USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 907 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 THR OG1 : rot 168:sc= -3.14! USER MOD Set 1.2: A 109 HIS : no HE2:sc= -13.9! C(o=-17!,f=-22!) USER MOD Set 2.1: A 69 THR OG1 : rot -65:sc= 0.992 USER MOD Set 2.2: A 71 SER OG : rot -159:sc= 0.0861 USER MOD Set 2.3: A 73 GLN : amide:sc= -0.147 K(o=0.93,f=-2.2!) USER MOD Set 3.1: A 19 SER OG : rot 130:sc= -0.0099 USER MOD Set 3.2: A 40 MET CE :methyl 177:sc= -0.175 (180deg=-0.216) USER MOD Single : A 1 SER N :NH3+ 168:sc= -0.0138 (180deg=-0.181) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -70:sc= -0.177 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -3.19! C(o=-4.6!,f=-3.2!) USER MOD Single : A 15 ASN :FLIP amide:sc= 0.783 F(o=-0.2,f=0.78) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 166:sc= 1.38 USER MOD Single : A 26 THR OG1 : rot -18:sc= 1.26 USER MOD Single : A 28 THR OG1 : rot -111:sc= 0.804 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.087 USER MOD Single : A 38 GLN : amide:sc= -0.345 K(o=-0.35,f=-3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0949 X(o=-0.095,f=-0.34) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -142:sc= -0.165 (180deg=-1.33!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -6.55! C(o=-6.5!,f=-6.7!) USER MOD Single : A 80 GLN : amide:sc= -0.689 X(o=-0.69,f=-1) USER MOD Single : A 88 GLN : amide:sc= -0.914 X(o=-0.91,f=-0.55) USER MOD Single : A 90 GLN : amide:sc= -0.85 K(o=-0.85,f=-5.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 139:sc= -0.0181 USER MOD Single : A 104 ASN : amide:sc= -2.34! K(o=-2.3!,f=-4.4) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.116 -17.440 3.998 1.00 0.00 N ATOM 2 CA SER A 1 -12.900 -16.699 2.723 1.00 0.00 C ATOM 3 C SER A 1 -14.243 -16.491 2.002 1.00 0.00 C ATOM 4 O SER A 1 -14.300 -16.420 0.782 1.00 0.00 O ATOM 5 CB SER A 1 -11.945 -17.503 1.836 1.00 0.00 C ATOM 6 OG SER A 1 -10.605 -17.132 2.132 1.00 0.00 O ATOM 0 H1 SER A 1 -12.200 -17.754 4.377 1.00 0.00 H new ATOM 0 H2 SER A 1 -13.580 -16.816 4.688 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.719 -18.268 3.820 1.00 0.00 H new ATOM 0 HA SER A 1 -12.466 -15.722 2.935 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.085 -18.571 2.005 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.163 -17.316 0.784 1.00 0.00 H new ATOM 0 HG SER A 1 -9.991 -17.646 1.567 1.00 0.00 H new ATOM 14 N VAL A 2 -15.320 -16.382 2.755 1.00 0.00 N ATOM 15 CA VAL A 2 -16.675 -16.169 2.145 1.00 0.00 C ATOM 16 C VAL A 2 -17.124 -14.715 2.426 1.00 0.00 C ATOM 17 O VAL A 2 -16.756 -13.816 1.686 1.00 0.00 O ATOM 18 CB VAL A 2 -17.670 -17.236 2.689 1.00 0.00 C ATOM 19 CG1 VAL A 2 -17.459 -17.477 4.192 1.00 0.00 C ATOM 20 CG2 VAL A 2 -19.128 -16.815 2.428 1.00 0.00 C ATOM 0 H VAL A 2 -15.315 -16.432 3.774 1.00 0.00 H new ATOM 0 HA VAL A 2 -16.644 -16.299 1.063 1.00 0.00 H new ATOM 0 HB VAL A 2 -17.472 -18.166 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -18.168 -18.227 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -16.442 -17.830 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -17.617 -16.545 4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -19.802 -17.578 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -19.327 -15.866 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.288 -16.703 1.356 1.00 0.00 H new ATOM 30 N GLY A 3 -17.898 -14.472 3.472 1.00 0.00 N ATOM 31 CA GLY A 3 -18.352 -13.079 3.787 1.00 0.00 C ATOM 32 C GLY A 3 -17.145 -12.233 4.199 1.00 0.00 C ATOM 33 O GLY A 3 -16.356 -11.835 3.361 1.00 0.00 O ATOM 0 H GLY A 3 -18.232 -15.187 4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -18.840 -12.638 2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -19.089 -13.097 4.590 1.00 0.00 H new ATOM 37 N THR A 4 -17.013 -11.954 5.487 1.00 0.00 N ATOM 38 CA THR A 4 -15.871 -11.127 6.025 1.00 0.00 C ATOM 39 C THR A 4 -15.610 -9.911 5.117 1.00 0.00 C ATOM 40 O THR A 4 -14.556 -9.772 4.513 1.00 0.00 O ATOM 41 CB THR A 4 -14.603 -11.997 6.171 1.00 0.00 C ATOM 42 OG1 THR A 4 -13.511 -11.175 6.558 1.00 0.00 O ATOM 43 CG2 THR A 4 -14.262 -12.685 4.851 1.00 0.00 C ATOM 0 H THR A 4 -17.666 -12.274 6.202 1.00 0.00 H new ATOM 0 HA THR A 4 -16.142 -10.754 7.013 1.00 0.00 H new ATOM 0 HB THR A 4 -14.792 -12.759 6.927 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.256 -10.596 5.809 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.366 -13.292 4.978 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.092 -13.323 4.548 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.084 -11.932 4.083 1.00 0.00 H new ATOM 51 N SER A 5 -16.593 -9.041 5.022 1.00 0.00 N ATOM 52 CA SER A 5 -16.471 -7.819 4.166 1.00 0.00 C ATOM 53 C SER A 5 -15.526 -6.800 4.845 1.00 0.00 C ATOM 54 O SER A 5 -15.971 -5.888 5.528 1.00 0.00 O ATOM 55 CB SER A 5 -17.866 -7.205 3.973 1.00 0.00 C ATOM 56 OG SER A 5 -18.325 -7.488 2.657 1.00 0.00 O ATOM 0 H SER A 5 -17.485 -9.130 5.509 1.00 0.00 H new ATOM 0 HA SER A 5 -16.055 -8.085 3.194 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.560 -7.612 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.827 -6.128 4.133 1.00 0.00 H new ATOM 0 HG SER A 5 -19.216 -7.099 2.531 1.00 0.00 H new ATOM 62 N CYS A 6 -14.223 -6.955 4.659 1.00 0.00 N ATOM 63 CA CYS A 6 -13.230 -6.015 5.274 1.00 0.00 C ATOM 64 C CYS A 6 -13.416 -5.968 6.795 1.00 0.00 C ATOM 65 O CYS A 6 -14.326 -5.330 7.298 1.00 0.00 O ATOM 66 CB CYS A 6 -13.427 -4.615 4.686 1.00 0.00 C ATOM 67 SG CYS A 6 -13.401 -4.717 2.877 1.00 0.00 S ATOM 0 H CYS A 6 -13.810 -7.702 4.101 1.00 0.00 H new ATOM 0 HA CYS A 6 -12.222 -6.366 5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -14.374 -4.196 5.025 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -12.640 -3.947 5.036 1.00 0.00 H new ATOM 72 N ILE A 7 -12.545 -6.640 7.521 1.00 0.00 N ATOM 73 CA ILE A 7 -12.627 -6.661 9.018 1.00 0.00 C ATOM 74 C ILE A 7 -11.220 -6.400 9.597 1.00 0.00 C ATOM 75 O ILE A 7 -10.250 -6.879 9.034 1.00 0.00 O ATOM 76 CB ILE A 7 -13.131 -8.042 9.468 1.00 0.00 C ATOM 77 CG1 ILE A 7 -14.539 -8.270 8.916 1.00 0.00 C ATOM 78 CG2 ILE A 7 -13.171 -8.124 10.998 1.00 0.00 C ATOM 79 CD1 ILE A 7 -14.934 -9.735 9.114 1.00 0.00 C ATOM 0 H ILE A 7 -11.772 -7.180 7.132 1.00 0.00 H new ATOM 0 HA ILE A 7 -13.313 -5.892 9.373 1.00 0.00 H new ATOM 0 HB ILE A 7 -12.452 -8.806 9.090 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -15.250 -7.619 9.424 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -14.572 -8.013 7.857 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -13.530 -9.108 11.300 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.169 -7.965 11.397 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -13.842 -7.358 11.386 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -15.937 -9.898 8.721 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -14.229 -10.377 8.586 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -14.918 -9.976 10.177 1.00 0.00 H new ATOM 91 N PRO A 8 -11.130 -5.659 10.703 1.00 0.00 N ATOM 92 CA PRO A 8 -9.828 -5.358 11.337 1.00 0.00 C ATOM 93 C PRO A 8 -9.333 -6.577 12.142 1.00 0.00 C ATOM 94 O PRO A 8 -9.773 -6.800 13.260 1.00 0.00 O ATOM 95 CB PRO A 8 -10.136 -4.176 12.264 1.00 0.00 C ATOM 96 CG PRO A 8 -11.654 -4.221 12.546 1.00 0.00 C ATOM 97 CD PRO A 8 -12.288 -5.058 11.421 1.00 0.00 C ATOM 0 HA PRO A 8 -9.043 -5.128 10.617 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.567 -4.252 13.191 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.857 -3.233 11.795 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.854 -4.668 13.520 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.074 -3.215 12.564 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.948 -5.827 11.823 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.889 -4.438 10.756 1.00 0.00 H new ATOM 105 N GLY A 9 -8.424 -7.367 11.584 1.00 0.00 N ATOM 106 CA GLY A 9 -7.895 -8.568 12.312 1.00 0.00 C ATOM 107 C GLY A 9 -8.395 -9.876 11.669 1.00 0.00 C ATOM 108 O GLY A 9 -7.911 -10.946 12.005 1.00 0.00 O ATOM 0 H GLY A 9 -8.031 -7.224 10.654 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.805 -8.550 12.305 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.207 -8.530 13.356 1.00 0.00 H new ATOM 112 N MET A 10 -9.347 -9.802 10.753 1.00 0.00 N ATOM 113 CA MET A 10 -9.874 -11.034 10.082 1.00 0.00 C ATOM 114 C MET A 10 -9.807 -10.811 8.552 1.00 0.00 C ATOM 115 O MET A 10 -10.528 -9.968 8.051 1.00 0.00 O ATOM 116 CB MET A 10 -11.334 -11.244 10.495 1.00 0.00 C ATOM 117 CG MET A 10 -11.429 -11.324 12.021 1.00 0.00 C ATOM 118 SD MET A 10 -11.238 -13.045 12.550 1.00 0.00 S ATOM 119 CE MET A 10 -10.312 -12.709 14.068 1.00 0.00 C ATOM 0 H MET A 10 -9.780 -8.931 10.445 1.00 0.00 H new ATOM 0 HA MET A 10 -9.287 -11.907 10.367 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.949 -10.424 10.125 1.00 0.00 H new ATOM 0 HB3 MET A 10 -11.721 -12.160 10.048 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.656 -10.705 12.477 1.00 0.00 H new ATOM 0 HG3 MET A 10 -12.390 -10.934 12.357 1.00 0.00 H new ATOM 0 HE1 MET A 10 -10.082 -13.649 14.569 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.384 -12.192 13.822 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.912 -12.083 14.729 1.00 0.00 H new ATOM 129 N ALA A 11 -8.945 -11.527 7.810 1.00 0.00 N ATOM 130 CA ALA A 11 -8.810 -11.331 6.315 1.00 0.00 C ATOM 131 C ALA A 11 -7.811 -10.198 6.056 1.00 0.00 C ATOM 132 O ALA A 11 -6.834 -10.386 5.348 1.00 0.00 O ATOM 133 CB ALA A 11 -10.156 -11.006 5.646 1.00 0.00 C ATOM 0 H ALA A 11 -8.329 -12.243 8.194 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.455 -12.265 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.007 -10.874 4.574 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.855 -11.825 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.562 -10.088 6.072 1.00 0.00 H new ATOM 139 N ILE A 12 -8.031 -9.037 6.646 1.00 0.00 N ATOM 140 CA ILE A 12 -7.086 -7.892 6.473 1.00 0.00 C ATOM 141 C ILE A 12 -6.427 -7.620 7.842 1.00 0.00 C ATOM 142 O ILE A 12 -7.070 -7.033 8.697 1.00 0.00 O ATOM 143 CB ILE A 12 -7.853 -6.645 6.010 1.00 0.00 C ATOM 144 CG1 ILE A 12 -8.597 -6.969 4.705 1.00 0.00 C ATOM 145 CG2 ILE A 12 -6.862 -5.494 5.776 1.00 0.00 C ATOM 146 CD1 ILE A 12 -9.356 -5.731 4.202 1.00 0.00 C ATOM 0 H ILE A 12 -8.834 -8.840 7.243 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.332 -8.130 5.723 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.572 -6.346 6.773 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.888 -7.302 3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.295 -7.790 4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.405 -4.608 5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.335 -5.273 6.704 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.142 -5.784 5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.878 -5.975 3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.079 -5.417 4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.650 -4.922 4.017 1.00 0.00 H new ATOM 158 N PRO A 13 -5.190 -8.084 8.057 1.00 0.00 N ATOM 159 CA PRO A 13 -4.520 -7.913 9.356 1.00 0.00 C ATOM 160 C PRO A 13 -3.896 -6.530 9.485 1.00 0.00 C ATOM 161 O PRO A 13 -3.867 -5.753 8.544 1.00 0.00 O ATOM 162 CB PRO A 13 -3.450 -9.003 9.368 1.00 0.00 C ATOM 163 CG PRO A 13 -3.182 -9.374 7.891 1.00 0.00 C ATOM 164 CD PRO A 13 -4.346 -8.794 7.059 1.00 0.00 C ATOM 0 HA PRO A 13 -5.214 -7.996 10.193 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.539 -8.647 9.850 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.789 -9.873 9.931 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.229 -8.964 7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.124 -10.456 7.770 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.984 -8.114 6.288 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.905 -9.581 6.553 1.00 0.00 H new ATOM 172 N HIS A 14 -3.412 -6.233 10.663 1.00 0.00 N ATOM 173 CA HIS A 14 -2.787 -4.924 10.951 1.00 0.00 C ATOM 174 C HIS A 14 -1.361 -4.924 10.358 1.00 0.00 C ATOM 175 O HIS A 14 -0.747 -5.972 10.248 1.00 0.00 O ATOM 176 CB HIS A 14 -2.759 -4.759 12.481 1.00 0.00 C ATOM 177 CG HIS A 14 -4.135 -5.042 13.049 1.00 0.00 C ATOM 178 ND1 HIS A 14 -4.756 -6.218 13.389 1.00 0.00 N flip ATOM 179 CD2 HIS A 14 -5.061 -4.039 13.312 1.00 0.00 C flip ATOM 180 CE1 HIS A 14 -6.042 -5.958 13.852 1.00 0.00 C flip ATOM 181 NE2 HIS A 14 -6.179 -4.631 13.784 1.00 0.00 N flip ATOM 0 H HIS A 14 -3.429 -6.871 11.458 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.340 -4.095 10.509 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.028 -5.440 12.917 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.448 -3.747 12.742 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.337 -7.145 13.313 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.913 -2.979 13.165 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.773 -6.676 14.193 1.00 0.00 H new ATOM 189 N ASN A 15 -0.843 -3.771 9.950 1.00 0.00 N ATOM 190 CA ASN A 15 0.526 -3.702 9.333 1.00 0.00 C ATOM 191 C ASN A 15 0.529 -4.431 7.959 1.00 0.00 C ATOM 192 O ASN A 15 1.351 -5.305 7.727 1.00 0.00 O ATOM 193 CB ASN A 15 1.550 -4.332 10.293 1.00 0.00 C ATOM 194 CG ASN A 15 2.958 -3.870 9.915 1.00 0.00 C ATOM 195 OD1 ASN A 15 3.567 -2.993 10.665 1.00 0.00 O flip ATOM 196 ND2 ASN A 15 3.510 -4.312 8.927 1.00 0.00 N flip ATOM 0 H ASN A 15 -1.321 -2.873 10.022 1.00 0.00 H new ATOM 0 HA ASN A 15 0.800 -2.661 9.163 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.325 -4.045 11.320 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.488 -5.419 10.245 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.034 -4.998 8.341 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.449 -3.997 8.684 1.00 0.00 H new ATOM 203 N PRO A 16 -0.387 -4.045 7.070 1.00 0.00 N ATOM 204 CA PRO A 16 -0.485 -4.651 5.719 1.00 0.00 C ATOM 205 C PRO A 16 0.585 -4.090 4.773 1.00 0.00 C ATOM 206 O PRO A 16 1.164 -3.046 