USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 SER OG : rot 46:sc= 0.316 USER MOD Set 1.2: A 54 MET CE :methyl -116:sc= -0.162 (180deg=-0.208) USER MOD Set 1.3: A 71 GLN : amide:sc= 0.0531 K(o=0.21,f=-0.55) USER MOD Set 2.1: A 28 TYR OH : rot -145:sc= 1.1 USER MOD Set 2.2: A 42 THR OG1 : rot 87:sc= 0.398 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.026 (180deg=-0.251) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -13:sc= 1.12 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 12 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.0017) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 73:sc= 0.65 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0239) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -13:sc= 0.369 USER MOD Single : A 44 MET CE :methyl -142:sc= 0 (180deg=-0.29) USER MOD Single : A 46 TYR OH : rot 3:sc= -1.41! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 1.31 (180deg=1.31) USER MOD Single : A 52 ASN : amide:sc= 0.123 X(o=0.12,f=-0.01) USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= 1.23 (180deg=1.12) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.197 K(o=0.2,f=-2!) USER MOD Single : A 70 HIS : no HD1:sc= -0.334 X(o=-0.33,f=0.074) USER MOD Single : A 74 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-3.9!) USER MOD Single : A 83 THR OG1 : rot 81:sc= 0.0835 USER MOD Single : A 87 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.18) USER MOD Single : A 91 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0262) USER MOD Single : A 92 ASN : amide:sc= -0.0119 K(o=-0.012,f=-1.6) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 96 ASN : amide:sc= -0.769 K(o=-0.77,f=-2.2) USER MOD Single : A 99 HIS : no HD1:sc=-0.00629 X(o=-0.0063,f=-0.0091) USER MOD Single : A 106 LYS NZ :NH3+ 163:sc= 1.23 (180deg=1.12) USER MOD Single : A 109 GLN : amide:sc= -0.0979 K(o=-0.098,f=-2.4!) USER MOD Single : A 110 LYS NZ :NH3+ 162:sc= -0.0265 (180deg=-0.304) USER MOD Single : A 111 ASN : amide:sc= 0.51 K(o=0.51,f=0) USER MOD Single : A 112 ASN : amide:sc= 1.09 K(o=1.1,f=-0.2) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 80:sc= -4.97! USER MOD Single : A 121 LYS NZ :NH3+ -169:sc= -0.0241 (180deg=-0.192) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 ACD O2 : rot -120:sc= 0.635 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.625 18.588 -13.967 1.00 0.00 N ATOM 2 CA MET A 1 15.779 17.148 -13.665 1.00 0.00 C ATOM 3 C MET A 1 15.600 16.881 -12.174 1.00 0.00 C ATOM 4 O MET A 1 16.108 15.890 -11.651 1.00 0.00 O ATOM 5 CB MET A 1 17.156 16.644 -14.123 1.00 0.00 C ATOM 6 CG MET A 1 18.327 17.330 -13.434 1.00 0.00 C ATOM 7 SD MET A 1 19.925 16.670 -13.950 1.00 0.00 S ATOM 8 CE MET A 1 21.036 17.718 -13.014 1.00 0.00 C ATOM 0 H1 MET A 1 15.932 18.773 -14.943 1.00 0.00 H new ATOM 0 H2 MET A 1 14.627 18.860 -13.860 1.00 0.00 H new ATOM 0 H3 MET A 1 16.208 19.145 -13.310 1.00 0.00 H new ATOM 0 HA MET A 1 15.005 16.608 -14.210 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.218 15.571 -13.940 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.245 16.790 -15.200 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.294 18.398 -13.648 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.224 17.218 -12.355 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.067 17.435 -13.224 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.880 18.759 -13.298 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.837 17.599 -11.949 1.00 0.00 H new ATOM 20 N GLU A 2 14.877 17.765 -11.492 1.00 0.00 N ATOM 21 CA GLU A 2 14.643 17.610 -10.066 1.00 0.00 C ATOM 22 C GLU A 2 13.794 16.388 -9.780 1.00 0.00 C ATOM 23 O GLU A 2 12.701 16.234 -10.327 1.00 0.00 O ATOM 24 CB GLU A 2 13.971 18.845 -9.485 1.00 0.00 C ATOM 25 CG GLU A 2 14.883 20.050 -9.426 1.00 0.00 C ATOM 26 CD GLU A 2 16.121 19.790 -8.598 1.00 0.00 C ATOM 27 OE1 GLU A 2 17.222 19.722 -9.176 1.00 0.00 O ATOM 28 OE2 GLU A 2 15.996 19.640 -7.364 1.00 0.00 O ATOM 0 H GLU A 2 14.446 18.592 -11.905 1.00 0.00 H new ATOM 0 HA GLU A 2 15.616 17.481 -9.591 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.095 19.090 -10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.615 18.618 -8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.177 20.331 -10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.338 20.896 -9.006 1.00 0.00 H new ATOM 35 N PHE A 3 14.303 15.519 -8.929 1.00 0.00 N ATOM 36 CA PHE A 3 13.553 14.352 -8.521 1.00 0.00 C ATOM 37 C PHE A 3 12.698 14.682 -7.315 1.00 0.00 C ATOM 38 O PHE A 3 13.198 15.142 -6.287 1.00 0.00 O ATOM 39 CB PHE A 3 14.477 13.178 -8.203 1.00 0.00 C ATOM 40 CG PHE A 3 13.735 11.940 -7.784 1.00 0.00 C ATOM 41 CD1 PHE A 3 13.696 11.549 -6.454 1.00 0.00 C ATOM 42 CD2 PHE A 3 13.069 11.176 -8.723 1.00 0.00 C ATOM 43 CE1 PHE A 3 13.001 10.418 -6.073 1.00 0.00 C ATOM 44 CE2 PHE A 3 12.373 10.042 -8.348 1.00 0.00 C ATOM 45 CZ PHE A 3 12.339 9.663 -7.021 1.00 0.00 C ATOM 0 H PHE A 3 15.229 15.600 -8.509 1.00 0.00 H new ATOM 0 HA PHE A 3 12.911 14.057 -9.351 1.00 0.00 H new ATOM 0 HB2 PHE A 3 15.082 12.952 -9.081 1.00 0.00 H new ATOM 0 HB3 PHE A 3 15.164 13.469 -7.408 1.00 0.00 H new ATOM 0 HD1 PHE A 3 14.214 12.135 -5.709 1.00 0.00 H new ATOM 0 HD2 PHE A 3 13.092 11.468 -9.762 1.00 0.00 H new ATOM 0 HE1 PHE A 3 12.975 10.124 -5.034 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.857 9.454 -9.092 1.00 0.00 H new ATOM 0 HZ PHE A 3 11.796 8.778 -6.725 1.00 0.00 H new ATOM 55 N THR A 4 11.412 14.458 -7.453 1.00 0.00 N ATOM 56 CA THR A 4 10.483 14.685 -6.371 1.00 0.00 C ATOM 57 C THR A 4 9.812 13.382 -5.985 1.00 0.00 C ATOM 58 O THR A 4 9.360 12.619 -6.840 1.00 0.00 O ATOM 59 CB THR A 4 9.407 15.717 -6.746 1.00 0.00 C ATOM 60 OG1 THR A 4 9.847 16.525 -7.849 1.00 0.00 O ATOM 61 CG2 THR A 4 9.124 16.607 -5.556 1.00 0.00 C ATOM 0 H THR A 4 10.982 14.116 -8.312 1.00 0.00 H new ATOM 0 HA THR A 4 11.052 15.079 -5.529 1.00 0.00 H new ATOM 0 HB THR A 4 8.500 15.186 -7.037 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.150 17.176 -8.076 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.361 17.339 -5.822 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.769 15.999 -4.723 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.037 17.125 -5.264 1.00 0.00 H new ATOM 69 N VAL A 5 9.771 13.122 -4.693 1.00 0.00 N ATOM 70 CA VAL A 5 9.143 11.918 -4.181 1.00 0.00 C ATOM 71 C VAL A 5 7.684 12.212 -3.866 1.00 0.00 C ATOM 72 O VAL A 5 7.322 13.348 -3.539 1.00 0.00 O ATOM 73 CB VAL A 5 9.875 11.363 -2.923 1.00 0.00 C ATOM 74 CG1 VAL A 5 11.339 11.776 -2.922 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.199 11.779 -1.623 1.00 0.00 C ATOM 0 H VAL A 5 10.166 13.730 -3.976 1.00 0.00 H new ATOM 0 HA VAL A 5 9.208 11.146 -4.948 1.00 0.00 H new ATOM 0 HB VAL A 5 9.816 10.276 -2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.829 11.377 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.828 11.384 -3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.410 12.864 -2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.750 11.365 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.187 12.867 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.176 11.403 -1.608 1.00 0.00 H new ATOM 85 N SER A 6 6.848 11.199 -4.014 1.00 0.00 N ATOM 86 CA SER A 6 5.425 11.332 -3.757 1.00 0.00 C ATOM 87 C SER A 6 5.164 11.561 -2.268 1.00 0.00 C ATOM 88 O SER A 6 5.101 10.611 -1.486 1.00 0.00 O ATOM 89 CB SER A 6 4.700 10.077 -4.241 1.00 0.00 C ATOM 90 OG SER A 6 5.302 8.911 -3.704 1.00 0.00 O ATOM 0 H SER A 6 7.134 10.267 -4.314 1.00 0.00 H new ATOM 0 HA SER A 6 5.046 12.197 -4.301 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.652 10.120 -3.945 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.723 10.035 -5.330 1.00 0.00 H new ATOM 0 HG SER A 6 5.467 9.039 -2.747 1.00 0.00 H new ATOM 96 N THR A 7 5.039 12.823 -1.885 1.00 0.00 N ATOM 97 CA THR A 7 4.801 13.179 -0.497 1.00 0.00 C ATOM 98 C THR A 7 3.326 13.043 -0.135 1.00 0.00 C ATOM 99 O THR A 7 2.513 12.637 -0.969 1.00 0.00 O ATOM 100 CB THR A 7 5.264 14.620 -0.198 1.00 0.00 C ATOM 101 OG1 THR A 7 4.579 15.548 -1.050 1.00 0.00 O ATOM 102 CG2 THR A 7 6.764 14.760 -0.395 1.00 0.00 C ATOM 0 H THR A 7 5.099 13.619 -2.520 1.00 0.00 H new ATOM 0 HA THR A 7 5.383 12.485 0.110 1.00 0.00 H new ATOM 0 HB THR A 7 5.026 14.841 0.843 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.123 15.059 -1.767 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.065 15.785 -0.178 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.285 14.079 0.278 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.020 14.517 -1.426 1.00 0.00 H new ATOM 110 N THR A 8 2.988 13.379 1.101 1.00 0.00 N ATOM 111 CA THR A 8 1.617 13.321 1.571 1.00 0.00 C ATOM 112 C THR A 8 0.685 14.129 0.665 1.00 0.00 C ATOM 113 O THR A 8 -0.443 13.713 0.388 1.00 0.00 O ATOM 114 CB THR A 8 1.533 13.849 3.012 1.00 0.00 C ATOM 115 OG1 THR A 8 2.668 13.393 3.758 1.00 0.00 O ATOM 116 CG2 THR A 8 0.261 13.371 3.688 1.00 0.00 C ATOM 0 H THR A 8 3.656 13.698 1.803 1.00 0.00 H new ATOM 0 HA THR A 8 1.295 12.280 1.546 1.00 0.00 H new ATOM 0 HB THR A 8 1.523 14.938 2.980 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.614 13.732 4.676 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.223 13.757 4.707 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.604 13.731 3.131 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.249 12.281 3.712 1.00 0.00 H new ATOM 124 N GLU A 9 1.173 15.267 0.179 1.00 0.00 N ATOM 125 CA GLU A 9 0.394 16.120 -0.708 1.00 0.00 C ATOM 126 C GLU A 9 0.099 15.413 -2.024 1.00 0.00 C ATOM 127 O GLU A 9 -1.040 15.414 -2.495 1.00 0.00 O ATOM 128 CB GLU A 9 1.124 17.436 -0.968 1.00 0.00 C ATOM 129 CG GLU A 9 1.295 18.280 0.280 1.00 0.00 C ATOM 130 CD GLU A 9 -0.027 18.574 0.949 1.00 0.00 C ATOM 131 OE1 GLU A 9 -0.430 17.806 1.840 1.00 0.00 O ATOM 132 OE2 GLU A 9 -0.681 19.571 0.577 1.00 0.00 O ATOM 0 H GLU A 9 2.108 15.619 0.386 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.554 16.338 -0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.105 17.222 -1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.573 18.009 -1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.949 17.762 0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.786 19.218 0.019 1.00 0.00 H new ATOM 139 N ASP A 10 1.124 14.801 -2.606 1.00 0.00 N ATOM 140 CA ASP A 10 0.967 14.052 -3.847 1.00 0.00 C ATOM 141 C ASP A 10 0.024 12.885 -3.624 1.00 0.00 C ATOM 142 O ASP A 10 -0.821 12.577 -4.465 1.00 0.00 O ATOM 143 CB ASP A 10 2.313 13.524 -4.354 1.00 0.00 C ATOM 144 CG ASP A 10 3.353 14.610 -4.525 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.062 14.918 -3.543 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.476 15.154 -5.639 1.00 0.00 O ATOM 0 H ASP A 10 2.075 14.809 -2.237 1.00 0.00 H new ATOM 0 HA ASP A 10 0.557 14.727 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.689 12.776 -3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.162 13.021 -5.309 1.00 0.00 H new ATOM 151 N LEU A 11 0.168 12.252 -2.467 1.00 0.00 N ATOM 152 CA LEU A 11 -0.658 11.116 -2.106 1.00 0.00 C ATOM 153 C LEU A 11 -2.130 11.511 -2.051 1.00 0.00 C ATOM 154 O LEU A 11 -2.977 10.819 -2.610 1.00 0.00 O ATOM 155 CB LEU A 11 -0.200 10.521 -0.771 1.00 0.00 C ATOM 156 CG LEU A 11 -1.046 9.361 -0.260 1.00 0.00 C ATOM 157 CD1 LEU A 11 -0.956 8.183 -1.215 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.601 8.960 1.137 1.00 0.00 C ATOM 0 H LEU A 11 0.856 12.512 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.545 10.352 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.830 10.181 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.200 11.310 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.087 9.680 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.565 7.361 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.320 8.483 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.081 7.858 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.214 8.130 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.445 8.654 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.715 9.808 1.812 1.00 0.00 H new ATOM 170 N GLN A 12 -2.424 12.654 -1.426 1.00 0.00 N ATOM 171 CA GLN A 12 -3.804 13.111 -1.280 1.00 0.00 C ATOM 172 C GLN A 12 -4.442 13.334 -2.643 1.00 0.00 C ATOM 173 O GLN A 12 -5.645 13.137 -2.820 1.00 0.00 O ATOM 174 CB GLN A 12 -3.884 14.406 -0.465 1.00 0.00 C ATOM 175 CG GLN A 12 -3.524 14.258 1.006 1.00 0.00 C ATOM 176 CD GLN A 12 -3.816 15.518 1.801 1.00 0.00 C ATOM 177 OE1 GLN A 12 -4.912 15.688 2.331 1.00 0.00 O ATOM 178 NE2 GLN A 12 -2.844 16.409 1.891 1.00 0.00 N ATOM 0 H GLN A 12 -1.727 13.276 -1.016 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.347 12.331 -0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.219 15.143 -0.915 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.896 14.803 -0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.083 13.425 1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.466 14.012 1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.947 16.233 1.438 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.990 17.272 2.414 1.00 0.00 H new ATOM 187 N ARG A 13 -3.620 13.734 -3.602 1.00 0.00 N ATOM 188 CA ARG A 13 -4.079 13.977 -4.959 1.00 0.00 C ATOM 189 C ARG A 13 -4.548 12.676 -5.602 1.00 0.00 C ATOM 190 O ARG A 13 -5.608 12.629 -6.224 1.00 0.00 O ATOM 191 CB ARG A 13 -2.956 14.598 -5.786 1.00 0.00 C ATOM 192 CG ARG A 13 -3.399 15.068 -7.159 1.00 0.00 C ATOM 193 CD ARG A 13 -4.347 16.245 -7.054 1.00 0.00 C ATOM 194 NE ARG A 13 -4.725 16.770 -8.362 1.00 0.00 N ATOM 195 CZ ARG A 13 -5.535 17.811 -8.536 1.00 0.00 C ATOM 196 NH1 ARG A 13 -6.070 18.418 -7.484 1.00 0.00 N ATOM 197 NH2 ARG A 13 -5.813 18.237 -9.761 1.00 0.00 N ATOM 0 H ARG A 13 -2.623 13.898 -3.462 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.920 14.670 -4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.539 15.444 -5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.156 13.867 -5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.527 15.351 -7.749 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.888 14.249 -7.687 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.244 15.940 -6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.877 17.036 -6.469 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.346 16.312 -9.191 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.860 18.086 -6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.691 19.216 -7.617 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.406 17.766 -10.569 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.434 19.035 -9.895 1.00 0.00 H new ATOM 211 N TYR A 14 -3.768 11.617 -5.417 1.00 0.00 N ATOM 212 CA TYR A 14 -4.070 10.331 -6.029 1.00 0.00 C ATOM 213 C TYR A 14 -5.303 9.695 -5.398 1.00 0.00 C ATOM 214 O TYR A 14 -6.114 9.076 -6.090 1.00 0.00 O ATOM 215 CB TYR A 14 -2.883 9.375 -5.901 1.00 0.00 C ATOM 216 CG TYR A 14 -1.580 9.924 -6.452 1.00 0.00 C ATOM 217 CD1 TYR A 14 -0.378 9.724 -5.780 1.00 0.00 C ATOM 218 CD2 TYR A 14 -1.553 10.647 -7.639 1.00 0.00 C ATOM 219 CE1 TYR A 14 0.809 10.228 -6.277 1.00 0.00 C ATOM 220 CE2 TYR A 14 -0.369 11.151 -8.142 1.00 0.00 C ATOM 221 CZ TYR A 14 0.807 10.939 -7.459 1.00 0.00 C ATOM 222 OH TYR A 14 1.988 11.443 -7.955 1.00 0.00 O ATOM 0 H TYR A 14 -2.922 11.625 -4.848 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.271 10.514 -7.085 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.743 9.126 -4.849 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.121 8.446 -6.420 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.373 9.166 -4.855 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.474 10.818 -8.177 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.733 10.066 -5.743 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.366 11.709 -9.067 1.00 0.00 H new ATOM 0 HH TYR A 14 1.814 11.917 -8.795 1.00 0.00 H new ATOM 232 N ARG A 15 -5.451 9.860 -4.087 1.00 0.00 N ATOM 233 CA ARG A 15 -6.565 9.259 -3.367 1.00 0.00 C ATOM 234 C ARG A 15 -7.892 9.812 -3.870 1.00 0.00 C ATOM 235 O ARG A 15 -8.882 9.092 -3.932 1.00 0.00 O ATOM 236 CB ARG A 15 -6.453 9.487 -1.856 1.00 0.00 C ATOM 237 CG ARG A 15 -5.059 9.263 -1.301 1.00 0.00 C ATOM 238 CD ARG A 15 -5.043 9.336 0.222 1.00 0.00 C ATOM 239 NE ARG A 15 -5.561 10.603 0.729 1.00 0.00 N ATOM 240 CZ ARG A 15 -5.602 10.919 2.021 1.00 0.00 C ATOM 241 NH1 ARG A 15 -5.202 10.045 2.939 1.00 0.00 N ATOM 242 NH2 ARG A 15 -6.071 12.102 2.400 1.00 0.00 N ATOM 0 H ARG A 15 -4.814 10.404 -3.504 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.526 8.186 -3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.764 10.507 -1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.148 8.820 -1.346 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.691 8.289 -1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.380 10.011 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.637 8.517 0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.022 9.197 0.578 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.911 11.284 0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.861 9.127 2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.236 10.293 3.928 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.400 12.768 1.701 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.103 12.345 3.390 1.00 0.00 H new ATOM 256 N THR A 16 -7.900 11.081 -4.260 1.00 0.00 N ATOM 257 CA THR A 16 -9.108 11.723 -4.738 1.00 0.00 C ATOM 258 C THR A 16 -9.556 11.119 -6.066 1.00 0.00 C ATOM 259 O THR A 16 -10.749 10.886 -6.281 1.00 0.00 O ATOM 260 CB THR A 16 -8.882 13.228 -4.916 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.286 13.776 -3.732 1.00 0.00 O ATOM 262 CG2 THR A 16 -10.191 13.940 -5.202 1.00 0.00 C ATOM 0 H THR A 16 -7.077 11.684 -4.253 1.00 0.00 H new ATOM 0 HA THR A 16 -9.888 11.560 -3.994 1.00 0.00 H new ATOM 0 HB THR A 16 -8.213 13.375 -5.764 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.347 13.501 -3.681 1.00 0.00 H new ATOM 0 HG21 THR A 16 -10.006 15.007 -5.325 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.630 13.541 -6.116 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.879 13.784 -4.371 1.00 0.00 H new ATOM 270 N GLU A 17 -8.599 10.857 -6.950 1.00 0.00 N ATOM 271 CA GLU A 17 -8.911 10.267 -8.247 1.00 0.00 C ATOM 272 C GLU A 17 -9.451 8.853 -8.062 1.00 0.00 C ATOM 273 O GLU A 17 -10.348 8.422 -8.786 1.00 0.00 O ATOM 274 CB GLU A 17 -7.682 10.237 -9.166 1.00 0.00 C ATOM 275 CG GLU A 17 -6.762 11.437 -9.021 1.00 0.00 C ATOM 276 CD GLU A 17 -5.657 11.442 -10.058 1.00 0.00 C ATOM 277 OE1 GLU A 17 -5.488 12.468 -10.750 1.00 0.00 O ATOM 278 OE2 GLU A 17 -4.968 10.414 -10.206 1.00 0.00 O ATOM 0 H GLU A 17 -7.608 11.042 -6.794 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.670 10.890 -8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.112 9.331 -8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.018 10.175 -10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.346 12.353 -9.111 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.322 11.436 -8.024 1.00 0.00 H new ATOM 285 N CYS A 18 -8.919 8.139 -7.076 1.00 0.00 N ATOM 286 CA CYS A 18 -9.387 6.793 -6.775 1.00 0.00 C ATOM 287 C CYS A 18 -10.757 6.833 -6.110 1.00 0.00 C ATOM 288 O CYS A 18 -11.601 5.970 -6.353 1.00 0.00 O ATOM 289 CB CYS A 18 -8.386 6.056 -5.886 1.00 0.00 C ATOM 290 SG CYS A 18 -6.785 5.748 -6.696 1.00 0.00 S ATOM 0 H CYS A 18 -8.165 8.470 -6.473 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.476 6.250 -7.716 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.220 6.638 -4.980 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.818 5.104 -5.578 1.00 0.00 H new ATOM 295 N VAL A 19 -10.984 7.856 -5.297 1.00 0.00 N ATOM 296 CA VAL A 19 -12.246 8.015 -4.598 1.00 0.00 C ATOM 297 C VAL A 19 -13.382 8.271 -5.579 1.00 0.00 C ATOM 298 O VAL A 19 -14.382 7.550 -5.590 1.00 0.00 O ATOM 299 CB VAL A 19 -12.171 9.152 -3.549 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.552 9.697 -3.222 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.490 8.649 -2.286 1.00 0.00 C ATOM 0 H VAL A 19 -10.303 8.591 -5.106 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.448 7.083 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.584 9.966 -3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.463 10.493 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.011 10.092 -4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.173 8.897 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.441 9.455 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.059 7.817 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.481 8.315 -2.525 1.00 0.00 H new ATOM 311 N SER A 20 -13.201 9.273 -6.426 1.00 0.00 N ATOM 312 CA SER A 20 -14.215 9.660 -7.394 1.00 0.00 C ATOM 313 C SER A 20 -14.443 8.560 -8.441 1.00 0.00 C ATOM 314 O SER A 20 -15.480 8.527 -9.102 1.00 0.00 O ATOM 315 CB SER A 20 -13.787 10.970 -8.066 1.00 0.00 C ATOM 316 OG SER A 20 -14.777 11.463 -8.956 1.00 0.00 O ATOM 0 H SER A 20 -12.352 9.838 -6.462 1.00 0.00 H new ATOM 0 HA SER A 20 -15.162 9.806 -6.874 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.583 11.719 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.857 10.810 -8.612 1.00 0.00 H new ATOM 0 HG SER A 20 -14.465 12.299 -9.361 1.00 0.00 H new ATOM 322 N SER A 21 -13.479 7.656 -8.585 1.00 0.00 N ATOM 323 CA SER A 21 -13.574 6.598 -9.578 1.00 0.00 C ATOM 324 C SER A 21 -14.249 5.353 -8.998 1.00 0.00 C ATOM 325 O SER A 21 -15.163 4.792 -9.600 1.00 0.00 O ATOM 326 CB SER A 21 -12.176 6.251 -10.091 1.00 0.00 C ATOM 327 OG SER A 21 -12.223 5.294 -11.133 1.00 0.00 O ATOM 0 H SER A 21 -12.626 7.637 -8.027 1.00 0.00 H new ATOM 0 HA SER A 21 -14.188 6.954 -10.405 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.685 7.156 -10.450 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.572 5.865 -9.270 1.00 0.00 H new ATOM 0 HG SER A 21 -11.313 5.097 -11.438 1.00 0.00 H new ATOM 333 N LEU A 22 -13.811 4.934 -7.817 1.00 0.00 N ATOM 334 CA LEU A 22 -14.275 3.679 -7.235 1.00 0.00 C ATOM 335 C LEU A 22 -15.544 3.860 -6.402 1.00 0.00 C ATOM 336 O LEU A 22 -15.927 2.967 -5.644 1.00 0.00 O ATOM 337 CB LEU A 22 -13.164 3.071 -6.383 1.00 0.00 C ATOM 338 CG LEU A 22 -11.932 2.632 -7.169 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.798 2.284 -6.223 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.266 1.443 -8.049 1.00 0.00 C ATOM 0 H LEU A 22 -13.137 5.442 -7.244 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.526 3.005 -8.054 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.859 3.800 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.564 2.210 -5.848 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.613 3.458 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.926 1.973 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.543 3.158 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.108 1.471 -5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.378 1.140 -8.604 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.605 0.614 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.055 1.719 -8.749 1.00 0.00 H new ATOM 352 N ASN A 23 -16.195 5.012 -6.564 1.00 0.00 N ATOM 353 CA ASN A 23 -17.430 5.333 -5.838 1.00 0.00 C ATOM 354 C ASN A 23 -17.236 5.221 -4.326 1.00 0.00 C ATOM 355 O ASN A 23 -18.118 4.741 -3.609 1.00 0.00 O ATOM 356 CB ASN A 23 -18.582 4.422 -6.277 1.00 0.00 C ATOM 357 CG ASN A 23 -18.906 4.540 -7.753 1.00 0.00 C ATOM 358 OD1 ASN A 23 -19.659 5.418 -8.166 1.00 0.00 O ATOM 359 ND2 ASN A 23 -18.363 3.639 -8.557 1.00 0.00 N ATOM 0 H ASN A 23 -15.885 5.748 -7.199 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.682 6.365 -6.081 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.326 3.387 -6.049 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.471 4.665 -5.696 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -18.566 3.659 -9.556 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -17.742 2.925 -8.177 1.00 0.00 H new ATOM 366 N ILE A 24 -16.077 5.657 -3.847 1.00 0.00 N ATOM 367 CA ILE A 24 -15.757 5.590 -2.431 1.00 0.00 C ATOM 368 C ILE A 24 -16.545 6.642 -1.647 1.00 0.00 C ATOM 369 O ILE A 24 -16.424 7.842 -1.908 1.00 0.00 O ATOM 370 CB ILE A 24 -14.248 5.807 -2.193 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.412 4.904 -3.114 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.903 5.542 -0.734 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.608 3.421 -2.874 1.00 0.00 C ATOM 0 H ILE A 24 -15.341 6.063 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.033 4.595 -2.081 1.00 0.00 H new ATOM 0 HB ILE A 24 -14.009 6.844 -2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.663 5.129 -4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.357 5.146 -2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.836 5.698 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.466 6.224 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.160 4.513 -0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.983 2.855 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.328 3.178 -1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.654 3.161 -3.036 1.00 0.00 H new ATOM 385 N PRO A 25 -17.374 6.201 -0.684 1.00 0.00 N ATOM 386 CA PRO A 25 -18.157 7.104 0.166 1.00 0.00 C ATOM 387 C PRO A 25 -17.265 8.000 1.018 1.00 0.00 C ATOM 388 O PRO A 25 -16.184 7.597 1.459 1.00 0.00 O ATOM 389 CB PRO A 25 -18.975 6.164 1.057 1.00 0.00 C ATOM 390 CG PRO A 25 -18.895 4.822 0.422 1.00 0.00 C ATOM 391 CD PRO A 25 -17.606 4.789 -0.351 1.00 0.00 C ATOM 0 HA PRO A 25 -18.774 7.781 -0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.574 6.140 2.070 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -20.010 6.499 1.131 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.915 4.035 1.176 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.747 4.654 -0.237 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.791 4.377 0.244 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.690 4.173 -1.246 1.00 0.00 H new ATOM 399 N ALA A 26 -17.741 9.222 1.241 1.00 0.00 N ATOM 400 CA ALA A 26 -17.011 10.234 1.997 1.00 0.00 C ATOM 401 C ALA A 26 -16.651 9.738 3.391 1.00 0.00 C ATOM 402 O ALA A 26 -15.626 10.129 3.944 1.00 0.00 O ATOM 403 CB ALA A 26 -17.843 11.495 2.097 1.00 0.00 C ATOM 0 H ALA A 26 -18.649 9.539 0.900 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.082 10.447 1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.295 12.249 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -18.052 11.873 1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.782 11.272 2.605 1.00 0.00 H new ATOM 409 N ASP A 27 -17.510 8.890 3.951 1.00 0.00 N ATOM 410 CA ASP A 27 -17.257 8.268 5.255 1.00 0.00 C ATOM 411 C ASP A 27 -15.884 7.606 5.279 1.00 0.00 C ATOM 412 O ASP A 27 -15.091 7.824 6.196 1.00 0.00 O ATOM 413 CB ASP A 27 -18.324 7.220 5.578 1.00 0.00 C ATOM 414 CG ASP A 27 -19.701 7.819 5.774 1.00 0.00 C ATOM 415 OD1 ASP A 27 -20.544 7.697 4.861 1.00 0.00 O ATOM 416 OD2 ASP A 27 -19.951 8.418 6.839 1.00 0.00 O ATOM 0 H ASP A 27 -18.393 8.614 3.522 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.292 9.057 6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.363 6.489 4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.036 6.682 6.481 1.00 0.00 H new ATOM 421 N TYR A 28 -15.614 6.796 4.258 1.00 0.00 N ATOM 422 CA TYR A 28 -14.323 6.137 4.104 1.00 0.00 C ATOM 423 C TYR A 28 -13.191 7.154 4.012 1.00 0.00 C ATOM 424 O TYR A 28 -12.137 6.975 4.616 1.00 0.00 O ATOM 425 CB TYR A 28 -14.325 5.272 2.841 1.00 0.00 C ATOM 426 CG TYR A 28 -14.988 3.922 3.001 1.00 0.00 C ATOM 427 CD1 TYR A 28 -16.364 3.814 3.148 1.00 0.00 C ATOM 428 CD2 TYR A 28 -14.240 2.752 2.975 1.00 0.00 C ATOM 429 CE1 TYR A 28 -16.975 2.580 3.264 1.00 0.00 C ATOM 430 CE2 TYR A 28 -14.843 1.518 3.096 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.208 1.436 3.240 1.00 0.00 C ATOM 432 OH TYR A 28 -16.812 0.205 3.338 1.00 0.00 O ATOM 0 H TYR A 28 -16.282 6.580 3.518 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.160 5.513 4.983 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.830 5.818 2.044 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.295 5.120 2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -16.967 4.709 3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -13.168 2.810 2.858 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -18.047 2.513 3.373 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -14.245 0.619 3.078 1.00 0.00 H new ATOM 0 HH TYR A 28 -16.233 -0.404 3.842 1.00 0.00 H new ATOM 442 N VAL A 29 -13.427 8.226 3.262 1.00 0.00 N ATOM 443 CA VAL A 29 -12.408 9.239 3.004 1.00 0.00 C ATOM 444 C VAL A 29 -11.941 9.907 4.300 1.00 0.00 C ATOM 445 O VAL A 29 -10.756 10.208 4.466 1.00 0.00 O ATOM 446 CB VAL A 29 -12.932 10.301 2.026 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.843 11.302 1.686 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.456 9.639 0.767 1.00 0.00 C ATOM 0 H VAL A 29 -14.325 8.417 2.818 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.553 8.734 2.554 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.750 10.839 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.236 12.045 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.507 11.798 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.003 10.783 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.825 10.402 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.652 9.079 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.268 8.959 1.024 1.00 0.00 H new ATOM 458 N GLU A 30 -12.876 10.142 5.217 1.00 0.00 N ATOM 459 CA GLU A 30 -12.536 10.686 6.532 1.00 0.00 C ATOM 460 C GLU A 30 -11.641 9.715 7.290 1.00 0.00 C ATOM 461 O GLU A 30 -10.708 10.119 7.984 1.00 0.00 O ATOM 462 CB GLU A 30 -13.788 10.949 7.358 1.00 0.00 C ATOM 463 CG GLU A 30 -14.922 11.548 6.560 1.00 0.00 C ATOM 464 CD GLU A 30 -16.110 11.894 7.427 1.00 0.00 C ATOM 465 OE1 GLU A 30 -17.009 11.042 7.575 1.00 0.00 O ATOM 466 OE2 GLU A 30 -16.151 13.018 7.970 1.00 0.00 O ATOM 0 H GLU A 30 -13.871 9.966 5.076 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.011 11.628 6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.123 10.012 7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.537 11.621 8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.571 12.446 6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.231 10.845 5.787 1.00 0.00 H new ATOM 473 N LYS A 31 -11.931 8.431 7.138 1.00 0.00 N ATOM 474 CA LYS A 31 -11.190 7.386 7.830 1.00 0.00 C ATOM 475 C LYS A 31 -9.742 7.338 7.363 1.00 0.00 C ATOM 476 O LYS A 31 -8.824 7.270 8.176 1.00 0.00 O ATOM 477 CB LYS A 31 -11.848 6.022 7.623 1.00 0.00 C ATOM 478 CG LYS A 31 -13.269 5.956 8.148 1.00 0.00 C ATOM 479 CD LYS A 31 -13.816 4.537 8.111 1.00 0.00 C ATOM 480 CE LYS A 31 -15.277 4.493 8.540 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.803 3.106 8.589 1.00 0.00 N ATOM 0 H LYS A 31 -12.680 8.086 6.537 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.204 7.625 8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.850 5.785 6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.249 5.258 8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.297 6.330 9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.908 6.608 7.552 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.719 4.134 7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.223 3.900 8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.380 4.954 9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.876 5.083 7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.800 3.123 8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.729 