USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 827 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 11 TYR OH : rot 30:sc= -0.49 USER MOD Set 1.2: A 25 SER OG : rot 170:sc= 0 USER MOD Set 2.1: A 1 MET N :NH3+ 146:sc= 0.47 (180deg=0) USER MOD Set 2.2: A 44 GLN : amide:sc= -0.105 K(o=0.37,f=-2.3) USER MOD Single : A 1 MET CE :methyl -109:sc= -0.655 (180deg=-1.25) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 9 CYS SG : rot 67:sc= 1.14 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot -33:sc= 1.14 USER MOD Single : A 15 HIS : no HD1:sc= -0.0384 X(o=-0.038,f=-0.41) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 29 HIS : no HD1:sc= -0.398 K(o=-0.4,f=-3.9) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0312 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00179 USER MOD Single : A 38 SER OG : rot 89:sc= 1.1 USER MOD Single : A 39 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.024) USER MOD Single : A 43 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.26) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.28) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.13) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 78:sc= 0.43 USER MOD Single : A 67 THR OG1 : rot -27:sc= 1.15 USER MOD Single : A 68 THR OG1 : rot -51:sc= -1.49 USER MOD Single : A 70 MET CE :methyl -128:sc= -0.921 (180deg=-1.1) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.738 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.0782 F(o=-0.68,f=-0.078) USER MOD Single : A 84 GLN : amide:sc= -0.888 X(o=-0.89,f=-1.1) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -52:sc= 0.392 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 140:sc= -0.364 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.108 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 24:sc= 0.14 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.814 -0.635 -0.364 1.00 0.00 N ATOM 2 CA MET A 1 1.749 -0.625 -1.483 1.00 0.00 C ATOM 3 C MET A 1 1.248 -1.512 -2.618 1.00 0.00 C ATOM 4 O MET A 1 1.238 -2.738 -2.502 1.00 0.00 O ATOM 5 CB MET A 1 3.131 -1.094 -1.024 1.00 0.00 C ATOM 6 CG MET A 1 4.277 -0.392 -1.734 1.00 0.00 C ATOM 7 SD MET A 1 5.644 0.000 -0.626 1.00 0.00 S ATOM 8 CE MET A 1 5.603 1.791 -0.658 1.00 0.00 C ATOM 0 H1 MET A 1 1.341 -0.557 0.529 1.00 0.00 H new ATOM 0 H2 MET A 1 0.160 0.169 -0.451 1.00 0.00 H new ATOM 0 H3 MET A 1 0.274 -1.524 -0.371 1.00 0.00 H new ATOM 0 HA MET A 1 1.825 0.398 -1.852 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.224 -0.929 0.049 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.215 -2.168 -1.190 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.640 -1.025 -2.543 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.909 0.527 -2.190 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.466 2.165 -1.209 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.688 2.125 -1.147 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.630 2.174 0.362 1.00 0.00 H new ATOM 18 N ASP A 2 0.834 -0.886 -3.714 1.00 0.00 N ATOM 19 CA ASP A 2 0.333 -1.619 -4.870 1.00 0.00 C ATOM 20 C ASP A 2 1.484 -2.195 -5.689 1.00 0.00 C ATOM 21 O ASP A 2 2.569 -1.617 -5.746 1.00 0.00 O ATOM 22 CB ASP A 2 -0.526 -0.706 -5.747 1.00 0.00 C ATOM 23 CG ASP A 2 -1.666 -1.450 -6.415 1.00 0.00 C ATOM 24 OD1 ASP A 2 -2.241 -2.354 -5.773 1.00 0.00 O ATOM 25 OD2 ASP A 2 -1.981 -1.130 -7.580 1.00 0.00 O ATOM 0 H ASP A 2 0.836 0.128 -3.826 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.280 -2.444 -4.508 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.931 0.102 -5.138 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.101 -0.246 -6.511 1.00 0.00 H new ATOM 30 N ASN A 3 1.240 -3.338 -6.322 1.00 0.00 N ATOM 31 CA ASN A 3 2.257 -3.993 -7.137 1.00 0.00 C ATOM 32 C ASN A 3 2.821 -3.032 -8.179 1.00 0.00 C ATOM 33 O ASN A 3 4.032 -2.974 -8.394 1.00 0.00 O ATOM 34 CB ASN A 3 1.671 -5.225 -7.828 1.00 0.00 C ATOM 35 CG ASN A 3 1.407 -6.361 -6.859 1.00 0.00 C ATOM 36 OD1 ASN A 3 1.708 -6.260 -5.670 1.00 0.00 O ATOM 37 ND2 ASN A 3 0.841 -7.451 -7.365 1.00 0.00 N ATOM 0 H ASN A 3 0.347 -3.830 -6.286 1.00 0.00 H new ATOM 0 HA ASN A 3 3.068 -4.305 -6.479 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.740 -4.951 -8.325 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.358 -5.565 -8.603 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.639 -8.248 -6.761 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.608 -7.491 -8.357 1.00 0.00 H new ATOM 44 N ARG A 4 1.935 -2.278 -8.822 1.00 0.00 N ATOM 45 CA ARG A 4 2.345 -1.320 -9.842 1.00 0.00 C ATOM 46 C ARG A 4 3.272 -0.262 -9.252 1.00 0.00 C ATOM 47 O ARG A 4 4.251 0.142 -9.881 1.00 0.00 O ATOM 48 CB ARG A 4 1.118 -0.650 -10.464 1.00 0.00 C ATOM 49 CG ARG A 4 0.577 -1.380 -11.682 1.00 0.00 C ATOM 50 CD ARG A 4 -0.498 -2.384 -11.298 1.00 0.00 C ATOM 51 NE ARG A 4 0.066 -3.690 -10.967 1.00 0.00 N ATOM 52 CZ ARG A 4 0.531 -4.541 -11.874 1.00 0.00 C ATOM 53 NH1 ARG A 4 0.501 -4.225 -13.161 1.00 0.00 N ATOM 54 NH2 ARG A 4 1.029 -5.711 -11.494 1.00 0.00 N ATOM 0 H ARG A 4 0.929 -2.312 -8.655 1.00 0.00 H new ATOM 0 HA ARG A 4 2.887 -1.861 -10.617 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.331 -0.582 -9.712 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.376 0.370 -10.748 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.166 -0.658 -12.388 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.392 -1.895 -12.191 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.060 -2.005 -10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.204 -2.492 -12.122 1.00 0.00 H new ATOM 0 HE ARG A 4 0.105 -3.963 -9.985 1.00 0.00 H new ATOM 0 HH11 ARG A 4 0.120 -3.326 -13.457 1.00 0.00 H new ATOM 0 HH12 ARG A 4 0.859 -4.881 -13.856 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.055 -5.957 -10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.386 -6.364 -12.191 1.00 0.00 H new ATOM 68 N VAL A 5 2.957 0.185 -8.040 1.00 0.00 N ATOM 69 CA VAL A 5 3.762 1.196 -7.365 1.00 0.00 C ATOM 70 C VAL A 5 5.124 0.639 -6.966 1.00 0.00 C ATOM 71 O VAL A 5 6.139 1.330 -7.054 1.00 0.00 O ATOM 72 CB VAL A 5 3.051 1.733 -6.109 1.00 0.00 C ATOM 73 CG1 VAL A 5 3.849 2.868 -5.487 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.639 2.186 -6.449 1.00 0.00 C ATOM 0 H VAL A 5 2.150 -0.137 -7.506 1.00 0.00 H new ATOM 0 HA VAL A 5 3.901 2.014 -8.072 1.00 0.00 H new ATOM 0 HB VAL A 5 2.983 0.927 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.331 3.234 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.838 2.506 -5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.951 3.679 -6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.151 2.562 -5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.681 2.977 -7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.072 1.343 -6.844 1.00 0.00 H new ATOM 84 N ARG A 6 5.138 -0.616 -6.528 1.00 0.00 N ATOM 85 CA ARG A 6 6.375 -1.267 -6.115 1.00 0.00 C ATOM 86 C ARG A 6 7.301 -1.483 -7.308 1.00 0.00 C ATOM 87 O ARG A 6 8.522 -1.402 -7.180 1.00 0.00 O ATOM 88 CB ARG A 6 6.071 -2.607 -5.442 1.00 0.00 C ATOM 89 CG ARG A 6 7.088 -3.002 -4.384 1.00 0.00 C ATOM 90 CD ARG A 6 6.568 -2.729 -2.982 1.00 0.00 C ATOM 91 NE ARG A 6 7.323 -3.459 -1.966 1.00 0.00 N ATOM 92 CZ ARG A 6 7.130 -4.743 -1.689 1.00 0.00 C ATOM 93 NH1 ARG A 6 6.211 -5.437 -2.348 1.00 0.00 N ATOM 94 NH2 ARG A 6 7.856 -5.337 -0.751 1.00 0.00 N ATOM 0 H ARG A 6 4.307 -1.202 -6.450 1.00 0.00 H new ATOM 0 HA ARG A 6 6.878 -0.615 -5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.083 -2.558 -4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.031 -3.386 -6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.327 -4.061 -4.485 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.014 -2.450 -4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.624 -1.660 -2.777 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.517 -3.010 -2.924 1.00 0.00 H new ATOM 0 HE ARG A 6 8.037 -2.955 -1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.650 -4.984 -3.070 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.065 -6.423 -2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.563 -4.807 -0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.707 -6.324 -0.539 1.00 0.00 H new ATOM 108 N GLU A 7 6.710 -1.759 -8.467 1.00 0.00 N ATOM 109 CA GLU A 7 7.483 -1.987 -9.682 1.00 0.00 C ATOM 110 C GLU A 7 8.282 -0.744 -10.061 1.00 0.00 C ATOM 111 O GLU A 7 9.417 -0.840 -10.526 1.00 0.00 O ATOM 112 CB GLU A 7 6.557 -2.383 -10.834 1.00 0.00 C ATOM 113 CG GLU A 7 6.349 -3.883 -10.960 1.00 0.00 C ATOM 114 CD GLU A 7 7.644 -4.634 -11.204 1.00 0.00 C ATOM 115 OE1 GLU A 7 8.635 -3.992 -11.611 1.00 0.00 O ATOM 116 OE2 GLU A 7 7.667 -5.863 -10.987 1.00 0.00 O ATOM 0 H GLU A 7 5.700 -1.830 -8.590 1.00 0.00 H new ATOM 0 HA GLU A 7 8.182 -2.801 -9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.589 -1.901 -10.693 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.970 -2.002 -11.768 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.882 -4.259 -10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.658 -4.083 -11.779 1.00 0.00 H new ATOM 123 N ALA A 8 7.679 0.424 -9.859 1.00 0.00 N ATOM 124 CA ALA A 8 8.334 1.686 -10.178 1.00 0.00 C ATOM 125 C ALA A 8 9.639 1.838 -9.405 1.00 0.00 C ATOM 126 O ALA A 8 10.615 2.389 -9.917 1.00 0.00 O ATOM 127 CB ALA A 8 7.403 2.853 -9.881 1.00 0.00 C ATOM 0 H ALA A 8 6.739 0.521 -9.476 1.00 0.00 H new ATOM 0 HA ALA A 8 8.571 1.686 -11.242 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.905 3.790 -10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.499 2.759 -10.482 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.138 2.847 -8.824 1.00 0.00 H new ATOM 133 N CYS A 9 9.651 1.348 -8.171 1.00 0.00 N ATOM 134 CA CYS A 9 10.837 1.431 -7.326 1.00 0.00 C ATOM 135 C CYS A 9 12.017 0.714 -7.974 1.00 0.00 C ATOM 136 O CYS A 9 13.165 1.131 -7.827 1.00 0.00 O ATOM 137 CB CYS A 9 10.552 0.828 -5.950 1.00 0.00 C ATOM 138 SG CYS A 9 12.007 0.700 -4.884 1.00 0.00 S ATOM 0 H CYS A 9 8.853 0.889 -7.733 1.00 0.00 H new ATOM 0 HA CYS A 9 11.095 2.483 -7.207 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.799 1.436 -5.448 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.123 -0.165 -6.082 1.00 0.00 H new ATOM 0 HG CYS A 9 12.420 1.892 -4.569 1.00 0.00 H new ATOM 144 N GLN A 10 11.725 -0.368 -8.689 1.00 0.00 N ATOM 145 CA GLN A 10 12.763 -1.144 -9.358 1.00 0.00 C ATOM 146 C GLN A 10 13.467 -0.309 -10.423 1.00 0.00 C ATOM 147 O GLN A 10 14.693 -0.329 -10.532 1.00 0.00 O ATOM 148 CB GLN A 10 12.162 -2.399 -9.992 1.00 0.00 C ATOM 149 CG GLN A 10 13.186 -3.274 -10.698 1.00 0.00 C ATOM 150 CD GLN A 10 13.979 -4.137 -9.736 1.00 0.00 C ATOM 151 OE1 GLN A 10 15.116 -3.816 -9.390 1.00 0.00 O ATOM 152 NE2 GLN A 10 13.381 -5.239 -9.298 1.00 0.00 N ATOM 0 H GLN A 10 10.779 -0.727 -8.820 1.00 0.00 H new ATOM 0 HA GLN A 10 13.499 -1.440 -8.610 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.667 -2.986 -9.218 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.395 -2.103 -10.707 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.676 -3.914 -11.418 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.871 -2.641 -11.262 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.437 -5.466 -9.611 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.865 -5.858 -8.648 1.00 0.00 H new ATOM 161 N TYR A 11 12.683 0.424 -11.206 1.00 0.00 N ATOM 162 CA TYR A 11 13.230 1.264 -12.264 1.00 0.00 C ATOM 163 C TYR A 11 13.992 2.449 -11.680 1.00 0.00 C ATOM 164 O TYR A 11 15.120 2.735 -12.082 1.00 0.00 O ATOM 165 CB TYR A 11 12.110 1.763 -13.179 1.00 0.00 C ATOM 166 CG TYR A 11 12.558 2.820 -14.163 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.569 2.560 -15.079 1.00 0.00 C ATOM 168 CD2 TYR A 11 11.971 4.080 -14.175 1.00 0.00 C ATOM 169 CE1 TYR A 11 13.982 3.523 -15.980 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.376 5.048 -15.073 1.00 0.00 C ATOM 171 CZ TYR A 11 13.382 4.765 -15.973 1.00 0.00 C ATOM 172 OH TYR A 11 13.790 5.727 -16.869 1.00 0.00 O ATOM 0 H TYR A 11 11.666 0.453 -11.128 1.00 0.00 H new ATOM 0 HA TYR A 11 13.925 0.661 -12.848 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.698 0.917 -13.730 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.304 2.167 -12.566 1.00 0.00 H new ATOM 0 HD1 TYR A 11 14.041 1.588 -15.087 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.185 4.306 -13.470 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.770 3.304 -16.686 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.908 6.021 -15.070 1.00 0.00 H new ATOM 0 HH TYR A 11 14.111 