USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 700 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 67 ASN : amide:sc= 0.77 K(o=2.8,f=-6.8!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -127:sc= 2 (180deg=0.384) USER MOD Single : A 17 THR OG1 : rot 57:sc= 1.37 USER MOD Single : A 19 LYS NZ :NH3+ 152:sc= 2.16 (180deg=0.199) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 1.04 (180deg=1.02) USER MOD Single : A 22 CYS SG : rot -71:sc= 0.279 USER MOD Single : A 24 TYR OH : rot 90:sc= 1.02 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0823) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -1.17 F(o=-2.1,f=-1.2) USER MOD Single : A 29 THR OG1 : rot 73:sc= 0.782 USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0808) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.532 F(o=-1.1,f=-0.53) USER MOD Single : A 40 MET CE :methyl 157:sc= -0.171 (180deg=-0.934) USER MOD Single : A 41 TYR OH : rot 130:sc= 0.0742 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.259 K(o=-0.26,f=-0.87) USER MOD Single : A 57 THR OG1 : rot 130:sc= -0.977 USER MOD Single : A 60 GLN : amide:sc= -4.7! C(o=-4.7!,f=-5.1!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0.184 X(o=0.18,f=0) USER MOD Single : A 70 MET CE :methyl -142:sc= -6.72! (180deg=-9.09!) USER MOD Single : A 72 MET CE :methyl -139:sc= -0.574 (180deg=-1.11) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 153:sc= -0.293 (180deg=-1.18) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : B 171 ASN : amide:sc= -0.006 K(o=-0.006,f=-2.1) USER MOD Single : B 172 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.086) USER MOD Single : B 176 SER OG : rot 180:sc= 0 USER MOD Single : B 180 THR OG1 : rot 180:sc= 0 USER MOD Single : B 184 SER OG : rot 89:sc= 0.523 USER MOD Single : B 189 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 17 7.597 5.931 7.499 1.00 0.00 N ATOM 2 CA THR A 17 8.346 4.738 7.044 1.00 0.00 C ATOM 3 C THR A 17 8.910 4.957 5.641 1.00 0.00 C ATOM 4 O THR A 17 8.902 4.049 4.804 1.00 0.00 O ATOM 5 CB THR A 17 7.433 3.496 7.038 1.00 0.00 C ATOM 6 OG1 THR A 17 6.405 3.635 8.031 1.00 0.00 O ATOM 7 CG2 THR A 17 8.233 2.234 7.310 1.00 0.00 C ATOM 0 HA THR A 17 9.170 4.576 7.739 1.00 0.00 H new ATOM 0 HB THR A 17 6.978 3.415 6.051 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.895 4.455 7.862 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.566 1.372 7.301 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.994 2.113 6.539 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.713 2.311 8.286 1.00 0.00 H new ATOM 17 N ARG A 18 9.398 6.165 5.379 1.00 0.00 N ATOM 18 CA ARG A 18 9.957 6.491 4.074 1.00 0.00 C ATOM 19 C ARG A 18 11.333 5.859 3.927 1.00 0.00 C ATOM 20 O ARG A 18 12.340 6.440 4.333 1.00 0.00 O ATOM 21 CB ARG A 18 10.057 8.007 3.882 1.00 0.00 C ATOM 22 CG ARG A 18 8.789 8.757 4.252 1.00 0.00 C ATOM 23 CD ARG A 18 8.851 10.211 3.813 1.00 0.00 C ATOM 24 NE ARG A 18 9.964 10.925 4.430 1.00 0.00 N ATOM 25 CZ ARG A 18 10.544 12.001 3.898 1.00 0.00 C ATOM 26 NH1 ARG A 18 10.137 12.481 2.729 1.00 0.00 N ATOM 27 NH2 ARG A 18 11.541 12.600 4.527 1.00 0.00 N ATOM 0 H ARG A 18 9.417 6.932 6.051 1.00 0.00 H new ATOM 0 HA ARG A 18 9.291 6.093 3.308 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.882 8.387 4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.301 8.217 2.841 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.930 8.272 3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.638 8.708 5.330 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.948 10.258 2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.915 10.707 4.071 1.00 0.00 H new ATOM 0 HE ARG A 18 10.320 10.580 5.322 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.373 12.026 2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.588 13.305 2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.869 12.239 5.423 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.982 13.423 4.116 1.00 0.00 H new ATOM 41 N LYS A 19 11.372 4.656 3.374 1.00 0.00 N ATOM 42 CA LYS A 19 12.625 3.945 3.189 1.00 0.00 C ATOM 43 C LYS A 19 12.735 3.392 1.768 1.00 0.00 C ATOM 44 O LYS A 19 13.489 3.916 0.949 1.00 0.00 O ATOM 45 CB LYS A 19 12.738 2.811 4.213 1.00 0.00 C ATOM 46 CG LYS A 19 14.160 2.327 4.435 1.00 0.00 C ATOM 47 CD LYS A 19 14.819 3.038 5.610 1.00 0.00 C ATOM 48 CE LYS A 19 14.300 2.525 6.944 1.00 0.00 C ATOM 49 NZ LYS A 19 14.416 1.046 7.052 1.00 0.00 N ATOM 0 H LYS A 19 10.548 4.152 3.046 1.00 0.00 H new ATOM 0 HA LYS A 19 13.446 4.646 3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.327 3.150 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.126 1.972 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.155 1.252 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.747 2.495 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.899 2.896 5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.635 4.110 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.858 2.993 7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.257 2.817 7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.518 0.778 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.562 0.601 6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.250 0.723 6.520 1.00 0.00 H new ATOM 63 N LYS A 20 11.975 2.342 1.480 1.00 0.00 N ATOM 64 CA LYS A 20 11.992 1.722 0.159 1.00 0.00 C ATOM 65 C LYS A 20 10.762 0.844 -0.041 1.00 0.00 C ATOM 66 O LYS A 20 10.388 0.076 0.843 1.00 0.00 O ATOM 67 CB LYS A 20 13.261 0.880 -0.020 1.00 0.00 C ATOM 68 CG LYS A 20 13.388 0.252 -1.400 1.00 0.00 C ATOM 69 CD LYS A 20 13.736 1.285 -2.459 1.00 0.00 C ATOM 70 CE LYS A 20 13.657 0.700 -3.861 1.00 0.00 C ATOM 71 NZ LYS A 20 14.656 -0.380 -4.081 1.00 0.00 N ATOM 0 H LYS A 20 11.338 1.901 2.144 1.00 0.00 H new ATOM 0 HA LYS A 20 11.982 2.517 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.132 1.508 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.272 0.090 0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.157 -0.520 -1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.451 -0.238 -1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.055 2.132 -2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.741 1.666 -2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.655 0.305 -4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.816 1.493 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.497 -0.816 -5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.615 0.021 -4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.556 -1.102 -3.339 1.00 0.00 H new ATOM 85 N ARG A 21 10.123 0.982 -1.192 1.00 0.00 N ATOM 86 CA ARG A 21 8.949 0.186 -1.509 1.00 0.00 C ATOM 87 C ARG A 21 9.302 -0.850 -2.574 1.00 0.00 C ATOM 88 O ARG A 21 10.017 -0.539 -3.528 1.00 0.00 O ATOM 89 CB ARG A 21 7.807 1.083 -1.991 1.00 0.00 C ATOM 90 CG ARG A 21 6.426 0.544 -1.653 1.00 0.00 C ATOM 91 CD ARG A 21 5.483 1.647 -1.186 1.00 0.00 C ATOM 92 NE ARG A 21 5.268 2.665 -2.211 1.00 0.00 N ATOM 93 CZ ARG A 21 5.072 3.959 -1.960 1.00 0.00 C ATOM 94 NH1 ARG A 21 5.023 4.400 -0.713 1.00 0.00 N ATOM 95 NH2 ARG A 21 4.903 4.811 -2.962 1.00 0.00 N ATOM 0 H ARG A 21 10.398 1.639 -1.922 1.00 0.00 H new ATOM 0 HA ARG A 21 8.617 -0.331 -0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.921 2.072 -1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.885 1.208 -3.071 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.004 0.053 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.513 -0.213 -0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.525 1.208 -0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.892 2.116 -0.291 1.00 0.00 H new ATOM 0 HE ARG A 21 5.268 2.365 -3.186 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.136 3.748 0.063 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.873 5.392 -0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.923 4.476 -3.925 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.753 5.801 -2.770 1.00 0.00 H new ATOM 109 N CYS A 22 8.827 -2.076 -2.396 1.00 0.00 N ATOM 110 CA CYS A 22 9.103 -3.145 -3.346 1.00 0.00 C ATOM 111 C CYS A 22 8.328 -2.923 -4.643 1.00 0.00 C ATOM 112 O CYS A 22 7.254 -2.318 -4.639 1.00 0.00 O ATOM 113 CB CYS A 22 8.767 -4.512 -2.734 1.00 0.00 C ATOM 114 SG CYS A 22 7.065 -4.684 -2.147 1.00 0.00 S ATOM 0 H CYS A 22 8.249 -2.354 -1.603 1.00 0.00 H new ATOM 0 HA CYS A 22 10.167 -3.132 -3.580 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.959 -5.285 -3.479 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.444 -4.697 -1.900 1.00 0.00 H new ATOM 0 HG CYS A 22 6.902 -3.971 -1.072 1.00 0.00 H new ATOM 120 N PRO A 23 8.875 -3.397 -5.771 1.00 0.00 N ATOM 121 CA PRO A 23 8.248 -3.235 -7.082 1.00 0.00 C ATOM 122 C PRO A 23 6.971 -4.060 -7.256 1.00 0.00 C ATOM 123 O PRO A 23 7.019 -5.268 -7.507 1.00 0.00 O ATOM 124 CB PRO A 23 9.331 -3.705 -8.059 1.00 0.00 C ATOM 125 CG PRO A 23 10.193 -4.625 -7.268 1.00 0.00 C ATOM 126 CD PRO A 23 10.158 -4.118 -5.854 1.00 0.00 C ATOM 0 HA PRO A 23 7.924 -2.206 -7.238 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.893 -4.215 -8.917 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.905 -2.863 -8.447 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.824 -5.649 -7.324 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.212 -4.632 -7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.205 -4.936 -5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.001 -3.460 -5.644 1.00 0.00 H new ATOM 134 N TYR A 24 5.832 -3.400 -7.095 1.00 0.00 N ATOM 135 CA TYR A 24 4.544 -4.021 -7.265 1.00 0.00 C ATOM 136 C TYR A 24 4.136 -3.928 -8.728 1.00 0.00 C ATOM 137 O TYR A 24 4.290 -2.883 -9.360 1.00 0.00 O ATOM 138 CB TYR A 24 3.501 -3.346 -6.369 1.00 0.00 C ATOM 139 CG TYR A 24 3.862 -1.946 -5.922 1.00 0.00 C ATOM 140 CD1 TYR A 24 3.950 -0.901 -6.832 1.00 0.00 C ATOM 141 CD2 TYR A 24 4.116 -1.673 -4.583 1.00 0.00 C ATOM 142 CE1 TYR A 24 4.283 0.374 -6.424 1.00 0.00 C ATOM 143 CE2 TYR A 24 4.449 -0.401 -4.166 1.00 0.00 C ATOM 144 CZ TYR A 24 4.531 0.619 -5.092 1.00 0.00 C ATOM 145 OH TYR A 24 4.870 1.888 -4.683 1.00 0.00 O ATOM 0 H TYR A 24 5.785 -2.413 -6.841 1.00 0.00 H new ATOM 0 HA TYR A 24 4.605 -5.070 -6.975 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.552 -3.309 -6.904 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.345 -3.966 -5.486 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.754 -1.090 -7.877 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.052 -2.470 -3.857 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.349 1.175 -7.145 