USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 683 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 64 ASN : amide:sc= 0.0706 X(o=-0.22,f=-0.43) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.293 K(o=-0.22,f=-3.9!) USER MOD Set 2.1: A 28 THR OG1 : rot 176:sc= 0.0683 USER MOD Set 2.2: A 40 SER OG : rot 117:sc= 0.0676 USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= 0.595 (180deg=0.406) USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= -0.0973 (180deg=-0.459) USER MOD Single : A 20 HIS : no HD1:sc= -2.74 X(o=-2.7,f=-2.4) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.09 X(o=-0.09,f=-0.32) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 46 GLN : amide:sc= -0.907 K(o=-0.91,f=0.19) USER MOD Single : A 51 CYS SG : rot -105:sc= 0.117 USER MOD Single : A 55 HIS : no HD1:sc= -4.6 K(o=-4.6,f=-5.4!) USER MOD Single : A 67 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 71 THR OG1 : rot -32:sc= 0.635 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HE2:sc= -0.488 X(o=-0.49,f=-0.22) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= -0.0627 (180deg=-0.322) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.135 K(o=-0.13,f=-1.4) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -16.853 -1.704 2.002 1.00 0.00 N ATOM 2 CA PRO A 9 -16.358 -0.512 1.256 1.00 0.00 C ATOM 3 C PRO A 9 -14.910 -0.693 0.785 1.00 0.00 C ATOM 4 O PRO A 9 -14.012 0.045 1.198 1.00 0.00 O ATOM 5 CB PRO A 9 -16.476 0.693 2.190 1.00 0.00 C ATOM 6 CG PRO A 9 -17.152 0.155 3.408 1.00 0.00 C ATOM 7 CD PRO A 9 -16.884 -1.331 3.426 1.00 0.00 C ATOM 0 HA PRO A 9 -16.957 -0.367 0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.497 1.107 2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.058 1.494 1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.764 0.630 4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.223 0.356 3.378 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.940 -1.560 3.919 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.664 -1.871 3.963 1.00 0.00 H new ATOM 17 N ILE A 10 -14.694 -1.679 -0.085 1.00 0.00 N ATOM 18 CA ILE A 10 -13.364 -1.956 -0.617 1.00 0.00 C ATOM 19 C ILE A 10 -13.075 -1.090 -1.838 1.00 0.00 C ATOM 20 O ILE A 10 -13.957 -0.856 -2.667 1.00 0.00 O ATOM 21 CB ILE A 10 -13.203 -3.445 -1.002 1.00 0.00 C ATOM 22 CG1 ILE A 10 -13.473 -4.340 0.209 1.00 0.00 C ATOM 23 CG2 ILE A 10 -11.808 -3.707 -1.558 1.00 0.00 C ATOM 24 CD1 ILE A 10 -14.886 -4.881 0.260 1.00 0.00 C ATOM 0 H ILE A 10 -15.425 -2.299 -0.435 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.651 -1.720 0.173 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.931 -3.681 -1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.773 -5.176 0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.277 -3.774 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.714 -4.760 -1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.649 -3.094 -2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.062 -3.455 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -15.004 -5.507 1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.592 -4.052 0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -15.081 -5.475 -0.633 1.00 0.00 H new ATOM 36 N ARG A 11 -11.835 -0.618 -1.942 1.00 0.00 N ATOM 37 CA ARG A 11 -11.424 0.223 -3.061 1.00 0.00 C ATOM 38 C ARG A 11 -10.269 -0.418 -3.829 1.00 0.00 C ATOM 39 O ARG A 11 -9.212 -0.699 -3.261 1.00 0.00 O ATOM 40 CB ARG A 11 -11.021 1.616 -2.565 1.00 0.00 C ATOM 41 CG ARG A 11 -11.968 2.717 -3.016 1.00 0.00 C ATOM 42 CD ARG A 11 -12.815 3.233 -1.863 1.00 0.00 C ATOM 43 NE ARG A 11 -13.905 4.093 -2.324 1.00 0.00 N ATOM 44 CZ ARG A 11 -14.564 4.954 -1.543 1.00 0.00 C ATOM 45 NH1 ARG A 11 -14.256 5.070 -0.253 1.00 0.00 N ATOM 46 NH2 ARG A 11 -15.536 5.701 -2.055 1.00 0.00 N ATOM 0 H ARG A 11 -11.097 -0.805 -1.263 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.272 0.323 -3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.979 1.607 -1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.016 1.843 -2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.394 3.539 -3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.618 2.338 -3.805 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.228 2.389 -1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.183 3.789 -1.170 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.180 4.031 -3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.511 4.499 0.147 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.765 5.730 0.335 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.778 5.617 -3.042 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.040 6.359 -1.461 1.00 0.00 H new ATOM 60 N LYS A 12 -10.483 -0.646 -5.125 1.00 0.00 N ATOM 61 CA LYS A 12 -9.465 -1.252 -5.981 1.00 0.00 C ATOM 62 C LYS A 12 -8.744 -0.186 -6.803 1.00 0.00 C ATOM 63 O LYS A 12 -9.345 0.450 -7.672 1.00 0.00 O ATOM 64 CB LYS A 12 -10.099 -2.288 -6.920 1.00 0.00 C ATOM 65 CG LYS A 12 -10.863 -3.391 -6.201 1.00 0.00 C ATOM 66 CD LYS A 12 -9.935 -4.272 -5.379 1.00 0.00 C ATOM 67 CE LYS A 12 -9.597 -5.565 -6.107 1.00 0.00 C ATOM 68 NZ LYS A 12 -10.500 -6.681 -5.711 1.00 0.00 N ATOM 0 H LYS A 12 -11.354 -0.419 -5.605 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.739 -1.751 -5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.777 -1.777 -7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.315 -2.740 -7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.616 -2.947 -5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.393 -4.002 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.017 -3.728 -5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.405 -4.504 -4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.669 -5.405 -7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.564 -5.841 -5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.450 -7.438 -6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.205 -7.055 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.477 -6.331 -5.647 1.00 0.00 H new ATOM 82 N VAL A 13 -7.455 0.005 -6.524 1.00 0.00 N ATOM 83 CA VAL A 13 -6.653 0.998 -7.239 1.00 0.00 C ATOM 84 C VAL A 13 -5.363 0.385 -7.789 1.00 0.00 C ATOM 85 O VAL A 13 -4.723 -0.435 -7.127 1.00 0.00 O ATOM 86 CB VAL A 13 -6.296 2.201 -6.339 1.00 0.00 C ATOM 87 CG1 VAL A 13 -7.521 3.075 -6.105 1.00 0.00 C ATOM 88 CG2 VAL A 13 -5.704 1.732 -5.017 1.00 0.00 C ATOM 0 H VAL A 13 -6.944 -0.514 -5.809 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.266 1.348 -8.069 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.542 2.799 -6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.251 3.918 -5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.891 3.446 -7.061 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.299 2.488 -5.618 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.460 2.597 -4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.429 1.107 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.798 1.156 -5.208 1.00 0.00 H new ATOM 98 N LEU A 14 -4.991 0.792 -9.003 1.00 0.00 N ATOM 99 CA LEU A 14 -3.779 0.289 -9.649 1.00 0.00 C ATOM 100 C LEU A 14 -2.689 1.360 -9.672 1.00 0.00 C ATOM 101 O LEU A 14 -2.918 2.480 -10.133 1.00 0.00 O ATOM 102 CB LEU A 14 -4.089 -0.173 -11.076 1.00 0.00 C ATOM 103 CG LEU A 14 -5.112 -1.307 -11.185 1.00 0.00 C ATOM 104 CD1 LEU A 14 -6.521 -0.749 -11.345 1.00 0.00 C ATOM 105 CD2 LEU A 14 -4.765 -2.225 -12.347 1.00 0.00 C ATOM 0 H LEU A 14 -5.513 1.470 -9.559 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.415 -0.561 -9.071 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.455 0.681 -11.646 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.160 -0.496 -11.546 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.079 -1.888 -10.264 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.232 -1.572 -11.421 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.769 -0.134 -10.480 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.571 -0.142 -12.249 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.502 -3.026 -12.411 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.768 -1.654 -13.275 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.776 -2.654 -12.189 1.00 0.00 H new ATOM 117 N LEU A 15 -1.505 1.008 -9.170 1.00 0.00 N ATOM 118 CA LEU A 15 -0.377 1.935 -9.125 1.00 0.00 C ATOM 119 C LEU A 15 0.746 1.481 -10.058 1.00 0.00 C ATOM 120 O LEU A 15 1.077 0.295 -10.116 1.00 0.00 O ATOM 121 CB LEU A 15 0.155 2.052 -7.692 1.00 0.00 C ATOM 122 CG LEU A 15 -0.671 2.941 -6.756 1.00 0.00 C ATOM 123 CD1 LEU A 15 -2.082 2.390 -6.596 1.00 0.00 C ATOM 124 CD2 LEU A 15 0.012 3.064 -5.400 1.00 0.00 C ATOM 0 H LEU A 15 -1.303 0.084 -8.788 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.730 2.910 -9.460 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.212 1.053 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.173 2.441 -7.731 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.741 3.934 -7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.651 3.036 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.571 2.354 -7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.035 1.385 -6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.587 3.698 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.113 2.075 -4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.000 3.506 -5.529 1.00 0.00 H new ATOM 136 N LEU A 16 1.328 2.434 -10.785 1.00 0.00 N ATOM 137 CA LEU A 16 2.417 2.137 -11.713 1.00 0.00 C ATOM 138 C LEU A 16 3.760 2.579 -11.133 1.00 0.00 C ATOM 139 O LEU A 16 3.998 3.771 -10.936 1.00 0.00 O ATOM 140 CB LEU A 16 2.175 2.832 -13.058 1.00 0.00 C ATOM 141 CG LEU A 16 2.480 1.979 -14.293 1.00 0.00 C ATOM 142 CD1 LEU A 16 1.305 1.068 -14.617 1.00 0.00 C ATOM 143 CD2 LEU A 16 2.817 2.866 -15.484 1.00 0.00 C ATOM 0 H LEU A 16 1.063 3.418 -10.749 1.00 0.00 H new ATOM 0 HA LEU A 16 2.445 1.059 -11.870 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.133 3.150 -13.103 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.786 3.734 -13.099 1.00 0.00 H new ATOM 0 HG LEU A 16 3.346 1.354 -14.075 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.540 0.470 -15.497 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.112 0.408 -13.771 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.420 1.672 -14.815 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.031 2.243 -16.353 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.971 3.517 -15.704 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.691 3.474 -15.249 1.00 0.00 H new ATOM 155 N LYS A 17 4.635 1.610 -10.863 1.00 0.00 N ATOM 156 CA LYS A 17 5.954 1.901 -10.307 1.00 0.00 C ATOM 157 C LYS A 17 7.023 1.884 -11.397 1.00 0.00 C ATOM 158 O LYS A 17 7.062 0.974 -12.227 1.00 0.00 O ATOM 159 CB LYS A 17 6.310 0.892 -9.213 1.00 0.00 C ATOM 160 CG LYS A 17 7.401 1.377 -8.268 1.00 0.00 C ATOM 161 CD LYS A 17 7.793 0.302 -7.266 1.00 0.00 C ATOM 162 CE LYS A 17 8.765 -0.703 -7.870 1.00 0.00 C ATOM 163 NZ LYS A 17 10.070 -0.076 -8.228 1.00 0.00 N ATOM 0 H LYS A 17 4.453 0.619 -11.020 1.00 0.00 H new ATOM 0 HA LYS A 17 5.920 2.899 -9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.415 0.665 -8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.633 -0.039 -9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.277 1.674 -8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.054 2.263 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.248 0.768 -6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.899 -0.218 -6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.935 -1.513 -7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.320 -1.147 -8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.806 -0.809 -8.