5.020 1.00 0.00 O ATOM 207 CB PRO A 16 -1.869 -4.223 5.228 1.00 0.00 C ATOM 208 CG PRO A 16 -2.231 -2.945 6.017 1.00 0.00 C ATOM 209 CD PRO A 16 -1.414 -2.993 7.317 1.00 0.00 C ATOM 0 HA PRO A 16 -0.340 -5.731 5.747 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.858 -4.028 4.156 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.604 -5.009 5.402 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.992 -2.052 5.440 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.299 -2.910 6.231 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.952 -2.029 7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.042 -3.243 8.172 1.00 0.00 H new ATOM 217 N LEU A 17 0.817 -4.785 3.679 1.00 0.00 N ATOM 218 CA LEU A 17 1.815 -4.343 2.646 1.00 0.00 C ATOM 219 C LEU A 17 3.161 -3.959 3.303 1.00 0.00 C ATOM 220 O LEU A 17 3.748 -2.929 2.994 1.00 0.00 O ATOM 221 CB LEU A 17 1.240 -3.142 1.861 1.00 0.00 C ATOM 222 CG LEU A 17 0.105 -3.571 0.906 1.00 0.00 C ATOM 223 CD1 LEU A 17 0.538 -4.752 0.027 1.00 0.00 C ATOM 224 CD2 LEU A 17 -1.132 -3.962 1.714 1.00 0.00 C ATOM 0 H LEU A 17 0.345 -5.661 3.455 1.00 0.00 H new ATOM 0 HA LEU A 17 2.002 -5.171 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.863 -2.397 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.037 -2.667 1.288 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.130 -2.727 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.281 -5.032 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.404 -4.464 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.799 -5.600 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.930 -4.264 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.886 -4.792 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.464 -3.110 2.307 1.00 0.00 H new ATOM 236 N ASP A 18 3.658 -4.794 4.193 1.00 0.00 N ATOM 237 CA ASP A 18 4.975 -4.503 4.862 1.00 0.00 C ATOM 238 C ASP A 18 6.094 -4.573 3.817 1.00 0.00 C ATOM 239 O ASP A 18 7.061 -3.812 3.860 1.00 0.00 O ATOM 240 CB ASP A 18 5.237 -5.529 5.972 1.00 0.00 C ATOM 241 CG ASP A 18 5.181 -6.945 5.393 1.00 0.00 C ATOM 242 OD1 ASP A 18 4.090 -7.482 5.298 1.00 0.00 O ATOM 243 OD2 ASP A 18 6.229 -7.470 5.056 1.00 0.00 O ATOM 0 H ASP A 18 3.210 -5.663 4.485 1.00 0.00 H new ATOM 0 HA ASP A 18 4.946 -3.507 5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.213 -5.349 6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.495 -5.420 6.763 1.00 0.00 H new ATOM 248 N SER A 19 5.948 -5.478 2.876 1.00 0.00 N ATOM 249 CA SER A 19 6.963 -5.642 1.792 1.00 0.00 C ATOM 250 C SER A 19 6.991 -4.381 0.929 1.00 0.00 C ATOM 251 O SER A 19 8.001 -4.065 0.324 1.00 0.00 O ATOM 252 CB SER A 19 6.593 -6.849 0.929 1.00 0.00 C ATOM 253 OG SER A 19 7.777 -7.541 0.555 1.00 0.00 O ATOM 0 H SER A 19 5.156 -6.118 2.815 1.00 0.00 H new ATOM 0 HA SER A 19 7.948 -5.801 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.928 -7.514 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.053 -6.523 0.040 1.00 0.00 H new ATOM 0 HG SER A 19 7.674 -8.496 0.752 1.00 0.00 H new ATOM 259 N CYS A 20 5.886 -3.666 0.875 1.00 0.00 N ATOM 260 CA CYS A 20 5.812 -2.414 0.064 1.00 0.00 C ATOM 261 C CYS A 20 6.645 -1.327 0.746 1.00 0.00 C ATOM 262 O CYS A 20 7.416 -0.624 0.106 1.00 0.00 O ATOM 263 CB CYS A 20 4.355 -1.973 -0.037 1.00 0.00 C ATOM 264 SG CYS A 20 3.482 -2.963 -1.295 1.00 0.00 S ATOM 0 H CYS A 20 5.025 -3.905 1.367 1.00 0.00 H new ATOM 0 HA CYS A 20 6.204 -2.589 -0.938 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.865 -2.087 0.930 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.305 -0.916 -0.297 1.00 0.00 H new ATOM 269 N ARG A 21 6.492 -1.201 2.048 1.00 0.00 N ATOM 270 CA ARG A 21 7.253 -0.177 2.827 1.00 0.00 C ATOM 271 C ARG A 21 8.770 -0.431 2.656 1.00 0.00 C ATOM 272 O ARG A 21 9.527 0.464 2.258 1.00 0.00 O ATOM 273 CB ARG A 21 6.782 -0.242 4.314 1.00 0.00 C ATOM 274 CG ARG A 21 7.931 -0.499 5.310 1.00 0.00 C ATOM 275 CD ARG A 21 7.448 -0.207 6.733 1.00 0.00 C ATOM 276 NE ARG A 21 8.532 -0.535 7.705 1.00 0.00 N ATOM 277 CZ ARG A 21 8.450 -1.610 8.448 1.00 0.00 C ATOM 278 NH1 ARG A 21 7.943 -2.709 7.959 1.00 0.00 N ATOM 279 NH2 ARG A 21 8.881 -1.584 9.679 1.00 0.00 N ATOM 0 H ARG A 21 5.861 -1.775 2.607 1.00 0.00 H new ATOM 0 HA ARG A 21 7.061 0.832 2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.290 0.695 4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.038 -1.032 4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.268 -1.533 5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.785 0.133 5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.168 0.842 6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.557 -0.795 6.954 1.00 0.00 H new ATOM 0 HE ARG A 21 9.340 0.081 7.791 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.609 -2.732 6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.881 -3.545 8.540 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.281 -0.727 10.061 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.818 -2.421 10.259 1.00 0.00 H new ATOM 293 N TRP A 22 9.217 -1.641 2.955 1.00 0.00 N ATOM 294 CA TRP A 22 10.680 -1.943 2.813 1.00 0.00 C ATOM 295 C TRP A 22 11.087 -1.837 1.344 1.00 0.00 C ATOM 296 O TRP A 22 12.231 -1.533 1.039 1.00 0.00 O ATOM 297 CB TRP A 22 11.050 -3.326 3.354 1.00 0.00 C ATOM 298 CG TRP A 22 11.185 -3.224 4.824 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.502 -3.927 5.732 1.00 0.00 C ATOM 300 CD2 TRP A 22 12.068 -2.359 5.550 1.00 0.00 C ATOM 301 NE1 TRP A 22 10.911 -3.536 7.000 1.00 0.00 N ATOM 302 CE2 TRP A 22 11.890 -2.560 6.930 1.00 0.00 C ATOM 303 CE3 TRP A 22 12.997 -1.428 5.118 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.629 -1.836 7.867 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.752 -0.690 6.044 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.568 -0.896 7.422 1.00 0.00 C ATOM 0 H TRP A 22 8.640 -2.415 3.285 1.00 0.00 H new ATOM 0 HA TRP A 22 11.222 -1.208 3.409 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.283 -4.055 3.092 1.00 0.00 H new ATOM 0 HB3 TRP A 22 11.983 -3.671 2.909 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.755 -4.676 5.515 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.539 -3.918 7.869 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.142 -1.268 4.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.479 -1.999 8.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.473 0.035 5.698 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.149 -0.331 8.136 1.00 0.00 H new ATOM 317 N TYR A 23 10.154 -2.065 0.434 1.00 0.00 N ATOM 318 CA TYR A 23 10.475 -1.960 -1.021 1.00 0.00 C ATOM 319 C TYR A 23 10.792 -0.505 -1.325 1.00 0.00 C ATOM 320 O TYR A 23 11.620 -0.228 -2.167 1.00 0.00 O ATOM 321 CB TYR A 23 9.300 -2.449 -1.880 1.00 0.00 C ATOM 322 CG TYR A 23 9.705 -2.513 -3.341 1.00 0.00 C ATOM 323 CD1 TYR A 23 9.998 -1.349 -4.066 1.00 0.00 C ATOM 324 CD2 TYR A 23 9.797 -3.755 -3.967 1.00 0.00 C ATOM 325 CE1 TYR A 23 10.389 -1.437 -5.407 1.00 0.00 C ATOM 326 CE2 TYR A 23 10.186 -3.844 -5.306 1.00 0.00 C ATOM 327 CZ TYR A 23 10.485 -2.686 -6.027 1.00 0.00 C ATOM 328 OH TYR A 23 10.871 -2.775 -7.349 1.00 0.00 O ATOM 0 H TYR A 23 9.189 -2.318 0.645 1.00 0.00 H new ATOM 0 HA TYR A 23 11.331 -2.591 -1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.979 -3.434 -1.541 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.450 -1.778 -1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.922 -0.383 -3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.566 -4.654 -3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.617 -0.539 -5.963 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.256 -4.810 -5.784 1.00 0.00 H new ATOM 0 HH TYR A 23 10.887 -3.716 -7.622 1.00 0.00 H new ATOM 338 N VAL A 24 10.161 0.427 -0.632 1.00 0.00 N ATOM 339 CA VAL A 24 10.475 1.868 -0.876 1.00 0.00 C ATOM 340 C VAL A 24 11.866 2.132 -0.330 1.00 0.00 C ATOM 341 O VAL A 24 12.643 2.832 -0.940 1.00 0.00 O ATOM 342 CB VAL A 24 9.494 2.798 -0.160 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.857 4.257 -0.481 1.00 0.00 C ATOM 344 CG2 VAL A 24 8.063 2.506 -0.623 1.00 0.00 C ATOM 0 H VAL A 24 9.453 0.248 0.080 1.00 0.00 H new ATOM 0 HA VAL A 24 10.405 2.064 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 24 9.556 2.633 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.161 4.925 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.872 4.463 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.796 4.419 -1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.371 3.173 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.989 2.666 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.810 1.471 -0.392 1.00 0.00 H new ATOM 354 N SER A 25 12.168 1.590 0.831 1.00 0.00 N ATOM 355 CA SER A 25 13.519 1.823 1.445 1.00 0.00 C ATOM 356 C SER A 25 14.639 1.391 0.476 1.00 0.00 C ATOM 357 O SER A 25 15.632 2.085 0.324 1.00 0.00 O ATOM 358 CB SER A 25 13.647 1.028 2.745 1.00 0.00 C ATOM 359 OG SER A 25 12.419 1.086 3.459 1.00 0.00 O ATOM 0 H SER A 25 11.541 1.000 1.377 1.00 0.00 H new ATOM 0 HA SER A 25 13.619 2.888 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.904 -0.008 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.454 1.435 3.355 1.00 0.00 H new ATOM 0 HG SER A 25 12.418 0.405 4.164 1.00 0.00 H new ATOM 365 N THR A 26 14.487 0.238 -0.150 1.00 0.00 N ATOM 366 CA THR A 26 15.542 -0.299 -1.088 1.00 0.00 C ATOM 367 C THR A 26 15.530 0.430 -2.445 1.00 0.00 C ATOM 368 O THR A 26 16.560 0.875 -2.917 1.00 0.00 O ATOM 369 CB THR A 26 15.285 -1.813 -1.284 1.00 0.00 C ATOM 370 OG1 THR A 26 15.588 -2.491 -0.076 1.00 0.00 O ATOM 371 CG2 THR A 26 16.153 -2.395 -2.414 1.00 0.00 C ATOM 0 H THR A 26 13.667 -0.361 -0.050 1.00 0.00 H new ATOM 0 HA THR A 26 16.527 -0.131 -0.652 1.00 0.00 H new ATOM 0 HB THR A 26 14.238 -1.948 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 26 16.150 -1.919 0.488 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.945 -3.459 -2.521 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.923 -1.884 -3.349 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.207 -2.254 -2.173 1.00 0.00 H new ATOM 379 N ARG A 27 14.391 0.511 -3.078 1.00 0.00 N ATOM 380 CA ARG A 27 14.288 1.166 -4.419 1.00 0.00 C ATOM 381 C ARG A 27 14.680 2.642 -4.332 1.00 0.00 C ATOM 382 O ARG A 27 15.061 3.239 -5.326 1.00 0.00 O ATOM 383 CB ARG A 27 12.849 1.047 -4.927 1.00 0.00 C ATOM 384 CG ARG A 27 12.793 1.430 -6.410 1.00 0.00 C ATOM 385 CD ARG A 27 12.828 0.168 -7.278 1.00 0.00 C ATOM 386 NE ARG A 27 14.147 0.074 -7.964 1.00 0.00 N ATOM 387 CZ ARG A 27 14.325 -0.800 -8.917 1.00 0.00 C ATOM 388 NH1 ARG A 27 14.171 -2.072 -8.672 1.00 0.00 N ATOM 389 NH2 ARG A 27 14.658 -0.401 -10.114 1.00 0.00 N ATOM 0 H ARG A 27 13.510 0.145 -2.717 1.00 0.00 H new ATOM 0 HA ARG A 27 14.970 0.668 -5.108 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.488 0.028 -4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.193 1.698 -4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.884 1.997 -6.614 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.634 2.076 -6.659 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.663 -0.715 -6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.024 0.197 -8.014 1.00 0.00 H new ATOM 0 HE ARG A 27 14.910 0.692 -7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.912 -2.383 -7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.310 -2.755 -9.416 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.779 0.594 -10.305 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.797 -1.084 -10.859 1.00 0.00 H new ATOM 403 N THR A 28 14.549 3.239 -3.165 1.00 0.00 N ATOM 404 CA THR A 28 14.867 4.694 -3.011 1.00 0.00 C ATOM 405 C THR A 28 16.302 4.922 -2.481 1.00 0.00 C ATOM 406 O THR A 28 17.115 5.507 -3.178 1.00 0.00 O ATOM 407 CB THR A 28 13.826 5.348 -2.078 1.00 0.00 C ATOM 408 OG1 THR A 28 13.979 4.869 -0.754 1.00 0.00 O ATOM 409 CG2 THR A 28 12.417 5.024 -2.581 1.00 0.00 C ATOM 0 H THR A 28 14.234 2.776 -2.312 1.00 0.00 H new ATOM 0 HA THR A 28 14.819 5.161 -3.995 1.00 0.00 H new ATOM 0 HB THR A 28 13.979 6.427 -2.080 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.211 4.308 -0.518 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.681 5.485 -1.923 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.293 5.412 -3.592 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.272 3.944 -2.587 1.00 0.00 H new ATOM 417 N CYS A 29 16.618 4.496 -1.263 1.00 0.00 N ATOM 418 CA CYS A 29 18.003 4.729 -0.705 1.00 0.00 C ATOM 419 C CYS A 29 18.864 3.467 -0.797 1.00 0.00 C ATOM 420 O CYS A 29 19.926 3.399 -0.197 1.00 0.00 O ATOM 421 CB CYS A 29 17.913 5.142 0.765 1.00 0.00 C ATOM 422 SG CYS A 29 16.509 6.250 1.028 1.00 0.00 S ATOM 0 H CYS A 29 15.980 4.002 -0.639 1.00 0.00 H new ATOM 0 HA CYS A 29 18.463 5.519 -1.298 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.807 4.256 1.392 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.836 5.637 1.067 1.00 0.00 H new ATOM 427 N GLY A 30 18.408 2.473 -1.508 1.00 0.00 N ATOM 428 CA GLY A 30 19.178 1.189 -1.609 1.00 0.00 C ATOM 429 C GLY A 30 19.304 0.554 -0.206 1.00 0.00 C ATOM 430 O GLY A 30 20.150 -0.295 0.018 1.00 0.00 O ATOM 0 H GLY A 30 17.531 2.490 -2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.673 0.502 -2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.168 1.377 -2.025 1.00 0.00 H new ATOM 434 N VAL A 31 18.460 0.964 0.735 1.00 0.00 N ATOM 435 CA VAL A 31 18.504 0.403 2.131 1.00 0.00 C ATOM 436 C VAL A 31 17.361 -0.607 2.303 1.00 0.00 C ATOM 437 O VAL A 31 16.438 -0.639 1.508 1.00 0.00 O ATOM 438 CB VAL A 31 18.331 1.543 3.144 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.460 0.999 4.568 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.410 2.601 2.913 1.00 0.00 C ATOM 0 H VAL A 31 17.739 1.670 0.586 1.00 0.00 H new ATOM 0 HA VAL A 31 19.461 -0.091 2.299 1.00 0.00 H new ATOM 0 HB VAL A 31 17.344 1.987 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.336 