USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 733 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 73 LYS NZ :NH3+ -145:sc= 0.256 (180deg=0) USER MOD Set 1.2: A 75 TYR OH : rot -15:sc= -0.12 USER MOD Set 2.1: A 30 THR OG1 : rot -33:sc= -0.461! USER MOD Set 2.2: A 32 GLN :FLIP amide:sc= -3.28! C(o=-5.6!,f=-3.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -60:sc= 0.873 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -120:sc= -0.557 (180deg=-2.21!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.657 F(o=-1.5!,f=-0.66) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 29 LYS NZ :NH3+ 144:sc= -2.94! (180deg=-4.9!) USER MOD Single : A 33 ASN :FLIP amide:sc= -1.3 F(o=-4.1!,f=-1.3) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -164:sc= -0.744 (180deg=-0.871) USER MOD Single : A 45 SER OG : rot 180:sc= 0.187 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.0382 F(o=-0.65,f=-0.038) USER MOD Single : A 58 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.42) USER MOD Single : A 70 HIS : no HD1:sc= -0.375 X(o=-0.37,f=-0.54) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= -0.717 (180deg=-1.58!) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.0146 F(o=-4.7!,f=-0.015) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0133 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.1!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 100 HIS : no HE2:sc= 0.00501! C(o=0.005!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 63.338 -5.761 -27.752 1.00 0.00 N ATOM 2 CA GLY A 1 64.216 -5.444 -26.590 1.00 0.00 C ATOM 3 C GLY A 1 63.863 -4.065 -26.047 1.00 0.00 C ATOM 4 O GLY A 1 62.949 -3.921 -25.234 1.00 0.00 O ATOM 0 H1 GLY A 1 63.579 -6.702 -28.123 1.00 0.00 H new ATOM 0 H2 GLY A 1 62.343 -5.753 -27.448 1.00 0.00 H new ATOM 0 H3 GLY A 1 63.478 -5.049 -28.497 1.00 0.00 H new ATOM 0 HA2 GLY A 1 64.092 -6.196 -25.811 1.00 0.00 H new ATOM 0 HA3 GLY A 1 65.263 -5.470 -26.894 1.00 0.00 H new ATOM 10 N ALA A 2 64.588 -3.053 -26.506 1.00 0.00 N ATOM 11 CA ALA A 2 64.345 -1.686 -26.065 1.00 0.00 C ATOM 12 C ALA A 2 64.639 -1.549 -24.572 1.00 0.00 C ATOM 13 O ALA A 2 65.157 -2.471 -23.942 1.00 0.00 O ATOM 14 CB ALA A 2 62.884 -1.294 -26.369 1.00 0.00 C ATOM 0 H ALA A 2 65.346 -3.152 -27.181 1.00 0.00 H new ATOM 0 HA ALA A 2 65.010 -1.013 -26.606 1.00 0.00 H new ATOM 0 HB1 ALA A 2 62.705 -0.271 -26.038 1.00 0.00 H new ATOM 0 HB2 ALA A 2 62.704 -1.365 -27.442 1.00 0.00 H new ATOM 0 HB3 ALA A 2 62.209 -1.969 -25.842 1.00 0.00 H new ATOM 20 N MET A 3 64.308 -0.387 -24.014 1.00 0.00 N ATOM 21 CA MET A 3 64.540 -0.126 -22.591 1.00 0.00 C ATOM 22 C MET A 3 63.312 0.532 -21.970 1.00 0.00 C ATOM 23 O MET A 3 62.751 1.477 -22.527 1.00 0.00 O ATOM 24 CB MET A 3 65.780 0.775 -22.433 1.00 0.00 C ATOM 25 CG MET A 3 66.210 0.917 -20.958 1.00 0.00 C ATOM 26 SD MET A 3 66.321 -0.699 -20.134 1.00 0.00 S ATOM 27 CE MET A 3 68.050 -1.069 -20.519 1.00 0.00 C ATOM 0 H MET A 3 63.880 0.388 -24.521 1.00 0.00 H new ATOM 0 HA MET A 3 64.718 -1.068 -22.072 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.605 0.360 -23.012 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.566 1.761 -22.844 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.176 1.419 -20.907 1.00 0.00 H new ATOM 0 HG3 MET A 3 65.495 1.547 -20.429 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.318 -2.036 -20.094 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.184 -1.098 -21.600 1.00 0.00 H new ATOM 0 HE3 MET A 3 68.691 -0.296 -20.095 1.00 0.00 H new ATOM 37 N GLY A 4 62.883 0.005 -20.828 1.00 0.00 N ATOM 38 CA GLY A 4 61.704 0.523 -20.148 1.00 0.00 C ATOM 39 C GLY A 4 61.878 1.993 -19.785 1.00 0.00 C ATOM 40 O GLY A 4 60.897 2.691 -19.532 1.00 0.00 O ATOM 0 H GLY A 4 63.334 -0.779 -20.356 1.00 0.00 H new ATOM 0 HA2 GLY A 4 60.830 0.405 -20.789 1.00 0.00 H new ATOM 0 HA3 GLY A 4 61.518 -0.058 -19.245 1.00 0.00 H new ATOM 44 N SER A 5 63.139 2.440 -19.750 1.00 0.00 N ATOM 45 CA SER A 5 63.480 3.828 -19.407 1.00 0.00 C ATOM 46 C SER A 5 62.417 4.441 -18.488 1.00 0.00 C ATOM 47 O SER A 5 61.580 5.240 -18.910 1.00 0.00 O ATOM 48 CB SER A 5 63.654 4.653 -20.699 1.00 0.00 C ATOM 49 OG SER A 5 62.976 5.901 -20.586 1.00 0.00 O ATOM 0 H SER A 5 63.948 1.855 -19.957 1.00 0.00 H new ATOM 0 HA SER A 5 64.423 3.839 -18.860 1.00 0.00 H new ATOM 0 HB2 SER A 5 64.714 4.823 -20.889 1.00 0.00 H new ATOM 0 HB3 SER A 5 63.263 4.095 -21.550 1.00 0.00 H new ATOM 0 HG SER A 5 62.022 5.742 -20.430 1.00 0.00 H new ATOM 55 N CYS A 6 62.426 4.006 -17.235 1.00 0.00 N ATOM 56 CA CYS A 6 61.440 4.466 -16.267 1.00 0.00 C ATOM 57 C CYS A 6 60.034 4.124 -16.739 1.00 0.00 C ATOM 58 O CYS A 6 59.567 4.635 -17.757 1.00 0.00 O ATOM 59 CB CYS A 6 61.539 5.975 -16.066 1.00 0.00 C ATOM 60 SG CYS A 6 63.262 6.457 -15.806 1.00 0.00 S ATOM 0 H CYS A 6 63.103 3.338 -16.866 1.00 0.00 H new ATOM 0 HA CYS A 6 61.644 3.963 -15.322 1.00 0.00 H new ATOM 0 HB2 CYS A 6 61.136 6.493 -16.937 1.00 0.00 H new ATOM 0 HB3 CYS A 6 60.936 6.276 -15.209 1.00 0.00 H new ATOM 65 N ARG A 7 59.362 3.271 -15.980 1.00 0.00 N ATOM 66 CA ARG A 7 57.998 2.875 -16.304 1.00 0.00 C ATOM 67 C ARG A 7 57.007 3.967 -15.863 1.00 0.00 C ATOM 68 O ARG A 7 56.251 4.472 -16.692 1.00 0.00 O ATOM 69 CB ARG A 7 57.650 1.502 -15.656 1.00 0.00 C ATOM 70 CG ARG A 7 58.900 0.883 -15.006 1.00 0.00 C ATOM 71 CD ARG A 7 58.653 -0.605 -14.687 1.00 0.00 C ATOM 72 NE ARG A 7 57.213 -0.887 -14.628 1.00 0.00 N ATOM 73 CZ ARG A 7 56.648 -1.907 -15.287 1.00 0.00 C ATOM 74 NH1 ARG A 7 57.367 -2.720 -16.017 1.00 0.00 N ATOM 75 NH2 ARG A 7 55.360 -2.096 -15.195 1.00 0.00 N1+ ATOM 0 H ARG A 7 59.738 2.840 -15.136 1.00 0.00 H new ATOM 0 HA ARG A 7 57.917 2.758 -17.385 1.00 0.00 H new ATOM 0 HB2 ARG A 7 56.870 1.634 -14.906 1.00 0.00 H new ATOM 0 HB3 ARG A 7 57.253 0.826 -16.413 1.00 0.00 H new ATOM 0 HG2 ARG A 7 59.754 0.982 -15.676 1.00 0.00 H new ATOM 0 HG3 ARG A 7 59.148 1.422 -14.092 1.00 0.00 H new ATOM 0 HD2 ARG A 7 59.121 -1.229 -15.449 1.00 0.00 H new ATOM 0 HD3 ARG A 7 59.119 -0.861 -13.735 1.00 0.00 H new ATOM 0 HE ARG A 7 56.619 -0.281 -14.062 1.00 0.00 H new ATOM 0 HH11 ARG A 7 58.375 -2.582 -16.091 1.00 0.00 H new ATOM 0 HH12 ARG A 7 56.920 -3.492 -16.512 1.00 0.00 H new ATOM 0 HH21 ARG A 7 54.792 -1.469 -14.625 1.00 0.00 H new ATOM 0 HH22 ARG A 7 54.921 -2.870 -15.693 1.00 0.00 H new ATOM 89 N PRO A 8 56.997 4.356 -14.597 1.00 0.00 N ATOM 90 CA PRO A 8 56.068 5.427 -14.095 1.00 0.00 C ATOM 91 C PRO A 8 56.377 6.789 -14.737 1.00 0.00 C ATOM 92 O PRO A 8 57.428 7.367 -14.466 1.00 0.00 O ATOM 93 CB PRO A 8 56.350 5.471 -12.579 1.00 0.00 C ATOM 94 CG PRO A 8 57.735 4.947 -12.449 1.00 0.00 C ATOM 95 CD PRO A 8 57.848 3.848 -13.499 1.00 0.00 C ATOM 0 HA PRO A 8 55.026 5.216 -14.336 1.00 0.00 H new ATOM 0 HB2 PRO A 8 56.270 6.486 -12.189 1.00 0.00 H new ATOM 0 HB3 PRO A 8 55.639 4.859 -12.024 1.00 0.00 H new ATOM 0 HG2 PRO A 8 58.471 5.733 -12.621 1.00 0.00 H new ATOM 0 HG3 PRO A 8 57.915 4.555 -11.448 1.00 0.00 H new ATOM 0 HD2 PRO A 8 58.879 3.701 -13.821 1.00 0.00 H new ATOM 0 HD3 PRO A 8 57.492 2.889 -13.121 1.00 0.00 H new ATOM 103 N PRO A 9 55.507 7.326 -15.568 1.00 0.00 N ATOM 104 CA PRO A 9 55.765 8.641 -16.206 1.00 0.00 C ATOM 105 C PRO A 9 55.427 9.803 -15.271 1.00 0.00 C ATOM 106 O PRO A 9 54.277 9.963 -14.858 1.00 0.00 O ATOM 107 CB PRO A 9 54.856 8.633 -17.442 1.00 0.00 C ATOM 108 CG PRO A 9 53.719 7.702 -17.106 1.00 0.00 C ATOM 109 CD PRO A 9 54.208 6.760 -15.987 1.00 0.00 C ATOM 0 HA PRO A 9 56.816 8.781 -16.457 1.00 0.00 H new ATOM 0 HB2 PRO A 9 54.489 9.635 -17.665 1.00 0.00 H new ATOM 0 HB3 PRO A 9 55.397 8.289 -18.323 1.00 0.00 H new ATOM 0 HG2 PRO A 9 52.846 8.266 -16.778 1.00 0.00 H new ATOM 0 HG3 PRO A 9 53.419 7.131 -17.984 1.00 0.00 H new ATOM 0 HD2 PRO A 9 53.502 6.730 -15.157 1.00 0.00 H new ATOM 0 HD3 PRO A 9 54.319 5.738 -16.349 1.00 0.00 H new ATOM 117 N MET A 10 56.436 10.611 -14.934 1.00 0.00 N ATOM 118 CA MET A 10 56.251 11.764 -14.048 1.00 0.00 C ATOM 119 C MET A 10 56.799 13.018 -14.730 1.00 0.00 C ATOM 120 O MET A 10 56.113 14.034 -14.833 1.00 0.00 O ATOM 121 CB MET A 10 56.984 11.507 -12.712 1.00 0.00 C ATOM 122 CG MET A 10 56.245 12.166 -11.534 1.00 0.00 C ATOM 123 SD MET A 10 56.501 13.959 -11.575 1.00 0.00 S ATOM 124 CE MET A 10 55.614 14.363 -10.045 1.00 0.00 C ATOM 0 H MET A 10 57.394 10.487 -15.263 1.00 0.00 H new ATOM 0 HA MET A 10 55.191 11.911 -13.842 1.00 0.00 H new ATOM 0 HB2 MET A 10 57.064 10.434 -12.539 1.00 0.00 H new ATOM 0 HB3 MET A 10 58.000 11.897 -12.771 1.00 0.00 H new ATOM 0 HG2 MET A 10 55.180 11.940 -11.589 1.00 0.00 H new ATOM 0 HG3 MET A 10 56.609 11.759 -10.591 1.00 0.00 H new ATOM 0 HE1 MET A 10 55.650 15.439 -9.877 1.00 0.00 H new ATOM 0 HE2 MET A 10 54.576 14.043 -10.131 1.00 0.00 H new ATOM 0 HE3 MET A 10 56.083 13.849 -9.206 1.00 0.00 H new ATOM 134 N VAL A 11 58.047 12.928 -15.198 1.00 0.00 N ATOM 135 CA VAL A 11 58.696 14.050 -15.883 1.00 0.00 C ATOM 136 C VAL A 11 59.261 13.601 -17.234 1.00 0.00 C ATOM 137 O VAL A 11 59.615 12.436 -17.417 1.00 0.00 O ATOM 138 CB VAL A 11 59.834 14.613 -15.009 1.00 0.00 C ATOM 139 CG1 VAL A 11 59.246 15.310 -13.755 1.00 0.00 C ATOM 140 CG2 VAL A 11 60.805 13.470 -14.583 1.00 0.00 C ATOM 0 H VAL A 11 58.627 12.093 -15.116 1.00 0.00 H new ATOM 0 HA VAL A 11 57.951 14.827 -16.054 1.00 0.00 H new ATOM 0 HB VAL A 11 60.393 15.346 -15.591 1.00 0.00 H new ATOM 0 HG11 VAL A 11 60.058 15.704 -13.144 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.595 16.127 -14.065 1.00 0.00 H new ATOM 0 HG13 VAL A 11 58.672 14.589 -13.174 1.00 0.00 H new ATOM 0 HG21 VAL A 11 61.604 13.882 -13.966 1.00 0.00 H new ATOM 0 HG22 VAL A 11 60.256 12.720 -14.013 1.00 0.00 H new ATOM 0 HG23 VAL A 11 61.235 13.008 -15.472 1.00 0.00 H new ATOM 150 N LYS A 12 59.339 14.547 -18.173 1.00 0.00 N ATOM 151 CA LYS A 12 59.859 14.273 -19.523 1.00 0.00 C ATOM 152 C LYS A 12 61.098 15.132 -19.812 1.00 0.00 C ATOM 153 O LYS A 12 61.234 16.243 -19.299 1.00 0.00 O ATOM 154 CB LYS A 12 58.755 14.546 -20.583 1.00 0.00 C ATOM 155 CG LYS A 12 57.688 15.509 -20.010 1.00 0.00 C ATOM 156 CD LYS A 12 56.970 16.308 -21.121 1.00 0.00 C ATOM 157 CE LYS A 12 56.641 15.437 -22.348 1.00 0.00 C ATOM 158 NZ LYS A 12 57.716 15.591 -23.372 1.00 0.00 N1+ ATOM 0 H LYS A 12 59.049 15.514 -18.026 1.00 0.00 H new ATOM 0 HA LYS A 12 60.151 13.224 -19.576 1.00 0.00 H new ATOM 0 HB2 LYS A 12 59.200 14.977 -21.479 1.00 0.00 H new ATOM 0 HB3 LYS A 12 58.286 13.608 -20.880 1.00 0.00 H new ATOM 0 HG2 LYS A 12 56.953 14.939 -19.442 1.00 0.00 H new ATOM 0 HG3 LYS A 12 58.162 16.202 -19.314 1.00 0.00 H new ATOM 0 HD2 LYS A 12 56.049 16.733 -20.722 1.00 0.00 H new ATOM 0 HD3 LYS A 12 57.599 17.143 -21.429 1.00 0.00 H new ATOM 0 HE2 LYS A 12 56.553 14.392 -22.052 1.00 0.00 H new ATOM 0 HE3 LYS A 12 55.679 15.731 -22.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 57.306 15.964 -24.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 58.439 16.251 -23.