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.988 0.394 -9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.328 0.626 -7.505 1.00 0.00 H new ATOM 177 N GLU A 18 7.889 2.895 -11.383 1.00 0.00 N ATOM 178 CA GLU A 18 8.966 3.005 -12.364 1.00 0.00 C ATOM 179 C GLU A 18 10.329 2.903 -11.688 1.00 0.00 C ATOM 180 O GLU A 18 10.482 3.277 -10.525 1.00 0.00 O ATOM 181 CB GLU A 18 8.871 4.334 -13.118 1.00 0.00 C ATOM 182 CG GLU A 18 7.489 4.631 -13.677 1.00 0.00 C ATOM 183 CD GLU A 18 7.279 4.047 -15.060 1.00 0.00 C ATOM 184 OE1 GLU A 18 8.110 4.320 -15.953 1.00 0.00 O ATOM 185 OE2 GLU A 18 6.284 3.317 -15.250 1.00 0.00 O ATOM 0 H GLU A 18 7.865 3.652 -10.700 1.00 0.00 H new ATOM 0 HA GLU A 18 8.859 2.181 -13.070 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.161 5.142 -12.447 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.589 4.327 -13.938 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.734 4.231 -13.000 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.342 5.710 -13.717 1.00 0.00 H new ATOM 192 N ASP A 19 11.321 2.410 -12.430 1.00 0.00 N ATOM 193 CA ASP A 19 12.680 2.276 -11.903 1.00 0.00 C ATOM 194 C ASP A 19 13.234 3.641 -11.486 1.00 0.00 C ATOM 195 O ASP A 19 13.997 3.743 -10.524 1.00 0.00 O ATOM 196 CB ASP A 19 13.599 1.636 -12.950 1.00 0.00 C ATOM 197 CG ASP A 19 13.655 0.121 -12.843 1.00 0.00 C ATOM 198 OD1 ASP A 19 12.605 -0.500 -12.573 1.00 0.00 O ATOM 199 OD2 ASP A 19 14.752 -0.446 -13.036 1.00 0.00 O ATOM 0 H ASP A 19 11.210 2.098 -13.395 1.00 0.00 H new ATOM 0 HA ASP A 19 12.643 1.631 -11.025 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.253 1.912 -13.946 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.605 2.040 -12.838 1.00 0.00 H new ATOM 204 N HIS A 20 12.844 4.684 -12.219 1.00 0.00 N ATOM 205 CA HIS A 20 13.297 6.043 -11.931 1.00 0.00 C ATOM 206 C HIS A 20 12.481 6.688 -10.805 1.00 0.00 C ATOM 207 O HIS A 20 12.980 7.563 -10.097 1.00 0.00 O ATOM 208 CB HIS A 20 13.231 6.908 -13.197 1.00 0.00 C ATOM 209 CG HIS A 20 11.844 7.103 -13.735 1.00 0.00 C ATOM 210 ND1 HIS A 20 11.111 8.251 -13.522 1.00 0.00 N ATOM 211 CD2 HIS A 20 11.059 6.293 -14.486 1.00 0.00 C ATOM 212 CE1 HIS A 20 9.936 8.137 -14.116 1.00 0.00 C ATOM 213 NE2 HIS A 20 9.879 6.958 -14.709 1.00 0.00 N ATOM 0 H HIS A 20 12.214 4.612 -13.018 1.00 0.00 H new ATOM 0 HA HIS A 20 14.332 5.979 -11.595 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.665 7.884 -12.980 1.00 0.00 H new ATOM 0 HB3 HIS A 20 13.848 6.449 -13.970 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.315 5.306 -14.843 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.154 8.882 -14.117 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.088 6.600 -15.245 1.00 0.00 H new ATOM 222 N GLU A 21 11.226 6.258 -10.643 1.00 0.00 N ATOM 223 CA GLU A 21 10.355 6.805 -9.602 1.00 0.00 C ATOM 224 C GLU A 21 10.358 5.926 -8.352 1.00 0.00 C ATOM 225 O GLU A 21 10.831 4.787 -8.380 1.00 0.00 O ATOM 226 CB GLU A 21 8.924 6.959 -10.129 1.00 0.00 C ATOM 227 CG GLU A 21 8.714 8.225 -10.950 1.00 0.00 C ATOM 228 CD GLU A 21 8.453 9.456 -10.097 1.00 0.00 C ATOM 229 OE1 GLU A 21 8.845 9.459 -8.910 1.00 0.00 O ATOM 230 OE2 GLU A 21 7.857 10.420 -10.621 1.00 0.00 O ATOM 0 H GLU A 21 10.793 5.535 -11.218 1.00 0.00 H new ATOM 0 HA GLU A 21 10.744 7.786 -9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.675 6.092 -10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.233 6.963 -9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.595 8.399 -11.568 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.873 8.076 -11.628 1.00 0.00 H new ATOM 237 N GLY A 22 9.827 6.468 -7.254 1.00 0.00 N ATOM 238 CA GLY A 22 9.774 5.730 -6.003 1.00 0.00 C ATOM 239 C GLY A 22 8.378 5.232 -5.676 1.00 0.00 C ATOM 240 O GLY A 22 7.581 4.963 -6.577 1.00 0.00 O ATOM 0 H GLY A 22 9.432 7.408 -7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.455 4.881 -6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.126 6.369 -5.193 1.00 0.00 H new ATOM 244 N LEU A 23 8.083 5.108 -4.381 1.00 0.00 N ATOM 245 CA LEU A 23 6.774 4.638 -3.930 1.00 0.00 C ATOM 246 C LEU A 23 5.734 5.755 -4.012 1.00 0.00 C ATOM 247 O LEU A 23 4.723 5.624 -4.706 1.00 0.00 O ATOM 248 CB LEU A 23 6.865 4.102 -2.496 1.00 0.00 C ATOM 249 CG LEU A 23 5.856 3.004 -2.149 1.00 0.00 C ATOM 250 CD1 LEU A 23 6.261 1.682 -2.787 1.00 0.00 C ATOM 251 CD2 LEU A 23 5.729 2.852 -0.640 1.00 0.00 C ATOM 0 H LEU A 23 8.734 5.327 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 23 6.459 3.829 -4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.871 3.715 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.727 4.933 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 23 4.884 3.294 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.531 0.915 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.298 1.797 -3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.244 1.387 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.008 2.067 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.698 2.587 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.390 3.793 -0.207 1.00 0.00 H new ATOM 263 N GLY A 24 5.991 6.855 -3.302 1.00 0.00 N ATOM 264 CA GLY A 24 5.073 7.984 -3.306 1.00 0.00 C ATOM 265 C GLY A 24 3.992 7.898 -2.235 1.00 0.00 C ATOM 266 O GLY A 24 3.108 8.753 -2.182 1.00 0.00 O ATOM 0 H GLY A 24 6.821 6.983 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.641 8.903 -3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.598 8.051 -4.285 1.00 0.00 H new ATOM 270 N ILE A 25 4.059 6.875 -1.379 1.00 0.00 N ATOM 271 CA ILE A 25 3.074 6.701 -0.311 1.00 0.00 C ATOM 272 C ILE A 25 3.738 6.223 0.977 1.00 0.00 C ATOM 273 O ILE A 25 4.681 5.430 0.939 1.00 0.00 O ATOM 274 CB ILE A 25 1.969 5.695 -0.708 1.00 0.00 C ATOM 275 CG1 ILE A 25 2.589 4.392 -1.222 1.00 0.00 C ATOM 276 CG2 ILE A 25 1.045 6.299 -1.756 1.00 0.00 C ATOM 277 CD1 ILE A 25 1.577 3.294 -1.471 1.00 0.00 C ATOM 0 H ILE A 25 4.783 6.157 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 25 2.619 7.678 -0.146 1.00 0.00 H new ATOM 0 HB ILE A 25 1.377 5.468 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.126 4.596 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.324 4.039 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.274 5.575 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.576 7.197 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.622 6.558 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.089 2.403 -1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.057 3.061 -0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.856 3.627 -2.217 1.00 0.00 H new ATOM 289 N SER A 26 3.239 6.707 2.114 1.00 0.00 N ATOM 290 CA SER A 26 3.779 6.328 3.416 1.00 0.00 C ATOM 291 C SER A 26 2.770 5.490 4.199 1.00 0.00 C ATOM 292 O SER A 26 1.577 5.802 4.222 1.00 0.00 O ATOM 293 CB SER A 26 4.159 7.576 4.215 1.00 0.00 C ATOM 294 OG SER A 26 5.235 7.309 5.099 1.00 0.00 O ATOM 0 H SER A 26 2.460 7.364 2.158 1.00 0.00 H new ATOM 0 HA SER A 26 4.673 5.726 3.253 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.437 8.378 3.532 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.296 7.925 4.782 1.00 0.00 H new ATOM 0 HG SER A 26 5.459 8.123 5.596 1.00 0.00 H new ATOM 300 N ILE A 27 3.257 4.424 4.835 1.00 0.00 N ATOM 301 CA ILE A 27 2.399 3.533 5.614 1.00 0.00 C ATOM 302 C ILE A 27 2.905 3.376 7.047 1.00 0.00 C ATOM 303 O ILE A 27 4.098 3.533 7.317 1.00 0.00 O ATOM 304 CB ILE A 27 2.293 2.138 4.958 1.00 0.00 C ATOM 305 CG1 ILE A 27 3.686 1.543 4.720 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.519 2.224 3.649 1.00 0.00 C ATOM 307 CD1 ILE A 27 3.666 0.064 4.401 1.00 0.00 C ATOM 0 H ILE A 27 4.241 4.157 4.826 1.00 0.00 H new ATOM 0 HA ILE A 27 1.411 3.993 5.637 1.00 0.00 H new ATOM 0 HB ILE A 27 1.753 1.480 5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.165 2.077 3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.298 1.707 5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.453 1.233 3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.515 2.601 3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.034 2.899 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.686 -0.288 4.245 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.217 -0.481 5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.081 -0.105 3.497 1.00 0.00 H new ATOM 319 N THR A 28 1.986 3.067 7.964 1.00 0.00 N ATOM 320 CA THR A 28 2.332 2.892 9.373 1.00 0.00 C ATOM 321 C THR A 28 1.584 1.704 9.984 1.00 0.00 C ATOM 322 O THR A 28 0.435 1.435 9.628 1.00 0.00 O ATOM 323 CB THR A 28 2.013 4.171 10.160 1.00 0.00 C ATOM 324 OG1 THR A 28 0.614 4.311 10.356 1.00 0.00 O ATOM 325 CG2 THR A 28 2.508 5.433 9.483 1.00 0.00 C ATOM 0 H THR A 28 0.997 2.933 7.755 1.00 0.00 H new ATOM 0 HA THR A 28 