1.814 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.692 0.246 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.444 0.550 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.286 3.410 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.394 2.150 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.320 2.998 1.902 1.00 0.00 H new ATOM 450 N GLY A 32 17.424 -1.433 3.331 1.00 0.00 N ATOM 451 CA GLY A 32 16.350 -2.455 3.555 1.00 0.00 C ATOM 452 C GLY A 32 17.007 -3.839 3.780 1.00 0.00 C ATOM 453 O GLY A 32 18.225 -3.922 3.723 1.00 0.00 O ATOM 0 H GLY A 32 18.175 -1.440 4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.745 -2.181 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.681 -2.492 2.696 1.00 0.00 H new ATOM 457 N PRO A 33 16.223 -4.908 4.013 1.00 0.00 N ATOM 458 CA PRO A 33 16.820 -6.254 4.214 1.00 0.00 C ATOM 459 C PRO A 33 17.517 -6.715 2.923 1.00 0.00 C ATOM 460 O PRO A 33 17.441 -6.037 1.907 1.00 0.00 O ATOM 461 CB PRO A 33 15.628 -7.137 4.618 1.00 0.00 C ATOM 462 CG PRO A 33 14.364 -6.408 4.132 1.00 0.00 C ATOM 463 CD PRO A 33 14.723 -4.913 4.086 1.00 0.00 C ATOM 0 HA PRO A 33 17.597 -6.288 4.978 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.705 -8.125 4.164 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.601 -7.283 5.698 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.062 -6.766 3.148 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.527 -6.587 4.807 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.279 -4.421 3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.364 -4.388 4.971 1.00 0.00 H new ATOM 471 N ARG A 34 18.224 -7.832 2.963 1.00 0.00 N ATOM 472 CA ARG A 34 18.966 -8.309 1.753 1.00 0.00 C ATOM 473 C ARG A 34 18.095 -9.279 0.947 1.00 0.00 C ATOM 474 O ARG A 34 18.187 -10.492 1.074 1.00 0.00 O ATOM 475 CB ARG A 34 20.269 -8.998 2.194 1.00 0.00 C ATOM 476 CG ARG A 34 21.435 -8.493 1.338 1.00 0.00 C ATOM 477 CD ARG A 34 22.751 -8.694 2.093 1.00 0.00 C ATOM 478 NE ARG A 34 23.868 -8.825 1.116 1.00 0.00 N ATOM 479 CZ ARG A 34 24.719 -7.847 0.962 1.00 0.00 C ATOM 480 NH1 ARG A 34 25.798 -7.798 1.694 1.00 0.00 N ATOM 481 NH2 ARG A 34 24.489 -6.916 0.076 1.00 0.00 N ATOM 0 H ARG A 34 18.315 -8.429 3.785 1.00 0.00 H new ATOM 0 HA ARG A 34 19.208 -7.457 1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 34 20.462 -8.792 3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 34 20.172 -10.079 2.093 1.00 0.00 H new ATOM 0 HG2 ARG A 34 21.462 -9.030 0.390 1.00 0.00 H new ATOM 0 HG3 ARG A 34 21.296 -7.438 1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 34 22.933 -7.851 2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 34 22.692 -9.586 2.717 1.00 0.00 H new ATOM 0 HE ARG A 34 23.968 -9.679 0.567 1.00 0.00 H new ATOM 0 HH11 ARG A 34 25.977 -8.524 2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 34 26.462 -7.033 1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 34 23.645 -6.953 -0.495 1.00 0.00 H new ATOM 0 HH22 ARG A 34 25.153 -6.152 -0.045 1.00 0.00 H new ATOM 495 N LEU A 35 17.259 -8.720 0.105 1.00 0.00 N ATOM 496 CA LEU A 35 16.356 -9.532 -0.765 1.00 0.00 C ATOM 497 C LEU A 35 16.290 -8.866 -2.140 1.00 0.00 C ATOM 498 O LEU A 35 16.342 -7.650 -2.240 1.00 0.00 O ATOM 499 CB LEU A 35 14.958 -9.585 -0.145 1.00 0.00 C ATOM 500 CG LEU A 35 15.051 -10.157 1.272 1.00 0.00 C ATOM 501 CD1 LEU A 35 13.685 -10.053 1.953 1.00 0.00 C ATOM 502 CD2 LEU A 35 15.493 -11.629 1.211 1.00 0.00 C ATOM 0 H LEU A 35 17.164 -7.712 -0.017 1.00 0.00 H new ATOM 0 HA LEU A 35 16.735 -10.549 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.522 -8.586 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.300 -10.203 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 35 15.785 -9.590 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.750 -10.460 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.382 -9.007 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.949 -10.618 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.558 -12.032 2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.766 -12.204 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 35 16.469 -11.696 0.730 1.00 0.00 H new ATOM 514 N ALA A 36 16.190 -9.650 -3.194 1.00 0.00 N ATOM 515 CA ALA A 36 16.137 -9.075 -4.577 1.00 0.00 C ATOM 516 C ALA A 36 14.942 -8.115 -4.693 1.00 0.00 C ATOM 517 O ALA A 36 14.045 -8.136 -3.866 1.00 0.00 O ATOM 518 CB ALA A 36 15.995 -10.209 -5.596 1.00 0.00 C ATOM 0 H ALA A 36 16.143 -10.668 -3.152 1.00 0.00 H new ATOM 0 HA ALA A 36 17.056 -8.525 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.956 -9.791 -6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.850 -10.881 -5.514 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.078 -10.763 -5.398 1.00 0.00 H new ATOM 524 N THR A 37 14.938 -7.271 -5.708 1.00 0.00 N ATOM 525 CA THR A 37 13.820 -6.288 -5.895 1.00 0.00 C ATOM 526 C THR A 37 12.608 -6.972 -6.520 1.00 0.00 C ATOM 527 O THR A 37 11.534 -6.913 -5.972 1.00 0.00 O ATOM 528 CB THR A 37 14.269 -5.129 -6.803 1.00 0.00 C ATOM 529 OG1 THR A 37 15.296 -5.562 -7.690 1.00 0.00 O ATOM 530 CG2 THR A 37 14.789 -3.979 -5.940 1.00 0.00 C ATOM 0 H THR A 37 15.669 -7.224 -6.418 1.00 0.00 H new ATOM 0 HA THR A 37 13.549 -5.895 -4.915 1.00 0.00 H new ATOM 0 HB THR A 37 13.416 -4.791 -7.392 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.570 -4.815 -8.262 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.107 -3.158 -6.582 1.00 0.00 H new ATOM 0 HG22 THR A 37 13.996 -3.635 -5.276 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.635 -4.324 -5.346 1.00 0.00 H new ATOM 538 N GLN A 38 12.770 -7.598 -7.664 1.00 0.00 N ATOM 539 CA GLN A 38 11.609 -8.274 -8.350 1.00 0.00 C ATOM 540 C GLN A 38 10.855 -9.193 -7.371 1.00 0.00 C ATOM 541 O GLN A 38 9.647 -9.348 -7.469 1.00 0.00 O ATOM 542 CB GLN A 38 12.133 -9.099 -9.539 1.00 0.00 C ATOM 543 CG GLN A 38 11.556 -8.558 -10.859 1.00 0.00 C ATOM 544 CD GLN A 38 12.630 -7.792 -11.658 1.00 0.00 C ATOM 545 OE1 GLN A 38 13.792 -7.752 -11.290 1.00 0.00 O ATOM 546 NE2 GLN A 38 12.283 -7.178 -12.756 1.00 0.00 N ATOM 0 H GLN A 38 13.659 -7.672 -8.158 1.00 0.00 H new ATOM 0 HA GLN A 38 10.917 -7.510 -8.705 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.222 -9.059 -9.567 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.856 -10.146 -9.415 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.172 -9.384 -11.458 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.714 -7.898 -10.649 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.313 -7.206 -13.071 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.981 -6.670 -13.299 1.00 0.00 H new ATOM 555 N GLU A 39 11.563 -9.797 -6.442 1.00 0.00 N ATOM 556 CA GLU A 39 10.918 -10.718 -5.451 1.00 0.00 C ATOM 557 C GLU A 39 10.073 -9.914 -4.455 1.00 0.00 C ATOM 558 O GLU A 39 8.984 -10.328 -4.084 1.00 0.00 O ATOM 559 CB GLU A 39 12.006 -11.485 -4.698 1.00 0.00 C ATOM 560 CG GLU A 39 12.899 -12.230 -5.698 1.00 0.00 C ATOM 561 CD GLU A 39 12.529 -13.715 -5.710 1.00 0.00 C ATOM 562 OE1 GLU A 39 11.363 -14.014 -5.908 1.00 0.00 O ATOM 563 OE2 GLU A 39 13.418 -14.527 -5.516 1.00 0.00 O ATOM 0 H GLU A 39 12.571 -9.689 -6.328 1.00 0.00 H new ATOM 0 HA GLU A 39 10.269 -11.417 -5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.606 -10.795 -4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.552 -12.192 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.777 -11.807 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.947 -12.108 -5.426 1.00 0.00 H new ATOM 570 N MET A 40 10.571 -8.771 -4.034 1.00 0.00 N ATOM 571 CA MET A 40 9.830 -7.909 -3.071 1.00 0.00 C ATOM 572 C MET A 40 8.559 -7.408 -3.747 1.00 0.00 C ATOM 573 O MET A 40 7.461 -7.561 -3.236 1.00 0.00 O ATOM 574 CB MET A 40 10.727 -6.737 -2.713 1.00 0.00 C ATOM 575 CG MET A 40 10.264 -6.106 -1.398 1.00 0.00 C ATOM 576 SD MET A 40 11.663 -5.281 -0.599 1.00 0.00 S ATOM 577 CE MET A 40 11.372 -5.914 1.071 1.00 0.00 C ATOM 0 H MET A 40 11.475 -8.399 -4.326 1.00 0.00 H new ATOM 0 HA MET A 40 9.562 -8.460 -2.169 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.760 -7.074 -2.621 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.704 -5.994 -3.510 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.465 -5.389 -1.588 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.855 -6.872 -0.739 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.164 -5.568 1.735 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.410 -5.552 1.435 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.366 -7.004 1.051 1.00 0.00 H new ATOM 587 N LYS A 41 8.721 -6.823 -4.911 1.00 0.00 N ATOM 588 CA LYS A 41 7.548 -6.307 -5.699 1.00 0.00 C ATOM 589 C LYS A 41 6.527 -7.444 -5.873 1.00 0.00 C ATOM 590 O LYS A 41 5.327 -7.225 -5.805 1.00 0.00 O ATOM 591 CB LYS A 41 8.028 -5.819 -7.079 1.00 0.00 C ATOM 592 CG LYS A 41 6.832 -5.368 -7.931 1.00 0.00 C ATOM 593 CD LYS A 41 7.231 -4.159 -8.784 1.00 0.00 C ATOM 594 CE LYS A 41 6.282 -4.037 -9.981 1.00 0.00 C ATOM 595 NZ LYS A 41 6.934 -4.611 -11.193 1.00 0.00 N ATOM 0 H LYS A 41 9.627 -6.678 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 41 7.083 -5.474 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.728 -4.993 -6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.565 -6.619 -7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.502 -6.185 -8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.992 -5.109 -7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.194 -3.250 -8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.258 -4.270 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.349 -4.561 -9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.028 -2.991 -10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.290 -4.528 -12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.813 -4.092 -11.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.155 -5.614 -11.027 1.00 0.00 H new ATOM 609 N ALA A 42 7.013 -8.655 -6.080 1.00 0.00 N ATOM 610 CA ALA A 42 6.103 -9.831 -6.243 1.00 0.00 C ATOM 611 C ALA A 42 5.300 -10.011 -4.954 1.00 0.00 C ATOM 612 O ALA A 42 4.111 -10.289 -4.986 1.00 0.00 O ATOM 613 CB ALA A 42 6.932 -11.089 -6.512 1.00 0.00 C ATOM 0 H ALA A 42 8.008 -8.873 -6.142 1.00 0.00 H new ATOM 0 HA ALA A 42 5.427 -9.665 -7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.267 -11.945 -6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.514 -10.953 -7.423 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.606 -11.267 -5.674 1.00 0.00 H new ATOM 619 N ARG A 43 5.956 -9.841 -3.824 1.00 0.00 N ATOM 620 CA ARG A 43 5.269 -9.982 -2.503 1.00 0.00 C ATOM 621 C ARG A 43 4.133 -8.956 -2.401 1.00 0.00 C ATOM 622 O ARG A 43 3.035 -9.288 -1.976 1.00 0.00 O ATOM 623 CB ARG A 43 6.277 -9.753 -1.373 1.00 0.00 C ATOM 624 CG ARG A 43 6.787 -11.101 -0.859 1.00 0.00 C ATOM 625 CD ARG A 43 7.882 -11.622 -1.791 1.00 0.00 C ATOM 626 NE ARG A 43 8.391 -12.925 -1.279 1.00 0.00 N ATOM 627 CZ ARG A 43 9.625 -13.027 -0.867 1.00 0.00 C ATOM 628 NH1 ARG A 43 10.145 -12.089 -0.124 1.00 0.00 N ATOM 629 NH2 ARG A 43 10.339 -14.069 -1.197 1.00 0.00 N ATOM 0 H ARG A 43 6.947 -9.608 -3.766 1.00 0.00 H new ATOM 0 HA ARG A 43 4.854 -10.986 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.111 -9.150 -1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.808 -9.197 -0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.177 -10.992 0.153 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.967 -11.817 -0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.488 -11.744 -2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.696 -10.900 -1.852 1.00 0.00 H new ATOM 0 HE ARG A 43 7.775 -13.737 -1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.587 -11.275 0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.110 -12.169 0.198 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.932 -14.803 -1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.304 -14.149 -0.875 1.00 0.00 H new ATOM 643 N CYS A 44 4.387 -7.717 -2.795 1.00 0.00 N ATOM 644 CA CYS A 44 3.319 -6.663 -2.728 1.00 0.00 C ATOM 645 C CYS A 44 2.150 -7.020 -3.650 1.00 0.00 C ATOM 646 O CYS A 44 1.008 -6.744 -3.325 1.00 0.00 O ATOM 647 CB CYS A 44 3.856 -5.306 -3.153 1.00 0.00 C ATOM 648 SG CYS A 44 4.683 -4.537 -1.750 1.00 0.00 S ATOM 0 H CYS A 44 5.285 -7.398 -3.157 1.00 0.00 H new ATOM 0 HA CYS A 44 2.983 -6.616 -1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.552 -5.420 -3.984 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.042 -4.672 -3.504 1.00 0.00 H new ATOM 653 N CYS A 45 2.425 -7.620 -4.801 1.00 0.00 N ATOM 654 CA CYS A 45 1.322 -7.984 -5.752 1.00 0.00 C ATOM 655 C CYS A 45 0.508 -9.136 -5.162 1.00 0.00 C ATOM 656 O CYS A 45 -0.685 -9.248 -5.411 1.00 0.00 O ATOM 657 CB CYS A 45 1.904 -8.396 -7.114 1.00 0.00 C ATOM 658 SG CYS A 45 2.570 -6.958 -8.018 1.00 0.00 S ATOM 0 H CYS A 45 3.363 -7.869 -5.114 1.00 0.00 H new ATOM 0 HA CYS A 45 0.676 -7.118 -5.900 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.694 -9.132 -6.966 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.129 -8.876 -7.712 1.00 0.00 H new ATOM 663 N ARG A 46 1.141 -9.980 -4.370 1.00 0.00 N ATOM 664 CA ARG A 46 0.417 -11.125 -3.737 1.00 0.00 C ATOM 665 C ARG A 46 -0.466 -10.583 -2.616 1.00 0.00 C ATOM 666 O ARG A 46 -1.533 -11.114 -2.343 1.00 0.00 O ATOM 667 CB ARG A 46 1.429 -12.107 -3.152 1.00 0.00 C ATOM 668 CG ARG A 46 0.783 -13.489 -3.002 1.00 0.00 C ATOM 669 CD ARG A 46 1.768 -14.570 -3.453 1.00 0.00 C ATOM 670 NE ARG A 46 1.019 -15.812 -3.802 1.00 0.00 N ATOM 671 CZ ARG A 46 0.350 -16.452 -2.882 1.00 0.00 C ATOM 672 NH1 ARG A 46 0.934 -17.384 -2.178 1.00 0.00 N ATOM 673 NH2 ARG A 46 -0.905 -16.161 -2.665 1.00 0.00 N ATOM 0 H ARG A 46 2.132 -9.919 -4.138 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.193 -11.637 -4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.303 -12.172 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.777 -11.751 -2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.495 -13.656 -1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.128 -13.542 -3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.337 -14.222 -4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.486 -14.777 -2.659 1.00 0.00 H new ATOM 0 HE ARG A 46 1.030 -16.161 -4.760 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.914 -17.612 -2.347 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.410 -17.884 -1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.362 -15.434 -3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.428 -16.661 -1.946 1.00 0.00 H new ATOM 687 N GLN A 47 -0.017 -9.524 -1.970 1.00 0.00 N ATOM 688 CA GLN A 47 -0.807 -8.914 -0.855 1.00 0.00 C ATOM 689 C GLN A 47 -1.970 -8.102 -1.428 1.00 0.00 C ATOM 690 O GLN A 47 -3.007 -7.969 -0.798 1.00 0.00 O ATOM 691 CB GLN A 47 0.099 -7.994 -0.033 1.00 0.00 C ATOM 692 CG GLN A 47 1.322 -8.776 0.473 1.00 0.00 C ATOM 693 CD GLN A 47 1.352 -8.763 2.004 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.334 -8.935 2.646 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.485 -8.564 2.619 1.00 0.00 N ATOM 0 H GLN A 47 0.868 -9.058 -2.172 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.200 -9.706 -0.218 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.423 -7.150 -0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.455 -7.584 0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.283 -9.803 0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.237 -8.333 0.079 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.339 -8.420 2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.517 -8.553 3.638 1.00 0.00 H new ATOM 704 N LEU A 48 -1.798 -7.562 -2.616 1.00 0.00 N ATOM 705 CA LEU A 48 -2.873 -6.750 -3.261 1.00 0.00 C ATOM 706 C LEU A 48 -3.950 -7.681 -3.813 1.00 0.00 C ATOM 707 O LEU A 48 -5.130 -7.369 -3.760 1.00 0.00 O ATOM 708 CB LEU A 48 -2.273 -5.926 -4.402 1.00 0.00 C ATOM 709 CG LEU A 48 -3.233 -4.784 -4.780 1.00 0.00 C ATOM 710 CD1 LEU A 48 -2.498 -3.442 -4.692 1.00 0.00 C ATOM 711 CD2 LEU A 48 -3.746 -4.992 -6.212 1.00 0.00 C ATOM 0 H LEU A 48 -0.946 -7.654 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.316 -6.080 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.308 -5.518 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.093 -6.563 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.076 -4.782 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.180 -2.635 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.139 -3.290 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.652 -3.445 -5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.425 -4.182 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.903 -4.999 -6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.274 -5.943 -6.275 1.00 0.00 H new ATOM 723 N GLU A 49 -3.549 -8.824 -4.334 1.00 0.00 N ATOM 724 CA GLU A 49 -4.536 -9.798 -4.887 1.00 0.00 C ATOM 725 C GLU A 49 -5.271 -10.465 -3.725 1.00 0.00 C ATOM 726 O GLU A 49 -6.461 -10.723 -3.808 1.00 0.00 O ATOM 727 CB GLU A 49 -3.809 -10.854 -5.723 1.00 0.00 C ATOM 728 CG GLU A 49 -3.797 -10.421 -7.192 1.00 0.00 C ATOM 729 CD GLU A 49 -3.886 -11.657 -8.088 1.00 0.00 C ATOM 730 OE1 GLU A 49 -2.939 -12.427 -8.098 1.00 0.00 O ATOM 731 OE2 GLU A 49 -4.899 -11.812 -8.751 1.00 0.00 O ATOM 0 H GLU A 49 -2.575 -9.119 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.252 -9.280 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.789 -10.980 -5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.305 -11.819 -5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.634 -9.752 -7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.886 -9.865 -7.411 1.00 0.00 H new ATOM 738 N ALA A 50 -4.572 -10.716 -2.629 1.00 0.00 N ATOM 739 CA ALA A 50 -5.224 -11.334 -1.429 1.00 0.00 C ATOM 740 C ALA A 50 -6.293 -10.357 -0.939 1.00 0.00 C ATOM 741 O ALA A 50 -7.453 -10.702 -0.821 1.00 0.00 O ATOM 742 CB ALA A 50 -4.180 -11.566 -0.334 1.00 0.00 C ATOM 0 H ALA A 50 -3.578 -10.517 -2.521 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.671 -12.296 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.659 -12.015 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.404 -12.235 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.732 -10.613 -0.050 1.00 0.00 H new ATOM 748 N ILE A 51 -5.889 -9.126 -0.720 1.00 0.00 N ATOM 749 CA ILE A 51 -6.836 -8.045 -0.303 1.00 0.00 C ATOM 750 C ILE A 51 -7.838 -7.849 -1.460 1.00 0.00 C ATOM 751 O ILE A 51 -7.448 -7.329 -2.492 1.00 0.00 O ATOM 752 CB ILE A 51 -6.053 -6.749 -0.044 1.00 0.00 C ATOM 753 CG1 ILE A 51 -5.093 -6.962 1.139 1.00 0.00 C ATOM 754 CG2 ILE A 51 -7.019 -5.598 0.282 1.00 0.00 C ATOM 755 CD1 ILE A 51 -5.878 -7.303 2.415 1.00 0.00 C ATOM 0 H ILE A 51 -4.920 -8.821 -0.816 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.362 -8.310 0.614 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.487 -6.492 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.395 -7.767 0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.499 -6.062 1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.450 -4.686 0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.696 -5.442 -0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.596 -5.849 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.183 -7.450 3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.557 -6.485 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.452 -8.216 2.256 1.00 0.00 H new ATOM 767 N PRO A 52 -9.076 -8.315 -1.304 1.00 0.00 N ATOM 768 CA PRO A 52 -10.076 -8.237 -2.391 1.00 0.00 C ATOM 769 C PRO A 52 -10.314 -6.787 -2.811 1.00 0.00 C ATOM 770 O PRO A 52 -10.161 -5.870 -2.023 1.00 0.00 O ATOM 771 CB PRO A 52 -11.322 -8.912 -1.804 1.00 0.00 C ATOM 772 CG PRO A 52 -11.141 -8.888 -0.275 1.00 0.00 C ATOM 773 CD PRO A 52 -9.620 -8.876 -0.039 1.00 0.00 C ATOM 0 HA PRO A 52 -9.758 -8.733 -3.308 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.228 -8.381 -2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.420 -9.934 -2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.613 -8.008 0.162 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.603 -9.760 0.188 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.352 -8.261 0.820 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.236 -9.878 0.154 1.00 0.00 H new ATOM 781 N ALA A 53 -10.650 -6.593 -4.074 1.00 0.00 N ATOM 782 CA ALA A 53 -10.879 -5.221 -4.649 1.00 0.00 C ATOM 783 C ALA A 53 -11.636 -4.321 -3.670 1.00 0.00 C ATOM 784 O ALA A 53 -11.408 -3.122 -3.630 1.00 0.00 O ATOM 785 CB ALA A 53 -11.669 -5.356 -5.948 1.00 0.00 C ATOM 0 H ALA A 53 -10.778 -7.350 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.911 -4.758 -4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.841 -4.367 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.104 -5.963 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.627 -5.834 -5.743 1.00 0.00 H new ATOM 791 N TYR A 54 -12.506 -4.896 -2.867 1.00 0.00 N ATOM 792 CA TYR A 54 -13.254 -4.086 -1.859 1.00 0.00 C ATOM 793 C TYR A 54 -12.269 -3.727 -0.747 1.00 0.00 C ATOM 794 O TYR A 54 -11.670 -4.602 -0.144 1.00 0.00 O ATOM 795 CB TYR A 54 -14.425 -4.904 -1.293 1.00 0.00 C ATOM 796 CG TYR A 54 -15.735 -4.323 -1.778 1.00 0.00 C ATOM 797 CD1 TYR A 54 -16.028 -2.972 -1.549 1.00 0.00 C ATOM 798 CD2 TYR A 54 -16.655 -5.133 -2.457 1.00 0.00 C ATOM 799 CE1 TYR A 54 -17.239 -2.432 -1.999 1.00 0.00 C ATOM 800 CE2 TYR A 54 -17.865 -4.592 -2.906 1.00 0.00 C ATOM 801 CZ TYR A 54 -18.158 -3.242 -2.678 1.00 0.00 C ATOM 802 OH TYR A 54 -19.352 -2.711 -3.119 1.00 0.00 O ATOM 0 H TYR A 54 -12.727 -5.892 -2.870 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.666 -3.184 -2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -14.339 -5.944 -1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.394 -4.896 -0.203 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -15.320 -2.347 -1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -16.430 -6.174 -2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -17.464 -1.391 -1.822 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -18.574 -5.217 -3.429 1.00 0.00 H new ATOM 0 HH TYR A 54 -19.873 -3.407 -3.571 1.00 0.00 H new ATOM 812 N CYS A 55 -12.079 -2.448 -0.498 1.00 0.00 N ATOM 813 CA CYS A 55 -11.110 -1.986 0.557 1.00 0.00 C ATOM 814 C CYS A 55 -9.658 -2.194 0.076 1.00 0.00 C ATOM 815 O CYS A 55 -8.731 -1.987 0.841 1.00 0.00 O ATOM 816 CB CYS A 55 -11.321 -2.759 1.869 1.00 0.00 C ATOM 817 SG CYS A 55 -13.087 -2.817 2.266 1.00 0.00 S ATOM 0 H CYS A 55 -12.561 -1.694 -0.988 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.289 -0.926 0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.926 -3.771 1.774 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.772 -2.278 2.678 1.00 0.00 H new ATOM 822 N ARG A 56 -9.442 -2.600 -1.181 1.00 0.00 N ATOM 823 CA ARG A 56 -8.037 -2.813 -1.699 1.00 0.00 C ATOM 824 C ARG A 56 -7.165 -1.581 -1.362 1.00 0.00 C ATOM 825 O ARG A 56 -6.506 -1.572 -0.341 1.00 0.00 O ATOM 826 CB ARG A 56 -8.073 -3.044 -3.224 1.00 0.00 C ATOM 827 CG ARG A 56 -7.694 -4.495 -3.548 1.00 0.00 C ATOM 828 CD ARG A 56 -7.158 -4.576 -4.983 1.00 0.00 C ATOM 829 NE ARG A 56 -7.468 -5.914 -5.568 1.00 0.00 N ATOM 830 CZ ARG A 56 -7.788 -6.020 -6.829 1.00 0.00 C ATOM 831 NH1 ARG A 56 -8.764 -5.304 -7.318 1.00 0.00 N ATOM 832 NH2 ARG A 56 -7.133 -6.843 -7.601 1.00 0.00 N ATOM 0 H ARG A 56 -10.180 -2.789 -1.859 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.604 -3.692 -1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.069 -2.826 -3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.383 -2.361 -3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.939 -4.850 -2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.564 -5.143 -3.436 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.606 -3.791 -5.592 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.081 -4.408 -4.988 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.430 -6.747 -4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.277 -4.661 -6.715 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.014 -5.387 -8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.371 -7.403 -7.219 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.383 -6.926 -8.586 1.00 0.00 H new ATOM 846 N CYS A 57 -7.153 -0.558 -2.215 1.00 0.00 N ATOM 847 CA CYS A 57 -6.321 0.687 -1.959 1.00 0.00 C ATOM 848 C CYS A 57 -6.259 1.086 -0.458 1.00 0.00 C ATOM 849 O CYS A 57 -5.197 1.444 0.018 1.00 0.00 O ATOM 850 CB CYS A 57 -6.903 1.852 -2.773 1.00 0.00 C ATOM 851 SG CYS A 57 -6.856 1.439 -4.540 1.00 0.00 S ATOM 0 H CYS A 57 -7.689 -0.535 -3.083 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.300 0.462 -2.267 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.929 2.050 -2.462 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.332 2.761 -2.586 1.00 0.00 H new ATOM 856 N GLU A 58 -7.373 1.051 0.280 1.00 0.00 N ATOM 857 CA GLU A 58 -7.379 1.441 1.740 1.00 0.00 C ATOM 858 C GLU A 58 -6.119 0.948 2.484 1.00 0.00 C ATOM 859 O GLU A 58 -5.509 1.715 3.196 1.00 0.00 O ATOM 860 CB GLU A 58 -8.628 0.855 2.408 1.00 0.00 C ATOM 861 CG GLU A 58 -9.728 1.918 2.460 1.00 0.00 C ATOM 862 CD GLU A 58 -10.994 1.316 3.071 1.00 0.00 C ATOM 863 OE1 GLU A 58 -11.078 1.277 4.288 1.00 0.00 O ATOM 864 OE2 GLU A 58 -11.857 0.904 2.313 1.00 0.00 O ATOM 0 H GLU A 58 -8.283 0.764 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.385 2.530 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.976 -0.016 1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.389 0.515 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.396 2.771 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.937 2.289 1.457 1.00 0.00 H new ATOM 871 N ALA A 59 -5.741 -0.319 2.334 1.00 0.00 N ATOM 872 CA ALA A 59 -4.517 -0.876 3.037 1.00 0.00 C ATOM 873 C ALA A 59 -3.343 0.118 2.999 1.00 0.00 C ATOM 874 O ALA A 59 -2.738 0.423 4.026 1.00 0.00 O ATOM 875 CB ALA A 59 -4.093 -2.180 2.356 1.00 0.00 C ATOM 0 H ALA A 59 -6.234 -0.994 1.749 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.778 -1.056 4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.214 -2.584 2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.907 -2.902 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.856 -1.984 1.310 1.00 0.00 H new ATOM 881 N VAL A 60 -3.030 0.626 1.828 1.00 0.00 N ATOM 882 CA VAL A 60 -1.914 1.617 1.691 1.00 0.00 C ATOM 883 C VAL A 60 -2.216 2.824 2.586 1.00 0.00 C ATOM 884 O VAL A 60 -1.356 3.299 3.304 1.00 0.00 O ATOM 885 CB VAL A 60 -1.803 2.068 0.233 1.00 0.00 C ATOM 886 CG1 VAL A 60 -0.574 2.967 0.072 1.00 0.00 C ATOM 887 CG2 VAL A 60 -1.659 0.839 -0.671 1.00 0.00 C ATOM 0 H VAL A 60 -3.504 0.394 0.955 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.971 1.160 1.992 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.699 2.622 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.493 3.290 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.675 3.840 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.322 2.412 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.580 1.159 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.762 0.285 -0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.532 0.197 -0.554 1.00 0.00 H new ATOM 897 N ARG A 61 -3.445 3.300 2.548 1.00 0.00 N ATOM 898 CA ARG A 61 -3.862 4.464 3.395 1.00 0.00 C ATOM 899 C ARG A 61 -3.645 4.129 4.878 1.00 0.00 C ATOM 900 O ARG A 61 -3.435 5.008 5.685 1.00 0.00 O ATOM 901 CB ARG A 61 -5.349 4.753 3.152 1.00 0.00 C ATOM 902 CG ARG A 61 -5.756 6.048 3.871 1.00 0.00 C ATOM 903 CD ARG A 61 -6.063 7.137 2.838 1.00 0.00 C ATOM 904 NE ARG A 61 -6.503 8.376 3.536 1.00 0.00 N ATOM 905 CZ ARG A 61 -5.762 9.449 3.490 1.00 0.00 C ATOM 906 NH1 ARG A 61 -5.234 9.829 2.358 1.00 0.00 N ATOM 907 NH2 ARG A 61 -5.546 10.141 4.574 1.00 0.00 N ATOM 0 H ARG A 61 -4.185 2.923 1.956 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.266 5.338 3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.540 