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.644 -0.205 -3.122 1.00 0.00 H new ATOM 0 HH TYR A 24 4.057 2.387 -4.457 1.00 0.00 H new ATOM 155 N THR A 25 3.618 -5.018 -9.252 1.00 0.00 N ATOM 156 CA THR A 25 3.215 -5.082 -10.646 1.00 0.00 C ATOM 157 C THR A 25 1.952 -4.257 -10.892 1.00 0.00 C ATOM 158 O THR A 25 1.223 -3.910 -9.951 1.00 0.00 O ATOM 159 CB THR A 25 2.995 -6.548 -11.098 1.00 0.00 C ATOM 160 OG1 THR A 25 2.922 -6.624 -12.530 1.00 0.00 O ATOM 161 CG2 THR A 25 1.729 -7.133 -10.488 1.00 0.00 C ATOM 0 H THR A 25 3.464 -5.881 -8.730 1.00 0.00 H new ATOM 0 HA THR A 25 4.024 -4.658 -11.240 1.00 0.00 H new ATOM 0 HB THR A 25 3.846 -7.132 -10.748 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.785 -7.556 -12.802 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.604 -8.162 -10.825 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.807 -7.114 -9.401 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.868 -6.542 -10.800 1.00 0.00 H new ATOM 169 N LYS A 26 1.710 -3.931 -12.158 1.00 0.00 N ATOM 170 CA LYS A 26 0.542 -3.151 -12.557 1.00 0.00 C ATOM 171 C LYS A 26 -0.734 -3.800 -12.047 1.00 0.00 C ATOM 172 O LYS A 26 -1.590 -3.130 -11.469 1.00 0.00 O ATOM 173 CB LYS A 26 0.478 -3.028 -14.081 1.00 0.00 C ATOM 174 CG LYS A 26 1.605 -2.202 -14.676 1.00 0.00 C ATOM 175 CD LYS A 26 1.747 -2.436 -16.171 1.00 0.00 C ATOM 176 CE LYS A 26 2.281 -3.827 -16.472 1.00 0.00 C ATOM 177 NZ LYS A 26 3.715 -3.965 -16.107 1.00 0.00 N ATOM 0 H LYS A 26 2.315 -4.199 -12.934 1.00 0.00 H new ATOM 0 HA LYS A 26 0.634 -2.157 -12.120 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.501 -4.026 -14.518 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.475 -2.580 -14.361 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.418 -1.144 -14.490 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.542 -2.453 -14.178 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.779 -2.305 -16.654 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.418 -1.689 -16.595 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.695 -4.566 -15.925 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.155 -4.042 -17.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.079 -4.871 -16.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.257 -3.183 -16.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.814 -3.938 -15.072 1.00 0.00 H new ATOM 191 N TYR A 27 -0.839 -5.108 -12.253 1.00 0.00 N ATOM 192 CA TYR A 27 -2.001 -5.875 -11.821 1.00 0.00 C ATOM 193 C TYR A 27 -2.297 -5.645 -10.342 1.00 0.00 C ATOM 194 O TYR A 27 -3.435 -5.366 -9.965 1.00 0.00 O ATOM 195 CB TYR A 27 -1.768 -7.360 -12.077 1.00 0.00 C ATOM 196 CG TYR A 27 -2.992 -8.216 -11.861 1.00 0.00 C ATOM 197 CD1 TYR A 27 -4.161 -7.986 -12.576 1.00 0.00 C ATOM 198 CD2 TYR A 27 -2.979 -9.257 -10.945 1.00 0.00 C ATOM 199 CE1 TYR A 27 -5.280 -8.771 -12.383 1.00 0.00 C ATOM 200 CE2 TYR A 27 -4.094 -10.045 -10.747 1.00 0.00 C ATOM 201 CZ TYR A 27 -5.242 -9.800 -11.467 1.00 0.00 C ATOM 202 OH TYR A 27 -6.354 -10.592 -11.272 1.00 0.00 O ATOM 0 H TYR A 27 -0.124 -5.664 -12.722 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.862 -5.537 -12.397 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.420 -7.492 -13.102 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.971 -7.711 -11.422 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.195 -7.180 -13.294 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.082 -9.454 -10.377 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.181 -8.580 -12.947 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.067 -10.852 -10.029 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.157 -11.271 -10.593 1.00 0.00 H new ATOM 212 N GLN A 28 -1.265 -5.749 -9.513 1.00 0.00 N ATOM 213 CA GLN A 28 -1.417 -5.547 -8.080 1.00 0.00 C ATOM 214 C GLN A 28 -1.901 -4.134 -7.793 1.00 0.00 C ATOM 215 O GLN A 28 -2.832 -3.923 -7.016 1.00 0.00 O ATOM 216 CB GLN A 28 -0.085 -5.777 -7.378 1.00 0.00 C ATOM 217 CG GLN A 28 -0.133 -5.501 -5.884 1.00 0.00 C ATOM 218 CD GLN A 28 1.175 -5.823 -5.198 1.00 0.00 C ATOM 219 OE1 GLN A 28 1.566 -4.991 -4.247 1.00 0.00 O flip ATOM 220 NE2 GLN A 28 1.834 -6.804 -5.532 1.00 0.00 N flip ATOM 0 H GLN A 28 -0.315 -5.972 -9.810 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.153 -6.259 -7.707 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.229 -6.808 -7.539 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.672 -5.139 -7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.379 -4.452 -5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.932 -6.090 -5.433 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.494 -7.419 -6.271 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.721 -7.004 -5.070 1.00 0.00 H new ATOM 229 N THR A 29 -1.252 -3.178 -8.439 1.00 0.00 N ATOM 230 CA THR A 29 -1.583 -1.769 -8.280 1.00 0.00 C ATOM 231 C THR A 29 -3.045 -1.503 -8.641 1.00 0.00 C ATOM 232 O THR A 29 -3.769 -0.858 -7.886 1.00 0.00 O ATOM 233 CB THR A 29 -0.668 -0.889 -9.154 1.00 0.00 C ATOM 234 OG1 THR A 29 0.692 -1.352 -9.056 1.00 0.00 O ATOM 235 CG2 THR A 29 -0.738 0.570 -8.724 1.00 0.00 C ATOM 0 H THR A 29 -0.484 -3.355 -9.086 1.00 0.00 H new ATOM 0 HA THR A 29 -1.428 -1.513 -7.232 1.00 0.00 H new ATOM 0 HB THR A 29 -1.011 -0.963 -10.186 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.786 -2.198 -9.542 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.083 1.168 -9.358 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.763 0.929 -8.821 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.419 0.659 -7.686 1.00 0.00 H new ATOM 243 N LEU A 30 -3.474 -2.027 -9.786 1.00 0.00 N ATOM 244 CA LEU A 30 -4.846 -1.851 -10.250 1.00 0.00 C ATOM 245 C LEU A 30 -5.840 -2.450 -9.261 1.00 0.00 C ATOM 246 O LEU A 30 -6.817 -1.798 -8.882 1.00 0.00 O ATOM 247 CB LEU A 30 -5.034 -2.497 -11.624 1.00 0.00 C ATOM 248 CG LEU A 30 -4.239 -1.855 -12.758 1.00 0.00 C ATOM 249 CD1 LEU A 30 -4.276 -2.738 -13.993 1.00 0.00 C ATOM 250 CD2 LEU A 30 -4.785 -0.471 -13.077 1.00 0.00 C ATOM 0 H LEU A 30 -2.888 -2.579 -10.412 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.035 -0.780 -10.328 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.754 -3.548 -11.555 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.093 -2.466 -11.881 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.203 -1.749 -12.437 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.705 -2.268 -14.794 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.841 -3.709 -13.759 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.309 -2.871 -14.314 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.206 -0.029 -13.888 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.829 -0.553 -13.380 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.712 0.162 -12.192 1.00 0.00 H new ATOM 262 N GLU A 31 -5.581 -3.688 -8.848 1.00 0.00 N ATOM 263 CA GLU A 31 -6.443 -4.387 -7.899 1.00 0.00 C ATOM 264 C GLU A 31 -6.573 -3.591 -6.604 1.00 0.00 C ATOM 265 O GLU A 31 -7.678 -3.379 -6.098 1.00 0.00 O ATOM 266 CB GLU A 31 -5.878 -5.786 -7.613 1.00 0.00 C ATOM 267 CG GLU A 31 -6.700 -6.607 -6.628 1.00 0.00 C ATOM 268 CD GLU A 31 -8.035 -7.049 -7.196 1.00 0.00 C ATOM 269 OE1 GLU A 31 -8.048 -7.888 -8.121 1.00 0.00 O ATOM 270 OE2 GLU A 31 -9.080 -6.568 -6.713 1.00 0.00 O ATOM 0 H GLU A 31 -4.775 -4.231 -9.158 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.436 -4.489 -8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.805 -6.334 -8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.865 -5.683 -7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.129 -7.486 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.872 -6.018 -5.727 1.00 0.00 H new ATOM 277 N LEU A 32 -5.442 -3.129 -6.088 1.00 0.00 N ATOM 278 CA LEU A 32 -5.418 -2.354 -4.859 1.00 0.00 C ATOM 279 C LEU A 32 -6.177 -1.043 -5.028 1.00 0.00 C ATOM 280 O LEU A 32 -6.915 -0.629 -4.137 1.00 0.00 O ATOM 281 CB LEU A 32 -3.973 -2.081 -4.437 1.00 0.00 C ATOM 282 CG LEU A 32 -3.248 -3.269 -3.801 1.00 0.00 C ATOM 283 CD1 LEU A 32 -1.796 -2.918 -3.513 1.00 0.00 C ATOM 284 CD2 LEU A 32 -3.955 -3.698 -2.525 1.00 0.00 C ATOM 0 H LEU A 32 -4.524 -3.280 -6.506 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.911 -2.933 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.410 -1.758 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.968 -1.251 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.266 -4.101 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.297 -3.775 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.294 -2.655 -4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.755 -2.072 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.428 -4.544 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.965 -2.868 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.979 -3.990 -2.757 1.00 0.00 H new ATOM 296 N GLU A 33 -5.999 -0.400 -6.177 1.00 0.00 N ATOM 297 CA GLU A 33 -6.661 0.850 -6.470 1.00 0.00 C ATOM 298 C GLU A 33 -8.174 0.656 -6.536 1.00 0.00 C ATOM 299 O GLU A 33 -8.943 1.486 -6.048 1.00 0.00 O ATOM 300 CB GLU A 33 -6.142 1.384 -7.799 1.00 0.00 C ATOM 301 CG GLU A 33 -5.016 2.392 -7.662 1.00 0.00 C ATOM 302 CD GLU A 33 -4.567 2.943 -9.001 1.00 0.00 C ATOM 303 OE1 GLU A 33 -4.238 2.144 -9.900 1.00 0.00 O ATOM 304 OE2 GLU A 33 -4.558 4.182 -9.172 1.00 0.00 O ATOM 0 H GLU A 33 -5.392 -0.736 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.447 1.565 -5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.795 0.547 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.967 1.848 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.343 3.214 -7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.169 1.921 -7.164 1.00 0.00 H new ATOM 311 N LYS A 34 -8.586 -0.455 -7.135 1.00 0.00 N ATOM 312 CA LYS A 34 -10.000 -0.774 -7.274 1.00 0.00 C ATOM 313 C LYS A 34 -10.608 -1.087 -5.911 1.00 0.00 C ATOM 314 O LYS A 34 -11.692 -0.601 -5.578 1.00 0.00 O ATOM 315 CB LYS A 34 -10.179 -1.960 -8.223 1.00 0.00 C ATOM 316 CG LYS A 34 -11.628 -2.282 -8.546 1.00 0.00 C ATOM 317 CD LYS A 34 -11.726 -3.233 -9.724 1.00 0.00 C ATOM 318 CE LYS A 34 -13.136 -3.768 -9.897 1.00 0.00 C ATOM 319 NZ LYS A 34 -13.494 -4.754 -8.843 1.00 0.00 N ATOM 0 H LYS A 34 -7.957 -1.152 -7.533 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.516 0.090 -7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.648 -1.752 -9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.712 -2.840 -7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.108 -2.727 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.167 -1.362 -8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.418 -2.718 -10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.036 -4.065 -9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.843 -2.939 -9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.228 -4.236 -10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.383 -5.229 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.736 -5.460 -8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.614 -4.263 -7.934 1.00 0.00 H new ATOM 333 N GLU A 35 -9.895 -1.890 -5.131 1.00 0.00 N ATOM 334 CA GLU A 35 -10.339 -2.272 -3.796 1.00 0.00 C ATOM 335 C GLU A 35 -10.455 -1.042 -2.903 1.00 0.00 C ATOM 336 O GLU A 35 -11.421 -0.893 -2.167 1.00 0.00 O ATOM 337 CB GLU A 35 -9.354 -3.270 -3.185 1.00 0.00 C ATOM 338 CG GLU A 35 -9.872 -3.974 -1.942 1.00 0.00 C ATOM 339 CD GLU A 35 -11.041 -4.884 -2.243 1.00 0.00 C ATOM 340 OE1 GLU A 35 -10.838 -5.917 -2.917 1.00 0.00 O ATOM 341 OE2 GLU A 35 -12.167 -4.573 -1.814 1.00 0.00 O ATOM 0 H GLU A 35 -8.998 -2.293 -5.403 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.320 -2.740 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.101 -4.020 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.432 -2.746 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.067 -4.557 -1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.174 -3.230 -1.205 1.00 0.00 H new ATOM 348 N PHE A 36 -9.464 -0.163 -2.996 1.00 0.00 N ATOM 349 CA PHE A 36 -9.418 1.067 -2.213 1.00 0.00 C ATOM 350 C PHE A 36 -10.662 1.930 -2.428 1.00 0.00 C ATOM 351 O PHE A 36 -11.339 2.324 -1.479 1.00 0.00 O ATOM 352 CB PHE A 36 -8.164 1.857 -2.606 1.00 0.00 C ATOM 353 CG PHE A 36 -8.170 3.286 -2.155 1.00 0.00 C ATOM 354 CD1 PHE A 36 -8.495 3.599 -0.852 1.00 0.00 C ATOM 355 CD2 PHE A 36 -7.853 4.309 -3.033 1.00 0.00 C ATOM 356 CE1 PHE A 36 -8.505 4.910 -0.421 1.00 0.00 C ATOM 357 CE2 PHE A 36 -7.859 5.625 -2.611 1.00 0.00 C ATOM 358 CZ PHE A 36 -8.185 5.926 -1.301 1.00 0.00 C ATOM 0 H PHE A 36 -8.666 -0.284 -3.620 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.387 0.800 -1.157 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.289 1.360 -2.187 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.057 1.831 -3.690 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.745 2.808 -0.160 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.599 4.076 -4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.762 5.141 0.602 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.610 6.416 -3.302 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.189 6.953 -0.967 1.00 0.00 H new ATOM 368 N LEU A 37 -10.944 2.216 -3.683 1.00 0.00 N ATOM 369 CA LEU A 37 -12.079 3.051 -4.061 1.00 0.00 C ATOM 370 C LEU A 37 -13.407 2.421 -3.658 1.00 0.00 C ATOM 371 O LEU A 37 -14.380 3.119 -3.374 1.00 0.00 O ATOM 372 CB LEU A 37 -12.051 3.306 -5.565 1.00 0.00 C ATOM 373 CG LEU A 37 -11.114 4.433 -6.011 1.00 0.00 C ATOM 374 CD1 LEU A 37 -10.902 4.397 -7.516 1.00 0.00 C ATOM 375 CD2 LEU A 37 -11.673 5.782 -5.587 1.00 0.00 C ATOM 0 H LEU A 37 -10.396 1.879 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.992 3.997 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.755 2.386 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.062 3.541 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.148 4.286 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.233 5.207 -7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.460 3.441 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.860 4.517 -8.021 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.997 6.574 -5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.651 5.931 -6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.772 5.810 -4.502 1.00 0.00 H new ATOM 387 N PHE A 38 -13.441 1.106 -3.647 1.00 0.00 N ATOM 388 CA PHE A 38 -14.640 0.376 -3.270 1.00 0.00 C ATOM 389 C PHE A 38 -14.762 0.312 -1.754 1.00 0.00 C ATOM 390 O PHE A 38 -15.800 0.643 -1.179 1.00 0.00 O ATOM 391 CB PHE A 38 -14.587 -1.039 -3.838 1.00 0.00 C ATOM 392 CG PHE A 38 -15.919 -1.555 -4.300 1.00 0.00 C ATOM 393 CD1 PHE A 38 -16.806 -2.130 -3.404 1.00 0.00 C ATOM 394 CD2 PHE A 38 -16.286 -1.463 -5.633 1.00 0.00 C ATOM 395 CE1 PHE A 38 -18.031 -2.604 -3.827 1.00 0.00 C ATOM 396 CE2 PHE A 38 -17.510 -1.936 -6.062 1.00 0.00 C ATOM 397 CZ PHE A 38 -18.384 -2.507 -5.159 1.00 0.00 C ATOM 0 H PHE A 38 -12.648 0.514 -3.896 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.508 0.896 -3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.890 -1.059 -4.675 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.191 -1.712 -3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.535 -2.208 -2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.607 -1.016 -6.344 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -18.713 -3.050 -3.118 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -17.784 -1.859 -7.104 1.00 0.00 H new ATOM 0 HZ PHE A 38 -19.342 -2.877 -5.493 1.00 0.00 H new ATOM 407 N ASN A 39 -13.682 -0.108 -1.123 1.00 0.00 N ATOM 408 CA ASN A 39 -13.623 -0.249 0.324 1.00 0.00 C ATOM 409 C ASN A 39 -12.305 0.301 0.841 1.00 0.00 C ATOM 410 O ASN A 39 -11.278 -0.373 0.790 1.00 0.00 O ATOM 411 CB ASN A 39 -13.758 -1.721 0.747 1.00 0.00 C ATOM 412 CG ASN A 39 -14.784 -2.484 -0.066 1.00 0.00 C ATOM 413 OD1 ASN A 39 -14.340 -3.080 -1.163 1.00 0.00 O flip ATOM 414 ND2 ASN A 39 -15.960 -2.555 0.296 1.00 0.00 N flip ATOM 0 H ASN A 39 -12.817 -0.363 -1.599 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.455 0.312 0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.789 -2.211 0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.033 -1.766 1.801 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -16.261 -2.081 1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -16.632 -3.088 -0.256 1.00 0.00 H new ATOM 421 N MET A 40 -12.349 1.535 1.319 1.00 0.00 N ATOM 422 CA MET A 40 -11.181 2.209 1.868 1.00 0.00 C ATOM 423 C MET A 40 -10.549 1.370 2.969 1.00 0.00 C ATOM 424 O MET A 40 -9.333 1.386 3.163 1.00 0.00 O ATOM 425 CB MET A 40 -11.577 3.574 2.420 1.00 0.00 C ATOM 426 CG MET A 40 -11.917 4.603 1.357 1.00 0.00 C ATOM 427 SD MET A 40 -13.464 4.246 0.493 1.00 0.00 S ATOM 428 CE MET A 40 -14.630 4.301 1.850 1.00 0.00 C ATOM 0 H MET A 40 -13.198 2.100 1.337 1.00 0.00 H new ATOM 0 HA MET A 40 -10.452 2.343 1.069 1.00 0.00 H new ATOM 0 HB2 MET A 40 -12.437 3.451 3.078 1.00 0.00 H new ATOM 0 HB3 MET A 40 -10.760 3.957 3.031 1.00 0.00 H new ATOM 0 HG2 MET A 40 -11.986 5.587 1.821 1.00 0.00 H new ATOM 0 HG3 MET A 40 -11.105 4.649 0.631 1.00 0.00 H new ATOM 0 HE1 MET A 40 -15.628 4.509 1.464 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.633 3.341 2.366 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.340 5.087 2.547 1.00 0.00 H new ATOM 438 N TYR A 41 -11.387 0.659 3.704 1.00 0.00 N ATOM 439 CA TYR A 41 -10.913 -0.216 4.763 1.00 0.00 C ATOM 440 C TYR A 41 -11.423 -1.623 4.550 1.00 0.00 C ATOM 441 O TYR A 41 -12.546 -1.841 4.094 1.00 0.00 O ATOM 442 CB TYR A 41 -11.328 0.292 6.139 1.00 0.00 C ATOM 443 CG TYR A 41 -11.014 -0.638 7.296 1.00 0.00 C ATOM 444 CD1 TYR A 41 -9.711 -0.810 7.746 1.00 0.00 C ATOM 445 CD2 TYR A 41 -12.027 -1.332 7.949 1.00 0.00 C ATOM 446 CE1 TYR A 41 -9.426 -1.650 8.807 1.00 0.00 C ATOM 447 CE2 TYR A 41 -11.751 -2.173 9.009 1.00 0.00 C ATOM 448 CZ TYR A 41 -10.449 -2.329 9.436 1.00 0.00 C ATOM 449 OH TYR A 41 -10.169 -3.168 10.493 1.00 0.00 O ATOM 0 H TYR A 41 -12.400 0.670 3.587 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.824 -0.221 4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -10.836 1.248 6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.401 0.483 6.129 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.907 -0.279 7.259 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.049 -1.211 7.621 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.407 -1.774 9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.551 -2.706 9.501 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.761 -2.956 11.245 1.00 0.00 H new ATOM 459 N LEU A 42 -10.580 -2.563 4.898 1.00 0.00 N ATOM 460 CA LEU A 42 -10.867 -3.964 4.757 1.00 0.00 C ATOM 461 C LEU A 42 -10.782 -4.635 6.105 1.00 0.00 C ATOM 462 O LEU A 42 -10.089 -4.163 7.001 1.00 0.00 O ATOM 463 CB LEU A 42 -9.862 -4.639 3.825 1.00 0.00 C ATOM 464 CG LEU A 42 -9.744 -4.073 2.404 1.00 0.00 C ATOM 465 CD1 LEU A 42 -11.117 -3.904 1.767 1.00 0.00 C ATOM 466 CD2 LEU A 42 -8.969 -2.764 2.389 1.00 0.00 C ATOM 0 H LEU A 42 -9.660 -2.370 5.294 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.869 -4.061 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.879 -4.589 4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.125 -5.694 3.749 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.183 -4.793 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.004 -3.501 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.616 -4.872 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.715 -3.218 2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.904 -2.391 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.482 -2.030 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.965 -2.931 2.778 1.00 0.00 H new ATOM 478 N THR A 43 -11.474 -5.738 6.228 1.00 0.00 N ATOM 479 CA THR A 43 -11.477 -6.510 7.450 1.00 0.00 C ATOM 480 C THR A 43 -10.162 -7.269 7.592 1.00 0.00 C ATOM 481 O THR A 43 -9.365 -7.306 6.655 1.00 0.00 O ATOM 482 CB THR A 43 -12.651 -7.499 7.458 1.00 0.00 C ATOM 483 OG1 THR A 43 -13.460 -7.303 6.286 1.00 0.00 O ATOM 484 CG2 THR A 43 -13.499 -7.308 8.701 1.00 0.00 C ATOM 0 H THR A 43 -12.053 -6.129 5.485 1.00 0.00 H new ATOM 0 HA THR A 43 -11.589 -5.826 8.291 1.00 0.00 H new ATOM 0 HB THR A 43 -12.252 -8.513 7.459 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.207 -7.937 6.294 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.326 -8.017 8.690 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.888 -7.477 9.588 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.893 -6.292 8.720 1.00 0.00 H new ATOM 492 N ARG A 44 -9.947 -7.880 8.750 1.00 0.00 N ATOM 493 CA ARG A 44 -8.722 -8.627 9.012 1.00 0.00 C ATOM 494 C ARG A 44 -8.550 -9.760 8.007 1.00 0.00 C ATOM 495 O ARG A 44 -7.504 -9.884 7.368 1.00 0.00 O ATOM 496 CB ARG A 44 -8.738 -9.185 10.438 1.00 0.00 C ATOM 497 CG ARG A 44 -8.233 -8.202 11.491 1.00 0.00 C ATOM 498 CD ARG A 44 -9.222 -7.068 11.734 1.00 0.00 C ATOM 499 NE ARG A 44 -10.556 -7.571 12.054 1.00 0.00 N ATOM 500 CZ ARG A 44 -11.675 -6.849 11.978 1.00 0.00 C ATOM 501 NH1 ARG A 44 -11.627 -5.561 11.666 1.00 0.00 N ATOM 502 NH2 ARG A 44 -12.844 -7.420 12.230 1.00 0.00 N ATOM 0 H ARG