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 58.153 14.666 -23.558 1.00 0.00 H new ATOM 172 N LEU A 13 62.001 14.591 -20.637 1.00 0.00 N ATOM 173 CA LEU A 13 63.237 15.292 -21.011 1.00 0.00 C ATOM 174 C LEU A 13 63.355 15.396 -22.531 1.00 0.00 C ATOM 175 O LEU A 13 63.289 14.388 -23.236 1.00 0.00 O ATOM 176 CB LEU A 13 64.460 14.534 -20.455 1.00 0.00 C ATOM 177 CG LEU A 13 64.640 14.799 -18.931 1.00 0.00 C ATOM 178 CD1 LEU A 13 64.008 13.669 -18.113 1.00 0.00 C ATOM 179 CD2 LEU A 13 66.133 14.877 -18.590 1.00 0.00 C ATOM 0 H LEU A 13 61.900 13.668 -21.060 1.00 0.00 H new ATOM 0 HA LEU A 13 63.205 16.296 -20.588 1.00 0.00 H new ATOM 0 HB2 LEU A 13 64.339 13.465 -20.629 1.00 0.00 H new ATOM 0 HB3 LEU A 13 65.358 14.844 -20.990 1.00 0.00 H new ATOM 0 HG LEU A 13 64.150 15.742 -18.687 1.00 0.00 H new ATOM 0 HD11 LEU A 13 64.143 13.870 -17.050 1.00 0.00 H new ATOM 0 HD12 LEU A 13 62.943 13.608 -18.339 1.00 0.00 H new ATOM 0 HD13 LEU A 13 64.487 12.724 -18.367 1.00 0.00 H new ATOM 0 HD21 LEU A 13 66.253 15.063 -17.523 1.00 0.00 H new ATOM 0 HD22 LEU A 13 66.616 13.935 -18.851 1.00 0.00 H new ATOM 0 HD23 LEU A 13 66.593 15.689 -19.153 1.00 0.00 H new ATOM 191 N VAL A 14 63.553 16.619 -23.029 1.00 0.00 N ATOM 192 CA VAL A 14 63.706 16.845 -24.461 1.00 0.00 C ATOM 193 C VAL A 14 65.160 16.578 -24.886 1.00 0.00 C ATOM 194 O VAL A 14 65.999 17.474 -24.908 1.00 0.00 O ATOM 195 CB VAL A 14 63.257 18.288 -24.797 1.00 0.00 C ATOM 196 CG1 VAL A 14 63.955 19.316 -23.899 1.00 0.00 C ATOM 197 CG2 VAL A 14 63.531 18.617 -26.271 1.00 0.00 C ATOM 0 H VAL A 14 63.610 17.464 -22.460 1.00 0.00 H new ATOM 0 HA VAL A 14 63.076 16.154 -25.021 1.00 0.00 H new ATOM 0 HB VAL A 14 62.184 18.343 -24.614 1.00 0.00 H new ATOM 0 HG11 VAL A 14 63.617 20.318 -24.162 1.00 0.00 H new ATOM 0 HG12 VAL A 14 63.712 19.113 -22.856 1.00 0.00 H new ATOM 0 HG13 VAL A 14 65.034 19.249 -24.039 1.00 0.00 H new ATOM 0 HG21 VAL A 14 63.207 19.636 -26.483 1.00 0.00 H new ATOM 0 HG22 VAL A 14 64.599 18.527 -26.472 1.00 0.00 H new ATOM 0 HG23 VAL A 14 62.982 17.922 -26.907 1.00 0.00 H new ATOM 207 N CYS A 15 65.457 15.323 -25.200 1.00 0.00 N ATOM 208 CA CYS A 15 66.815 14.951 -25.593 1.00 0.00 C ATOM 209 C CYS A 15 67.333 15.928 -26.673 1.00 0.00 C ATOM 210 O CYS A 15 66.736 16.014 -27.746 1.00 0.00 O ATOM 211 CB CYS A 15 66.817 13.480 -26.103 1.00 0.00 C ATOM 212 SG CYS A 15 67.390 13.358 -27.823 1.00 0.00 S ATOM 0 H CYS A 15 64.788 14.553 -25.192 1.00 0.00 H new ATOM 0 HA CYS A 15 67.485 15.017 -24.736 1.00 0.00 H new ATOM 0 HB2 CYS A 15 67.459 12.875 -25.463 1.00 0.00 H new ATOM 0 HB3 CYS A 15 65.811 13.068 -26.026 1.00 0.00 H new ATOM 217 N PRO A 16 68.413 16.658 -26.442 1.00 0.00 N ATOM 218 CA PRO A 16 68.940 17.600 -27.469 1.00 0.00 C ATOM 219 C PRO A 16 69.664 16.843 -28.579 1.00 0.00 C ATOM 220 O PRO A 16 70.415 15.906 -28.313 1.00 0.00 O ATOM 221 CB PRO A 16 69.890 18.507 -26.682 1.00 0.00 C ATOM 222 CG PRO A 16 70.374 17.665 -25.542 1.00 0.00 C ATOM 223 CD PRO A 16 69.243 16.673 -25.218 1.00 0.00 C ATOM 0 HA PRO A 16 68.157 18.167 -27.972 1.00 0.00 H new ATOM 0 HB2 PRO A 16 70.719 18.844 -27.304 1.00 0.00 H new ATOM 0 HB3 PRO A 16 69.377 19.400 -26.324 1.00 0.00 H new ATOM 0 HG2 PRO A 16 71.288 17.136 -25.812 1.00 0.00 H new ATOM 0 HG3 PRO A 16 70.607 18.283 -24.675 1.00 0.00 H new ATOM 0 HD2 PRO A 16 69.635 15.682 -24.991 1.00 0.00 H new ATOM 0 HD3 PRO A 16 68.667 16.995 -24.350 1.00 0.00 H new ATOM 231 N ALA A 17 69.409 17.236 -29.824 1.00 0.00 N ATOM 232 CA ALA A 17 70.015 16.572 -30.979 1.00 0.00 C ATOM 233 C ALA A 17 70.978 17.492 -31.704 1.00 0.00 C ATOM 234 O ALA A 17 71.636 17.074 -32.656 1.00 0.00 O ATOM 235 CB ALA A 17 68.915 16.154 -31.952 1.00 0.00 C ATOM 0 H ALA A 17 68.788 18.010 -30.061 1.00 0.00 H new ATOM 0 HA ALA A 17 70.566 15.703 -30.619 1.00 0.00 H new ATOM 0 HB1 ALA A 17 69.361 15.659 -32.814 1.00 0.00 H new ATOM 0 HB2 ALA A 17 68.230 15.468 -31.454 1.00 0.00 H new ATOM 0 HB3 ALA A 17 68.368 17.036 -32.283 1.00 0.00 H new ATOM 241 N ASP A 18 71.026 18.754 -31.307 1.00 0.00 N ATOM 242 CA ASP A 18 71.877 19.706 -31.998 1.00 0.00 C ATOM 243 C ASP A 18 73.361 19.415 -31.741 1.00 0.00 C ATOM 244 O ASP A 18 74.220 19.874 -32.491 1.00 0.00 O ATOM 245 CB ASP A 18 71.528 21.135 -31.566 1.00 0.00 C ATOM 246 CG ASP A 18 70.199 21.570 -32.171 1.00 0.00 C ATOM 247 OD1 ASP A 18 69.192 20.974 -31.826 1.00 0.00 O1- ATOM 248 OD2 ASP A 18 70.204 22.499 -32.961 1.00 0.00 O ATOM 0 H ASP A 18 70.496 19.137 -30.524 1.00 0.00 H new ATOM 0 HA ASP A 18 71.699 19.606 -33.069 1.00 0.00 H new ATOM 0 HB2 ASP A 18 71.473 21.189 -30.479 1.00 0.00 H new ATOM 0 HB3 ASP A 18 72.317 21.818 -31.880 1.00 0.00 H new ATOM 253 N ASN A 19 73.645 18.625 -30.700 1.00 0.00 N ATOM 254 CA ASN A 19 75.028 18.237 -30.360 1.00 0.00 C ATOM 255 C ASN A 19 75.731 19.281 -29.482 1.00 0.00 C ATOM 256 O ASN A 19 76.959 19.343 -29.466 1.00 0.00 O ATOM 257 CB ASN A 19 75.862 18.011 -31.641 1.00 0.00 C ATOM 258 CG ASN A 19 77.025 17.050 -31.373 1.00 0.00 C ATOM 259 OD1 ASN A 19 77.518 16.950 -30.168 1.00 0.00 O flip ATOM 260 ND2 ASN A 19 77.500 16.379 -32.289 1.00 0.00 N flip ATOM 0 H ASN A 19 72.938 18.239 -30.074 1.00 0.00 H new ATOM 0 HA ASN A 19 74.957 17.309 -29.793 1.00 0.00 H new ATOM 0 HB2 ASN A 19 75.225 17.607 -32.428 1.00 0.00 H new ATOM 0 HB3 ASN A 19 76.248 18.964 -32.001 1.00 0.00 H new ATOM 0 HD21 ASN A 19 77.115 16.457 -33.231 1.00 0.00 H new ATOM 0 HD22 ASN A 19 78.278 15.745 -32.107 1.00 0.00 H new ATOM 267 N LEU A 20 74.969 20.079 -28.729 1.00 0.00 N ATOM 268 CA LEU A 20 75.588 21.083 -27.839 1.00 0.00 C ATOM 269 C LEU A 20 75.974 20.459 -26.502 1.00 0.00 C ATOM 270 O LEU A 20 76.828 20.980 -25.784 1.00 0.00 O ATOM 271 CB LEU A 20 74.668 22.282 -27.529 1.00 0.00 C ATOM 272 CG LEU A 20 73.378 21.825 -26.806 1.00 0.00 C ATOM 273 CD1 LEU A 20 72.548 23.056 -26.382 1.00 0.00 C ATOM 274 CD2 LEU A 20 72.547 20.921 -27.738 1.00 0.00 C ATOM 0 H LEU A 20 73.949 20.058 -28.711 1.00 0.00 H new ATOM 0 HA LEU A 20 76.462 21.440 -28.384 1.00 0.00 H new ATOM 0 HB2 LEU A 20 75.201 23.002 -26.908 1.00 0.00 H new ATOM 0 HB3 LEU A 20 74.407 22.793 -28.456 1.00 0.00 H new ATOM 0 HG LEU A 20 73.650 21.259 -25.915 1.00 0.00 H new ATOM 0 HD11 LEU A 20 71.642 22.726 -25.874 1.00 0.00 H new ATOM 0 HD12 LEU A 20 73.137 23.677 -25.707 1.00 0.00 H new ATOM 0 HD13 LEU A 20 72.278 23.635 -27.265 1.00 0.00 H new ATOM 0 HD21 LEU A 20 71.641 20.603 -27.223 1.00 0.00 H new ATOM 0 HD22 LEU A 20 72.278 21.475 -28.637 1.00 0.00 H new ATOM 0 HD23 LEU A 20 73.134 20.045 -28.014 1.00 0.00 H new ATOM 286 N ARG A 21 75.263 19.395 -26.130 1.00 0.00 N ATOM 287 CA ARG A 21 75.451 18.748 -24.823 1.00 0.00 C ATOM 288 C ARG A 21 76.288 17.473 -24.958 1.00 0.00 C ATOM 289 O ARG A 21 75.836 16.390 -24.609 1.00 0.00 O ATOM 290 CB ARG A 21 74.053 18.461 -24.177 1.00 0.00 C ATOM 291 CG ARG A 21 73.869 19.222 -22.830 1.00 0.00 C ATOM 292 CD ARG A 21 74.420 18.393 -21.643 1.00 0.00 C ATOM 293 NE ARG A 21 75.182 19.252 -20.739 1.00 0.00 N ATOM 294 CZ ARG A 21 74.582 20.087 -19.895 1.00 0.00 C ATOM 295 NH1 ARG A 21 73.280 20.146 -19.841 1.00 0.00 N ATOM 296 NH2 ARG A 21 75.302 20.847 -19.114 1.00 0.00 N1+ ATOM 0 H ARG A 21 74.549 18.959 -26.714 1.00 0.00 H new ATOM 0 HA ARG A 21 76.003 19.419 -24.165 1.00 0.00 H new ATOM 0 HB2 ARG A 21 73.265 18.755 -24.871 1.00 0.00 H new ATOM 0 HB3 ARG A 21 73.945 17.390 -24.007 1.00 0.00 H new ATOM 0 HG2 ARG A 21 74.383 20.182 -22.877 1.00 0.00 H new ATOM 0 HG3 ARG A 21 72.812 19.434 -22.670 1.00 0.00 H new ATOM 0 HD2 ARG A 21 73.597 17.925 -21.104 1.00 0.00 H new ATOM 0 HD3 ARG A 21 75.056 17.589 -22.015 1.00 0.00 H new ATOM 0 HE ARG A 21 76.201 19.210 -20.756 1.00 0.00 H new ATOM 0 HH11 ARG A 21 72.717 19.550 -20.448 1.00 0.00 H new ATOM 0 HH12 ARG A 21 72.825 20.788 -19.192 1.00 0.00 H new ATOM 0 HH21 ARG A 21 76.320 20.799 -19.153 1.00 0.00 H new ATOM 0 HH22 ARG A 21 74.846 21.489 -18.465 1.00 0.00 H new ATOM 310 N ALA A 22 77.527 17.627 -25.453 1.00 0.00 N ATOM 311 CA ALA A 22 78.457 16.494 -25.599 1.00 0.00 C ATOM 312 C ALA A 22 78.156 15.389 -24.584 1.00 0.00 C ATOM 313 O ALA A 22 78.121 14.218 -24.954 1.00 0.00 O ATOM 314 CB ALA A 22 79.905 16.976 -25.408 1.00 0.00 C ATOM 0 H ALA A 22 77.908 18.523 -25.758 1.00 0.00 H new ATOM 0 HA ALA A 22 78.329 16.086 -26.602 1.00 0.00 H new ATOM 0 HB1 ALA A 22 80.587 16.133 -25.517 1.00 0.00 H new ATOM 0 HB2 ALA A 22 80.139 17.731 -26.158 1.00 0.00 H new ATOM 0 HB3 ALA A 22 80.017 17.406 -24.413 1.00 0.00 H new ATOM 320 N GLU A 23 77.939 15.777 -23.323 1.00 0.00 N ATOM 321 CA GLU A 23 77.639 14.830 -22.242 1.00 0.00 C ATOM 322 C GLU A 23 78.605 13.641 -22.242 1.00 0.00 C ATOM 323 O GLU A 23 79.171 13.269 -23.265 1.00 0.00 O ATOM 324 CB GLU A 23 76.171 14.350 -22.295 1.00 0.00 C ATOM 325 CG GLU A 23 75.884 13.499 -23.540 1.00 0.00 C ATOM 326 CD GLU A 23 74.495 12.882 -23.428 1.00 0.00 C ATOM 327 OE1 GLU A 23 73.744 13.313 -22.566 1.00 0.00 O ATOM 328 OE2 GLU A 23 74.191 12.004 -24.218 1.00 0.00 O1- ATOM 0 H GLU A 23 77.966 16.752 -23.023 1.00 0.00 H new ATOM 0 HA GLU A 23 77.779 15.368 -21.304 1.00 0.00 H new ATOM 0 HB2 GLU A 23 75.948 13.769 -21.400 1.00 0.00 H new ATOM 0 HB3 GLU A 23 75.507 15.215 -22.287 1.00 0.00 H new ATOM 0 HG2 GLU A 23 75.948 14.115 -24.437 1.00 0.00 H new ATOM 0 HG3 GLU A 23 76.635 12.715 -23.638 1.00 0.00 H new ATOM 335 N GLY A 24 78.819 13.060 -21.069 1.00 0.00 N ATOM 336 CA GLY A 24 79.739 11.931 -20.950 1.00 0.00 C ATOM 337 C GLY A 24 79.014 10.621 -21.202 1.00 0.00 C ATOM 338 O GLY A 24 78.833 9.825 -20.284 1.00 0.00 O ATOM 0 H GLY A 24 78.376 13.345 -20.196 1.00 0.00 H new ATOM 0 HA2 GLY A 24 80.556 12.044 -21.663 1.00 0.00 H new ATOM 0 HA3 GLY A 24 80.184 11.921 -19.955 1.00 0.00 H new ATOM 342 N LEU A 25 78.596 10.424 -22.462 1.00 0.00 N ATOM 343 CA LEU A 25 77.863 9.220 -22.873 1.00 0.00 C ATOM 344 C LEU A 25 77.119 8.598 -21.685 1.00 0.00 C ATOM 345 O LEU A 25 77.599 7.640 -21.080 1.00 0.00 O ATOM 346 CB LEU A 25 78.819 8.171 -23.473 1.00 0.00 C ATOM 347 CG LEU A 25 79.821 8.787 -24.489 1.00 0.00 C ATOM 348 CD1 LEU A 25 79.137 9.832 -25.385 1.00 0.00 C ATOM 349 CD2 LEU A 25 81.034 9.417 -23.755 1.00 0.00 C ATOM 0 H LEU A 25 78.756 11.090 -23.218 1.00 0.00 H new ATOM 0 HA LEU A 25 77.140 9.523 -23.631 1.00 0.00 H new ATOM 0 HB2 LEU A 25 79.374 7.688 -22.668 1.00 0.00 H new ATOM 0 HB3 LEU A 25 78.236 7.395 -23.969 1.00 0.00 H new ATOM 0 HG LEU A 25 80.182 7.979 -25.126 1.00 0.00 H new ATOM 0 HD11 LEU A 25 79.865 10.244 -26.084 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.326 9.360 -25.941 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.734 10.634 -24.766 1.00 0.00 H new ATOM 0 HD21 LEU A 25 81.721 9.842 -24.487 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.686 10.203 -23.085 1.00 0.00 H new ATOM 0 HD23 LEU A 25 81.548 8.649 -23.177 1.00 0.00 H new ATOM 361 N GLU A 26 75.981 9.193 -21.326 1.00 0.00 N ATOM 362 CA GLU A 26 75.211 8.732 -20.172 1.00 0.00 C ATOM 363 C GLU A 26 74.608 7.342 -20.417 1.00 0.00 C ATOM 364 O GLU A 26 73.414 