4.845 2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.954 3.921 3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.631 5.869 4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.954 6.376 4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.178 7.341 2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.841 6.796 2.155 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.384 8.386 4.050 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.401 9.287 1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.655 10.668 2.322 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.956 9.844 5.459 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.967 10.980 4.537 1.00 0.00 H new ATOM 921 N ILE A 62 -3.704 2.863 5.229 1.00 0.00 N ATOM 922 CA ILE A 62 -3.503 2.433 6.652 1.00 0.00 C ATOM 923 C ILE A 62 -2.013 2.435 6.989 1.00 0.00 C ATOM 924 O ILE A 62 -1.648 2.646 8.135 1.00 0.00 O ATOM 925 CB ILE A 62 -4.115 1.021 6.843 1.00 0.00 C ATOM 926 CG1 ILE A 62 -5.628 1.155 7.043 1.00 0.00 C ATOM 927 CG2 ILE A 62 -3.506 0.287 8.056 1.00 0.00 C ATOM 928 CD1 ILE A 62 -6.346 0.995 5.702 1.00 0.00 C ATOM 0 H ILE A 62 -3.886 2.099 4.579 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.002 3.128 7.327 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.892 0.434 5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.979 0.400 7.746 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.862 2.127 7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.963 -0.698 8.153 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.431 0.175 7.912 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.693 0.864 8.962 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.421 1.091 5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.005 1.767 5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.124 0.012 5.285 1.00 0.00 H new ATOM 940 N LEU A 63 -1.161 2.174 6.026 1.00 0.00 N ATOM 941 CA LEU A 63 0.303 2.150 6.326 1.00 0.00 C ATOM 942 C LEU A 63 0.841 3.573 6.430 1.00 0.00 C ATOM 943 O LEU A 63 1.653 3.865 7.290 1.00 0.00 O ATOM 944 CB LEU A 63 1.054 1.382 5.236 1.00 0.00 C ATOM 945 CG LEU A 63 2.475 1.074 5.713 1.00 0.00 C ATOM 946 CD1 LEU A 63 2.936 -0.264 5.125 1.00 0.00 C ATOM 947 CD2 LEU A 63 3.424 2.188 5.257 1.00 0.00 C ATOM 0 H LEU A 63 -1.413 1.979 5.057 1.00 0.00 H new ATOM 0 HA LEU A 63 0.456 1.645 7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.529 0.456 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.087 1.970 4.319 1.00 0.00 H new ATOM 0 HG LEU A 63 2.485 1.014 6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.948 -0.482 5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.264 -1.057 5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.924 -0.207 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.435 1.967 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.414 2.252 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.099 3.139 5.680 1.00 0.00 H new ATOM 959 N MET A 64 0.399 4.448 5.560 1.00 0.00 N ATOM 960 CA MET A 64 0.876 5.862 5.586 1.00 0.00 C ATOM 961 C MET A 64 0.163 6.643 6.697 1.00 0.00 C ATOM 962 O MET A 64 0.803 7.267 7.526 1.00 0.00 O ATOM 963 CB MET A 64 0.584 6.523 4.231 1.00 0.00 C ATOM 964 CG MET A 64 1.323 7.861 4.133 1.00 0.00 C ATOM 965 SD MET A 64 0.116 9.206 4.035 1.00 0.00 S ATOM 966 CE MET A 64 -0.666 8.698 2.483 1.00 0.00 C ATOM 0 H MET A 64 -0.278 4.239 4.827 1.00 0.00 H new ATOM 0 HA MET A 64 1.949 5.871 5.779 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.897 5.865 3.421 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.488 6.681 4.117 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.967 7.998 5.001 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.967 7.870 3.254 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.907 9.581 1.891 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.018 8.061 1.922 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.580 8.146 2.700 1.00 0.00 H new ATOM 976 N ASP A 65 -1.157 6.616 6.701 1.00 0.00 N ATOM 977 CA ASP A 65 -1.940 7.364 7.742 1.00 0.00 C ATOM 978 C ASP A 65 -2.005 6.578 9.056 1.00 0.00 C ATOM 979 O ASP A 65 -2.245 7.158 10.103 1.00 0.00 O ATOM 980 CB ASP A 65 -3.362 7.741 7.244 1.00 0.00 C ATOM 981 CG ASP A 65 -3.265 8.989 6.366 1.00 0.00 C ATOM 982 OD1 ASP A 65 -2.847 8.858 5.227 1.00 0.00 O ATOM 983 OD2 ASP A 65 -3.608 10.056 6.847 1.00 0.00 O ATOM 0 H ASP A 65 -1.724 6.105 6.024 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.410 8.297 7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.795 6.915 6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.021 7.927 8.092 1.00 0.00 H new ATOM 988 N GLY A 66 -1.828 5.268 9.010 1.00 0.00 N ATOM 989 CA GLY A 66 -1.915 4.445 10.257 1.00 0.00 C ATOM 990 C GLY A 66 -3.379 4.051 10.491 1.00 0.00 C ATOM 991 O GLY A 66 -4.288 4.786 10.141 1.00 0.00 O ATOM 0 H GLY A 66 -1.628 4.741 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.295 3.553 10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.536 5.010 11.109 1.00 0.00 H new ATOM 995 N VAL A 67 -3.599 2.890 11.063 1.00 0.00 N ATOM 996 CA VAL A 67 -4.991 2.391 11.327 1.00 0.00 C ATOM 997 C VAL A 67 -5.197 2.203 12.831 1.00 0.00 C ATOM 998 O VAL A 67 -4.246 2.121 13.587 1.00 0.00 O ATOM 999 CB VAL A 67 -5.214 1.067 10.590 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -4.156 0.051 11.027 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -6.613 0.516 10.897 1.00 0.00 C ATOM 0 H VAL A 67 -2.860 2.255 11.364 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.713 3.122 10.963 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.131 1.243 9.517 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.317 -0.890 10.501 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.164 0.434 10.790 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.233 -0.116 12.101 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.758 -0.425 10.367 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.710 0.347 11.969 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.366 1.234 10.573 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.441 2.156 13.261 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.746 1.995 14.714 1.00 0.00 C ATOM 1013 C VAL A 68 -7.434 0.646 14.940 1.00 0.00 C ATOM 1014 O VAL A 68 -7.977 0.043 14.030 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.628 3.160 15.199 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -8.162 2.892 16.619 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.776 4.425 15.226 1.00 0.00 C ATOM 0 H VAL A 68 -7.261 2.223 12.658 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.821 2.014 15.291 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.477 3.270 14.524 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.782 3.730 16.939 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.758 1.979 16.617 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.324 2.777 17.307 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.382 5.264 15.567 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.936 4.283 15.906 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.401 4.632 14.224 1.00 0.00 H new ATOM 1027 N THR A 69 -7.350 0.176 16.158 1.00 0.00 N ATOM 1028 CA THR A 69 -7.915 -1.145 16.539 1.00 0.00 C ATOM 1029 C THR A 69 -9.012 -0.956 17.577 1.00 0.00 C ATOM 1030 O THR A 69 -9.111 0.073 18.218 1.00 0.00 O ATOM 1031 CB THR A 69 -6.813 -2.047 17.104 1.00 0.00 C ATOM 1032 OG1 THR A 69 -6.191 -1.409 18.202 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.769 -2.328 16.020 1.00 0.00 C ATOM 0 H THR A 69 -6.898 0.673 16.925 1.00 0.00 H new ATOM 0 HA THR A 69 -8.337 -1.618 15.653 1.00 0.00 H new ATOM 0 HB THR A 69 -7.255 -2.987 17.434 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.735 -0.598 17.894 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.987 -2.970 16.426 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.246 -2.826 15.176 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.330 -1.388 15.685 1.00 0.00 H new ATOM 1041 N SER A 70 -9.852 -1.948 17.695 1.00 0.00 N ATOM 1042 CA SER A 70 -11.002 -1.910 18.644 1.00 0.00 C ATOM 1043 C SER A 70 -10.499 -1.822 20.082 1.00 0.00 C ATOM 1044 O SER A 70 -11.140 -1.233 20.939 1.00 0.00 O ATOM 1045 CB SER A 70 -11.816 -3.188 18.456 1.00 0.00 C ATOM 1046 OG SER A 70 -12.957 -3.154 19.304 1.00 0.00 O ATOM 0 H SER A 70 -9.786 -2.811 17.155 1.00 0.00 H new ATOM 0 HA SER A 70 -11.620 -1.034 18.445 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.126 -3.284 17.415 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.203 -4.059 18.688 1.00 0.00 H new ATOM 0 HG SER A 70 -13.480 -3.974 19.182 1.00 0.00 H new ATOM 1052 N SER A 71 -9.359 -2.404 20.335 1.00 0.00 N ATOM 1053 CA SER A 71 -8.760 -2.386 21.708 1.00 0.00 C ATOM 1054 C SER A 71 -8.298 -0.967 22.070 1.00 0.00 C ATOM 1055 O SER A 71 -8.052 -0.675 23.229 1.00 0.00 O ATOM 1056 CB SER A 71 -7.558 -3.331 21.749 1.00 0.00 C ATOM 1057 OG SER A 71 -6.797 -3.181 20.557 1.00 0.00 O ATOM 0 H SER A 71 -8.805 -2.901 19.638 1.00 0.00 H new ATOM 0 HA SER A 71 -9.514 -2.709 22.426 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.939 -3.112 22.619 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.896 -4.362 21.850 1.00 0.00 H new ATOM 0 HG SER A 71 -6.246 -3.979 20.418 1.00 0.00 H new ATOM 1063 N GLY A 72 -8.165 -0.097 21.087 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.701 1.302 21.353 1.00 0.00 C ATOM 1065 C GLY A 72 -6.208 1.427 20.998 1.00 0.00 C ATOM 1066 O GLY A 72 -5.583 2.427 21.314 1.00 0.00 O ATOM 0 H GLY A 72 -8.361 -0.303 20.107 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.286 2.008 20.763 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.858 1.555 22.401 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.634 0.420 20.348 1.00 0.00 N ATOM 1071 CA GLN A 73 -4.183 0.470 19.970 1.00 0.00 C ATOM 1072 C GLN A 73 -4.062 0.860 18.497 1.00 0.00 C ATOM 1073 O GLN A 73 -4.993 0.689 17.743 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.546 -0.904 20.196 1.00 0.00 C ATOM 1075 CG GLN A 73 -3.755 -1.333 21.657 1.00 0.00 C ATOM 1076 CD GLN A 73 -3.893 -2.864 21.765 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -4.047 -3.561 20.777 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -3.851 -3.419 22.944 1.00 0.00 N ATOM 0 H GLN A 73 -6.118 -0.432 20.067 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.668 1.207 20.586 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.991 -1.638 19.523 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.481 -0.865 19.966 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.914 -0.996 22.263 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.649 -0.854 22.057 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.722 -2.842 23.775 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.947 -4.430 23.035 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.929 1.389 18.086 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.754 1.801 16.662 1.00 0.00 C ATOM 1089 C HIS A 74 -1.678 0.927 16.029 1.00 0.00 C ATOM 1090 O HIS A 74 -0.821 0.394 16.717 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.279 3.248 16.606 1.00 0.00 C ATOM 1092 CG HIS A 74 -3.424 4.205 16.820 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -3.521 5.396 16.117 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -4.507 4.183 17.668 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -4.620 6.038 16.551 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -5.259 5.342 17.496 1.00 0.00 N ATOM 0 H HIS A 74 -2.118 1.551 18.683 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.702 1.696 16.134 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.516 3.413 17.367 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.813 3.444 15.640 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.739 3.388 18.361 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.946 6.999 16.181 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -6.114 5.604 17.986 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.726 0.780 14.724 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.721 -0.062 14.006 1.00 0.00 C ATOM 1106 C GLU A 75 -0.332 0.606 12.694 1.00 0.00 C ATOM 1107 O GLU A 75 -0.758 1.711 12.398 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.299 -1.453 13.722 1.00 0.00 C ATOM 1109 CG GLU A 75 -1.919 -2.033 14.998 1.00 0.00 C ATOM 1110 CD GLU A 75 -1.644 -3.537 15.064 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -0.492 -3.915 14.931 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -2.591 -4.285 15.248 1.00 0.00 O ATOM 0 H GLU A 75 -2.427 1.213 14.123 1.00 0.00 H new ATOM 0 HA GLU A 75 0.162 -0.167 14.636 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.053 -1.389 12.938 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.514 -2.114 13.356 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.502 -1.538 15.875 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.993 -1.849 15.009 1.00 0.00 H new ATOM 1119 N GLY A 76 0.496 -0.059 11.916 1.00 0.00 N ATOM 1120 CA GLY A 76 0.964 0.511 10.614 1.00 0.00 C ATOM 1121 C GLY A 76 1.616 1.867 10.882 1.00 0.00 C ATOM 1122 O GLY A 76 2.247 2.061 11.909 1.00 0.00 O ATOM 0 H GLY A 76 0.869 -0.983 12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.676 -0.164 10.140 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.125 0.624 9.927 1.00 0.00 H new ATOM 1126 N ARG A 77 1.449 2.801 9.977 1.00 0.00 N ATOM 1127 CA ARG A 77 2.034 4.168 10.167 1.00 0.00 C ATOM 1128 C ARG A 77 3.557 4.073 10.396 1.00 0.00 C ATOM 1129 O ARG A 77 4.157 4.978 10.958 1.00 0.00 O ATOM 1130 CB ARG A 77 1.372 4.814 11.390 1.00 0.00 C ATOM 1131 CG ARG A 77 1.412 6.342 11.257 1.00 0.00 C ATOM 1132 CD ARG A 77 2.517 6.918 12.150 1.00 0.00 C ATOM 1133 NE ARG A 77 1.903 7.748 13.223 1.00 0.00 N ATOM 1134 CZ ARG A 77 2.372 8.939 13.475 1.00 0.00 C ATOM 1135 NH1 ARG A 77 3.413 9.081 14.249 1.00 0.00 N ATOM 1136 NH2 ARG