USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 634 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 47 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 48 ASN : amide:sc= -2.95! C(o=-2.9!,f=-4.1!) USER MOD Set 2.1: A 40 SER OG : rot 180:sc= 0.0454 USER MOD Set 2.2: A 43 TYR OH : rot -94:sc= -0.613 USER MOD Set 3.1: A 39 GLN : amide:sc= -1.56 K(o=-12,f=-14!) USER MOD Set 3.2: A 41 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 42 GLN : amide:sc= -10.6! C(o=-12!,f=-20!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -15.9! C(o=-16!,f=-17!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.624 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 63:sc= -1.16! USER MOD Single : A 21 THR OG1 : rot -23:sc= 0.572 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 80:sc= 0.928 USER MOD Single : A 28 ASN : amide:sc=-0.00376 X(o=-0.0038,f=-0.17) USER MOD Single : A 30 ASN : amide:sc= -14.7! C(o=-15!,f=-19!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 33 ASN : amide:sc= -0.0948 X(o=-0.095,f=-0.42) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0.805 (180deg=0.725) USER MOD Single : A 51 THR OG1 : rot -145:sc= -4.04! USER MOD Single : A 55 SER OG : rot 180:sc= -0.92 USER MOD Single : A 56 TYR OH : rot 134:sc= -1.6! USER MOD Single : A 58 ASN : amide:sc= -3.26 K(o=-3.3,f=-0.58) USER MOD Single : A 59 THR OG1 : rot 52:sc= 1.01 USER MOD Single : A 63 ASN : amide:sc= -0.0961 X(o=-0.096,f=-0.55) USER MOD Single : A 64 THR OG1 : rot -77:sc= 0.873 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -119:sc= -1.44! (180deg=-3.26!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 164:sc= -0.207 (180deg=-0.736) USER MOD Single : A 78 ASN : amide:sc= -5.61! C(o=-5.6!,f=-3.7!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 84 THR OG1 : rot -160:sc= -1.17 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -6.353 16.553 -5.139 1.00 0.00 N ATOM 38 CA ASP A 3 -7.418 15.687 -5.633 1.00 0.00 C ATOM 39 C ASP A 3 -6.850 14.446 -6.321 1.00 0.00 C ATOM 40 O ASP A 3 -7.250 14.105 -7.434 1.00 0.00 O ATOM 41 CB ASP A 3 -8.316 16.454 -6.605 1.00 0.00 C ATOM 42 CG ASP A 3 -7.561 16.952 -7.821 1.00 0.00 C ATOM 43 OD1 ASP A 3 -6.348 16.670 -7.923 1.00 0.00 O ATOM 44 OD2 ASP A 3 -8.181 17.623 -8.672 1.00 0.00 O ATOM 0 HA ASP A 3 -8.008 15.362 -4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.132 15.808 -6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.766 17.302 -6.088 1.00 0.00 H new ATOM 49 N PRO A 4 -5.909 13.751 -5.663 1.00 0.00 N ATOM 50 CA PRO A 4 -5.291 12.541 -6.210 1.00 0.00 C ATOM 51 C PRO A 4 -6.202 11.331 -6.069 1.00 0.00 C ATOM 52 O PRO A 4 -6.813 11.127 -5.020 1.00 0.00 O ATOM 53 CB PRO A 4 -4.041 12.375 -5.348 1.00 0.00 C ATOM 54 CG PRO A 4 -4.418 12.963 -4.031 1.00 0.00 C ATOM 55 CD PRO A 4 -5.376 14.088 -4.329 1.00 0.00 C ATOM 0 HA PRO A 4 -5.081 12.622 -7.277 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.763 11.326 -5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.186 12.892 -5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.884 12.215 -3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.538 13.331 -3.503 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.169 14.146 -3.584 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.871 15.054 -4.332 1.00 0.00 H new ATOM 63 N THR A 5 -6.300 10.528 -7.124 1.00 0.00 N ATOM 64 CA THR A 5 -7.154 9.348 -7.080 1.00 0.00 C ATOM 65 C THR A 5 -6.351 8.071 -7.283 1.00 0.00 C ATOM 66 O THR A 5 -5.920 7.764 -8.391 1.00 0.00 O ATOM 67 CB THR A 5 -8.262 9.440 -8.128 1.00 0.00 C ATOM 68 OG1 THR A 5 -8.768 10.760 -8.210 1.00 0.00 O ATOM 69 CG2 THR A 5 -9.425 8.517 -7.837 1.00 0.00 C ATOM 0 H THR A 5 -5.807 10.670 -8.006 1.00 0.00 H new ATOM 0 HA THR A 5 -7.607 9.312 -6.089 1.00 0.00 H new ATOM 0 HB THR A 5 -7.802 9.139 -9.069 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.475 10.798 -8.888 