A 44 -10.608 -7.873 9.527 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.878 -7.945 8.906 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -9.756 -9.482 10.690 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -8.125 -10.086 10.472 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.053 -8.733 12.426 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.277 -7.787 11.171 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.864 -6.442 12.551 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.275 -6.436 10.848 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.637 -8.542 12.357 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.729 -5.114 11.482 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.488 -5.017 11.610 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.886 -8.408 12.481 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.702 -6.872 12.173 1.00 0.00 H new ATOM 516 N ASP A 45 -9.589 -10.569 7.858 1.00 0.00 N ATOM 517 CA ASP A 45 -9.561 -11.691 6.925 1.00 0.00 C ATOM 518 C ASP A 45 -9.497 -11.195 5.495 1.00 0.00 C ATOM 519 O ASP A 45 -8.747 -11.722 4.676 1.00 0.00 O ATOM 520 CB ASP A 45 -10.793 -12.572 7.101 1.00 0.00 C ATOM 521 CG ASP A 45 -10.710 -13.844 6.283 1.00 0.00 C ATOM 522 OD1 ASP A 45 -9.950 -14.755 6.676 1.00 0.00 O ATOM 523 OD2 ASP A 45 -11.413 -13.949 5.254 1.00 0.00 O ATOM 0 H ASP A 45 -10.465 -10.471 8.372 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.669 -12.280 7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.908 -12.827 8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.682 -12.012 6.810 1.00 0.00 H new ATOM 528 N ARG A 46 -10.295 -10.183 5.211 1.00 0.00 N ATOM 529 CA ARG A 46 -10.338 -9.586 3.883 1.00 0.00 C ATOM 530 C ARG A 46 -8.954 -9.088 3.482 1.00 0.00 C ATOM 531 O ARG A 46 -8.489 -9.351 2.374 1.00 0.00 O ATOM 532 CB ARG A 46 -11.349 -8.435 3.851 1.00 0.00 C ATOM 533 CG ARG A 46 -11.458 -7.752 2.496 1.00 0.00 C ATOM 534 CD ARG A 46 -12.298 -8.564 1.523 1.00 0.00 C ATOM 535 NE ARG A 46 -13.718 -8.536 1.875 1.00 0.00 N ATOM 536 CZ ARG A 46 -14.626 -9.380 1.386 1.00 0.00 C ATOM 537 NH1 ARG A 46 -14.269 -10.337 0.539 1.00 0.00 N ATOM 538 NH2 ARG A 46 -15.893 -9.261 1.757 1.00 0.00 N ATOM 0 H ARG A 46 -10.928 -9.752 5.885 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.654 -10.346 3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.330 -8.817 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.066 -7.694 4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.900 -6.764 2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.461 -7.605 2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.166 -8.172 0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.946 -9.596 1.513 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.033 -7.826 2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.293 -10.431 0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.970 -10.979 0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.166 -8.528 2.412 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.595 -9.902 1.388 1.00 0.00 H new ATOM 552 N ARG A 47 -8.293 -8.384 4.393 1.00 0.00 N ATOM 553 CA ARG A 47 -6.957 -7.868 4.136 1.00 0.00 C ATOM 554 C ARG A 47 -5.986 -9.025 3.942 1.00 0.00 C ATOM 555 O ARG A 47 -5.129 -8.982 3.063 1.00 0.00 O ATOM 556 CB ARG A 47 -6.488 -6.980 5.291 1.00 0.00 C ATOM 557 CG ARG A 47 -5.073 -6.452 5.123 1.00 0.00 C ATOM 558 CD ARG A 47 -4.581 -5.770 6.388 1.00 0.00 C ATOM 559 NE ARG A 47 -5.244 -4.486 6.619 1.00 0.00 N ATOM 560 CZ ARG A 47 -5.556 -4.017 7.825 1.00 0.00 C ATOM 561 NH1 ARG A 47 -5.282 -4.723 8.916 1.00 0.00 N ATOM 562 NH2 ARG A 47 -6.131 -2.829 7.936 1.00 0.00 N ATOM 0 H ARG A 47 -8.662 -8.158 5.317 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.986 -7.265 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.171 -6.136 5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.546 -7.547 6.220 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.404 -7.274 4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.043 -5.747 4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.754 -6.425 7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.504 -5.614 6.319 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.481 -3.916 5.807 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.829 -5.633 8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.525 -4.355 9.836 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.332 -2.280 7.100 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.373 -2.464 8.857 1.00 0.00 H new ATOM 576 N TYR A 48 -6.136 -10.057 4.764 1.00 0.00 N ATOM 577 CA TYR A 48 -5.287 -11.238 4.682 1.00 0.00 C ATOM 578 C TYR A 48 -5.465 -11.927 3.332 1.00 0.00 C ATOM 579 O TYR A 48 -4.496 -12.371 2.721 1.00 0.00 O ATOM 580 CB TYR A 48 -5.623 -12.207 5.821 1.00 0.00 C ATOM 581 CG TYR A 48 -4.710 -13.410 5.905 1.00 0.00 C ATOM 582 CD1 TYR A 48 -3.452 -13.311 6.484 1.00 0.00 C ATOM 583 CD2 TYR A 48 -5.109 -14.645 5.409 1.00 0.00 C ATOM 584 CE1 TYR A 48 -2.618 -14.409 6.565 1.00 0.00 C ATOM 585 CE2 TYR A 48 -4.280 -15.746 5.486 1.00 0.00 C ATOM 586 CZ TYR A 48 -3.037 -15.624 6.064 1.00 0.00 C ATOM 587 OH TYR A 48 -2.212 -16.720 6.140 1.00 0.00 O ATOM 0 H TYR A 48 -6.842 -10.099 5.499 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.246 -10.929 4.779 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.580 -11.666 6.767 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.649 -12.552 5.697 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.121 -12.361 6.877 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.084 -14.745 4.956 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.642 -14.317 7.019 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.605 -16.699 5.095 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.660 -17.495 5.742 1.00 0.00 H new ATOM 597 N GLU A 49 -6.708 -11.999 2.869 1.00 0.00 N ATOM 598 CA GLU A 49 -7.013 -12.629 1.591 1.00 0.00 C ATOM 599 C GLU A 49 -6.412 -11.827 0.456 1.00 0.00 C ATOM 600 O GLU A 49 -5.726 -12.377 -0.403 1.00 0.00 O ATOM 601 CB GLU A 49 -8.521 -12.746 1.403 1.00 0.00 C ATOM 602 CG GLU A 49 -8.927 -13.759 0.348 1.00 0.00 C ATOM 603 CD GLU A 49 -10.426 -13.948 0.285 1.00 0.00 C ATOM 604 OE1 GLU A 49 -10.991 -14.545 1.227 1.00 0.00 O ATOM 605 OE2 GLU A 49 -11.052 -13.491 -0.692 1.00 0.00 O ATOM 0 H GLU A 49 -7.521 -11.628 3.361 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.580 -13.629 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.977 -13.022 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.921 -11.770 1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.562 -13.433 -0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.451 -14.716 0.563 1.00 0.00 H new ATOM 612 N VAL A 50 -6.678 -10.530 0.459 1.00 0.00 N ATOM 613 CA VAL A 50 -6.143 -9.643 -0.562 1.00 0.00 C ATOM 614 C VAL A 50 -4.623 -9.757 -0.591 1.00 0.00 C ATOM 615 O VAL A 50 -4.010 -9.855 -1.656 1.00 0.00 O ATOM 616 CB VAL A 50 -6.566 -8.177 -0.315 1.00 0.00 C ATOM 617 CG1 VAL A 50 -5.825 -7.230 -1.244 1.00 0.00 C ATOM 618 CG2 VAL A 50 -8.070 -8.021 -0.489 1.00 0.00 C ATOM 0 H VAL A 50 -7.261 -10.068 1.157 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.550 -9.945 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.303 -7.919 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.142 -6.206 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.752 -7.317 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.048 -7.487 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.351 -6.983 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.350 -8.304 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.587 -8.664 0.223 1.00 0.00 H new ATOM 628 N ALA A 51 -4.027 -9.776 0.596 1.00 0.00 N ATOM 629 CA ALA A 51 -2.588 -9.910 0.730 1.00 0.00 C ATOM 630 C ALA A 51 -2.121 -11.243 0.162 1.00 0.00 C ATOM 631 O ALA A 51 -1.137 -11.307 -0.571 1.00 0.00 O ATOM 632 CB ALA A 51 -2.184 -9.797 2.189 1.00 0.00 C ATOM 0 H ALA A 51 -4.525 -9.699 1.483 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.113 -9.106 0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.102 -9.899 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.489 -8.825 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.670 -10.586 2.763 1.00 0.00 H new ATOM 638 N ARG A 52 -2.852 -12.301 0.492 1.00 0.00 N ATOM 639 CA ARG A 52 -2.537 -13.642 0.028 1.00 0.00 C ATOM 640 C ARG A 52 -2.577 -13.703 -1.491 1.00 0.00 C ATOM 641 O ARG A 52 -1.668 -14.233 -2.131 1.00 0.00 O ATOM 642 CB ARG A 52 -3.546 -14.626 0.611 1.00 0.00 C ATOM 643 CG ARG A 52 -2.984 -16.016 0.848 1.00 0.00 C ATOM 644 CD ARG A 52 -2.852 -16.797 -0.451 1.00 0.00 C ATOM 645 NE ARG A 52 -1.835 -17.837 -0.361 1.00 0.00 N ATOM 646 CZ ARG A 52 -0.791 -17.927 -1.178 1.00 0.00 C ATOM 647 NH1 ARG A 52 -0.631 -17.046 -2.160 1.00 0.00 N ATOM 648 NH2 ARG A 52 0.092 -18.897 -1.014 1.00 0.00 N ATOM 0 H ARG A 52 -3.678 -12.251 1.088 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.532 -13.906 0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.920 -14.230 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.398 -14.700 -0.064 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.008 -15.937 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.633 -16.559 1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.812 -17.249 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.601 -16.113 -1.262 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.930 -18.538 0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.311 -16.297 -2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.172 -17.119 -2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.029 -19.575 -0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.894 -18.968 -1.640 1.00 0.00 H new ATOM 662 N VAL A 53 -3.647 -13.162 -2.050 1.00 0.00 N ATOM 663 CA VAL A 53 -3.833 -13.136 -3.500 1.00 0.00 C ATOM 664 C VAL A 53 -2.698 -12.373 -4.195 1.00 0.00 C ATOM 665 O VAL A 53 -2.301 -12.709 -5.313 1.00 0.00 O ATOM 666 CB VAL A 53 -5.197 -12.507 -3.877 1.00 0.00 C ATOM 667 CG1 VAL A 53 -5.353 -12.393 -5.386 1.00 0.00 C ATOM 668 CG2 VAL A 53 -6.338 -13.324 -3.294 1.00 0.00 C ATOM 0 H VAL A 53 -4.406 -12.732 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.817 -14.170 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.229 -11.502 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.320 -11.948 -5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.558 -11.764 -5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.293 -13.385 -5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.289 -12.868 -3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.296 -14.340 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.248 -13.351 -2.208 1.00 0.00 H new ATOM 678 N LEU A 54 -2.162 -11.363 -3.521 1.00 0.00 N ATOM 679 CA LEU A 54 -1.080 -10.562 -4.076 1.00 0.00 C ATOM 680 C LEU A 54 0.289 -11.123 -3.692 1.00 0.00 C ATOM 681 O LEU A 54 1.319 -10.512 -3.990 1.00 0.00 O ATOM 682 CB LEU A 54 -1.196 -9.123 -3.580 1.00 0.00 C ATOM 683 CG LEU A 54 -2.482 -8.396 -3.974 1.00 0.00 C ATOM 684 CD1 LEU A 54 -2.518 -7.008 -3.361 1.00 0.00 C ATOM 685 CD2 LEU A 54 -2.611 -8.313 -5.486 1.00 0.00 C ATOM 0 H LEU A 54 -2.460 -11.079 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.167 -10.591 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.117 -9.124 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.347 -8.556 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.328 -8.966 -3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.440 -6.505 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.476 -7.089 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.663 -6.432 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.533 -7.792 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.760 -7.768 -5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.633 -9.319 -5.905 1.00 0.00 H new ATOM 697 N ASN A 55 0.293 -12.284 -3.033 1.00 0.00 N ATOM 698 CA ASN A 55 1.525 -12.942 -2.592 1.00 0.00 C ATOM 699 C ASN A 55 2.297 -12.034 -1.629 1.00 0.00 C ATOM 700 O ASN A 55 3.529 -11.966 -1.645 1.00 0.00 O ATOM 701 CB ASN A 55 2.371 -13.297 -3.815 1.00 0.00 C ATOM 702 CG ASN A 55 3.564 -14.181 -3.492 1.00 0.00 C ATOM 703 OD1 ASN A 55 3.490 -15.050 -2.625 1.00 0.00 O ATOM 704 ND2 ASN A 55 4.669 -13.971 -4.193 1.00 0.00 N ATOM 0 H ASN A 55 -0.556 -12.794 -2.790 1.00 0.00 H new ATOM 0 HA ASN A 55 1.280 -13.859 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.742 -13.803 -4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.726 -12.378 -4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.498 -14.540 -4.021 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.691 -13.240 -4.904 1.00 0.00 H new ATOM 711 N LEU A 56 1.549 -11.340 -0.788 1.00 0.00 N ATOM 712 CA LEU A 56 2.119 -10.413 0.179 1.00 0.00 C ATOM 713 C LEU A 56 1.558 -10.658 1.575 1.00 0.00 C ATOM 714 O LEU A 56 0.862 -11.647 1.820 1.00 0.00 O ATOM 715 CB LEU A 56 1.801 -8.977 -0.231 1.00 0.00 C ATOM 716 CG LEU A 56 2.412 -8.515 -1.554 1.00 0.00 C ATOM 717 CD1 LEU A 56 1.848 -7.160 -1.939 1.00 0.00 C ATOM 718 CD2 LEU A 56 3.929 -8.449 -1.452 1.00 0.00 C ATOM 0 H LEU A 56 0.531 -11.402 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 56 3.197 -10.572 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.718 -8.868 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.143 -8.309 0.559 1.00 0.00 H new ATOM 0 HG LEU A 56 2.155 -9.238 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.288 -6.837 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.766 -7.234 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.084 -6.433 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.344 -8.118 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.211 -7.745 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.321 -9.437 -1.209 1.00 0.00 H new ATOM 730 N THR A 57 1.880 -9.749 2.482 1.00 0.00 N ATOM 731 CA THR A 57 1.410 -9.818 3.852 1.00 0.00 C ATOM 732 C THR A 57 0.377 -8.722 4.097 1.00 0.00 C ATOM 733 O THR A 57 0.146 -7.872 3.232 1.00 0.00 O ATOM 734 CB THR A 57 2.573 -9.657 4.847 1.00 0.00 C ATOM 735 OG1 THR A 57 3.455 -8.625 4.390 1.00 0.00 O ATOM 736 CG2 THR A 57 3.343 -10.957 5.001 1.00 0.00 C ATOM 0 H THR A 57 2.475 -8.944 2.287 1.00 0.00 H new ATOM 0 HA THR A 57 0.957 -10.797 4.007 1.00 0.00 H new ATOM 0 HB THR A 57 2.160 -9.387 5.819 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.627 -7.994 5.120 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.159 -10.815 5.710 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.674 -11.735 5.369 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.749 -11.256 4.035 1.00 0.00 H new ATOM 744 N GLU A 58 -0.224 -8.726 5.276 1.00 0.00 N ATOM 745 CA GLU A 58 -1.239 -7.740 5.625 1.00 0.00 C ATOM 746 C GLU A 58 -0.622 -6.351 5.702 1.00 0.00 C ATOM 747 O GLU A 58 -1.262 -5.348 5.373 1.00 0.00 O ATOM 748 CB GLU A 58 -1.896 -8.104 6.955 1.00 0.00 C ATOM 749 CG GLU A 58 -2.728 -9.375 6.897 1.00 0.00 C ATOM 750 CD GLU A 58 -2.879 -10.026 8.254 1.00 0.00 C ATOM 751 OE1 GLU A 58 -3.719 -9.564 9.053 1.00 0.00 O ATOM 752 OE2 GLU A 58 -2.144 -10.995 8.537 1.00 0.00 O ATOM 0 H GLU A 58 -0.026 -9.404 6.012 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.004 -7.738 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.121 -8.221 7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.532 -7.278 7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.715 -9.142 6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.262 -10.080 6.208 1.00 0.00 H new ATOM 759 N ARG A 59 0.631 -6.308 6.130 1.00 0.00 N ATOM 760 CA ARG A 59 1.366 -5.059 6.248 1.00 0.00 C ATOM 761 C ARG A 59 1.476 -4.361 4.899 1.00 0.00 C ATOM 762 O ARG A 59 1.357 -3.136 4.815 1.00 0.00 O ATOM 763 CB ARG A 59 2.762 -5.326 6.821 1.00 0.00 C ATOM 764 CG ARG A 59 3.779 -4.238 6.503 1.00 0.00 C ATOM 765 CD ARG A 59 5.208 -4.731 6.675 1.00 0.00 C ATOM 766 NE ARG A 59 5.474 -5.942 5.902 1.00 0.00 N ATOM 767 CZ ARG A 59 5.930 -7.080 6.433 1.00 0.00 C ATOM 768 NH1 ARG A 59 6.197 -7.155 7.734 1.00 0.00 N ATOM 769 NH2 ARG A 59 6.132 -8.141 5.661 1.00 0.00 N ATOM 0 H ARG A 59 1.164 -7.134 6.404 1.00 0.00 H new ATOM 0 HA ARG A 59 0.820 -4.402 6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.685 -5.433 7.903 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.128 -6.276 6.432 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.634 -3.894 5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.610 -3.381 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.900 -3.947 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.398 -4.927 7.730 1.00 0.00 H new ATOM 0 HE ARG A 59 5.301 -5.917 4.897 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.054 -6.341 8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.545 -8.026 8.134 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.939 -8.088 4.661 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.480 -9.009 6.068 1.00 0.00 H new ATOM 783 N GLN A 60 1.673 -5.142 3.843 1.00 0.00 N ATOM 784 CA GLN A 60 1.815 -4.577 2.505 1.00 0.00 C ATOM 785 C GLN A 60 0.555 -3.813 2.111 1.00 0.00 C ATOM 786 O GLN A 60 0.620 -2.736 1.520 1.00 0.00 O ATOM 787 CB GLN A 60 2.082 -5.674 1.473 1.00 0.00 C ATOM 788 CG GLN A 60 3.039 -6.760 1.937 1.00 0.00 C ATOM 789 CD GLN A 60 4.460 -6.278 2.097 1.00 0.00 C ATOM 790 OE1 GLN A 60 4.902 -5.971 3.204 1.00 0.00 O ATOM 791 NE2 GLN A 60 5.185 -6.198 0.993 1.00 0.00 N ATOM 0 H GLN A 60 1.738 -6.159 3.885 1.00 0.00 H new ATOM 0 HA GLN A 60 2.664 -3.893 2.523 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.133 -6.136 1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.484 -5.215 0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.689 -7.160 2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.020 -7.581 1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.779 -6.463 0.096 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.150 -5.872 1.039 1.00 0.00 H new ATOM 800 N VAL A 61 -0.587 -4.376 2.470 1.00 0.00 N ATOM 801 CA VAL A 61 -1.875 -3.777 2.144 1.00 0.00 C ATOM 802 C VAL A 61 -2.188 -2.592 3.055 1.00 0.00 C ATOM 803 O VAL A 61 -2.685 -1.562 2.601 1.00 0.00 O ATOM 804 CB VAL A 61 -3.014 -4.817 2.250 1.00 0.00 C ATOM 805 CG1 VAL A 61 -4.337 -4.227 1.783 1.00 0.00 C ATOM 806 CG2 VAL A 61 -2.675 -6.067 1.452 1.00 0.00 C ATOM 0 H VAL A 61 -0.650 -5.251 2.990 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.808 -3.421 1.116 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.119 -5.095 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.121 -4.979 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.591 -3.367 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.248 -3.912 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.489 -6.786 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.535 -5.803 0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.757 -6.509 1.840 1.00 0.00 H new ATOM 816 N LYS A 62 -1.870 -2.735 4.335 1.00 0.00 N ATOM 817 CA LYS A 62 -2.153 -1.696 5.321 1.00 0.00 C ATOM 818 C LYS A 62 -1.434 -0.388 5.019 1.00 0.00 C ATOM 819 O LYS A 62 -2.047 0.676 5.032 1.00 0.00 O ATOM 820 CB LYS A 62 -1.746 -2.174 6.710 1.00 0.00 C ATOM 821 CG LYS A 62 -2.687 -1.713 7.806 1.00 0.00 C ATOM 822 CD LYS A 62 -2.266 -2.243 9.164 1.00 0.00 C ATOM 823 CE LYS A 62 -3.203 -1.769 10.259 1.00 0.00 C ATOM 824 NZ LYS A 62 -2.798 -2.284 11.589 1.00 0.00 N ATOM 0 H LYS A 62 -1.414 -3.563 4.718 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.225 -1.505 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.703 -3.263 6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.741 -1.814 6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.711 -0.624 7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.700 -2.049 7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.251 -3.333 9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.250 -1.915 9.385 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.217 -0.679 10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.218 -2.096 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.462 -1.939 12.