453 -4.400 1.00 0.00 C ATOM 949 OD1 ASP A 62 9.041 -8.067 -5.260 1.00 0.00 O ATOM 950 OD2 ASP A 62 8.946 -6.648 -3.642 1.00 0.00 O ATOM 0 H ASP A 62 6.822 -5.989 -6.056 1.00 0.00 H new ATOM 0 HA ASP A 62 6.785 -8.833 -6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.438 -6.857 -3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.753 -8.572 -3.602 1.00 0.00 H new ATOM 955 N LEU A 63 3.976 -7.233 -5.350 1.00 0.00 N ATOM 956 CA LEU A 63 2.524 -7.385 -5.176 1.00 0.00 C ATOM 957 C LEU A 63 1.898 -8.113 -6.364 1.00 0.00 C ATOM 958 O LEU A 63 1.139 -9.064 -6.182 1.00 0.00 O ATOM 959 CB LEU A 63 1.868 -5.981 -5.029 1.00 0.00 C ATOM 960 CG LEU A 63 0.420 -6.062 -4.368 1.00 0.00 C ATOM 961 CD1 LEU A 63 0.519 -5.965 -2.822 1.00 0.00 C ATOM 962 CD2 LEU A 63 -0.498 -4.929 -4.921 1.00 0.00 C ATOM 0 H LEU A 63 4.300 -6.266 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 63 2.349 -7.977 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.509 -5.344 -4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.792 -5.512 -6.010 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.020 -7.025 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.480 -6.022 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.126 -6.788 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.980 -5.017 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.482 -5.000 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.058 -3.959 -4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.596 -5.035 -6.001 1.00 0.00 H new ATOM 974 N GLU A 64 2.224 -7.662 -7.590 1.00 0.00 N ATOM 975 CA GLU A 64 1.668 -8.300 -8.796 1.00 0.00 C ATOM 976 C GLU A 64 2.015 -9.813 -8.810 1.00 0.00 C ATOM 977 O GLU A 64 1.152 -10.643 -9.107 1.00 0.00 O ATOM 978 CB GLU A 64 2.229 -7.589 -10.060 1.00 0.00 C ATOM 979 CG GLU A 64 1.813 -6.084 -10.101 1.00 0.00 C ATOM 980 CD GLU A 64 0.289 -5.923 -10.245 1.00 0.00 C ATOM 981 OE1 GLU A 64 -0.263 -6.529 -11.149 1.00 0.00 O ATOM 982 OE2 GLU A 64 -0.298 -5.198 -9.454 1.00 0.00 O ATOM 0 H GLU A 64 2.853 -6.879 -7.769 1.00 0.00 H new ATOM 0 HA GLU A 64 0.582 -8.205 -8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.316 -7.668 -10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.864 -8.093 -10.955 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.148 -5.588 -9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.312 -5.590 -10.935 1.00 0.00 H new ATOM 989 N LYS A 65 3.273 -10.168 -8.478 1.00 0.00 N ATOM 990 CA LYS A 65 3.719 -11.554 -8.446 1.00 0.00 C ATOM 991 C LYS A 65 2.946 -12.366 -7.386 1.00 0.00 C ATOM 992 O LYS A 65 2.497 -13.487 -7.651 1.00 0.00 O ATOM 993 CB LYS A 65 5.247 -11.510 -8.158 1.00 0.00 C ATOM 994 CG LYS A 65 5.889 -12.948 -8.064 1.00 0.00 C ATOM 995 CD LYS A 65 6.034 -13.416 -6.570 1.00 0.00 C ATOM 996 CE LYS A 65 6.417 -14.908 -6.518 1.00 0.00 C ATOM 997 NZ LYS A 65 6.625 -15.340 -5.105 1.00 0.00 N ATOM 0 H LYS A 65 3.998 -9.496 -8.227 1.00 0.00 H new ATOM 0 HA LYS A 65 3.524 -12.059 -9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.745 -10.945 -8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.422 -10.977 -7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.271 -13.660 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.869 -12.942 -8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.794 -12.819 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.097 -13.254 -6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.632 -15.508 -6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.326 -15.077 -7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.883 -16.347 -5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.390 -14.778 -4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.748 -15.196 -4.565 1.00 0.00 H new ATOM 1011 N GLU A 66 2.776 -11.781 -6.183 1.00 0.00 N ATOM 1012 CA GLU A 66 2.034 -12.448 -5.091 1.00 0.00 C ATOM 1013 C GLU A 66 0.549 -12.597 -5.470 1.00 0.00 C ATOM 1014 O GLU A 66 -0.040 -13.649 -5.254 1.00 0.00 O ATOM 1015 CB GLU A 66 2.177 -11.637 -3.769 1.00 0.00 C ATOM 1016 CG