2.673 7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.249 2.548 9.270 1.00 0.00 H new ATOM 495 N PHE A 32 -9.546 7.388 6.050 1.00 0.00 N ATOM 496 CA PHE A 32 -8.211 7.335 5.462 1.00 0.00 C ATOM 497 C PHE A 32 -7.341 8.487 5.964 1.00 0.00 C ATOM 498 O PHE A 32 -6.132 8.336 6.146 1.00 0.00 O ATOM 499 CB PHE A 32 -8.298 7.371 3.935 1.00 0.00 C ATOM 500 CG PHE A 32 -9.188 6.307 3.352 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.212 5.033 3.893 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.996 6.580 2.259 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.022 4.051 3.360 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.811 5.600 1.720 1.00 0.00 C ATOM 505 CZ PHE A 32 -10.823 4.334 2.271 1.00 0.00 C ATOM 0 H PHE A 32 -10.300 7.466 5.368 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.748 6.398 5.769 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.665 8.349 3.624 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.296 7.260 3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.588 4.804 4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.989 7.568 1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.030 3.062 3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.437 5.825 0.869 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.457 3.567 1.851 1.00 0.00 H new ATOM 515 N LYS A 33 -7.971 9.630 6.210 1.00 0.00 N ATOM 516 CA LYS A 33 -7.277 10.800 6.735 1.00 0.00 C ATOM 517 C LYS A 33 -6.788 10.547 8.164 1.00 0.00 C ATOM 518 O LYS A 33 -5.926 11.262 8.674 1.00 0.00 O ATOM 519 CB LYS A 33 -8.205 12.015 6.709 1.00 0.00 C ATOM 520 CG LYS A 33 -7.472 13.326 6.941 1.00 0.00 C ATOM 521 CD LYS A 33 -8.394 14.529 6.791 1.00 0.00 C ATOM 522 CE LYS A 33 -9.567 14.476 7.761 1.00 0.00 C ATOM 523 NZ LYS A 33 -9.132 14.558 9.180 1.00 0.00 N ATOM 0 H LYS A 33 -8.969 9.772 6.053 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.410 10.996 6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.715 12.055 5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.974 11.895 7.472 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.036 13.326 7.940 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.647 13.411 6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.826 15.444 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.771 14.571 5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.251 15.297 7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.121 13.550 7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.968 14.603 9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.570 13.717 9.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.554 15.411 9.317 1.00 0.00 H new ATOM 537 N LYS A 34 -7.332 9.519 8.801 1.00 0.00 N ATOM 538 CA LYS A 34 -6.970 9.188 10.171 1.00 0.00 C ATOM 539 C LYS A 34 -6.286 7.823 10.230 1.00 0.00 C ATOM 540 O LYS A 34 -6.282 7.163 11.272 1.00 0.00 O ATOM 541 CB LYS A 34 -8.220 9.206 11.058 1.00 0.00 C ATOM 542 CG LYS A 34 -8.806 10.599 11.242 1.00 0.00 C ATOM 543 CD LYS A 34 -10.072 10.579 12.084 1.00 0.00 C ATOM 544 CE LYS A 34 -11.206 9.845 11.386 1.00 0.00 C ATOM 545 NZ LYS A 34 -12.449 9.836 12.203 1.00 0.00 N ATOM 0 H LYS A 34 -8.028 8.898 8.388 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.267 9.934 10.541 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.977 8.555 10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.970 8.792 12.035 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.066 11.244 11.716 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.027 11.031 10.266 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.864 10.100 13.041 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.380 11.602 12.300 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.407 10.318 10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.901 8.819 11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.197 9.326 11.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.265 9.362 13.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.755 10.814 12.380 1.00 0.00 H new ATOM 559 N TRP A 35 -5.698 7.429 9.099 1.00 0.00 N ATOM 560 CA TRP A 35 -5.062 6.119 8.940 1.00 0.00 C ATOM 561 C TRP A 35 -5.965 4.984 9.428 1.00 0.00 C ATOM 562 O TRP A 35 -5.537 4.105 10.176 1.00 0.00 O ATOM 563 CB TRP A 35 -3.716 6.083 9.664 1.00 0.00 C ATOM 564 CG TRP A 35 -2.693 7.000 9.061 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.521 8.322 9.347 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.708 6.672 8.069 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.487 8.835 8.604 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.973 7.844 7.813 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.372 5.504 7.376 1.00 0.00 C ATOM 570 CZ2 TRP A 35 0.074 7.884 6.898 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.333 5.546 6.466 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.381 6.726 6.233 1.00 0.00 C ATOM 0 H TRP A 35 -5.649 8.012 8.263 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.892 5.966 7.874 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.866 6.354 10.709 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.332 5.063 9.652 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.112 8.884 10.055 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.155 9.799 8.636 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.915 4.586 7.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.625 8.795 6.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.067 4.650 5.924 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.189 6.724 5.516 1.00 0.00 H new ATOM 583 N GLU A 36 -7.212 5.013 8.991 1.00 0.00 N ATOM 584 CA GLU A 36 -8.182 3.992 9.344 1.00 0.00 C ATOM 585 C GLU A 36 -8.681 3.311 8.080 1.00 0.00 C ATOM 586 O GLU A 36 -9.393 3.912 7.275 1.00 0.00 O ATOM 587 CB GLU A 36 -9.350 4.615 10.107 1.00 0.00 C ATOM 588 CG GLU A 36 -10.405 3.616 10.538 1.00 0.00 C ATOM 589 CD GLU A 36 -9.919 2.675 11.617 1.00 0.00 C ATOM 590 OE1 GLU A 36 -9.402 1.588 11.282 1.00 0.00 O ATOM 591 OE2 GLU A 36 -10.057 3.020 12.811 1.00 0.00 O ATOM 0 H GLU A 36 -7.580 5.744 8.382 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.707 3.251 9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.964 5.124 10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.817 5.374 9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.281 4.154 10.900 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.723 3.035 9.672 1.00 0.00 H new ATOM 598 N PHE A 37 -8.288 2.066 7.902 1.00 0.00 N ATOM 599 CA PHE A 37 -8.622 1.326 6.692 1.00 0.00 C ATOM 600 C PHE A 37 -9.529 0.145 7.015 1.00 0.00 C ATOM 601 O PHE A 37 -9.054 -0.892 7.481 1.00 0.00 O ATOM 602 CB PHE A 37 -7.336 0.833 6.013 1.00 0.00 C ATOM 603 CG PHE A 37 -6.341 1.934 5.764 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.458 2.320 6.761 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.292 2.588 4.543 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.550 3.338 6.546 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.385 3.605 4.323 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.512 3.982 5.325 1.00 0.00 C ATOM 0 H PHE A 37 -7.735 1.540 8.579 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.155 1.991 6.013 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.874 0.068 6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.591 0.361 5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.481 1.818 7.717 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.971 2.299 3.755 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.870 3.630 7.332 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.358 4.106 3.367 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.802 4.778 5.154 1.00 0.00 H new ATOM 618 N PRO A 38 -10.850 0.297 6.817 1.00 0.00 N ATOM 619 CA PRO A 38 -11.810 -0.795 7.013 1.00 0.00 C ATOM 620 C PRO A 38 -11.498 -2.007 6.148 1.00 0.00 C ATOM 621 O PRO A 38 -11.098 -1.881 4.988 1.00 0.00 O ATOM 622 CB PRO A 38 -13.146 -0.183 6.604 1.00 0.00 C ATOM 623 CG PRO A 38 -12.959 1.279 6.791 1.00 0.00 C ATOM 624 CD PRO A 38 -11.526 1.545 6.413 1.00 0.00 C ATOM 0 HA PRO A 38 -11.793 -1.164 8.039 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.392 -0.422 5.569 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.961 -0.561 7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.644 1.847 6.162 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.155 1.572 7.822 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.417 1.738 5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.123 2.412 6.936 1.00 0.00 H new ATOM 632 N GLU A 39 -11.692 -3.178 6.720 1.00 0.00 N ATOM 633 CA GLU A 39 -11.377 -4.417 6.043 1.00 0.00 C ATOM 634 C GLU A 39 -12.575 -4.907 5.239 1.00 0.00 C ATOM 635 O GLU A 39 -13.324 -5.790 5.671 1.00 0.00 O ATOM 636 CB GLU A 39 -10.926 -5.463 7.060 1.00 0.00 C ATOM 637 CG GLU A 39 -10.337 -6.716 6.435 1.00 0.00 C ATOM 638 CD GLU A 39 -9.758 -7.661 7.460 1.00 0.00 C ATOM 639 OE1 GLU A 39 -8.640 -7.403 7.946 1.00 0.00 O ATOM 640 OE2 GLU A 39 -10.411 -8.678 7.776 1.00 0.00 O ATOM 0 H GLU A 39 -12.070 -3.296 7.660 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.559 -4.244 5.343 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.184 -5.016 7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.778 -5.744 7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.111 -7.232 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.558 -6.432 5.727 1.00 0.00 H new ATOM 647 N ASP A 40 -12.753 -4.312 4.070 1.00 0.00 N ATOM 648 CA ASP A 40 -13.836 -4.673 3.164 1.00 0.00 C ATOM 649 C ASP A 40 -13.454 -4.301 1.735 1.00 0.00 C ATOM 650 O ASP A 40 -12.543 -3.488 1.540 1.00 0.00 O ATOM 651 CB ASP A 40 -15.152 -3.985 3.568 1.00 0.00 C ATOM 652 CG ASP A 40 -15.262 -2.555 3.075 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.732 -2.350 1.934 1.00 0.00 O ATOM 654 OD2 ASP A 40 -14.911 -1.630 3.837 1.00 0.00 O ATOM 0 H ASP A 40 -12.152 -3.565 3.721 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.995 -5.750 3.224 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.990 -4.562 3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.239 -3.994 4.654 1.00 0.00 H new ATOM 659 N ASP A 41 -14.119 -4.891 0.748 1.00 0.00 N ATOM 660 CA ASP A 41 -13.721 -4.739 -0.660 1.00 0.00 C ATOM 661 C ASP A 41 -13.536 -3.278 -1.080 1.00 0.00 C ATOM 662 O ASP A 41 -12.628 -2.969 -1.859 1.00 0.00 O ATOM 663 CB ASP A 41 -14.723 -5.421 -1.597 1.00 0.00 C ATOM 664 CG ASP A 41 -14.705 -6.929 -1.457 1.00 0.00 C ATOM 665 OD1 ASP A 41 -13.853 -7.580 -2.096 1.00 0.00 O ATOM 666 OD2 ASP A 41 -15.537 -7.473 -0.701 1.00 0.00 O ATOM 0 H ASP A 41 -14.939 -5.481 0.890 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.751 -5.228 -0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.726 -5.050 -1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.495 -5.151 -2.628 1.00 0.00 H new ATOM 671 N THR A 42 -14.372 -2.382 -0.556 1.00 0.00 N ATOM 672 CA THR A 42 -14.313 -0.968 -0.920 1.00 0.00 C ATOM 673 C THR A 42 -12.920 -0.385 -0.667 1.00 0.00 C ATOM 674 O THR A 42 -12.255 0.086 -1.597 1.00 0.00 O ATOM 675 CB THR A 42 -15.353 -0.159 -0.128 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.647 -0.755 -0.273 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.399 1.281 -0.606 1.00 0.00 C ATOM 0 H THR A 42 -15.098 -2.611 0.122 1.00 0.00 H new ATOM 0 HA THR A 42 -14.534 -0.899 -1.985 1.00 0.00 H new ATOM 0 HB THR A 42 -15.063 -0.166 0.923 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.764 -1.451 0.407 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.142 1.832 -0.030 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.420 1.741 -0.470 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.667 1.305 -1.662 1.00 0.00 H new ATOM 685 N THR A 43 -12.480 -0.435 0.585 1.00 0.00 N ATOM 686 CA THR A 43 -11.157 0.045 0.962 1.00 0.00 C ATOM 687 C THR A 43 -10.062 -0.689 0.187 1.00 0.00 C ATOM 688 O THR A 43 -9.032 -0.110 -0.156 1.00 0.00 O ATOM 689 CB THR A 43 -10.910 -0.155 2.466 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.963 0.462 3.218 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.571 0.437 2.884 1.00 0.00 C ATOM 0 H THR A 43 -13.026 -0.807 1.362 1.00 0.00 H new ATOM 0 HA THR A 43 -11.122 1.108 0.721 1.00 0.00 H new ATOM 0 HB THR A 43 -10.892 -1.226 2.668 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.485 1.048 2.631 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.422 0.281 3.953 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.769 -0.051 2.331 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.562 1.505 2.668 1.00 0.00 H new ATOM 699 N MET A 44 -10.304 -1.960 -0.101 1.00 0.00 N ATOM 700 CA MET A 44 -9.303 -2.803 -0.739 1.00 0.00 C ATOM 701 C MET A 44 -9.010 -2.345 -2.164 1.00 0.00 C ATOM 702 O MET A 44 -7.850 -2.212 -2.554 1.00 0.00 O ATOM 703 CB MET A 44 -9.753 -4.262 -0.731 1.00 0.00 C ATOM 704 CG MET A 44 -9.981 -4.809 0.666 1.00 0.00 C ATOM 705 SD MET A 44 -10.516 -6.527 0.670 1.00 0.00 S ATOM 706 CE MET A 44 -10.682 -6.800 2.430 1.00 0.00 C ATOM 0 H MET A 44 -11.187 -2.431 0.098 1.00 0.00 H new ATOM 0 HA MET A 44 -8.380 -2.714 -0.166 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.675 -4.354 -1.305 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.001 -4.870 -1.234 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.059 -4.720 1.240 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.731 -4.200 1.171 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.343 -7.807 2.676 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.077 -6.072 2.970 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.727 -6.688 2.719 1.00 0.00 H new ATOM 716 N CYS A 45 -10.055 -2.097 -2.941 1.00 0.00 N ATOM 717 CA CYS A 45 -9.877 -1.610 -4.305 1.00 0.00 C ATOM 718 C CYS A 45 -9.316 -0.197 -4.289 1.00 0.00 C ATOM 719 O CYS A 45 -8.576 0.197 -5.190 1.00 0.00 O ATOM 720 CB CYS A 45 -11.188 -1.654 -5.097 1.00 0.00 C ATOM 721 SG CYS A 45 -11.812 -3.341 -5.400 1.00 0.00 S ATOM 0 H CYS A 45 -11.026 -2.223 -2.656 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.168 -2.271 -4.804 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -11.947 -1.088 -4.557 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.040 -1.155 -6.054 1.00 0.00 H new ATOM 726 N TYR A 46 -9.660 0.555 -3.248 1.00 0.00 N ATOM 727 CA TYR A 46 -9.128 1.890 -3.057 1.00 0.00 C ATOM 728 C TYR A 46 -7.612 1.841 -2.927 1.00 0.00 C ATOM 729 O TYR A 46 -6.895 2.560 -3.622 1.00 0.00 O ATOM 730 CB TYR A 46 -9.763 2.519 -1.818 1.00 0.00 C ATOM 731 CG TYR A 46 -9.025 3.729 -1.296 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.304 3.661 -0.110 1.00 0.00 C ATOM 733 CD2 TYR A 46 -9.054 4.938 -1.980 1.00 0.00 C ATOM 734 CE1 TYR A 46 -7.636 4.764 0.381 1.00 0.00 C ATOM 735 CE2 TYR A 46 -8.385 6.043 -1.497 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.681 5.951 -0.314 1.00 0.00 C ATOM 737 OH TYR A 46 -7.027 7.053 0.172 1.00 0.00 O ATOM 0 H TYR A 46 -10.310 0.255 -2.522 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.370 2.504 -3.924 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.788 2.805 -2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.815 1.769 -1.029 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.266 2.730 0.436 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.609 5.014 -2.904 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.081 4.696 1.305 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.412 6.975 -2.042 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.549 6.814 0.993 1.00 0.00 H new ATOM 747 N ILE A 47 -7.135 0.969 -2.045 1.00 0.00 N ATOM 748 CA ILE A 47 -5.708 0.779 -1.840 1.00 0.00 C ATOM 749 C ILE A 47 -5.030 0.343 -3.133 1.00 0.00 C ATOM 750 O ILE A 47 -3.939 0.811 -3.456 1.00 0.00 O ATOM 751 CB ILE A 47 -5.430 -0.260 -0.730 