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.809 -3.324 11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.839 -1.951 11.813 1.00 0.00 H new ATOM 838 N ILE A 63 -0.144 -0.468 4.727 1.00 0.00 N ATOM 839 CA ILE A 63 0.644 0.725 4.438 1.00 0.00 C ATOM 840 C ILE A 63 0.200 1.383 3.135 1.00 0.00 C ATOM 841 O ILE A 63 0.082 2.608 3.062 1.00 0.00 O ATOM 842 CB ILE A 63 2.162 0.409 4.397 1.00 0.00 C ATOM 843 CG1 ILE A 63 2.743 0.402 5.814 1.00 0.00 C ATOM 844 CG2 ILE A 63 2.915 1.416 3.536 1.00 0.00 C ATOM 845 CD1 ILE A 63 2.413 -0.838 6.612 1.00 0.00 C ATOM 0 H ILE A 63 0.379 -1.342 4.684 1.00 0.00 H new ATOM 0 HA ILE A 63 0.468 1.429 5.252 1.00 0.00 H new ATOM 0 HB ILE A 63 2.283 -0.579 3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.827 0.502 5.751 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.373 1.275 6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.976 1.166 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.527 1.386 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.781 2.417 3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.862 -0.763 7.603 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.331 -0.931 6.709 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.808 -1.716 6.100 1.00 0.00 H new ATOM 857 N TRP A 64 -0.069 0.573 2.120 1.00 0.00 N ATOM 858 CA TRP A 64 -0.500 1.097 0.831 1.00 0.00 C ATOM 859 C TRP A 64 -1.822 1.848 0.978 1.00 0.00 C ATOM 860 O TRP A 64 -1.992 2.946 0.440 1.00 0.00 O ATOM 861 CB TRP A 64 -0.651 -0.035 -0.185 1.00 0.00 C ATOM 862 CG TRP A 64 -0.728 0.448 -1.602 1.00 0.00 C ATOM 863 CD1 TRP A 64 0.319 0.653 -2.455 1.00 0.00 C ATOM 864 CD2 TRP A 64 -1.912 0.794 -2.334 1.00 0.00 C ATOM 865 NE1 TRP A 64 -0.141 1.104 -3.668 1.00 0.00 N ATOM 866 CE2 TRP A 64 -1.506 1.194 -3.622 1.00 0.00 C ATOM 867 CE3 TRP A 64 -3.275 0.798 -2.028 1.00 0.00 C ATOM 868 CZ2 TRP A 64 -2.415 1.599 -4.596 1.00 0.00 C ATOM 869 CZ3 TRP A 64 -4.175 1.198 -2.997 1.00 0.00 C ATOM 870 CH2 TRP A 64 -3.741 1.593 -4.267 1.00 0.00 C ATOM 0 H TRP A 64 0.003 -0.444 2.163 1.00 0.00 H new ATOM 0 HA TRP A 64 0.261 1.790 0.471 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.193 -0.718 -0.086 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.551 -0.605 0.047 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.358 0.485 -2.211 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.441 1.335 -4.473 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.619 0.494 -1.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.084 1.907 -5.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.231 1.206 -2.770 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.470 1.900 -5.003 1.00 0.00 H new ATOM 881 N PHE A 65 -2.747 1.261 1.732 1.00 0.00 N ATOM 882 CA PHE A 65 -4.048 1.852 1.954 1.00 0.00 C ATOM 883 C PHE A 65 -3.961 3.046 2.889 1.00 0.00 C ATOM 884 O PHE A 65 -4.764 3.974 2.803 1.00 0.00 O ATOM 885 CB PHE A 65 -5.000 0.800 2.510 1.00 0.00 C ATOM 886 CG PHE A 65 -5.768 0.070 1.445 1.00 0.00 C ATOM 887 CD1 PHE A 65 -5.140 -0.859 0.630 1.00 0.00 C ATOM 888 CD2 PHE A 65 -7.115 0.318 1.257 1.00 0.00 C ATOM 889 CE1 PHE A 65 -5.844 -1.527 -0.351 1.00 0.00 C ATOM 890 CE2 PHE A 65 -7.825 -0.349 0.276 1.00 0.00 C ATOM 891 CZ PHE A 65 -7.190 -1.271 -0.529 1.00 0.00 C ATOM 0 H PHE A 65 -2.610 0.366 2.201 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.431 2.213 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.431 0.079 3.096 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.703 1.280 3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.088 -1.062 0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.618 1.040 1.883 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.343 -2.249 -0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.877 -0.148 0.140 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.743 -1.792 -1.297 1.00 0.00 H new ATOM 901 N GLN A 66 -2.974 3.023 3.763 1.00 0.00 N ATOM 902 CA GLN A 66 -2.760 4.107 4.711 1.00 0.00 C ATOM 903 C GLN A 66 -2.334 5.360 3.960 1.00 0.00 C ATOM 904 O GLN A 66 -2.800 6.463 4.248 1.00 0.00 O ATOM 905 CB GLN A 66 -1.693 3.715 5.734 1.00 0.00 C ATOM 906 CG GLN A 66 -2.084 3.996 7.177 1.00 0.00 C ATOM 907 CD GLN A 66 -2.111 5.476 7.505 1.00 0.00 C ATOM 908 OE1 GLN A 66 -3.149 6.131 7.399 1.00 0.00 O ATOM 909 NE2 GLN A 66 -0.971 6.008 7.905 1.00 0.00 N ATOM 0 H GLN A 66 -2.301 2.260 3.839 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.690 4.306 5.244 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.476 2.652 5.628 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.772 4.252 5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.068 3.568 7.371 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.381 3.495 7.842 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.135 5.428 7.978 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.926 6.999 8.141 1.00 0.00 H new ATOM 918 N ASN A 67 -1.460 5.167 2.977 1.00 0.00 N ATOM 919 CA ASN A 67 -0.967 6.267 2.156 1.00 0.00 C ATOM 920 C ASN A 67 -2.117 6.924 1.413 1.00 0.00 C ATOM 921 O ASN A 67 -2.178 8.145 1.293 1.00 0.00 O ATOM 922 CB ASN A 67 0.058 5.758 1.145 1.00 0.00 C ATOM 923 CG ASN A 67 1.063 6.821 0.754 1.00 0.00 C ATOM 924 OD1 ASN A 67 0.798 7.661 -0.108 1.00 0.00 O ATOM 925 ND2 ASN A 67 2.227 6.784 1.380 1.00 0.00 N ATOM 0 H ASN A 67 -1.077 4.255 2.729 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.494 6.997 2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.585 4.902 1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.460 5.406 0.253 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.949 7.469 1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.403 6.070 2.087 1.00 0.00 H new ATOM 932 N ARG A 68 -3.031 6.098 0.927 1.00 0.00 N ATOM 933 CA ARG A 68 -4.186 6.563 0.195 1.00 0.00 C ATOM 934 C ARG A 68 -5.125 7.348 1.107 1.00 0.00 C ATOM 935 O ARG A 68 -5.745 8.324 0.686 1.00 0.00 O ATOM 936 CB ARG A 68 -4.908 5.363 -0.402 1.00 0.00 C ATOM 937 CG ARG A 68 -4.065 4.568 -1.387 1.00 0.00 C ATOM 938 CD ARG A 68 -3.729 5.384 -2.627 1.00 0.00 C ATOM 939 NE ARG A 68 -2.594 4.826 -3.362 1.00 0.00 N ATOM 940 CZ ARG A 68 -2.201 5.258 -4.562 1.00 0.00 C ATOM 941 NH1 ARG A 68 -2.840 6.254 -5.160 1.00 0.00 N ATOM 942 NH2 ARG A 68 -1.160 4.697 -5.166 1.00 0.00 N ATOM 0 H ARG A 68 -2.987 5.084 1.033 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.861 7.231 -0.603 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.226 4.703 0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.811 5.708 -0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.143 4.248 -0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.602 3.665 -1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.600 5.424 -3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.503 6.410 -2.335 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.072 4.062 -2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.638 6.696 -4.703 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.534 6.579 -6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.658 3.933 -4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.862 5.030 -6.083 1.00 0.00 H new ATOM 956 N ARG A 69 -5.212 6.910 2.359 1.00 0.00 N ATOM 957 CA ARG A 69 -6.063 7.552 3.358 1.00 0.00 C ATOM 958 C ARG A 69 -5.615 8.986 3.623 1.00 0.00 C ATOM 959 O ARG A 69 -6.402 9.926 3.512 1.00 0.00 O ATOM 960 CB ARG A 69 -6.025 6.754 4.662 1.00 0.00 C ATOM 961 CG ARG A 69 -6.935 7.303 5.747 1.00 0.00 C ATOM 962 CD ARG A 69 -8.399 7.147 5.372 1.00 0.00 C ATOM 963 NE ARG A 69 -8.792 5.741 5.269 1.00 0.00 N ATOM 964 CZ ARG A 69 -10.022 5.291 5.512 1.00 0.00 C ATOM 965 NH1 ARG A 69 -10.991 6.143 5.828 1.00 0.00 N ATOM 966 NH2 ARG A 69 -10.283 3.989 5.428 1.00 0.00 N ATOM 0 H ARG A 69 -4.697 6.103 2.710 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.082 7.576 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.307 5.722 4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.001 6.736 5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.740 6.783 6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.711 8.356 5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.019 7.643 6.119 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.585 7.646 4.421 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.080 5.064 4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.793 7.142 5.885 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.933 5.798 6.014 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.541 3.335 5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.225 3.645 5.614 1.00 0.00 H new ATOM 980 N MET A 70 -4.346 9.146 3.972 1.00 0.00 N ATOM 981 CA MET A 70 -3.795 10.464 4.258 1.00 0.00 C ATOM 982 C MET A 70 -3.754 11.307 2.997 1.00 0.00 C ATOM 983 O MET A 70 -3.937 12.524 3.045 1.00 0.00 O ATOM 984 CB MET A 70 -2.394 10.343 4.853 1.00 0.00 C ATOM 985 CG MET A 70 -2.347 9.534 6.135 1.00 0.00 C ATOM 986 SD MET A 70 -0.678 9.006 6.556 1.00 0.00 S ATOM 987 CE MET A 70 -0.156 8.332 4.983 1.00 0.00 C ATOM 0 H MET A 70 -3.679 8.380 4.064 1.00 0.00 H new ATOM 0 HA MET A 70 -4.442 10.953 4.986 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.735 9.882 4.118 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.004 11.342 5.049 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.753 10.130 6.952 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.987 8.658 6.031 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.448 7.441 5.152 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.033 8.070 4.391 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.435 9.075 4.447 1.00 0.00 H new ATOM 997 N LYS A 71 -3.519 10.646 1.870 1.00 0.00 N ATOM 998 CA LYS A 71 -3.461 11.316 0.577 1.00 0.00 C ATOM 999 C LYS A 71 -4.753 12.066 0.320 1.00 0.00 C ATOM 1000 O LYS A 71 -4.751 13.196 -0.151 1.00 0.00 O ATOM 1001 CB LYS A 71 -3.226 10.294 -0.537 1.00 0.00 C ATOM 1002 CG LYS A 71 -2.539 10.866 -1.762 1.00 0.00 C ATOM 1003 CD LYS A 71 -2.596 9.897 -2.933 1.00 0.00 C ATOM 1004 CE LYS A 71 -1.996 8.543 -2.584 1.00 0.00 C ATOM 1005 NZ LYS A 71 -0.550 8.636 -2.278 1.00 0.00 N ATOM 0 H LYS A 71 -3.364 9.639 1.826 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.633 12.025 0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.623 9.475 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.185 9.870 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.014 11.806 -2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.499 11.093 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.632 9.765 -3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.061 10.323 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.521 8.125 -1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.146 7.855 -3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.026 7.956 -2.