3.401 2.689 9.433 1.00 0.00 H new ATOM 0 HB THR A 28 2.535 4.057 11.110 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.439 5.097 10.915 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.249 6.299 10.093 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.591 5.382 9.366 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.041 5.527 8.503 1.00 0.00 H new ATOM 333 N GLY A 29 2.244 1.003 10.909 1.00 0.00 N ATOM 334 CA GLY A 29 1.630 -0.144 11.564 1.00 0.00 C ATOM 335 C GLY A 29 2.433 -1.422 11.383 1.00 0.00 C ATOM 336 O GLY A 29 3.642 -1.373 11.150 1.00 0.00 O ATOM 0 H GLY A 29 3.194 1.210 11.216 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.523 0.065 12.628 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.626 -0.291 11.165 1.00 0.00 H new ATOM 340 N GLY A 30 1.755 -2.567 11.490 1.00 0.00 N ATOM 341 CA GLY A 30 2.421 -3.850 11.331 1.00 0.00 C ATOM 342 C GLY A 30 1.796 -4.938 12.184 1.00 0.00 C ATOM 343 O GLY A 30 1.663 -4.780 13.398 1.00 0.00 O ATOM 0 H GLY A 30 0.755 -2.627 11.684 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.384 -4.148 10.283 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.473 -3.745 11.595 1.00 0.00 H new ATOM 347 N LYS A 31 1.419 -6.048 11.546 1.00 0.00 N ATOM 348 CA LYS A 31 0.809 -7.177 12.251 1.00 0.00 C ATOM 349 C LYS A 31 1.694 -7.649 13.407 1.00 0.00 C ATOM 350 O LYS A 31 1.188 -8.053 14.454 1.00 0.00 O ATOM 351 CB LYS A 31 0.552 -8.335 11.277 1.00 0.00 C ATOM 352 CG LYS A 31 -0.283 -9.468 11.861 1.00 0.00 C ATOM 353 CD LYS A 31 -1.700 -9.017 12.179 1.00 0.00 C ATOM 354 CE LYS A 31 -2.468 -10.093 12.933 1.00 0.00 C ATOM 355 NZ LYS A 31 -3.933 -9.822 12.955 1.00 0.00 N ATOM 0 H LYS A 31 1.526 -6.189 10.541 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.142 -6.842 12.666 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.048 -7.946 10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.510 -8.737 10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.315 -10.298 11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.193 -9.840 12.768 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.668 -8.105 12.775 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.223 -8.775 11.254 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.286 -11.062 12.468 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.095 -10.155 13.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.418 -10.579 13.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.110 -8.910 13.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.294 -9.788 11.980 1.00 0.00 H new ATOM 369 N GLU A 32 3.014 -7.589 13.212 1.00 0.00 N ATOM 370 CA GLU A 32 3.964 -8.004 14.243 1.00 0.00 C ATOM 371 C GLU A 32 3.842 -7.130 15.491 1.00 0.00 C ATOM 372 O GLU A 32 4.085 -7.594 16.606 1.00 0.00 O ATOM 373 CB GLU A 32 5.395 -7.951 13.703 1.00 0.00 C ATOM 374 CG GLU A 32 6.204 -9.195 14.022 1.00 0.00 C ATOM 375 CD GLU A 32 6.815 -9.147 15.407 1.00 0.00 C ATOM 376 OE1 GLU A 32 7.886 -8.525 15.563 1.00 0.00 O ATOM 377 OE2 GLU A 32 6.223 -9.733 16.335 1.00 0.00 O ATOM 0 H GLU A 32 3.447 -7.257 12.350 1.00 0.00 H new ATOM 0 HA GLU A 32 3.727 -9.031 14.522 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.363 -7.814 12.622 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.901 -7.080 14.120 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.563 -10.073 13.941 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.996 -9.310 13.282 1.00 0.00 H new ATOM 384 N HIS A 33 3.461 -5.868 15.295 1.00 0.00 N ATOM 385 CA HIS A 33 3.296 -4.933 16.404 1.00 0.00 C ATOM 386 C HIS A 33 1.961 -5.156 17.119 1.00 0.00 C ATOM 387 O HIS A 33 1.869 -4.990 18.336 1.00 0.00 O ATOM 388 CB HIS A 33 3.375 -3.492 15.895 1.00 0.00 C ATOM 389 CG HIS A 33 4.771 -2.985 15.707 1.00 0.00 C ATOM 390 ND1 HIS A 33 5.819 -3.309 16.545 1.00 0.00 N ATOM 391 CD2 HIS A 33 5.285 -2.152 14.772 1.00 0.00 C ATOM 392 CE1 HIS A 33 6.914 -2.694 16.134 1.00 0.00 C ATOM 393 NE2 HIS A 33 6.616 -1.987 15.059 1.00 0.00 N ATOM 0 H HIS A 33 3.261 -5.471 14.377 1.00 0.00 H new ATOM 0 HA HIS A 33 4.102 -5.110 17.116 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.844 -3.424 14.945 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.855 -2.841 16.598 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.747 -1.701 13.952 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.887 -2.759 16.598 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.270 -1.411 14.528 1.00 0.00 H new ATOM 402 N GLY A 34 0.930 -5.528 16.356 1.00 0.00 N ATOM 403 CA GLY A 34 -0.383 -5.763 16.938 1.00 0.00 C ATOM 404 C GLY A 34 -1.516 -5.120 16.148 1.00 0.00 C ATOM 405 O GLY A 34 -2.669 -5.539 16.267 1.00 0.00 O ATOM 0 H GLY A 34 0.982 -5.670 15.347 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.558 -6.837 17.002 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.395 -5.377 17.957 1.00 0.00 H new ATOM 409 N VAL A 35 -1.194 -4.104 15.344 1.00 0.00 N ATOM 410 CA VAL A 35 -2.199 -3.411 14.539 1.00 0.00 C ATOM 411 C VAL A 35 -1.840 -3.450 13.052 1.00 0.00 C ATOM 412 O VAL A 35 -0.665 -3.383 12.690 1.00 0.00 O ATOM 413 CB VAL A 35 -2.367 -1.939 14.978 1.00 0.00 C ATOM 414 CG1 VAL A 35 -2.960 -1.866 16.377 1.00 0.00 C ATOM 415 CG2 VAL A 35 -1.039 -1.189 14.914 1.00 0.00 C ATOM 0 H VAL A 35 -0.246 -3.744 15.234 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.141 -3.936 14.698 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.055 -1.456 14.284 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.072 -0.822 16.671 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.936 -2.351 16.384 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.298 -2.372 17.080 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.189 -0.156 15.229 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.318 -1.669 15.576 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.661 -1.206 13.892 1.00 0.00 H new ATOM 425 N PRO A 36 -2.851 -3.559 12.167 1.00 0.00 N ATOM 426 CA PRO A 36 -2.634 -3.607 10.713 1.00 0.00 C ATOM 427 C PRO A 36 -1.956 -2.346 10.183 1.00 0.00 C ATOM 428 O PRO A 36 -2.038 -1.280 10.796 1.00 0.00 O ATOM 429 CB PRO A 36 -4.050 -3.737 10.134 1.00 0.00 C ATOM 430 CG PRO A 36 -4.891 -4.221 11.265 1.00 0.00 C ATOM 431 CD PRO A 36 -4.281 -3.644 12.509 1.00 0.00 C ATOM 0 HA PRO A 36 -1.972 -4.426 10.433 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.411 -2.780 9.756 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.071 -4.438 9.299 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.925 -3.895 11.150 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.902 -5.310 11.305 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.698 -2.665 12.747 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.452 -4.282 13.376 1.00 0.00 H new ATOM 439 N ILE A 37 -1.284 -2.474 9.039 1.00 0.00 N ATOM 440 CA ILE A 37 -0.590 -1.344 8.430 1.00 0.00 C ATOM 441 C ILE A 37 -1.551 -0.505 7.588 1.00 0.00 C ATOM 442 O ILE A 37 -2.300 -1.038 6.768 1.00 0.00 O ATOM 443 CB ILE A 37 0.593 -1.808 7.549 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.473 -2.808 8.310 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.419 -0.612 7.096 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.644 -4.133 7.599 1.00 0.00 C ATOM 0 H ILE A 37 -1.207 -3.347 8.518 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.197 -0.735 9.244 1.00 0.00 H new ATOM 0 HB ILE A 37 0.190 -2.306 6.667 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.455 -2.364 8.473 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.037 -2.987 9.293 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.248 -0.956 6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.791 0.066 6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.811 -0.089 7.968 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.278 -4.788 8.197 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.669 -4.600 7.460 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.109 -3.967 6.627 1.00 0.00 H new ATOM 458 N LEU A 38 -1.529 0.810 7.806 1.00 0.00 N ATOM 459 CA LEU A 38 -2.404 1.729 7.077 1.00 0.00 C ATOM 460 C LEU A 38 -1.616 2.927 6.538 1.00 0.00 C ATOM 461 O LEU A 38 -0.557 3.271 7.064 1.00 0.00 O ATOM 462 CB LEU A 38 -3.539 2.214 7.990 1.00 0.00 C ATOM 463 CG LEU A 38 -4.126 1.149 8.925 1.00 0.00 C ATOM 464 CD1 LEU A 38 -3.641 1.364 10.351 1.00 0.00 C ATOM 465 CD2 LEU A 38 -5.647 1.164 8.869 1.00 0.00 C ATOM 0 H LEU A 38 -0.914 1.263 8.482 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.830 1.192 6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.168 3.041 8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.341 2.609 7.367 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.782 0.171 8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.068 0.599 11.000 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.553 1.298 10.379 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.954 2.349 10.697 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.043 0.401 9.539 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.013 2.143 9.177 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.976 0.958 7.850 1.00 0.00 H new ATOM 477 N ILE A 39 -2.144 3.562 5.488 1.00 0.00 N ATOM 478 CA ILE A 39 -1.492 4.723 4.880 1.00 0.00 C ATOM 479 C ILE A 39 -1.792 5.994 5.673 1.00 0.00 C ATOM 480 O ILE A 39 -2.953 6.365 5.851 1.00 0.00 O ATOM 481 CB ILE A 39 -1.941 4.933 3.414 1.00 0.00 C ATOM 482 CG1 ILE A 39 -1.829 3.627 2.620 1.00 0.00 C ATOM 483 CG2 ILE A 39 -1.110 6.029 2.754 1.00 0.00 C ATOM 484 CD1 ILE A 39 -2.554 3.659 1.291 1.00 0.00 C ATOM 0 H ILE A 39 -3.021 3.291 5.042 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.421 4.522 4.895 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.986 5.243 3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.776 3.408 2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.228 2.811 3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.439 6.164 1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.239 6.963 3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.058 5.744 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.430 2.701 0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.615 3.846 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.140 