GLU A 66 3.634 -11.713 -3.216 1.00 0.00 C ATOM 1017 CD GLU A 66 3.801 -10.847 -1.955 1.00 0.00 C ATOM 1018 OE1 GLU A 66 2.808 -10.342 -1.447 1.00 0.00 O ATOM 1019 OE2 GLU A 66 4.929 -10.707 -1.512 1.00 0.00 O ATOM 0 H GLU A 66 3.138 -10.858 -5.943 1.00 0.00 H new ATOM 0 HA GLU A 66 2.455 -13.441 -4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.906 -10.596 -3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.482 -12.025 -3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.883 -12.748 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.334 -11.381 -3.983 1.00 0.00 H new ATOM 1026 N ARG A 67 -0.044 -11.536 -6.043 1.00 0.00 N ATOM 1027 CA ARG A 67 -1.465 -11.563 -6.458 1.00 0.00 C ATOM 1028 C ARG A 67 -1.739 -12.750 -7.410 1.00 0.00 C ATOM 1029 O ARG A 67 -2.741 -13.444 -7.258 1.00 0.00 O ATOM 1030 CB ARG A 67 -1.843 -10.203 -7.141 1.00 0.00 C ATOM 1031 CG ARG A 67 -2.058 -9.068 -6.087 1.00 0.00 C ATOM 1032 CD ARG A 67 -2.277 -7.706 -6.798 1.00 0.00 C ATOM 1033 NE ARG A 67 -3.447 -7.793 -7.685 1.00 0.00 N ATOM 1034 CZ ARG A 67 -3.820 -6.795 -8.504 1.00 0.00 C ATOM 1035 NH1 ARG A 67 -3.157 -5.664 -8.547 1.00 0.00 N ATOM 1036 NH2 ARG A 67 -4.860 -6.957 -9.273 1.00 0.00 N ATOM 0 H ARG A 67 0.431 -10.653 -6.230 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.087 -11.698 -5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.054 -9.912 -7.834 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.752 -10.331 -7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.919 -9.302 -5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.192 -9.006 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.426 -6.919 -6.059 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.391 -7.439 -7.374 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.000 -8.650 -7.678 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.340 -5.529 -7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.458 -4.920 -9.176 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.381 -7.834 -9.249 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.153 -6.207 -9.899 1.00 0.00 H new ATOM 1050 N GLU A 68 -0.831 -12.991 -8.376 1.00 0.00 N ATOM 1051 CA GLU A 68 -0.994 -14.111 -9.330 1.00 0.00 C ATOM 1052 C GLU A 68 -1.033 -15.447 -8.562 1.00 0.00 C ATOM 1053 O GLU A 68 -2.055 -16.143 -8.563 1.00 0.00 O ATOM 1054 CB GLU A 68 0.176 -14.087 -10.350 1.00 0.00 C ATOM 1055 CG GLU A 68 -0.028 -15.141 -11.479 1.00 0.00 C ATOM 1056 CD GLU A 68 1.140 -15.096 -12.476 1.00 0.00 C ATOM 1057 OE1 GLU A 68 2.274 -15.106 -12.023 1.00 0.00 O ATOM 1058 OE2 GLU A 68 0.885 -15.057 -13.671 1.00 0.00 O ATOM 0 H GLU A 68 0.012 -12.435 -8.518 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.933 -14.005 -9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.256 -13.093 -10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.115 -14.284 -9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.104 -16.138 -11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.966 -14.948 -12.000 1.00 0.00 H new ATOM 1065 N ASP A 69 0.090 -15.797 -7.914 1.00 0.00 N ATOM 1066 CA ASP A 69 0.185 -17.059 -7.153 1.00 0.00 C ATOM 1067 C ASP A 69 -0.945 -17.165 -6.093 1.00 0.00 C ATOM 1068 O ASP A 69 -1.545 -18.227 -5.922 1.00 0.00 O ATOM 1069 CB ASP A 69 1.580 -17.158 -6.478 1.00 0.00 C ATOM 1070 CG ASP A 69 2.695 -17.015 -7.525 1.00 0.00 C ATOM 1071 OD1 ASP A 69 2.999 -18.001 -8.177 1.00 0.00 O ATOM 1072 OD2 ASP A 69 3.228 -15.923 -7.660 1.00 0.00 O ATOM 0 H ASP A 69 0.939 -15.232 -7.900 1.00 0.00 H new ATOM 0 HA ASP A 69 0.063 -17.891 -7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.681 -16.379 -5.722 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.675 -18.115 -5.965 1.00 0.00 H new ATOM 1077 N LEU A 70 -1.232 -16.055 -5.393 1.00 0.00 N ATOM 1078 CA LEU A 70 -2.289 -16.016 -4.358 1.00 0.00 C ATOM 1079 C LEU A 70 -3.679 -16.282 -4.964 1.00 0.00 C ATOM 1080 O LEU A 70 -4.504 -16.966 -4.355 1.00 0.00 O ATOM 1081 CB LEU A 70 -2.249 -14.627 -3.652 1.00 0.00 C ATOM 1082 CG LEU A 70 -3.325 -14.468 -2.509 