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.214 9.599 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.393 8.419 -1.273 1.00 0.00 H new ATOM 1019 N MET A 72 -5.845 11.419 0.668 1.00 0.00 N ATOM 1020 CA MET A 72 -7.181 11.967 0.510 1.00 0.00 C ATOM 1021 C MET A 72 -7.343 13.255 1.300 1.00 0.00 C ATOM 1022 O MET A 72 -8.019 14.193 0.878 1.00 0.00 O ATOM 1023 CB MET A 72 -8.181 10.948 1.030 1.00 0.00 C ATOM 1024 CG MET A 72 -9.508 10.970 0.305 1.00 0.00 C ATOM 1025 SD MET A 72 -10.703 9.818 1.013 1.00 0.00 S ATOM 1026 CE MET A 72 -9.817 8.269 0.864 1.00 0.00 C ATOM 0 H MET A 72 -5.832 10.484 1.075 1.00 0.00 H new ATOM 0 HA MET A 72 -7.349 12.185 -0.545 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.748 9.951 0.945 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.354 11.131 2.091 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.919 11.979 0.337 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.349 10.723 -0.745 1.00 0.00 H new ATOM 0 HE1 MET A 72 -10.505 7.486 0.546 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.021 8.375 0.127 1.00 0.00 H new ATOM 0 HE3 MET A 72 -9.385 8.003 1.829 1.00 0.00 H new ATOM 1036 N LYS A 73 -6.726 13.270 2.461 1.00 0.00 N ATOM 1037 CA LYS A 73 -6.796 14.412 3.365 1.00 0.00 C ATOM 1038 C LYS A 73 -6.007 15.620 2.857 1.00 0.00 C ATOM 1039 O LYS A 73 -6.512 16.743 2.882 1.00 0.00 O ATOM 1040 CB LYS A 73 -6.313 14.010 4.761 1.00 0.00 C ATOM 1041 CG LYS A 73 -7.163 12.921 5.407 1.00 0.00 C ATOM 1042 CD LYS A 73 -8.650 13.213 5.251 1.00 0.00 C ATOM 1043 CE LYS A 73 -9.511 12.025 5.650 1.00 0.00 C ATOM 1044 NZ LYS A 73 -9.728 11.962 7.119 1.00 0.00 N ATOM 0 H LYS A 73 -6.161 12.496 2.810 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.842 14.716 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.282 13.664 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.313 14.890 5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.930 11.958 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.915 12.843 6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.916 14.075 5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.860 13.481 4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.474 12.089 5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.035 11.104 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.320 11.138 7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.811 11.875 7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.205 12.830 7.437 1.00 0.00 H new ATOM 1058 N LYS A 74 -4.779 15.402 2.403 1.00 0.00 N ATOM 1059 CA LYS A 74 -3.946 16.505 1.922 1.00 0.00 C ATOM 1060 C LYS A 74 -4.221 16.850 0.461 1.00 0.00 C ATOM 1061 O LYS A 74 -4.288 18.025 0.100 1.00 0.00 O ATOM 1062 CB LYS A 74 -2.464 16.185 2.102 1.00 0.00 C ATOM 1063 CG LYS A 74 -1.938 16.491 3.493 1.00 0.00 C ATOM 1064 CD LYS A 74 -0.419 16.414 3.542 1.00 0.00 C ATOM 1065 CE LYS A 74 0.231 17.506 2.704 1.00 0.00 C ATOM 1066 NZ LYS A 74 0.316 18.797 3.436 1.00 0.00 N ATOM 0 H LYS A 74 -4.338 14.483 2.356 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.207 17.375 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.300 15.129 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.887 16.753 1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.263 17.486 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.363 15.786 4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.084 16.501 4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.093 15.438 3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.232 17.190 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.341 17.647 1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.765 19.512 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.641 19.113 3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.883 18.670 4.298 1.00 0.00 H new ATOM 1080 N MET A 75 -4.387 15.838 -0.377 1.00 0.00 N ATOM 1081 CA MET A 75 -4.636 16.058 -1.799 1.00 0.00 C ATOM 1082 C MET A 75 -6.110 16.327 -2.075 1.00 0.00 C ATOM 1083 O MET A 75 -6.658 15.872 -3.079 1.00 0.00 O ATOM 1084 CB MET A 75 -4.167 14.859 -2.626 1.00 0.00 C ATOM 1085 CG MET A 75 -2.745 14.988 -3.144 1.00 0.00 C ATOM 1086 SD MET A 75 -2.343 13.729 -4.370 1.00 0.00 S ATOM 1087 CE MET A 75 -3.536 14.113 -5.654 1.00 0.00 C ATOM 0 H MET A 75 -4.354 14.857 -0.100 1.00 0.00 H new ATOM 0 HA MET A 75 -4.066 16.939 -2.092 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.241 13.958 -2.017 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.841 14.728 -3.472 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.610 15.976 -3.584 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.049 14.913 -2.309 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.146 13.793 -6.620 1.00 0.00 H new ATOM 0 HE2 MET A 75 -4.471 13.592 -5.449 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.716 15.188 -5.674 1.00 0.00 H new ATOM 1097 N ASN A 76 -6.751 17.068 -1.190 1.00 0.00 N ATOM 1098 CA ASN A 76 -8.151 17.401 -1.365 1.00 0.00 C ATOM 1099 C ASN A 76 -8.273 18.817 -1.897 1.00 0.00 C ATOM 1100 O ASN A 76 -8.450 18.977 -3.119 1.00 0.00 O ATOM 1101 CB ASN A 76 -8.924 17.255 -0.057 1.00 0.00 C ATOM 1102 CG ASN A 76 -10.409 17.510 -0.239 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -10.891 18.630 -0.056 1.00 0.00 O ATOM 1104 ND2 ASN A 76 -11.145 16.477 -0.613 1.00 0.00 N ATOM 1105 OXT ASN A 76 -8.158 19.768 -1.098 1.00 0.00 O ATOM 0 H ASN A 76 -6.325 17.449 -0.345 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.585 16.705 -2.083 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.775 16.251 0.341 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.525 17.952 0.679 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.148 16.592 -0.760 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.710 15.565 -0.755 1.00 0.00 H new TER 1112 ASN A 76 ATOM 1113 N ASN B 171 27.954 5.165 2.115 1.00 0.00 N ATOM 1114 CA ASN B 171 28.371 5.204 3.534 1.00 0.00 C ATOM 1115 C ASN B 171 27.295 4.583 4.419 1.00 0.00 C ATOM 1116 O ASN B 171 26.106 4.736 4.141 1.00 0.00 O ATOM 1117 CB ASN B 171 28.641 6.649 3.969 1.00 0.00 C ATOM 1118 CG ASN B 171 29.296 6.735 5.335 1.00 0.00 C ATOM 1119 OD1 ASN B 171 29.906 5.777 5.803 1.00 0.00 O ATOM 1120 ND2 ASN B 171 29.182 7.882 5.981 1.00 0.00 N ATOM 0 HA ASN B 171 29.290 4.627 3.642 1.00 0.00 H new ATOM 0 HB2 ASN B 171 29.282 7.133 3.232 1.00 0.00 H new ATOM 0 HB3 ASN B 171 27.701 7.201 3.985 1.00 0.00 H new ATOM 0 HD21 ASN B 171 29.609 7.994 6.901 1.00 0.00 H new ATOM 0 HD22 ASN B 171 28.667 8.656 5.560 1.00 0.00 H new ATOM 1129 N GLN B 172 27.727 3.892 5.477 1.00 0.00 N ATOM 1130 CA GLN B 172 26.820 3.233 6.421 1.00 0.00 C ATOM 1131 C GLN B 172 26.025 2.137 5.728 1.00 0.00 C ATOM 1132 O GLN B 172 24.979 2.400 5.124 1.00 0.00 O ATOM 1133 CB GLN B 172 25.871 4.239 7.078 1.00 0.00 C ATOM 1134 CG GLN B 172 26.152 4.469 8.558 1.00 0.00 C ATOM 1135 CD GLN B 172 27.583 4.893 8.825 1.00 0.00 C ATOM 1136 OE1 GLN B 172 27.915 6.074 8.737 1.00 0.00 O ATOM 1137 NE2 GLN B 172 28.432 3.939 9.171 1.00 0.00 N ATOM 0 H GLN B 172 28.714 3.773 5.703 1.00 0.00 H new ATOM 0 HA GLN B 172 27.431 2.783 7.203 1.00 0.00 H new ATOM 0 HB2 GLN B 172 25.943 5.191 6.551 1.00 0.00 H new ATOM 0 HB3 GLN B 172 24.846 3.887 6.962 1.00 0.00 H new ATOM 0 HG2 GLN B 172 25.474 5.234 8.937 1.00 0.00 H new ATOM 0 HG3 GLN B 172 25.940 3.553 9.110 1.00 0.00 H new ATOM 0 HE21 GLN B 172 28.115 2.972 9.232 1.00 0.00 H new ATOM 0 HE22 GLN B 172 29.404 4.171 9.377 1.00 0.00 H new ATOM 1146 N GLU B 173 26.537 0.908 5.830 1.00 0.00 N ATOM 1147 CA GLU B 173 25.915 -0.262 5.217 1.00 0.00 C ATOM 1148 C GLU B 173 25.961 -0.147 3.701 1.00 0.00 C ATOM 1149 O GLU B 173 26.932 -0.554 3.062 1.00 0.00 O ATOM 1150 CB GLU B 173 24.469 -0.435 5.692 1.00 0.00 C ATOM 1151 CG GLU B 173 24.325 -0.624 7.192 1.00 0.00 C ATOM 1152 CD GLU B 173 24.510 -2.062 7.611 1.00 0.00 C ATOM 1153 OE1 GLU B 173 23.587 -2.873 7.387 1.00 0.00 O ATOM 1154 OE2 GLU B 173 25.576 -2.391 8.165 1.00 0.00 O ATOM 0 H GLU B 173 27.395 0.699 6.341 1.00 0.00 H new ATOM 0 HA GLU B 173 26.478 -1.143 5.525 1.00 0.00 H new ATOM 0 HB2 GLU B 173 23.892 0.439 5.390 1.00 0.00 H new ATOM 0 HB3 GLU B 173 24.032 -1.295 5.185 1.00 0.00 H new ATOM 0 HG2 GLU B 173 25.058 -0.002 7.706 1.00 0.00 H new ATOM 0 HG3 GLU B 173 23.339 -0.281 7.506 1.00 0.00 H new ATOM 1161 N PHE B 174 24.916 0.425 3.149 1.00 0.00 N ATOM 1162 CA PHE B 174 24.800 0.626 1.715 1.00 0.00 C ATOM 1163 C PHE B 174 23.882 1.807 1.436 1.00 0.00 C ATOM 1164 O PHE B 174 24.333 2.882 1.037 1.00 0.00 O ATOM 1165 CB PHE B 174 24.259 -0.631 1.029 1.00 0.00 C ATOM 1166 CG PHE B 174 25.298 -1.394 0.261 1.00 0.00 C ATOM 1167 CD1 PHE B 174 25.652 -1.011 -1.022 1.00 0.00 C ATOM 1168 CD2 PHE B 174 25.924 -2.494 0.825 1.00 0.00 C ATOM 1169 CE1 PHE B 174 26.607 -1.712 -1.729 1.00 0.00 C ATOM 1170 CE2 PHE B 174 26.880 -3.199 0.122 1.00 0.00 C ATOM 1171 CZ PHE B 174 27.223 -2.808 -1.155 1.00 0.00 C ATOM 0 H PHE B 174 24.116 0.767 3.681 1.00 0.00 H new ATOM 0 HA PHE B 174 25.792 0.833 1.313 1.00 0.00 H new ATOM 0 HB2 PHE B 174 23.823 -1.286 1.783 1.00 0.00 H new ATOM 0 HB3 PHE B 174 23.455 -0.346 0.351 1.00 0.00 H new ATOM 0 HD1 PHE B 174 25.175 -0.154 -1.474 1.00 0.00 H new ATOM 0 HD2 PHE B 174 25.661 -2.803 1.826 1.00 0.00 H new ATOM 0 HE1 PHE B 174 26.873 -1.405 -2.730 1.00 0.00 H new ATOM 0 HE2 PHE B 174 27.359 -4.056 0.572 1.00 0.00 H new ATOM 0 HZ PHE B 174 27.972 -3.357 -1.706 1.00 0.00 H new ATOM 1181 N ASP B 175 22.597 1.593 1.678 1.00 0.00 N ATOM 1182 CA ASP B 175 21.576 2.606 1.475 1.00 0.00 C ATOM 1183 C ASP B 175 20.253 2.068 1.989 1.00 0.00 C ATOM 1184 O ASP B 175 20.092 0.852 2.116 1.00 0.00 O ATOM 1185 CB ASP B 175 21.447 2.968 -0.007 1.00 0.00 C ATOM 1186 CG ASP B 175 20.648 4.240 -0.218 1.00 0.00 C ATOM 1187 OD1 ASP B 175 21.120 5.315 0.206 1.00 0.00 O ATOM 1188 OD2 ASP B 175 19.545 4.176 -0.796 1.00 0.00 O ATOM 0 H ASP B 175 22.233 0.705 2.023 1.00 0.00 H new ATOM 0 HA ASP B 175 21.856 3.509 2.017 1.00 0.00 H new ATOM 0 HB2 ASP B 175 22.441 3.090 -0.438 1.00 0.00 H new ATOM 0 HB3 ASP B 175 20.967 2.147 -0.540 1.00 0.00 H new ATOM 1193 N SER B 176 19.333 2.961 2.308 1.00 0.00 N ATOM 1194 CA SER B 176 18.016 2.578 2.794 1.00 0.00 C ATOM 1195 C SER B 176 17.222 1.888 1.683 1.00 0.00 C ATOM 1196 O SER B 176 16.445 2.522 0.967 1.00 0.00 O ATOM 1197 CB SER B 176 17.273 3.817 3.298 1.00 0.00 C ATOM 1198 OG SER B 176 18.107 4.602 4.136 1.00 0.00 O ATOM 0 H SER B 176 19.475 3.969 2.238 1.00 0.00 H new ATOM 0 HA SER B 176 18.128 1.875 3.620 1.00 0.00 H new ATOM 0 HB2 SER B 176 16.937 4.414 2.450 1.00 0.00 H new ATOM 0 HB3 SER B 176 16.382 3.513 3.847 1.00 0.00 H new ATOM 0 HG SER B 176 17.612 5.389 4.445 1.00 0.00 H new ATOM 1204 N GLU B 177 17.430 0.587 1.546 1.00 0.00 N ATOM 1205 CA GLU B 177 16.772 -0.197 0.515 1.00 0.00 C ATOM 1206 C GLU B 177 16.536 -1.618 1.012 1.00 0.00 C ATOM 1207 O GLU B 177 16.544 -2.572 0.236 1.00 0.00 O ATOM 1208 CB GLU B 177 17.641 -0.224 -0.743 1.00 0.00 C ATOM 1209 CG GLU B 177 17.156 0.702 -1.842 1.00 0.00 C ATOM 1210 CD GLU B 177 17.895 0.484 -3.141 1.00 0.00 C ATOM 1211 OE1 GLU B 177 19.102 0.796 -3.206 1.00 0.00 O ATOM 1212 OE2 GLU B 177 17.272 -0.011 -4.103 1.00 0.00 O ATOM 0 H GLU B 177 18.057 0.048 2.144 1.00 0.00 H new ATOM 0 HA GLU B 177 15.810 0.259 0.278 1.00 0.00 H new ATOM 0 HB2 GLU B 177 18.661 0.049 -0.474 1.00 0.00 H new ATOM 0 HB3 GLU B 177 17.675 -1.243 