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.180 8.627 -8.615 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.074 7.485 -7.815 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.860 8.773 -6.871 1.00 0.00 H new ATOM 77 N ILE A 6 -6.150 7.327 -6.205 1.00 0.00 N ATOM 78 CA ILE A 6 -5.397 6.089 -6.274 1.00 0.00 C ATOM 79 C ILE A 6 -6.155 4.942 -5.612 1.00 0.00 C ATOM 80 O ILE A 6 -7.286 5.111 -5.156 1.00 0.00 O ATOM 81 CB ILE A 6 -4.008 6.251 -5.616 1.00 0.00 C ATOM 82 CG1 ILE A 6 -4.051 5.921 -4.119 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.487 7.667 -5.822 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.691 5.956 -3.456 1.00 0.00 C ATOM 0 H ILE A 6 -6.498 7.561 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.261 5.849 -7.328 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.331 5.545 -6.097 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.710 6.630 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.487 4.931 -3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.508 7.766 -5.353 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.401 7.871 -6.889 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.179 8.378 -5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.795 5.713 -2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.035 5.228 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.262 6.953 -3.559 1.00 0.00 H new ATOM 96 N ASN A 7 -5.515 3.778 -5.566 1.00 0.00 N ATOM 97 CA ASN A 7 -6.102 2.586 -4.959 1.00 0.00 C ATOM 98 C ASN A 7 -6.862 2.925 -3.685 1.00 0.00 C ATOM 99 O ASN A 7 -6.780 4.041 -3.174 1.00 0.00 O ATOM 100 CB ASN A 7 -4.999 1.573 -4.655 1.00 0.00 C ATOM 101 CG ASN A 7 -4.038 2.080 -3.599 1.00 0.00 C ATOM 102 OD1 ASN A 7 -4.047 1.617 -2.459 1.00 0.00 O ATOM 103 ND2 ASN A 7 -3.199 3.039 -3.976 1.00 0.00 N ATOM 0 H ASN A 7 -4.580 3.633 -5.946 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.813 2.158 -5.666 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.448 0.639 -4.318 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.449 1.351 -5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.528 3.420 -3.309 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.226 3.394 -4.932 1.00 0.00 H new ATOM 110 N PRO A 8 -7.633 1.956 -3.170 1.00 0.00 N ATOM 111 CA PRO A 8 -8.437 2.142 -1.965 1.00 0.00 C ATOM 112 C PRO A 8 -7.636 2.705 -0.796 1.00 0.00 C ATOM 113 O PRO A 8 -6.597 3.336 -0.988 1.00 0.00 O ATOM 114 CB PRO A 8 -8.940 0.733 -1.651 1.00 0.00 C ATOM 115 CG PRO A 8 -8.958 0.043 -2.969 1.00 0.00 C ATOM 116 CD PRO A 8 -7.797 0.608 -3.740 1.00 0.00 C ATOM 0 HA PRO A 8 -9.235 2.868 -2.122 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.283 0.225 -0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.933 0.757 -1.201 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.860 -1.036 -2.848 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.898 0.220 -3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.898 0.005 -3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.005 0.646 -4.809 1.00 0.00 H new ATOM 124 N THR A 9 -8.128 2.488 0.419 1.00 0.00 N ATOM 125 CA THR A 9 -7.458 2.995 1.606 1.00 0.00 C ATOM 126 C THR A 9 -7.191 1.896 2.634 1.00 0.00 C ATOM 127 O THR A 9 -6.612 2.162 3.687 1.00 0.00 O ATOM 128 CB THR A 9 -8.293 4.106 2.244 1.00 0.00 C ATOM 129 OG1 THR A 9 -9.254 4.599 1.328 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.465 5.281 2.718 1.00 0.00 C ATOM 0 H THR A 9 -8.985 1.967 0.605 1.00 0.00 H new ATOM 0 HA THR A 9 -6.493 3.391 1.289 1.00 0.00 H new ATOM 0 HB THR A 9 -8.771 3.647 3.110 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.779 5.308 1.755 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.119 6.032 3.160 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.746 4.942 3.464 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.933 5.716 1.872 1.00 0.00 H new ATOM 138 N