4.453 0.670 1.00 0.00 H new ATOM 496 N SER A 40 -0.737 6.657 6.145 1.00 0.00 N ATOM 497 CA SER A 40 -0.887 7.888 6.918 1.00 0.00 C ATOM 498 C SER A 40 -0.494 9.121 6.100 1.00 0.00 C ATOM 499 O SER A 40 -1.024 10.211 6.324 1.00 0.00 O ATOM 500 CB SER A 40 -0.040 7.819 8.190 1.00 0.00 C ATOM 501 OG SER A 40 -0.635 6.964 9.150 1.00 0.00 O ATOM 0 H SER A 40 0.230 6.362 6.006 1.00 0.00 H new ATOM 0 HA SER A 40 -1.939 7.983 7.185 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.959 7.459 7.947 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.075 8.818 8.609 1.00 0.00 H new ATOM 0 HG SER A 40 -0.044 6.200 9.319 1.00 0.00 H new ATOM 507 N GLU A 41 0.439 8.952 5.157 1.00 0.00 N ATOM 508 CA GLU A 41 0.894 10.064 4.323 1.00 0.00 C ATOM 509 C GLU A 41 1.003 9.651 2.856 1.00 0.00 C ATOM 510 O GLU A 41 1.284 8.492 2.548 1.00 0.00 O ATOM 511 CB GLU A 41 2.249 10.577 4.820 1.00 0.00 C ATOM 512 CG GLU A 41 2.164 11.889 5.589 1.00 0.00 C ATOM 513 CD GLU A 41 3.014 12.988 4.976 1.00 0.00 C ATOM 514 OE1 GLU A 41 2.929 13.193 3.746 1.00 0.00 O ATOM 515 OE2 GLU A 41 3.765 13.644 5.729 1.00 0.00 O ATOM 0 H GLU A 41 0.890 8.060 4.955 1.00 0.00 H new ATOM 0 HA GLU A 41 0.155 10.861 4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.701 9.820 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.913 10.710 3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.125 12.217 5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.481 11.722 6.618 1.00 0.00 H new ATOM 522 N ILE A 42 0.787 10.611 1.955 1.00 0.00 N ATOM 523 CA ILE A 42 0.868 10.355 0.518 1.00 0.00 C ATOM 524 C ILE A 42 1.675 11.449 -0.180 1.00 0.00 C ATOM 525 O ILE A 42 1.261 12.609 -0.217 1.00 0.00 O ATOM 526 CB ILE A 42 -0.535 10.265 -0.127 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.447 9.334 0.680 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.427 9.784 -1.568 1.00 0.00 C ATOM 529 CD1 ILE A 42 -2.383 10.068 1.615 1.00 0.00 C ATOM 0 H ILE A 42 0.554 11.574 2.197 1.00 0.00 H new ATOM 0 HA ILE A 42 1.369 9.395 0.392 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.976 11.262 -0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.036 8.728 -0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.830 8.648 1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.423 9.726 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.182 10.483 -2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.037 8.798 -1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.998 9.347 2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.801 10.652 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.025 10.734 1.038 1.00 0.00 H new ATOM 541 N HIS A 43 2.831 11.075 -0.727 1.00 0.00 N ATOM 542 CA HIS A 43 3.702 12.025 -1.418 1.00 0.00 C ATOM 543 C HIS A 43 3.108 12.443 -2.765 1.00 0.00 C ATOM 544 O HIS A 43 2.685 11.597 -3.555 1.00 0.00 O ATOM 545 CB HIS A 43 5.093 11.418 -1.625 1.00 0.00 C ATOM 546 CG HIS A 43 5.932 11.401 -0.382 1.00 0.00 C ATOM 547 ND1 HIS A 43 7.077 12.156 -0.234 1.00 0.00 N ATOM 548 CD2 HIS A 43 5.783 10.716 0.779 1.00 0.00 C ATOM 549 CE1 HIS A 43 7.597 11.934 0.961 1.00 0.00 C ATOM 550 NE2 HIS A 43 6.831 11.066 1.595 1.00 0.00 N ATOM 0 H HIS A 43 3.187 10.119 -0.705 1.00 0.00 H new ATOM 0 HA HIS A 43 3.789 12.914 -0.793 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.984 10.398 -1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.615 11.982 -2.398 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.989 10.024 1.017 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.496 12.386 1.352 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.991 10.712 2.538 1.00 0.00 H new ATOM 559 N PRO A 44 3.067 13.764 -3.040 1.00 0.00 N ATOM 560 CA PRO A 44 2.520 14.303 -4.292 1.00 0.00 C ATOM 561 C PRO A 44 3.468 14.132 -5.477 1.00 0.00 C ATOM 562 O PRO A 44 4.617 13.717 -5.313 1.00 0.00 O ATOM 563 CB PRO A 44 2.328 15.785 -3.977 1.00 0.00 C ATOM 564 CG PRO A 44 3.379 16.090 -2.967 1.00 0.00 C ATOM 565 CD PRO A 44 3.547 14.839 -2.146 1.00 0.00 C ATOM 0 HA PRO A 44 1.608 13.786 -4.589 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.445 16.399 -4.870 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.331 15.981 -3.584 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.316 16.367 -3.451 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.084 16.931 -2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.587 14.686 -1.859 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.965 14.883 -1.225 1.00 0.00 H new ATOM 573 N GLY A 45 2.973 14.456 -6.673 1.00 0.00 N ATOM 574 CA GLY A 45 3.779 14.332 -7.879 1.00 0.00 C ATOM 575 C GLY A 45 4.176 12.894 -8.177 1.00 0.00 C ATOM 576 O GLY A 45 5.111 12.649 -8.941 1.00 0.00 O ATOM 0 H GLY A 45 2.026 14.803 -6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.222 14.733 -8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.679 14.938 -7.773 1.00 0.00 H new ATOM 580 N GLN A 46 3.462 11.942 -7.577 1.00 0.00 N ATOM 581 CA GLN A 46 3.735 10.527 -7.780 1.00 0.00 C ATOM 582 C GLN A 46 2.472 9.811 -8.253 1.00 0.00 C ATOM 583 O GLN A 46 1.382 10.384 -8.214 1.00 0.00 O ATOM 584 CB GLN A 46 4.247 9.896 -6.481 1.00 0.00 C ATOM 585 CG GLN A 46 5.759 9.744 -6.435 1.00 0.00 C ATOM 586 CD GLN A 46 6.452 10.992 -5.926 1.00 0.00 C ATOM 587 OE1 GLN A 46 6.695 11.930 -6.683 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.771 11.013 -4.636 1.00 0.00 N ATOM 0 H GLN A 46 2.686 12.131 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 46 4.504 10.424 -8.546 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.926 10.508 -5.638 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.787 8.915 -6.357 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.017 8.902 -5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.128 9.509 -7.433 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.551 10.213 -4.043 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.236 11.829 -4.239 1.00 0.00 H new ATOM 597 N PRO A 47 2.595 8.545 -8.700 1.00 0.00 N ATOM 598 CA PRO A 47 1.449 7.757 -9.171 1.00 0.00 C ATOM 599 C PRO A 47 0.305 7.721 -8.157 1.00 0.00 C ATOM 600 O PRO A 47 -0.860 7.602 -8.533 1.00 0.00 O ATOM 601 CB PRO A 47 2.023 6.345 -9.374 1.00 0.00 C ATOM 602 CG PRO A 47 3.369 6.357 -8.727 1.00 0.00 C ATOM 603 CD PRO A 47 3.847 7.779 -8.779 1.00 0.00 C ATOM 0 HA PRO A 47 1.018 8.187 -10.075 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.378 5.592 -8.921 1.00 0.00 H new ATOM 0 HB3 PRO A 47 2.101 6.103 -10.434 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.309 6.004 -7.697 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.059 5.695 -9.251 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.517 8.011 -7.951 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.393 7.989 -9.699 1.00 0.00 H new ATOM 611 N ALA A 48 0.646 7.827 -6.868 1.00 0.00 N ATOM 612 CA ALA A 48 -0.357 7.808 -5.806 1.00 0.00 C ATOM 613 C ALA A 48 -1.308 8.998 -5.919 1.00 0.00 C ATOM 614 O ALA A 48 -2.526 8.838 -5.832 1.00 0.00 O ATOM 615 CB ALA A 48 0.319 7.803 -4.442 1.00 0.00 C ATOM 0 H ALA A 48 1.606 7.926 -6.539 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.944 6.896 -5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.440 7.789 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.950 6.919 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.932 8.698 -4.336 1.00 0.00 H new ATOM 621 N ASP A 49 -0.746 10.189 -6.124 1.00 0.00 N ATOM 622 CA ASP A 49 -1.550 11.403 -6.258 1.00 0.00 C ATOM 623 C ASP A 49 -2.412 11.340 -7.515 1.00 0.00 C ATOM 624 O ASP A 49 -3.574 11.746 -7.505 1.00 0.00 O ATOM 625 CB ASP A 49 -0.649 12.641 -6.304 1.00 0.00 C ATOM 626 CG ASP A 49 -1.295 13.852 -5.658 1.00 0.00 C ATOM 627 OD1 ASP A 49 -2.358 14.291 -6.146 1.00 0.00 O ATOM 628 OD2 ASP A 49 -0.737 14.362 -4.665 1.00 0.00 O ATOM 0 H ASP A 49 0.260 10.339 -6.201 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.203 11.475 -5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.291 12.421 -5.798 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.407 12.872 -7.341 1.00 0.00 H new ATOM 633 N ARG A 50 -1.832 10.823 -8.596 1.00 0.00 N ATOM 634 CA ARG A 50 -2.540 10.699 -9.869 1.00 0.00 C ATOM 635 C ARG A 50 -3.638 9.634 -9.794 1.00 0.00 C ATOM 636 O ARG A 50 -4.639 9.718 -10.506 1.00 0.00 O ATOM 637 CB ARG A 50 -1.558 10.357 -10.994 1.00 0.00 C ATOM 638 CG ARG A 50 -0.284 11.191 -10.974 1.00 0.00 C ATOM 639 CD ARG A 50 -0.116 11.997 -12.252 1.00 0.00 C ATOM 640 NE ARG A 50 0.803 11.355 -13.192 1.00 0.00 N ATOM 641 CZ ARG A 50 1.412 11.994 -14.195 1.00 0.00 C ATOM 642 NH1 ARG A 50 1.196 13.291 -14.400 1.00 0.00 N ATOM 643 NH2 ARG A 50 2.238 11.332 -14.998 1.00 0.00 N ATOM 0 H ARG A 50 -0.871 10.482 -8.616 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.010 11.659 -10.082 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.292 9.302 -10.923 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.057 10.496 -11.953 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.305 11.866 -10.119 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.577 10.536 -10.842 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.088 12.127 -12.728 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.255 12.992 -12.006 1.00 0.00 H new ATOM 0 HE ARG A 50 0.990 10.359 -13.075 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.561 13.805 -13.789 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.665 13.771 -15.168 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.407 10.337 -14.848 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.704 11.819 -15.764 1.00 0.00 H new ATOM 657 N CYS A 51 -3.443 8.632 -8.932 1.00 0.00 N ATOM 658 CA CYS A 51 -4.420 7.556 -8.775 1.00 0.00 C ATOM 659 C CYS A 51 -5.697 8.047 -8.087 1.00 0.00 C ATOM 660 O CYS A 51 -6.777 7.499 -8.313 1.00 0.00 O ATOM 661 CB CYS A 51 -3.815 6.403 -7.968 1.00 0.00 C ATOM 662 SG CYS A 51 -2.817 5.256 -8.946 1.00 0.00 S ATOM 0 H CYS A 51 -2.620 8.545 -8.335 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.684 7.207 -9.773 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.196 6.817 -7.172 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.621 5.848 -7.489 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.477 4.151 -9.125 1.00 0.00 H new ATOM 668 N GLY