5.296 -17.688 1.00 0.00 H new ATOM 182 N ILE A 12 13.367 3.135 -10.729 1.00 0.00 N ATOM 183 CA ILE A 12 13.985 4.289 -10.087 1.00 0.00 C ATOM 184 C ILE A 12 15.271 3.894 -9.369 1.00 0.00 C ATOM 185 O ILE A 12 16.274 4.604 -9.435 1.00 0.00 O ATOM 186 CB ILE A 12 13.029 4.951 -9.078 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.740 5.388 -9.775 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.705 6.139 -8.409 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.589 5.627 -8.823 1.00 0.00 C ATOM 0 H ILE A 12 12.433 2.912 -10.386 1.00 0.00 H new ATOM 0 HA ILE A 12 14.217 5.004 -10.877 1.00 0.00 H new ATOM 0 HB ILE A 12 12.774 4.222 -8.309 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.932 6.302 -10.336 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.451 4.625 -10.498 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.017 6.597 -7.698 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.598 5.801 -7.883 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.985 6.872 -9.166 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.708 5.934 -9.387 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.370 4.708 -8.279 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.859 6.411 -8.116 1.00 0.00 H new ATOM 201 N SER A 13 15.235 2.755 -8.685 1.00 0.00 N ATOM 202 CA SER A 13 16.397 2.266 -7.952 1.00 0.00 C ATOM 203 C SER A 13 17.596 2.103 -8.881 1.00 0.00 C ATOM 204 O SER A 13 18.734 2.377 -8.498 1.00 0.00 O ATOM 205 CB SER A 13 16.076 0.932 -7.277 1.00 0.00 C ATOM 206 OG SER A 13 15.889 -0.094 -8.237 1.00 0.00 O ATOM 0 H SER A 13 14.414 2.153 -8.623 1.00 0.00 H new ATOM 0 HA SER A 13 16.649 3.001 -7.187 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.886 0.659 -6.601 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.176 1.035 -6.670 1.00 0.00 H new ATOM 0 HG SER A 13 15.483 0.284 -9.045 1.00 0.00 H new ATOM 212 N ASP A 14 17.332 1.657 -10.104 1.00 0.00 N ATOM 213 CA ASP A 14 18.388 1.458 -11.090 1.00 0.00 C ATOM 214 C ASP A 14 18.998 2.792 -11.509 1.00 0.00 C ATOM 215 O ASP A 14 20.160 2.856 -11.912 1.00 0.00 O ATOM 216 CB ASP A 14 17.840 0.726 -12.316 1.00 0.00 C ATOM 217 CG ASP A 14 18.939 0.240 -13.240 1.00 0.00 C ATOM 218 OD1 ASP A 14 19.467 -0.867 -13.004 1.00 0.00 O ATOM 219 OD2 ASP A 14 19.271 0.967 -14.200 1.00 0.00 O ATOM 0 H ASP A 14 16.396 1.426 -10.437 1.00 0.00 H new ATOM 0 HA ASP A 14 19.168 0.850 -10.633 1.00 0.00 H new ATOM 0 HB2 ASP A 14 17.241 -0.124 -11.990 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.175 1.392 -12.866 1.00 0.00 H new ATOM 224 N HIS A 15 18.207 3.855 -11.412 1.00 0.00 N ATOM 225 CA HIS A 15 18.669 5.188 -11.782 1.00 0.00 C ATOM 226 C HIS A 15 18.978 6.020 -10.541 1.00 0.00 C ATOM 227 O HIS A 15 19.060 7.247 -10.608 1.00 0.00 O ATOM 228 CB HIS A 15 17.617 5.897 -12.636 1.00 0.00 C ATOM 229 CG HIS A 15 17.511 5.355 -14.028 1.00 0.00 C ATOM 230 ND1 HIS A 15 17.696 6.129 -15.154 1.00 0.00 N ATOM 231 CD2 HIS A 15 17.238 4.106 -14.473 1.00 0.00 C ATOM 232 CE1 HIS A 15 17.541 5.380 -16.231 1.00 0.00 C ATOM 233 NE2 HIS A 15 17.263 4.148 -15.846 1.00 0.00 N ATOM 0 H HIS A 15 17.243 3.820 -11.080 1.00 0.00 H new ATOM 0 HA HIS A 15 19.585 5.080 -12.363 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.647 5.812 -12.147 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.857 6.959 -12.686 1.00 0.00 H new ATOM 0 HD2 HIS A 15 17.038 3.238 -13.862 1.00 0.00 H new ATOM 0 HE1 HIS A 15 17.627 5.718 -17.253 1.00 0.00 H new ATOM 0 HE2 HIS A 15 17.094 3.356 -16.467 1.00 0.00 H new ATOM 241 N LEU A 16 19.147 5.345 -9.410 1.00 0.00 N ATOM 242 CA LEU A 16 19.446 6.021 -8.152 1.00 0.00 C ATOM 243 C LEU A 16 20.704 6.875 -8.280 1.00 0.00 C ATOM 244 O LEU A 16 20.858 7.878 -7.583 1.00 0.00 O ATOM 245 CB LEU A 16 19.623 4.998 -7.029 1.00 0.00 C ATOM 246 CG LEU A 16 19.683 5.563 -5.610 1.00 0.00 C ATOM 247 CD1 LEU A 16 19.075 4.583 -4.618 1.00 0.00 C ATOM 248 CD2 LEU A 16 21.120 5.890 -5.227 1.00 0.00 C ATOM 0 H LEU A 16 19.082 4.330 -9.338 1.00 0.00 H new ATOM 0 HA LEU A 16 18.607 6.674 -7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.800 4.286 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.540 4.439 -7.215 1.00 0.00 H new ATOM 0 HG LEU A 16 19.101 6.484 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 16 19.127 5.003 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 16 18.033 4.398 -4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 16 19.629 3.644 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 16 21.144 6.291 -4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 16 21.724 4.984 -5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 16 21.522 6.629 -5.920 1.00 0.00 H new ATOM 260 N ALA A 17 21.599 6.471 -9.175 1.00 0.00 N ATOM 261 CA ALA A 17 22.841 7.202 -9.396 1.00 0.00 C ATOM 262 C ALA A 17 22.695 8.198 -10.541 1.00 0.00 C ATOM 263 O ALA A 17 23.461 9.156 -10.644 1.00 0.00 O ATOM 264 CB ALA A 17 23.980 6.233 -9.679 1.00 0.00 C ATOM 0 H ALA A 17 21.488 5.642 -9.759 1.00 0.00 H new ATOM 0 HA ALA A 17 23.071 7.762 -8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.901 6.792 -9.842 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.108 5.563 -8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.748 5.649 -10.569 1.00 0.00 H new ATOM 270 N ASP A 18 21.708 7.965 -11.400 1.00 0.00 N ATOM 271 CA ASP A 18 21.462 8.843 -12.538 1.00 0.00 C ATOM 272 C ASP A 18 20.946 10.202 -12.075 1.00 0.00 C ATOM 273 O ASP A 18 20.272 10.304 -11.050 1.00 0.00 O ATOM 274 CB ASP A 18 20.457 8.202 -13.496 1.00 0.00 C ATOM 275 CG ASP A 18 21.129 7.370 -14.570 1.00 0.00 C ATOM 276 OD1 ASP A 18 22.322 7.040 -14.404 1.00 0.00 O ATOM 277 OD2 ASP A 18 20.463 7.049 -15.576 1.00 0.00 O ATOM 0 H ASP A 18 21.066 7.176 -11.330 1.00 0.00 H new ATOM 0 HA ASP A 18 22.407 8.992 -13.061 1.00 0.00 H new ATOM 0 HB2 ASP A 18 19.770 7.573 -12.930 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.859 8.983 -13.966 1.00 0.00 H new ATOM 282 N SER A 19 21.270 11.243 -12.835 1.00 0.00 N ATOM 283 CA SER A 19 20.843 12.596 -12.500 1.00 0.00 C ATOM 284 C SER A 19 19.536 12.944 -13.205 1.00 0.00 C ATOM 285 O SER A 19 18.579 13.392 -12.575 1.00 0.00 O ATOM 286 CB SER A 19 21.927 13.605 -12.885 1.00 0.00 C ATOM 287 OG SER A 19 21.771 14.819 -12.171 1.00 0.00 O ATOM 0 H SER A 19 21.827 11.175 -13.687 1.00 0.00 H new ATOM 0 HA SER A 19 20.678 12.642 -11.424 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.911 13.183 -12.680 1.00 0.00 H new ATOM 0 HB3 SER A 19 21.882 13.801 -13.956 1.00 0.00 H new ATOM 0 HG SER A 19 22.477 15.446 -12.434 1.00 0.00 H new ATOM 293 N ASN A 20 19.504 12.735 -14.517 1.00 0.00 N ATOM 294 CA ASN A 20 18.315 13.026 -15.309 1.00 0.00 C ATOM 295 C ASN A 20 17.214 12.006 -15.034 1.00 0.00 C ATOM 296 O ASN A 20 17.285 10.863 -15.485 1.00 0.00 O ATOM 297 CB ASN A 20 18.659 13.032 -16.800 1.00 0.00 C ATOM 298 CG ASN A 20 19.675 14.101 -17.155 1.00 0.00 C ATOM 299 OD1 ASN A 20 19.775 15.126 -16.481 1.00 0.00 O ATOM 300 ND2 ASN A 20 20.435 13.864 -18.218 1.00 0.00 N ATOM 0 H ASN A 20 20.288 12.365 -15.054 1.00 0.00 H new ATOM 0 HA ASN A 20 17.951 14.013 -15.022 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.050 12.055 -17.084 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.750 13.192 -17.379 1.00 0.00 H new ATOM 0 HD21 ASN A 20 21.137 14.546 -18.505 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.317 13.000 -18.747 1.00 0.00 H new ATOM 307 N PHE A 21 16.197 12.428 -14.290 1.00 0.00 N ATOM 308 CA PHE A 21 15.081 11.552 -13.954 1.00 0.00 C ATOM 309 C PHE A 21 13.811 11.986 -14.680 1.00 0.00 C ATOM 310 O PHE A 21 13.408 13.147 -14.608 1.00 0.00 O ATOM 311 CB PHE A 21 14.843 11.552 -12.442 1.00 0.00 C ATOM 312 CG PHE A 21 13.796 10.569 -12.000 1.00 0.00 C ATOM 313 CD1 PHE A 21 13.791 9.274 -12.493 1.00 0.00 C ATOM 314 CD2 PHE A 21 12.818 10.941 -11.092 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.829 8.367 -12.089 1.00 0.00 C ATOM 316 CE2 PHE A 21 11.854 10.038 -10.683 1.00 0.00 C ATOM 317 CZ PHE A 21 11.859 8.750 -11.183 1.00 0.00 C ATOM 0 H PHE A 21 16.123 13.371 -13.908 1.00 0.00 H new ATOM 0 HA PHE A 21 15.335 10.542 -14.275 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.781 11.325 -11.935 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.546 12.553 -12.129 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.547 8.970 -13.201 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.808 11.947 -10.699 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.836 7.361 -12.481 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.098 10.339 -9.973 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.106 8.044 -10.866 1.00 0.00 H new ATOM 327 N ASP A 22 13.186 11.045 -15.379 1.00 0.00 N ATOM 328 CA ASP A 22 11.961 11.328 -16.118 1.00 0.00 C ATOM 329 C ASP A 22 10.788 10.534 -15.552 1.00 0.00 C ATOM 330 O ASP A 22 10.713 9.316 -15.719 1.00 0.00 O ATOM 331 CB ASP A 22 12.148 11.000 -17.600 1.00 0.00 C ATOM 332 CG ASP A 22 10.939 11.378 -18.434 1.00 0.00 C ATOM 333 OD1 ASP A 22 10.040 12.061 -17.899 1.00 0.00 O ATOM 334 OD2 ASP A 22 10.892 10.992 -19.620 1.00 0.00 O ATOM 0 H ASP A 22 13.507 10.080 -15.449 1.00 0.00 H new ATOM 0 HA ASP A 22 11.740 12.390 -16.014 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.025 11.526 -17.978 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.343 9.933 -17.711 1.00 0.00 H new ATOM 339 N ILE A 23 9.877 11.230 -14.882 1.00 0.00 N ATOM 340 CA ILE A 23 8.708 10.589 -14.292 1.00 0.00 C ATOM 341 C ILE A 23 7.929 9.797 -15.336 1.00 0.00 C ATOM 342 O ILE A 23 7.234 8.836 -15.010 1.00 0.00 O ATOM 343 CB ILE A 23 7.769 11.622 -13.641 1.00 0.00 C ATOM 344 CG1 ILE A 23 6.695 10.915 -12.811 1.00 0.00 C ATOM 345 CG2 ILE A 23 7.130 12.502 -14.705 1.00 0.00 C ATOM 346 CD1 ILE A 23 7.254 10.109 -11.660 1.00 0.00 C ATOM 0 H ILE A 23 9.925 12.238 -14.734 1.00 0.00 H new ATOM 0 HA ILE A 23 9.075 9.908 -13.524 1.00 0.00 H new ATOM 0 HB ILE A 23 8.356 12.257 -12.977 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.001 11.659 -12.420 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.121 10.255 -13.461 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.469 13.227 -14.229 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.908 13.028 -15.257 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.554 11.882 -15.392 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.436 9.636 -11.116 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.925 9.342 -12.045 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.804 10.768 -10.988 1.00 0.00 H new ATOM 358 N ALA A 24 8.051 10.208 -16.594 1.00 0.00 N ATOM 359 CA ALA A 24 7.362 9.534 -17.688 1.00 0.00 C ATOM 360 C ALA A 24 7.768 8.067 -17.773 1.00 0.00 C ATOM 361 O ALA A 24 6.923 7.187 -17.933 1.00 0.00 O ATOM 362 CB ALA A 24 7.647 10.240 -19.006 1.00 0.00 C ATOM 0 H ALA A 24 8.620 11.004 -16.881 1.00 0.00 H new ATOM 0 HA ALA A 24 6.291 9.576 -17.490 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.126 9.726 -19.814 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.300 11.272 -18.949 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.719 10.229 -19.200 1.00 0.00 H new ATOM 368 N SER A 25 9.068 7.811 -17.665 1.00 0.00 N ATOM 369 CA SER A 25 9.587 6.450 -17.734 1.00 0.00 C ATOM 370 C SER A 25 9.060 5.608 -16.575 1.00 0.00 C ATOM 371 O SER A 25 8.906 4.393 -16.696 1.00 0.00 O ATOM 372 CB SER A 25 11.117 6.463 -17.714 1.00 0.00 C ATOM 373 OG SER A 25 11.636 7.105 -18.866 1.00 0.00 O ATOM 0 H SER A 25 9.781 8.528 -17.529 1.00 0.00 H new ATOM 0 HA SER A 25 9.246 6.005 -18.669 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.468 6.976 -16.819 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.492 5.441 -17.663 1.00 0.00 H new ATOM 0 HG SER A 25 12.600 7.245 -18.756 1.00 0.00 H new ATOM 379 N VAL A 26 8.785 6.264 -15.453 1.00 0.00 N ATOM 380 CA VAL A 26 8.274 5.578 -14.272 1.00 0.00 C ATOM 381 C VAL A 26 6.877 5.020 -14.522 1.00 0.00 C ATOM 382 O VAL A 26 6.610 3.848 -14.260 1.00 0.00 O ATOM 383 CB VAL A 26 8.228 6.518 -13.052 1.00 0.00 C ATOM 384 CG1 VAL A 26 7.680 5.788 -11.836 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.610 7.085 -12.766 1.00 0.00 C ATOM 0 H VAL A 26 8.907 7.270 -15.336 1.00 0.00 H new ATOM 0 HA VAL A 26 8.959 4.756 -14.063 1.00 0.00 H new ATOM 0 HB VAL A 26 7.559 7.348 -13.279 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.655 6.468 -10.984 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.671 5.435 -12.048 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.321 4.938 -11.603 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.560 