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.864 0.290 0.638 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.958 -0.665 -0.711 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.177 1.585 1.032 1.00 0.00 C ATOM 0 H ILE A 47 -7.724 0.379 -1.457 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.295 1.738 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.016 -1.153 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.942 0.452 0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.662 -0.462 1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.792 -1.397 0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.689 -1.102 -1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.341 0.214 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.538 1.906 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.100 1.426 1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.399 2.354 0.292 1.00 0.00 H new ATOM 766 N LYS A 48 -5.693 -0.532 -3.879 1.00 0.00 N ATOM 767 CA LYS A 48 -5.147 -1.035 -5.128 1.00 0.00 C ATOM 768 C LYS A 48 -4.914 0.116 -6.101 1.00 0.00 C ATOM 769 O LYS A 48 -3.820 0.274 -6.646 1.00 0.00 O ATOM 770 CB LYS A 48 -6.101 -2.053 -5.755 1.00 0.00 C ATOM 771 CG LYS A 48 -5.451 -2.882 -6.849 1.00 0.00 C ATOM 772 CD LYS A 48 -6.445 -3.324 -7.910 1.00 0.00 C ATOM 773 CE LYS A 48 -6.924 -2.151 -8.753 1.00 0.00 C ATOM 774 NZ LYS A 48 -7.646 -2.607 -9.969 1.00 0.00 N ATOM 0 H LYS A 48 -6.611 -0.907 -3.638 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.196 -1.524 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.476 -2.718 -4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.963 -1.528 -6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.657 -2.301 -7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.983 -3.761 -6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.982 -4.071 -8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.300 -3.802 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.580 -1.518 -8.156 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.070 -1.540 -9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.957 -1.781 -10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.012 -3.191 -10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.475 -3.169 -9.690 1.00 0.00 H new ATOM 788 N CYS A 49 -5.957 0.919 -6.303 1.00 0.00 N ATOM 789 CA CYS A 49 -5.887 2.069 -7.199 1.00 0.00 C ATOM 790 C CYS A 49 -4.789 3.043 -6.779 1.00 0.00 C ATOM 791 O CYS A 49 -3.974 3.449 -7.600 1.00 0.00 O ATOM 792 CB CYS A 49 -7.244 2.780 -7.255 1.00 0.00 C ATOM 793 SG CYS A 49 -7.222 4.380 -8.136 1.00 0.00 S ATOM 0 H CYS A 49 -6.865 0.792 -5.855 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.637 1.702 -8.195 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -7.965 2.122 -7.740 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.597 2.945 -6.237 1.00 0.00 H new ATOM 798 N VAL A 50 -4.758 3.395 -5.493 1.00 0.00 N ATOM 799 CA VAL A 50 -3.800 4.362 -4.978 1.00 0.00 C ATOM 800 C VAL A 50 -2.367 3.867 -5.145 1.00 0.00 C ATOM 801 O VAL A 50 -1.476 4.614 -5.557 1.00 0.00 O ATOM 802 CB VAL A 50 -4.075 4.667 -3.494 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.961 5.498 -2.884 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.402 5.381 -3.347 1.00 0.00 C ATOM 0 H VAL A 50 -5.392 3.019 -4.788 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.919 5.278 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.117 3.719 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.186 5.695 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.020 4.954 -2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.876 6.443 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.587 5.592 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.376 6.317 -3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.200 4.749 -3.736 1.00 0.00 H new ATOM 814 N PHE A 51 -2.160 2.597 -4.841 1.00 0.00 N ATOM 815 CA PHE A 51 -0.848 1.983 -4.963 1.00 0.00 C ATOM 816 C PHE A 51 -0.415 1.933 -6.421 1.00 0.00 C ATOM 817 O PHE A 51 0.770 1.959 -6.731 1.00 0.00 O ATOM 818 CB PHE A 51 -0.873 0.581 -4.351 1.00 0.00 C ATOM 819 CG PHE A 51 -0.564 0.551 -2.880 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.908 1.616 -2.058 1.00 0.00 C ATOM 821 CD2 PHE A 51 0.059 -0.550 -2.317 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.635 1.579 -0.705 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.335 -0.589 -0.964 1.00 0.00 C ATOM 824 CZ PHE A 51 -0.012 0.476 -0.159 1.00 0.00 C ATOM 0 H PHE A 51 -2.889 1.967 -4.506 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.121 2.587 -4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.857 0.142 -4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.153 -0.047 -4.876 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.394 2.482 -2.481 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.332 -1.387 -2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.909 2.412 -0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.822 -1.453 -0.537 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.204 0.446 0.899 1.00 0.00 H new ATOM 834 N ASN A 52 -1.386 1.878 -7.314 1.00 0.00 N ATOM 835 CA ASN A 52 -1.111 1.896 -8.743 1.00 0.00 C ATOM 836 C ASN A 52 -0.827 3.321 -9.203 1.00 0.00 C ATOM 837 O ASN A 52 0.015 3.557 -10.069 1.00 0.00 O ATOM 838 CB ASN A 52 -2.290 1.312 -9.520 1.00 0.00 C ATOM 839 CG ASN A 52 -2.083 1.385 -11.019 1.00 0.00 C ATOM 840 OD1 ASN A 52 -2.557 2.311 -11.678 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.350 0.428 -11.561 1.00 0.00 N ATOM 0 H ASN A 52 -2.376 1.820 -7.076 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.232 1.282 -8.938 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.437 0.273 -9.226 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.200 1.850 -9.254 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.158 0.438 -12.563 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.977 -0.321 -10.978 1.00 0.00 H new ATOM 848 N LYS A 53 -1.523 4.264 -8.582 1.00 0.00 N ATOM 849 CA LYS A 53 -1.364 5.684 -8.869 1.00 0.00 C ATOM 850 C LYS A 53 0.056 6.140 -8.560 1.00 0.00 C ATOM 851 O LYS A 53 0.630 6.958 -9.274 1.00 0.00 O ATOM 852 CB LYS A 53 -2.349 6.494 -8.023 1.00 0.00 C ATOM 853 CG LYS A 53 -3.791 6.469 -8.519 1.00 0.00 C ATOM 854 CD LYS A 53 -3.981 7.254 -9.807 1.00 0.00 C ATOM 855 CE LYS A 53 -5.431 7.208 -10.261 1.00 0.00 C ATOM 856 NZ LYS A 53 -5.676 8.107 -11.417 1.00 0.00 N ATOM 0 H LYS A 53 -2.217 4.065 -7.862 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.564 5.846 -9.928 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.325 6.116 -7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.010 7.529 -7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.098 5.436 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.443 6.879 -7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.676 8.289 -9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.339 6.843 -10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.694 6.186 -10.533 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.080 7.495 -9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.603 7.890 -11.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.664 9.096 -11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.933 7.966 -12.130 1.00 0.00 H new ATOM 870 N MET A 54 0.617 5.591 -7.491 1.00 0.00 N ATOM 871 CA MET A 54 1.958 5.957 -7.054 1.00 0.00 C ATOM 872 C MET A 54 3.020 5.142 -7.786 1.00 0.00 C ATOM 873 O MET A 54 4.217 5.298 -7.539 1.00 0.00 O ATOM 874 CB MET A 54 2.099 5.755 -5.546 1.00 0.00 C ATOM 875 CG MET A 54 1.305 6.756 -4.725 1.00 0.00 C ATOM 876 SD MET A 54 1.361 6.415 -2.955 1.00 0.00 S ATOM 877 CE MET A 54 3.073 6.786 -2.588 1.00 0.00 C ATOM 0 H MET A 54 0.162 4.888 -6.908 1.00 0.00 H new ATOM 0 HA MET A 54 2.109 7.010 -7.292 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.773 4.747 -5.290 1.00 0.00 H new ATOM 0 HB3 MET A 54 3.152 5.828 -5.274 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.693 7.758 -4.909 1.00 0.00 H new ATOM 0 HG3 MET A 54 0.267 6.750 -5.058 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.579 5.879 -2.257 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.562 7.169 -3.484 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.122 7.537 -1.799 1.00 0.00 H new ATOM 887 N GLN A 55 2.556 4.288 -8.701 1.00 0.00 N ATOM 888 CA GLN A 55 3.417 3.365 -9.431 1.00 0.00 C ATOM 889 C GLN A 55 4.115 2.413 -8.469 1.00 0.00 C ATOM 890 O GLN A 55 5.334 2.291 -8.467 1.00 0.00 O ATOM 891 CB GLN A 55 4.425 4.133 -10.285 1.00 0.00 C ATOM 892 CG GLN A 55 3.800 4.728 -11.527 1.00 0.00 C ATOM 893 CD GLN A 55 4.723 5.683 -12.259 1.00 0.00 C ATOM 894 OE1 GLN A 55 5.946 5.537 -12.231 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.140 6.672 -12.917 1.00 0.00 N ATOM 0 H GLN A 55 1.570 4.220 -8.954 1.00 0.00 H new ATOM 0 HA GLN A 55 2.800 2.768 -10.102 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.869 4.930 -9.688 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.235 3.464 -10.575 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.511 3.923 -12.202 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.887 5.255 -11.250 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.124 6.757 -12.915 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.707 7.350 -13.427 1.00 0.00 H new ATOM 904 N LEU A 56 3.323 1.742 -7.648 1.00 0.00 N ATOM 905 CA LEU A 56 3.856 0.904 -6.586 1.00 0.00 C ATOM 906 C LEU A 56 3.279 -0.510 -6.643 1.00 0.00 C ATOM 907 O LEU A 56 3.847 -1.451 -6.084 1.00 0.00 O ATOM 908 CB LEU A 56 3.555 1.567 -5.235 1.00 0.00 C ATOM 909 CG LEU A 56 4.685 2.433 -4.680 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.237 3.149 -3.415 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.912 1.591 -4.400 1.00 0.00 C ATOM 0 H LEU A 56 2.304 1.762 -7.697 1.00 0.00 H new ATOM 0 HA LEU A 56 4.934 0.809 -6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.662 2.183 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.322 0.789 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 56 4.942 3.181 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.055 3.761 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.382 3.786 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.953 2.414 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.706 2.225 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.666 0.821 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.249 1.120 -5.324 1.00 0.00 H new ATOM 923 N PHE A 57 2.150 -0.657 -7.327 1.00 0.00 N ATOM 924 CA PHE A 57 1.497 -1.950 -7.463 1.00 0.00 C ATOM 925 C PHE A 57 0.917 -2.087 -8.864 1.00 0.00 C ATOM 926 O PHE A 57 0.352 -1.137 -9.411 1.00 0.00 O ATOM 927 CB PHE A 57 0.391 -2.117 -6.404 1.00 0.00 C ATOM 928 CG PHE A 57 -0.428 -3.373 -6.550 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.623 -3.360 -7.255 1.00 0.00 C ATOM 930 CD2 PHE A 57 -0.006 -4.565 -5.981 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.378 -4.508 -7.390 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.759 -5.716 -6.114 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.946 -5.687 -6.819 1.00 0.00 C ATOM 0 H PHE A 57 1.667 0.109 -7.797 1.00 0.00 H new ATOM 0 HA PHE A 57 2.236 -2.735 -7.305 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.848 -2.109 -5.415 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.275 -1.256 -6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.967 -2.440 -7.704 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.921 -4.594 -5.428 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.306 -4.483 -7.942 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.419 -6.638 -5.667 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.535 -6.586 -6.923 1.00 0.00 H new ATOM 943 N ASP A 58 1.071 -3.265 -9.438 1.00 0.00 N ATOM 944 CA ASP A 58 0.549 -3.548 -10.767 1.00 0.00 C ATOM 945 C ASP A 58 -0.448 -4.695 -10.686 1.00 0.00 C ATOM 946 O ASP A 58 -0.212 -5.681 -9.989 1.00 0.00 O ATOM 947 CB ASP A 58 1.699 -3.899 -11.720 1.00 0.00 C ATOM 948 CG ASP A 58 1.217 -4.262 -13.110 1.00 0.00 C ATOM 949 OD1 ASP A 58 0.869 -3.346 -13.885 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.192 -5.463 -13.442 1.00 0.00 O ATOM 0 H ASP A 58 1.557 -4.049 -9.003 1.00 0.00 H new ATOM 0 HA ASP A 58 0.041 -2.665 -11.154 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.382 -3.052 -11.786 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.266 -4.733 -11.307 1.00 0.00 H new ATOM 955 N ASP A 59 -1.568 -4.551 -11.396 1.00 0.00 N ATOM 956 CA ASP A 59 -2.659 -5.535 -11.352 1.00 0.00 C ATOM 957 C ASP A 59 -2.195 -6.908 -11.817 1.00 0.00 C ATOM 958 O ASP A 59 -2.834 -7.920 -11.528 1.00 0.00 O ATOM 959 CB ASP A 59 -3.834 -5.086 -12.227 1.00 0.00 C ATOM 960 CG ASP A 59 -4.577 -3.884 -11.677 1.00 0.00 C ATOM 961 OD1 ASP A 59 -5.697 -4.063 -11.147 1.00 0.00 O ATOM 962 OD2 ASP A 59 -4.057 -2.752 -11.788 1.00 0.00 O ATOM 0 H ASP A 59 -1.747 -3.759 -12.013 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.980 -5.604 -10.313 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.463 -4.848 -13.224 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.533 -5.916 -12.336 1.00 0.00 H new ATOM 967 N THR A 60 -1.101 -6.937 -12.561 1.00 0.00 N ATOM 968 CA THR A 60 -0.545 -8.180 -13.057 1.00 0.00 C ATOM 969 C THR A 60 0.629 -8.665 -12.196 1.00 0.00 C ATOM 970 O THR A 60 0.539 -9.702 -11.541 1.00 0.00 O ATOM 971 CB THR A 60 -0.084 -8.013 -14.514 1.00 0.00 C ATOM 972 OG1 THR A 60 -1.214 -7.735 -15.354 1.00 0.00 O ATOM 973 CG2 THR A 60 0.643 -9.251 -15.010 1.00 0.00 C ATOM 0 H THR A 60 -0.579 -6.105 -12.835 1.00 0.00 H new ATOM 0 HA THR A 60 -1.333 -8.932 -13.006 1.00 0.00 H new ATOM 0 HB THR A 60 0.614 -7.176 -14.555 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.914 -7.628 -16.281 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.956 -9.100 -16.043 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.520 -9.431 -14.388 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.024 -10.111 -14.955 1.00 0.00 H new ATOM 981 N GLU A 61 1.722 -7.906 -12.197 1.00 0.00 N ATOM 982 CA GLU A 61 2.962 -8.320 -11.542 1.00 0.00 C ATOM 983 C GLU A 61 2.904 -8.176 -10.018 1.00 0.00 C ATOM 984 O GLU A 61 3.820 -8.613 -9.318 1.00 0.00 O ATOM 985 CB GLU A 61 4.131 -7.507 -12.086 1.00 0.00 C ATOM 986 CG GLU A 61 4.075 -7.319 -13.588 1.00 0.00 C ATOM 987 CD GLU A 61 5.272 -6.574 -14.130 1.00 0.00 C ATOM 988 OE1 GLU A 61 5.147 -5.365 -14.415 1.00 0.00 O ATOM 989 OE2 GLU A 61 6.345 -7.193 -14.271 1.00 0.00 O ATOM 0 H GLU A 61 1.774 -6.993 -12.648 1.00 0.00 H new ATOM 0 HA GLU A 61 3.100 -9.378 -11.763 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.142 -6.530 -11.604 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.065 -8.003 -11.822 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.012 -8.295 -14.070 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.166 -6.776 -13.848 1.00 0.00 H new ATOM 996 N GLY A 62 1.847 -7.564 -9.505 1.00 0.00 N ATOM 997 CA GLY A 62 1.703 -7.424 -8.067 1.00 0.00 C ATOM 998 C GLY A 62 2.527 -6.284 -7.499 1.00 0.00 C ATOM 999 O GLY A 62 2.798 -5.305 -8.194 1.00 0.00 O ATOM 0 H GLY A 62 1.088 -7.162 -10.055 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.652 -7.261 -7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.000 -8.355 -7.585 1.00 0.00 H new ATOM 1003 N PRO A 63 2.925 -6.385 -6.218 1.00 0.00 N ATOM 1004 CA PRO A 63 3.757 -5.374 -5.556 1.00 0.00 C ATOM 1005 C PRO A 63 5.089 -5.178 -6.273 1.00 0.00 C ATOM 1006 O PRO A 63 5.866 -6.121 -6.430 1.00 0.00 O ATOM 1007 CB PRO A 63 3.987 -5.946 -4.148 1.00 0.00 C ATOM 1008 CG PRO A 63 2.901 -6.947 -3.948 1.00 0.00 C ATOM 1009 CD PRO A 63 2.589 -7.499 -5.316 1.00 0.00 C ATOM 0 HA PRO A 63 3.278 -4.395 -5.551 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.970 -6.411 -4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.943 -5.161 -3.393 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.220 -7.739 -3.271 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.020 -6.484 -3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.182 -8.387 -5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.541 -7.786 -5.404 1.00 0.00 H new ATOM 1017 N LEU A 64 5.347 -3.955 -6.711 1.00 0.00 N ATOM 1018 CA LEU A 64 6.579 -3.645 -7.426 1.00 0.00 C ATOM 1019 C LEU A 64 7.704 -3.393 -6.436 1.00 0.00 C ATOM 1020 O LEU A 64 7.909 -2.267 -5.987 1.00 0.00 O ATOM 1021 CB LEU A 64 6.388 -2.428 -8.337 1.00 0.00 C ATOM 1022 CG LEU A 64 5.185 -2.520 -9.279 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.010 -1.228 -10.062 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.346 -3.699 -10.224 1.00 0.00 C ATOM 0 H LEU A 64 4.721 -3.160 -6.585 1.00 0.00 H new ATOM 0 HA LEU A 64 6.841 -4.499 -8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.279 -1.539 -7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.290 -2.292 -8.933 1.00 0.00 H new ATOM 0 HG LEU A 64 4.289 -2.674 -8.678 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.149 -1.318 -10.724 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.850 -0.402 -9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.905 -1.037 -10.654 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.484 -3.753 -10.889 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.252 -3.570 -10.815 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.418 -4.621 -9.647 1.00 0.00 H new ATOM 1036 N VAL A 65 8.416 -4.467 -6.108 1.00 0.00 N ATOM 1037 CA VAL A 65 9.475 -4.458 -5.100 1.00 0.00 C ATOM 1038 C VAL A 65 10.457 -3.304 -5.290 1.00 0.00 C ATOM 1039 O VAL A 65 10.821 -2.634 -4.327 1.00 0.00 O ATOM 1040 CB VAL A 65 10.253 -5.788 -5.114 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.448 -5.737 -4.171 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.335 -6.939 -4.749 1.00 0.00 C ATOM 0 H VAL A 65 8.273 -5.380 -6.539 1.00 0.00 H new ATOM 0 HA VAL A 65 8.980 -4.325 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 65 10.631 -5.948 -6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.977 -6.689 -4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.121 -4.937 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.102 -5.548 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.898 -7.872 -4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.927 -6.776 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.519 -6.997 -5.470 1.00 0.00 H new ATOM 1052 N ASP A 66 10.874 -3.072 -6.530 1.00 0.00 N ATOM 1053 CA ASP A 66 11.858 -2.032 -6.827 1.00 0.00 C ATOM 1054 C ASP A 66 11.377 -0.662 -6.364 1.00 0.00 C ATOM 1055 O ASP A 66 12.063 0.020 -5.599 1.00 0.00 O ATOM 1056 CB ASP A 66 12.160 -2.000 -8.322 1.00 0.00 C ATOM 1057 CG ASP A 66 13.155 -0.912 -8.692 1.00 0.00 C ATOM 1058 OD1 ASP A 66 12.724 0.180 -9.118 1.00 0.00 O ATOM 1059 OD2 ASP A 66 14.375 -1.147 -8.567 1.00 0.00 O ATOM 0 H ASP A 66 10.547 -3.589 -7.347 1.00 0.00 H new ATOM 0 HA ASP A 66 12.770 -2.273 -6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.554 -2.968 -8.631 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.233 -1.843 -8.873 1.00 0.00 H new ATOM 1064 N ASN A 67 10.193 -0.269 -6.818 1.00 0.00 N ATOM 1065 CA ASN A 67 9.621 1.020 -6.449 1.00 0.00 C ATOM 1066 C ASN A 67 9.282 1.042 -4.965 1.00 0.00 C ATOM 1067 O ASN A 67 9.377 2.077 -4.309 1.00 0.00 O ATOM 1068 CB ASN A 67 8.366 1.321 -7.269 1.00 0.00 C ATOM 1069 CG ASN A 67 8.648 1.545 -8.744 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.522 0.911 -9.336 1.00 0.00 O ATOM 1071 ND2 ASN A 67 7.910 2.458 -9.346 1.00 0.00 N ATOM 0 H ASN A 67 9.610 -0.825 -7.443 1.00 0.00 H new ATOM 0 HA ASN A 67 10.364 1.788 -6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.664 0.494 -7.163 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.879 2.207 -6.861 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.054 2.659 -10.336 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.195 2.963 -8.822 1.00 0.00 H new ATOM 1078 N LEU A 68 8.894 -0.115 -4.446 1.00 0.00 N ATOM 1079 CA LEU A 68 8.539 -0.258 -3.041 1.00 0.00 C ATOM 1080 C LEU A 68 9.706 0.102 -2.136 1.00 0.00 C ATOM 1081 O LEU A 68 9.564 0.912 -1.226 1.00 0.00 O ATOM 1082 CB LEU A 68 8.057 -1.679 -2.759 1.00 0.00 C ATOM 1083 CG LEU A 68 6.583 -1.917 -3.080 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.283 -3.402 -3.138 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.703 -1.246 -2.041 1.00 0.00 C ATOM 0 H LEU A 68 8.817 -0.978 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 68 7.727 0.437 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.661 -2.377 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.229 -1.907 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 68 6.369 -1.482 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.228 -3.551 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.893 -3.866 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.512 -3.857 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.655 -1.424 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.924 -1.658 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.898 -0.174 -2.037 1.00 0.00 H new ATOM 1097 N VAL A 69 10.861 -0.486 -2.400 1.00 0.00 N ATOM 1098 CA VAL A 69 12.059 -0.192 -1.636 1.00 0.00 C ATOM 1099 C VAL A 69 12.524 1.231 -1.909 1.00 0.00 C ATOM 1100 O VAL A 69 12.940 1.942 -1.001 1.00 0.00 O ATOM 1101 CB VAL A 69 13.182 -1.180 -1.977 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.432 -0.869 -1.176 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.726 -2.604 -1.719 1.00 0.00 C ATOM 0 H VAL A 69 10.993 -1.173 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 69 11.817 -0.293 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 69 13.422 -1.077 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.216 -1.582 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.770 0.141 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.210 -0.943 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.533 -3.295 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.460 -2.716 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.857 -2.826 -2.338 1.00 0.00 H new ATOM 1113 N HIS A 70 12.413 1.650 -3.160 1.00 0.00 N ATOM 1114 CA HIS A 70 12.845 2.978 -3.567 1.00 0.00 C ATOM 1115 C HIS A 70 12.068 4.068 -2.822 1.00 0.00 C ATOM 1116 O HIS A 70 12.597 5.143 -2.549 1.00 0.00 O ATOM 1117 CB HIS A 70 12.667 3.135 -5.078 1.00 0.00 C ATOM 1118 CG HIS A 70 13.253 4.393 -5.634 1.00 0.00 C ATOM 1119 ND1 HIS A 70 12.511 5.336 -6.309 1.00 0.00 N ATOM 1120 CD2 HIS A 70 14.526 4.852 -5.625 1.00 0.00 C ATOM 1121 CE1 HIS A 70 13.304 6.320 -6.694 1.00 0.00 C ATOM 1122 NE2 HIS A 70 14.528 6.050 -6.289 1.00 0.00 N ATOM 0 H HIS A 70 12.025 1.085 -3.915 1.00 0.00 H new ATOM 0 HA HIS A 70 13.899 3.091 -3.313 1.00 0.00 H new ATOM 0 HB2 HIS A 70 13.125 2.282 -5.578 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.603 3.108 -5.312 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.380 4.365 -5.178 1.00 0.00 H new ATOM 0 HE1 HIS A 70 13.000 7.197 -7.247 1.00 0.00 H new ATOM 0 HE2 HIS A 70 15.346 6.639 -6.445 1.00 0.00 H new ATOM 1131 N GLN A 71 10.813 3.785 -2.500 1.00 0.00 N ATOM 1132 CA GLN A 71 9.979 4.740 -1.787 1.00 0.00 C ATOM 1133 C GLN A 71 10.094 4.546 -0.277 1.00 0.00 C ATOM 1134 O GLN A 71 10.459 5.472 0.448 1.00 0.00 O ATOM 1135 CB GLN A 71 8.515 4.602 -2.207 1.00 0.00 C ATOM 1136 CG GLN A 71 7.684 5.832 -1.864 1.00 0.00 C ATOM 1137 CD GLN A 71 8.149 7.076 -2.602 1.00 0.00 C ATOM 1138 OE1 GLN A 71 8.624 7.002 -3.737 1.00 0.00 O ATOM 1139 NE2 GLN A 71 8.045 8.227 -1.952 1.00 0.00 N ATOM 0 H GLN A 71 10.352 2.903 -2.721 1.00 0.00 H new ATOM 0 HA GLN A 71 10.332 5.739 -2.043 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.465 4.423 -3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.082 3.729 -1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.639 5.639 -2.107 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.734 6.011 -0.790 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.646 8.248 -1.013 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.364 9.091 -2.391 1.00 0.00 H new ATOM 1148 N LEU A 72 9.779 3.336 0.181 1.00 0.00 N ATOM 1149 CA LEU A 72 9.727 3.027 1.611 1.00 0.00 C ATOM 1150 C LEU A 72 11.064 3.255 2.310 1.00 0.00 C ATOM 1151 O LEU A 72 11.106 3.809 3.406 1.00 0.00 O ATOM 1152 CB LEU A 72 9.261 1.589 1.842 1.00 0.00 C ATOM 1153 CG LEU A 72 7.796 1.309 1.499 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.502 -0.178 1.606 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.865 2.089 2.415 1.00 0.00 C ATOM 0 H LEU A 72 9.554 2.546 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 72 9.005 3.717 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.889 0.923 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.426 1.336 2.889 1.00 0.00 H new ATOM 0 HG LEU A 72 7.622 1.633 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.456 -0.361 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.140 -0.726 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.699 -0.516 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.830 1.873 2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.044 1.797 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.053 3.157 2.301 1.00 0.00 H new ATOM 1167 N ALA A 73 12.157 2.842 1.673 1.00 0.00 N ATOM 1168 CA ALA A 73 13.495 2.998 2.241 1.00 0.00 C ATOM 1169 C ALA A 73 13.977 4.447 2.175 1.00 0.00 C ATOM 1170 O ALA A 73 15.164 4.716 1.969 1.00 0.00 O ATOM 1171 CB ALA A 73 14.467 2.072 1.538 1.00 0.00 C ATOM 0 H ALA A 73 12.142 2.394 0.757 1.00 0.00 H new ATOM 0 HA ALA A 73 13.446 2.727 3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.461 2.195 1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.142 1.039 1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.498 2.315 0.476 1.00 0.00 H new ATOM 1177 N HIS A 74 13.040 5.368 2.331 1.00 0.00 N ATOM 1178 CA HIS A 74 13.318 6.798 2.311 1.00 0.00 C ATOM 1179 C HIS A 74 14.174 7.187 3.517 1.00 0.00 C ATOM 1180 O HIS A 74 13.654 7.578 4.562 1.00 0.00 O ATOM 1181 CB HIS A 74 11.993 7.576 2.313 1.00 0.00 C ATOM 1182 CG HIS A 74 12.128 9.059 2.129 1.00 0.00 C ATOM 1183 ND1 HIS A 74 12.298 9.649 0.897 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.072 10.077 3.024 1.00 0.00 C ATOM 1185 CE1 HIS A 74 12.335 10.959 1.039 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.199 11.247 2.320 1.00 0.00 N ATOM 0 H HIS A 74 12.056 5.144 2.476 1.00 0.00 H new ATOM 0 HA HIS A 74 13.873 7.047 1.407 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.357 7.183 1.520 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.480 7.387 3.256 1.00 0.00 H new ATOM 0 HD1 HIS A 74 12.382 9.150 0.011 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.950 9.983 4.093 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.456 11.676 0.241 1.00 0.00 H new ATOM 1195 N GLY A 75 15.487 7.051 3.369 1.00 0.00 N ATOM 1196 CA GLY A 75 16.403 7.391 4.438 1.00 0.00 C ATOM 1197 C GLY A 75 16.637 6.238 5.397 1.00 0.00 C ATOM 1198 O GLY A 75 16.914 6.456 6.578 1.00 0.00 O ATOM 0 H GLY A 75 15.935 6.708 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.356 7.701 4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.009 8.244 4.991 1.00 0.00 H new ATOM 1202 N ARG A 76 16.528 5.011 4.894 1.00 0.00 N ATOM 1203 CA ARG A 76 16.729 3.824 5.723 1.00 0.00 C ATOM 1204 C ARG A 76 17.292 2.666 4.907 1.00 0.00 C ATOM 1205 O ARG A 76 17.299 2.713 3.676 1.00 0.00 O ATOM 1206 CB ARG A 76 15.422 3.414 6.410 1.00 0.00 C ATOM 1207 CG ARG A 76 15.269 4.004 7.804 1.00 0.00 C ATOM 1208 CD ARG A 76 14.045 3.461 8.524 1.00 0.00 C ATOM 1209 NE ARG A 76 14.103 2.012 8.716 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.128 1.298 9.282 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.018 1.894 9.703 1.00 0.00 N ATOM 1212 NH2 ARG A 76 13.261 -0.016 9.430 1.00 0.00 N ATOM 0 H ARG A 76 16.302 4.812 3.919 1.00 0.00 H new ATOM 0 HA ARG A 76 17.459 4.077 6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.580 3.730 5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.379 2.327 6.475 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.161 3.784 8.390 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.195 5.089 7.732 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.952 3.949 9.494 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.151 3.713 7.954 1.00 0.00 H new ATOM 0 HE ARG A 76 14.937 1.519 8.399 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.908 2.902 9.594 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.276 1.343 10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.110 -0.482 9.111 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.514 -0.559 9.863 1.00 0.00 H new ATOM 1226 N ASP A 77 17.771 1.640 5.613 1.00 0.00 N ATOM 1227 CA ASP A 77 18.380 0.461 4.994 1.00 0.00 C ATOM 1228 C ASP A 77 17.441 -0.186 3.992 1.00 0.00 C ATOM 1229 O ASP A 77 16.430 -0.783 4.365 1.00 0.00 O ATOM 1230 CB ASP A 77 18.761 -0.569 6.060 1.00 0.00 C ATOM 1231 CG ASP A 77 19.786 -0.058 7.045 1.00 0.00 C ATOM 1232 OD1 ASP A 77 19.386 0.380 8.144 1.00 0.00 O ATOM 1233 OD2 ASP A 77 20.994 -0.096 6.732 1.00 0.00 O ATOM 0 H ASP A 77 17.748 1.603 6.632 1.00 0.00 H new ATOM 0 HA ASP A 77 19.275 0.796 4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.864 -0.869 6.602 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.151 -1.461 5.570 1.00 0.00 H new ATOM 1238 N ALA A 78 17.798 -0.074 2.722 1.00 0.00 N ATOM 1239 CA ALA A 78 16.983 -0.591 1.634 1.00 0.00 C ATOM 1240 C ALA A 78 16.852 -2.107 1.695 1.00 0.00 C ATOM 1241 O ALA A 78 15.798 -2.655 1.377 1.00 0.00 O ATOM 1242 CB ALA A 78 17.575 -0.171 0.304 1.00 0.00 C ATOM 0 H ALA A 78 18.660 0.378 2.417 1.00 0.00 H new ATOM 0 HA ALA A 78 15.982 -0.171 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.960 -0.561 -0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.604 0.917 0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.587 -0.566 0.215 1.00 0.00 H new ATOM 1248 N GLU A 79 17.920 -2.781 2.109 1.00 0.00 N ATOM 1249 CA GLU A 79 17.913 -4.238 2.196 1.00 0.00 C ATOM 1250 C GLU A 79 16.877 -4.718 3.207 1.00 0.00 C ATOM 1251 O GLU A 79 16.096 -5.626 2.922 1.00 0.00 O ATOM 1252 CB GLU A 79 19.299 -4.775 2.555 1.00 0.00 C ATOM 1253 CG GLU A 79 20.308 -4.642 1.426 1.00 0.00 C ATOM 1254 CD GLU A 79 21.604 -5.365 1.714 1.00 0.00 C ATOM 1255 OE1 GLU A 79 21.618 -6.616 1.671 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.623 -4.694 1.971 1.00 0.00 O ATOM 0 H GLU A 79 18.798 -2.344 2.389 1.00 0.00 H new ATOM 0 HA GLU A 79 17.641 -4.627 1.215 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.672 -4.243 3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.213 -5.825 2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.873 -5.036 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.516 -3.586 1.253 1.00 0.00 H new ATOM 1263 N GLU A 80 16.864 -4.090 4.379 1.00 0.00 N ATOM 1264 CA GLU A 80 15.869 -4.394 5.400 1.00 0.00 C ATOM 1265 C GLU A 80 14.464 -4.152 4.855 1.00 0.00 C ATOM 1266 O GLU A 80 13.566 -4.980 5.018 1.00 0.00 O ATOM 1267 CB GLU A 80 16.108 -3.531 6.639 1.00 0.00 C ATOM 1268 CG GLU A 80 15.003 -3.635 7.674 1.00 0.00 C ATOM 1269 CD GLU A 80 15.312 -2.876 8.947 1.00 0.00 C ATOM 1270 OE1 GLU A 80 15.474 -3.521 10.004 1.00 0.00 O ATOM 1271 OE2 GLU A 80 15.393 -1.629 8.904 1.00 0.00 O ATOM 0 H GLU A 80 17.532 -3.367 4.645 1.00 0.00 H new ATOM 0 HA GLU A 80 15.961 -5.444 5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.053 -3.822 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.210 -2.490 6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.075 -3.254 7.247 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.836 -4.685 7.915 1.00 0.00 H new ATOM 1278 N VAL