7.110 -20.249 1.00 0.00 O ATOM 365 CB GLU A 26 74.146 9.796 -19.802 1.00 0.00 C ATOM 366 CG GLU A 26 72.846 9.662 -20.622 1.00 0.00 C ATOM 367 CD GLU A 26 73.141 9.255 -22.064 1.00 0.00 C ATOM 368 OE1 GLU A 26 73.916 9.943 -22.707 1.00 0.00 O1- ATOM 369 OE2 GLU A 26 72.579 8.267 -22.507 1.00 0.00 O ATOM 0 H GLU A 26 75.574 9.991 -21.815 1.00 0.00 H new ATOM 0 HA GLU A 26 75.877 8.616 -19.317 1.00 0.00 H new ATOM 0 HB2 GLU A 26 73.910 9.711 -18.741 1.00 0.00 H new ATOM 0 HB3 GLU A 26 74.565 10.790 -19.957 1.00 0.00 H new ATOM 0 HG2 GLU A 26 72.195 8.921 -20.158 1.00 0.00 H new ATOM 0 HG3 GLU A 26 72.307 10.610 -20.612 1.00 0.00 H new ATOM 376 N CYS A 27 75.475 6.391 -20.755 1.00 0.00 N ATOM 377 CA CYS A 27 75.051 5.013 -20.972 1.00 0.00 C ATOM 378 C CYS A 27 75.128 4.241 -19.659 1.00 0.00 C ATOM 379 O CYS A 27 75.128 4.835 -18.581 1.00 0.00 O ATOM 380 CB CYS A 27 75.947 4.352 -22.022 1.00 0.00 C ATOM 381 SG CYS A 27 77.665 4.363 -21.451 1.00 0.00 S ATOM 0 H CYS A 27 76.474 6.550 -20.884 1.00 0.00 H new ATOM 0 HA CYS A 27 74.022 5.005 -21.331 1.00 0.00 H new ATOM 0 HB2 CYS A 27 75.620 3.328 -22.201 1.00 0.00 H new ATOM 0 HB3 CYS A 27 75.865 4.883 -22.970 1.00 0.00 H new ATOM 386 N THR A 28 75.212 2.919 -19.753 1.00 0.00 N ATOM 387 CA THR A 28 75.303 2.075 -18.559 1.00 0.00 C ATOM 388 C THR A 28 76.245 2.705 -17.531 1.00 0.00 C ATOM 389 O THR A 28 77.454 2.772 -17.753 1.00 0.00 O ATOM 390 CB THR A 28 75.834 0.695 -18.962 1.00 0.00 C ATOM 391 OG1 THR A 28 75.082 0.211 -20.065 1.00 0.00 O ATOM 392 CG2 THR A 28 75.711 -0.287 -17.785 1.00 0.00 C ATOM 0 H THR A 28 75.219 2.407 -20.635 1.00 0.00 H new ATOM 0 HA THR A 28 74.313 1.979 -18.112 1.00 0.00 H new ATOM 0 HB THR A 28 76.885 0.782 -19.239 1.00 0.00 H new ATOM 0 HG1 THR A 28 75.418 -0.671 -20.328 1.00 0.00 H new ATOM 0 HG21 THR A 28 76.092 -1.263 -18.085 1.00 0.00 H new ATOM 0 HG22 THR A 28 76.290 0.084 -16.939 1.00 0.00 H new ATOM 0 HG23 THR A 28 74.664 -0.379 -17.496 1.00 0.00 H new ATOM 400 N LYS A 29 75.689 3.152 -16.401 1.00 0.00 N ATOM 401 CA LYS A 29 76.483 3.769 -15.343 1.00 0.00 C ATOM 402 C LYS A 29 75.819 3.531 -13.989 1.00 0.00 C ATOM 403 O LYS A 29 74.849 4.196 -13.623 1.00 0.00 O ATOM 404 CB LYS A 29 76.689 5.285 -15.571 1.00 0.00 C ATOM 405 CG LYS A 29 77.668 5.569 -16.737 1.00 0.00 C ATOM 406 CD LYS A 29 79.109 5.094 -16.421 1.00 0.00 C ATOM 407 CE LYS A 29 79.636 5.772 -15.147 1.00 0.00 C ATOM 408 NZ LYS A 29 79.223 4.993 -13.944 1.00 0.00 N1+ ATOM 0 H LYS A 29 74.691 3.096 -16.199 1.00 0.00 H new ATOM 0 HA LYS A 29 77.468 3.302 -15.360 1.00 0.00 H new ATOM 0 HB2 LYS A 29 75.728 5.754 -15.782 1.00 0.00 H new ATOM 0 HB3 LYS A 29 77.072 5.740 -14.657 1.00 0.00 H new ATOM 0 HG2 LYS A 29 77.312 5.069 -17.638 1.00 0.00 H new ATOM 0 HG3 LYS A 29 77.678 6.638 -16.948 1.00 0.00 H new ATOM 0 HD2 LYS A 29 79.121 4.011 -16.295 1.00 0.00 H new ATOM 0 HD3 LYS A 29 79.766 5.324 -17.260 1.00 0.00 H new ATOM 0 HE2 LYS A 29 80.723 5.845 -15.187 1.00 0.00 H new ATOM 0 HE3 LYS A 29 79.251 6.789 -15.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 79.981 5.025 -13.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 78.356 5.405 -13.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 79.044 4.005 -14.215 1.00 0.00 H new ATOM 422 N THR A 30 76.404 2.634 -13.244 1.00 0.00 N ATOM 423 CA THR A 30 75.951 2.346 -11.897 1.00 0.00 C ATOM 424 C THR A 30 77.053 1.577 -11.210 1.00 0.00 C ATOM 425 O THR A 30 78.186 1.543 -11.692 1.00 0.00 O ATOM 426 CB THR A 30 74.646 1.515 -11.918 1.00 0.00 C ATOM 427 OG1 THR A 30 73.802 2.008 -12.946 1.00 0.00 O ATOM 428 CG2 THR A 30 73.890 1.597 -10.570 1.00 0.00 C ATOM 0 H THR A 30 77.206 2.080 -13.545 1.00 0.00 H new ATOM 0 HA THR A 30 75.734 3.272 -11.365 1.00 0.00 H new ATOM 0 HB THR A 30 74.913 0.473 -12.096 1.00 0.00 H new ATOM 0 HG1 THR A 30 73.925 2.976 -13.034 1.00 0.00 H new ATOM 0 HG21 THR A 30 72.980 1.000 -10.626 1.00 0.00 H new ATOM 0 HG22 THR A 30 74.526 1.214 -9.772 1.00 0.00 H new ATOM 0 HG23 THR A 30 73.631 2.635 -10.361 1.00 0.00 H new ATOM 436 N CYS A 31 76.713 0.886 -10.153 1.00 0.00 N ATOM 437 CA CYS A 31 77.679 0.047 -9.500 1.00 0.00 C ATOM 438 C CYS A 31 78.115 -1.033 -10.490 1.00 0.00 C ATOM 439 O CYS A 31 79.135 -1.690 -10.296 1.00 0.00 O ATOM 440 CB CYS A 31 77.036 -0.556 -8.246 1.00 0.00 C ATOM 441 SG CYS A 31 77.245 0.602 -6.864 1.00 0.00 S ATOM 0 H CYS A 31 75.784 0.888 -9.731 1.00 0.00 H new ATOM 0 HA CYS A 31 78.559 0.610 -9.190 1.00 0.00 H new ATOM 0 HB2 CYS A 31 75.977 -0.748 -8.420 1.00 0.00 H new ATOM 0 HB3 CYS A 31 77.499 -1.514 -8.009 1.00 0.00 H new ATOM 446 N GLN A 32 77.325 -1.213 -11.560 1.00 0.00 N ATOM 447 CA GLN A 32 77.633 -2.219 -12.572 1.00 0.00 C ATOM 448 C GLN A 32 78.892 -1.902 -13.366 1.00 0.00 C ATOM 449 O GLN A 32 79.775 -2.747 -13.500 1.00 0.00 O ATOM 450 CB GLN A 32 76.460 -2.390 -13.548 1.00 0.00 C ATOM 451 CG GLN A 32 76.186 -1.121 -14.399 1.00 0.00 C ATOM 452 CD GLN A 32 74.811 -1.282 -15.036 1.00 0.00 C ATOM 453 OE1 GLN A 32 73.820 -0.550 -14.618 1.00 0.00 O flip ATOM 454 NE2 GLN A 32 74.638 -2.110 -15.931 1.00 0.00 N flip ATOM 0 H GLN A 32 76.476 -0.677 -11.741 1.00 0.00 H new ATOM 0 HA GLN A 32 77.807 -3.146 -12.025 1.00 0.00 H new ATOM 0 HB2 GLN A 32 76.668 -3.228 -14.213 1.00 0.00 H new ATOM 0 HB3 GLN A 32 75.561 -2.644 -12.986 1.00 0.00 H new ATOM 0 HG2 GLN A 32 76.217 -0.228 -13.775 1.00 0.00 H new ATOM 0 HG3 GLN A 32 76.952 -1.001 -15.166 1.00 0.00 H new ATOM 0 HE21 GLN A 32 75.418 -2.681 -16.255 1.00 0.00 H new ATOM 0 HE22 GLN A 32 73.714 -2.224 -16.348 1.00 0.00 H new ATOM 463 N ASN A 33 78.951 -0.691 -13.909 1.00 0.00 N ATOM 464 CA ASN A 33 80.088 -0.268 -14.737 1.00 0.00 C ATOM 465 C ASN A 33 80.687 1.029 -14.205 1.00 0.00 C ATOM 466 O ASN A 33 81.162 1.865 -14.973 1.00 0.00 O ATOM 467 CB ASN A 33 79.634 -0.076 -16.196 1.00 0.00 C ATOM 468 CG ASN A 33 79.551 -1.417 -16.925 1.00 0.00 C ATOM 469 OD1 ASN A 33 79.802 -2.527 -16.286 1.00 0.00 O flip ATOM 470 ND2 ASN A 33 79.240 -1.454 -18.118 1.00 0.00 N flip ATOM 0 H ASN A 33 78.228 0.019 -13.794 1.00 0.00 H new ATOM 0 HA ASN A 33 80.852 -1.045 -14.698 1.00 0.00 H new ATOM 0 HB2 ASN A 33 78.660 0.414 -16.216 1.00 0.00 H new ATOM 0 HB3 ASN A 33 80.332 0.581 -16.714 1.00 0.00 H new ATOM 0 HD21 ASN A 33 79.043 -0.589 -18.621 1.00 0.00 H new ATOM 0 HD22 ASN A 33 79.180 -2.350 -18.602 1.00 0.00 H new ATOM 477 N TYR A 34 80.596 1.231 -12.900 1.00 0.00 N ATOM 478 CA TYR A 34 81.070 2.475 -12.307 1.00 0.00 C ATOM 479 C TYR A 34 82.529 2.729 -12.690 1.00 0.00 C ATOM 480 O TYR A 34 82.872 3.821 -13.140 1.00 0.00 O ATOM 481 CB TYR A 34 80.874 2.415 -10.767 1.00 0.00 C ATOM 482 CG TYR A 34 82.085 2.962 -10.036 1.00 0.00 C ATOM 483 CD1 TYR A 34 82.248 4.343 -9.891 1.00 0.00 C ATOM 484 CD2 TYR A 34 83.046 2.084 -9.521 1.00 0.00 C ATOM 485 CE1 TYR A 34 83.373 4.849 -9.230 1.00 0.00 C ATOM 486 CE2 TYR A 34 84.170 2.588 -8.858 1.00 0.00 C ATOM 487 CZ TYR A 34 84.334 3.971 -8.713 1.00 0.00 C ATOM 488 OH TYR A 34 85.444 4.469 -8.063 1.00 0.00 O ATOM 0 H TYR A 34 80.204 0.561 -12.238 1.00 0.00 H new ATOM 0 HA TYR A 34 80.490 3.313 -12.693 1.00 0.00 H new ATOM 0 HB2 TYR A 34 79.989 2.987 -10.488 1.00 0.00 H new ATOM 0 HB3 TYR A 34 80.697 1.384 -10.461 1.00 0.00 H new ATOM 0 HD1 TYR A 34 81.506 5.019 -10.289 1.00 0.00 H new ATOM 0 HD2 TYR A 34 82.920 1.018 -9.636 1.00 0.00 H new ATOM 0 HE1 TYR A 34 83.500 5.916 -9.119 1.00 0.00 H new ATOM 0 HE2 TYR A 34 84.911 1.911 -8.458 1.00 0.00 H new ATOM 0 HH TYR A 34 86.010 3.726 -7.765 1.00 0.00 H new ATOM 498 N ASP A 35 83.386 1.724 -12.524 1.00 0.00 N ATOM 499 CA ASP A 35 84.798 1.869 -12.875 1.00 0.00 C ATOM 500 C ASP A 35 85.058 1.283 -14.259 1.00 0.00 C ATOM 501 O ASP A 35 86.121 1.489 -14.841 1.00 0.00 O ATOM 502 CB ASP A 35 85.660 1.131 -11.847 1.00 0.00 C ATOM 503 CG ASP A 35 87.130 1.200 -12.248 1.00 0.00 C ATOM 504 OD1 ASP A 35 87.473 2.072 -13.027 1.00 0.00 O1- ATOM 505 OD2 ASP A 35 87.894 0.382 -11.761 1.00 0.00 O ATOM 0 H ASP A 35 83.132 0.809 -12.152 1.00 0.00 H new ATOM 0 HA ASP A 35 85.053 2.929 -12.879 1.00 0.00 H new ATOM 0 HB2 ASP A 35 85.523 1.575 -10.861 1.00 0.00 H new ATOM 0 HB3 ASP A 35 85.343 0.091 -11.775 1.00 0.00 H new ATOM 510 N LEU A 36 84.076 0.557 -14.788 1.00 0.00 N ATOM 511 CA LEU A 36 84.225 -0.056 -16.103 1.00 0.00 C ATOM 512 C LEU A 36 83.820 0.932 -17.200 1.00 0.00 C ATOM 513 O LEU A 36 82.916 1.743 -17.004 1.00 0.00 O ATOM 514 CB LEU A 36 83.356 -1.313 -16.199 1.00 0.00 C ATOM 515 CG LEU A 36 83.423 -2.095 -14.874 1.00 0.00 C ATOM 516 CD1 LEU A 36 82.658 -3.424 -15.017 1.00 0.00 C ATOM 517 CD2 LEU A 36 84.893 -2.369 -14.500 1.00 0.00 C ATOM 0 H LEU A 36 83.180 0.381 -14.333 1.00 0.00 H new ATOM 0 HA LEU A 36 85.271 -0.330 -16.240 1.00 0.00 H new ATOM 0 HB2 LEU A 36 82.324 -1.037 -16.418 1.00 0.00 H new ATOM 0 HB3 LEU A 36 83.699 -1.942 -17.021 1.00 0.00 H new ATOM 0 HG LEU A 36 82.963 -1.502 -14.083 1.00 0.00 H new ATOM 0 HD11 LEU A 36 82.707 -3.975 -14.078 1.00 0.00 H new ATOM 0 HD12 LEU A 36 81.616 -3.219 -15.263 1.00 0.00 H new ATOM 0 HD13 LEU A 36 83.108 -4.019 -15.811 1.00 0.00 H new ATOM 0 HD21 LEU A 36 84.933 -2.922 -13.562 1.00 0.00 H new ATOM 0 HD22 LEU A 36 85.366 -2.956 -15.288 1.00 0.00 H new ATOM 0 HD23 LEU A 36 85.422 -1.423 -14.386 1.00 0.00 H new ATOM 529 N GLU A 37 84.477 0.852 -18.355 1.00 0.00 N ATOM 530 CA GLU A 37 84.150 1.746 -19.470 1.00 0.00 C ATOM 531 C GLU A 37 82.881 1.283 -20.186 1.00 0.00 C ATOM 532 O GLU A 37 82.466 0.132 -20.052 1.00 0.00 O ATOM 533 CB GLU A 37 85.317 1.828 -20.466 1.00 0.00 C ATOM 534 CG GLU A 37 85.756 0.423 -20.924 1.00 0.00 C ATOM 535 CD GLU A 37 84.894 -0.059 -22.087 1.00 0.00 C ATOM 536 OE1 GLU A 37 85.049 0.474 -23.174 1.00 0.00 O ATOM 537 OE2 GLU A 37 84.101 -0.962 -21.878 1.00 0.00 O1- ATOM 0 H GLU A 37 85.228 0.189 -18.545 1.00 0.00 H new ATOM 0 HA GLU A 37 83.974 2.740 -19.058 1.00 0.00 H new ATOM 0 HB2 GLU A 37 85.019 2.420 -21.332 1.00 0.00 H new ATOM 0 HB3 GLU A 37 86.159 2.342 -20.003 1.00 0.00 H new ATOM 0 HG2 GLU A 37 86.803 0.444 -21.225 1.00 0.00 H new ATOM 0 HG3 GLU A 37 85.678 -0.277 -20.092 1.00 0.00 H new ATOM 544 N CYS A 38 82.252 2.203 -20.924 1.00 0.00 N ATOM 545 CA CYS A 38 81.007 1.897 -21.640 1.00 0.00 C ATOM 546 C CYS A 38 80.967 2.617 -22.993 1.00 0.00 C ATOM 547 O CYS A 38 81.404 3.761 -23.113 1.00 0.00 O ATOM 548 CB CYS A 38 79.807 2.328 -20.780 1.00 0.00 C ATOM 549 SG CYS A 38 78.313 2.478 -21.797 1.00 0.00 S ATOM 0 H CYS A 38 82.581 3.161 -21.042 1.00 0.00 H new ATOM 0 HA CYS A 38 80.961 0.824 -21.824 1.00 0.00 H new ATOM 0 HB2 CYS A 38 79.641 1.600 -19.986 1.00 0.00 H new ATOM 0 HB3 CYS A 38 80.022 3.281 -20.298 1.00 0.00 H new ATOM 554 N MET A 39 80.422 1.935 -24.002 1.00 0.00 N ATOM 555 CA MET A 39 80.301 2.511 -25.341 1.00 0.00 C ATOM 556 C MET A 39 79.482 3.798 -25.286 1.00 0.00 C ATOM 557 O MET A 39 79.975 4.845 -24.867 1.00 0.00 O ATOM 558 CB MET A 39 79.633 1.487 -26.281 1.00 0.00 C ATOM 559 CG MET A 39 79.481 2.041 -27.720 1.00 0.00 C ATOM 560 SD MET A 39 80.917 1.558 -28.721 