7.747 -11.901 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.302 6.269 -12.559 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.960 7.646 -13.633 1.00 0.00 H new ATOM 395 N ALA A 27 5.990 5.868 -15.031 1.00 0.00 N ATOM 396 CA ALA A 27 4.621 5.459 -15.320 1.00 0.00 C ATOM 397 C ALA A 27 4.578 4.456 -16.467 1.00 0.00 C ATOM 398 O ALA A 27 3.752 3.543 -16.473 1.00 0.00 O ATOM 399 CB ALA A 27 3.765 6.674 -15.646 1.00 0.00 C ATOM 0 H ALA A 27 6.195 6.843 -15.252 1.00 0.00 H new ATOM 0 HA ALA A 27 4.218 4.972 -14.432 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.745 6.354 -15.860 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.761 7.355 -14.795 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.175 7.185 -16.517 1.00 0.00 H new ATOM 405 N GLN A 28 5.471 4.632 -17.435 1.00 0.00 N ATOM 406 CA GLN A 28 5.533 3.742 -18.588 1.00 0.00 C ATOM 407 C GLN A 28 5.896 2.323 -18.162 1.00 0.00 C ATOM 408 O GLN A 28 5.389 1.348 -18.717 1.00 0.00 O ATOM 409 CB GLN A 28 6.553 4.259 -19.604 1.00 0.00 C ATOM 410 CG GLN A 28 6.790 3.307 -20.766 1.00 0.00 C ATOM 411 CD GLN A 28 7.777 3.856 -21.777 1.00 0.00 C ATOM 412 OE1 GLN A 28 7.873 5.068 -21.973 1.00 0.00 O ATOM 413 NE2 GLN A 28 8.516 2.965 -22.427 1.00 0.00 N ATOM 0 H GLN A 28 6.162 5.383 -17.444 1.00 0.00 H new ATOM 0 HA GLN A 28 4.547 3.721 -19.052 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.211 5.218 -19.994 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.500 4.441 -19.095 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.160 2.356 -20.382 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.842 3.103 -21.263 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.403 1.970 -22.233 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.196 3.275 -23.121 1.00 0.00 H new ATOM 422 N HIS A 29 6.778 2.215 -17.173 1.00 0.00 N ATOM 423 CA HIS A 29 7.209 0.915 -16.671 1.00 0.00 C ATOM 424 C HIS A 29 6.017 0.100 -16.179 1.00 0.00 C ATOM 425 O HIS A 29 5.990 -1.123 -16.315 1.00 0.00 O ATOM 426 CB HIS A 29 8.223 1.092 -15.540 1.00 0.00 C ATOM 427 CG HIS A 29 8.519 -0.174 -14.798 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.620 -1.403 -15.416 1.00 0.00 N ATOM 429 CD2 HIS A 29 8.738 -0.398 -13.481 1.00 0.00 C ATOM 430 CE1 HIS A 29 8.887 -2.328 -14.511 1.00 0.00 C ATOM 431 NE2 HIS A 29 8.964 -1.744 -13.329 1.00 0.00 N ATOM 0 H HIS A 29 7.208 3.012 -16.704 1.00 0.00 H new ATOM 0 HA HIS A 29 7.682 0.375 -17.491 1.00 0.00 H new ATOM 0 HB2 HIS A 29 9.151 1.487 -15.954 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.846 1.835 -14.838 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.735 0.344 -12.696 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.020 -3.382 -14.705 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.160 -2.216 -12.446 1.00 0.00 H new ATOM 439 N VAL A 30 5.034 0.786 -15.606 1.00 0.00 N ATOM 440 CA VAL A 30 3.839 0.126 -15.094 1.00 0.00 C ATOM 441 C VAL A 30 2.710 0.160 -16.118 1.00 0.00 C ATOM 442 O VAL A 30 1.551 -0.094 -15.788 1.00 0.00 O ATOM 443 CB VAL A 30 3.352 0.781 -13.788 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.431 0.708 -12.718 1.00 0.00 C ATOM 445 CG2 VAL A 30 2.935 2.222 -14.039 1.00 0.00 C ATOM 0 H VAL A 30 5.041 1.799 -15.485 1.00 0.00 H new ATOM 0 HA VAL A 30 4.112 -0.910 -14.893 1.00 0.00 H new ATOM 0 HB VAL A 30 2.482 0.232 -13.429 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.068 1.176 -11.803 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.677 -0.335 -12.519 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.323 1.231 -13.064 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.594 2.670 -13.106 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.786 2.786 -14.422 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.126 2.245 -14.769 1.00 0.00 H new ATOM 455 N CYS A 31 3.057 0.473 -17.361 1.00 0.00 N ATOM 456 CA CYS A 31 2.073 0.541 -18.436 1.00 0.00 C ATOM 457 C CYS A 31 0.893 1.422 -18.038 1.00 0.00 C ATOM 458 O CYS A 31 -0.254 1.136 -18.384 1.00 0.00 O ATOM 459 CB CYS A 31 1.579 -0.862 -18.792 1.00 0.00 C ATOM 460 SG CYS A 31 2.785 -1.861 -19.696 1.00 0.00 S ATOM 0 H CYS A 31 4.012 0.684 -17.650 1.00 0.00 H new ATOM 0 HA CYS A 31 2.555 0.982 -19.309 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.306 -1.383 -17.874 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.673 -0.775 -19.391 1.00 0.00 H new ATOM 0 HG CYS A 31 2.277 -3.030 -19.950 1.00 0.00 H new ATOM 466 N LEU A 32 1.182 2.493 -17.308 1.00 0.00 N ATOM 467 CA LEU A 32 0.144 3.416 -16.860 1.00 0.00 C ATOM 468 C LEU A 32 0.613 4.863 -16.984 1.00 0.00 C ATOM 469 O LEU A 32 1.806 5.129 -17.128 1.00 0.00 O ATOM 470 CB LEU A 32 -0.243 3.116 -15.412 1.00 0.00 C ATOM 471 CG LEU A 32 -1.721 3.295 -15.061 1.00 0.00 C ATOM 472 CD1 LEU A 32 -2.509 2.043 -15.414 1.00 0.00 C ATOM 473 CD2 LEU A 32 -1.882 3.631 -13.586 1.00 0.00 C ATOM 0 H LEU A 32 2.126 2.744 -17.013 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.729 3.280 -17.498 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.041 2.088 -15.186 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.346 3.760 -14.759 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.116 4.125 -15.647 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.558 2.189 -15.157 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.421 1.847 -16.483 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.113 1.195 -14.856 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.940 3.755 -13.354 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.470 2.823 -12.982 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.351 4.557 -13.364 1.00 0.00 H new ATOM 485 N SER A 33 -0.335 5.793 -16.925 1.00 0.00 N ATOM 486 CA SER A 33 -0.020 7.213 -17.031 1.00 0.00 C ATOM 487 C SER A 33 0.663 7.715 -15.762 1.00 0.00 C ATOM 488 O SER A 33 0.531 7.134 -14.685 1.00 0.00 O ATOM 489 CB SER A 33 -1.292 8.021 -17.294 1.00 0.00 C ATOM 490 OG SER A 33 -2.361 7.567 -16.482 1.00 0.00 O ATOM 0 H SER A 33 -1.327 5.589 -16.804 1.00 0.00 H new ATOM 0 HA SER A 33 0.666 7.346 -17.868 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.104 9.076 -17.096 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.569 7.938 -18.345 1.00 0.00 H new ATOM 0 HG SER A 33 -3.162 8.100 -16.667 1.00 0.00 H new ATOM 496 N PRO A 34 1.410 8.821 -15.891 1.00 0.00 N ATOM 497 CA PRO A 34 2.128 9.427 -14.766 1.00 0.00 C ATOM 498 C PRO A 34 1.185 10.064 -13.752 1.00 0.00 C ATOM 499 O PRO A 34 1.429 10.016 -12.547 1.00 0.00 O ATOM 500 CB PRO A 34 2.997 10.496 -15.434 1.00 0.00 C ATOM 501 CG PRO A 34 2.278 10.836 -16.693 1.00 0.00 C ATOM 502 CD PRO A 34 1.612 9.566 -17.146 1.00 0.00 C ATOM 0 HA PRO A 34 2.696 8.689 -14.200 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.110 11.371 -14.794 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.999 10.120 -15.640 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.543 11.623 -16.522 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.970 11.205 -17.450 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.667 9.766 -17.651 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.237 9.012 -17.846 1.00 0.00 H new ATOM 510 N SER A 35 0.106 10.661 -14.248 1.00 0.00 N ATOM 511 CA SER A 35 -0.873 11.312 -13.385 1.00 0.00 C ATOM 512 C SER A 35 -1.581 10.290 -12.501 1.00 0.00 C ATOM 513 O SER A 35 -1.724 10.490 -11.294 1.00 0.00 O ATOM 514 CB SER A 35 -1.900 12.074 -14.226 1.00 0.00 C ATOM 515 OG SER A 35 -2.405 11.262 -15.272 1.00 0.00 O ATOM 0 H SER A 35 -0.113 10.707 -15.243 1.00 0.00 H new ATOM 0 HA SER A 35 -0.344 12.017 -12.744 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.721 12.406 -13.590 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.440 12.969 -14.646 1.00 0.00 H new ATOM 0 HG SER A 35 -3.060 11.771 -15.794 1.00 0.00 H new ATOM 521 N ARG A 36 -2.022 9.194 -13.110 1.00 0.00 N ATOM 522 CA ARG A 36 -2.716 8.141 -12.379 1.00 0.00 C ATOM 523 C ARG A 36 -1.771 7.436 -11.411 1.00 0.00 C ATOM 524 O ARG A 36 -2.119 7.187 -10.256 1.00 0.00 O ATOM 525 CB ARG A 36 -3.316 7.125 -13.353 1.00 0.00 C ATOM 526 CG ARG A 36 -4.449 7.686 -14.197 1.00 0.00 C ATOM 527 CD ARG A 36 -5.698 7.926 -13.363 1.00 0.00 C ATOM 528 NE ARG A 36 -6.557 8.953 -13.947 1.00 0.00 N ATOM 529 CZ ARG A 36 -7.282 8.767 -15.044 1.00 0.00 C ATOM 530 NH1 ARG A 36 -7.253 7.600 -15.673 1.00 0.00 N ATOM 531 NH2 ARG A 36 -8.039 9.750 -15.514 1.00 0.00 N ATOM 0 H ARG A 36 -1.911 9.012 -14.108 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.519 8.602 -11.804 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.530 6.759 -14.013 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.684 6.268 -12.789 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.132 8.622 -14.658 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.678 6.994 -15.007 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.257 6.995 -13.271 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.409 8.225 -12.355 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.602 9.862 -13.487 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.673 6.842 -15.315 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.811 7.461 -16.515 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.064 10.649 -15.033 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.596 9.607 -16.357 1.00 0.00 H new ATOM 545 N LEU A 37 -0.573 7.117 -11.889 1.00 0.00 N ATOM 546 CA LEU A 37 0.424 6.441 -11.066 1.00 0.00 C ATOM 547 C LEU A 37 0.871 7.330 -9.911 1.00 0.00 C ATOM 548 O LEU A 37 0.970 6.880 -8.770 1.00 0.00 O ATOM 549 CB LEU A 37 1.632 6.044 -11.917 1.00 0.00 C ATOM 550 CG LEU A 37 2.815 5.438 -11.161 1.00 0.00 C ATOM 551 CD1 LEU A 37 2.589 3.954 -10.917 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.110 5.663 -11.929 1.00 0.00 C ATOM 0 H LEU A 37 -0.269 7.316 -12.842 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.032 5.542 -10.652 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.302 5.328 -12.669 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.982 6.928 -12.450 1.00 0.00 H new ATOM 0 HG LEU A 37 2.897 5.936 -10.195 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.441 3.540 -10.378 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.684 3.816 -10.326 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.480 3.441 -11.872 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.941 5.225 -11.376 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.038 5.192 -12.909 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.279 6.733 -12.052 1.00 0.00 H new ATOM 564 N SER A 38 1.138 8.597 -10.215 1.00 0.00 N ATOM 565 CA SER A 38 1.576 9.550 -9.202 1.00 0.00 C ATOM 566 C SER A 38 0.525 9.699 -8.106 1.00 0.00 C ATOM 567 O SER A 38 0.855 9.814 -6.925 1.00 0.00 O ATOM 568 CB SER A 38 1.859 10.911 -9.841 1.00 0.00 C ATOM 569 OG SER A 38 3.041 10.872 -10.621 1.00 0.00 O ATOM 0 H SER A 38 1.059 8.987 -11.154 1.00 0.00 H new ATOM 0 HA SER A 38 2.493 9.169 -8.753 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.016 11.205 -10.467 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.958 11.668 -9.063 1.00 0.00 H new ATOM 0 HG SER A 38 2.819 10.605 -11.538 1.00 0.00 H new ATOM 575 N HIS A 39 -0.743 9.696 -8.506 1.00 0.00 N ATOM 576 CA HIS A 39 -1.844 9.830 -7.558 1.00 0.00 C ATOM 577 C HIS A 39 -1.816 8.703 -6.529 1.00 0.00 C ATOM 578 O HIS A 39 -1.899 8.946 -5.325 1.00 0.00 O ATOM 579 CB HIS A 39 -3.183 9.829 -8.296 1.00 0.00 C ATOM 580 CG HIS A 39 -4.363 10.024 -7.395 1.00 0.00 C ATOM 581 ND1 HIS A 39 -5.071 11.205 -7.327 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.960 9.178 -6.523 1.00 0.00 C ATOM 583 CE1 HIS A 39 -6.052 11.078 -6.451 1.00 0.00 C ATOM 584 NE2 HIS A 39 -6.007 9.857 -5.949 1.00 0.00 N ATOM 0 H HIS A 39 -1.033 9.602 -9.479 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.727 10.779 -7.035 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -3.175 10.619 -9.047 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.295 8.884 -8.828 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.668 8.159 -6.317 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.769 11.842 -6.190 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.646 9.480 -5.249 1.00 0.00 H new ATOM 592 N LEU A 40 -1.699 7.471 -7.012 1.00 0.00 N ATOM 593 CA LEU A 40 -1.660 6.306 -6.135 1.00 0.00 C ATOM 594 C LEU A 40 -0.327 6.223 -5.398 1.00 0.00 C ATOM 595 O LEU A 40 -0.260 5.739 -4.268 1.00 0.00 O ATOM 596 CB LEU A 40 -1.891 5.028 -6.942 1.00 0.00 C ATOM 597 CG LEU A 40 -3.078 5.047 -7.906 1.00 0.00 C ATOM 598 CD1 LEU A 40 -3.083 3.797 -8.772 1.00 0.00 C ATOM 599 CD2 LEU A 40 -4.386 5.173 -7.139 1.00 0.00 C ATOM 0 H LEU A 40 -1.629 7.253 -8.006 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.455 6.411 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.988 4.815 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.029 4.202 -6.244 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.978 5.915 -8.558 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.935 3.828 -9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.160 3.751 -9.349 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.158 2.915 -8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.220 5.185 -7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.494 4.326 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.383 6.099 -6.564 1.00 0.00 H new ATOM 611 N PHE A 41 0.731 6.699 -6.045 1.00 0.00 N ATOM 612 CA PHE A 41 2.063 6.680 -5.451 1.00 0.00 C ATOM 613 C PHE A 41 2.089 7.475 -4.149 1.00 0.00 C ATOM 614 O PHE A 41 2.556 6.986 -3.120 1.00 0.00 O ATOM 615 CB PHE A 41 3.090 7.250 -6.432 1.00 0.00 C ATOM 616 CG PHE A 41 4.386 6.492 -6.451 1.00 0.00 C ATOM 617 CD1 PHE A 41 5.408 6.818 -5.575 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.582 5.452 -7.346 1.00 0.00 C ATOM 619 CE1 PHE A 41 6.602 6.122 -5.589 1.00 0.00 C ATOM 620 CE2 PHE A 41 5.774 4.752 -7.365 1.00 0.00 C ATOM 621 CZ PHE A 41 6.785 5.088 -6.487 1.00 0.00 C ATOM 0 H PHE A 41 0.692 7.103 -6.981 1.00 0.00 H new ATOM 0 HA PHE A 41 2.320 5.644 -5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.663 7.248 -7.435 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.290 8.290 -6.173 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.270 7.626 -4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.795 5.186 -8.036 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.390 6.386 -4.899 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.914 3.943 -8.066 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.718 4.543 -6.502 1.00 0.00 H new ATOM 631 N ARG A 42 1.586 8.704 -4.203 1.00 0.00 N ATOM 632 CA ARG A 42 1.553 9.568 -3.030 1.00 0.00 C ATOM 633 C ARG A 42 0.592 9.021 -1.978 1.00 0.00 C ATOM 634 O ARG A 42 0.749 9.280 -0.786 1.00 0.00 O ATOM 635 CB ARG A 42 1.139 10.987 -3.426 1.00 0.00 C ATOM 636 CG ARG A 42 1.103 11.959 -2.258 1.00 0.00 C ATOM 637 CD ARG A 42 1.175 13.402 -2.733 1.00 0.00 C ATOM 638 NE ARG A 42 0.989 14.349 -1.636 1.00 0.00 N ATOM 639 CZ ARG A 42 -0.190 14.615 -1.087 1.00 0.00 C ATOM 640 NH1 ARG A 42 -1.283 14.008 -1.529 1.00 0.00 N ATOM 641 NH2 ARG A 42 -0.279 15.489 -0.092 1.00 0.00 N ATOM 0 H ARG A 42 1.196 9.123 -5.047 1.00 0.00 H new ATOM 0 HA ARG A 42 2.555 9.595 -2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.833 11.362 -4.179 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.153 10.953 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.188 11.808 -1.686 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.936 11.754 -1.586 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.141 13.580 -3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.412 13.572 -3.492 1.00 0.00 H new ATOM 0 HE ARG A 42 1.810 14.832 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.219 13.335 -2.293 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.188 14.214 -1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.559 15.957 0.252 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.186 15.692 0.329 1.00 0.00 H new ATOM 655 N GLN A 43 -0.403 8.264 -2.430 1.00 0.00 N ATOM 656 CA GLN A 43 -1.390 7.682 -1.528 1.00 0.00 C ATOM 657 C GLN A 43 -0.829 6.447 -0.832 1.00 0.00 C ATOM 658 O GLN A 43 -1.095 6.214 0.347 1.00 0.00 O ATOM 659 CB GLN A 43 -2.661 7.316 -2.297 1.00 0.00 C ATOM 660 CG GLN A 43 -3.795 6.839 -1.405 1.00 0.00 C ATOM 661 CD GLN A 43 -4.085 7.799 -0.267 1.00 0.00 C ATOM 662 OE1 GLN A 43 -3.742 7.535 0.886 1.00 0.00 O ATOM 663 NE2 GLN A 43 -4.721 8.920 -0.585 1.00 0.00 N ATOM 0 H GLN A 43 -0.547 8.040 -3.415 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.635 8.425 -0.769 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.996 8.185 -2.863 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.426 6.535 -3.021 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.695 6.711 -2.006 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.543 5.861 -0.995 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.987 9.098 -1.553 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.944 9.603 0.139 1.00 0.00 H new ATOM 672 N GLN A 44 -0.053 5.659 -1.569 1.00 0.00 N ATOM 673 CA GLN A 44 0.544 4.446 -1.021 1.00 0.00 C ATOM 674 C GLN A 44 1.810 4.770 -0.235 1.00 0.00 C ATOM 675 O GLN A 44 2.056 4.198 0.828 1.00 0.00 O ATOM 676 CB GLN A 44 0.865 3.459 -2.144 1.00 0.00 C ATOM 677 CG GLN A 44 -0.369 2.873 -2.812 1.00 0.00 C ATOM 678 CD GLN A 44 -1.303 2.201 -1.824 1.00 0.00 C ATOM 679 OE1 GLN A 44 -0.897 1.831 -0.722 1.00 0.00 O ATOM 680 NE2 GLN A 44 -2.561 2.040 -2.215 1.00 0.00 N ATOM 0 H GLN A 44 0.177 5.838 -2.546 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.177 3.991 -0.342 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.470 3.963 -2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.470 2.647 -1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.906 3.665 -3.333 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.060 2.148 -3.565 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.854 2.362 -3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.235 1.594 -1.593 1.00 0.00 H new ATOM 689 N LEU A 45 2.609 5.690 -0.763 1.00 0.00 N ATOM 690 CA LEU A 45 3.851 6.090 -0.111 1.00 0.00 C ATOM 691 C LEU A 45 3.610 7.244 0.857 1.00 0.00 C ATOM 692 O LEU A 45 4.453 7.545 1.702 1.00 0.00 O ATOM 693 CB LEU A 45 4.892 6.495 -1.156 1.00 0.00 C ATOM 694 CG LEU A 45 6.104 5.573 -1.289 1.00 0.00 C ATOM 695 CD1 LEU A 45 5.910 4.597 -2.438 1.00 0.00 C ATOM 696 CD2 LEU A 45 7.375 6.387 -1.488 1.00 0.00 C ATOM 0 H LEU A 45 2.419 6.173 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 45 4.226 5.237 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.399 6.556 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.248 7.497 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 45 6.203 5.001 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.783 3.949 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.023 3.990 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.784 5.151 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.227 5.714 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.285 6.986 -2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.524 7.045 -0.632 1.00 0.00 H new ATOM 708 N GLY A 46 2.453 7.885 0.730 1.00 0.00 N ATOM 709 CA GLY A 46 2.121 8.997 1.601 1.00 0.00 C ATOM 710 C GLY A 46 3.027 10.193 1.386 1.00 0.00 C ATOM 711 O GLY A 46 3.003 11.146 2.166 1.00 0.00 O ATOM 0 H GLY A 46 1.739 7.654 0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.086 9.293 1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.191 8.674 2.640 1.00 0.00 H new ATOM 715 N ILE A 47 3.828 10.143 0.327 1.00 0.00 N ATOM 716 CA ILE A 47 4.746 11.231 0.013 1.00 0.00 C ATOM 717 C ILE A 47 4.949 11.361 -1.493 1.00 0.00 C ATOM 718 O ILE A 47 4.521 10.502 -2.264 1.00 0.00 O ATOM 719 CB ILE A 47 6.115 11.025 0.688 1.00 0.00 C ATOM 720 CG1 ILE A 47 6.841 9.830 0.065 1.00 0.00 C ATOM 721 CG2 ILE A 47 5.942 10.824 2.186 1.00 0.00 C ATOM 722 CD1 ILE A 47 8.196 9.560 0.679 1.00 0.00 C ATOM 0 H ILE A 47 3.860 9.361 -0.328 1.00 0.00 H new ATOM 0 HA ILE A 47 4.295 12.146 0.397 1.00 0.00 H new ATOM 0 HB ILE A 47 6.720 11.917 0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.219 8.941 0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.964 10.007 -1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.918 10.680 2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.462 11.702 2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.322 9.946 2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.653 8.700 0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.835 10.433 0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.079 9.352 1.742 1.00 0.00 H new ATOM 734 N SER A 48 5.606 12.440 -1.905 1.00 0.00 N ATOM 735 CA SER A 48 5.865 12.685 -3.319 1.00 0.00 C ATOM 736 C SER A 48 7.016 11.817 -3.819 1.00 0.00 C ATOM 737 O SER A 48 7.929 11.482 -3.064 1.00 0.00 O ATOM 738 CB SER A 48 6.186 14.162 -3.553 1.00 0.00 C ATOM 739 OG SER A 48 5.924 14.535 -4.895 1.00 0.00 O ATOM 0 H SER A 48 5.969 13.159 -1.279 1.00 0.00 H new ATOM 0 HA SER A 48 4.966 12.424 -3.878 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.591 14.778 -2.878 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.233 14.351 -3.318 1.00 0.00 H new ATOM 0 HG SER A 48 6.136 15.484 -5.018 1.00 0.00 H new ATOM 745 N VAL A 49 6.966 11.457 -5.097 1.00 0.00 N ATOM 746 CA VAL A 49 8.004 10.629 -5.700 1.00 0.00 C ATOM 747 C VAL A 49 9.384 11.246 -5.498 1.00 0.00 C ATOM 748 O VAL A 49 10.337 10.556 -5.133 1.00 0.00 O ATOM 749 CB VAL A 49 7.758 10.430 -7.207 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.758 9.439 -7.785 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.331 9.966 -7.457 1.00 0.00 C ATOM 0 H VAL A 49 6.217 11.726 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 49 7.966 9.660 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 49 7.898 11.387 -7.710 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.569 9.311 -8.851 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.770 9.816 -7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.652 8.479 -7.280 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.175 9.830 -8.527 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.161 9.020 -6.943 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.634 10.714 -7.080 1.00 0.00 H new ATOM 761 N LEU A 50 9.484 12.548 -5.738 1.00 0.00 N ATOM 762 CA LEU A 50 10.749 13.260 -5.583 1.00 0.00 C ATOM 763 C LEU A 50 11.230 13.205 -4.136 1.00 0.00 C ATOM 764 O LEU A 50 12.431 13.223 -3.870 1.00 0.00 O ATOM 765 CB LEU A 50 10.595 14.715 -6.027 1.00 0.00 C ATOM 766 CG LEU A 50 10.874 15.000 -7.503 1.00 0.00 C ATOM 767 CD1 LEU A 50 9.993 14.134 -8.390 1.00 0.00 C ATOM 768 CD2 LEU A 50 10.660 16.474 -7.812 1.00 0.00 C ATOM 0 H LEU A 50 8.705 13.133 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 50 11.493 12.772 -6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.578 15.037 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.265 15.330 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 50 11.916 14.754 -7.710 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.206 14.351 -9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.196 13.082 -8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.945 14.347 -8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.863 16.658 -8.867 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.629 16.747 -7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.335 17.075 -7.202 1.00 0.00 H new ATOM 780 N SER A 51 10.283 13.137 -3.206 1.00 0.00 N ATOM 781 CA SER A 51 10.610 13.082 -1.786 1.00 0.00 C ATOM 782 C SER A 51 11.179 11.716 -1.412 1.00 0.00 C ATOM 783 O SER A 51 12.196 11.623 -0.725 1.00 0.00 O ATOM 784 CB SER A 51 9.368 13.377 -0.943 1.00 0.00 C ATOM 785 OG SER A 51 9.409 14.692 -0.418 1.00 0.00 O ATOM 0 H SER A 51 9.284 13.119 -3.410 1.00 0.00 H new ATOM 0 HA SER A 51 11.367 13.840 -1.583 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.473 13.253 -1.553 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.300 12.658 -0.127 1.00 0.00 H new ATOM 0 HG SER A 51 8.604 14.857 0.115 1.00 0.00 H new ATOM 791 N TRP A 52 10.516 10.661 -1.870 1.00 0.00 N ATOM 792 CA TRP A 52 10.955 9.300 -1.585 1.00 0.00 C ATOM 793 C TRP A 52 12.368 9.062 -2.108 1.00 0.00 C ATOM 794 O TRP A 52 13.183 8.418 -1.448 1.00 0.00 O ATOM 795 CB TRP A 52 9.991 8.289 -2.209 1.00 0.00 C ATOM 796 CG TRP A 52 10.488 6.877 -2.146 1.00 0.00 C ATOM 797 CD1 TRP A 52 10.516 6.067 -1.047 1.00 0.00 C ATOM 798 CD2 TRP A 52 11.028 6.109 -3.227 1.00 0.00 C ATOM 799 NE1 TRP A 52 11.043 4.842 -1.379 1.00 0.00 N ATOM 800 CE2 TRP A 52 11.364 4.842 -2.711 1.00 0.00 C ATOM 801 CE3 TRP A 52 11.260 6.368 -4.580 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.919 3.840 -3.502 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.811 5.373 -5.364 1.00 0.00 C ATOM 804 CH2 TRP A 52 12.135 4.121 -4.824 1.00 0.00 C ATOM 0 H TRP A 52 9.672 10.721 -2.440 1.00 0.00 H new ATOM 0 HA TRP A 52 10.960 9.167 -0.503 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.030 8.351 -1.698 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.817 8.559 -3.251 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.174 6.348 -0.062 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.174 4.060 -0.738 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.013 7.329 -5.