A 77 1.800 9.990 12.951 1.00 0.00 N ATOM 0 H ARG A 77 0.929 2.675 9.109 1.00 0.00 H new ATOM 0 HA ARG A 77 1.854 4.769 9.276 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.340 4.474 11.478 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.888 4.505 12.299 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.591 6.620 10.218 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.448 6.765 11.539 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.102 6.110 12.590 1.00 0.00 H new ATOM 0 HD3 ARG A 77 3.203 7.522 11.555 1.00 0.00 H new ATOM 0 HE ARG A 77 1.116 7.385 13.761 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.861 8.260 14.657 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.779 10.013 14.446 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.987 9.879 12.345 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.166 10.921 13.148 1.00 0.00 H new ATOM 1150 N LEU A 78 4.178 2.981 9.975 1.00 0.00 N ATOM 1151 CA LEU A 78 5.654 2.809 10.174 1.00 0.00 C ATOM 1152 C LEU A 78 6.434 3.663 9.167 1.00 0.00 C ATOM 1153 O LEU A 78 7.612 3.907 9.365 1.00 0.00 O ATOM 1154 CB LEU A 78 6.033 1.330 10.013 1.00 0.00 C ATOM 1155 CG LEU A 78 5.982 0.643 11.379 1.00 0.00 C ATOM 1156 CD1 LEU A 78 4.522 0.424 11.791 1.00 0.00 C ATOM 1157 CD2 LEU A 78 6.700 -0.706 11.294 1.00 0.00 C ATOM 0 H LEU A 78 3.717 2.204 9.502 1.00 0.00 H new ATOM 0 HA LEU A 78 5.912 3.137 11.181 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.348 0.840 9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.032 1.243 9.587 1.00 0.00 H new ATOM 0 HG LEU A 78 6.474 1.271 12.122 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.488 -0.066 12.764 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.013 1.386 11.851 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.026 -0.204 11.051 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.666 -1.198 12.266 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.208 -1.334 10.551 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.739 -0.548 11.004 1.00 0.00 H new ATOM 1169 N LEU A 79 5.794 4.128 8.102 1.00 0.00 N ATOM 1170 CA LEU A 79 6.497 4.980 7.093 1.00 0.00 C ATOM 1171 C LEU A 79 7.031 6.234 7.799 1.00 0.00 C ATOM 1172 O LEU A 79 6.337 7.232 7.927 1.00 0.00 O ATOM 1173 CB LEU A 79 5.503 5.370 5.987 1.00 0.00 C ATOM 1174 CG LEU A 79 6.117 5.110 4.608 1.00 0.00 C ATOM 1175 CD1 LEU A 79 6.404 3.612 4.440 1.00 0.00 C ATOM 1176 CD2 LEU A 79 5.136 5.566 3.525 1.00 0.00 C ATOM 0 H LEU A 79 4.811 3.947 7.897 1.00 0.00 H new ATOM 0 HA LEU A 79 7.329 4.438 6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.582 4.797 6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.237 6.423 6.082 1.00 0.00 H new ATOM 0 HG LEU A 79 7.050 5.665 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.841 3.433 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.102 3.286 5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.474 3.051 4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.569 5.383 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.204 5.009 3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.936 6.631 3.641 1.00 0.00 H new ATOM 1188 N GLN A 80 8.258 6.168 8.272 1.00 0.00 N ATOM 1189 CA GLN A 80 8.872 7.324 8.995 1.00 0.00 C ATOM 1190 C GLN A 80 10.251 7.614 8.426 1.00 0.00 C ATOM 1191 O GLN A 80 10.687 6.997 7.467 1.00 0.00 O ATOM 1192 CB GLN A 80 9.002 6.988 10.485 1.00 0.00 C ATOM 1193 CG GLN A 80 7.636 6.590 11.050 1.00 0.00 C ATOM 1194 CD GLN A 80 6.873 7.843 11.486 1.00 0.00 C ATOM 1195 OE1 GLN A 80 7.435 8.730 12.099 1.00 0.00 O ATOM 1196 NE2 GLN A 80 5.605 7.955 11.196 1.00 0.00 N ATOM 0 H GLN A 80 8.863 5.351 8.185 1.00 0.00 H new ATOM 0 HA GLN A 80 8.236 8.200 8.870 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.713 6.174 10.622 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.393 7.848 11.028 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.064 6.048 10.297 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.764 5.917 11.898 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.132 7.212 10.682 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.087 8.786 11.484 1.00 0.00 H new ATOM 1205 N ASP A 81 10.922 8.567 9.017 1.00 0.00 N ATOM 1206 CA ASP A 81 12.278 8.966 8.551 1.00 0.00 C ATOM 1207 C ASP A 81 13.291 7.846 8.797 1.00 0.00 C ATOM 1208 O ASP A 81 13.793 7.666 9.895 1.00 0.00 O ATOM 1209 CB ASP A 81 12.726 10.227 9.286 1.00 0.00 C ATOM 1210 CG ASP A 81 11.803 11.390 8.913 1.00 0.00 C ATOM 1211 OD1 ASP A 81 10.708 11.447 9.448 1.00 0.00 O ATOM 1212 OD2 ASP A 81 12.207 12.202 8.097 1.00 0.00 O ATOM 0 H ASP A 81 10.578 9.095 9.819 1.00 0.00 H new ATOM 0 HA ASP A 81 12.228 9.161 7.480 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.702 10.061 10.363 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.756 10.467 9.023 1.00 0.00 H new ATOM 1217 N LEU A 82 13.618 7.139 7.749 1.00 0.00 N ATOM 1218 CA LEU A 82 14.639 6.047 7.808 1.00 0.00 C ATOM 1219 C LEU A 82 16.022 6.696 7.573 1.00 0.00 C ATOM 1220 O LEU A 82 16.076 7.862 7.206 1.00 0.00 O ATOM 1221 CB LEU A 82 14.328 5.020 6.704 1.00 0.00 C ATOM 1222 CG LEU A 82 13.238 4.054 7.181 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.668 3.284 5.986 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.841 3.054 8.172 1.00 0.00 C ATOM 0 H LEU A 82 13.208 7.276 6.825 1.00 0.00 H new ATOM 0 HA LEU A 82 14.628 5.536 8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.001 5.533 5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.230 4.465 6.447 1.00 0.00 H new ATOM 0 HG LEU A 82 12.443 4.624 7.663 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.894 2.599 6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.239 3.987 5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.465 2.718 5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.066 2.366 8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.636 2.492 7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.250 3.591 9.028 1.00 0.00 H new ATOM 1236 N PRO A 83 17.108 5.962 7.786 1.00 0.00 N ATOM 1237 CA PRO A 83 18.458 6.525 7.587 1.00 0.00 C ATOM 1238 C PRO A 83 18.720 6.762 6.099 1.00 0.00 C ATOM 1239 O PRO A 83 19.064 5.853 5.363 1.00 0.00 O ATOM 1240 CB PRO A 83 19.396 5.475 8.189 1.00 0.00 C ATOM 1241 CG PRO A 83 18.603 4.151 8.216 1.00 0.00 C ATOM 1242 CD PRO A 83 17.112 4.538 8.219 1.00 0.00 C ATOM 0 HA PRO A 83 18.597 7.497 8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.302 5.374 7.591 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.708 5.762 9.193 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.843 3.537 7.348 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.854 3.566 9.100 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.536 3.912 7.537 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.671 4.421 9.209 1.00 0.00 H new ATOM 1250 N GLY A 84 18.555 7.997 5.673 1.00 0.00 N ATOM 1251 CA GLY A 84 18.781 8.370 4.244 1.00 0.00 C ATOM 1252 C GLY A 84 17.446 8.428 3.475 1.00 0.00 C ATOM 1253 O GLY A 84 17.448 8.694 2.284 1.00 0.00 O ATOM 0 H GLY A 84 18.268 8.772 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.279 9.338 4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.445 7.644 3.775 1.00 0.00 H new ATOM 1257 N CYS A 85 16.310 8.185 4.132 1.00 0.00 N ATOM 1258 CA CYS A 85 14.992 8.226 3.409 1.00 0.00 C ATOM 1259 C CYS A 85 13.966 9.017 4.260 1.00 0.00 C ATOM 1260 O CYS A 85 13.303 8.429 5.091 1.00 0.00 O ATOM 1261 CB CYS A 85 14.459 6.795 3.201 1.00 0.00 C ATOM 1262 SG CYS A 85 15.811 5.654 2.821 1.00 0.00 S ATOM 0 H CYS A 85 16.251 7.964 5.126 1.00 0.00 H new ATOM 0 HA CYS A 85 15.134 8.708 2.442 1.00 0.00 H new ATOM 0 HB2 CYS A 85 13.938 6.462 4.099 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.732 6.787 2.389 1.00 0.00 H new ATOM 1267 N PRO A 86 13.851 10.326 4.056 1.00 0.00 N ATOM 1268 CA PRO A 86 12.901 11.148 4.844 1.00 0.00 C ATOM 1269 C PRO A 86 11.452 10.874 4.439 1.00 0.00 C ATOM 1270 O PRO A 86 11.190 10.372 3.360 1.00 0.00 O ATOM 1271 CB PRO A 86 13.278 12.592 4.501 1.00 0.00 C ATOM 1272 CG PRO A 86 14.053 12.536 3.166 1.00 0.00 C ATOM 1273 CD PRO A 86 14.611 11.104 3.041 1.00 0.00 C ATOM 0 HA PRO A 86 12.964 10.929 5.910 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.388 13.214 4.407 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.892 13.030 5.288 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.398 12.771 2.327 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.860 13.269 3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.461 10.704 2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.683 11.076 3.238 1.00 0.00 H new ATOM 1281 N ARG A 87 10.506 11.236 5.298 1.00 0.00 N ATOM 1282 CA ARG A 87 9.055 11.052 4.989 1.00 0.00 C ATOM 1283 C ARG A 87 8.749 11.584 3.585 1.00 0.00 C ATOM 1284 O ARG A 87 7.813 11.151 2.940 1.00 0.00 O ATOM 1285 CB ARG A 87 8.237 11.884 5.971 1.00 0.00 C ATOM 1286 CG ARG A 87 8.544 11.469 7.412 1.00 0.00 C ATOM 1287 CD ARG A 87 7.244 11.132 8.152 1.00 0.00 C ATOM 1288 NE ARG A 87 6.445 10.160 7.352 1.00 0.00 N ATOM 1289 CZ ARG A 87 5.143 10.266 7.300 1.00 0.00 C ATOM 1290 NH1 ARG A 87 4.467 10.573 8.375 1.00 0.00 N ATOM 1291 NH2 ARG A 87 4.515 10.060 6.175 1.00 0.00 N ATOM 0 H ARG A 87 10.693 11.656 6.209 1.00 0.00 H new ATOM 0 HA ARG A 87 8.810 9.992 5.058 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.462 12.942 5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.174 11.755 5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.208 10.605 7.416 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.066 12.275 7.927 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.471 10.711 9.132 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.665 12.040 8.322 1.00 0.00 H new ATOM 0 HE ARG A 87 6.915 9.411 6.844 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.955 10.730 9.257 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.451 10.655 8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.040 9.816 5.335 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.499 10.143 6.135 1.00 0.00 H new ATOM 1305 N GLN A 88 9.523 12.556 3.147 1.00 0.00 N ATOM 1306 CA GLN A 88 9.295 13.192 1.805 1.00 0.00 C ATOM 1307 C GLN A 88 9.420 12.176 0.657 1.00 0.00 C ATOM 1308 O GLN A 88 8.579 12.148 -0.234 1.00 0.00 O ATOM 1309 CB GLN A 88 10.314 14.314 1.600 1.00 0.00 C ATOM 1310 CG GLN A 88 9.775 15.607 2.214 1.00 0.00 C ATOM 1311 CD GLN A 88 9.723 15.463 3.734 1.00 0.00 C ATOM 1312 OE1 GLN A 88 8.669 15.565 4.331 1.00 0.00 O ATOM 1313 NE2 GLN A 88 10.825 15.229 4.392 1.00 0.00 N ATOM 0 H GLN A 88 10.311 12.939 3.669 1.00 0.00 H new ATOM 0 HA GLN A 88 8.279 13.588 1.791 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.264 14.047 2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.506 14.456 0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 88 10.413 16.447 1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 88 8.780 15.821 1.824 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.710 15.143 3.891 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.802 15.132 5.407 1.00 0.00 H new ATOM 1322 N VAL A 89 10.461 11.362 0.652 1.00 0.00 N ATOM 1323 CA VAL A 89 10.659 10.375 -0.446 1.00 0.00 C ATOM 1324 C VAL A 89 9.590 9.296 -0.369 1.00 0.00 C ATOM 1325 O VAL A 89 9.070 8.857 -1.381 1.00 0.00 O ATOM 1326 CB VAL A 89 12.041 9.761 -0.283 1.00 0.00 C ATOM 1327 CG1 VAL A 89 12.321 8.787 -1.427 1.00 0.00 C ATOM 1328 CG2 VAL A 89 13.067 10.879 -0.301 1.00 0.00 C ATOM 0 H VAL A 89 11.182 11.348 1.373 1.00 0.00 H new ATOM 0 HA VAL A 89 10.580 10.864 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 89 12.095 9.215 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.313 8.353 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.574 7.993 -1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.276 9.319 -2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.066 10.458 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.006 11.413 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.867 11.570 0.518 1.00 0.00 H new ATOM 1338 N GLN A 90 9.262 8.880 0.828 1.00 0.00 N ATOM 1339 CA GLN A 90 8.214 7.831 1.011 1.00 0.00 C ATOM 1340 C GLN A 90 6.862 8.391 0.566 1.00 0.00 C ATOM 1341 O GLN A 90 5.983 7.647 0.169 1.00 0.00 O ATOM 1342 CB GLN A 90 8.143 7.412 2.480 1.00 0.00 C ATOM 1343 CG GLN A 90 9.005 6.166 2.699 1.00 0.00 C ATOM 1344 CD GLN A 90 10.481 6.529 2.534 1.00 0.00 C ATOM 1345 OE1 GLN A 90 11.083 6.230 1.521 1.00 0.00 O ATOM 1346 NE2 GLN A 90 11.096 7.164 3.494 1.00 0.00 N ATOM 0 H GLN A 90 9.679 9.225 1.693 1.00 0.00 H new ATOM 0 HA GLN A 90 8.466 6.958 0.409 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.491 8.224 3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.110 7.206 2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.829 5.760 3.695 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.729 5.390 1.985 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.592 7.415 4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.081 7.409 3.394 1.00 0.00 H new ATOM 1355 N ARG A 91 6.694 9.700 0.639 1.00 0.00 N ATOM 1356 CA ARG A 91 5.403 10.338 0.221 1.00 0.00 C ATOM 1357 C ARG A 91 5.344 10.448 -1.308 1.00 0.00 C ATOM 1358 O ARG A 91 4.285 10.316 -1.897 1.00 0.00 O ATOM 1359 CB ARG A 91 5.278 11.730 0.847 1.00 0.00 C ATOM 1360 CG ARG A 91 3.815 11.996 1.210 1.00 0.00 C ATOM 1361 CD ARG A 91 3.512 11.403 2.587 1.00 0.00 C ATOM 1362 NE ARG A 91 2.090 11.688 2.947 1.00 0.00 N ATOM 1363 CZ ARG A 91 1.788 12.714 3.708 1.00 0.00 C ATOM 1364 NH1 ARG A 91 2.540 13.784 3.713 1.00 0.00 N ATOM 1365 NH2 ARG A 91 0.724 12.667 4.463 1.00 0.00 N ATOM 0 H ARG A 91 7.403 10.352 0.973 1.00 0.00 H new ATOM 0 HA ARG A 91 4.576 9.718 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.903 11.798 1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.634 12.488 0.149 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.620 13.068 1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.158 