1.00 0.00 S ATOM 561 CE MET A 39 81.353 3.199 -29.355 1.00 0.00 C ATOM 0 H MET A 39 80.059 0.986 -23.917 1.00 0.00 H new ATOM 0 HA MET A 39 81.293 2.751 -25.723 1.00 0.00 H new ATOM 0 HB2 MET A 39 80.227 0.573 -26.304 1.00 0.00 H new ATOM 0 HB3 MET A 39 78.652 1.220 -25.889 1.00 0.00 H new ATOM 0 HG2 MET A 39 78.566 1.658 -28.172 1.00 0.00 H new ATOM 0 HG3 MET A 39 79.393 3.127 -27.694 1.00 0.00 H new ATOM 0 HE1 MET A 39 82.226 3.119 -30.003 1.00 0.00 H new ATOM 0 HE2 MET A 39 80.515 3.604 -29.923 1.00 0.00 H new ATOM 0 HE3 MET A 39 81.580 3.863 -28.521 1.00 0.00 H new ATOM 571 N SER A 40 78.230 3.713 -25.730 1.00 0.00 N ATOM 572 CA SER A 40 77.350 4.873 -25.748 1.00 0.00 C ATOM 573 C SER A 40 75.895 4.439 -25.882 1.00 0.00 C ATOM 574 O SER A 40 75.610 3.277 -26.174 1.00 0.00 O ATOM 575 CB SER A 40 77.720 5.796 -26.907 1.00 0.00 C ATOM 576 OG SER A 40 77.694 5.059 -28.122 1.00 0.00 O ATOM 0 H SER A 40 77.805 2.854 -26.081 1.00 0.00 H new ATOM 0 HA SER A 40 77.472 5.411 -24.808 1.00 0.00 H new ATOM 0 HB2 SER A 40 77.021 6.631 -26.960 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.711 6.220 -26.747 1.00 0.00 H new ATOM 0 HG SER A 40 77.929 5.649 -28.868 1.00 0.00 H new ATOM 582 N MET A 41 74.975 5.381 -25.664 1.00 0.00 N ATOM 583 CA MET A 41 73.540 5.093 -25.760 1.00 0.00 C ATOM 584 C MET A 41 72.903 5.895 -26.899 1.00 0.00 C ATOM 585 O MET A 41 72.132 5.359 -27.696 1.00 0.00 O ATOM 586 CB MET A 41 72.859 5.447 -24.430 1.00 0.00 C ATOM 587 CG MET A 41 71.522 4.702 -24.301 1.00 0.00 C ATOM 588 SD MET A 41 70.401 5.653 -23.240 1.00 0.00 S ATOM 589 CE MET A 41 69.254 6.200 -24.530 1.00 0.00 C ATOM 0 H MET A 41 75.195 6.347 -25.421 1.00 0.00 H new ATOM 0 HA MET A 41 73.407 4.032 -25.970 1.00 0.00 H new ATOM 0 HB2 MET A 41 73.512 5.183 -23.598 1.00 0.00 H new ATOM 0 HB3 MET A 41 72.691 6.523 -24.375 1.00 0.00 H new ATOM 0 HG2 MET A 41 71.076 4.560 -25.285 1.00 0.00 H new ATOM 0 HG3 MET A 41 71.685 3.710 -23.879 1.00 0.00 H new ATOM 0 HE1 MET A 41 68.649 7.024 -24.153 1.00 0.00 H new ATOM 0 HE2 MET A 41 69.818 6.533 -25.401 1.00 0.00 H new ATOM 0 HE3 MET A 41 68.604 5.372 -24.813 1.00 0.00 H new ATOM 599 N GLY A 42 73.233 7.184 -26.965 1.00 0.00 N ATOM 600 CA GLY A 42 72.694 8.065 -28.007 1.00 0.00 C ATOM 601 C GLY A 42 71.479 8.835 -27.501 1.00 0.00 C ATOM 602 O GLY A 42 71.009 8.609 -26.386 1.00 0.00 O ATOM 0 H GLY A 42 73.869 7.643 -26.313 1.00 0.00 H new ATOM 0 HA2 GLY A 42 73.464 8.766 -28.329 1.00 0.00 H new ATOM 0 HA3 GLY A 42 72.416 7.474 -28.879 1.00 0.00 H new ATOM 606 N CYS A 43 70.991 9.771 -28.312 1.00 0.00 N ATOM 607 CA CYS A 43 69.850 10.596 -27.927 1.00 0.00 C ATOM 608 C CYS A 43 68.527 9.861 -28.174 1.00 0.00 C ATOM 609 O CYS A 43 67.939 9.959 -29.252 1.00 0.00 O ATOM 610 CB CYS A 43 69.897 11.917 -28.722 1.00 0.00 C ATOM 611 SG CYS A 43 69.404 13.302 -27.667 1.00 0.00 S ATOM 0 H CYS A 43 71.367 9.976 -29.238 1.00 0.00 H new ATOM 0 HA CYS A 43 69.907 10.810 -26.860 1.00 0.00 H new ATOM 0 HB2 CYS A 43 70.904 12.083 -29.105 1.00 0.00 H new ATOM 0 HB3 CYS A 43 69.234 11.854 -29.585 1.00 0.00 H new ATOM 616 N VAL A 44 68.052 9.149 -27.154 1.00 0.00 N ATOM 617 CA VAL A 44 66.780 8.425 -27.241 1.00 0.00 C ATOM 618 C VAL A 44 65.955 8.707 -25.987 1.00 0.00 C ATOM 619 O VAL A 44 66.501 9.063 -24.942 1.00 0.00 O ATOM 620 CB VAL A 44 67.036 6.914 -27.367 1.00 0.00 C ATOM 621 CG1 VAL A 44 65.699 6.152 -27.238 1.00 0.00 C ATOM 622 CG2 VAL A 44 67.713 6.593 -28.734 1.00 0.00 C ATOM 0 H VAL A 44 68.527 9.056 -26.256 1.00 0.00 H new ATOM 0 HA VAL A 44 66.235 8.761 -28.123 1.00 0.00 H new ATOM 0 HB VAL A 44 67.707 6.596 -26.569 1.00 0.00 H new ATOM 0 HG11 VAL A 44 65.881 5.081 -27.327 1.00 0.00 H new ATOM 0 HG12 VAL A 44 65.251 6.364 -26.267 1.00 0.00 H new ATOM 0 HG13 VAL A 44 65.020 6.472 -28.028 1.00 0.00 H new ATOM 0 HG21 VAL A 44 67.889 5.520 -28.810 1.00 0.00 H new ATOM 0 HG22 VAL A 44 67.061 6.912 -29.547 1.00 0.00 H new ATOM 0 HG23 VAL A 44 68.664 7.122 -28.802 1.00 0.00 H new ATOM 632 N SER A 45 64.642 8.544 -26.093 1.00 0.00 N ATOM 633 CA SER A 45 63.760 8.779 -24.952 1.00 0.00 C ATOM 634 C SER A 45 64.341 8.117 -23.695 1.00 0.00 C ATOM 635 O SER A 45 64.142 6.924 -23.468 1.00 0.00 O ATOM 636 CB SER A 45 62.357 8.215 -25.271 1.00 0.00 C ATOM 637 OG SER A 45 62.420 7.482 -26.488 1.00 0.00 O ATOM 0 H SER A 45 64.166 8.253 -26.947 1.00 0.00 H new ATOM 0 HA SER A 45 63.677 9.849 -24.764 1.00 0.00 H new ATOM 0 HB2 SER A 45 62.017 7.571 -24.460 1.00 0.00 H new ATOM 0 HB3 SER A 45 61.635 9.027 -25.357 1.00 0.00 H new ATOM 0 HG SER A 45 61.534 7.119 -26.697 1.00 0.00 H new ATOM 643 N GLY A 46 65.080 8.897 -22.900 1.00 0.00 N ATOM 644 CA GLY A 46 65.715 8.366 -21.685 1.00 0.00 C ATOM 645 C GLY A 46 65.402 9.209 -20.452 1.00 0.00 C ATOM 646 O GLY A 46 65.492 10.438 -20.481 1.00 0.00 O ATOM 0 H GLY A 46 65.253 9.888 -23.071 1.00 0.00 H new ATOM 0 HA2 GLY A 46 65.377 7.343 -21.518 1.00 0.00 H new ATOM 0 HA3 GLY A 46 66.795 8.325 -21.830 1.00 0.00 H new ATOM 650 N CYS A 47 65.063 8.525 -19.355 1.00 0.00 N ATOM 651 CA CYS A 47 64.768 9.180 -18.075 1.00 0.00 C ATOM 652 C CYS A 47 65.768 8.698 -17.025 1.00 0.00 C ATOM 653 O CYS A 47 66.062 7.505 -16.938 1.00 0.00 O ATOM 654 CB CYS A 47 63.313 8.856 -17.649 1.00 0.00 C ATOM 655 SG CYS A 47 63.203 8.476 -15.873 1.00 0.00 S ATOM 0 H CYS A 47 64.985 7.508 -19.328 1.00 0.00 H new ATOM 0 HA CYS A 47 64.861 10.261 -18.175 1.00 0.00 H new ATOM 0 HB2 CYS A 47 62.668 9.704 -17.881 1.00 0.00 H new ATOM 0 HB3 CYS A 47 62.945 8.008 -18.226 1.00 0.00 H new ATOM 660 N LEU A 48 66.285 9.629 -16.226 1.00 0.00 N ATOM 661 CA LEU A 48 67.244 9.282 -15.178 1.00 0.00 C ATOM 662 C LEU A 48 66.982 10.098 -13.918 1.00 0.00 C ATOM 663 O LEU A 48 66.690 11.291 -13.986 1.00 0.00 O ATOM 664 CB LEU A 48 68.679 9.542 -15.654 1.00 0.00 C ATOM 665 CG LEU A 48 69.049 8.596 -16.835 1.00 0.00 C ATOM 666 CD1 LEU A 48 68.879 9.311 -18.184 1.00 0.00 C ATOM 667 CD2 LEU A 48 70.510 8.140 -16.705 1.00 0.00 C ATOM 0 H LEU A 48 66.059 10.622 -16.283 1.00 0.00 H new ATOM 0 HA LEU A 48 67.123 8.222 -14.953 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.780 10.581 -15.969 1.00 0.00 H new ATOM 0 HB3 LEU A 48 69.374 9.390 -14.828 1.00 0.00 H new ATOM 0 HG LEU A 48 68.381 7.736 -16.796 1.00 0.00 H new ATOM 0 HD11 LEU A 48 69.143 8.630 -18.993 1.00 0.00 H new ATOM 0 HD12 LEU A 48 67.842 9.627 -18.300 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.530 10.184 -18.218 1.00 0.00 H new ATOM 0 HD21 LEU A 48 70.760 7.479 -17.535 1.00 0.00 H new ATOM 0 HD22 LEU A 48 71.166 9.010 -16.724 1.00 0.00 H new ATOM 0 HD23 LEU A 48 70.642 7.607 -15.764 1.00 0.00 H new ATOM 679 N CYS A 49 67.111 9.446 -12.770 1.00 0.00 N ATOM 680 CA CYS A 49 66.910 10.118 -11.493 1.00 0.00 C ATOM 681 C CYS A 49 67.873 11.316 -11.380 1.00 0.00 C ATOM 682 O CYS A 49 68.964 11.281 -11.951 1.00 0.00 O ATOM 683 CB CYS A 49 67.178 9.128 -10.349 1.00 0.00 C ATOM 684 SG CYS A 49 66.373 7.542 -10.687 1.00 0.00 S ATOM 0 H CYS A 49 67.353 8.458 -12.697 1.00 0.00 H new ATOM 0 HA CYS A 49 65.883 10.478 -11.429 1.00 0.00 H new ATOM 0 HB2 CYS A 49 68.252 8.981 -10.231 1.00 0.00 H new ATOM 0 HB3 CYS A 49 66.807 9.539 -9.410 1.00 0.00 H new ATOM 689 N PRO A 50 67.514 12.365 -10.664 1.00 0.00 N ATOM 690 CA PRO A 50 68.401 13.566 -10.498 1.00 0.00 C ATOM 691 C PRO A 50 69.871 13.162 -10.300 1.00 0.00 C ATOM 692 O PRO A 50 70.155 12.018 -9.956 1.00 0.00 O ATOM 693 CB PRO A 50 67.823 14.240 -9.244 1.00 0.00 C ATOM 694 CG PRO A 50 66.364 13.906 -9.266 1.00 0.00 C ATOM 695 CD PRO A 50 66.240 12.528 -9.931 1.00 0.00 C ATOM 0 HA PRO A 50 68.412 14.218 -11.371 1.00 0.00 H new ATOM 0 HB2 PRO A 50 68.301 13.866 -8.338 1.00 0.00 H new ATOM 0 HB3 PRO A 50 67.982 15.318 -9.266 1.00 0.00 H new ATOM 0 HG2 PRO A 50 65.956 13.887 -8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 50 65.803 14.657 -9.822 1.00 0.00 H new ATOM 0 HD2 PRO A 50 66.102 11.739 -9.191 1.00 0.00 H new ATOM 0 HD3 PRO A 50 65.384 12.486 -10.605 1.00 0.00 H new ATOM 703 N PRO A 51 70.810 14.056 -10.503 1.00 0.00 N ATOM 704 CA PRO A 51 72.265 13.738 -10.327 1.00 0.00 C ATOM 705 C PRO A 51 72.556 13.106 -8.958 1.00 0.00 C ATOM 706 O PRO A 51 71.984 13.505 -7.943 1.00 0.00 O ATOM 707 CB PRO A 51 72.965 15.110 -10.486 1.00 0.00 C ATOM 708 CG PRO A 51 71.871 16.132 -10.389 1.00 0.00 C ATOM 709 CD PRO A 51 70.621 15.451 -10.929 1.00 0.00 C ATOM 0 HA PRO A 51 72.618 13.001 -11.048 1.00 0.00 H new ATOM 0 HB2 PRO A 51 73.713 15.261 -9.708 1.00 0.00 H new ATOM 0 HB3 PRO A 51 73.482 15.178 -11.443 1.00 0.00 H new ATOM 0 HG2 PRO A 51 71.727 16.454 -9.358 1.00 0.00 H new ATOM 0 HG3 PRO A 51 72.114 17.022 -10.970 1.00 0.00 H new ATOM 0 HD2 PRO A 51 69.711 15.883 -10.512 1.00 0.00 H new ATOM 0 HD3 PRO A 51 70.548 15.538 -12.013 1.00 0.00 H new ATOM 717 N GLY A 52 73.425 12.092 -8.956 1.00 0.00 N ATOM 718 CA GLY A 52 73.774 11.375 -7.726 1.00 0.00 C ATOM 719 C GLY A 52 72.809 10.213 -7.518 1.00 0.00 C ATOM 720 O GLY A 52 73.064 9.293 -6.741 1.00 0.00 O ATOM 0 H GLY A 52 73.900 11.749 -9.791 1.00 0.00 H new ATOM 0 HA2 GLY A 52 74.797 11.004 -7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 52 73.731 12.053 -6.874 1.00 0.00 H new ATOM 724 N MET A 53 71.704 10.281 -8.242 1.00 0.00 N ATOM 725 CA MET A 53 70.668 9.249 -8.186 1.00 0.00 C ATOM 726 C MET A 53 70.638 8.480 -9.502 1.00 0.00 C ATOM 727 O MET A 53 70.632 9.067 -10.586 1.00 0.00 O ATOM 728 CB MET A 53 69.315 9.904 -7.875 1.00 0.00 C ATOM 729 CG MET A 53 69.465 10.866 -6.683 1.00 0.00 C ATOM 730 SD MET A 53 70.430 10.082 -5.353 1.00 0.00 S ATOM 731 CE MET A 53 70.917 11.571 -4.429 1.00 0.00 C ATOM 0 H MET A 53 71.495 11.046 -8.883 1.00 0.00 H new ATOM 0 HA MET A 53 70.888 8.536 -7.392 1.00 0.00 H new ATOM 0 HB2 MET A 53 68.953 10.446 -8.749 1.00 0.00 H new ATOM 0 HB3 MET A 53 68.574 9.138 -7.646 1.00 0.00 H new ATOM 0 HG2 MET A 53 69.958 11.783 -7.007 1.00 0.00 H new ATOM 0 HG3 MET A 53 68.481 11.148 -6.309 1.00 0.00 H new ATOM 0 HE1 MET A 53 71.521 11.284 -3.569 1.00 0.00 H new ATOM 0 HE2 MET A 53 71.497 12.228 -5.077 1.00 0.00 H new ATOM 0 HE3 MET A 53 70.025 12.095 -4.087 1.00 0.00 H new ATOM 741 N VAL A 54 70.649 7.153 -9.386 1.00 0.00 N ATOM 742 CA VAL A 54 70.654 6.259 -10.549 1.00 0.00 C ATOM 743 C VAL A 54 69.588 5.176 -10.369 1.00 0.00 C ATOM 744 O VAL A 54 69.292 4.773 -9.256 1.00 0.00 O ATOM 745 CB VAL A 54 72.067 5.642 -10.693 1.00 0.00 C ATOM 746 CG1 VAL A 54 71.995 4.268 -11.365 1.00 0.00 C ATOM 747 CG2 VAL A 54 72.939 6.564 -11.557 1.00 0.00 C ATOM 0 H VAL A 54 70.655 6.667 -8.489 1.00 0.00 H new ATOM 0 HA VAL A 54 70.418 6.812 -11.458 1.00 0.00 H new ATOM 0 HB VAL A 54 72.496 5.531 -9.697 1.00 0.00 H new ATOM 0 HG11 VAL A 54 72.999 3.854 -11.455 1.00 0.00 H new ATOM 0 HG12 VAL A 54 71.380 3.600 -10.762 1.00 0.00 H new ATOM 0 HG13 VAL A 54 71.554 4.371 -12.357 1.00 0.00 H new ATOM 0 HG21 VAL A 54 73.934 6.132 -11.660 1.00 0.00 H new ATOM 0 HG22 VAL A 54 72.487 6.673 -12.543 1.00 0.00 H new ATOM 0 HG23 VAL A 54 73.015 7.542 -11.082 1.00 0.00 H new