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -3.107 -15.505 -1.362 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -3.258 -13.019 -1.937 1.00 0.00 C ATOM 0 H LEU A 70 -0.747 -15.167 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.103 -16.805 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.256 -14.472 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.404 -13.846 -4.396 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.309 -14.655 -2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.868 -15.363 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.182 -16.515 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.119 -15.362 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.000 -12.905 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.264 -12.834 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.463 -12.304 -2.733 1.00 0.00 H new ATOM 1096 N ASP A 71 -3.939 -15.725 -6.157 1.00 0.00 N ATOM 1097 CA ASP A 71 -5.245 -15.895 -6.835 1.00 0.00 C ATOM 1098 C ASP A 71 -5.507 -17.379 -7.108 1.00 0.00 C ATOM 1099 O ASP A 71 -6.568 -17.907 -6.767 1.00 0.00 O ATOM 1100 CB ASP A 71 -5.257 -15.087 -8.163 1.00 0.00 C ATOM 1101 CG ASP A 71 -6.616 -15.194 -8.875 1.00 0.00 C ATOM 1102 OD1 ASP A 71 -7.601 -14.776 -8.288 1.00 0.00 O ATOM 1103 OD2 ASP A 71 -6.652 -15.691 -9.993 1.00 0.00 O ATOM 0 H ASP A 71 -3.270 -15.155 -6.674 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.037 -15.518 -6.187 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.035 -14.040 -7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.470 -15.455 -8.821 1.00 0.00 H new ATOM 1108 N LEU A 72 -4.525 -18.044 -7.721 1.00 0.00 N ATOM 1109 CA LEU A 72 -4.630 -19.472 -8.038 1.00 0.00 C ATOM 1110 C LEU A 72 -4.723 -20.299 -6.741 1.00 0.00 C ATOM 1111 O LEU A 72 -5.547 -21.208 -6.637 1.00 0.00 O ATOM 1112 CB LEU A 72 -3.372 -19.881 -8.848 1.00 0.00 C ATOM 1113 CG LEU A 72 -3.310 -19.172 -10.262 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -1.898 -19.375 -10.889 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -4.396 -19.736 -11.247 1.00 0.00 C ATOM 0 H LEU A 72 -3.645 -17.616 -8.009 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.529 -19.662 -8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.478 -19.628 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.367 -20.962 -8.986 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.509 -18.111 -10.108 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.858 -18.886 -11.862 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.143 -18.941 -10.234 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.704 -20.441 -11.010 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.319 -19.223 -12.206 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.235 -20.804 -11.393 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.388 -19.573 -10.827 1.00 0.00 H new ATOM 1127 N ASP A 73 -3.873 -19.963 -5.758 1.00 0.00 N ATOM 1128 CA ASP A 73 -3.855 -20.663 -4.460 1.00 0.00 C ATOM 1129 C ASP A 73 -4.989 -20.121 -3.586 1.00 0.00 C ATOM 1130 O ASP A 73 -4.784 -19.227 -2.761 1.00 0.00 O ATOM 1131 CB ASP A 73 -2.484 -20.428 -3.771 1.00 0.00 C ATOM 1132 CG ASP A 73 -1.346 -20.976 -4.641 1.00 0.00 C ATOM 1133 OD1 ASP A 73 -1.542 -22.010 -5.259 1.00 0.00 O ATOM 1134 OD2 ASP A 73 -0.297 -20.353 -4.675 1.00 0.00 O ATOM 0 H ASP A 73 -3.188 -19.211 -5.836 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.997 -21.734 -4.607 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.336 -19.362 -3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.472 -20.915 -2.796 1.00 0.00 H new ATOM 1139 N HIS A 74 -6.197 -20.669 -3.782 1.00 0.00 N ATOM 1140 CA HIS A 74 -7.377 -20.242 -3.018 1.00 0.00 C ATOM 1141 C HIS A 74 -7.159 -20.488 -1.527 1.00 0.00 C ATOM 1142 O HIS A 74 -7.466 -19.636 -0.687 1.00 0.00 O ATOM 1143 CB HIS A 74 -8.620 -21.035 -3.498 1.00 0.00 C ATOM 1144 CG HIS A 74 -8.873 -20.765 -4.962 1.00 0.00 C ATOM 1145 ND1 HIS A 74 -9.450 -19.587 -5.405 1.00 0.00 N ATOM 1146 CD2 HIS A 74 -8.622 -21.507 -6.090 1.00 0.00 C ATOM 1147 CE1 HIS A 74 -9.527 -19.652 -6.746 1.00 0.00 C ATOM 1148 NE2 HIS A 74 -9.034 -20.800 -7.215 1.00 0.00 N ATOM 0 H HIS A 74 -6.382 -21.407 -4.461 1.00 0.00 H new ATOM 0 HA HIS A 74 -7.537 -19.176 -3.181 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -8.464 -22.102 -3.338 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -9.493 -20.749 -2.911 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.173 -22.489 -6.102 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.938 -18.870 -7.368 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.972 -21.096 -8.189 1.00 0.00 H new ATOM 1156 N SER A 75 -6.641 -21.678 -1.211 1.00 0.00 N ATOM 1157 CA SER A 75 -6.385 -22.075 0.175 1.00 0.00 C ATOM 1158 C SER A 75 -7.635 -21.863 1.043 1.00 0.00 C ATOM 1159 O SER A 75 -8.715 -21.581 0.521 1.00 0.00 O ATOM 1160 CB SER A 75 -5.196 -21.273 0.735 1.00 0.00 C ATOM 1161 OG SER A 75 -4.908 -21.724 2.051 1.00 0.00 O ATOM 0 H SER A 75 -6.390 -22.386 -1.901 1.00 0.00 H new ATOM 0 HA SER A 75 -6.138 -23.137 0.195 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.323 -21.399 0.095 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.432 -20.209 0.746 1.00 0.00 H new ATOM 0 HG SER A 75 -4.150 -21.218 2.412 1.00 0.00 H new ATOM 1167 N SER A 76 -7.477 -21.995 2.360 1.00 0.00 N ATOM 1168 CA SER A 76 -8.596 -21.809 3.301 1.00 0.00 C ATOM 1169 C SER A 76 -8.060 -21.587 4.721 1.00 0.00 C ATOM 1170 O SER A 76 -8.817 -21.242 5.630 1.00 0.00 O ATOM 1171 CB SER A 76 -9.517 -23.046 3.255 1.00 0.00 C ATOM 1172 OG SER A 76 -10.028 -23.204 1.937 1.00 0.00 O ATOM 0 H SER A 76 -6.589 -22.229 2.805 1.00 0.00 H new ATOM 0 HA SER A 76 -9.171 -20.929 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.963 -23.937 3.552 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.337 -22.929 3.964 1.00 0.00 H new ATOM 0 HG SER A 76 -9.838 -22.398 1.413 1.00 0.00 H new ATOM 1178 N LEU A 77 -6.751 -21.818 4.903 1.00 0.00 N ATOM 1179 CA LEU A 77 -6.099 -21.675 6.214 1.00 0.00 C ATOM 1180 C LEU A 77 -6.058 -20.179 6.662 1.00 0.00 C ATOM 1181 O LEU A 77 -5.885 -19.312 5.803 1.00 0.00 O ATOM 1182 CB LEU A 77 -4.649 -22.236 6.118 1.00 0.00 C ATOM 1183 CG LEU A 77 -4.620 -23.709 5.556 1.00 0.00 C ATOM 1184 CD1 LEU A 77 -3.149 -24.217 5.507 1.00 0.00 C ATOM 1185 CD2 LEU A 77 -5.488 -24.684 6.430 1.00 0.00 C ATOM 0 H LEU A 77 -6.120 -22.106 4.155 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.671 -22.232 6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.053 -21.590 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.187 -22.216 7.105 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.046 -23.694 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.128 -25.235 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.562 -23.569 4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.726 -24.203 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.442 -25.689 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.103 -24.699 7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.523 -24.342 6.438 1.00 0.00 H new ATOM 1197 N PRO A 78 -6.182 -19.838 7.969 1.00 0.00 N ATOM 1198 CA PRO A 78 -6.120 -18.397 8.450 1.00 0.00 C ATOM 1199 C PRO A 78 -5.003 -17.568 7.787 1.00 0.00 C ATOM 1200 O PRO A 78 -4.084 -18.167 7.252 1.00 0.00 O ATOM 1201 CB PRO A 78 -5.871 -18.545 9.978 1.00 0.00 C ATOM 1202 CG PRO A 78 -6.628 -19.792 10.332 1.00 0.00 C ATOM 1203 CD PRO A 78 -6.403 -20.753 9.132 1.00 0.00 C ATOM 1204 OXT PRO A 78 -5.083 -16.352 7.846 1.00 0.00 O ATOM 0 HA PRO A 78 -7.030 -17.853 8.196 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.809 -18.641 10.205 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.239 -17.681 10.531 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.259 -20.227 11.261 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.688 -19.583 10.477 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.543 -21.403 9.297 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.266 -21.400 8.972 1.00 0.00 H new TER 1212 PRO A 78