11.555 0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.688 10.327 2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.181 11.830 3.334 1.00 0.00 H new ATOM 0 HE ARG A 91 1.348 11.081 2.599 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.370 13.827 3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.296 14.576 4.308 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.132 11.836 4.459 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.484 13.461 5.056 1.00 0.00 H new ATOM 1379 N ALA A 92 6.477 10.692 -1.946 1.00 0.00 N ATOM 1380 CA ALA A 92 6.508 10.818 -3.441 1.00 0.00 C ATOM 1381 C ALA A 92 6.242 9.450 -4.071 1.00 0.00 C ATOM 1382 O ALA A 92 5.460 9.331 -5.000 1.00 0.00 O ATOM 1383 CB ALA A 92 7.882 11.323 -3.878 1.00 0.00 C ATOM 0 H ALA A 92 7.381 10.809 -1.489 1.00 0.00 H new ATOM 0 HA ALA A 92 5.742 11.522 -3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 92 7.907 11.415 -4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.072 12.297 -3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.648 10.618 -3.556 1.00 0.00 H new ATOM 1389 N PHE A 93 6.900 8.429 -3.568 1.00 0.00 N ATOM 1390 CA PHE A 93 6.718 7.039 -4.097 1.00 0.00 C ATOM 1391 C PHE A 93 5.414 6.428 -3.551 1.00 0.00 C ATOM 1392 O PHE A 93 4.864 5.517 -4.147 1.00 0.00 O ATOM 1393 CB PHE A 93 7.910 6.173 -3.658 1.00 0.00 C ATOM 1394 CG PHE A 93 7.678 4.729 -4.060 1.00 0.00 C ATOM 1395 CD1 PHE A 93 6.931 3.881 -3.227 1.00 0.00 C ATOM 1396 CD2 PHE A 93 8.190 4.250 -5.266 1.00 0.00 C ATOM 1397 CE1 PHE A 93 6.704 2.554 -3.604 1.00 0.00 C ATOM 1398 CE2 PHE A 93 7.963 2.923 -5.645 1.00 0.00 C ATOM 1399 CZ PHE A 93 7.219 2.073 -4.815 1.00 0.00 C ATOM 0 H PHE A 93 7.567 8.504 -2.800 1.00 0.00 H new ATOM 0 HA PHE A 93 6.663 7.074 -5.185 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.827 6.544 -4.115 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.042 6.242 -2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.532 4.254 -2.295 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.762 4.904 -5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.132 1.900 -2.962 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.361 2.553 -6.578 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.043 1.049 -5.109 1.00 0.00 H new ATOM 1409 N ALA A 94 4.958 6.893 -2.403 1.00 0.00 N ATOM 1410 CA ALA A 94 3.725 6.337 -1.748 1.00 0.00 C ATOM 1411 C ALA A 94 2.601 6.059 -2.768 1.00 0.00 C ATOM 1412 O ALA A 94 2.084 4.955 -2.789 1.00 0.00 O ATOM 1413 CB ALA A 94 3.227 7.324 -0.687 1.00 0.00 C ATOM 0 H ALA A 94 5.401 7.651 -1.884 1.00 0.00 H new ATOM 0 HA ALA A 94 3.991 5.386 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.332 6.924 -0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.003 7.473 0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.991 8.277 -1.159 1.00 0.00 H new ATOM 1419 N PRO A 95 2.257 7.042 -3.592 1.00 0.00 N ATOM 1420 CA PRO A 95 1.204 6.863 -4.609 1.00 0.00 C ATOM 1421 C PRO A 95 1.726 5.959 -5.734 1.00 0.00 C ATOM 1422 O PRO A 95 2.793 5.374 -5.613 1.00 0.00 O ATOM 1423 CB PRO A 95 0.897 8.287 -5.086 1.00 0.00 C ATOM 1424 CG PRO A 95 2.128 9.146 -4.726 1.00 0.00 C ATOM 1425 CD PRO A 95 2.873 8.395 -3.603 1.00 0.00 C ATOM 0 HA PRO A 95 0.303 6.376 -4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.713 8.305 -6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.000 8.673 -4.602 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.772 9.284 -5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.825 10.139 -4.394 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.943 8.343 -3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.751 8.895 -2.642 1.00 0.00 H new ATOM 1433 N LYS A 96 0.977 5.822 -6.808 1.00 0.00 N ATOM 1434 CA LYS A 96 1.406 4.936 -7.944 1.00 0.00 C ATOM 1435 C LYS A 96 1.415 3.462 -7.484 1.00 0.00 C ATOM 1436 O LYS A 96 2.047 2.623 -8.107 1.00 0.00 O ATOM 1437 CB LYS A 96 2.819 5.343 -8.414 1.00 0.00 C ATOM 1438 CG LYS A 96 2.746 6.029 -9.785 1.00 0.00 C ATOM 1439 CD LYS A 96 1.907 7.305 -9.682 1.00 0.00 C ATOM 1440 CE LYS A 96 2.373 8.305 -10.741 1.00 0.00 C ATOM 1441 NZ LYS A 96 3.388 9.220 -10.146 1.00 0.00 N ATOM 0 H LYS A 96 0.081 6.289 -6.947 1.00 0.00 H new ATOM 0 HA LYS A 96 0.704 5.048 -8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.272 6.016 -7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.458 4.462 -8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.750 6.270 -10.135 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.307 5.352 -10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.852 7.072 -9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.006 7.739 -8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.799 7.776 -11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.524 8.879 -11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.706 9.901 -10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.966 9.733 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.201 8.665 -9.811 1.00 0.00 H new ATOM 1455 N LEU A 97 0.737 3.151 -6.387 1.00 0.00 N ATOM 1456 CA LEU A 97 0.724 1.730 -5.859 1.00 0.00 C ATOM 1457 C LEU A 97 -0.147 0.792 -6.730 1.00 0.00 C ATOM 1458 O LEU A 97 0.375 -0.154 -7.299 1.00 0.00 O ATOM 1459 CB LEU A 97 0.234 1.681 -4.400 1.00 0.00 C ATOM 1460 CG LEU A 97 -0.968 2.622 -4.173 1.00 0.00 C ATOM 1461 CD1 LEU A 97 -2.143 1.838 -3.563 1.00 0.00 C ATOM 1462 CD2 LEU A 97 -0.561 3.762 -3.226 1.00 0.00 C ATOM 0 H LEU A 97 0.194 3.817 -5.837 1.00 0.00 H new ATOM 0 HA LEU A 97 1.754 1.376 -5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.049 0.660 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.048 1.962 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.278 3.040 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.987 2.510 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.438 1.038 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.838 1.410 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.412 4.425 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.243 3.345 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.261 4.326 -3.667 1.00 0.00 H new ATOM 1474 N VAL A 98 -1.452 1.022 -6.841 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.329 0.128 -7.675 1.00 0.00 C ATOM 1476 C VAL A 98 -2.333 0.588 -9.143 1.00 0.00 C ATOM 1477 O VAL A 98 -3.282 0.348 -9.880 1.00 0.00 O ATOM 1478 CB VAL A 98 -3.746 0.167 -7.119 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -3.716 -0.327 -5.686 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -4.296 1.599 -7.155 1.00 0.00 C ATOM 0 H VAL A 98 -1.940 1.794 -6.386 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.941 -0.890 -7.636 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.392 -0.468 -7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.724 -0.305 -5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.335 -1.348 -5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.067 0.317 -5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.310 1.610 -6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.661 2.248 -6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.309 1.958 -8.184 1.00 0.00 H new ATOM 1490 N THR A 99 -1.281 1.236 -9.565 1.00 0.00 N ATOM 1491 CA THR A 99 -1.174 1.715 -10.973 1.00 0.00 C ATOM 1492 C THR A 99 -0.351 0.698 -11.766 1.00 0.00 C ATOM 1493 O THR A 99 0.185 -0.237 -11.189 1.00 0.00 O ATOM 1494 CB THR A 99 -0.457 3.071 -10.994 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.894 2.908 -10.577 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.156 4.023 -10.040 1.00 0.00 C ATOM 0 H THR A 99 -0.475 1.458 -8.981 1.00 0.00 H new ATOM 0 HA THR A 99 -2.166 1.823 -11.411 1.00 0.00 H new ATOM 0 HB THR A 99 -0.480 3.473 -12.007 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.479 3.456 -11.141 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.649 4.988 -10.052 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.193 4.154 -10.351 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.129 3.612 -9.031 1.00 0.00 H new ATOM 1504 N GLU A 100 -0.237 0.855 -13.071 1.00 0.00 N ATOM 1505 CA GLU A 100 0.568 -0.120 -13.869 1.00 0.00 C ATOM 1506 C GLU A 100 2.064 -0.120 -13.448 1.00 0.00 C ATOM 1507 O GLU A 100 2.841 -0.856 -14.034 1.00 0.00 O ATOM 1508 CB GLU A 100 0.461 0.236 -15.353 1.00 0.00 C ATOM 1509 CG GLU A 100 0.844 -0.980 -16.207 1.00 0.00 C ATOM 1510 CD GLU A 100 2.250 -0.786 -16.783 1.00 0.00 C ATOM 1511 OE1 GLU A 100 2.465 0.217 -17.442 1.00 0.00 O ATOM 1512 OE2 GLU A 100 3.086 -1.644 -16.552 1.00 0.00 O ATOM 0 H GLU A 100 -0.664 1.610 -13.608 1.00 0.00 H new ATOM 0 HA GLU A 100 0.169 -1.117 -13.683 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.555 0.552 -15.588 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.117 1.075 -15.584 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.811 -1.886 -15.602 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.124 -1.110 -17.015 1.00 0.00 H new ATOM 1519 N VAL A 101 2.495 0.687 -12.465 1.00 0.00 N ATOM 1520 CA VAL A 101 3.942 0.692 -12.073 1.00 0.00 C ATOM 1521 C VAL A 101 4.185 -0.181 -10.827 1.00 0.00 C ATOM 1522 O VAL A 101 5.317 -0.289 -10.380 1.00 0.00 O ATOM 1523 CB VAL A 101 4.394 2.131 -11.766 1.00 0.00 C ATOM 1524 CG1 VAL A 101 5.929 2.197 -11.727 1.00 0.00 C ATOM 1525 CG2 VAL A 101 3.873 3.092 -12.844 1.00 0.00 C ATOM 0 H VAL A 101 1.901 1.326 -11.936 1.00 0.00 H new ATOM 0 HA VAL A 101 4.515 0.285 -12.906 1.00 0.00 H new ATOM 0 HB VAL A 101 3.990 2.425 -10.797 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.244 3.218 -11.509 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.302 1.529 -10.951 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.331 1.891 -12.693 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.199 4.107 -12.615 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.265 2.795 -13.817 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.784 3.058 -12.866 1.00 0.00 H new ATOM 1535 N GLU A 102 3.156 -0.797 -10.250 1.00 0.00 N ATOM 1536 CA GLU A 102 3.387 -1.642 -9.024 1.00 0.00 C ATOM 1537 C GLU A 102 2.574 -2.955 -9.067 1.00 0.00 C ATOM 1538 O GLU A 102 3.079 -3.970 -9.518 1.00 0.00 O ATOM 1539 CB GLU A 102 3.027 -0.826 -7.770 1.00 0.00 C ATOM 1540 CG GLU A 102 4.306 -0.370 -7.048 1.00 0.00 C ATOM 1541 CD GLU A 102 4.198 -0.684 -5.553 1.00 0.00 C ATOM 1542 OE1 GLU A 102 3.337 -0.111 -4.907 1.00 0.00 O ATOM 1543 OE2 GLU A 102 4.979 -1.494 -5.082 1.00 0.00 O ATOM 0 H GLU A 102 2.189 -0.749 -10.572 1.00 0.00 H new ATOM 0 HA GLU A 102 4.440 -1.920 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.430 0.042 -8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.416 -1.429 -7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.174 -0.874 -7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.455 0.700 -7.194 1.00 0.00 H new ATOM 1550 N CYS A 103 1.345 -2.953 -8.572 1.00 0.00 N ATOM 1551 CA CYS A 103 0.517 -4.208 -8.546 1.00 0.00 C ATOM 1552 C CYS A 103 -0.959 -3.868 -8.874 1.00 0.00 C ATOM 1553 O CYS A 103 -1.878 -4.366 -8.239 1.00 0.00 O ATOM 1554 CB CYS A 103 0.619 -4.817 -7.139 1.00 0.00 C ATOM 1555 SG CYS A 103 2.326 -5.337 -6.829 1.00 0.00 S ATOM 0 H CYS A 103 0.883 -2.130 -8.185 1.00 0.00 H new ATOM 0 HA CYS A 103 0.880 -4.919 -9.288 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.308 -4.087 -6.392 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.054 -5.670 -7.050 1.00 0.00 H new ATOM 1560 N ASN A 104 -1.184 -2.999 -9.855 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.572 -2.570 -10.251 1.00 0.00 C ATOM 1562 C ASN A 104 -3.596 -3.715 -10.202 1.00 0.00 C ATOM 1563 O ASN A 104 -4.474 -3.715 -9.354 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.507 -2.009 -11.676 1.00 0.00 C ATOM 1565 CG ASN A 104 -3.881 -1.505 -12.154 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -4.827 -1.417 -11.391 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -4.021 -1.157 -13.403 1.00 0.00 N ATOM 0 H ASN A 104 -0.442 -2.565 -10.404 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.908 -1.821 -9.534 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.787 -1.192 -11.713 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.147 -2.782 -12.355 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.920 -0.812 -13.739 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.231 -1.229 -14.044 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.499 -4.672 -11.106 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.485 -5.815 -11.128 1.00 0.00 C ATOM 1576 C LEU A 105 -5.943 -5.284 -11.039 1.00 0.00 C ATOM 1577 O LEU A 105 -6.829 -5.969 -10.551 1.00 0.00 O ATOM 1578 CB LEU A 105 -4.202 -6.731 -9.932 1.00 0.00 C ATOM 1579 CG LEU A 105 -2.896 -7.501 -10.164 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -2.081 -7.534 -8.868 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -3.215 -8.936 -10.599 1.00 0.00 C ATOM 0 H LEU A 105 -2.781 -4.712 -11.829 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.375 -6.365 -12.063 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.129 -6.140 -9.019 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.027 -7.430 -9.794 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.320 -7.003 -10.944 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.154 -8.082 -9.035 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.850 -6.515 -8.558 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.659 -8.029 -8.087 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.286 -9.481 -10.763 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.794 -9.432 -9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.792 -8.916 -11.523 1.00 0.00 H new ATOM 1593 N ALA A 106 -6.184 -4.063 -11.496 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.553 -3.459 -11.433 1.00 0.00 C ATOM 1595 C ALA A 106 -7.941 -3.304 -9.966 1.00 0.00 C ATOM 1596 O ALA A 106 -7.422 -4.005 -9.112 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.562 -4.360 -12.153 