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.170 2.875 -3.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.995 5.563 -6.411 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.563 3.363 -5.463 1.00 0.00 H new ATOM 815 N ARG A 53 12.651 9.587 -3.295 1.00 0.00 N ATOM 816 CA ARG A 53 13.965 9.431 -3.906 1.00 0.00 C ATOM 817 C ARG A 53 15.056 9.994 -3.000 1.00 0.00 C ATOM 818 O ARG A 53 16.079 9.351 -2.771 1.00 0.00 O ATOM 819 CB ARG A 53 14.005 10.129 -5.266 1.00 0.00 C ATOM 820 CG ARG A 53 14.910 9.443 -6.277 1.00 0.00 C ATOM 821 CD ARG A 53 16.298 10.064 -6.293 1.00 0.00 C ATOM 822 NE ARG A 53 16.405 11.141 -7.274 1.00 0.00 N ATOM 823 CZ ARG A 53 16.597 10.936 -8.572 1.00 0.00 C ATOM 824 NH1 ARG A 53 16.702 9.701 -9.043 1.00 0.00 N ATOM 825 NH2 ARG A 53 16.684 11.968 -9.402 1.00 0.00 N ATOM 0 H ARG A 53 11.988 10.124 -3.853 1.00 0.00 H new ATOM 0 HA ARG A 53 14.148 8.366 -4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.994 10.177 -5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.342 11.156 -5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.987 8.383 -6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.467 9.514 -7.270 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.533 10.452 -5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.037 9.295 -6.517 1.00 0.00 H new ATOM 0 HE ARG A 53 16.328 12.103 -6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.635 8.906 -8.408 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.849 9.546 -10.040 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.603 12.919 -9.043 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.831 11.810 -10.399 1.00 0.00 H new ATOM 839 N GLU A 54 14.829 11.201 -2.489 1.00 0.00 N ATOM 840 CA GLU A 54 15.793 11.851 -1.610 1.00 0.00 C ATOM 841 C GLU A 54 15.928 11.091 -0.293 1.00 0.00 C ATOM 842 O GLU A 54 17.034 10.876 0.201 1.00 0.00 O ATOM 843 CB GLU A 54 15.374 13.297 -1.337 1.00 0.00 C ATOM 844 CG GLU A 54 16.389 14.081 -0.522 1.00 0.00 C ATOM 845 CD GLU A 54 15.904 15.475 -0.173 1.00 0.00 C ATOM 846 OE1 GLU A 54 14.895 15.588 0.554 1.00 0.00 O ATOM 847 OE2 GLU A 54 16.535 16.453 -0.626 1.00 0.00 O ATOM 0 H GLU A 54 13.987 11.747 -2.669 1.00 0.00 H new ATOM 0 HA GLU A 54 16.761 11.850 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.213 13.805 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.420 13.297 -0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.611 13.537 0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.321 14.154 -1.082 1.00 0.00 H new ATOM 854 N ASP A 55 14.794 10.688 0.269 1.00 0.00 N ATOM 855 CA ASP A 55 14.783 9.952 1.527 1.00 0.00 C ATOM 856 C ASP A 55 15.498 8.612 1.379 1.00 0.00 C ATOM 857 O ASP A 55 16.194 8.166 2.291 1.00 0.00 O ATOM 858 CB ASP A 55 13.346 9.728 2.000 1.00 0.00 C ATOM 859 CG ASP A 55 13.233 9.688 3.511 1.00 0.00 C ATOM 860 OD1 ASP A 55 13.788 10.591 4.171 1.00 0.00 O ATOM 861 OD2 ASP A 55 12.591 8.753 4.034 1.00 0.00 O ATOM 0 H ASP A 55 13.870 10.859 -0.127 1.00 0.00 H new ATOM 0 HA ASP A 55 15.313 10.546 2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.711 10.524 1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.972 8.792 1.586 1.00 0.00 H new ATOM 866 N GLN A 56 15.320 7.977 0.226 1.00 0.00 N ATOM 867 CA GLN A 56 15.946 6.687 -0.040 1.00 0.00 C ATOM 868 C GLN A 56 17.459 6.833 -0.165 1.00 0.00 C ATOM 869 O GLN A 56 18.214 5.967 0.278 1.00 0.00 O ATOM 870 CB GLN A 56 15.374 6.072 -1.318 1.00 0.00 C ATOM 871 CG GLN A 56 14.266 5.063 -1.064 1.00 0.00 C ATOM 872 CD GLN A 56 14.730 3.883 -0.234 1.00 0.00 C ATOM 873 OE1 GLN A 56 15.474 3.026 -0.713 1.00 0.00 O ATOM 874 NE2 GLN A 56 14.293 3.832 1.019 1.00 0.00 N ATOM 0 H GLN A 56 14.748 8.334 -0.539 1.00 0.00 H new ATOM 0 HA GLN A 56 15.730 6.027 0.800 1.00 0.00 H new ATOM 0 HB2 GLN A 56 14.989 6.869 -1.954 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.179 5.585 -1.869 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.439 5.558 -0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.882 4.702 -2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.678 4.564 1.375 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.573 3.061 1.626 1.00 0.00 H new ATOM 883 N ARG A 57 17.895 7.932 -0.771 1.00 0.00 N ATOM 884 CA ARG A 57 19.318 8.190 -0.955 1.00 0.00 C ATOM 885 C ARG A 57 20.031 8.292 0.390 1.00 0.00 C ATOM 886 O ARG A 57 21.127 7.758 0.565 1.00 0.00 O ATOM 887 CB ARG A 57 19.525 9.479 -1.753 1.00 0.00 C ATOM 888 CG ARG A 57 19.271 9.320 -3.243 1.00 0.00 C ATOM 889 CD ARG A 57 19.215 10.668 -3.945 1.00 0.00 C ATOM 890 NE ARG A 57 20.454 10.967 -4.657 1.00 0.00 N ATOM 891 CZ ARG A 57 20.539 11.849 -5.647 1.00 0.00 C ATOM 892 NH1 ARG A 57 19.462 12.516 -6.038 1.00 0.00 N ATOM 893 NH2 ARG A 57 21.702 12.066 -6.246 1.00 0.00 N ATOM 0 H ARG A 57 17.283 8.658 -1.143 1.00 0.00 H new ATOM 0 HA ARG A 57 19.744 7.354 -1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 57 18.862 10.250 -1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 57 20.546 9.830 -1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 57 20.060 8.711 -3.685 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.332 8.788 -3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 57 18.382 10.676 -4.648 1.00 0.00 H new ATOM 0 HD3 ARG A 57 19.021 11.451 -3.212 1.00 0.00 H new ATOM 0 HE ARG A 57 21.301 10.471 -4.379 1.00 0.00 H new ATOM 0 HH11 ARG A 57 18.566 12.352 -5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 57 19.529 13.193 -6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 57 22.533 11.555 -5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 57 21.766 12.743 -7.006 1.00 0.00 H new ATOM 907 N ILE A 58 19.402 8.980 1.337 1.00 0.00 N ATOM 908 CA ILE A 58 19.976 9.151 2.666 1.00 0.00 C ATOM 909 C ILE A 58 19.983 7.835 3.435 1.00 0.00 C ATOM 910 O ILE A 58 20.981 7.473 4.058 1.00 0.00 O ATOM 911 CB ILE A 58 19.204 10.205 3.481 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.152 11.532 2.721 1.00 0.00 C ATOM 913 CG2 ILE A 58 19.849 10.395 4.846 1.00 0.00 C ATOM 914 CD1 ILE A 58 20.517 12.093 2.390 1.00 0.00 C ATOM 0 H ILE A 58 18.495 9.428 1.209 1.00 0.00 H new ATOM 0 HA ILE A 58 21.002 9.492 2.525 1.00 0.00 H new ATOM 0 HB ILE A 58 18.183 9.853 3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.593 11.390 1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.603 12.261 3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.292 11.143 5.411 1.00 0.00 H new ATOM 0 HG22 ILE A 58 19.839 9.449 5.388 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.879 10.729 4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.403 13.034 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.072 12.267 3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.061 11.383 1.768 1.00 0.00 H new ATOM 926 N SER A 59 18.863 7.120 3.385 1.00 0.00 N ATOM 927 CA SER A 59 18.739 5.844 4.079 1.00 0.00 C ATOM 928 C SER A 59 19.672 4.801 3.470 1.00 0.00 C ATOM 929 O SER A 59 20.159 3.909 4.163 1.00 0.00 O ATOM 930 CB SER A 59 17.294 5.346 4.021 1.00 0.00 C ATOM 931 OG SER A 59 17.135 4.152 4.768 1.00 0.00 O ATOM 0 H SER A 59 18.029 7.403 2.871 1.00 0.00 H new ATOM 0 HA SER A 59 19.022 5.997 5.120 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.626 6.114 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.008 5.171 2.984 1.00 0.00 H new ATOM 0 HG SER A 59 16.202 3.855 4.716 1.00 0.00 H new ATOM 937 N GLN A 60 19.916 4.923 2.169 1.00 0.00 N ATOM 938 CA GLN A 60 20.789 3.991 1.465 1.00 0.00 C ATOM 939 C GLN A 60 22.239 4.165 1.906 1.00 0.00 C ATOM 940 O GLN A 60 22.949 3.187 2.139 1.00 0.00 O ATOM 941 CB GLN A 60 20.675 4.194 -0.047 1.00 0.00 C ATOM 942 CG GLN A 60 21.441 3.162 -0.859 1.00 0.00 C ATOM 943 CD GLN A 60 20.945 1.749 -0.623 1.00 0.00 C ATOM 944 OE1 GLN A 60 19.753 1.469 -0.746 1.00 0.00 O ATOM 945 NE2 GLN A 60 21.861 0.849 -0.283 1.00 0.00 N ATOM 0 H GLN A 60 19.522 5.658 1.581 1.00 0.00 H new ATOM 0 HA GLN A 60 20.472 2.978 1.713 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.623 4.160 -0.331 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.042 5.189 -0.300 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.354 3.401 -1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.500 3.219 -0.606 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.839 1.125 -0.192 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.587 -0.119 -0.113 1.00 0.00 H new ATOM 954 N ALA A 61 22.671 5.417 2.018 1.00 0.00 N ATOM 955 CA ALA A 61 24.036 5.719 2.432 1.00 0.00 C ATOM 956 C ALA A 61 24.324 5.162 3.822 1.00 0.00 C ATOM 957 O ALA A 61 25.369 4.553 4.054 1.00 0.00 O ATOM 958 CB ALA A 61 24.275 7.221 2.404 1.00 0.00 C ATOM 0 H ALA A 61 22.096 6.238 1.828 1.00 0.00 H new ATOM 0 HA ALA A 61 24.717 5.240 1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.298 7.433 2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 61 24.119 7.595 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.580 7.713 3.084 1.00 0.00 H new ATOM 964 N LYS A 62 23.391 5.374 4.744 1.00 0.00 N ATOM 965 CA LYS A 62 23.544 4.892 6.112 1.00 0.00 C ATOM 966 C LYS A 62 23.407 3.374 6.173 1.00 0.00 C ATOM 967 O LYS A 62 24.051 2.715 6.991 1.00 0.00 O ATOM 968 CB LYS A 62 22.502 5.546 7.024 1.00 0.00 C ATOM 969 CG LYS A 62 22.559 7.064 7.021 1.00 0.00 C ATOM 970 CD LYS A 62 21.189 7.673 7.274 1.00 0.00 C ATOM 971 CE LYS A 62 20.687 7.354 8.674 1.00 0.00 C ATOM 972 NZ LYS A 62 19.247 7.695 8.837 1.00 0.00 N ATOM 0 H LYS A 62 22.521 5.876 4.569 1.00 0.00 H new ATOM 0 HA LYS A 62 24.542 5.163 6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.507 5.227 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.647 5.187 8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.257 7.405 7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 62 22.942 7.413 6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 62 21.240 8.754 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.480 7.295 6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.835 6.294 8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 62 21.276 7.906 9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.943 7.463 9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.109 8.711 8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.682 7.149 8.156 1.00 0.00 H new ATOM 986 N LEU A 63 22.567 2.825 5.303 1.00 0.00 N ATOM 987 CA LEU A 63 22.347 1.384 5.257 1.00 0.00 C ATOM 988 C LEU A 63 23.597 0.658 4.770 1.00 0.00 C ATOM 989 O LEU A 63 24.055 -0.300 5.394 1.00 0.00 O ATOM 990 CB LEU A 63 21.165 1.057 4.343 1.00 0.00 C ATOM 991 CG LEU A 63 21.040 -0.402 3.903 1.00 0.00 C ATOM 992 CD1 LEU A 63 21.071 -1.328 5.108 1.00 0.00 C ATOM 993 CD2 LEU A 63 19.764 -0.609 3.100 1.00 0.00 C ATOM 0 H LEU A 63 22.027 3.356 4.620 1.00 0.00 H new ATOM 0 HA LEU A 63 22.122 1.043 6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 63 20.246 1.341 4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 63 21.238 1.679 3.451 1.00 0.00 H new ATOM 0 HG LEU A 63 21.890 -0.643 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 63 20.981 -2.362 4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 63 22.013 -1.200 5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 63 20.242 -1.088 5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 63 19.691 -1.653 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 63 18.902 -0.349 3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 63 19.784 0.027 2.215 1.00 0.00 H new ATOM 1005 N LEU A 64 24.146 1.122 3.652 1.00 0.00 N ATOM 1006 CA LEU A 64 25.346 0.519 3.082 1.00 0.00 C ATOM 1007 C LEU A 64 26.565 0.799 3.955 1.00 0.00 C ATOM 1008 O LEU A 64 27.436 -0.057 4.116 1.00 0.00 O ATOM 1009 CB LEU A 64 25.584 1.051 1.667 1.00 0.00 C ATOM 1010 CG LEU A 64 26.168 2.460 1.570 1.00 0.00 C ATOM 1011 CD1 LEU A 64 27.688 2.409 1.560 1.00 0.00 C ATOM 1012 CD2 LEU A 64 25.648 3.168 0.328 1.00 0.00 C ATOM 0 H LEU A 64 23.779 1.913 3.123 1.00 0.00 H new ATOM 0 HA LEU A 64 25.195 -0.560 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 64 26.255 0.365 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 64 24.636 1.034 1.130 1.00 0.00 H new ATOM 0 HG LEU A 64 25.850 3.025 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 64 28.086 3.422 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 64 28.042 1.942 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 64 28.027 1.827 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 64 