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU B 177 16.089 0.545 -2.002 1.00 0.00 H new ATOM 0 HG3 GLU B 177 17.282 1.737 -1.524 1.00 0.00 H new ATOM 1219 N GLU B 178 16.316 -1.748 2.309 1.00 0.00 N ATOM 1220 CA GLU B 178 16.089 -3.043 2.929 1.00 0.00 C ATOM 1221 C GLU B 178 14.649 -3.128 3.379 1.00 0.00 C ATOM 1222 O GLU B 178 14.214 -4.111 3.984 1.00 0.00 O ATOM 1223 CB GLU B 178 17.034 -3.247 4.123 1.00 0.00 C ATOM 1224 CG GLU B 178 16.766 -2.323 5.308 1.00 0.00 C ATOM 1225 CD GLU B 178 17.038 -0.862 5.005 1.00 0.00 C ATOM 1226 OE1 GLU B 178 17.996 -0.570 4.258 1.00 0.00 O ATOM 1227 OE2 GLU B 178 16.290 0.001 5.508 1.00 0.00 O ATOM 0 H GLU B 178 16.290 -0.963 2.960 1.00 0.00 H new ATOM 0 HA GLU B 178 16.293 -3.830 2.202 1.00 0.00 H new ATOM 0 HB2 GLU B 178 16.956 -4.281 4.460 1.00 0.00 H new ATOM 0 HB3 GLU B 178 18.060 -3.098 3.787 1.00 0.00 H new ATOM 0 HG2 GLU B 178 15.727 -2.435 5.619 1.00 0.00 H new ATOM 0 HG3 GLU B 178 17.386 -2.634 6.149 1.00 0.00 H new ATOM 1234 N GLU B 179 13.914 -2.083 3.059 1.00 0.00 N ATOM 1235 CA GLU B 179 12.522 -1.997 3.429 1.00 0.00 C ATOM 1236 C GLU B 179 11.666 -2.841 2.485 1.00 0.00 C ATOM 1237 O GLU B 179 12.191 -3.510 1.590 1.00 0.00 O ATOM 1238 CB GLU B 179 12.068 -0.536 3.404 1.00 0.00 C ATOM 1239 CG GLU B 179 10.950 -0.217 4.381 1.00 0.00 C ATOM 1240 CD GLU B 179 11.236 -0.723 5.778 1.00 0.00 C ATOM 1241 OE1 GLU B 179 12.176 -0.215 6.424 1.00 0.00 O ATOM 1242 OE2 GLU B 179 10.513 -1.628 6.244 1.00 0.00 O ATOM 0 H GLU B 179 14.263 -1.278 2.540 1.00 0.00 H new ATOM 0 HA GLU B 179 12.399 -2.386 4.440 1.00 0.00 H new ATOM 0 HB2 GLU B 179 12.923 0.103 3.626 1.00 0.00 H new ATOM 0 HB3 GLU B 179 11.737 -0.287 2.396 1.00 0.00 H new ATOM 0 HG2 GLU B 179 10.798 0.862 4.413 1.00 0.00 H new ATOM 0 HG3 GLU B 179 10.021 -0.659 4.021 1.00 0.00 H new ATOM 1249 N THR B 180 10.360 -2.802 2.668 1.00 0.00 N ATOM 1250 CA THR B 180 9.464 -3.564 1.825 1.00 0.00 C ATOM 1251 C THR B 180 8.354 -2.684 1.293 1.00 0.00 C ATOM 1252 O THR B 180 8.081 -2.646 0.097 1.00 0.00 O ATOM 1253 CB THR B 180 8.878 -4.764 2.585 1.00 0.00 C ATOM 1254 OG1 THR B 180 9.884 -5.325 3.441 1.00 0.00 O ATOM 1255 CG2 THR B 180 8.382 -5.830 1.621 1.00 0.00 C ATOM 0 H THR B 180 9.898 -2.251 3.392 1.00 0.00 H new ATOM 0 HA THR B 180 10.040 -3.944 0.982 1.00 0.00 H new ATOM 0 HB THR B 180 8.033 -4.416 3.180 1.00 0.00 H new ATOM 0 HG1 THR B 180 9.511 -6.089 3.927 1.00 0.00 H new ATOM 0 HG21 THR B 180 7.972 -6.668 2.185 1.00 0.00 H new ATOM 0 HG22 THR B 180 7.606 -5.409 0.981 1.00 0.00 H new ATOM 0 HG23 THR B 180 9.211 -6.178 1.005 1.00 0.00 H new ATOM 1263 N VAL B 181 7.726 -1.971 2.187 1.00 0.00 N ATOM 1264 CA VAL B 181 6.646 -1.074 1.816 1.00 0.00 C ATOM 1265 C VAL B 181 6.911 0.316 2.367 1.00 0.00 C ATOM 1266 O VAL B 181 6.644 0.594 3.537 1.00 0.00 O ATOM 1267 CB VAL B 181 5.264 -1.541 2.316 1.00 0.00 C ATOM 1268 CG1 VAL B 181 4.169 -0.997 1.407 1.00 0.00 C ATOM 1269 CG2 VAL B 181 5.187 -3.052 2.405 1.00 0.00 C ATOM 0 H VAL B 181 7.939 -1.988 3.184 1.00 0.00 H new ATOM 0 HA VAL B 181 6.620 -1.068 0.726 1.00 0.00 H new ATOM 0 HB VAL B 181 5.116 -1.148 3.322 1.00 0.00 H new ATOM 0 HG11 VAL B 181 3.197 -1.332 1.768 1.00 0.00 H new ATOM 0 HG12 VAL B 181 4.201 0.093 1.410 1.00 0.00 H new ATOM 0 HG13 VAL B 181 4.324 -1.362 0.392 1.00 0.00 H new ATOM 0 HG21 VAL B 181 4.199 -3.346 2.761 1.00 0.00 H new ATOM 0 HG22 VAL B 181 5.361 -3.484 1.419 1.00 0.00 H new ATOM 0 HG23 VAL B 181 5.945 -3.415 3.099 1.00 0.00 H new ATOM 1279 N GLU B 182 7.482 1.165 1.529 1.00 0.00 N ATOM 1280 CA GLU B 182 7.766 2.538 1.906 1.00 0.00 C ATOM 1281 C GLU B 182 6.466 3.233 2.299 1.00 0.00 C ATOM 1282 O GLU B 182 5.459 3.117 1.604 1.00 0.00 O ATOM 1283 CB GLU B 182 8.440 3.258 0.737 1.00 0.00 C ATOM 1284 CG GLU B 182 8.918 4.660 1.061 1.00 0.00 C ATOM 1285 CD GLU B 182 7.974 5.717 0.542 1.00 0.00 C ATOM 1286 OE1 GLU B 182 8.056 6.049 -0.655 1.00 0.00 O ATOM 1287 OE2 GLU B 182 7.146 6.216 1.323 1.00 0.00 O ATOM 0 H GLU B 182 7.759 0.925 0.577 1.00 0.00 H new ATOM 0 HA GLU B 182 8.443 2.560 2.760 1.00 0.00 H new ATOM 0 HB2 GLU B 182 9.291 2.665 0.402 1.00 0.00 H new ATOM 0 HB3 GLU B 182 7.739 3.309 -0.096 1.00 0.00 H new ATOM 0 HG2 GLU B 182 9.022 4.766 2.141 1.00 0.00 H new ATOM 0 HG3 GLU B 182 9.907 4.814 0.629 1.00 0.00 H new ATOM 1294 N ASP B 183 6.488 3.929 3.414 1.00 0.00 N ATOM 1295 CA ASP B 183 5.301 4.609 3.902 1.00 0.00 C ATOM 1296 C ASP B 183 5.579 6.079 4.189 1.00 0.00 C ATOM 1297 O ASP B 183 6.356 6.419 5.081 1.00 0.00 O ATOM 1298 CB ASP B 183 4.786 3.892 5.156 1.00 0.00 C ATOM 1299 CG ASP B 183 3.971 4.775 6.078 1.00 0.00 C ATOM 1300 OD1 ASP B 183 2.752 4.909 5.860 1.00 0.00 O ATOM 1301 OD2 ASP B 183 4.552 5.314 7.049 1.00 0.00 O ATOM 0 H ASP B 183 7.313 4.041 4.003 1.00 0.00 H new ATOM 0 HA ASP B 183 4.534 4.575 3.128 1.00 0.00 H new ATOM 0 HB2 ASP B 183 4.176 3.041 4.851 1.00 0.00 H new ATOM 0 HB3 ASP B 183 5.636 3.493 5.709 1.00 0.00 H new ATOM 1306 N SER B 184 4.965 6.940 3.397 1.00 0.00 N ATOM 1307 CA SER B 184 5.100 8.377 3.562 1.00 0.00 C ATOM 1308 C SER B 184 3.778 8.947 4.057 1.00 0.00 C ATOM 1309 O SER B 184 2.989 8.239 4.683 1.00 0.00 O ATOM 1310 CB SER B 184 5.493 9.040 2.237 1.00 0.00 C ATOM 1311 OG SER B 184 6.805 8.678 1.839 1.00 0.00 O ATOM 0 H SER B 184 4.360 6.664 2.623 1.00 0.00 H new ATOM 0 HA SER B 184 5.886 8.580 4.290 1.00 0.00 H new ATOM 0 HB2 SER B 184 4.784 8.751 1.461 1.00 0.00 H new ATOM 0 HB3 SER B 184 5.429 10.123 2.339 1.00 0.00 H new ATOM 0 HG SER B 184 6.769 7.861 1.299 1.00 0.00 H new ATOM 1317 N LEU B 185 3.535 10.216 3.781 1.00 0.00 N ATOM 1318 CA LEU B 185 2.301 10.857 4.189 1.00 0.00 C ATOM 1319 C LEU B 185 1.409 11.078 2.974 1.00 0.00 C ATOM 1320 O LEU B 185 0.391 10.408 2.810 1.00 0.00 O ATOM 1321 CB LEU B 185 2.602 12.186 4.891 1.00 0.00 C ATOM 1322 CG LEU B 185 1.386 13.054 5.219 1.00 0.00 C ATOM 1323 CD1 LEU B 185 0.495 12.375 6.248 1.00 0.00 C ATOM 1324 CD2 LEU B 185 1.836 14.417 5.719 1.00 0.00 C ATOM 0 H LEU B 185 4.179 10.823 3.274 1.00 0.00 H new ATOM 0 HA LEU B 185 1.777 10.211 4.893 1.00 0.00 H new ATOM 0 HB2 LEU B 185 3.134 11.973 5.818 1.00 0.00 H new ATOM 0 HB3 LEU B 185 3.278 12.764 4.261 1.00 0.00 H new ATOM 0 HG LEU B 185 0.804 13.189 4.307 1.00 0.00 H new ATOM 0 HD11 LEU B 185 -0.362 13.012 6.464 1.00 0.00 H new ATOM 0 HD12 LEU B 185 0.147 11.420 5.854 1.00 0.00 H new ATOM 0 HD13 LEU B 185 1.061 12.205 7.164 1.00 0.00 H new ATOM 0 HD21 LEU B 185 0.962 15.027 5.949 1.00 0.00 H new ATOM 0 HD22 LEU B 185 2.440 14.294 6.618 1.00 0.00 H new ATOM 0 HD23 LEU B 185 2.429 14.910 4.948 1.00 0.00 H new ATOM 1336 N VAL B 186 1.817 11.989 2.100 1.00 0.00 N ATOM 1337 CA VAL B 186 1.047 12.312 0.907 1.00 0.00 C ATOM 1338 C VAL B 186 1.986 12.747 -0.211 1.00 0.00 C ATOM 1339 O VAL B 186 2.140 13.942 -0.484 1.00 0.00 O ATOM 1340 CB VAL B 186 -0.002 13.429 1.162 1.00 0.00 C ATOM 1341 CG1 VAL B 186 -0.849 13.674 -0.078 1.00 0.00 C ATOM 1342 CG2 VAL B 186 -0.895 13.088 2.348 1.00 0.00 C ATOM 0 H VAL B 186 2.683 12.520 2.197 1.00 0.00 H new ATOM 0 HA VAL B 186 0.506 11.411 0.620 1.00 0.00 H new ATOM 0 HB VAL B 186 0.544 14.343 1.396 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -1.575 14.460 0.127 1.00 0.00 H new ATOM 0 HG12 VAL B 186 -0.206 13.980 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL B 186 -1.373 12.757 -0.347 1.00 0.00 H new ATOM 0 HG21 VAL B 186 -1.618 13.889 2.501 1.00 0.00 H new ATOM 0 HG22 VAL B 186 -1.423 12.155 2.150 1.00 0.00 H new ATOM 0 HG23 VAL B 186 -0.284 12.976 3.243 1.00 0.00 H new ATOM 1352 N GLU B 187 2.630 11.761 -0.827 1.00 0.00 N ATOM 1353 CA GLU B 187 3.568 11.983 -1.917 1.00 0.00 C ATOM 1354 C GLU B 187 4.632 13.011 -1.541 1.00 0.00 C ATOM 1355 O GLU B 187 4.972 13.897 -2.327 1.00 0.00 O ATOM 1356 CB GLU B 187 2.825 12.427 -3.174 1.00 0.00 C ATOM 1357 CG GLU B 187 2.724 11.349 -4.243 1.00 0.00 C ATOM 1358 CD GLU B 187 1.825 10.203 -3.835 1.00 0.00 C ATOM 1359 OE1 GLU B 187 0.592 10.391 -3.804 1.00 0.00 O ATOM 1360 OE2 GLU B 187 2.345 9.104 -3.545 1.00 0.00 O ATOM 0 H GLU B 187 2.513 10.778 -0.580 1.00 0.00 H new ATOM 0 HA GLU B 187 4.074 11.038 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.820 12.745 -2.897 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.330 13.296 -3.595 1.00 0.00 H new ATOM 0 HG2 GLU B 187 2.346 11.792 -5.164 1.00 0.00 H new ATOM 0 HG3 GLU B 187 3.720 10.964 -4.460 1.00 0.00 H new ATOM 1367 N ASP B 188 5.154 12.882 -0.335 1.00 0.00 N ATOM 1368 CA ASP B 188 6.177 13.792 0.162 1.00 0.00 C ATOM 1369 C ASP B 188 7.539 13.451 -0.430 1.00 0.00 C ATOM 1370 O ASP B 188 8.326 12.722 0.178 1.00 0.00 O ATOM 1371 CB ASP B 188 6.258 13.738 1.688 1.00 0.00 C ATOM 1372 CG ASP B 188 4.942 13.358 2.327 1.00 0.00 C ATOM 1373 OD1 ASP B 188 4.607 12.157 2.319 1.00 0.00 O ATOM 1374 OD2 ASP B 188 4.230 14.256 2.824 1.00 0.00 O ATOM 0 H ASP B 188 4.886 12.152 0.324 1.00 0.00 H new ATOM 0 HA ASP B 188 5.898 14.800 -0.144 1.00 0.00 H new ATOM 0 HB2 ASP B 188 7.022 13.018 1.982 1.00 0.00 H new ATOM 0 HB3 ASP B 188 6.574 14.710 2.066 1.00 0.00 H new ATOM 1379 N SER B 189 7.801 13.964 -1.623 1.00 0.00 N ATOM 1380 CA SER B 189 9.071 13.736 -2.295 1.00 0.00 C ATOM 1381 C SER B 189 10.128 14.693 -1.757 1.00 0.00 C ATOM 1382 O SER B 189 11.323 14.487 -1.962 1.00 0.00 O ATOM 1383 CB SER B 189 8.909 13.932 -3.803 1.00 0.00 C ATOM 1384 OG SER B 189 7.636 13.488 -4.237 1.00 0.00 O ATOM 0 H SER B 189 7.147 14.544 -2.148 1.00 0.00 H new ATOM 0 HA SER B 189 9.391 12.712 -2.103 1.00 0.00 H new ATOM 0 HB2 SER B 189 9.035 14.986 -4.052 1.00 0.00 H new ATOM 0 HB3 SER B 189 9.689 13.384 -4.331 1.00 0.00 H new ATOM 0 HG SER B 189 7.554 13.625 -5.204 1.00 0.00 H new ATOM 1390 N GLU B 190 9.661 15.728 -1.055 1.00 0.00 N ATOM 1391 CA GLU B 190 10.526 16.746 -0.470 1.00 0.00 C ATOM 1392 C GLU B 190 11.410 17.385 -1.537 1.00 0.00 C ATOM 1393 O GLU B 190 12.572 16.957 -1.699 1.00 0.00 O ATOM 1394 CB GLU B 190 11.376 16.143 0.648 1.00 0.00 C ATOM 1395 CG GLU B 190 10.894 16.508 2.041 1.00 0.00 C ATOM 1396 CD GLU B 190 11.604 15.728 3.126 1.00 0.00 C ATOM 1397 OE1 GLU B 190 12.076 14.607 2.845 1.00 0.00 O ATOM 1398 OE2 GLU B 190 11.695 16.230 4.264 1.00 0.00 O ATOM 1399 OXT GLU B 190 10.923 18.301 -2.231 1.00 0.00 O ATOM 0 H GLU B 190 8.668 15.881 -0.878 1.00 0.00 H new ATOM 0 HA GLU B 190 9.897 17.527 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU B 190 11.379 15.058 0.546 1.00 0.00 H new ATOM 0 HB3 GLU B 190 12.407 16.477 0.530 1.00 0.00 H new ATOM 0 HG2 GLU B 190 11.047 17.575 2.206 1.00 0.00 H new ATOM 0 HG3 GLU B 190 9.822 16.325 2.110 1.00 0.00 H new TER 1406 GLU B 190