A 81 14.298 -3.014 4.194 1.00 0.00 N ATOM 1279 CA VAL A 81 13.025 -2.638 3.603 1.00 0.00 C ATOM 1280 C VAL A 81 12.557 -3.668 2.574 1.00 0.00 C ATOM 1281 O VAL A 81 11.407 -4.104 2.606 1.00 0.00 O ATOM 1282 CB VAL A 81 13.128 -1.248 2.958 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.848 -0.874 2.237 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.455 -0.226 4.024 1.00 0.00 C ATOM 0 H VAL A 81 15.041 -2.329 4.054 1.00 0.00 H new ATOM 0 HA VAL A 81 12.284 -2.606 4.401 1.00 0.00 H new ATOM 0 HB VAL A 81 13.925 -1.268 2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.956 0.115 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.645 -1.604 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.020 -0.864 2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.529 0.762 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.667 -0.221 4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.405 -0.481 4.494 1.00 0.00 H new ATOM 1294 N ARG A 82 13.455 -4.055 1.670 1.00 0.00 N ATOM 1295 CA ARG A 82 13.168 -5.078 0.671 1.00 0.00 C ATOM 1296 C ARG A 82 12.719 -6.373 1.338 1.00 0.00 C ATOM 1297 O ARG A 82 11.746 -6.995 0.914 1.00 0.00 O ATOM 1298 CB ARG A 82 14.410 -5.336 -0.175 1.00 0.00 C ATOM 1299 CG ARG A 82 14.151 -6.255 -1.350 1.00 0.00 C ATOM 1300 CD ARG A 82 15.402 -6.451 -2.183 1.00 0.00 C ATOM 1301 NE ARG A 82 15.217 -7.440 -3.243 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.154 -7.750 -4.139 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.324 -7.119 -4.133 1.00 0.00 N ATOM 1304 NH2 ARG A 82 15.919 -8.689 -5.044 1.00 0.00 N ATOM 0 H ARG A 82 14.397 -3.669 1.611 1.00 0.00 H new ATOM 0 HA ARG A 82 12.361 -4.721 0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.795 -4.385 -0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.186 -5.771 0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.798 -7.221 -0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.359 -5.839 -1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.693 -5.498 -2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.221 -6.765 -1.536 1.00 0.00 H new ATOM 0 HE ARG A 82 14.319 -7.921 -3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.509 -6.393 -3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.037 -7.360 -4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.022 -9.174 -5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.635 -8.927 -5.730 1.00 0.00 H new ATOM 1318 N THR A 83 13.428 -6.755 2.390 1.00 0.00 N ATOM 1319 CA THR A 83 13.124 -7.969 3.128 1.00 0.00 C ATOM 1320 C THR A 83 11.714 -7.914 3.720 1.00 0.00 C ATOM 1321 O THR A 83 10.899 -8.813 3.497 1.00 0.00 O ATOM 1322 CB THR A 83 14.166 -8.178 4.246 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.410 -8.603 3.676 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.698 -9.190 5.277 1.00 0.00 C ATOM 0 H THR A 83 14.226 -6.234 2.754 1.00 0.00 H new ATOM 0 HA THR A 83 13.166 -8.811 2.437 1.00 0.00 H new ATOM 0 HB THR A 83 14.299 -7.225 4.757 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.899 -7.823 3.339 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.462 -9.306 6.046 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.773 -8.841 5.735 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.523 -10.150 4.791 1.00 0.00 H new ATOM 1332 N GLU A 84 11.436 -6.846 4.465 1.00 0.00 N ATOM 1333 CA GLU A 84 10.124 -6.643 5.073 1.00 0.00 C ATOM 1334 C GLU A 84 9.008 -6.682 4.028 1.00 0.00 C ATOM 1335 O GLU A 84 7.961 -7.286 4.257 1.00 0.00 O ATOM 1336 CB GLU A 84 10.086 -5.321 5.834 1.00 0.00 C ATOM 1337 CG GLU A 84 10.997 -5.301 7.045 1.00 0.00 C ATOM 1338 CD GLU A 84 10.569 -6.273 8.128 1.00 0.00 C ATOM 1339 OE1 GLU A 84 9.749 -5.888 8.986 1.00 0.00 O ATOM 1340 OE2 GLU A 84 11.061 -7.421 8.141 1.00 0.00 O ATOM 0 H GLU A 84 12.107 -6.104 4.663 1.00 0.00 H new ATOM 0 HA GLU A 84 9.956 -7.461 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.371 -4.513 5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.063 -5.123 6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.013 -5.540 6.732 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.020 -4.293 7.458 1.00 0.00 H new ATOM 1347 N VAL A 85 9.239 -6.034 2.887 1.00 0.00 N ATOM 1348 CA VAL A 85 8.287 -6.060 1.782 1.00 0.00 C ATOM 1349 C VAL A 85 8.008 -7.494 1.333 1.00 0.00 C ATOM 1350 O VAL A 85 6.857 -7.912 1.242 1.00 0.00 O ATOM 1351 CB VAL A 85 8.802 -5.243 0.577 1.00 0.00 C ATOM 1352 CG1 VAL A 85 7.998 -5.556 -0.674 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.753 -3.757 0.885 1.00 0.00 C ATOM 0 H VAL A 85 10.079 -5.484 2.705 1.00 0.00 H new ATOM 0 HA VAL A 85 7.363 -5.610 2.146 1.00 0.00 H new ATOM 0 HB VAL A 85 9.838 -5.525 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.380 -4.968 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.086 -6.617 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.950 -5.308 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.119 -3.195 0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.725 -3.464 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.379 -3.544 1.751 1.00 0.00 H new ATOM 1363 N LEU A 86 9.075 -8.241 1.073 1.00 0.00 N ATOM 1364 CA LEU A 86 8.966 -9.607 0.576 1.00 0.00 C ATOM 1365 C LEU A 86 8.236 -10.504 1.568 1.00 0.00 C ATOM 1366 O LEU A 86 7.550 -11.450 1.178 1.00 0.00 O ATOM 1367 CB LEU A 86 10.354 -10.168 0.292 1.00 0.00 C ATOM 1368 CG LEU A 86 11.092 -9.491 -0.851 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.549 -9.915 -0.854 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.428 -9.830 -2.172 1.00 0.00 C ATOM 0 H LEU A 86 10.034 -7.919 1.200 1.00 0.00 H new ATOM 0 HA LEU A 86 8.386 -9.584 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.957 -10.083 1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.262 -11.231 0.068 1.00 0.00 H new ATOM 0 HG LEU A 86 11.050 -8.411 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.069 -9.424 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.013 -9.630 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.613 -10.996 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.964 -9.340 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.448 -10.909 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.394 -9.484 -2.159 1.00 0.00 H new ATOM 1382 N LYS A 87 8.373 -10.183 2.848 1.00 0.00 N ATOM 1383 CA LYS A 87 7.713 -10.937 3.911 1.00 0.00 C ATOM 1384 C LYS A 87 6.220 -10.625 3.950 1.00 0.00 C ATOM 1385 O LYS A 87 5.470 -11.212 4.728 1.00 0.00 O ATOM 1386 CB LYS A 87 8.359 -10.617 5.261 1.00 0.00 C ATOM 1387 CG LYS A 87 9.752 -11.208 5.427 1.00 0.00 C ATOM 1388 CD LYS A 87 10.505 -10.580 6.594 1.00 0.00 C ATOM 1389 CE LYS A 87 9.714 -10.640 7.891 1.00 0.00 C ATOM 1390 NZ LYS A 87 10.415 -9.931 8.993 1.00 0.00 N ATOM 0 H LYS A 87 8.938 -9.401 3.179 1.00 0.00 H new ATOM 0 HA LYS A 87 7.833 -12.001 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.416 -9.535 5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.717 -10.991 6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.673 -12.284 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.320 -11.061 4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.457 -11.094 6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.734 -9.541 6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.731 -10.195 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.553 -11.681 8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.863 -10.021 9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.357 -10.350 9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.516 -8.925 8.750 1.00 0.00 H new ATOM 1404 N CYS A 88 5.801 -9.693 3.109 1.00 0.00 N ATOM 1405 CA CYS A 88 4.400 -9.316 3.009 1.00 0.00 C ATOM 1406 C CYS A 88 3.860 -9.557 1.598 1.00 0.00 C ATOM 1407 O CYS A 88 2.657 -9.454 1.356 1.00 0.00 O ATOM 1408 CB CYS A 88 4.231 -7.852 3.407 1.00 0.00 C ATOM 1409 SG CYS A 88 4.239 -7.572 5.210 1.00 0.00 S ATOM 0 H CYS A 88 6.418 -9.179 2.480 1.00 0.00 H new ATOM 0 HA CYS A 88 3.824 -9.941 3.692 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.032 -7.268 2.955 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.293 -7.479 2.995 1.00 0.00 H new ATOM 1414 N VAL A 89 4.758 -9.875 0.665 1.00 0.00 N ATOM 1415 CA VAL A 89 4.371 -10.162 -0.709 1.00 0.00 C ATOM 1416 C VAL A 89 3.734 -11.544 -0.816 1.00 0.00 C ATOM 1417 O VAL A 89 4.331 -12.549 -0.426 1.00 0.00 O ATOM 1418 CB VAL A 89 5.582 -10.080 -1.666 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.197 -10.534 -3.062 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.138 -8.667 -1.715 1.00 0.00 C ATOM 0 H VAL A 89 5.761 -9.939 0.841 1.00 0.00 H new ATOM 0 HA VAL A 89 3.643 -9.406 -1.002 1.00 0.00 H new ATOM 0 HB VAL A 89 6.355 -10.746 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.065 -10.468 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.847 -11.566 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.402 -9.895 -3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.989 -8.634 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.365 -7.984 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.459 -8.367 -0.717 1.00 0.00 H new ATOM 1430 N ASP A 90 2.513 -11.580 -1.329 1.00 0.00 N ATOM 1431 CA ASP A 90 1.808 -12.838 -1.558 1.00 0.00 C ATOM 1432 C ASP A 90 1.587 -13.074 -3.042 1.00 0.00 C ATOM 1433 O ASP A 90 1.958 -12.249 -3.881 1.00 0.00 O ATOM 1434 CB ASP A 90 0.444 -12.852 -0.861 1.00 0.00 C ATOM 1435 CG ASP A 90 0.540 -12.937 0.643 1.00 0.00 C ATOM 1436 OD1 ASP A 90 1.091 -13.932 1.158 1.00 0.00 O ATOM 1437 OD2 ASP A 90 0.032 -12.025 1.321 1.00 0.00 O ATOM 0 H ASP A 90 1.985 -10.749 -1.597 1.00 0.00 H new ATOM 0 HA ASP A 90 2.435 -13.628 -1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.104 -11.949 -1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.135 -13.699 -1.229 1.00 0.00 H new ATOM 1442 N LYS A 91 0.980 -14.208 -3.349 1.00 0.00 N ATOM 1443 CA LYS A 91 0.571 -14.535 -4.706 1.00 0.00 C ATOM 1444 C LYS A 91 -0.919 -14.273 -4.859 1.00 0.00 C ATOM 1445 O LYS A 91 -1.663 -14.299 -3.876 1.00 0.00 O ATOM 1446 CB LYS A 91 0.861 -16.004 -5.019 1.00 0.00 C ATOM 1447 CG LYS A 91 2.274 -16.438 -4.676 1.00 0.00 C ATOM 1448 CD LYS A 91 2.458 -17.940 -4.848 1.00 0.00 C ATOM 1449 CE LYS A 91 2.088 -18.405 -6.252 1.00 0.00 C ATOM 1450 NZ LYS A 91 2.934 -17.775 -7.298 1.00 0.00 N ATOM 0 H LYS A 91 0.756 -14.930 -2.664 1.00 0.00 H new ATOM 0 HA LYS A 91 1.134 -13.912 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.156 -16.628 -4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.684 -16.181 -6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.982 -15.909 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.501 -16.159 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.495 -18.204 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.843 -18.466 -4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.188 -19.489 -6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.041 -18.171 -6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.690 -18.173 -8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.769 -16.748 -7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.936 -17.962 -7.093 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.353 -14.029 -6.086 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.760 -13.750 -6.354 1.00 0.00 C ATOM 1466 C ASN A 92 -3.571 -15.038 -6.367 1.00 0.00 C ATOM 1467 O ASN A 92 -4.010 -15.509 -7.417 1.00 0.00 O ATOM 1468 CB ASN A 92 -2.932 -13.017 -7.684 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.364 -12.555 -7.914 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.127 -12.338 -6.970 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.737 -12.395 -9.173 1.00 0.00 N ATOM 0 H ASN A 92 -0.755 -14.018 -6.912 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.127 -13.108 -5.554 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.267 -12.154 -7.708 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.630 -13.675 -8.499 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.684 -12.082 -9.389 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.078 -12.584 -9.928 1.00 0.00 H new ATOM 1478 N THR A 93 -3.744 -15.616 -5.195 1.00 0.00 N ATOM 1479 CA THR A 93 -4.587 -16.785 -5.035 1.00 0.00 C ATOM 1480 C THR A 93 -6.014 -16.360 -4.721 1.00 0.00 C ATOM 1481 O THR A 93 -6.939 -17.175 -4.712 1.00 0.00 O ATOM 1482 CB THR A 93 -4.054 -17.694 -3.913 1.00 0.00 C ATOM 1483 OG1 THR A 93 -3.927 -16.951 -2.690 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.704 -18.264 -4.298 1.00 0.00 C ATOM 0 H THR A 93 -3.308 -15.292 -4.332 1.00 0.00 H new ATOM 0 HA THR A 93 -4.575 -17.346 -5.970 1.00 0.00 H new ATOM 0 HB THR A 93 -4.761 -18.511 -3.766 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.589 -17.540 -1.983 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.338 -18.905 -3.496 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.803 -18.848 -5.213 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.999 -17.449 -4.462 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.176 -15.067 -4.470 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.471 -14.494 -4.119 1.00 0.00 C ATOM 1494 C ASP A 94 -8.309 -14.251 -5.359 1.00 0.00 C ATOM 1495 O ASP A 94 -9.526 -14.086 -5.278 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.291 -13.166 -3.379 1.00 0.00 C ATOM 1497 CG ASP A 94 -6.435 -13.301 -2.143 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -6.992 -13.313 -1.024 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -5.199 -13.397 -2.282 1.00 0.00 O ATOM 0 H ASP A 94 -5.416 -14.387 -4.504 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.980 -15.208 -3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.838 -12.438 -4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.269 -12.775 -3.098 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.628 -14.213 -6.505 1.00 0.00 N ATOM 1505 CA ASN A 95 -8.258 -13.951 -7.797 1.00 0.00 C ATOM 1506 C ASN A 95 -8.904 -12.570 -7.805 1.00 0.00 C ATOM 1507 O ASN A 95 -9.823 -12.299 -8.578 1.00 0.00 O ATOM 1508 CB ASN A 95 -9.294 -15.026 -8.131 1.00 0.00 C ATOM 1509 CG ASN A 95 -8.697 -16.415 -8.177 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.525 -16.598 -8.514 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -9.497 -17.406 -7.832 1.00 0.00 N ATOM 0 H ASN A 95 -6.621 -14.364 -6.562 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.482 -13.979 -8.562 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.090 -15.001 -7.387 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.750 -14.799 -9.094 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.152 -18.366 -7.838 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.461 -17.212 -7.559 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.401 -11.702 -6.941 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.948 -10.369 -6.769 1.00 0.00 C ATOM 1520 C ASN A 96 -7.824 -9.400 -6.429 1.00 0.00 C ATOM 1521 O ASN A 96 -7.278 -9.428 -5.323 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.022 -10.388 -5.669 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.462 -9.003 -5.219 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.411 -8.033 -5.974 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -10.915 -8.903 -3.979 1.00 0.00 N ATOM 0 H ASN A 96 -7.602 -11.904 -6.340 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.418 -10.037 -7.695 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.892 -10.936 -6.032 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.638 -10.935 -4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.235 -8.002 -3.624 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -10.944 -9.727 -3.379 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.486 -8.552 -7.394 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.356 -7.636 -7.272 1.00 0.00 C ATOM 