A 52 -5.573 9.078 -7.247 1.00 0.00 N ATOM 669 CA GLY A 52 -6.732 9.613 -6.546 1.00 0.00 C ATOM 670 C GLY A 52 -7.113 8.794 -5.321 1.00 0.00 C ATOM 671 O GLY A 52 -7.203 9.329 -4.215 1.00 0.00 O ATOM 0 H GLY A 52 -4.693 9.550 -7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.524 10.639 -6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.579 9.649 -7.230 1.00 0.00 H new ATOM 675 N GLY A 53 -7.338 7.492 -5.522 1.00 0.00 N ATOM 676 CA GLY A 53 -7.713 6.606 -4.426 1.00 0.00 C ATOM 677 C GLY A 53 -6.760 6.666 -3.240 1.00 0.00 C ATOM 678 O GLY A 53 -7.169 6.417 -2.105 1.00 0.00 O ATOM 0 H GLY A 53 -7.266 7.034 -6.430 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.717 6.864 -4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.755 5.582 -4.796 1.00 0.00 H new ATOM 682 N LEU A 54 -5.492 6.999 -3.497 1.00 0.00 N ATOM 683 CA LEU A 54 -4.495 7.094 -2.432 1.00 0.00 C ATOM 684 C LEU A 54 -4.803 8.278 -1.513 1.00 0.00 C ATOM 685 O LEU A 54 -4.330 9.394 -1.740 1.00 0.00 O ATOM 686 CB LEU A 54 -3.085 7.237 -3.023 1.00 0.00 C ATOM 687 CG LEU A 54 -2.351 5.921 -3.304 1.00 0.00 C ATOM 688 CD1 LEU A 54 -2.173 5.119 -2.023 1.00 0.00 C ATOM 689 CD2 LEU A 54 -3.093 5.105 -4.353 1.00 0.00 C ATOM 0 H LEU A 54 -5.135 7.206 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.535 6.176 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.155 7.800 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.481 7.831 -2.337 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.362 6.159 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.650 4.189 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.591 5.700 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.150 4.892 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.555 4.175 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.097 4.879 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.159 5.676 -5.279 1.00 0.00 H new ATOM 701 N HIS A 55 -5.611 8.025 -0.483 1.00 0.00 N ATOM 702 CA HIS A 55 -5.999 9.064 0.469 1.00 0.00 C ATOM 703 C HIS A 55 -5.525 8.725 1.881 1.00 0.00 C ATOM 704 O HIS A 55 -5.292 7.559 2.207 1.00 0.00 O ATOM 705 CB HIS A 55 -7.523 9.251 0.460 1.00 0.00 C ATOM 706 CG HIS A 55 -8.293 7.984 0.704 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.176 7.242 1.862 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.187 7.323 -0.074 1.00 0.00 C ATOM 709 CE1 HIS A 55 -8.958 6.183 1.785 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.582 6.207 0.622 1.00 0.00 N ATOM 0 H HIS A 55 -6.010 7.107 -0.287 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.521 9.994 0.162 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.794 9.982 1.222 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.823 9.667 -0.502 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.525 7.619 -1.056 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.069 5.424 2.545 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.250 5.509 0.293 1.00 0.00 H new ATOM 719 N VAL A 56 -5.392 9.754 2.718 1.00 0.00 N ATOM 720 CA VAL A 56 -4.954 9.568 4.101 1.00 0.00 C ATOM 721 C VAL A 56 -5.966 8.724 4.878 1.00 0.00 C ATOM 722 O VAL A 56 -7.167 9.001 4.851 1.00 0.00 O ATOM 723 CB VAL A 56 -4.765 10.919 4.829 1.00 0.00 C ATOM 724 CG1 VAL A 56 -4.215 10.700 6.232 1.00 0.00 C ATOM 725 CG2 VAL A 56 -3.851 11.845 4.037 1.00 0.00 C ATOM 0 H VAL A 56 -5.581 10.723 2.463 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.994 9.054 4.063 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.742 11.396 4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.089 11.663 6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.911 10.086 6.804 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.251 10.195 6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.736 12.788 4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.875 11.375 3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.287 12.036 3.056 1.00 0.00 H new ATOM 735 N GLY A 57 -5.473 7.694 5.564 1.00 0.00 N ATOM 736 CA GLY A 57 -6.347 6.824 6.334 1.00 0.00 C ATOM 737 C GLY A 57 -6.822 5.623 5.534 1.00 0.00 C ATOM 738 O GLY A 57 -8.009 5.291 5.546 1.00 0.00 O ATOM 0 H GLY A 57 -4.484 7.447 5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.819 6.479 7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.211 7.393 6.677 1.00 0.00 H new ATOM 742 N ASP A 58 -5.889 4.970 4.841 1.00 0.00 N ATOM 743 CA ASP A 58 -6.207 3.799 4.032 1.00 0.00 C ATOM 744 C ASP A 58 -5.687 2.528 4.701 1.00 0.00 C ATOM 745 O ASP A 58 -4.503 2.434 5.029 1.00 0.00 O ATOM 746 CB ASP A 58 -5.609 3.943 2.626 1.00 0.00 C ATOM 747 CG ASP A 58 -6.669 4.108 1.550 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.746 3.484 1.672 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.421 4.863 0.586 1.00 0.00 O ATOM 0 H ASP A 58 -4.904 5.235 4.825 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.291 3.725 3.945 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.941 4.804 2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.004 3.065 2.402 1.00 0.00 H new ATOM 754 N ALA A 59 -6.576 1.556 4.905 1.00 0.00 N ATOM 755 CA ALA A 59 -6.202 0.295 5.544 1.00 0.00 C ATOM 756 C ALA A 59 -5.777 -0.747 4.512 1.00 0.00 C ATOM 757 O ALA A 59 -6.547 -1.098 3.617 1.00 0.00 O ATOM 758 CB ALA A 59 -7.356 -0.232 6.387 1.00 0.00 C ATOM 0 H ALA A 59 -7.558 1.618 4.637 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.348 0.488 6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.064 -1.171 6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.606 0.497 7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.225 -0.400 5.750 1.00 0.00 H new ATOM 764 N ILE A 60 -4.545 -1.238 4.648 1.00 0.00 N ATOM 765 CA ILE A 60 -4.010 -2.243 3.731 1.00 0.00 C ATOM 766 C ILE A 60 -4.551 -3.633 4.056 1.00 0.00 C ATOM 767 O ILE A 60 -4.512 -4.071 5.207 1.00 0.00 O ATOM 768 CB ILE A 60 -2.467 -2.297 3.773 1.00 0.00 C ATOM 769 CG1 ILE A 60 -1.864 -0.900 3.605 1.00 0.00 C ATOM 770 CG2 ILE A 60 -1.939 -3.234 2.696 1.00 0.00 C ATOM 771 CD1 ILE A 60 -0.441 -0.798 4.108 1.00 0.00 C ATOM 0 H ILE A 60 -3.899 -0.955 5.385 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.331 -1.946 2.733 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.169 -2.680 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.890 -0.625 2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.483 -0.178 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.850 -3.261 2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.334 -4.237 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.255 -2.876 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.074 0.218 3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.412 -1.042 5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.190 -1.496 3.558 1.00 0.00 H new ATOM 783 N LEU A 61 -5.041 -4.325 3.030 1.00 0.00 N ATOM 784 CA LEU A 61 -5.576 -5.673 3.196 1.00 0.00 C ATOM 785 C LEU A 61 -4.866 -6.654 2.261 1.00 0.00 C ATOM 786 O LEU A 61 -4.372 -7.694 2.702 1.00 0.00 O ATOM 787 CB LEU A 61 -7.086 -5.686 2.935 1.00 0.00 C ATOM 788 CG LEU A 61 -7.946 -5.067 4.043 1.00 0.00 C ATOM 789 CD1 LEU A 61 -9.412 -5.046 3.634 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.768 -5.828 5.351 1.00 0.00 C ATOM 0 H LEU A 61 -5.078 -3.973 2.073 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.398 -5.987 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.282 -5.153 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.404 -6.718 2.784 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.616 -4.039 4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.006 -4.603 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.528 -4.455 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.753 -6.065 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.387 -5.373 6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.068 -6.867 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.722 -5.790 5.655 1.00 0.00 H new ATOM 802 N ALA A 62 -4.814 -6.314 0.970 1.00 0.00 N ATOM 803 CA ALA A 62 -4.159 -7.165 -0.022 1.00 0.00 C ATOM 804 C ALA A 62 -3.474 -6.334 -1.106 1.00 0.00 C ATOM 805 O ALA A 62 -3.928 -5.240 -1.445 1.00 0.00 O ATOM 806 CB ALA A 62 -5.168 -8.120 -0.644 1.00 0.00 C ATOM 0 H ALA A 62 -5.217 -5.457 0.590 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.389 -7.744 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.668 -8.748 -1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.602 -8.748 0.134 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.958 -7.548 -1.131 1.00 0.00 H new ATOM 812 N VAL A 63 -2.380 -6.866 -1.647 1.00 0.00 N ATOM 813 CA VAL A 63 -1.629 -6.187 -2.699 1.00 0.00 C ATOM 814 C VAL A 63 -1.227 -7.175 -3.788 1.00 0.00 C ATOM 815 O VAL A 63 -0.457 -8.104 -3.538 1.00 0.00 O ATOM 816 CB VAL A 63 -0.359 -5.502 -2.147 1.00 0.00 C ATOM 817 CG1 VAL A 63 0.298 -4.642 -3.219 1.00 0.00 C ATOM 818 CG2 VAL A 63 -0.687 -4.672 -0.913 1.00 0.00 C ATOM 0 H VAL A 63 -1.993 -7.769 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.283 -5.420 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 63 0.348 -6.279 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.190 -4.169 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.576 -5.267 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.401 -3.874 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.222 -4.199 -0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.415 -3.904 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.102 -5.318 -0.140 1.00 0.00 H new ATOM 828 N ASN A 64 -1.756 -6.970 -4.995 1.00 0.00 N ATOM 829 CA ASN A 64 -1.460 -7.843 -6.131 1.00 0.00 C ATOM 830 C ASN A 64 -1.849 -9.293 -5.828 1.00 0.00 C ATOM 831 O ASN A 64 -1.198 -10.232 -6.292 1.00 0.00 O ATOM 832 CB ASN A 64 0.026 -7.755 -6.496 1.00 0.00 C ATOM 833 CG ASN A 64 0.254 -7.769 -7.996 1.00 0.00 C ATOM 834 OD1 ASN A 64 -0.376 -8.536 -8.724 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.161 -6.920 -8.469 1.00 0.00 N ATOM 0 H ASN A 64 -2.394 -6.204 -5.211 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.053 -7.505 -6.981 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.447 -6.842 -6.076 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.559 -8.590 -6.042 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.356 -6.888 -9.470 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.661 -6.301 -7.831 1.00 0.00 H new ATOM 842 N GLY A 65 -2.913 -9.470 -5.041 1.00 0.00 N ATOM 843 CA GLY A 65 -3.364 -10.807 -4.686 1.00 0.00 C ATOM 844 C GLY A 65 -2.699 -11.350 -3.425 1.00 0.00 C ATOM 845 O GLY A 65 -3.173 -12.329 -2.845 1.00 0.00 O ATOM 0 H GLY A 65 -3.468 -8.712 -4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.444 -10.793 -4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.162 -11.484 -5.516 1.00 0.00 H new ATOM 849 N VAL A 66 -1.603 -10.718 -2.993 1.00 0.00 N ATOM 850 CA VAL A 66 -0.886 -11.150 -1.795 1.00 0.00 C ATOM 851 C VAL A 66 -1.461 -10.485 -0.547 1.00 0.00 C ATOM 852 O VAL A 66 -1.700 -9.276 -0.534 1.00 0.00 O ATOM 853 CB VAL A 66 0.621 -10.833 -1.896 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.385 -11.468 -0.742 1.00 0.00 C ATOM 855 CG2 VAL A 66 1.178 -11.303 -3.232 1.00 0.00 C ATOM 0 H VAL A 66 -1.195 -9.906 -3.457 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.012 -12.230 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 66 0.747 -9.752 -1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.445 -11.231 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.007 -11.078 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.251 -12.549 -0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.242 -11.071 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.036 -12.380 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.655 -10.796 -4.043 1.00 0.00 H new ATOM 865 N ASN A 67 -1.684 -11.281 0.498 1.00 0.00 N ATOM 866 CA ASN A 67 -2.235 -10.765 1.749 1.00 0.00 C ATOM 867 C ASN A 67 -1.155 -10.076 2.578 1.00 0.00 C ATOM 868 O ASN A 67 -0.083 -10.636 2.805 1.00 0.00 O ATOM 869 CB ASN A 67 -2.883 -11.893 2.561 1.00 0.00 C ATOM 870 CG ASN A 67 -4.118 -11.428 3.312 1.00 0.00 C ATOM 871 OD1 ASN A 67 -4.184 -11.523 4.537 1.00 0.00 O ATOM 872 ND2 ASN A 67 -5.105 -10.921 2.580 1.00 0.00 N ATOM 0 H ASN A 67 -1.492 -12.283 0.503 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.000 -10.029 1.499 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.154 -12.710 1.892 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.157 -12.290 3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.958 -10.592 3.032 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.009 -10.861 1.566 1.00 0.00 H new ATOM 879 N LEU A 68 -1.447 -8.854 3.024 1.00 0.00 N ATOM 880 CA LEU A 68 -0.500 -8.080 3.828 1.00 0.00 C ATOM 881 C LEU A 68 -0.916 -8.033 5.301 1.00 0.00 C ATOM 882 O LEU A 68 -0.083 -7.784 6.174 1.00 0.00 O ATOM 883 CB LEU A 68 -0.370 -6.660 3.275 1.00 0.00 C ATOM 884 CG LEU A 68 1.050 -6.084 3.302 1.00 0.00 C ATOM 885 CD1 LEU A 68 1.381 -5.414 1.978 1.00 0.00 C ATOM 886 CD2 LEU A 68 1.210 -5.102 4.455 1.00 0.00 C ATOM 0 H LEU A 68 -2.331 -8.379 2.842 1.00 0.00 H new ATOM 0 HA LEU A 68 0.467 -8.579 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.730 -6.652 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.024 -6.002 3.847 1.00 0.00 H new ATOM 0 HG LEU A 68 1.749 -6.906 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.393 -5.011 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.312 -6.145 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.675 -4.604 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.225 -4.705 4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.500 -4.283 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.020 -5.614 5.398 1.00 0.00 H new ATOM 898 N ARG A 69 -2.202 -8.272 5.575 1.00 0.00 N ATOM 899 CA ARG A 69 -2.713 -8.258 6.947 1.00 0.00 C ATOM 900 C ARG A 69 -2.018 -9.324 7.800 1.00 0.00 C ATOM 901 O ARG A 69 -1.790 -9.123 8.993 1.00 0.00 O ATOM 902 CB ARG A 69 -4.230 -8.487 6.951 1.00 0.00 C ATOM 903 CG ARG A 69 -4.856 -8.467 8.338 1.00 0.00 C ATOM 904 CD ARG A 69 -5.927 -9.539 8.477 1.00 0.00 C ATOM 905 NE ARG A 69 -6.152 -9.929 9.869 1.00 0.00 N ATOM 906 CZ ARG A 69 -6.878 -9.220 10.740 1.00 0.00 C ATOM 907 NH1 ARG A 69 -7.423 -8.059 10.380 1.00 0.00 N ATOM 908 NH2 ARG A 69 -7.056 -9.674 11.977 1.00 0.00 N ATOM 0 H ARG A 69 -2.906 -8.477 4.866 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.500 -7.280 7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.704 -7.720 6.339 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.443 -9.447 6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.083 -8.623 9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.293 -7.487 8.528 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.861 -9.173 8.050 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.635 -10.416 7.900 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.728 -10.797 10.196 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.288 -7.704 9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.975 -7.525 11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.639 -10.561 12.260 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.609 -9.135 12.643 1.00 0.00 H new ATOM 922 N ASP A 70 -1.688 -10.458 7.180 1.00 0.00 N ATOM 923 CA ASP A 70 -1.021 -11.557 7.881 1.00 0.00 C ATOM 924 C ASP A 70 0.498 -11.354 7.936 1.00 0.00 C ATOM 925 O ASP A 70 1.162 -11.861 8.842 1.00 0.00 O ATOM 926 CB ASP A 70 -1.350 -12.893 7.203 1.00 0.00 C ATOM 927 CG ASP A 70 -2.763 -13.373 7.497 1.00 0.00 C ATOM 928 OD1 ASP A 70 -3.670 -12.523 7.634 1.00 0.00 O ATOM 929 OD2 ASP A 70 -2.964 -14.603 7.587 1.00 0.00 O ATOM 0 H ASP A 70 -1.872 -10.640 6.193 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.392 -11.571 8.906 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.224 -12.789 6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.638 -13.649 7.536 1.00 0.00 H new ATOM 934 N THR A 71 1.042 -10.613 6.968 1.00 0.00 N ATOM 935 CA THR A 71 2.481 -10.351 6.918 1.00 0.00 C ATOM 936 C THR A 71 2.874 -9.258 7.912 1.00 0.00 C ATOM 937 O THR A 71 2.017 -8.554 8.450 1.00 0.00 O ATOM 938 CB THR A 71 2.917 -9.945 5.500 1.00 0.00 C ATOM 939 OG1 THR A 71 2.453 -8.643 5.168 1.00 0.00 O ATOM 940 CG2 THR A 71 2.432 -10.892 4.424 1.00 0.00 C ATOM 0 H THR A 71 0.509 -10.185 6.211 1.00 0.00 H new ATOM 0 HA THR A 71 2.992 -11.274 7.192 1.00 0.00 H new ATOM 0 HB THR A 71 4.006 -9.976 5.527 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.599 -8.475 5.619 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.777 -10.544 3.450 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.827 -11.890 4.613 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.343 -10.925 4.433 1.00 0.00 H new ATOM 948 N LYS A 72 4.178 -9.120 8.143 1.00 0.00 N ATOM 949 CA LYS A 72 4.697 -8.112 9.064 1.00 0.00 C ATOM 950 C LYS A 72 5.070 -6.835 8.311 1.00 0.00 C ATOM 951 O LYS A 72 5.259 -6.857 7.095 1.00 0.00 O ATOM 952 CB LYS A 72 5.921 -8.658 9.808 1.00 0.00 C ATOM 953 CG LYS A 72 5.600 -9.781 10.785 1.00 0.00 C ATOM 954 CD LYS A 72 5.672 -11.147 10.117 1.00 0.00 C ATOM 955 CE LYS A 72 7.084 -11.715 10.150 1.00 0.00 C ATOM 956 NZ LYS A 72 7.322 -12.550 11.361 1.00 0.00 N ATOM 0 H LYS A 72 4.896 -9.696 7.703 1.00 0.00 H new ATOM 0 HA LYS A 72 3.918 -7.873 9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.645 -9.020 9.079 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.397 -7.842 10.352 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.299 -9.747 11.620 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.603 -9.630 11.198 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.991 -11.834 10.619 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.337 -11.065 9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.254 -12.316 9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.804 -10.897 10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.295 -12.917 11.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.185 -11.971 12.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.652 -13.345 11.371 1.00 0.00 H new ATOM 970 N HIS A 73 5.181 -5.723 9.041 1.00 0.00 N ATOM 971 CA HIS A 73 5.539 -4.439 8.436 1.00 0.00 C ATOM 972 C HIS A 73 6.839 -4.555 7.640 1.00 0.00 C ATOM 973 O HIS A 73 6.918 -4.101 6.499 1.00 0.00 O ATOM 974 CB HIS A 73 5.680 -3.359 9.514 1.00 0.00 C ATOM 975 CG HIS A 73 5.675 -1.958 8.978 1.00 0.00 C ATOM 976 ND1 HIS A 73 6.523 -0.973 9.440 1.00 0.00 N ATOM 977 CD2 HIS A 73 4.913 -1.375 8.021 1.00 0.00 C ATOM 978 CE1 HIS A 73 6.282 0.153 8.792 1.00 0.00 C ATOM 979 NE2 HIS A 73 5.311 -0.065 7.925 1.00 0.00 N ATOM 0 H HIS A 73 5.029 -5.686 10.049 1.00 0.00 H new ATOM 0 HA HIS A 73 4.739 -4.154 7.753 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.865 -3.466 10.230 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.608 -3.525 10.061 1.00 0.00 H new ATOM 0 HD1 HIS A 73 7.227 -1.095 10.168 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.137 -1.852 7.441 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.793 1.092 8.946 1.00 0.00 H new ATOM 988 N LYS A 74 7.854 -5.170 8.250 1.00 0.00 N ATOM 989 CA LYS A 74 9.149 -5.348 7.594 1.00 0.00 C ATOM 990 C LYS A 74 9.027 -6.262 6.374 1.00 0.00 C ATOM 991 O LYS A 74 9.638 -6.008 5.335 1.00 0.00 O ATOM 992 CB LYS A 74 10.175 -5.919 8.577 1.00 0.00 C ATOM 993 CG LYS A 74 11.615 -5.586 8.216 1.00 0.00 C ATOM 994 CD LYS A 74 12.548 -5.761 9.406 1.00 0.00 C ATOM 995 CE LYS A 74 12.576 -7.204 9.893 1.00 0.00 C ATOM 996 NZ LYS A 74 12.900 -8.162 8.797 1.00 0.00 N ATOM 0 H LYS A 74 7.804 -5.552 9.194 1.00 0.00 H new ATOM 0 HA LYS A 74 9.489 -4.369 7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.962 -5.536 9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.061 -7.002 8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.943 -6.228 7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.672 -4.558 7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.555 -5.451 9.127 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.228 -5.109 10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.314 -7.303 10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.607 -7.460 10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.091 -9.101 9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.095 -8.225 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.740 -7.829 8.282 1.00 0.00 H new ATOM 1010 N GLU A 75 8.231 -7.322 6.507 1.00 0.00 N ATOM 1011 CA GLU A 75 8.024 -8.271 5.414 