26.074 4.170 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 64 25.935 2.604 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 64 24.561 3.238 0.377 1.00 0.00 H new ATOM 1024 N LEU A 65 26.618 2.000 4.519 1.00 0.00 N ATOM 1025 CA LEU A 65 27.730 2.393 5.378 1.00 0.00 C ATOM 1026 C LEU A 65 27.845 1.460 6.579 1.00 0.00 C ATOM 1027 O LEU A 65 28.934 1.253 7.115 1.00 0.00 O ATOM 1028 CB LEU A 65 27.547 3.835 5.855 1.00 0.00 C ATOM 1029 CG LEU A 65 28.102 4.922 4.933 1.00 0.00 C ATOM 1030 CD1 LEU A 65 27.459 6.265 5.243 1.00 0.00 C ATOM 1031 CD2 LEU A 65 29.615 5.010 5.065 1.00 0.00 C ATOM 0 H LEU A 65 25.905 2.719 4.397 1.00 0.00 H new ATOM 0 HA LEU A 65 28.649 2.323 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 65 26.482 4.017 5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.022 3.937 6.831 1.00 0.00 H new ATOM 0 HG LEU A 65 27.861 4.657 3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 65 27.866 7.026 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.381 6.195 5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 65 27.668 6.538 6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 65 29.993 5.788 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 65 29.877 5.252 6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.060 4.053 4.792 1.00 0.00 H new ATOM 1043 N SER A 66 26.715 0.897 6.996 1.00 0.00 N ATOM 1044 CA SER A 66 26.689 -0.013 8.135 1.00 0.00 C ATOM 1045 C SER A 66 27.323 -1.353 7.773 1.00 0.00 C ATOM 1046 O SER A 66 27.832 -2.067 8.638 1.00 0.00 O ATOM 1047 CB SER A 66 25.251 -0.228 8.610 1.00 0.00 C ATOM 1048 OG SER A 66 24.762 0.915 9.290 1.00 0.00 O ATOM 0 H SER A 66 25.806 1.055 6.562 1.00 0.00 H new ATOM 0 HA SER A 66 27.267 0.437 8.942 1.00 0.00 H new ATOM 0 HB2 SER A 66 24.611 -0.448 7.755 1.00 0.00 H new ATOM 0 HB3 SER A 66 25.209 -1.094 9.271 1.00 0.00 H new ATOM 0 HG SER A 66 24.507 1.600 8.637 1.00 0.00 H new ATOM 1054 N THR A 67 27.288 -1.690 6.488 1.00 0.00 N ATOM 1055 CA THR A 67 27.857 -2.944 6.010 1.00 0.00 C ATOM 1056 C THR A 67 29.120 -2.699 5.193 1.00 0.00 C ATOM 1057 O THR A 67 29.688 -3.626 4.615 1.00 0.00 O ATOM 1058 CB THR A 67 26.847 -3.728 5.151 1.00 0.00 C ATOM 1059 OG1 THR A 67 27.445 -4.938 4.673 1.00 0.00 O ATOM 1060 CG2 THR A 67 26.374 -2.890 3.973 1.00 0.00 C ATOM 0 H THR A 67 26.871 -1.111 5.759 1.00 0.00 H new ATOM 0 HA THR A 67 28.107 -3.534 6.892 1.00 0.00 H new ATOM 0 HB THR A 67 25.986 -3.971 5.773 1.00 0.00 H new ATOM 0 HG1 THR A 67 28.416 -4.822 4.615 1.00 0.00 H new ATOM 0 HG21 THR A 67 25.662 -3.464 3.381 1.00 0.00 H new ATOM 0 HG22 THR A 67 25.893 -1.984 4.341 1.00 0.00 H new ATOM 0 HG23 THR A 67 27.228 -2.621 3.352 1.00 0.00 H new ATOM 1068 N THR A 68 29.555 -1.443 5.147 1.00 0.00 N ATOM 1069 CA THR A 68 30.751 -1.076 4.400 1.00 0.00 C ATOM 1070 C THR A 68 31.664 -0.179 5.228 1.00 0.00 C ATOM 1071 O THR A 68 31.223 0.454 6.188 1.00 0.00 O ATOM 1072 CB THR A 68 30.393 -0.352 3.088 1.00 0.00 C ATOM 1073 OG1 THR A 68 29.744 0.891 3.375 1.00 0.00 O ATOM 1074 CG2 THR A 68 29.486 -1.216 2.224 1.00 0.00 C ATOM 0 H THR A 68 29.096 -0.663 5.618 1.00 0.00 H new ATOM 0 HA THR A 68 31.273 -2.003 4.165 1.00 0.00 H new ATOM 0 HB THR A 68 31.316 -0.161 2.541 1.00 0.00 H new ATOM 0 HG1 THR A 68 29.006 0.738 4.001 1.00 0.00 H new ATOM 0 HG21 THR A 68 29.246 -0.684 1.303 1.00 0.00 H new ATOM 0 HG22 THR A 68 29.995 -2.149 1.982 1.00 0.00 H new ATOM 0 HG23 THR A 68 28.566 -1.434 2.767 1.00 0.00 H new ATOM 1082 N ARG A 69 32.937 -0.130 4.852 1.00 0.00 N ATOM 1083 CA ARG A 69 33.912 0.690 5.562 1.00 0.00 C ATOM 1084 C ARG A 69 34.572 1.690 4.617 1.00 0.00 C ATOM 1085 O ARG A 69 35.635 2.233 4.916 1.00 0.00 O ATOM 1086 CB ARG A 69 34.979 -0.195 6.210 1.00 0.00 C ATOM 1087 CG ARG A 69 35.554 -1.243 5.271 1.00 0.00 C ATOM 1088 CD ARG A 69 34.790 -2.555 5.365 1.00 0.00 C ATOM 1089 NE ARG A 69 35.382 -3.463 6.344 1.00 0.00 N ATOM 1090 CZ ARG A 69 35.129 -4.767 6.383 1.00 0.00 C ATOM 1091 NH1 ARG A 69 34.301 -5.312 5.503 1.00 0.00 N ATOM 1092 NH2 ARG A 69 35.706 -5.528 7.304 1.00 0.00 N ATOM 0 H ARG A 69 33.318 -0.648 4.060 1.00 0.00 H new ATOM 0 HA ARG A 69 33.386 1.243 6.340 1.00 0.00 H new ATOM 0 HB2 ARG A 69 35.789 0.436 6.576 1.00 0.00 H new ATOM 0 HB3 ARG A 69 34.547 -0.694 7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 69 35.519 -0.873 4.246 1.00 0.00 H new ATOM 0 HG3 ARG A 69 36.603 -1.413 5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 69 33.754 -2.353 5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 69 34.774 -3.036 4.387 1.00 0.00 H new ATOM 0 HE ARG A 69 36.024 -3.075 7.035 1.00 0.00 H new ATOM 0 HH11 ARG A 69 33.856 -4.730 4.793 1.00 0.00 H new ATOM 0 HH12 ARG A 69 34.109 -6.313 5.536 1.00 0.00 H new ATOM 0 HH21 ARG A 69 36.344 -5.112 7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 69 35.511 -6.529 7.334 1.00 0.00 H new ATOM 1106 N MET A 70 33.934 1.928 3.476 1.00 0.00 N ATOM 1107 CA MET A 70 34.459 2.863 2.488 1.00 0.00 C ATOM 1108 C MET A 70 34.401 4.295 3.010 1.00 0.00 C ATOM 1109 O MET A 70 33.621 4.624 3.904 1.00 0.00 O ATOM 1110 CB MET A 70 33.672 2.752 1.180 1.00 0.00 C ATOM 1111 CG MET A 70 34.064 1.551 0.335 1.00 0.00 C ATOM 1112 SD MET A 70 32.989 1.328 -1.095 1.00 0.00 S ATOM 1113 CE MET A 70 31.414 1.036 -0.293 1.00 0.00 C ATOM 0 H MET A 70 33.053 1.486 3.213 1.00 0.00 H new ATOM 0 HA MET A 70 35.501 2.606 2.299 1.00 0.00 H new ATOM 0 HB2 MET A 70 32.608 2.693 1.410 1.00 0.00 H new ATOM 0 HB3 MET A 70 33.822 3.661 0.597 1.00 0.00 H new ATOM 0 HG2 MET A 70 35.093 1.670 -0.004 1.00 0.00 H new ATOM 0 HG3 MET A 70 34.034 0.652 0.951 1.00 0.00 H new ATOM 0 HE1 MET A 70 30.970 0.122 -0.686 1.00 0.00 H new ATOM 0 HE2 MET A 70 31.566 0.933 0.781 1.00 0.00 H new ATOM 0 HE3 MET A 70 30.746 1.876 -0.486 1.00 0.00 H new ATOM 1123 N PRO A 71 35.245 5.169 2.441 1.00 0.00 N ATOM 1124 CA PRO A 71 35.308 6.579 2.834 1.00 0.00 C ATOM 1125 C PRO A 71 34.065 7.355 2.411 1.00 0.00 C ATOM 1126 O PRO A 71 33.280 6.886 1.586 1.00 0.00 O ATOM 1127 CB PRO A 71 36.541 7.100 2.091 1.00 0.00 C ATOM 1128 CG PRO A 71 36.684 6.196 0.915 1.00 0.00 C ATOM 1129 CD PRO A 71 36.202 4.846 1.369 1.00 0.00 C ATOM 0 HA PRO A 71 35.363 6.698 3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.407 8.136 1.780 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.428 7.069 2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.096 6.557 0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.721 6.149 0.583 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.726 4.295 0.558 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.022 4.228 1.735 1.00 0.00 H new ATOM 1137 N ILE A 72 33.892 8.543 2.980 1.00 0.00 N ATOM 1138 CA ILE A 72 32.745 9.383 2.660 1.00 0.00 C ATOM 1139 C ILE A 72 32.720 9.739 1.178 1.00 0.00 C ATOM 1140 O ILE A 72 31.654 9.919 0.590 1.00 0.00 O ATOM 1141 CB ILE A 72 32.751 10.682 3.488 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.782 10.360 4.983 1.00 0.00 C ATOM 1143 CG2 ILE A 72 31.534 11.531 3.149 1.00 0.00 C ATOM 1144 CD1 ILE A 72 32.796 11.588 5.866 1.00 0.00 C ATOM 0 H ILE A 72 34.532 8.945 3.665 1.00 0.00 H new ATOM 0 HA ILE A 72 31.853 8.807 2.908 1.00 0.00 H new ATOM 0 HB ILE A 72 33.648 11.250 3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 72 31.912 9.752 5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 72 33.665 9.758 5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 72 31.552 12.446 3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 72 31.551 11.785 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.626 10.971 3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 72 32.818 11.284 6.912 1.00 0.00 H new ATOM 0 HD12 ILE A 72 33.680 12.186 5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.900 12.181 5.679 1.00 0.00 H new ATOM 1156 N ALA A 73 33.902 9.836 0.578 1.00 0.00 N ATOM 1157 CA ALA A 73 34.016 10.166 -0.837 1.00 0.00 C ATOM 1158 C ALA A 73 33.406 9.071 -1.706 1.00 0.00 C ATOM 1159 O ALA A 73 32.641 9.351 -2.630 1.00 0.00 O ATOM 1160 CB ALA A 73 35.474 10.389 -1.211 1.00 0.00 C ATOM 0 H ALA A 73 34.794 9.691 1.050 1.00 0.00 H new ATOM 0 HA ALA A 73 33.462 11.087 -1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.544 10.635 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.880 11.210 -0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 73 36.044 9.482 -1.010 1.00 0.00 H new ATOM 1166 N THR A 74 33.750 7.823 -1.406 1.00 0.00 N ATOM 1167 CA THR A 74 33.238 6.686 -2.162 1.00 0.00 C ATOM 1168 C THR A 74 31.747 6.491 -1.917 1.00 0.00 C ATOM 1169 O THR A 74 30.963 6.370 -2.859 1.00 0.00 O ATOM 1170 CB THR A 74 33.982 5.388 -1.795 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.396 5.594 -1.874 1.00 0.00 O ATOM 1172 CG2 THR A 74 33.577 4.253 -2.724 1.00 0.00 C ATOM 0 H THR A 74 34.381 7.573 -0.645 1.00 0.00 H new ATOM 0 HA THR A 74 33.404 6.905 -3.217 1.00 0.00 H new ATOM 0 HB THR A 74 33.712 5.116 -0.774 1.00 0.00 H new ATOM 0 HG1 THR A 74 35.861 4.764 -1.637 1.00 0.00 H new ATOM 0 HG21 THR A 74 34.115 3.346 -2.447 1.00 0.00 H new ATOM 0 HG22 THR A 74 32.504 4.079 -2.640 1.00 0.00 H new ATOM 0 HG23 THR A 74 33.822 4.520 -3.752 1.00 0.00 H new ATOM 1180 N VAL A 75 31.359 6.461 -0.646 1.00 0.00 N ATOM 1181 CA VAL A 75 29.959 6.283 -0.277 1.00 0.00 C ATOM 1182 C VAL A 75 29.083 7.356 -0.912 1.00 0.00 C ATOM 1183 O VAL A 75 27.982 7.074 -1.383 1.00 0.00 O ATOM 1184 CB VAL A 75 29.772 6.320 1.251 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.301 6.184 1.613 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.596 5.227 1.915 1.00 0.00 C ATOM 0 H VAL A 75 31.995 6.558 0.146 1.00 0.00 H new ATOM 0 HA VAL A 75 29.656 5.304 -0.648 1.00 0.00 H new ATOM 0 HB VAL A 75 30.124 7.284 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.189 6.212 2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.739 7.006 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 75 27.919 5.236 1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.452 5.268 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.277 4.254 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.651 5.375 1.684 1.00 0.00 H new ATOM 1196 N GLY A 76 29.579 8.589 -0.922 1.00 0.00 N ATOM 1197 CA GLY A 76 28.828 9.687 -1.502 1.00 0.00 C ATOM 1198 C GLY A 76 28.456 9.434 -2.949 1.00 0.00 C ATOM 1199 O GLY A 76 27.407 9.880 -3.414 1.00 0.00 O ATOM 0 H GLY A 76 30.488 8.847 -0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.921 9.850 -0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.418 10.601 -1.436 1.00 0.00 H new ATOM 1203 N ARG A 77 29.318 8.718 -3.664 1.00 0.00 N ATOM 1204 CA ARG A 77 29.075 8.409 -5.068 1.00 0.00 C ATOM 1205 C ARG A 77 27.952 7.387 -5.213 1.00 0.00 C ATOM 1206 O ARG A 77 27.200 7.410 -6.186 1.00 0.00 O ATOM 1207 CB ARG A 77 30.351 7.878 -5.723 1.00 0.00 C ATOM 1208 CG ARG A 77 30.468 8.225 -7.198 1.00 0.00 C ATOM 1209 CD ARG A 77 30.720 9.710 -7.402 1.00 0.00 C ATOM 1210 NE ARG A 77 32.117 10.066 -7.170 1.00 0.00 N ATOM 1211 CZ ARG A 77 33.092 9.823 -8.040 1.00 0.00 C ATOM 1212 NH1 ARG A 77 32.822 9.228 -9.193 1.00 0.00 N ATOM 1213 NH2 ARG A 77 34.339 10.177 -7.756 1.00 0.00 N ATOM 0 H ARG A 77 30.191 8.341 -3.294 1.00 0.00 H new ATOM 0 HA ARG A 77 28.773 9.328 -5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 77 31.215 8.280 -5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 77 30.384 6.794 -5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 77 31.281 7.652 -7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 77 29.553 7.936 -7.715 1.00 0.00 H new ATOM 0 HD2 ARG A 77 30.439 9.989 -8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 77 30.083 10.282 -6.727 1.00 0.00 H new ATOM 0 HE ARG A 77 32.358 10.526 -6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 77 31.864 8.956 -9.414 1.00 0.00 H new ATOM 0 HH12 ARG A 77 33.572 9.043 -9.859 1.00 0.00 H new ATOM 0 HH21 ARG A 77 34.550 10.636 -6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 77 35.087 9.990 -8.424 1.00 0.00 H new ATOM 1227 N ASN A 78 27.845 6.489 -4.238 1.00 0.00 N ATOM 1228 CA ASN A 78 26.815 5.458 -4.258 1.00 0.00 C ATOM 1229 C ASN A 78 25.422 6.080 -4.271 1.00 0.00 C ATOM 1230 O ASN A 78 24.488 5.526 -4.851 1.00 0.00 O ATOM 1231 CB ASN A 78 26.963 4.536 -3.046 1.00 0.00 C ATOM 1232 CG ASN A 78 28.169 3.623 -3.158 1.00 0.00 C ATOM 1233 OD1 ASN A 78 29.344 4.153 -2.838 1.00 0.00 O flip ATOM 1234 ND2 ASN A 78 28.045 2.455 -3.527 1.00 0.00 N flip ATOM 0 H ASN A 78 28.459 6.455 -3.425 1.00 0.00 H new ATOM 0 HA ASN A 78 26.940 4.873 -5.169 1.00 0.00 H new ATOM 0 HB2 ASN A 78 27.050 5.139 -2.142 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.062 