ATOM 757 N ARG A 55 69.033 4.712 -11.483 1.00 0.00 N ATOM 758 CA ARG A 55 67.966 3.701 -11.455 1.00 0.00 C ATOM 759 C ARG A 55 68.479 2.327 -10.994 1.00 0.00 C ATOM 760 O ARG A 55 69.483 1.823 -11.495 1.00 0.00 O ATOM 761 CB ARG A 55 67.319 3.512 -12.867 1.00 0.00 C ATOM 762 CG ARG A 55 68.332 3.724 -14.038 1.00 0.00 C ATOM 763 CD ARG A 55 68.858 2.384 -14.575 1.00 0.00 C ATOM 764 NE ARG A 55 70.108 2.612 -15.313 1.00 0.00 N ATOM 765 CZ ARG A 55 71.205 1.865 -15.134 1.00 0.00 C ATOM 766 NH1 ARG A 55 71.227 0.899 -14.254 1.00 0.00 N ATOM 767 NH2 ARG A 55 72.276 2.114 -15.841 1.00 0.00 N1+ ATOM 0 H ARG A 55 69.300 5.016 -12.420 1.00 0.00 H new ATOM 0 HA ARG A 55 67.228 4.074 -10.745 1.00 0.00 H new ATOM 0 HB2 ARG A 55 66.898 2.509 -12.936 1.00 0.00 H new ATOM 0 HB3 ARG A 55 66.492 4.213 -12.978 1.00 0.00 H new ATOM 0 HG2 ARG A 55 67.848 4.276 -14.844 1.00 0.00 H new ATOM 0 HG3 ARG A 55 69.168 4.332 -13.692 1.00 0.00 H new ATOM 0 HD2 ARG A 55 69.030 1.692 -13.751 1.00 0.00 H new ATOM 0 HD3 ARG A 55 68.116 1.924 -15.228 1.00 0.00 H new ATOM 0 HE ARG A 55 70.142 3.373 -15.992 1.00 0.00 H new ATOM 0 HH11 ARG A 55 70.400 0.704 -13.690 1.00 0.00 H new ATOM 0 HH12 ARG A 55 72.071 0.340 -14.131 1.00 0.00 H new ATOM 0 HH21 ARG A 55 72.272 2.873 -16.523 1.00 0.00 H new ATOM 0 HH22 ARG A 55 73.116 1.550 -15.711 1.00 0.00 H new ATOM 781 N HIS A 56 67.737 1.708 -10.066 1.00 0.00 N ATOM 782 CA HIS A 56 68.071 0.363 -9.595 1.00 0.00 C ATOM 783 C HIS A 56 66.827 -0.318 -8.993 1.00 0.00 C ATOM 784 O HIS A 56 66.003 0.329 -8.354 1.00 0.00 O ATOM 785 CB HIS A 56 69.214 0.423 -8.557 1.00 0.00 C ATOM 786 CG HIS A 56 70.114 -0.796 -8.663 1.00 0.00 C ATOM 787 ND1 HIS A 56 69.988 -2.000 -9.323 1.00 0.00 N flip ATOM 788 CD2 HIS A 56 71.347 -0.850 -8.030 1.00 0.00 C flip ATOM 789 CE1 HIS A 56 71.119 -2.778 -9.103 1.00 0.00 C flip ATOM 790 NE2 HIS A 56 71.906 -2.039 -8.319 1.00 0.00 N flip ATOM 0 H HIS A 56 66.909 2.115 -9.631 1.00 0.00 H new ATOM 0 HA HIS A 56 68.411 -0.229 -10.445 1.00 0.00 H new ATOM 0 HB2 HIS A 56 69.802 1.328 -8.711 1.00 0.00 H new ATOM 0 HB3 HIS A 56 68.795 0.483 -7.553 1.00 0.00 H new ATOM 0 HD2 HIS A 56 71.781 -0.076 -7.415 1.00 0.00 H new ATOM 0 HE1 HIS A 56 71.318 -3.768 -9.485 1.00 0.00 H new ATOM 0 HE2 HIS A 56 72.820 -2.339 -7.980 1.00 0.00 H new ATOM 798 N GLU A 57 66.737 -1.631 -9.185 1.00 0.00 N ATOM 799 CA GLU A 57 65.635 -2.436 -8.647 1.00 0.00 C ATOM 800 C GLU A 57 64.310 -1.646 -8.595 1.00 0.00 C ATOM 801 O GLU A 57 63.500 -1.867 -7.698 1.00 0.00 O ATOM 802 CB GLU A 57 66.022 -2.947 -7.234 1.00 0.00 C ATOM 803 CG GLU A 57 65.764 -4.456 -7.101 1.00 0.00 C ATOM 804 CD GLU A 57 66.320 -4.959 -5.773 1.00 0.00 C ATOM 805 OE1 GLU A 57 67.517 -4.835 -5.571 1.00 0.00 O ATOM 806 OE2 GLU A 57 65.542 -5.459 -4.977 1.00 0.00 O1- ATOM 0 H GLU A 57 67.422 -2.169 -9.716 1.00 0.00 H new ATOM 0 HA GLU A 57 65.471 -3.282 -9.315 1.00 0.00 H new ATOM 0 HB2 GLU A 57 67.074 -2.737 -7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 57 65.448 -2.409 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 57 64.694 -4.658 -7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 57 66.234 -4.989 -7.928 1.00 0.00 H new ATOM 813 N ASN A 58 64.112 -0.746 -9.569 1.00 0.00 N ATOM 814 CA ASN A 58 62.886 0.076 -9.674 1.00 0.00 C ATOM 815 C ASN A 58 62.905 1.294 -8.745 1.00 0.00 C ATOM 816 O ASN A 58 61.858 1.744 -8.285 1.00 0.00 O ATOM 817 CB ASN A 58 61.618 -0.748 -9.387 1.00 0.00 C ATOM 818 CG ASN A 58 61.634 -2.044 -10.188 1.00 0.00 C ATOM 819 OD1 ASN A 58 61.888 -2.028 -11.392 1.00 0.00 O ATOM 820 ND2 ASN A 58 61.367 -3.175 -9.592 1.00 0.00 N ATOM 0 H ASN A 58 64.792 -0.564 -10.307 1.00 0.00 H new ATOM 0 HA ASN A 58 62.866 0.429 -10.705 1.00 0.00 H new ATOM 0 HB2 ASN A 58 61.555 -0.972 -8.322 1.00 0.00 H new ATOM 0 HB3 ASN A 58 60.733 -0.166 -9.643 1.00 0.00 H new ATOM 0 HD21 ASN A 58 61.369 -4.045 -10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 58 61.156 -3.188 -8.594 1.00 0.00 H new ATOM 827 N ARG A 59 64.089 1.839 -8.493 1.00 0.00 N ATOM 828 CA ARG A 59 64.205 3.020 -7.637 1.00 0.00 C ATOM 829 C ARG A 59 65.623 3.582 -7.688 1.00 0.00 C ATOM 830 O ARG A 59 66.530 2.930 -8.209 1.00 0.00 O ATOM 831 CB ARG A 59 63.851 2.648 -6.198 1.00 0.00 C ATOM 832 CG ARG A 59 64.870 1.648 -5.656 1.00 0.00 C ATOM 833 CD ARG A 59 64.420 1.167 -4.281 1.00 0.00 C ATOM 834 NE ARG A 59 64.446 2.271 -3.329 1.00 0.00 N ATOM 835 CZ ARG A 59 64.457 2.044 -2.023 1.00 0.00 C ATOM 836 NH1 ARG A 59 64.472 0.817 -1.578 1.00 0.00 N ATOM 837 NH2 ARG A 59 64.461 3.043 -1.186 1.00 0.00 N1+ ATOM 0 H ARG A 59 64.973 1.490 -8.862 1.00 0.00 H new ATOM 0 HA ARG A 59 63.515 3.782 -7.998 1.00 0.00 H new ATOM 0 HB2 ARG A 59 63.838 3.542 -5.574 1.00 0.00 H new ATOM 0 HB3 ARG A 59 62.850 2.218 -6.160 1.00 0.00 H new ATOM 0 HG2 ARG A 59 64.965 0.802 -6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 59 65.853 2.114 -5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 59 63.413 0.754 -4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 59 65.072 0.365 -3.937 1.00 0.00 H new ATOM 0 HE ARG A 59 64.456 3.231 -3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 59 64.475 0.036 -2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 59 64.481 0.639 -0.574 1.00 0.00 H new ATOM 0 HH21 ARG A 59 64.456 4.001 -1.536 1.00 0.00 H new ATOM 0 HH22 ARG A 59 64.469 2.867 -0.181 1.00 0.00 H new ATOM 851 N CYS A 60 65.819 4.793 -7.142 1.00 0.00 N ATOM 852 CA CYS A 60 67.151 5.419 -7.135 1.00 0.00 C ATOM 853 C CYS A 60 67.699 5.526 -5.707 1.00 0.00 C ATOM 854 O CYS A 60 67.039 6.055 -4.815 1.00 0.00 O ATOM 855 CB CYS A 60 67.091 6.826 -7.785 1.00 0.00 C ATOM 856 SG CYS A 60 65.655 6.925 -8.894 1.00 0.00 S ATOM 0 H CYS A 60 65.085 5.351 -6.706 1.00 0.00 H new ATOM 0 HA CYS A 60 67.823 4.787 -7.716 1.00 0.00 H new ATOM 0 HB2 CYS A 60 67.020 7.592 -7.013 1.00 0.00 H new ATOM 0 HB3 CYS A 60 68.008 7.020 -8.342 1.00 0.00 H new ATOM 861 N VAL A 61 68.936 5.048 -5.515 1.00 0.00 N ATOM 862 CA VAL A 61 69.601 5.120 -4.205 1.00 0.00 C ATOM 863 C VAL A 61 71.071 5.491 -4.366 1.00 0.00 C ATOM 864 O VAL A 61 71.640 5.370 -5.450 1.00 0.00 O ATOM 865 CB VAL A 61 69.498 3.781 -3.447 1.00 0.00 C ATOM 866 CG1 VAL A 61 70.416 2.739 -4.107 1.00 0.00 C ATOM 867 CG2 VAL A 61 69.914 3.965 -1.961 1.00 0.00 C ATOM 0 H VAL A 61 69.495 4.609 -6.246 1.00 0.00 H new ATOM 0 HA VAL A 61 69.091 5.891 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 61 68.464 3.438 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 61 70.340 1.794 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 61 70.112 2.591 -5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 61 71.447 3.092 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 61 69.836 3.011 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 61 70.943 4.321 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 61 69.256 4.692 -1.486 1.00 0.00 H new ATOM 877 N ALA A 62 71.685 5.914 -3.267 1.00 0.00 N ATOM 878 CA ALA A 62 73.094 6.263 -3.284 1.00 0.00 C ATOM 879 C ALA A 62 73.936 5.024 -3.601 1.00 0.00 C ATOM 880 O ALA A 62 73.745 3.951 -3.026 1.00 0.00 O ATOM 881 CB ALA A 62 73.491 6.881 -1.929 1.00 0.00 C ATOM 0 H ALA A 62 71.230 6.022 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 62 73.280 7.002 -4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 62 74.549 7.142 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 62 72.898 7.778 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 62 73.307 6.160 -1.132 1.00 0.00 H new ATOM 887 N LEU A 63 74.816 5.194 -4.574 1.00 0.00 N ATOM 888 CA LEU A 63 75.655 4.108 -5.074 1.00 0.00 C ATOM 889 C LEU A 63 76.337 3.383 -3.916 1.00 0.00 C ATOM 890 O LEU A 63 76.630 2.189 -4.004 1.00 0.00 O ATOM 891 CB LEU A 63 76.735 4.669 -6.024 1.00 0.00 C ATOM 892 CG LEU A 63 76.150 5.714 -7.009 1.00 0.00 C ATOM 893 CD1 LEU A 63 77.306 6.491 -7.655 1.00 0.00 C ATOM 894 CD2 LEU A 63 75.303 5.037 -8.115 1.00 0.00 C ATOM 0 H LEU A 63 74.972 6.087 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 63 75.020 3.406 -5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.531 5.128 -5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 63 77.184 3.851 -6.587 1.00 0.00 H new ATOM 0 HG LEU A 63 75.500 6.388 -6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 63 76.905 7.229 -8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 63 77.882 6.997 -6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.953 5.799 -8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 63 74.908 5.798 -8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 63 75.927 4.343 -8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 63 74.477 4.492 -7.658 1.00 0.00 H new ATOM 906 N GLU A 64 76.627 4.118 -2.850 1.00 0.00 N ATOM 907 CA GLU A 64 77.319 3.557 -1.693 1.00 0.00 C ATOM 908 C GLU A 64 76.571 2.350 -1.119 1.00 0.00 C ATOM 909 O GLU A 64 77.161 1.513 -0.437 1.00 0.00 O ATOM 910 CB GLU A 64 77.427 4.629 -0.607 1.00 0.00 C ATOM 911 CG GLU A 64 78.375 4.159 0.495 1.00 0.00 C ATOM 912 CD GLU A 64 78.477 5.227 1.579 1.00 0.00 C ATOM 913 OE1 GLU A 64 77.673 6.145 1.556 1.00 0.00 O1- ATOM 914 OE2 GLU A 64 79.359 5.116 2.413 1.00 0.00 O ATOM 0 H GLU A 64 76.394 5.107 -2.761 1.00 0.00 H new ATOM 0 HA GLU A 64 78.307 3.228 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 64 77.791 5.561 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 64 76.442 4.835 -0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 64 78.013 3.225 0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 64 79.361 3.957 0.077 1.00 0.00 H new ATOM 921 N ARG A 65 75.260 2.294 -1.359 1.00 0.00 N ATOM 922 CA ARG A 65 74.421 1.216 -0.816 1.00 0.00 C ATOM 923 C ARG A 65 74.394 -0.017 -1.732 1.00 0.00 C ATOM 924 O ARG A 65 73.420 -0.768 -1.742 1.00 0.00 O ATOM 925 CB ARG A 65 72.992 1.734 -0.609 1.00 0.00 C ATOM 926 CG ARG A 65 72.226 0.812 0.375 1.00 0.00 C ATOM 927 CD ARG A 65 72.369 1.314 1.827 1.00 0.00 C ATOM 928 NE ARG A 65 71.221 2.140 2.201 1.00 0.00 N ATOM 929 CZ ARG A 65 69.989 1.629 2.260 1.00 0.00 C ATOM 930 NH1 ARG A 65 69.789 0.371 1.974 1.00 0.00 N ATOM 931 NH2 ARG A 65 68.981 2.384 2.603 1.00 0.00 N1+ ATOM 0 H ARG A 65 74.755 2.978 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 65 74.854 0.909 0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 65 73.019 2.752 -0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 65 72.469 1.772 -1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 65 71.172 0.777 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 65 72.609 -0.206 0.299 1.00 0.00 H new ATOM 0 HD2 ARG A 65 72.449 0.464 2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 65 73.288 1.891 1.929 1.00 0.00 H new ATOM 0 HE ARG A 65 71.365 3.126 2.421 1.00 0.00 H new ATOM 0 HH11 ARG A 65 70.574 -0.222 1.705 1.00 0.00 H new ATOM 0 HH12 ARG A 65 68.848 -0.019 2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 65 69.133 3.367 2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 65 68.041 1.991 2.647 1.00 0.00 H new ATOM 945 N CYS A 66 75.467 -0.241 -2.479 1.00 0.00 N ATOM 946 CA CYS A 66 75.543 -1.426 -3.353 1.00 0.00 C ATOM 947 C CYS A 66 76.123 -2.614 -2.567 1.00 0.00 C ATOM 948 O CYS A 66 76.903 -2.406 -1.639 1.00 0.00 O ATOM 949 CB CYS A 66 76.443 -1.151 -4.560 1.00 0.00 C ATOM 950 SG CYS A 66 75.743 0.164 -5.582 1.00 0.00 S ATOM 0 H CYS A 66 76.288 0.364 -2.505 1.00 0.00 H new ATOM 0 HA CYS A 66 74.536 -1.658 -3.700 1.00 0.00 H new ATOM 0 HB2 CYS A 66 77.439 -0.866 -4.221 1.00 0.00 H new ATOM 0 HB3 CYS A 66 76.556 -2.059 -5.152 1.00 0.00 H new ATOM 955 N PRO A 67 75.782 -3.845 -2.902 1.00 0.00 N ATOM 956 CA PRO A 67 76.322 -5.037 -2.180 1.00 0.00 C ATOM 957 C PRO A 67 77.740 -5.431 -2.629 1.00 0.00 C ATOM 958 O PRO A 67 78.298 -4.864 -3.571 1.00 0.00 O ATOM 959 CB PRO A 67 75.305 -6.138 -2.497 1.00 0.00 C ATOM 960 CG PRO A 67 74.750 -5.783 -3.845 1.00 0.00 C ATOM 961 CD PRO A 67 74.852 -4.251 -3.983 1.00 0.00 C ATOM 0 HA PRO A 67 76.435 -4.844 -1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 67 75.779 -7.120 -2.512 1.00 0.00 H new ATOM 0 HB3 PRO A 67 74.518 -6.176 -1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 67 75.311 -6.280 -4.636 1.00 0.00 H new ATOM 0 HG3 PRO A 67 73.714 -6.111 -3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 67 75.233 -3.965 -4.963 1.00 0.00 H new ATOM 0 HD3 PRO A 67 73.878 -3.776 -3.868 1.00 0.00 H new ATOM 969 N CYS A 68 78.311 -6.412 -1.919 1.00 0.00 N ATOM 970 CA CYS A 68 79.661 -6.917 -2.200 1.00 0.00 C ATOM 971 C CYS A 68 79.576 -8.359 -2.719 1.00 0.00 C ATOM 972 O CYS A 68 78.737 -9.138 -2.268 1.00 0.00 O ATOM 973 CB CYS A 68 80.500 -6.863 -0.910 1.00 0.00 C ATOM 974 SG CYS A 68 81.562 -5.392 -0.907 1.00 0.00 S ATOM 0 H CYS A 68 77.852 -6.877 -1.136 1.00 0.00 H new ATOM 0 HA CYS A 68 80.135 -6.299 -2.962 1.00 0.00 H new ATOM 0 HB2 CYS A 68 79.842 -6.846 -0.041 1.00 0.00 H new ATOM 0 HB3 CYS A 68 81.112 -7.761 -0.829 1.00 0.00 H new ATOM 979 N PHE A 69 80.421 -8.697 -3.697 1.00 0.00 N ATOM 980 CA PHE A 69 80.404 -10.034 -4.311 1.00 0.00 C ATOM 981 C PHE A 69 81.554 -10.896 -3.777 1.00 0.00 C ATOM 982 O PHE A 69 82.694 -10.441 -3.678 1.00 0.00 O ATOM 983 CB PHE A 69 80.557 -9.884 -5.833 1.00 0.00 C ATOM 984 CG PHE A 69 79.269 -9.429 -6.519 1.00 0.00 C ATOM 985 CD1 PHE A 69 78.142 -8.957 -5.805 1.00 0.00 C ATOM 986 CD2 PHE A 69 79.217 -9.486 -7.917 1.00 0.00 C ATOM 987 CE1 PHE A 69 76.993 -8.553 -6.499 1.00 0.00 C ATOM 988 CE2 PHE A 69 78.065 -9.079 -8.602 1.00 0.00 C ATOM 989 CZ PHE A 69 76.956 -8.615 -7.892 1.00 0.00 C ATOM 0 H PHE A 69 81.125 -8.067 -4.082 1.00 0.00 H new ATOM 0 HA PHE A 69 79.460 -10.521 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 69 81.349 -9.165 -6.044 1.00 0.00 H new ATOM 0 HB3 PHE A 69 80.871 -10.838 -6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 69 78.167 -8.908 -4.726 1.00 0.00 H new ATOM 0 HD2 PHE A 69 80.071 -9.846 -8.471 1.00 0.00 H new ATOM 0 HE1 PHE A 69 76.134 -8.193 -5.953 1.00 0.00 H new ATOM 0 HE2 PHE A 69 78.035 -9.124 -9.681 1.00 0.00 H new ATOM 0 HZ PHE A 69 76.068 -8.304 -8.422 1.00 0.00 H new ATOM 999 N HIS A 70 81.238 -12.145 -3.434 1.00 0.00 N ATOM 1000 CA HIS A 70 82.243 -13.069 -2.911 1.00 0.00 C ATOM 1001 C HIS A 70 81.849 -14.522 -3.220 1.00 0.00 C ATOM 1002 O HIS A 70 80.823 -15.013 -2.746 1.00 0.00 O ATOM 1003 CB HIS A 70 82.377 -12.850 -1.382 1.00 0.00 C ATOM 1004 CG HIS A 70 83.829 -12.779 -0.973 1.00 0.00 C ATOM 1005 ND1 HIS A 70 84.790 -12.164 -1.761 1.00 0.00 N ATOM 1006 CD2 HIS A 70 84.494 -13.234 0.139 1.00 0.00 C ATOM 1007 CE1 HIS A 70 85.967 -12.264 -1.119 1.00 0.00 C ATOM 1008 NE2 HIS A 70 85.844 -12.907 0.044 1.00 0.00 N ATOM 0 H HIS A 70 80.300 -12.538 -3.508 1.00 0.00 H new ATOM 0 HA HIS A 70 83.203 -12.876 -3.390 1.00 0.00 H new ATOM 0 HB2 HIS A 70 81.869 -11.929 -1.097 1.00 0.00 H new ATOM 0 HB3 HIS A 70 81.884 -13.664 -0.849 1.00 0.00 H new ATOM 0 HD2 HIS A 70 84.039 -13.765 0.962 1.00 0.00 H new ATOM 0 HE1 HIS A 70 86.899 -11.872 -1.498 1.00 0.00 H new ATOM 0 HE2 HIS A 70 86.581 -13.114 0.718 1.00 0.00 H new ATOM 1016 N GLN A 71 82.687 -15.200 -4.004 1.00 0.00 N ATOM 1017 CA GLN A 71 82.455 -16.603 -4.368 1.00 0.00 C ATOM 1018 C GLN A 71 80.966 -16.906 -4.545 1.00 0.00 C ATOM 1019 O GLN A 71 80.416 -17.773 -3.869 1.00 0.00 O ATOM 1020 CB GLN A 71 83.043 -17.519 -3.286 1.00 0.00 C ATOM 1021 CG GLN A 71 84.580 -17.583 -3.423 1.00 0.00 C ATOM 1022 CD GLN A 71 84.989 -18.706 -4.376 1.00 0.00 C ATOM 1023 OE1 GLN A 71 85.243 -18.464 -5.556 1.00 0.00 O ATOM 1024 NE2 GLN A 71 85.066 -19.930 -3.927 1.00 0.00 N ATOM 0 H GLN A 71 83.537 -14.801 -4.402 1.00 0.00 H new ATOM 0 HA GLN A 71 82.948 -16.786 -5.323 1.00 0.00 H new ATOM 0 HB2 GLN A 71 82.773 -17.147 -2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 71 82.620 -18.520 -3.376 1.00 0.00 H new ATOM 0 HG2 GLN A 71 84.958 -16.630 -3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 71 85.031 -17.747 -2.444 1.00 0.00 H new ATOM 0 HE21 GLN A 71 84.855 -20.129 -2.949 1.00 0.00 H new ATOM 0 HE22 GLN A 71 85.337 -20.687 -4.554 1.00 0.00 H new ATOM 1033 N GLY A 72 80.337 -16.222 -5.489 1.00 0.00 N ATOM 1034 CA GLY A 72 78.926 -16.459 -5.786 1.00 0.00 C ATOM 1035 C GLY A 72 78.020 -16.056 -4.630 1.00 0.00 C ATOM 1036 O GLY A 72 76.873 -15.664 -4.851 1.00 0.00 O ATOM 0 H GLY A 72 80.776 -15.501 -6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 72 78.645 -15.899 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 72 78.776 -17.515 -6.012 1.00 0.00 H new ATOM 1040 N LYS A 73 78.510 -16.160 -3.398 1.00 0.00 N ATOM 1041 CA LYS A 73 77.686 -15.801 -2.252 1.00 0.00 C ATOM 1042 C LYS A 73 77.555 -14.280 -2.156 1.00 0.00 C ATOM 1043 O LYS A 73 78.538 -13.550 -2.280 1.00 0.00 O ATOM 1044 CB LYS A 73 78.291 -16.375 -0.947 1.00 0.00 C ATOM 1045 CG LYS A 73 77.635 -17.725 -0.604 1.00 0.00 C ATOM 1046 CD LYS A 73 78.286 -18.339 0.677 1.00 0.00 C ATOM 1047 CE LYS A 73 77.221 -18.733 1.735 1.00 0.00 C ATOM 1048 NZ LYS A 73 77.118 -17.644 2.751 1.00 0.00 N1+ ATOM 0 H LYS A 73 79.451 -16.482 -3.172 1.00 0.00 H new ATOM 0 HA LYS A 73 76.694 -16.231 -2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 73 79.367 -16.505 -1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 73 78.141 -15.671 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 73 76.566 -17.587 -0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 73 77.746 -18.414 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 73 78.868 -19.219 0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.981 -17.620 1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 73 76.255 -18.893 1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 73 77.497 -19.671 2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 76.929 -18.058 3.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 78.011 -17.113 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 76.342 -17.001 2.494 1.00 0.00 H new ATOM 1062 N GLU A 74 76.325 -13.823 -1.929 1.00 0.00 N ATOM 1063 CA GLU A 74 76.042 -12.395 -1.810 1.00 0.00 C ATOM 1064 C GLU A 74 76.141 -11.963 -0.347 1.00 0.00 C ATOM 1065 O GLU A 74 75.469 -12.521 0.521 1.00 0.00 O ATOM 1066 CB GLU A 74 74.630 -12.086 -2.343 1.00 0.00 C ATOM 1067 CG GLU A 74 74.405 -12.721 -3.750 1.00 0.00 C ATOM 1068 CD GLU A 74 74.411 -11.654 -4.848 1.00 0.00 C ATOM 1069 OE1 GLU A 74 73.426 -10.941 -4.957 1.00 0.00 O ATOM 1070 OE2 GLU A 74 75.393 -11.577 -5.565 1.00 0.00 O1- ATOM 0 H GLU A 74 75.507 -14.423 -1.824 1.00 0.00 H new ATOM 0 HA GLU A 74 76.775 -11.844 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.884 -12.467 -1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.489 -11.007 -2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 74 75.185 -13.455 -3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 74 73.454 -13.254 -3.763 1.00 0.00 H new ATOM 1077 N TYR A 75 76.976 -10.960 -0.088 1.00 0.00 N ATOM 1078 CA TYR A 75 77.164 -10.437 1.271 1.00 0.00 C ATOM 1079 C TYR A 75 76.754 -8.974 1.333 1.00 0.00 C ATOM 1080 O TYR A 75 77.119 -8.185 0.461 1.00 0.00 O ATOM 1081 CB TYR A 75 78.630 -10.575 1.677 1.00 0.00 C ATOM 1082 CG TYR A 75 78.943 -12.029 1.934 1.00 0.00 C ATOM 1083 CD1 TYR A 75 78.661 -12.592 3.185 1.00 0.00 C ATOM 1084 CD2 TYR A 75 79.511 -12.815 0.924 1.00 0.00 C ATOM 1085 CE1 TYR A 75 78.947 -13.940 3.427 1.00 0.00 C ATOM 1086 CE2 TYR A 75 79.797 -14.163 1.166 1.00 0.00 C ATOM 1087 CZ TYR A 75 79.516 -14.725 2.418 1.00 0.00 C ATOM 1088 OH TYR A 75 79.799 -16.053 2.658 1.00 0.00 O ATOM 0 H TYR A 75 77.536 -10.490 -0.799 1.00 0.00 H new ATOM 0 HA TYR A 75 76.540 -11.009 1.958 1.00 0.00 H new ATOM 0 HB2 TYR A 75 79.275 -10.186 0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 75 78.828 -9.985 2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 75 78.222 -11.985 3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 75 79.728 -12.381 -0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 75 78.729 -14.374 4.392 1.00 0.00 H new ATOM 0 HE2 TYR A 75 80.234 -14.770 0.387 1.00 0.00 H new ATOM 0 HH TYR A 75 79.772 -16.224 3.623 1.00 0.00 H new ATOM 1098 N ALA A 76 76.005 -8.609 2.369 1.00 0.00 N ATOM 1099 CA ALA A 76 75.569 -7.224 2.528 1.00 0.00 C ATOM 1100 C ALA A 76 76.707 -6.398 3.148 1.00 0.00 C ATOM 1101 O ALA A 76 77.546 -6.956 3.854 1.00 0.00 O ATOM 1102 CB ALA A 76 74.329 -7.172 3.428 1.00 0.00 C ATOM 0 H ALA A 76 75.690 -9.243 3.103 1.00 0.00 H new ATOM 0 HA ALA A 76 75.315 -6.807 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.007 -6.137 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 76 73.526 -7.753 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 76 74.571 -7.588 4.406 1.00 0.00 H new ATOM 1108 N PRO A 77 76.771 -5.101 2.920 1.00 0.00 N ATOM 1109 CA PRO A 77 77.863 -4.259 3.510 1.00 0.00 C ATOM 1110 C PRO A 77 77.880 -4.319 5.044 1.00 0.00 C ATOM 1111 O PRO A 77 76.834 -4.244 5.689 1.00 0.00 O ATOM 1112 CB PRO A 77 77.539 -2.830 3.020 1.00 0.00 C ATOM 1113 CG PRO A 77 76.651 -3.010 1.834 1.00 0.00 C ATOM 1114 CD PRO A 77 75.852 -4.285 2.094 1.00 0.00 C ATOM 0 HA PRO A 77 78.850 -4.605 3.203 1.00 0.00 H new ATOM 0 HB2 PRO A 77 77.042 -2.251 3.798 1.00 0.00 H new ATOM 0 HB3 PRO A 77 78.448 -2.291 2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 77 75.989 -2.153 1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 77 77.236 -3.096 0.918 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.919 -4.075 2.618 1.00 0.00 H new ATOM 0 HD3 PRO A 77 75.589 -4.791 1.165 1.00 0.00 H new ATOM 1122 N GLY A 78 79.082 -4.415 5.615 1.00 0.00 N ATOM 1123 CA GLY A 78 79.241 -4.447 7.073 1.00 0.00 C ATOM 1124 C GLY A 78 79.260 -5.881 7.610 1.00 0.00 C ATOM 1125 O GLY A 78 79.583 -6.103 8.777 1.00 0.00 O ATOM 0 H GLY A 78 79.957 -4.472 5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 78 80.167 -3.943 7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 78 78.426 -3.894 7.540 1.00 0.00 H new ATOM 1129 N GLU A 79 78.937 -6.852 6.760 1.00 0.00 N ATOM 1130 CA GLU A 79 78.956 -8.254 7.187 1.00 0.00 C ATOM 1131 C GLU A 79 80.398 -8.767 7.236 1.00 0.00 C ATOM 1132 O GLU A 79 81.290 -8.222 6.584 1.00 0.00 O ATOM 1133 CB GLU A 79 78.111 -9.125 6.228 1.00 0.00 C ATOM 1134 CG GLU A 79 76.589 -9.064 6.591 1.00 0.00 C ATOM 1135 CD GLU A 79 75.980 -10.467 6.755 1.00 0.00 C ATOM 1136 OE1 GLU A 79 76.624 -11.435 6.383 1.00 0.00 O ATOM 1137 OE2 GLU A 79 74.875 -10.550 7.266 1.00 0.00 O1- ATOM 0 H GLU A 79 78.663 -6.702 5.789 1.00 0.00 H new ATOM 0 HA GLU A 79 78.522 -8.320 8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 79 78.256 -8.785 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 79 78.456 -10.158 6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 79 76.459 -8.502 7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 79 76.052 -8.524 5.811 1.00 0.00 H new ATOM 1144 N THR A 80 80.618 -9.787 8.067 1.00 0.00 N ATOM 1145 CA THR A 80 81.956 -10.354 8.277 1.00 0.00 C ATOM 1146 C THR A 80 82.067 -11.755 7.693 1.00 0.00 C ATOM 1147 O THR A 80 81.132 -12.550 7.781 1.00 0.00 O ATOM 1148 CB THR A 80 82.225 -10.451 9.777 1.00 0.00 C ATOM 1149 OG1 THR A 80 81.761 -9.273 10.417 1.00 0.00 O ATOM 1150 CG2 THR A 80 83.727 -10.617 10.036 1.00 0.00 C ATOM 0 H THR A 80 79.884 -10.241 8.610 1.00 0.00 H new ATOM 0 HA THR A 80 82.677 -9.703 7.781 1.00 0.00 H new ATOM 0 HB THR A 80 81.699 -11.318 10.177 1.00 0.00 H new ATOM 0 HG1 THR A 80 81.932 -9.335 11.380 1.00 0.00 H new ATOM 0 HG21 THR A 80 83.906 -10.685 11.109 1.00 0.00 H new ATOM 0 HG22 THR A 80 84.082 -11.526 9.551 1.00 0.00 H new ATOM 0 HG23 THR A 80 84.263 -9.758 9.633 1.00 0.00 H new ATOM 1158 N VAL A 81 83.243 -12.069 7.159 1.00 0.00 N ATOM 1159 CA VAL A 81 83.509 -13.400 6.621 1.00 0.00 C ATOM 1160 C VAL A 81 84.984 -13.736 6.793 1.00 0.00 C ATOM 1161 O VAL A 81 85.844 -12.868 6.666 1.00 0.00 O ATOM 1162 CB VAL A 81 83.138 -13.453 5.141 1.00 0.00 C ATOM 1163 CG1 VAL A 81 81.692 -12.979 4.976 1.00 0.00 C ATOM 1164 CG2 VAL A 81 84.086 -12.549 4.334 1.00 0.00 C ATOM 0 H VAL A 81 84.027 -11.421 7.087 1.00 0.00 H new ATOM 0 HA VAL A 81 82.906 -14.128 7.163 1.00 0.00 H new ATOM 0 HB VAL A 81 83.232 -14.474 4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 81 81.416 -13.013 3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 81 81.029 -13.630 5.546 1.00 0.00 H new ATOM 0 HG13 VAL A 81 81.600 -11.957 5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 81 83.817 -12.590 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 81 84.001 -11.522 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 81 85.112 -12.893 4.461 1.00 0.00 H new ATOM 1174 N LYS A 82 85.270 -15.002 7.093 1.00 0.00 N ATOM 1175 CA LYS A 82 86.647 -15.456 7.303 1.00 0.00 C ATOM 1176 C LYS A 82 86.936 -16.685 6.446 1.00 0.00 C ATOM 1177 O LYS A 82 86.118 -17.602 6.362 1.00 0.00 O ATOM 1178 CB LYS A 82 86.836 -15.787 8.783 1.00 0.00 C ATOM 1179 CG LYS A 82 88.275 -16.226 9.053 1.00 0.00 C ATOM 1180 CD LYS A 82 88.481 -16.330 10.567 1.00 0.00 C ATOM 1181 CE LYS A 82 89.833 -16.974 10.872 1.00 0.00 C ATOM 1182 NZ LYS A 82 89.932 -18.273 10.149 1.00 0.00 N1+ ATOM 0 H LYS A 82 84.567 -15.734 7.197 1.00 0.00 H new ATOM 0 HA LYS A 82 87.341 -14.668 7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.595 -14.915 9.391 1.00 0.00 H new ATOM 0 HB3 LYS A 82 86.147 -16.579 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 82 88.472 -17.187 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 82 88.975 -15.509 8.625 1.00 0.00 H new ATOM 0 HD2 LYS A 82 88.432 -15.338 11.017 1.00 0.00 H new ATOM 0 HD3 LYS A 82 87.680 -16.921 11.011 1.00 0.00 H new ATOM 0 HE2 LYS A 82 90.642 -16.311 10.566 1.00 0.00 H new ATOM 0 HE3 LYS A 82 89.940 -17.132 11.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 90.686 -18.850 10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 89.026 -18.779 10.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 90.153 -18.097 9.148 1.00 0.00 H new ATOM 1196 N ILE A 83 88.101 -16.689 5.797 1.00 0.00 N ATOM 1197 CA ILE A 83 88.505 -17.804 4.929 1.00 0.00 C ATOM 1198 C ILE A 83 89.873 -18.308 5.360 1.00 0.00 C ATOM 1199 O ILE A 83 90.803 -17.513 5.490 1.00 0.00 O ATOM 1200 CB ILE A 83 88.601 -17.322 3.472 1.00 0.00 C ATOM 1201 CG1 ILE A 83 87.274 -16.628 3.031 1.00 0.00 C ATOM 1202 CG2 ILE A 83 88.882 -18.532 2.569 1.00 0.00 C ATOM 1203 CD1 ILE A 83 87.588 -15.311 2.309 1.00 0.00 C ATOM 0 H ILE A 83 88.784 -15.934 5.854 1.00 0.00 H new ATOM 0 HA ILE A 83 87.765 -18.601 5.008 1.00 0.00 H new ATOM 0 HB ILE A 83 89.409 -16.595 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 83 86.710 -17.288 2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 83 86.648 -16.435 3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 83 88.952 -18.204 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 83 89.821 -18.998 2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 83 88.072 -19.255 2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 83 86.657 -14.832 2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 83 88.134 -14.649 2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 83 88.196 -15.515 1.428 1.00 0.00 H new ATOM 1215 N GLY A 84 89.999 -19.614 5.570 1.00 0.00 N ATOM 1216 CA GLY A 84 91.278 -20.181 5.990 1.00 0.00 C ATOM 1217 C GLY A 84 91.742 -19.510 7.277 1.00 0.00 C ATOM 1218 O GLY A 84 91.614 -20.072 8.365 1.00 0.00 O ATOM 0 H GLY A 84 89.245 -20.292 5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.177 -21.255 6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.023 -20.041 5.207 1.00 0.00 H new ATOM 1222 N CYS A 85 92.280 -18.300 7.141 1.00 0.00 N ATOM 1223 CA CYS A 85 92.762 -17.539 8.290 1.00 0.00 C ATOM 1224 C CYS A 85 92.522 -16.038 8.078 1.00 0.00 C ATOM 1225 O CYS A 85 92.069 -15.335 8.982 1.00 0.00 O ATOM 1226 CB CYS A 85 94.257 -17.833 8.485 1.00 0.00 C ATOM 1227 SG CYS A 85 94.641 -18.060 10.242 1.00 0.00 S ATOM 0 H CYS A 85 92.393 -17.826 6.245 1.00 0.00 H new ATOM 0 HA CYS A 85 92.216 -17.837 9.185 1.00 0.00 H new ATOM 0 HB2 CYS A 85 94.532 -18.729 7.929 1.00 0.00 H new ATOM 0 HB3 CYS A 85 94.850 -17.012 8.081 1.00 0.00 H new ATOM 1232 N ASN A 86 92.809 -15.562 6.872 1.00 0.00 N ATOM 1233 CA ASN A 86 92.609 -14.154 6.546 1.00 0.00 C ATOM 1234 C ASN A 86 91.132 -13.785 6.717 1.00 0.00 C ATOM 1235 O ASN A 86 90.246 -14.592 6.436 1.00 0.00 O ATOM 1236 CB ASN A 86 93.062 -13.884 5.096 1.00 0.00 C ATOM 1237 CG ASN A 86 93.596 -12.457 4.942 1.00 0.00 C ATOM 1238 OD1 ASN A 86 93.229 -11.533 5.787 1.00 0.00 O flip ATOM 1239 ND2 ASN A 86 94.368 -12.183 4.026 1.00 0.00 N flip ATOM 0 H ASN A 86 93.179 -16.126 6.107 1.00 0.00 H new ATOM 0 HA ASN A 86 93.205 -13.540 7.222 1.00 0.00 H new ATOM 0 HB2 ASN A 86 93.836 -14.598 4.815 1.00 0.00 H new ATOM 0 HB3 ASN A 86 92.225 -14.038 4.415 1.00 0.00 H new ATOM 0 HD21 ASN A 86 94.654 -12.907 3.366 1.00 0.00 H new ATOM 0 HD22 ASN A 86 94.723 -11.232 3.925 1.00 0.00 H new ATOM 1246 N THR A 87 90.873 -12.547 7.141 1.00 0.00 N ATOM 1247 CA THR A 87 89.501 -12.060 7.307 1.00 0.00 C ATOM 1248 C THR A 87 89.342 -10.723 6.583 1.00 0.00 C ATOM 1249 O THR A 87 90.014 -9.746 6.912 1.00 0.00 O ATOM 1250 CB THR A 87 89.188 -11.886 8.799 1.00 0.00 C ATOM 1251 OG1 THR A 87 89.309 -13.144 9.451 1.00 0.00 O ATOM 1252 CG2 THR A 87 87.765 -11.355 8.977 1.00 0.00 C ATOM 0 H THR A 87 91.593 -11.864 7.376 1.00 0.00 H new ATOM 0 HA THR A 87 88.807 -12.784 6.881 1.00 0.00 H new ATOM 0 HB THR A 87 89.890 -11.174 9.234 1.00 0.00 H new ATOM 0 HG1 THR A 87 89.112 -13.038 10.405 1.00 0.00 H new ATOM 0 HG21 THR A 87 87.552 -11.235 10.039 1.00 0.00 H new ATOM 0 HG22 THR A 87 87.671 -10.391 8.477 1.00 0.00 H new ATOM 0 HG23 THR A 87 87.057 -12.060 8.542 1.00 0.00 H new ATOM 1260 N CYS A 88 88.437 -10.691 5.599 1.00 0.00 N ATOM 1261 CA CYS A 88 88.180 -9.472 4.820 1.00 0.00 C ATOM 1262 C CYS A 88 86.772 -8.956 5.091 1.00 0.00 C ATOM 1263 O CYS A 88 85.882 -9.720 5.465 1.00 0.00 O ATOM 1264 CB CYS A 88 88.364 -9.756 3.329 1.00 0.00 C ATOM 1265 SG CYS A 88 90.086 -10.241 3.025 1.00 0.00 S ATOM 0 H CYS A 88 87.871 -11.493 5.322 1.00 0.00 H new ATOM 0 HA CYS A 88 88.893 -8.705 5.123 1.00 0.00 H new ATOM 0 HB2 CYS A 88 87.688 -10.550 3.011 1.00 0.00 H new ATOM 0 HB3 CYS A 88 88.114 -8.871 2.744 1.00 0.00 H new ATOM 1270 N VAL A 89 86.584 -7.643 4.935 1.00 0.00 N ATOM 1271 CA VAL A 89 85.284 -7.013 5.203 1.00 0.00 C ATOM 1272 C VAL A 89 84.909 -6.051 4.068 1.00 0.00 C ATOM 1273 O VAL A 89 85.746 -5.283 3.593 1.00 0.00 O ATOM 1274 CB VAL A 89 85.344 -6.247 6.538 1.00 0.00 C ATOM 1275 CG1 VAL A 89 83.926 -6.045 7.083 1.00 0.00 C ATOM 1276 CG2 VAL A 89 86.161 -7.043 7.561 1.00 0.00 C ATOM 0 H VAL A 89 87.310 -6.996 4.626 1.00 0.00 H new ATOM 0 HA VAL A 89 84.524 -7.791 5.265 1.00 0.00 H new ATOM 0 HB VAL A 89 85.815 -5.279 6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 89 83.973 -5.503 8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 89 83.338 -5.473 6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 89 83.457 -7.015 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 89 86.199 -6.495 8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 89 85.693 -8.014 7.725 1.00 0.00 H new ATOM 0 HG23 VAL A 89 87.174 -7.188 7.185 1.00 0.00 H new ATOM 1286 N CYS A 90 83.648 -6.108 3.630 1.00 0.00 N ATOM 1287 CA CYS A 90 83.176 -5.245 2.547 1.00 0.00 C ATOM 1288 C CYS A 90 83.163 -3.780 2.978 1.00 0.00 C ATOM 1289 O CYS A 90 82.642 -3.428 4.035 1.00 0.00 O ATOM 1290 CB CYS A 90 81.770 -5.661 2.111 1.00 0.00 C ATOM 1291 SG CYS A 90 81.157 -4.499 0.861 1.00 0.00 S ATOM 0 H CYS A 90 82.941 -6.739 4.007 1.00 0.00 H new ATOM 0 HA CYS A 90 83.864 -5.356 1.709 1.00 0.00 H new ATOM 0 HB2 CYS A 90 81.788 -6.672 1.705 1.00 0.00 H new ATOM 0 HB3 CYS A 90 81.100 -5.674 2.971 1.00 0.00 H new ATOM 1296 N ARG A 91 83.758 -2.946 2.141 1.00 0.00 N ATOM 1297 CA ARG A 91 83.854 -1.514 2.394 1.00 0.00 C ATOM 1298 C ARG A 91 84.045 -0.772 1.075 1.00 0.00 C ATOM 1299 O ARG A 91 84.949 -1.086 0.302 1.00 0.00 O ATOM 1300 CB ARG A 91 85.067 -1.245 3.297 1.00 0.00 C ATOM 1301 CG ARG A 91 85.141 0.249 3.694 1.00 0.00 C ATOM 1302 CD ARG A 91 86.605 0.657 3.906 1.00 0.00 C ATOM 1303 NE ARG A 91 86.688 1.898 4.679 1.00 0.00 N ATOM 1304 CZ ARG A 91 86.812 1.883 6.005 1.00 0.00 C ATOM 1305 NH1 ARG A 91 86.838 0.744 6.647 1.00 0.00 N ATOM 1306 NH2 ARG A 91 86.909 3.003 6.669 1.00 0.00 N1+ ATOM 0 H ARG A 91 84.189 -3.241 1.265 1.00 0.00 H new ATOM 0 HA ARG A 91 82.941 -1.169 2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 91 85.001 -1.861 4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 91 85.982 -1.533 2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 91 84.691 0.865 2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 91 84.570 0.421 4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 91 87.138 -0.138 4.427 1.00 0.00 H new ATOM 0 HD3 ARG A 91 87.094 0.790 2.941 1.00 0.00 H new ATOM 0 HE ARG A 91 86.650 2.793 4.191 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.763 -0.133 6.132 1.00 0.00 H new ATOM 0 HH12 ARG A 91 86.933 0.733 7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 91 86.890 3.894 6.172 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.004 