1.00 0.00 C ATOM 1012 C GLU A 75 7.294 -7.608 4.247 1.00 0.00 C ATOM 1013 O GLU A 75 7.593 -7.883 3.084 1.00 0.00 O ATOM 1014 CB GLU A 75 7.226 -9.486 5.901 1.00 0.00 C ATOM 1015 CG GLU A 75 7.890 -10.238 7.046 1.00 0.00 C ATOM 1016 CD GLU A 75 8.959 -11.206 6.574 1.00 0.00 C ATOM 1017 OE1 GLU A 75 9.805 -10.803 5.748 1.00 0.00 O ATOM 1018 OE2 GLU A 75 8.949 -12.368 7.032 1.00 0.00 O ATOM 0 H GLU A 75 7.719 -7.545 7.360 1.00 0.00 H new ATOM 0 HA GLU A 75 9.003 -8.603 5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.238 -9.156 6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.079 -10.171 5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.335 -9.521 7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.130 -10.786 7.603 1.00 0.00 H new ATOM 1025 N ALA A 76 6.341 -6.732 4.565 1.00 0.00 N ATOM 1026 CA ALA A 76 5.572 -6.029 3.542 1.00 0.00 C ATOM 1027 C ALA A 76 6.467 -5.121 2.700 1.00 0.00 C ATOM 1028 O ALA A 76 6.200 -4.904 1.519 1.00 0.00 O ATOM 1029 CB ALA A 76 4.453 -5.221 4.179 1.00 0.00 C ATOM 0 H ALA A 76 6.084 -6.493 5.523 1.00 0.00 H new ATOM 0 HA ALA A 76 5.135 -6.778 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.890 -4.704 3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.787 -5.889 4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.878 -4.490 4.867 1.00 0.00 H new ATOM 1035 N VAL A 77 7.532 -4.596 3.311 1.00 0.00 N ATOM 1036 CA VAL A 77 8.465 -3.721 2.603 1.00 0.00 C ATOM 1037 C VAL A 77 9.118 -4.463 1.440 1.00 0.00 C ATOM 1038 O VAL A 77 9.243 -3.926 0.339 1.00 0.00 O ATOM 1039 CB VAL A 77 9.567 -3.182 3.541 1.00 0.00 C ATOM 1040 CG1 VAL A 77 10.422 -2.144 2.827 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.956 -2.601 4.809 1.00 0.00 C ATOM 0 H VAL A 77 7.768 -4.761 4.290 1.00 0.00 H new ATOM 0 HA VAL A 77 7.888 -2.877 2.225 1.00 0.00 H new ATOM 0 HB VAL A 77 10.212 -4.014 3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.192 -1.777 3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.893 -2.598 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.794 -1.312 2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.749 -2.227 5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.285 -1.783 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.397 -3.377 5.332 1.00 0.00 H new ATOM 1051 N THR A 78 9.523 -5.707 1.693 1.00 0.00 N ATOM 1052 CA THR A 78 10.151 -6.533 0.668 1.00 0.00 C ATOM 1053 C THR A 78 9.160 -6.853 -0.450 1.00 0.00 C ATOM 1054 O THR A 78 9.495 -6.761 -1.631 1.00 0.00 O ATOM 1055 CB THR A 78 10.686 -7.828 1.285 1.00 0.00 C ATOM 1056 OG1 THR A 78 11.497 -7.549 2.414 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.510 -8.656 0.322 1.00 0.00 C ATOM 0 H THR A 78 9.426 -6.163 2.600 1.00 0.00 H new ATOM 0 HA THR A 78 10.984 -5.975 0.241 1.00 0.00 H new ATOM 0 HB THR A 78 9.801 -8.400 1.565 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.828 -8.389 2.795 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.858 -9.559 0.824 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.898 -8.931 -0.537 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.368 -8.075 -0.015 1.00 0.00 H new ATOM 1065 N ILE A 79 7.935 -7.223 -0.068 1.00 0.00 N ATOM 1066 CA ILE A 79 6.892 -7.551 -1.040 1.00 0.00 C ATOM 1067 C ILE A 79 6.530 -6.332 -1.887 1.00 0.00 C ATOM 1068 O ILE A 79 6.390 -6.437 -3.106 1.00 0.00 O ATOM 1069 CB ILE A 79 5.611 -8.087 -0.358 1.00 0.00 C ATOM 1070 CG1 ILE A 79 5.943 -9.238 0.598 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.603 -8.540 -1.408 1.00 0.00 C ATOM 1072 CD1 ILE A 79 5.061 -9.275 1.829 1.00 0.00 C ATOM 0 H ILE A 79 7.643 -7.303 0.906 1.00 0.00 H new ATOM 0 HA ILE A 79 7.300 -8.334 -1.679 1.00 0.00 H new ATOM 0 HB ILE A 79 5.169 -7.279 0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.847 -10.183 0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.984 -9.152 0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.707 -8.915 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.340 -7.697 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.041 -9.332 -2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.352 -10.115 2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.175 -8.345 2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.020 -9.392 1.527 1.00 0.00 H new ATOM 1084 N LEU A 80 6.385 -5.177 -1.234 1.00 0.00 N ATOM 1085 CA LEU A 80 6.044 -3.937 -1.931 1.00 0.00 C ATOM 1086 C LEU A 80 7.062 -3.636 -3.030 1.00 0.00 C ATOM 1087 O LEU A 80 6.691 -3.249 -4.138 1.00 0.00 O ATOM 1088 CB LEU A 80 5.976 -2.767 -0.946 1.00 0.00 C ATOM 1089 CG LEU A 80 4.693 -2.686 -0.116 1.00 0.00 C ATOM 1090 CD1 LEU A 80 4.961 -1.990 1.210 1.00 0.00 C ATOM 1091 CD2 LEU A 80 3.602 -1.962 -0.893 1.00 0.00 C ATOM 0 H LEU A 80 6.498 -5.075 -0.225 1.00 0.00 H new ATOM 0 HA LEU A 80 5.064 -4.067 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.825 -2.836 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.088 -1.837 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 80 4.350 -3.699 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.038 -1.941 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.710 -2.550 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.327 -0.980 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.696 -1.913 -0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.934 -0.952 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.393 -2.502 -1.816 1.00 0.00 H new ATOM 1103 N SER A 81 8.345 -3.824 -2.718 1.00 0.00 N ATOM 1104 CA SER A 81 9.411 -3.580 -3.688 1.00 0.00 C ATOM 1105 C SER A 81 9.366 -4.606 -4.824 1.00 0.00 C ATOM 1106 O SER A 81 9.730 -4.299 -5.960 1.00 0.00 O ATOM 1107 CB SER A 81 10.782 -3.613 -3.005 1.00 0.00 C ATOM 1108 OG SER A 81 11.820 -3.338 -3.930 1.00 0.00 O ATOM 0 H SER A 81 8.669 -4.143 -1.805 1.00 0.00 H new ATOM 0 HA SER A 81 9.254 -2.588 -4.113 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.807 -2.881 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.943 -4.592 -2.553 1.00 0.00 H new ATOM 0 HG SER A 81 12.684 -3.364 -3.469 1.00 0.00 H new ATOM 1114 N GLN A 82 8.915 -5.824 -4.510 1.00 0.00 N ATOM 1115 CA GLN A 82 8.819 -6.894 -5.505 1.00 0.00 C ATOM 1116 C GLN A 82 7.791 -6.562 -6.592 1.00 0.00 C ATOM 1117 O GLN A 82 7.872 -7.082 -7.705 1.00 0.00 O ATOM 1118 CB GLN A 82 8.449 -8.221 -4.833 1.00 0.00 C ATOM 1119 CG GLN A 82 9.509 -8.732 -3.868 1.00 0.00 C ATOM 1120 CD GLN A 82 10.295 -9.909 -4.421 1.00 0.00 C ATOM 1121 OE1 GLN A 82 10.303 -10.156 -5.627 1.00 0.00 O ATOM 1122 NE2 GLN A 82 10.965 -10.642 -3.538 1.00 0.00 N ATOM 0 H GLN A 82 8.611 -6.093 -3.574 1.00 0.00 H new ATOM 0 HA GLN A 82 9.797 -6.988 -5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.509 -8.096 -4.295 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.278 -8.973 -5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.198 -7.921 -3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.031 -9.028 -2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.932 -10.403 -2.547 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.512 -11.444 -3.851 1.00 0.00 H new ATOM 1131 N GLN A 83 6.825 -5.698 -6.265 1.00 0.00 N ATOM 1132 CA GLN A 83 5.789 -5.308 -7.222 1.00 0.00 C ATOM 1133 C GLN A 83 6.401 -4.583 -8.424 1.00 0.00 C ATOM 1134 O GLN A 83 6.680 -3.383 -8.363 1.00 0.00 O ATOM 1135 CB GLN A 83 4.738 -4.418 -6.546 1.00 0.00 C ATOM 1136 CG GLN A 83 4.220 -4.966 -5.222 1.00 0.00 C ATOM 1137 CD GLN A 83 3.713 -6.390 -5.332 1.00 0.00 C ATOM 1138 OE1 GLN A 83 2.609 -6.630 -5.813 1.00 0.00 O ATOM 1139 NE2 GLN A 83 4.521 -7.345 -4.885 1.00 0.00 N ATOM 0 H GLN A 83 6.740 -5.258 -5.349 1.00 0.00 H new ATOM 0 HA GLN A 83 5.302 -6.215 -7.579 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.168 -3.431 -6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.897 -4.286 -7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.018 -4.926 -4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.416 -4.326 -4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.430 -7.101 -4.493 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.232 -8.322 -4.934 1.00 0.00 H new ATOM 1148 N ARG A 84 6.613 -5.328 -9.510 1.00 0.00 N ATOM 1149 CA ARG A 84 7.199 -4.774 -10.729 1.00 0.00 C ATOM 1150 C ARG A 84 6.123 -4.456 -11.766 1.00 0.00 C ATOM 1151 O ARG A 84 5.110 -5.153 -11.858 1.00 0.00 O ATOM 1152 CB ARG A 84 8.214 -5.757 -11.318 1.00 0.00 C ATOM 1153 CG ARG A 84 9.532 -5.110 -11.713 1.00 0.00 C ATOM 1154 CD ARG A 84 9.625 -4.905 -13.217 1.00 0.00 C ATOM 1155 NE ARG A 84 10.865 -4.232 -13.606 1.00 0.00 N ATOM 1156 CZ ARG A 84 11.337 -4.194 -14.856 1.00 0.00 C ATOM 1157 NH1 ARG A 84 10.674 -4.784 -15.849 1.00 0.00 N ATOM 1158 NH2 ARG A 84 12.476 -3.562 -15.114 1.00 0.00 N ATOM 0 H ARG A 84 6.386 -6.321 -9.569 1.00 0.00 H new ATOM 0 HA ARG A 84 7.704 -3.845 -10.467 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.409 -6.544 -10.590 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.777 -6.235 -12.195 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.633 -4.150 -11.207 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.360 -5.735 -11.378 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.565 -5.871 -13.718 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.772 -4.317 -13.556 1.00 0.00 H new ATOM 0 HE ARG A 84 11.403 -3.762 -12.878 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.798 -5.270 -15.659 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.042 -4.749 -16.800 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.989 -3.107 -14.359 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.838 -3.532 -16.067 1.00 0.00 H new ATOM 1172 N GLY A 85 6.357 -3.400 -12.548 1.00 0.00 N ATOM 1173 CA GLY A 85 5.408 -3.002 -13.575 1.00 0.00 C ATOM 1174 C GLY A 85 4.083 -2.546 -12.997 1.00 0.00 C ATOM 1175 O GLY A 85 3.988 -1.456 -12.429 1.00 0.00 O ATOM 0 H GLY A 85 7.189 -2.813 -12.487 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.838 -2.196 -14.169 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.237 -3.840 -14.251 1.00 0.00 H new ATOM 1179 N GLU A 86 3.058 -3.388 -13.137 1.00 0.00 N ATOM 1180 CA GLU A 86 1.732 -3.074 -12.619 1.00 0.00 C ATOM 1181 C GLU A 86 1.604 -3.528 -11.169 1.00 0.00 C ATOM 1182 O GLU A 86 2.138 -4.571 -10.786 1.00 0.00 O ATOM 1183 CB