1534 C ALA A 97 -6.515 -6.695 -6.083 1.00 0.00 C ATOM 1535 O ALA A 97 -5.527 -6.290 -5.467 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.189 -6.839 -8.557 1.00 0.00 C ATOM 0 H ALA A 97 -7.985 -8.480 -8.280 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.461 -8.234 -7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.343 -6.159 -8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.008 -7.521 -9.388 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.095 -6.265 -8.750 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.757 -6.357 -5.757 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.030 -5.468 -4.633 1.00 0.00 C ATOM 1544 C CYS A 98 -7.587 -6.105 -3.317 1.00 0.00 C ATOM 1545 O CYS A 98 -7.002 -5.443 -2.464 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.518 -5.118 -4.558 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.190 -4.363 -6.073 1.00 0.00 S ATOM 0 H CYS A 98 -8.587 -6.683 -6.252 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.461 -4.552 -4.794 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.081 -6.025 -4.338 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.676 -4.434 -3.724 1.00 0.00 H new ATOM 1552 N HIS A 99 -7.844 -7.400 -3.166 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.504 -8.097 -1.930 1.00 0.00 C ATOM 1554 C HIS A 99 -6.008 -8.387 -1.900 1.00 0.00 C ATOM 1555 O HIS A 99 -5.386 -8.410 -0.839 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.303 -9.403 -1.813 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.383 -9.958 -0.419 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -9.577 -10.138 0.244 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -7.417 -10.382 0.434 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -9.345 -10.643 1.441 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.044 -10.800 1.581 1.00 0.00 N ATOM 0 H HIS A 99 -8.283 -7.985 -3.877 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.761 -7.462 -1.083 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.314 -9.230 -2.181 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.850 -10.151 -2.464 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.354 -10.389 0.246 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.094 -10.886 2.180 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.578 -11.172 2.409 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.447 -8.587 -3.085 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.028 -8.893 -3.237 1.00 0.00 C ATOM 1572 C TRP A 100 -3.175 -7.731 -2.725 1.00 0.00 C ATOM 1573 O TRP A 100 -2.305 -7.912 -1.869 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.723 -9.180 -4.718 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.342 -9.704 -4.981 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.418 -10.103 -4.060 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.742 -9.907 -6.265 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.278 -10.529 -4.694 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.453 -10.423 -6.047 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.171 -9.703 -7.580 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.412 -10.736 -7.094 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.314 -10.015 -8.616 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.036 -10.527 -8.370 1.00 0.00 C ATOM 0 H TRP A 100 -5.959 -8.542 -3.966 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.784 -9.776 -2.647 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.449 -9.902 -5.091 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.864 -8.262 -5.289 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.562 -10.086 -2.990 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.565 -10.870 -4.231 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.156 -9.308 -7.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.400 -11.129 -6.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.636 -9.861 -9.635 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.610 -10.762 -9.203 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.450 -6.538 -3.239 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.719 -5.343 -2.843 1.00 0.00 C ATOM 1596 C ALA A 101 -2.993 -4.989 -1.389 1.00 0.00 C ATOM 1597 O ALA A 101 -2.098 -4.553 -0.662 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.100 -4.178 -3.740 1.00 0.00 C ATOM 0 H ALA A 101 -4.178 -6.373 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.654 -5.547 -2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.548 -3.289 -3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.856 -4.420 -4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.170 -3.988 -3.655 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.234 -5.192 -0.969 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.659 -4.810 0.365 1.00 0.00 C ATOM 1606 C PHE A 102 -3.959 -5.640 1.436 1.00 0.00 C ATOM 1607 O PHE A 102 -3.628 -5.127 2.504 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.175 -4.934 0.503 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.693 -4.482 1.843 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -7.117 -5.400 2.793 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.752 -3.130 2.152 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.587 -4.980 4.023 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.221 -2.706 3.381 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.640 -3.631 4.317 1.00 0.00 C ATOM 0 H PHE A 102 -4.964 -5.621 -1.537 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.377 -3.768 0.513 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.653 -4.346 -0.280 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.463 -5.973 0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.079 -6.456 2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.428 -2.401 1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.913 -5.706 4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.260 -1.651 3.609 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.008 -3.301 5.277 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.716 -6.916 1.150 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.084 -7.792 2.125 1.00 0.00 C ATOM 1626 C ARG A 103 -1.612 -7.432 2.268 1.00 0.00 C ATOM 1627 O ARG A 103 -1.043 -7.523 3.354 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.239 -9.259 1.737 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.800 -10.203 2.846 1.00 0.00 C ATOM 1630 CD ARG A 103 -3.132 -11.655 2.542 1.00 0.00 C ATOM 1631 NE ARG A 103 -2.676 -12.053 1.215 1.00 0.00 N ATOM 1632 CZ ARG A 103 -3.490 -12.498 0.257 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -4.786 -12.654 0.503 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -3.010 -12.799 -0.943 1.00 0.00 N ATOM 0 H ARG A 103 -3.945 -7.360 0.261 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.582 -7.650 3.084 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.281 -9.457 1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.652 -9.459 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.725 -10.104 2.998 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.282 -9.911 3.779 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.670 -12.297 3.292 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.209 -11.804 2.615 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.679 -11.987 1.008 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -5.160 -12.433 1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.407 -12.994 -0.231 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.014 -12.690 -1.136 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.637 -13.139 -1.672 1.00 0.00 H new ATOM 1648 N GLY A 104 -1.009 -7.000 1.164 1.00 0.00 N ATOM 1649 CA GLY A 104 0.369 -6.549 1.199 1.00 0.00 C ATOM 1650 C GLY A 104 0.526 -5.311 2.061 1.00 0.00 C ATOM 1651 O GLY A 104 1.425 -5.232 2.901 1.00 0.00 O ATOM 0 H GLY A 104 -1.451 -6.955 0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.004 -7.346 1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.709 -6.334 0.186 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.374 -4.354 1.860 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.361 -3.105 2.610 1.00 0.00 C ATOM 1657 C PHE A 105 -0.632 -3.355 4.090 1.00 0.00 C ATOM 1658 O PHE A 105 0.083 -2.856 4.956 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.397 -2.142 2.020 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.674 -0.930 2.867 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -2.975 -0.570 3.189 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.630 -0.150 3.338 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.225 0.545 3.964 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -0.879 0.966 4.114 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.177 1.313 4.427 1.00 0.00 C ATOM 0 H PHE A 105 -1.128 -4.422 1.177 1.00 0.00 H new ATOM 0 HA PHE A 105 0.628 -2.654 2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.052 -1.814 1.039 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.331 -2.683 1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.800 -1.168 2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.388 -0.417 3.096 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.242 0.816 4.208 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.057 1.567 4.475 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.372 2.185 5.034 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.654 -4.155 4.362 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.073 -4.439 5.730 1.00 0.00 C ATOM 1677 C LYS A 106 -0.973 -5.168 6.501 1.00 0.00 C ATOM 1678 O LYS A 106 -0.700 -4.849 7.658 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.381 -5.247 5.726 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.611 -6.072 6.977 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.870 -6.917 6.860 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.105 -7.755 8.109 1.00 0.00 C ATOM 1683 NZ LYS A 106 -6.305 -8.621 7.982 1.00 0.00 N ATOM 0 H LYS A 106 -2.213 -4.623 3.648 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.256 -3.493 6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.218 -4.560 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.381 -5.912 4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.751 -6.719 7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.693 -5.412 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.729 -6.268 6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.789 -7.572 5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.229 -8.375 8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.223 -7.097 8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.272 -9.368 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.162 -8.048 8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.322 -9.055 7.037 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.338 -6.136 5.847 1.00 0.00 N ATOM 1698 CA CYS A 107 0.747 -6.899 6.453 1.00 0.00 C ATOM 1699 C CYS A 107 1.908 -5.986 6.832 1.00 0.00 C ATOM 1700 O CYS A 107 2.440 -6.058 7.942 1.00 0.00 O ATOM 1701 CB CYS A 107 1.219 -7.992 5.481 1.00 0.00 C ATOM 1702 SG CYS A 107 2.792 -8.805 5.935 1.00 0.00 S ATOM 0 H CYS A 107 -0.559 -6.412 4.890 1.00 0.00 H new ATOM 0 HA CYS A 107 0.377 -7.368 7.365 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.442 -8.753 5.409 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.328 -7.553 4.489 1.00 0.00 H new ATOM 1707 N PHE A 108 2.271 -5.103 5.912 1.00 0.00 N ATOM 1708 CA PHE A 108 3.443 -4.265 6.079 1.00 0.00 C ATOM 1709 C PHE A 108 3.216 -3.217 7.166 1.00 0.00 C ATOM 1710 O PHE A 108 4.026 -3.081 8.080 1.00 0.00 O ATOM 1711 CB PHE A 108 3.793 -3.600 4.750 1.00 0.00 C ATOM 1712 CG PHE A 108 5.182 -3.029 4.701 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.234 -3.791 4.220 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.436 -1.737 5.129 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.511 -3.275 4.168 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.715 -1.217 5.080 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.753 -1.987 4.598 1.00 0.00 C ATOM 0 H PHE A 108 1.766 -4.951 5.039 1.00 0.00 H new ATOM 0 HA PHE A 108 4.279 -4.890 6.393 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.683 -4.331 3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.076 -2.803 4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.052 -4.800 3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.626 -1.130 5.505 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.322 -3.879 3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.902 -0.209 5.419 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.753 -1.582 4.557 1.00 0.00 H new ATOM 1727 N GLN A 109 2.098 -2.500 7.082 1.00 0.00 N ATOM 1728 CA GLN A 109 1.785 -1.446 8.045 1.00 0.00 C ATOM 1729 C GLN A 109 1.629 -2.010 9.455 1.00 0.00 C ATOM 1730 O GLN A 109 1.871 -1.315 10.443 1.00 0.00 O ATOM 1731 CB GLN A 109 0.520 -0.684 7.625 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.766 -1.504 7.638 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.634 -1.243 8.858 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.141 -0.925 9.939 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -2.940 -1.371 8.693 1.00 0.00 N ATOM 0 H GLN A 109 1.393 -2.629 6.356 1.00 0.00 H new ATOM 0 HA GLN A 109 2.622 -0.748 8.055 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.393 0.171 8.288 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.670 -0.289 6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.340 -1.281 6.738 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.513 -2.564 7.601 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.315 -1.636 7.782 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.572 -1.204 9.476 1.00 0.00 H new ATOM 1744 N LYS A 110 1.248 -3.278 9.540 1.00 0.00 N ATOM 1745 CA LYS A 110 1.012 -3.926 10.819 1.00 0.00 C ATOM 1746 C LYS A 110 2.314 -4.066 11.602 1.00 0.00 C ATOM 1747 O LYS A 110 2.309 -4.173 12.826 1.00 0.00 O ATOM 1748 CB LYS A 110 0.384 -5.298 10.582 1.00 0.00 C ATOM 1749 CG LYS A 110 -0.081 -5.995 11.846 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.792 -7.303 11.541 1.00 0.00 C ATOM 1751 CE LYS A 110 0.184 -8.383 11.108 1.00 0.00 C ATOM 1752 NZ LYS A 110 1.097 -8.781 12.213 1.00 0.00 N ATOM 0 H LYS A 110 1.096 -3.880 8.731 1.00 0.00 H new ATOM 0 HA LYS A 110 0.330 -3.312 11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.466 -5.185 9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.109 -5.935 10.075 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.776 -6.189 12.490 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.752 -5.337 12.398 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.336 -7.637 12.425 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.530 -7.142 10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.370 -9.256 10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.772 -8.024 10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.528 -9.701 11.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.844 -8.065 12.