3.932 -2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 78 27.122 2.090 -3.763 1.00 0.00 H new ATOM 0 HD22 ASN A 78 28.865 1.852 -3.597 1.00 0.00 H new ATOM 1241 N VAL A 79 25.290 7.236 -3.627 1.00 0.00 N ATOM 1242 CA VAL A 79 24.012 7.935 -3.565 1.00 0.00 C ATOM 1243 C VAL A 79 23.849 8.887 -4.745 1.00 0.00 C ATOM 1244 O VAL A 79 22.821 9.547 -4.886 1.00 0.00 O ATOM 1245 CB VAL A 79 23.871 8.730 -2.254 1.00 0.00 C ATOM 1246 CG1 VAL A 79 23.868 7.792 -1.057 1.00 0.00 C ATOM 1247 CG2 VAL A 79 24.985 9.759 -2.133 1.00 0.00 C ATOM 0 H VAL A 79 26.053 7.708 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 79 23.232 7.175 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 79 22.918 9.259 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.768 8.373 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 79 23.032 7.098 -1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 79 24.803 7.232 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 79 24.870 10.312 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 79 25.950 9.253 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 79 24.934 10.451 -2.974 1.00 0.00 H new ATOM 1257 N GLY A 80 24.873 8.953 -5.591 1.00 0.00 N ATOM 1258 CA GLY A 80 24.823 9.827 -6.749 1.00 0.00 C ATOM 1259 C GLY A 80 25.453 11.179 -6.481 1.00 0.00 C ATOM 1260 O GLY A 80 25.109 12.171 -7.124 1.00 0.00 O ATOM 0 H GLY A 80 25.736 8.417 -5.495 1.00 0.00 H new ATOM 0 HA2 GLY A 80 25.336 9.349 -7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 80 23.785 9.966 -7.051 1.00 0.00 H new ATOM 1264 N PHE A 81 26.379 11.221 -5.528 1.00 0.00 N ATOM 1265 CA PHE A 81 27.057 12.463 -5.175 1.00 0.00 C ATOM 1266 C PHE A 81 28.570 12.310 -5.299 1.00 0.00 C ATOM 1267 O PHE A 81 29.185 11.515 -4.587 1.00 0.00 O ATOM 1268 CB PHE A 81 26.690 12.882 -3.750 1.00 0.00 C ATOM 1269 CG PHE A 81 25.234 13.209 -3.578 1.00 0.00 C ATOM 1270 CD1 PHE A 81 24.523 13.821 -4.597 1.00 0.00 C ATOM 1271 CD2 PHE A 81 24.578 12.905 -2.396 1.00 0.00 C ATOM 1272 CE1 PHE A 81 23.183 14.123 -4.442 1.00 0.00 C ATOM 1273 CE2 PHE A 81 23.238 13.205 -2.235 1.00 0.00 C ATOM 1274 CZ PHE A 81 22.540 13.816 -3.259 1.00 0.00 C ATOM 0 H PHE A 81 26.677 10.409 -4.987 1.00 0.00 H new ATOM 0 HA PHE A 81 26.730 13.237 -5.869 1.00 0.00 H new ATOM 0 HB2 PHE A 81 26.957 12.079 -3.063 1.00 0.00 H new ATOM 0 HB3 PHE A 81 27.285 13.752 -3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 81 25.021 14.065 -5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 81 25.119 12.429 -1.592 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.640 14.598 -5.245 1.00 0.00 H new ATOM 0 HE2 PHE A 81 22.737 12.962 -1.310 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.494 14.053 -3.135 1.00 0.00 H new ATOM 1284 N ASP A 82 29.164 13.076 -6.207 1.00 0.00 N ATOM 1285 CA ASP A 82 30.605 13.028 -6.424 1.00 0.00 C ATOM 1286 C ASP A 82 31.339 13.891 -5.402 1.00 0.00 C ATOM 1287 O ASP A 82 32.467 13.588 -5.015 1.00 0.00 O ATOM 1288 CB ASP A 82 30.945 13.494 -7.841 1.00 0.00 C ATOM 1289 CG ASP A 82 32.414 13.830 -8.003 1.00 0.00 C ATOM 1290 OD1 ASP A 82 33.260 13.013 -7.582 1.00 0.00 O ATOM 1291 OD2 ASP A 82 32.719 14.911 -8.549 1.00 0.00 O ATOM 0 H ASP A 82 28.670 13.738 -6.805 1.00 0.00 H new ATOM 0 HA ASP A 82 30.931 11.995 -6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 82 30.673 12.714 -8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 82 30.346 14.371 -8.086 1.00 0.00 H new ATOM 1296 N ASP A 83 30.690 14.966 -4.969 1.00 0.00 N ATOM 1297 CA ASP A 83 31.280 15.873 -3.992 1.00 0.00 C ATOM 1298 C ASP A 83 31.041 15.371 -2.571 1.00 0.00 C ATOM 1299 O ASP A 83 29.899 15.234 -2.136 1.00 0.00 O ATOM 1300 CB ASP A 83 30.699 17.279 -4.154 1.00 0.00 C ATOM 1301 CG ASP A 83 31.478 18.116 -5.149 1.00 0.00 C ATOM 1302 OD1 ASP A 83 32.656 18.424 -4.873 1.00 0.00 O ATOM 1303 OD2 ASP A 83 30.909 18.463 -6.205 1.00 0.00 O ATOM 0 H ASP A 83 29.755 15.231 -5.279 1.00 0.00 H new ATOM 0 HA ASP A 83 32.355 15.910 -4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 83 29.661 17.205 -4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 83 30.694 17.781 -3.186 1.00 0.00 H new ATOM 1308 N GLN A 84 32.127 15.099 -1.855 1.00 0.00 N ATOM 1309 CA GLN A 84 32.035 14.610 -0.485 1.00 0.00 C ATOM 1310 C GLN A 84 31.362 15.641 0.417 1.00 0.00 C ATOM 1311 O GLN A 84 30.551 15.294 1.276 1.00 0.00 O ATOM 1312 CB GLN A 84 33.427 14.276 0.054 1.00 0.00 C ATOM 1313 CG GLN A 84 33.443 13.957 1.541 1.00 0.00 C ATOM 1314 CD GLN A 84 33.721 15.177 2.396 1.00 0.00 C ATOM 1315 OE1 GLN A 84 32.805 15.773 2.964 1.00 0.00 O ATOM 1316 NE2 GLN A 84 34.990 15.555 2.494 1.00 0.00 N ATOM 0 H GLN A 84 33.080 15.209 -2.201 1.00 0.00 H new ATOM 0 HA GLN A 84 31.427 13.705 -0.489 1.00 0.00 H new ATOM 0 HB2 GLN A 84 33.826 13.424 -0.496 1.00 0.00 H new ATOM 0 HB3 GLN A 84 34.093 15.118 -0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 84 32.482 13.529 1.827 1.00 0.00 H new ATOM 0 HG3 GLN A 84 34.201 13.199 1.738 1.00 0.00 H new ATOM 0 HE21 GLN A 84 35.717 15.032 2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 84 35.238 16.369 3.057 1.00 0.00 H new ATOM 1325 N LEU A 85 31.704 16.908 0.215 1.00 0.00 N ATOM 1326 CA LEU A 85 31.133 17.990 1.010 1.00 0.00 C ATOM 1327 C LEU A 85 29.648 18.161 0.709 1.00 0.00 C ATOM 1328 O LEU A 85 28.863 18.516 1.589 1.00 0.00 O ATOM 1329 CB LEU A 85 31.875 19.299 0.733 1.00 0.00 C ATOM 1330 CG LEU A 85 33.305 19.386 1.268 1.00 0.00 C ATOM 1331 CD1 LEU A 85 34.084 20.466 0.534 1.00 0.00 C ATOM 1332 CD2 LEU A 85 33.300 19.654 2.766 1.00 0.00 C ATOM 0 H LEU A 85 32.373 17.212 -0.492 1.00 0.00 H new ATOM 0 HA LEU A 85 31.244 17.732 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 85 31.901 19.457 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 85 31.298 20.118 1.161 1.00 0.00 H new ATOM 0 HG LEU A 85 33.797 18.429 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 85 35.099 20.514 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 85 34.118 20.231 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 85 33.594 21.429 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.326 19.713 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 85 32.790 20.597 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 85 32.780 18.845 3.279 1.00 0.00 H new ATOM 1344 N TYR A 86 29.268 17.904 -0.537 1.00 0.00 N ATOM 1345 CA TYR A 86 27.877 18.030 -0.954 1.00 0.00 C ATOM 1346 C TYR A 86 26.987 17.060 -0.182 1.00 0.00 C ATOM 1347 O TYR A 86 25.943 17.443 0.346 1.00 0.00 O ATOM 1348 CB TYR A 86 27.747 17.772 -2.456 1.00 0.00 C ATOM 1349 CG TYR A 86 26.359 18.032 -2.998 1.00 0.00 C ATOM 1350 CD1 TYR A 86 25.339 17.106 -2.819 1.00 0.00 C ATOM 1351 CD2 TYR A 86 26.069 19.202 -3.689 1.00 0.00 C ATOM 1352 CE1 TYR A 86 24.069 17.338 -3.313 1.00 0.00 C ATOM 1353 CE2 TYR A 86 24.802 19.443 -4.184 1.00 0.00 C ATOM 1354 CZ TYR A 86 23.806 18.508 -3.994 1.00 0.00 C ATOM 1355 OH TYR A 86 22.543 18.744 -4.487 1.00 0.00 O ATOM 0 H TYR A 86 29.904 17.607 -1.277 1.00 0.00 H new ATOM 0 HA TYR A 86 27.550 19.047 -0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 86 28.459 18.403 -2.987 1.00 0.00 H new ATOM 0 HB3 TYR A 86 28.021 16.738 -2.663 1.00 0.00 H new ATOM 0 HD1 TYR A 86 25.542 16.189 -2.285 1.00 0.00 H new ATOM 0 HD2 TYR A 86 26.847 19.935 -3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 86 23.287 16.607 -3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 86 24.592 20.359 -4.717 1.00 0.00 H new ATOM 0 HH TYR A 86 22.526 19.613 -4.939 1.00 0.00 H new ATOM 1365 N PHE A 87 27.409 15.801 -0.120 1.00 0.00 N ATOM 1366 CA PHE A 87 26.652 14.775 0.587 1.00 0.00 C ATOM 1367 C PHE A 87 26.636 15.048 2.088 1.00 0.00 C ATOM 1368 O PHE A 87 25.604 14.910 2.744 1.00 0.00 O ATOM 1369 CB PHE A 87 27.249 13.393 0.315 1.00 0.00 C ATOM 1370 CG PHE A 87 26.657 12.306 1.166 1.00 0.00 C ATOM 1371 CD1 PHE A 87 25.314 11.980 1.060 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.443 11.610 2.070 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.767 10.981 1.843 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.900 10.610 2.855 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.561 10.294 2.740 1.00 0.00 C ATOM 0 H PHE A 87 28.271 15.467 -0.551 1.00 0.00 H new ATOM 0 HA PHE A 87 25.626 14.799 0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 87 27.101 13.142 -0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 87 28.325 13.431 0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.689 12.512 0.358 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.492 11.851 2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.719 10.738 1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.523 10.076 3.558 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.135 9.511 3.350 1.00 0.00 H new ATOM 1385 N SER A 88 27.788 15.436 2.625 1.00 0.00 N ATOM 1386 CA SER A 88 27.909 15.724 4.049 1.00 0.00 C ATOM 1387 C SER A 88 27.068 16.939 4.431 1.00 0.00 C ATOM 1388 O SER A 88 26.481 16.986 5.512 1.00 0.00 O ATOM 1389 CB SER A 88 29.373 15.967 4.420 1.00 0.00 C ATOM 1390 OG SER A 88 29.734 17.322 4.213 1.00 0.00 O ATOM 0 H SER A 88 28.651 15.558 2.095 1.00 0.00 H new ATOM 0 HA SER A 88 27.540 14.860 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 88 29.536 15.699 5.464 1.00 0.00 H new ATOM 0 HB3 SER A 88 30.015 15.321 3.821 1.00 0.00 H new ATOM 0 HG SER A 88 29.495 17.589 3.301 1.00 0.00 H new ATOM 1396 N ARG A 89 27.016 17.919 3.535 1.00 0.00 N ATOM 1397 CA ARG A 89 26.249 19.135 3.777 1.00 0.00 C ATOM 1398 C ARG A 89 24.758 18.825 3.885 1.00 0.00 C ATOM 1399 O ARG A 89 24.096 19.234 4.839 1.00 0.00 O ATOM 1400 CB ARG A 89 26.490 20.148 2.656 1.00 0.00 C ATOM 1401 CG ARG A 89 27.737 20.993 2.856 1.00 0.00 C ATOM 1402 CD ARG A 89 28.296 21.484 1.530 1.00 0.00 C ATOM 1403 NE ARG A 89 27.548 22.625 1.010 1.00 0.00 N ATOM 1404 CZ ARG A 89 27.586 23.838 1.551 1.00 0.00 C ATOM 1405 NH1 ARG A 89 28.332 24.066 2.623 1.00 0.00 N ATOM 1406 NH2 ARG A 89 26.876 24.825 1.019 1.00 0.00 N ATOM 0 H ARG A 89 27.496 17.895 2.635 1.00 0.00 H new ATOM 0 HA ARG A 89 26.583 19.563 4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 89 26.570 19.616 1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 89 25.624 20.806 2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 89 27.501 21.847 3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 89 28.495 20.408 3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 89 29.341 21.764 1.659 1.00 0.00 H new ATOM 0 HD3 ARG A 89 28.271 20.672 0.803 1.00 0.00 H new ATOM 0 HE ARG A 89 26.964 22.483 0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 89 28.879 23.309 3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 89 28.359 24.998 3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 89 26.301 24.653 0.194 1.00 0.00 H new ATOM 0 HH22 ARG A 89 26.905 25.756 1.435 1.00 0.00 H new ATOM 1420 N VAL A 90 24.237 18.100 2.900 1.00 0.00 N ATOM 1421 CA VAL A 90 22.826 17.735 2.885 1.00 0.00 C ATOM 1422 C VAL A 90 22.512 16.708 3.967 1.00 0.00 C ATOM 1423 O VAL A 90 21.479 16.787 4.632 1.00 0.00 O ATOM 1424 CB VAL A 90 22.408 17.166 1.516 1.00 0.00 C ATOM 1425 CG1 VAL A 90 23.244 15.943 1.169 1.00 0.00 C ATOM 1426 CG2 VAL A 90 20.925 16.828 1.509 1.00 0.00 C ATOM 0 H VAL A 90 24.771 17.754 2.103 1.00 0.00 H new ATOM 0 HA VAL A 90 22.261 18.647 3.079 1.00 0.00 H new ATOM 0 HB VAL A 90 22.587 17.927 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 90 22.935 15.554 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 90 24.297 16.221 1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 90 23.100 15.176 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 90 20.648 16.427 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.718 16.085 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 90 20.345 17.729 1.709 1.00 0.00 H new ATOM 1436 N PHE A 91 23.410 15.744 4.139 1.00 0.00 N ATOM 1437 CA PHE A 91 23.229 14.700 5.141 1.00 0.00 C ATOM 1438 C PHE A 91 23.283 15.283 6.550 1.00 0.00 C ATOM 1439 O PHE A 91 22.562 14.843 7.445 1.00 0.00 O ATOM 1440 CB PHE A 91 24.301 13.620 4.982 1.00 0.00 C ATOM 1441 CG PHE A 91 24.080 12.422 5.861 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.574 12.396 7.155 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.379 11.323 5.393 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.373 11.296 7.967 1.00 0.00 C ATOM 1445 CE2 PHE A 91 23.174 10.220 6.200 1.00 0.00 C ATOM 1446 CZ PHE A 91 23.672 10.206 7.488 1.00 0.00 C ATOM 0 H PHE A 91 24.271 15.664 3.597 1.00 0.00 H new ATOM 0 HA PHE A 91 22.247 14.252 4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 91 24.328 13.297 3.941 1.00 0.00 H new ATOM 0 HB3 PHE A 91 25.276 14.051 5.208 1.00 0.00 H new ATOM 0 HD1 PHE A 91 25.123 13.246 7.534 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.988 11.328 4.386 1.00 0.00 H new ATOM 0 HE1 PHE A 91 24.763 11.288 8.974 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.625 9.370 5.824 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.514 9.344 8.120 1.00 0.00 H new ATOM 1456 N LYS A 92 24.145 16.277 6.739 1.00 0.00 N ATOM 1457 CA LYS A 92 24.295 16.923 8.038 1.00 0.00 C ATOM 1458 C LYS A 92 22.967 17.503 8.513 1.00 0.00 C ATOM 1459 O LYS A 92 22.558 17.292 9.655 1.00 0.00 O ATOM 1460 CB LYS A 92 25.349 18.029 7.962 1.00 0.00 C ATOM 1461 CG LYS A 92 25.479 18.835 9.243 1.00 0.00 C ATOM 1462 CD LYS A 92 26.689 19.753 9.204 1.00 0.00 C ATOM 1463 CE LYS A 92 26.593 20.847 10.256 1.00 0.00 C ATOM 1464 NZ LYS A 92 27.928 21.419 10.585 1.00 0.00 N ATOM 0 H LYS A 92 24.750 16.653 6.009 1.00 0.00 H new ATOM 0 HA LYS A 92 24.620 16.169 8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 92 26.315 17.583 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 92 25.098 18.703 7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 92 24.577 19.427 9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 92 25.562 18.158 10.093 1.00 0.00 H new ATOM 0 HD2 LYS A 92 27.595 19.169 9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 92 26.773 20.204 8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 92 25.937 21.640 9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 92 26.138 20.442 11.