2.987 7.684 1.00 0.00 H new ATOM 1320 N ASP A 92 83.201 0.224 0.829 1.00 0.00 N ATOM 1321 CA ASP A 92 83.298 1.016 -0.391 1.00 0.00 C ATOM 1322 C ASP A 92 83.364 0.105 -1.623 1.00 0.00 C ATOM 1323 O ASP A 92 84.380 0.018 -2.310 1.00 0.00 O ATOM 1324 CB ASP A 92 84.522 1.970 -0.301 1.00 0.00 C ATOM 1325 CG ASP A 92 84.074 3.428 -0.149 1.00 0.00 C ATOM 1326 OD1 ASP A 92 83.789 4.049 -1.159 1.00 0.00 O1- ATOM 1327 OD2 ASP A 92 84.029 3.897 0.976 1.00 0.00 O ATOM 0 H ASP A 92 82.445 0.501 1.455 1.00 0.00 H new ATOM 0 HA ASP A 92 82.403 1.629 -0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 92 85.146 1.688 0.547 1.00 0.00 H new ATOM 0 HB3 ASP A 92 85.135 1.866 -1.196 1.00 0.00 H new ATOM 1332 N ARG A 93 82.242 -0.551 -1.891 1.00 0.00 N ATOM 1333 CA ARG A 93 82.109 -1.440 -3.039 1.00 0.00 C ATOM 1334 C ARG A 93 83.325 -2.352 -3.205 1.00 0.00 C ATOM 1335 O ARG A 93 83.514 -2.952 -4.261 1.00 0.00 O ATOM 1336 CB ARG A 93 81.872 -0.609 -4.321 1.00 0.00 C ATOM 1337 CG ARG A 93 83.191 -0.013 -4.888 1.00 0.00 C ATOM 1338 CD ARG A 93 82.996 0.415 -6.354 1.00 0.00 C ATOM 1339 NE ARG A 93 82.409 1.746 -6.416 1.00 0.00 N ATOM 1340 CZ ARG A 93 81.093 1.920 -6.435 1.00 0.00 C ATOM 1341 NH1 ARG A 93 80.299 0.886 -6.389 1.00 0.00 N ATOM 1342 NH2 ARG A 93 80.595 3.125 -6.495 1.00 0.00 N1+ ATOM 0 H ARG A 93 81.400 -0.482 -1.320 1.00 0.00 H new ATOM 0 HA ARG A 93 81.249 -2.086 -2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 93 81.405 -1.238 -5.078 1.00 0.00 H new ATOM 0 HB3 ARG A 93 81.174 0.200 -4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 93 83.498 0.845 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 93 83.990 -0.751 -4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 93 83.954 0.408 -6.873 1.00 0.00 H new ATOM 0 HD3 ARG A 93 82.351 -0.299 -6.866 1.00 0.00 H new ATOM 0 HE ARG A 93 83.021 2.561 -6.445 1.00 0.00 H new ATOM 0 HH11 ARG A 93 80.689 -0.055 -6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 93 79.288 1.018 -6.404 1.00 0.00 H new ATOM 0 HH21 ARG A 93 81.217 3.933 -6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 93 79.584 3.259 -6.510 1.00 0.00 H new ATOM 1356 N LYS A 94 84.162 -2.432 -2.179 1.00 0.00 N ATOM 1357 CA LYS A 94 85.381 -3.247 -2.252 1.00 0.00 C ATOM 1358 C LYS A 94 85.613 -3.915 -0.900 1.00 0.00 C ATOM 1359 O LYS A 94 84.978 -3.565 0.086 1.00 0.00 O ATOM 1360 CB LYS A 94 86.579 -2.325 -2.634 1.00 0.00 C ATOM 1361 CG LYS A 94 87.352 -2.824 -3.908 1.00 0.00 C ATOM 1362 CD LYS A 94 87.628 -1.657 -4.923 1.00 0.00 C ATOM 1363 CE LYS A 94 86.867 -1.874 -6.251 1.00 0.00 C ATOM 1364 NZ LYS A 94 86.577 -0.552 -6.875 1.00 0.00 N1+ ATOM 0 H LYS A 94 84.027 -1.949 -1.291 1.00 0.00 H new ATOM 0 HA LYS A 94 85.282 -4.024 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 94 86.211 -1.314 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 94 87.271 -2.270 -1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 94 88.298 -3.273 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 94 86.772 -3.604 -4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 94 87.326 -0.708 -4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 94 88.698 -1.590 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 94 87.462 -2.486 -6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 94 85.938 -2.414 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 86.065 -0.695 -7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 85.993 0.016 -6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 87.470 -0.054 -7.064 1.00 0.00 H new ATOM 1378 N TRP A 95 86.531 -4.879 -0.865 1.00 0.00 N ATOM 1379 CA TRP A 95 86.851 -5.595 0.366 1.00 0.00 C ATOM 1380 C TRP A 95 88.206 -5.135 0.886 1.00 0.00 C ATOM 1381 O TRP A 95 89.166 -5.008 0.127 1.00 0.00 O ATOM 1382 CB TRP A 95 86.860 -7.102 0.082 1.00 0.00 C ATOM 1383 CG TRP A 95 85.451 -7.593 -0.062 1.00 0.00 C ATOM 1384 CD1 TRP A 95 84.696 -7.475 -1.178 1.00 0.00 C ATOM 1385 CD2 TRP A 95 84.621 -8.273 0.925 1.00 0.00 C ATOM 1386 NE1 TRP A 95 83.455 -8.040 -0.940 1.00 0.00 N ATOM 1387 CE2 TRP A 95 83.362 -8.550 0.344 1.00 0.00 C ATOM 1388 CE3 TRP A 95 84.840 -8.673 2.254 1.00 0.00 C ATOM 1389 CZ2 TRP A 95 82.355 -9.205 1.063 1.00 0.00 C ATOM 1390 CZ3 TRP A 95 83.829 -9.327 2.976 1.00 0.00 C ATOM 1391 CH2 TRP A 95 82.590 -9.593 2.380 1.00 0.00 C ATOM 0 H TRP A 95 87.067 -5.182 -1.678 1.00 0.00 H new ATOM 0 HA TRP A 95 86.101 -5.384 1.128 1.00 0.00 H new ATOM 0 HB2 TRP A 95 87.423 -7.308 -0.829 1.00 0.00 H new ATOM 0 HB3 TRP A 95 87.360 -7.632 0.892 1.00 0.00 H new ATOM 0 HD1 TRP A 95 85.010 -7.015 -2.103 1.00 0.00 H new ATOM 0 HE1 TRP A 95 82.701 -8.076 -1.626 1.00 0.00 H new ATOM 0 HE3 TRP A 95 85.793 -8.476 2.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 81.401 -9.408 0.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 84.008 -9.627 3.998 1.00 0.00 H new ATOM 0 HH2 TRP A 95 81.818 -10.098 2.941 1.00 0.00 H new ATOM 1402 N ASN A 96 88.279 -4.918 2.198 1.00 0.00 N ATOM 1403 CA ASN A 96 89.524 -4.507 2.852 1.00 0.00 C ATOM 1404 C ASN A 96 89.773 -5.411 4.051 1.00 0.00 C ATOM 1405 O ASN A 96 88.894 -5.590 4.895 1.00 0.00 O ATOM 1406 CB ASN A 96 89.424 -3.040 3.301 1.00 0.00 C ATOM 1407 CG ASN A 96 89.673 -2.101 2.119 1.00 0.00 C ATOM 1408 OD1 ASN A 96 90.147 -2.536 1.069 1.00 0.00 O ATOM 1409 ND2 ASN A 96 89.394 -0.828 2.234 1.00 0.00 N ATOM 0 H ASN A 96 87.488 -5.020 2.833 1.00 0.00 H new ATOM 0 HA ASN A 96 90.355 -4.595 2.152 1.00 0.00 H new ATOM 0 HB2 ASN A 96 88.438 -2.849 3.723 1.00 0.00 H new ATOM 0 HB3 ASN A 96 90.152 -2.844 4.089 1.00 0.00 H new ATOM 0 HD21 ASN A 96 89.569 -0.195 1.454 1.00 0.00 H new ATOM 0 HD22 ASN A 96 89.001 -0.469 3.104 1.00 0.00 H new ATOM 1416 N CYS A 97 90.954 -6.027 4.093 1.00 0.00 N ATOM 1417 CA CYS A 97 91.289 -6.968 5.166 1.00 0.00 C ATOM 1418 C CYS A 97 92.276 -6.352 6.156 1.00 0.00 C ATOM 1419 O CYS A 97 92.741 -5.228 5.961 1.00 0.00 O ATOM 1420 CB CYS A 97 91.847 -8.264 4.544 1.00 0.00 C ATOM 1421 SG CYS A 97 91.111 -8.501 2.902 1.00 0.00 S ATOM 0 H CYS A 97 91.692 -5.894 3.402 1.00 0.00 H new ATOM 0 HA CYS A 97 90.387 -7.205 5.730 1.00 0.00 H new ATOM 0 HB2 CYS A 97 92.933 -8.206 4.464 1.00 0.00 H new ATOM 0 HB3 CYS A 97 91.620 -9.116 5.184 1.00 0.00 H new ATOM 1426 N THR A 98 92.422 -7.005 7.308 1.00 0.00 N ATOM 1427 CA THR A 98 93.167 -6.425 8.424 1.00 0.00 C ATOM 1428 C THR A 98 94.562 -5.914 8.055 1.00 0.00 C ATOM 1429 O THR A 98 94.785 -4.710 8.073 1.00 0.00 O ATOM 1430 CB THR A 98 93.305 -7.537 9.498 1.00 0.00 C ATOM 1431 OG1 THR A 98 93.121 -8.799 8.870 1.00 0.00 O ATOM 1432 CG2 THR A 98 92.250 -7.377 10.606 1.00 0.00 C ATOM 0 H THR A 98 92.036 -7.931 7.492 1.00 0.00 H new ATOM 0 HA THR A 98 92.617 -5.551 8.774 1.00 0.00 H new ATOM 0 HB THR A 98 94.294 -7.463 9.950 1.00 0.00 H new ATOM 0 HG1 THR A 98 93.207 -9.512 9.537 1.00 0.00 H new ATOM 0 HG21 THR A 98 92.373 -8.171 11.343 1.00 0.00 H new ATOM 0 HG22 THR A 98 92.376 -6.409 11.091 1.00 0.00 H new ATOM 0 HG23 THR A 98 91.253 -7.438 10.170 1.00 0.00 H new ATOM 1440 N ASP A 99 95.463 -6.828 7.707 1.00 0.00 N ATOM 1441 CA ASP A 99 96.858 -6.495 7.327 1.00 0.00 C ATOM 1442 C ASP A 99 97.807 -7.578 7.830 1.00 0.00 C ATOM 1443 O ASP A 99 98.989 -7.588 7.485 1.00 0.00 O ATOM 1444 CB ASP A 99 97.330 -5.157 7.925 1.00 0.00 C ATOM 1445 CG ASP A 99 96.947 -5.079 9.397 1.00 0.00 C ATOM 1446 OD1 ASP A 99 96.808 -6.129 10.005 1.00 0.00 O ATOM 1447 OD2 ASP A 99 96.783 -3.978 9.894 1.00 0.00 O1- ATOM 0 H ASP A 99 95.259 -7.827 7.676 1.00 0.00 H new ATOM 0 HA ASP A 99 96.871 -6.422 6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 99 98.410 -5.062 7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 99 96.881 -4.327 7.380 1.00 0.00 H new ATOM 1452 N HIS A 100 97.292 -8.483 8.658 1.00 0.00 N ATOM 1453 CA HIS A 100 98.118 -9.560 9.208 1.00 0.00 C ATOM 1454 C HIS A 100 98.083 -10.760 8.277 1.00 0.00 C ATOM 1455 O HIS A 100 97.260 -10.818 7.363 1.00 0.00 O ATOM 1456 CB HIS A 100 97.607 -9.977 10.593 1.00 0.00 C ATOM 1457 CG HIS A 100 98.050 -8.982 11.633 1.00 0.00 C ATOM 1458 ND1 HIS A 100 97.419 -7.761 11.809 1.00 0.00 N ATOM 1459 CD2 HIS A 100 99.051 -9.026 12.572 1.00 0.00 C ATOM 1460 CE1 HIS A 100 98.039 -7.127 12.821 1.00 0.00 C ATOM 1461 NE2 HIS A 100 99.041 -7.854 13.322 1.00 0.00 N ATOM 0 H HIS A 100 96.318 -8.495 8.962 1.00 0.00 H new ATOM 0 HA HIS A 100 99.141 -9.197 9.303 1.00 0.00 H new ATOM 0 HB2 HIS A 100 96.519 -10.043 10.582 1.00 0.00 H new ATOM 0 HB3 HIS A 100 97.984 -10.968 10.844 1.00 0.00 H new ATOM 0 HD1 HIS A 100 96.629 -7.407 11.270 1.00 0.00 H new ATOM 0 HD2 HIS A 100 99.741 -9.846 12.708 1.00 0.00 H new ATOM 0 HE1 HIS A 100 97.760 -6.149 13.184 1.00 0.00 H new ATOM 1469 N VAL A 101 98.970 -11.722 8.516 1.00 0.00 N ATOM 1470 CA VAL A 101 99.020 -12.929 7.693 1.00 0.00 C ATOM 1471 C VAL A 101 98.414 -14.117 8.440 1.00 0.00 C ATOM 1472 O VAL A 101 98.182 -15.174 7.849 1.00 0.00 O ATOM 1473 CB VAL A 101 100.476 -13.249 7.321 1.00 0.00 C ATOM 1474 CG1 VAL A 101 100.984 -12.236 6.277 1.00 0.00 C ATOM 1475 CG2 VAL A 101 101.377 -13.200 8.590 1.00 0.00 C ATOM 0 H VAL A 101 99.660 -11.691 9.267 1.00 0.00 H new ATOM 0 HA VAL A 101 98.441 -12.750 6.787 1.00 0.00 H new ATOM 0 HB VAL A 101 100.520 -14.252 6.897 1.00 0.00 H new ATOM 0 HG11 VAL A 101 102.017 -12.468 6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 101 100.363 -12.293 5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 101 100.932 -11.229 6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 101 102.407 -13.428 8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 101 101.332 -12.204 9.030 1.00 0.00 H new ATOM 0 HG23 VAL A 101 101.024 -13.933 9.315 1.00 0.00 H new ATOM 1485 N CYS A 102 98.158 -13.953 9.739 1.00 0.00 N ATOM 1486 CA CYS A 102 97.577 -15.035 10.537 1.00 0.00 C ATOM 1487 C CYS A 102 98.639 -16.069 10.909 1.00 0.00 C ATOM 1488 O CYS A 102 98.812 -16.402 12.083 1.00 0.00 O ATOM 1489 CB CYS A 102 96.437 -15.704 9.750 1.00 0.00 C ATOM 1490 SG CYS A 102 95.102 -16.200 10.869 1.00 0.00 S ATOM 0 H CYS A 102 98.341 -13.093 10.256 1.00 0.00 H new ATOM 0 HA CYS A 102 97.179 -14.612 11.459 1.00 0.00 H new ATOM 0 HB2 CYS A 102 96.052 -15.015 8.998 1.00 0.00 H new ATOM 0 HB3 CYS A 102 96.817 -16.576 9.218 1.00 0.00 H new ATOM 1495 N ASP A 103 99.336 -16.585 9.901 1.00 0.00 N ATOM 1496 CA ASP A 103 100.367 -17.596 10.125 1.00 0.00 C ATOM 1497 C ASP A 103 101.200 -17.252 11.365 1.00 0.00 C ATOM 1498 O ASP A 103 101.437 -18.145 12.162 1.00 0.00 O ATOM 1499 CB ASP A 103 101.271 -17.679 8.875 1.00 0.00 C ATOM 1500 CG ASP A 103 101.750 -19.112 8.636 1.00 0.00 C ATOM 1501 OD1 ASP A 103 101.699 -19.899 9.569 1.00 0.00 O ATOM 1502 OD2 ASP A 103 102.151 -19.400 7.521 1.00 0.00 O1- ATOM 1503 OXT ASP A 103 101.580 -16.100 11.499 1.00 0.00 O ATOM 0 H ASP A 103 99.207 -16.322 8.924 1.00 0.00 H new ATOM 0 HA ASP A 103 99.893 -18.562 10.297 1.00 0.00 H new ATOM 0 HB2 ASP A 103 100.723 -17.325 8.002 1.00 0.00 H new ATOM 0 HB3 ASP A 103 102.131 -17.021 9.000 1.00 0.00 H new TER 1508 ASP A 103