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.558 -8.855 13.099 1.00 0.00 H new ATOM 1766 N ASN A 111 3.427 -4.052 10.885 1.00 0.00 N ATOM 1767 CA ASN A 111 4.735 -4.178 11.511 1.00 0.00 C ATOM 1768 C ASN A 111 5.531 -2.885 11.376 1.00 0.00 C ATOM 1769 O ASN A 111 6.259 -2.494 12.289 1.00 0.00 O ATOM 1770 CB ASN A 111 5.532 -5.329 10.891 1.00 0.00 C ATOM 1771 CG ASN A 111 4.844 -6.676 11.014 1.00 0.00 C ATOM 1772 OD1 ASN A 111 5.023 -7.388 12.000 1.00 0.00 O ATOM 1773 ND2 ASN A 111 4.070 -7.053 10.008 1.00 0.00 N ATOM 0 H ASN A 111 3.451 -3.955 9.870 1.00 0.00 H new ATOM 0 HA ASN A 111 4.570 -4.387 12.568 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.706 -5.114 9.837 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.509 -5.384 11.371 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.601 -7.958 10.037 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.943 -6.438 9.204 1.00 0.00 H new ATOM 1780 N ASN A 112 5.372 -2.209 10.242 1.00 0.00 N ATOM 1781 CA ASN A 112 6.211 -1.062 9.905 1.00 0.00 C ATOM 1782 C ASN A 112 5.374 0.077 9.333 1.00 0.00 C ATOM 1783 O ASN A 112 5.410 0.340 8.131 1.00 0.00 O ATOM 1784 CB ASN A 112 7.265 -1.473 8.873 1.00 0.00 C ATOM 1785 CG ASN A 112 8.209 -2.551 9.370 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.680 -2.512 10.508 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.466 -3.540 8.529 1.00 0.00 N ATOM 0 H ASN A 112 4.668 -2.436 9.539 1.00 0.00 H new ATOM 0 HA ASN A 112 6.697 -0.719 10.819 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.762 -1.828 7.973 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.846 -0.595 8.589 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.074 -4.307 8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 112 8.056 -3.535 7.595 1.00 0.00 H new ATOM 1794 N LEU A 113 4.623 0.755 10.185 1.00 0.00 N ATOM 1795 CA LEU A 113 3.775 1.853 9.733 1.00 0.00 C ATOM 1796 C LEU A 113 4.546 3.172 9.709 1.00 0.00 C ATOM 1797 O LEU A 113 4.297 4.033 8.861 1.00 0.00 O ATOM 1798 CB LEU A 113 2.533 1.979 10.617 1.00 0.00 C ATOM 1799 CG LEU A 113 1.634 3.172 10.307 1.00 0.00 C ATOM 1800 CD1 LEU A 113 1.052 3.043 8.910 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.528 3.281 11.344 1.00 0.00 C ATOM 0 H LEU A 113 4.581 0.569 11.187 1.00 0.00 H new ATOM 0 HA LEU A 113 3.455 1.628 8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.945 1.066 10.522 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.852 2.045 11.657 1.00 0.00 H new ATOM 0 HG LEU A 113 2.231 4.083 10.346 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.412 3.901 8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.861 3.008 8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.464 2.128 8.844 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.106 4.136 11.111 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.072 2.371 11.333 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.968 3.414 12.332 1.00 0.00 H new ATOM 1813 N SER A 114 5.490 3.323 10.628 1.00 0.00 N ATOM 1814 CA SER A 114 6.270 4.551 10.723 1.00 0.00 C ATOM 1815 C SER A 114 7.111 4.750 9.464 1.00 0.00 C ATOM 1816 O SER A 114 7.309 5.879 9.011 1.00 0.00 O ATOM 1817 CB SER A 114 7.167 4.520 11.962 1.00 0.00 C ATOM 1818 OG SER A 114 7.794 5.775 12.176 1.00 0.00 O ATOM 0 H SER A 114 5.734 2.612 11.318 1.00 0.00 H new ATOM 0 HA SER A 114 5.580 5.390 10.814 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.574 4.254 12.837 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.926 3.747 11.845 1.00 0.00 H new ATOM 0 HG SER A 114 8.360 5.726 12.975 1.00 0.00 H new ATOM 1824 N LEU A 115 7.586 3.648 8.893 1.00 0.00 N ATOM 1825 CA LEU A 115 8.351 3.696 7.658 1.00 0.00 C ATOM 1826 C LEU A 115 7.477 4.211 6.522 1.00 0.00 C ATOM 1827 O LEU A 115 7.924 4.990 5.683 1.00 0.00 O ATOM 1828 CB LEU A 115 8.891 2.309 7.316 1.00 0.00 C ATOM 1829 CG LEU A 115 9.810 2.245 6.100 1.00 0.00 C ATOM 1830 CD1 LEU A 115 11.103 2.984 6.383 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.095 0.802 5.717 1.00 0.00 C ATOM 0 H LEU A 115 7.453 2.709 9.269 1.00 0.00 H new ATOM 0 HA LEU A 115 9.192 4.376 7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.433 1.926 8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 115 8.047 1.641 7.147 1.00 0.00 H new ATOM 0 HG LEU A 115 9.308 2.727 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.751 2.932 5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.884 4.027 6.610 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.605 2.525 7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.752 0.779 4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.579 0.293 6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.159 0.297 5.478 1.00 0.00 H new ATOM 1843 N ILE A 116 6.215 3.789 6.528 1.00 0.00 N ATOM 1844 CA ILE A 116 5.263 4.184 5.502 1.00 0.00 C ATOM 1845 C ILE A 116 5.032 5.690 5.546 1.00 0.00 C ATOM 1846 O ILE A 116 4.989 6.359 4.513 1.00 0.00 O ATOM 1847 CB ILE A 116 3.914 3.446 5.675 1.00 0.00 C ATOM 1848 CG1 ILE A 116 4.118 1.935 5.549 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.897 3.934 4.653 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.835 1.147 5.670 1.00 0.00 C ATOM 0 H ILE A 116 5.829 3.169 7.240 1.00 0.00 H new ATOM 0 HA ILE A 116 5.684 3.910 4.535 1.00 0.00 H new ATOM 0 HB ILE A 116 3.527 3.665 6.670 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.581 1.717 4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.814 1.604 6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.956 3.402 4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.732 5.003 4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.273 3.747 3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.051 0.083 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.382 1.337 6.643 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.145 1.452 4.883 1.00 0.00 H new ATOM 1862 N LYS A 117 4.908 6.216 6.758 1.00 0.00 N ATOM 1863 CA LYS A 117 4.726 7.645 6.963 1.00 0.00 C ATOM 1864 C LYS A 117 5.958 8.415 6.497 1.00 0.00 C ATOM 1865 O LYS A 117 5.848 9.497 5.920 1.00 0.00 O ATOM 1866 CB LYS A 117 4.439 7.935 8.436 1.00 0.00 C ATOM 1867 CG LYS A 117 3.063 7.458 8.888 1.00 0.00 C ATOM 1868 CD LYS A 117 2.818 7.739 10.365 1.00 0.00 C ATOM 1869 CE LYS A 117 1.401 7.368 10.779 1.00 0.00 C ATOM 1870 NZ LYS A 117 1.159 7.628 12.222 1.00 0.00 N ATOM 0 H LYS A 117 4.931 5.669 7.619 1.00 0.00 H new ATOM 0 HA LYS A 117 3.873 7.975 6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.202 7.455 9.049 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.519 9.008 8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.295 7.952 8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.971 6.388 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.532 7.176 10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.992 8.796 10.569 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.688 7.937 10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.225 6.314 10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.183 7.362 12.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.822 7.065 12.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.302 8.639 12.421 1.00 0.00 H new ATOM 1884 N ALA A 118 7.128 7.837 6.742 1.00 0.00 N ATOM 1885 CA ALA A 118 8.392 8.432 6.325 1.00 0.00 C ATOM 1886 C ALA A 118 8.533 8.441 4.807 1.00 0.00 C ATOM 1887 O ALA A 118 9.115 9.361 4.232 1.00 0.00 O ATOM 1888 CB ALA A 118 9.542 7.668 6.943 1.00 0.00 C ATOM 0 H ALA A 118 7.227 6.948 7.232 1.00 0.00 H new ATOM 0 HA ALA A 118 8.408 9.466 6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.486 8.115 6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.464 7.709 8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.506 6.629 6.616 1.00 0.00 H new ATOM 1894 N SER A 119 7.996 7.410 4.169 1.00 0.00 N ATOM 1895 CA SER A 119 8.091 7.252 2.721 1.00 0.00 C ATOM 1896 C SER A 119 7.419 8.405 1.977 1.00 0.00 C ATOM 1897 O SER A 119 7.852 8.789 0.890 1.00 0.00 O ATOM 1898 CB SER A 119 7.457 5.926 2.308 1.00 0.00 C ATOM 1899 OG SER A 119 8.006 4.858 3.052 1.00 0.00 O ATOM 0 H SER A 119 7.484 6.662 4.636 1.00 0.00 H new ATOM 0 HA SER A 119 9.147 7.259 2.452 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.379 5.968 2.464 1.00 0.00 H new ATOM 0 HB3 SER A 119 7.619 5.756 1.244 1.00 0.00 H new ATOM 0 HG SER A 119 7.582 4.822 3.935 1.00 0.00 H new ATOM 1905 N ILE A 120 6.364 8.950 2.562 1.00 0.00 N ATOM 1906 CA ILE A 120 5.638 10.050 1.944 1.00 0.00 C ATOM 1907 C ILE A 120 5.980 11.383 2.609 1.00 0.00 C ATOM 1908 O ILE A 120 5.369 12.409 2.317 1.00 0.00 O ATOM 1909 CB ILE A 120 4.115 9.823 2.013 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.677 9.608 3.459 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.723 8.631 1.155 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.178 9.616 3.642 1.00 0.00 C ATOM 0 H ILE A 120 5.991 8.650 3.463 1.00 0.00 H new ATOM 0 HA ILE A 120 5.945 10.086 0.899 1.00 0.00 H new ATOM 0 HB ILE A 120 3.610 10.709 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.073 8.656 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.115 10.387 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.645 8.481 1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.009 8.818 0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.233 7.739 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.939 9.458 4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.777 10.577 3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.734 8.819 3.045 1.00 0.00 H new ATOM 1924 N LYS A 121 6.957 11.364 3.501 1.00 0.00 N ATOM 1925 CA LYS A 121 7.360 12.569 4.202 1.00 0.00 C ATOM 1926 C LYS A 121 8.403 13.344 3.405 1.00 0.00 C ATOM 1927 O LYS A 121 9.370 12.769 2.898 1.00 0.00 O ATOM 1928 CB LYS A 121 7.928 12.220 5.575 1.00 0.00 C ATOM 1929 CG LYS A 121 8.302 13.445 6.391 1.00 0.00 C ATOM 1930 CD LYS A 121 9.119 13.082 7.616 1.00 0.00 C ATOM 1931 CE LYS A 121 9.530 14.324 8.389 1.00 0.00 C ATOM 1932 NZ LYS A 121 10.291 15.286 7.544 1.00 0.00 N ATOM 0 H LYS A 121 7.484 10.529 3.755 1.00 0.00 H new ATOM 0 HA LYS A 121 6.476 13.194 4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 121 7.194 11.633 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.810 11.591 5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.870 14.136 5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.396 13.965 6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.538 12.424 8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 121 10.008 12.528 7.313 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.641 14.815 8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 121 10.140 14.033 9.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.709 16.023 8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 11.047 14.782 7.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 9.649 15.726 6.855 1.00 0.00 H new ATOM 1946 N LYS A 122 8.194 14.649 3.293 1.00 0.00 N ATOM 1947 CA LYS A 122 9.176 15.528 2.674 1.00 0.00 C ATOM 1948 C LYS A 122 10.415 15.592 3.551 1.00 0.00 C ATOM 1949 O LYS A 122 10.325 15.906 4.738 1.00 0.00 O ATOM 1950 CB LYS A 122 8.616 16.943 2.484 1.00 0.00 C ATOM 1951 CG LYS A 122 7.141 17.086 2.818 1.00 0.00 C ATOM 1952 CD LYS A 122 6.691 18.533 2.732 1.00 0.00 C ATOM 1953 CE LYS A 122 5.265 18.702 3.226 1.00 0.00 C ATOM 1954 NZ LYS A 122 4.856 20.130 3.253 1.00 0.00 N ATOM 0 H LYS A 122 7.353 15.122 3.623 1.00 0.00 H new ATOM 0 HA LYS A 122 9.426 15.125 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.185 17.632 3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 122 8.772 17.246 1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.551 16.479 2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.955 16.705 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.359 19.159 3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.763 18.877 1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.588 18.142 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.174 18.279 4.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.877 20.204 3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.486 20.660 3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.918 20.527 2.294 1.00 0.00 H new ATOM 1968 N ASP A 123 11.561 15.273 2.979 1.00 0.00 N ATOM 1969 CA ASP A 123 12.804 15.265 3.735 1.00 0.00 C ATOM 1970 C ASP A 123 13.587 16.542 3.486 1.00 0.00 C ATOM 1971 O ASP A 123 13.591 17.422 4.372 1.00 0.00 O ATOM 1972 CB ASP A 123 13.653 14.055 3.365 1.00 0.00 C ATOM 1973 CG ASP A 123 14.881 13.931 4.243 1.00 0.00 C ATOM 1974 OD1 ASP A 123 14.751 13.432 5.378 1.00 0.00 O ATOM 1975 OD2 ASP A 123 15.983 14.322 3.801 1.00 0.00 O ATOM 1976 OXT ASP A 123 14.180 16.671 2.398 1.00 0.00 O ATOM 0 H ASP A 123 11.659 15.016 1.997 1.00 0.00 H new ATOM 0 HA ASP A 123 12.554 15.205 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 123 13.052 13.150 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 123 13.960 14.133 2.322 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.335 6.993 2.534 1.00 0.00 C HETATM 1983 C2 ACD A 201 -3.776 5.640 2.156 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.716 5.813 1.076 1.00 0.00 C HETATM 1985 C4 ACD A 201 -2.078 4.478 0.699 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.374 3.898 1.895 1.00 0.00 C HETATM 1987 C6 ACD A 201 -0.120 4.210 2.120 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.561 5.234 1.245 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.845 5.702 1.877 1.00 0.00 C HETATM 1990 C9 ACD A 201 2.991 5.190 1.500 1.00 0.00 C HETATM 1991 C10 ACD A 201 3.032 4.182 0.383 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.429 3.630 0.239 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.614 2.343 0.088 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.437 1.418 -0.055 1.00 0.00 C HETATM 1995 C14 ACD A 201 3.014 0.940 1.308 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.986 -0.341 1.573 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.481 -1.331 0.550 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.616 -2.710 1.188 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.827 -3.793 0.132 1.00 0.00 C HETATM 2000 C19 ACD A 201 3.984 -5.162 0.794 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.032 -6.276 -0.245 1.00 0.00 C HETATM 2002 O1 ACD A 201 -5.550 7.201 2.377 1.00 0.00 O HETATM 2003 O2 ACD A 201 -3.556 7.859 2.983 1.00 0.00 O HETATM 0 H203 ACD A 201 3.108 -6.274 -0.823 1.00 0.00 H new HETATM 0 H202 ACD A 201 4.878 -6.115 -0.913 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.144 -7.237 0.257 1.00 0.00 H new HETATM 0 H192 ACD A 201 4.896 -5.178 1.390 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.153 -5.335 1.478 1.00 0.00 H new HETATM 0 H182 ACD A 201 2.981 -3.809 -0.555 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.713 -3.565 -0.460 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.455 -2.710 1.884 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.720 -2.934 1.767 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.789 -1.376 -0.291 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.444 -1.008 0.154 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.611 1.934 -0.545 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.701 0.569 -0.685 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.331 3.372 0.586 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.718 4.648 -0.551 1.00 0.00 H new HETATM 0 HO2 ACD A 201 -3.840 8.119 3.884 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.913 5.494 1.995 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.821 6.469 2.651 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.768 4.803 0.265 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.103 6.084 1.086 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.427 3.733 2.933 1.00 0.00 H new HETATM 0 H5 ACD A 201 -1.902 3.224 2.569 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.842 3.786 0.343 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.371 4.620 -0.118 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.166 6.265 0.192 1.00 0.00 H new HETATM 0 H31 ACD A 201 -1.946 6.499 1.428 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.343 5.156 3.031 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.575 4.992 1.796 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.605 -0.692 2.532 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.731 1.661 2.075 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.626 1.940 0.066 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.285 4.304 0.261 1.00 0.00 H new