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 27.820 22.161 11.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 28.547 20.668 10.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 28.351 21.828 9.728 1.00 0.00 H new ATOM 1478 N LYS A 93 22.296 18.236 7.630 1.00 0.00 N ATOM 1479 CA LYS A 93 21.013 18.845 7.958 1.00 0.00 C ATOM 1480 C LYS A 93 19.898 17.804 7.947 1.00 0.00 C ATOM 1481 O LYS A 93 18.880 17.965 8.621 1.00 0.00 O ATOM 1482 CB LYS A 93 20.689 19.965 6.966 1.00 0.00 C ATOM 1483 CG LYS A 93 21.787 21.008 6.847 1.00 0.00 C ATOM 1484 CD LYS A 93 21.638 21.831 5.578 1.00 0.00 C ATOM 1485 CE LYS A 93 22.991 22.156 4.963 1.00 0.00 C ATOM 1486 NZ LYS A 93 22.978 23.465 4.254 1.00 0.00 N ATOM 0 H LYS A 93 22.620 18.422 6.681 1.00 0.00 H new ATOM 0 HA LYS A 93 21.084 19.265 8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 93 20.507 19.528 5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.765 20.455 7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.760 21.667 7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 93 22.760 20.516 6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.031 21.283 4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.108 22.756 5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.750 22.174 5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 93 23.271 21.367 4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 23.918 23.650 3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 22.271 23.440 3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.736 24.221 4.926 1.00 0.00 H new ATOM 1500 N CYS A 94 20.098 16.738 7.181 1.00 0.00 N ATOM 1501 CA CYS A 94 19.109 15.670 7.084 1.00 0.00 C ATOM 1502 C CYS A 94 18.811 15.079 8.458 1.00 0.00 C ATOM 1503 O CYS A 94 17.651 14.941 8.849 1.00 0.00 O ATOM 1504 CB CYS A 94 19.603 14.574 6.139 1.00 0.00 C ATOM 1505 SG CYS A 94 19.106 14.805 4.416 1.00 0.00 S ATOM 0 H CYS A 94 20.936 16.590 6.618 1.00 0.00 H new ATOM 0 HA CYS A 94 18.188 16.095 6.685 1.00 0.00 H new ATOM 0 HB2 CYS A 94 20.691 14.529 6.189 1.00 0.00 H new ATOM 0 HB3 CYS A 94 19.228 13.612 6.488 1.00 0.00 H new ATOM 0 HG CYS A 94 20.093 14.484 3.633 1.00 0.00 H new ATOM 1511 N THR A 95 19.866 14.729 9.187 1.00 0.00 N ATOM 1512 CA THR A 95 19.717 14.149 10.516 1.00 0.00 C ATOM 1513 C THR A 95 20.104 15.150 11.599 1.00 0.00 C ATOM 1514 O THR A 95 19.877 14.915 12.785 1.00 0.00 O ATOM 1515 CB THR A 95 20.577 12.881 10.675 1.00 0.00 C ATOM 1516 OG1 THR A 95 21.966 13.213 10.561 1.00 0.00 O ATOM 1517 CG2 THR A 95 20.211 11.843 9.625 1.00 0.00 C ATOM 0 H THR A 95 20.833 14.837 8.880 1.00 0.00 H new ATOM 0 HA THR A 95 18.666 13.883 10.629 1.00 0.00 H new ATOM 0 HB THR A 95 20.384 12.460 11.662 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.506 12.402 10.665 1.00 0.00 H new ATOM 0 HG21 THR A 95 20.832 10.957 9.758 1.00 0.00 H new ATOM 0 HG22 THR A 95 19.161 11.570 9.733 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.378 12.257 8.631 1.00 0.00 H new ATOM 1525 N GLY A 96 20.688 16.270 11.182 1.00 0.00 N ATOM 1526 CA GLY A 96 21.096 17.290 12.129 1.00 0.00 C ATOM 1527 C GLY A 96 22.557 17.170 12.518 1.00 0.00 C ATOM 1528 O GLY A 96 23.103 18.051 13.182 1.00 0.00 O ATOM 0 H GLY A 96 20.885 16.488 10.205 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.918 18.275 11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.478 17.218 13.024 1.00 0.00 H new ATOM 1532 N ALA A 97 23.189 16.077 12.105 1.00 0.00 N ATOM 1533 CA ALA A 97 24.595 15.845 12.414 1.00 0.00 C ATOM 1534 C ALA A 97 25.338 15.290 11.204 1.00 0.00 C ATOM 1535 O ALA A 97 24.759 14.585 10.377 1.00 0.00 O ATOM 1536 CB ALA A 97 24.726 14.897 13.597 1.00 0.00 C ATOM 0 H ALA A 97 22.750 15.338 11.556 1.00 0.00 H new ATOM 0 HA ALA A 97 25.046 16.801 12.678 1.00 0.00 H new ATOM 0 HB1 ALA A 97 25.781 14.733 13.817 1.00 0.00 H new ATOM 0 HB2 ALA A 97 24.238 15.333 14.468 1.00 0.00 H new ATOM 0 HB3 ALA A 97 24.253 13.945 13.355 1.00 0.00 H new ATOM 1542 N SER A 98 26.624 15.612 11.107 1.00 0.00 N ATOM 1543 CA SER A 98 27.446 15.148 9.995 1.00 0.00 C ATOM 1544 C SER A 98 27.594 13.630 10.024 1.00 0.00 C ATOM 1545 O SER A 98 27.350 12.977 11.039 1.00 0.00 O ATOM 1546 CB SER A 98 28.826 15.807 10.043 1.00 0.00 C ATOM 1547 OG SER A 98 29.115 16.290 11.344 1.00 0.00 O ATOM 0 H SER A 98 27.119 16.192 11.784 1.00 0.00 H new ATOM 0 HA SER A 98 26.949 15.429 9.067 1.00 0.00 H new ATOM 0 HB2 SER A 98 29.587 15.087 9.741 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.865 16.630 9.329 1.00 0.00 H new ATOM 0 HG SER A 98 30.003 16.705 11.349 1.00 0.00 H new ATOM 1553 N PRO A 99 28.003 13.054 8.884 1.00 0.00 N ATOM 1554 CA PRO A 99 28.194 11.607 8.753 1.00 0.00 C ATOM 1555 C PRO A 99 29.392 11.105 9.552 1.00 0.00 C ATOM 1556 O PRO A 99 29.390 9.979 10.050 1.00 0.00 O ATOM 1557 CB PRO A 99 28.433 11.415 7.253 1.00 0.00 C ATOM 1558 CG PRO A 99 28.974 12.722 6.786 1.00 0.00 C ATOM 1559 CD PRO A 99 28.313 13.772 7.636 1.00 0.00 C ATOM 0 HA PRO A 99 27.342 11.047 9.138 1.00 0.00 H new ATOM 0 HB2 PRO A 99 29.137 10.605 7.065 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.509 11.161 6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 99 30.058 12.757 6.895 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.755 12.880 5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.974 14.620 7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 99 27.412 14.164 7.163 1.00 0.00 H new ATOM 1567 N SER A 100 30.413 11.947 9.670 1.00 0.00 N ATOM 1568 CA SER A 100 31.620 11.587 10.406 1.00 0.00 C ATOM 1569 C SER A 100 31.326 11.450 11.897 1.00 0.00 C ATOM 1570 O SER A 100 31.918 10.618 12.583 1.00 0.00 O ATOM 1571 CB SER A 100 32.710 12.637 10.184 1.00 0.00 C ATOM 1572 OG SER A 100 33.725 12.534 11.168 1.00 0.00 O ATOM 0 H SER A 100 30.429 12.883 9.266 1.00 0.00 H new ATOM 0 HA SER A 100 31.971 10.625 10.032 1.00 0.00 H new ATOM 0 HB2 SER A 100 33.146 12.510 9.193 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.270 13.634 10.213 1.00 0.00 H new ATOM 0 HG SER A 100 34.411 13.215 11.003 1.00 0.00 H new ATOM 1578 N GLU A 101 30.406 12.274 12.391 1.00 0.00 N ATOM 1579 CA GLU A 101 30.034 12.245 13.800 1.00 0.00 C ATOM 1580 C GLU A 101 29.165 11.029 14.109 1.00 0.00 C ATOM 1581 O GLU A 101 29.407 10.310 15.079 1.00 0.00 O ATOM 1582 CB GLU A 101 29.290 13.527 14.180 1.00 0.00 C ATOM 1583 CG GLU A 101 29.075 13.685 15.676 1.00 0.00 C ATOM 1584 CD GLU A 101 30.083 14.622 16.314 1.00 0.00 C ATOM 1585 OE1 GLU A 101 31.214 14.721 15.794 1.00 0.00 O ATOM 1586 OE2 GLU A 101 29.739 15.256 17.334 1.00 0.00 O ATOM 0 H GLU A 101 29.906 12.969 11.836 1.00 0.00 H new ATOM 0 HA GLU A 101 30.948 12.175 14.389 1.00 0.00 H new ATOM 0 HB2 GLU A 101 29.850 14.386 13.809 1.00 0.00 H new ATOM 0 HB3 GLU A 101 28.322 13.537 13.679 1.00 0.00 H new ATOM 0 HG2 GLU A 101 28.068 14.062 15.857 1.00 0.00 H new ATOM 0 HG3 GLU A 101 29.140 12.708 16.154 1.00 0.00 H new ATOM 1593 N PHE A 102 28.153 10.806 13.278 1.00 0.00 N ATOM 1594 CA PHE A 102 27.246 9.679 13.462 1.00 0.00 C ATOM 1595 C PHE A 102 27.999 8.355 13.368 1.00 0.00 C ATOM 1596 O PHE A 102 27.802 7.457 14.187 1.00 0.00 O ATOM 1597 CB PHE A 102 26.130 9.719 12.416 1.00 0.00 C ATOM 1598 CG PHE A 102 24.854 9.074 12.877 1.00 0.00 C ATOM 1599 CD1 PHE A 102 24.711 7.696 12.852 1.00 0.00 C ATOM 1600 CD2 PHE A 102 23.798 9.845 13.336 1.00 0.00 C ATOM 1601 CE1 PHE A 102 23.538 7.099 13.274 1.00 0.00 C ATOM 1602 CE2 PHE A 102 22.623 9.254 13.760 1.00 0.00 C ATOM 1603 CZ PHE A 102 22.493 7.879 13.730 1.00 0.00 C ATOM 0 H PHE A 102 27.940 11.391 12.470 1.00 0.00 H new ATOM 0 HA PHE A 102 26.806 9.757 14.456 1.00 0.00 H new ATOM 0 HB2 PHE A 102 25.928 10.757 12.151 1.00 0.00 H new ATOM 0 HB3 PHE A 102 26.474 9.220 11.510 1.00 0.00 H new ATOM 0 HD1 PHE A 102 25.526 7.081 12.499 1.00 0.00 H new ATOM 0 HD2 PHE A 102 23.894 10.920 13.363 1.00 0.00 H new ATOM 0 HE1 PHE A 102 23.439 6.024 13.247 1.00 0.00 H new ATOM 0 HE2 PHE A 102 21.807 9.866 14.114 1.00 0.00 H new ATOM 0 HZ PHE A 102 21.576 7.415 14.062 1.00 0.00 H new ATOM 1613 N ARG A 103 28.861 8.241 12.363 1.00 0.00 N ATOM 1614 CA ARG A 103 29.642 7.027 12.159 1.00 0.00 C ATOM 1615 C ARG A 103 30.663 6.844 13.279 1.00 0.00 C ATOM 1616 O ARG A 103 30.989 5.719 13.656 1.00 0.00 O ATOM 1617 CB ARG A 103 30.355 7.074 10.807 1.00 0.00 C ATOM 1618 CG ARG A 103 31.544 8.021 10.777 1.00 0.00 C ATOM 1619 CD ARG A 103 32.161 8.098 9.389 1.00 0.00 C ATOM 1620 NE ARG A 103 33.490 8.702 9.414 1.00 0.00 N ATOM 1621 CZ ARG A 103 34.375 8.571 8.432 1.00 0.00 C ATOM 1622 NH1 ARG A 103 34.073 7.862 7.353 1.00 0.00 N ATOM 1623 NH2 ARG A 103 35.565 9.150 8.528 1.00 0.00 N ATOM 0 H ARG A 103 29.036 8.975 11.677 1.00 0.00 H new ATOM 0 HA ARG A 103 28.958 6.178 12.171 1.00 0.00 H new ATOM 0 HB2 ARG A 103 30.694 6.071 10.550 1.00 0.00 H new ATOM 0 HB3 ARG A 103 29.642 7.376 10.040 1.00 0.00 H new ATOM 0 HG2 ARG A 103 31.226 9.015 11.091 1.00 0.00 H new ATOM 0 HG3 ARG A 103 32.295 7.686 11.492 1.00 0.00 H new ATOM 0 HD2 ARG A 103 32.226 7.096 8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 103 31.511 8.679 8.735 1.00 0.00 H new ATOM 0 HE ARG A 103 33.753 9.255 10.230 1.00 0.00 H new ATOM 0 HH11 ARG A 103 33.159 7.416 7.275 1.00 0.00 H new ATOM 0 HH12 ARG A 103 34.754 7.763 6.601 1.00 0.00 H new ATOM 0 HH21 ARG A 103 35.801 9.696 9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 103 36.244 9.049 7.773 1.00 0.00 H new ATOM 1637 N ALA A 104 31.164 7.957 13.804 1.00 0.00 N ATOM 1638 CA ALA A 104 32.147 7.919 14.880 1.00 0.00 C ATOM 1639 C ALA A 104 31.571 7.254 16.125 1.00 0.00 C ATOM 1640 O ALA A 104 32.275 6.546 16.844 1.00 0.00 O ATOM 1641 CB ALA A 104 32.628 9.326 15.204 1.00 0.00 C ATOM 0 H ALA A 104 30.905 8.896 13.502 1.00 0.00 H new ATOM 0 HA ALA A 104 32.997 7.325 14.543 1.00 0.00 H new ATOM 0 HB1 ALA A 104 33.362 9.283 16.009 1.00 0.00 H new ATOM 0 HB2 ALA A 104 33.086 9.767 14.319 1.00 0.00 H new ATOM 0 HB3 ALA A 104 31.781 9.937 15.517 1.00 0.00 H new ATOM 1647 N GLY A 105 30.287 7.488 16.376 1.00 0.00 N ATOM 1648 CA GLY A 105 29.639 6.905 17.536 1.00 0.00 C ATOM 1649 C GLY A 105 29.800 7.757 18.780 1.00 0.00 C ATOM 1650 O GLY A 105 29.174 7.493 19.807 1.00 0.00 O ATOM 0 H GLY A 105 29.684 8.071 15.796 1.00 0.00 H new ATOM 0 HA2 GLY A 105 28.578 6.771 17.326 1.00 0.00 H new ATOM 0 HA3 GLY A 105 30.055 5.915 17.721 1.00 0.00 H new ATOM 1654 N CYS A 106 30.642 8.780 18.688 1.00 0.00 N ATOM 1655 CA CYS A 106 30.886 9.673 19.816 1.00 0.00 C ATOM 1656 C CYS A 106 29.666 10.546 20.092 1.00 0.00 C ATOM 1657 O CYS A 106 29.030 11.050 19.167 1.00 0.00 O ATOM 1658 CB CYS A 106 32.107 10.552 19.542 1.00 0.00 C ATOM 1659 SG CYS A 106 31.891 11.706 18.167 1.00 0.00 S ATOM 0 H CYS A 106 31.167 9.012 17.845 1.00 0.00 H new ATOM 0 HA CYS A 106 31.079 9.061 20.697 1.00 0.00 H new ATOM 0 HB2 CYS A 106 32.344 11.117 20.443 1.00 0.00 H new ATOM 0 HB3 CYS A 106 32.964 9.911 19.333 1.00 0.00 H new ATOM 0 HG CYS A 106 30.624 11.931 17.985 1.00 0.00 H new