1.00 0.00 C ATOM 0 H ALA A 106 -5.475 -3.460 -11.913 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.554 -2.486 -11.925 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.554 -3.910 -12.100 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.269 -4.472 -13.197 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.582 -5.339 -11.674 1.00 0.00 H new ATOM 1603 N THR A 107 -8.821 -2.372 -9.666 1.00 0.00 N ATOM 1604 CA THR A 107 -9.222 -2.142 -8.242 1.00 0.00 C ATOM 1605 C THR A 107 -10.769 -2.268 -8.155 1.00 0.00 C ATOM 1606 O THR A 107 -11.391 -2.953 -8.949 1.00 0.00 O ATOM 1607 CB THR A 107 -8.777 -0.708 -7.799 1.00 0.00 C ATOM 1608 OG1 THR A 107 -9.769 0.241 -8.152 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.482 -0.284 -8.511 1.00 0.00 C ATOM 0 H THR A 107 -9.276 -1.764 -10.347 1.00 0.00 H new ATOM 0 HA THR A 107 -8.747 -2.872 -7.586 1.00 0.00 H new ATOM 0 HB THR A 107 -8.623 -0.740 -6.720 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.576 1.095 -7.711 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.197 0.716 -8.184 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.685 -0.987 -8.266 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.644 -0.280 -9.589 1.00 0.00 H new ATOM 1617 N ILE A 108 -11.369 -1.577 -7.205 1.00 0.00 N ATOM 1618 CA ILE A 108 -12.854 -1.569 -7.014 1.00 0.00 C ATOM 1619 C ILE A 108 -13.582 -1.084 -8.291 1.00 0.00 C ATOM 1620 O ILE A 108 -14.635 -1.588 -8.641 1.00 0.00 O ATOM 1621 CB ILE A 108 -13.149 -0.582 -5.867 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -14.668 -0.481 -5.623 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -12.581 0.810 -6.230 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -15.000 -1.003 -4.223 1.00 0.00 C ATOM 0 H ILE A 108 -10.866 -0.999 -6.532 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.205 -2.577 -6.792 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.675 -0.944 -4.955 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -14.994 0.554 -5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.206 -1.059 -6.374 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.788 1.510 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.504 0.736 -6.379 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -13.050 1.167 -7.147 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.074 -0.931 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -14.689 -2.044 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -14.474 -0.406 -3.478 1.00 0.00 H new ATOM 1636 N HIS A 109 -13.034 -0.085 -8.942 1.00 0.00 N ATOM 1637 CA HIS A 109 -13.675 0.513 -10.177 1.00 0.00 C ATOM 1638 C HIS A 109 -13.139 -0.162 -11.456 1.00 0.00 C ATOM 1639 O HIS A 109 -13.224 0.398 -12.537 1.00 0.00 O ATOM 1640 CB HIS A 109 -13.459 2.039 -10.206 1.00 0.00 C ATOM 1641 CG HIS A 109 -12.097 2.364 -9.707 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -10.979 2.053 -10.438 1.00 0.00 N ATOM 1643 CD2 HIS A 109 -11.645 2.841 -8.499 1.00 0.00 C ATOM 1644 CE1 HIS A 109 -9.927 2.330 -9.672 1.00 0.00 C ATOM 1645 NE2 HIS A 109 -10.275 2.808 -8.487 1.00 0.00 N ATOM 0 H HIS A 109 -12.154 0.355 -8.671 1.00 0.00 H new ATOM 0 HA HIS A 109 -14.748 0.327 -10.139 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -13.583 2.414 -11.222 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -14.210 2.534 -9.590 1.00 0.00 H new ATOM 0 HD1 HIS A 109 -10.958 1.681 -11.387 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -12.270 3.187 -7.689 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.903 2.182 -9.982 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.629 -1.387 -11.340 1.00 0.00 N ATOM 1654 CA GLY A 110 -12.126 -2.157 -12.530 1.00 0.00 C ATOM 1655 C GLY A 110 -11.252 -1.291 -13.447 1.00 0.00 C ATOM 1656 O GLY A 110 -11.602 -1.070 -14.595 1.00 0.00 O ATOM 0 H GLY A 110 -12.543 -1.884 -10.453 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.551 -3.018 -12.188 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.973 -2.544 -13.096 1.00 0.00 H new ATOM 1660 N GLY A 111 -10.119 -0.818 -12.960 1.00 0.00 N ATOM 1661 CA GLY A 111 -9.218 0.014 -13.813 1.00 0.00 C ATOM 1662 C GLY A 111 -8.056 0.579 -12.978 1.00 0.00 C ATOM 1663 O GLY A 111 -8.053 0.443 -11.768 1.00 0.00 O ATOM 0 H GLY A 111 -9.787 -0.976 -12.009 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.826 -0.588 -14.633 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.784 0.832 -14.260 1.00 0.00 H new ATOM 1667 N PRO A 112 -7.088 1.188 -13.655 1.00 0.00 N ATOM 1668 CA PRO A 112 -5.897 1.767 -12.999 1.00 0.00 C ATOM 1669 C PRO A 112 -6.194 3.184 -12.460 1.00 0.00 C ATOM 1670 O PRO A 112 -5.757 4.168 -13.042 1.00 0.00 O ATOM 1671 CB PRO A 112 -4.866 1.835 -14.144 1.00 0.00 C ATOM 1672 CG PRO A 112 -5.669 1.841 -15.467 1.00 0.00 C ATOM 1673 CD PRO A 112 -7.086 1.345 -15.133 1.00 0.00 C ATOM 0 HA PRO A 112 -5.560 1.184 -12.142 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.253 2.732 -14.060 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.189 0.982 -14.106 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.702 2.843 -15.894 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.198 1.194 -16.207 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -7.843 2.059 -15.457 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -7.304 0.401 -15.633 1.00 0.00 H new ATOM 1681 N PHE A 113 -6.920 3.302 -11.354 1.00 0.00 N ATOM 1682 CA PHE A 113 -7.225 4.697 -10.802 1.00 0.00 C ATOM 1683 C PHE A 113 -8.144 4.689 -9.549 1.00 0.00 C ATOM 1684 O PHE A 113 -9.336 4.822 -9.685 1.00 0.00 O ATOM 1685 CB PHE A 113 -7.913 5.551 -11.910 1.00 0.00 C ATOM 1686 CG PHE A 113 -9.269 4.969 -12.342 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -9.346 3.817 -13.148 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -10.462 5.618 -11.964 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -10.595 3.331 -13.558 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -11.700 5.126 -12.386 1.00 0.00 C ATOM 1691 CZ PHE A 113 -11.764 3.985 -13.182 1.00 0.00 C ATOM 0 H PHE A 113 -7.307 2.524 -10.820 1.00 0.00 H new ATOM 0 HA PHE A 113 -6.268 5.120 -10.498 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.057 6.568 -11.544 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -7.255 5.614 -12.777 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.443 3.308 -13.450 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -10.419 6.501 -11.344 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -10.650 2.443 -14.170 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -12.609 5.631 -12.094 1.00 0.00 H new ATOM 0 HZ PHE A 113 -12.722 3.607 -13.508 1.00 0.00 H new ATOM 1701 N CYS A 114 -7.621 4.598 -8.321 1.00 0.00 N ATOM 1702 CA CYS A 114 -8.542 4.633 -7.121 1.00 0.00 C ATOM 1703 C CYS A 114 -8.230 5.840 -6.235 1.00 0.00 C ATOM 1704 O CYS A 114 -7.244 6.529 -6.432 1.00 0.00 O ATOM 1705 CB CYS A 114 -8.434 3.337 -6.303 1.00 0.00 C ATOM 1706 SG CYS A 114 -6.814 3.224 -5.494 1.00 0.00 S ATOM 0 H CYS A 114 -6.627 4.504 -8.111 1.00 0.00 H new ATOM 0 HA CYS A 114 -9.564 4.723 -7.490 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -9.224 3.308 -5.552 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -8.582 2.476 -6.955 1.00 0.00 H new ATOM 1711 N LEU A 115 -9.094 6.098 -5.267 1.00 0.00 N ATOM 1712 CA LEU A 115 -8.915 7.267 -4.337 1.00 0.00 C ATOM 1713 C LEU A 115 -9.259 8.560 -5.085 1.00 0.00 C ATOM 1714 O LEU A 115 -8.532 8.976 -5.967 1.00 0.00 O ATOM 1715 CB LEU A 115 -7.467 7.336 -3.828 1.00 0.00 C ATOM 1716 CG LEU A 115 -7.439 7.974 -2.434 1.00 0.00 C ATOM 1717 CD1 LEU A 115 -7.396 6.874 -1.369 1.00 0.00 C ATOM 1718 CD2 LEU A 115 -6.196 8.865 -2.303 1.00 0.00 C ATOM 0 H LEU A 115 -9.926 5.537 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.577 7.144 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -7.037 6.335 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.856 7.919 -4.518 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.335 8.579 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.376 7.328 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.280 6.243 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.501 6.267 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.176 9.319 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.299 8.262 -2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.229 9.649 -3.060 1.00 0.00 H new ATOM 1730 N SER A 116 -10.373 9.181 -4.727 1.00 0.00 N ATOM 1731 CA SER A 116 -10.841 10.460 -5.385 1.00 0.00 C ATOM 1732 C SER A 116 -11.587 10.132 -6.685 1.00 0.00 C ATOM 1733 O SER A 116 -12.792 10.304 -6.769 1.00 0.00 O ATOM 1734 CB SER A 116 -9.663 11.400 -5.686 1.00 0.00 C ATOM 1735 OG SER A 116 -10.109 12.749 -5.628 1.00 0.00 O ATOM 0 H SER A 116 -10.991 8.845 -3.988 1.00 0.00 H new ATOM 0 HA SER A 116 -11.512 10.969 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.861 11.239 -4.965 1.00 0.00 H new ATOM 0 HB3 SER A 116 -9.253 11.183 -6.672 1.00 0.00 H new ATOM 0 HG SER A 116 -9.359 13.350 -5.818 1.00 0.00 H new ATOM 1741 N LEU A 117 -10.878 9.661 -7.692 1.00 0.00 N ATOM 1742 CA LEU A 117 -11.515 9.306 -9.006 1.00 0.00 C ATOM 1743 C LEU A 117 -11.997 10.594 -9.704 1.00 0.00 C ATOM 1744 O LEU A 117 -11.474 11.663 -9.433 1.00 0.00 O ATOM 1745 CB LEU A 117 -12.688 8.331 -8.765 1.00 0.00 C ATOM 1746 CG LEU A 117 -12.334 6.963 -9.354 1.00 0.00 C ATOM 1747 CD1 LEU A 117 -11.186 6.361 -8.557 1.00 0.00 C ATOM 1748 CD2 LEU A 117 -13.533 6.017 -9.279 1.00 0.00 C ATOM 0 H LEU A 117 -9.870 9.506 -7.656 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.789 8.813 -9.653 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -12.888 8.240 -7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -13.597 8.715 -9.228 1.00 0.00 H new ATOM 0 HG LEU A 117 -12.050 7.095 -10.398 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -10.928 5.386 -8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -10.319 7.020 -8.613 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -11.487 6.245 -7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -13.261 5.050 -9.703 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -13.829 5.887 -8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -14.365 6.439 -9.843 1.00 0.00 H new ATOM 1760 N LEU A 118 -12.969 10.506 -10.609 1.00 0.00 N ATOM 1761 CA LEU A 118 -13.463 11.724 -11.337 1.00 0.00 C ATOM 1762 C LEU A 118 -13.733 12.922 -10.398 1.00 0.00 C ATOM 1763 O LEU A 118 -13.764 14.051 -10.862 1.00 0.00 O ATOM 1764 CB LEU A 118 -14.735 11.382 -12.129 1.00 0.00 C ATOM 1765 CG LEU A 118 -14.349 10.726 -13.464 1.00 0.00 C ATOM 1766 CD1 LEU A 118 -14.556 9.212 -13.374 1.00 0.00 C ATOM 1767 CD2 LEU A 118 -15.223 11.291 -14.587 1.00 0.00 C ATOM 0 H LEU A 118 -13.435 9.637 -10.868 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.668 12.029 -12.018 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -15.366 10.708 -11.550 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -15.317 12.286 -12.311 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.301 10.937 -13.676 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.281 8.750 -14.322 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.931 8.806 -12.578 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -15.603 9.000 -13.157 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.947 10.824 -15.533 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -16.271 11.083 -14.372 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -15.074 12.368 -14.657 1.00 0.00 H new ATOM 1779 N GLY A 119 -13.918 12.704 -9.105 1.00 0.00 N ATOM 1780 CA GLY A 119 -14.176 13.842 -8.162 1.00 0.00 C ATOM 1781 C GLY A 119 -15.488 14.537 -8.533 1.00 0.00 C ATOM 1782 O GLY A 119 -15.607 15.120 -9.598 1.00 0.00 O ATOM 0 H GLY A 119 -13.900 11.782 -8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -14.227 13.473 -7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -13.352 14.555 -8.204 1.00 0.00 H new ATOM 1786 N ALA A 120 -16.464 14.480 -7.652 1.00 0.00 N ATOM 1787 CA ALA A 120 -17.784 15.133 -7.917 1.00 0.00 C ATOM 1788 C ALA A 120 -17.929 16.363 -7.007 1.00 0.00 C ATOM 1789 O ALA A 120 -18.767 16.412 -6.116 1.00 0.00 O ATOM 1790 CB ALA A 120 -18.906 14.125 -7.651 1.00 0.00 C ATOM 0 H ALA A 120 -16.398 14.003 -6.753 1.00 0.00 H new ATOM 0 HA ALA A 120 -17.845 15.457 -8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -19.871 14.595 -7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -18.785 13.264 -8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -18.862 13.797 -6.612 1.00 0.00 H new ATOM 1796 N GLY A 121 -17.105 17.357 -7.243 1.00 0.00 N ATOM 1797 CA GLY A 121 -17.150 18.610 -6.428 1.00 0.00 C ATOM 1798 C GLY A 121 -18.521 19.278 -6.582 1.00 0.00 C ATOM 1799 O GLY A 121 -18.926 20.063 -5.739 1.00 0.00 O ATOM 0 H GLY A 121 -16.395 17.351 -7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -16.963 18.380 -5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -16.364 19.293 -6.750 1.00 0.00 H new ATOM 1803 N GLU A 122 -19.231 18.973 -7.654 1.00 0.00 N ATOM 1804 CA GLU A 122 -20.580 19.585 -7.885 1.00 0.00 C ATOM 1805 C GLU A 122 -21.650 18.489 -7.978 1.00 0.00 C ATOM 1806 O GLU A 122 -21.332 17.341 -7.704 1.00 0.00 O ATOM 1807 CB GLU A 122 -20.554 20.382 -9.190 1.00 0.00 C ATOM 1808 CG GLU A 122 -19.419 21.405 -9.137 1.00 0.00 C ATOM 1809 CD GLU A 122 -19.535 22.363 -10.324 1.00 0.00 C ATOM 1810 OE1 GLU A 122 -19.349 21.913 -11.442 1.00 0.00 O ATOM 1811 OE2 GLU A 122 -19.809 23.528 -10.095 1.00 0.00 O ATOM 1812 OXT GLU A 122 -22.773 18.818 -8.321 1.00 0.00 O ATOM 0 H GLU A 122 -18.927 18.323 -8.379 1.00 0.00 H new ATOM 0 HA GLU A 122 -20.821 20.245 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -20.414 19.710 -10.037 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -21.508 20.888 -9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -19.462 21.963 -8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -18.456 20.896 -9.161 1.00 0.00 H new TER 1819 GLU A 122