GLU A 86 0.648 -3.738 -13.473 1.00 0.00 C ATOM 1184 CG GLU A 86 -0.749 -3.189 -13.217 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.703 -3.451 -14.367 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.446 -2.946 -15.481 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -2.710 -4.160 -14.153 1.00 0.00 O ATOM 0 H GLU A 86 3.124 -4.292 -13.605 1.00 0.00 H new ATOM 0 HA GLU A 86 1.598 -1.993 -12.662 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.894 -3.605 -14.526 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.650 -4.810 -13.278 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.150 -3.638 -12.309 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.686 -2.115 -13.041 1.00 0.00 H new ATOM 1194 N ILE A 87 0.896 -2.739 -10.367 1.00 0.00 N ATOM 1195 CA ILE A 87 0.703 -3.060 -8.959 1.00 0.00 C ATOM 1196 C ILE A 87 -0.743 -2.811 -8.533 1.00 0.00 C ATOM 1197 O ILE A 87 -1.251 -1.694 -8.658 1.00 0.00 O ATOM 1198 CB ILE A 87 1.644 -2.232 -8.056 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.056 -2.180 -8.655 1.00 0.00 C ATOM 1200 CG2 ILE A 87 1.677 -2.814 -6.648 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.030 -1.349 -7.847 1.00 0.00 C ATOM 0 H ILE A 87 0.447 -1.874 -10.668 1.00 0.00 H new ATOM 0 HA ILE A 87 0.939 -4.118 -8.840 1.00 0.00 H new ATOM 0 HB ILE A 87 1.261 -1.213 -7.997 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.442 -3.196 -8.740 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.998 -1.775 -9.665 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.344 -2.219 -6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.673 -2.797 -6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.037 -3.842 -6.688 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.006 -1.359 -8.332 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.667 -0.323 -7.783 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.119 -1.766 -6.844 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.395 -3.854 -8.025 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.779 -3.750 -7.572 1.00 0.00 C ATOM 1215 C GLU A 88 -2.835 -3.521 -6.065 1.00 0.00 C ATOM 1216 O GLU A 88 -2.281 -4.304 -5.292 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.556 -5.018 -7.930 1.00 0.00 C ATOM 1218 CG GLU A 88 -4.078 -5.036 -9.358 1.00 0.00 C ATOM 1219 CD GLU A 88 -4.478 -6.427 -9.812 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -3.586 -7.294 -9.929 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -5.684 -6.650 -10.047 1.00 0.00 O ATOM 0 H GLU A 88 -0.986 -4.782 -7.917 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.237 -2.899 -8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.911 -5.883 -7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.397 -5.123 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.938 -4.371 -9.436 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.311 -4.645 -10.027 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.503 -2.447 -5.651 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.624 -2.124 -4.234 1.00 0.00 C ATOM 1230 C PHE A 89 -5.067 -2.271 -3.757 1.00 0.00 C ATOM 1231 O PHE A 89 -5.992 -1.729 -4.367 1.00 0.00 O ATOM 1232 CB PHE A 89 -3.128 -0.699 -3.974 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.775 -0.643 -3.318 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -0.624 -0.897 -4.047 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -1.657 -0.339 -1.970 1.00 0.00 C ATOM 1236 CE1 PHE A 89 0.620 -0.846 -3.445 1.00 0.00 C ATOM 1237 CE2 PHE A 89 -0.416 -0.288 -1.364 1.00 0.00 C ATOM 1238 CZ PHE A 89 0.723 -0.543 -2.102 1.00 0.00 C ATOM 0 H PHE A 89 -3.967 -1.788 -6.276 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.007 -2.826 -3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.087 -0.159 -4.920 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.850 -0.181 -3.343 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.699 -1.138 -5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.544 -0.140 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.510 -1.043 -4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.337 -0.049 -0.314 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.693 -0.505 -1.629 1.00 0.00 H new ATOM 1248 N GLU A 90 -5.250 -3.000 -2.656 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.575 -3.212 -2.084 1.00 0.00 C ATOM 1250 C GLU A 90 -6.636 -2.644 -0.670 1.00 0.00 C ATOM 1251 O GLU A 90 -5.933 -3.114 0.229 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.924 -4.705 -2.078 1.00 0.00 C ATOM 1253 CG GLU A 90 -7.800 -5.130 -3.246 1.00 0.00 C ATOM 1254 CD GLU A 90 -7.931 -6.636 -3.366 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -6.912 -7.302 -3.645 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -9.055 -7.149 -3.187 1.00 0.00 O ATOM 0 H GLU A 90 -4.494 -3.454 -2.143 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.308 -2.691 -2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.001 -5.285 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.434 -4.947 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.791 -4.692 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.383 -4.732 -4.171 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.472 -1.622 -0.487 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.622 -0.969 0.812 1.00 0.00 C ATOM 1265 C VAL A 91 -9.068 -0.536 1.058 1.00 0.00 C ATOM 1266 O VAL A 91 -9.899 -0.561 0.146 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.705 0.271 0.924 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -5.239 -0.138 0.929 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.985 1.250 -0.208 1.00 0.00 C ATOM 0 H VAL A 91 -8.057 -1.228 -1.224 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.335 -1.703 1.565 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.922 0.768 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.613 0.751 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.047 -0.794 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.005 -0.665 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.330 2.115 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.802 0.762 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.024 1.575 -0.159 1.00 0.00 H new ATOM 1279 N VAL A 92 -9.358 -0.134 2.296 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.697 0.315 2.672 1.00 0.00 C ATOM 1281 C VAL A 92 -10.634 1.604 3.493 1.00 0.00 C ATOM 1282 O VAL A 92 -9.776 1.749 4.366 1.00 0.00 O ATOM 1283 CB VAL A 92 -11.452 -0.763 3.482 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -11.866 -1.918 2.583 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -10.604 -1.263 4.644 1.00 0.00 C ATOM 0 H VAL A 92 -8.680 -0.111 3.057 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.238 0.502 1.744 1.00 0.00 H new ATOM 0 HB VAL A 92 -12.353 -0.308 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.396 -2.666 3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.520 -1.548 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.979 -2.369 2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.157 -2.021 5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.680 -1.696 4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -10.367 -0.430 5.306 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.544 2.537 3.207 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.586 3.814 3.921 1.00 0.00 C ATOM 1297 C TYR A 93 -12.028 3.614 5.371 1.00 0.00 C ATOM 1298 O TYR A 93 -13.098 3.060 5.631 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.533 4.794 3.216 1.00 0.00 C ATOM 1300 CG TYR A 93 -11.972 6.194 3.061 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.214 6.784 4.070 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -12.206 6.930 1.906 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -10.709 8.063 3.928 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -11.703 8.207 1.757 1.00 0.00 C ATOM 1305 CZ TYR A 93 -10.957 8.770 2.770 1.00 0.00 C ATOM 1306 OH TYR A 93 -10.455 10.042 2.623 1.00 0.00 O ATOM 0 H TYR A 93 -12.260 2.433 2.488 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.579 4.232 3.920 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.777 4.401 2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.466 4.848 3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.018 6.233 4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.792 6.495 1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.123 8.506 4.720 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.893 8.762 0.851 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.720 10.399 1.750 1.00 0.00 H new ATOM 1316 N VAL A 94 -11.198 4.067 6.309 1.00 0.00 N ATOM 1317 CA VAL A 94 -11.501 3.935 7.731 1.00 0.00 C ATOM 1318 C VAL A 94 -11.711 5.299 8.385 1.00 0.00 C ATOM 1319 O VAL A 94 -11.044 6.276 8.035 1.00 0.00 O ATOM 1320 CB VAL A 94 -10.383 3.176 8.481 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -10.383 1.704 8.091 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -9.019 3.805 8.213 1.00 0.00 C ATOM 0 H VAL A 94 -10.311 4.529 6.109 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.425 3.361 7.801 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.582 3.250 9.550 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.589 1.185 8.629 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.345 1.260 8.347 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.215 1.612 7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.251 3.251 8.753 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.807 3.772 7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.024 4.842 8.550 1.00 0.00 H new ATOM 1332 N ALA A 95 -12.644 5.356 9.334 1.00 0.00 N ATOM 1333 CA ALA A 95 -12.951 6.597 10.041 1.00 0.00 C ATOM 1334 C ALA A 95 -13.287 6.338 11.510 1.00 0.00 C ATOM 1335 O ALA A 95 -13.302 7.314 12.290 1.00 0.00 O ATOM 1336 CB ALA A 95 -14.101 7.317 9.352 1.00 0.00 C ATOM 0 H ALA A 95 -13.201 4.555 9.631 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.064 7.230 10.013 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.323 8.241 9.885 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.821 7.549 8.324 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.983 6.677 9.352 1.00 0.00 H new