SER A 10 -7.609 0.667 2.341 1.00 0.00 N ATOM 139 CA SER A 10 -7.392 -0.434 3.277 1.00 0.00 C ATOM 140 C SER A 10 -7.724 -1.792 2.663 1.00 0.00 C ATOM 141 O SER A 10 -8.708 -1.939 1.937 1.00 0.00 O ATOM 142 CB SER A 10 -8.228 -0.221 4.539 1.00 0.00 C ATOM 143 OG SER A 10 -9.030 0.943 4.431 1.00 0.00 O ATOM 0 H SER A 10 -8.091 0.410 1.480 1.00 0.00 H new ATOM 0 HA SER A 10 -6.332 -0.438 3.529 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.864 -1.090 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.570 -0.134 5.404 1.00 0.00 H new ATOM 0 HG SER A 10 -9.556 1.055 5.250 1.00 0.00 H new ATOM 149 N ILE A 11 -6.896 -2.784 2.982 1.00 0.00 N ATOM 150 CA ILE A 11 -7.081 -4.143 2.498 1.00 0.00 C ATOM 151 C ILE A 11 -6.611 -5.141 3.553 1.00 0.00 C ATOM 152 O ILE A 11 -5.920 -4.767 4.500 1.00 0.00 O ATOM 153 CB ILE A 11 -6.308 -4.388 1.191 1.00 0.00 C ATOM 154 CG1 ILE A 11 -4.830 -4.037 1.369 1.00 0.00 C ATOM 155 CG2 ILE A 11 -6.918 -3.583 0.054 1.00 0.00 C ATOM 156 CD1 ILE A 11 -3.992 -4.306 0.137 1.00 0.00 C ATOM 0 H ILE A 11 -6.080 -2.665 3.583 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.144 -4.281 2.300 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.380 -5.446 0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.745 -2.983 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.427 -4.609 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.359 -3.768 -0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.957 -3.882 -0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.876 -2.521 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.955 -4.034 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.047 -5.365 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.369 -3.713 -0.696 1.00 0.00 H new ATOM 168 N SER A 12 -6.985 -6.408 3.397 1.00 0.00 N ATOM 169 CA SER A 12 -6.586 -7.431 4.360 1.00 0.00 C ATOM 170 C SER A 12 -6.251 -8.752 3.678 1.00 0.00 C ATOM 171 O SER A 12 -6.961 -9.203 2.779 1.00 0.00 O ATOM 172 CB SER A 12 -7.689 -7.651 5.394 1.00 0.00 C ATOM 173 OG SER A 12 -8.798 -6.805 5.148 1.00 0.00 O ATOM 0 H SER A 12 -7.556 -6.748 2.624 1.00 0.00 H new ATOM 0 HA SER A 12 -5.686 -7.071 4.859 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.010 -8.692 5.371 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.298 -7.460 6.393 1.00 0.00 H new ATOM 0 HG SER A 12 -9.490 -6.968 5.823 1.00 0.00 H new ATOM 179 N ALA A 13 -5.163 -9.367 4.126 1.00 0.00 N ATOM 180 CA ALA A 13 -4.713 -10.638 3.589 1.00 0.00 C ATOM 181 C ALA A 13 -3.584 -11.198 4.446 1.00 0.00 C ATOM 182 O ALA A 13 -2.962 -10.474 5.227 1.00 0.00 O ATOM 183 CB ALA A 13 -4.265 -10.476 2.144 1.00 0.00 C ATOM 0 H ALA A 13 -4.572 -8.997 4.870 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.544 -11.343 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.931 -11.438 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.099 -10.113 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.444 -9.760 2.096 1.00 0.00 H new ATOM 189 N LYS A 14 -3.311 -12.482 4.291 1.00 0.00 N ATOM 190 CA LYS A 14 -2.244 -13.121 5.046 1.00 0.00 C ATOM 191 C LYS A 14 -0.898 -12.620 4.541 1.00 0.00 C ATOM 192 O LYS A 14 -0.714 -12.438 3.338 1.00 0.00 O ATOM 193 CB LYS A 14 -2.341 -14.647 4.925 1.00 0.00 C ATOM 194 CG LYS A 14 -1.080 -15.388 5.343 1.00 0.00 C ATOM 195 CD LYS A 14 -0.999 -16.759 4.692 1.00 0.00 C ATOM 196 CE LYS A 14 -0.463 -17.804 5.657 1.00 0.00 C ATOM 197 NZ LYS A 14 1.001 -17.652 5.884 1.00 0.00 N ATOM 0 H LYS A 14 -3.810 -13.101 3.652 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.343 -12.864 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.173 -14.996 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.574 -14.904 3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.204 -14.801 5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.063 -15.497 6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.988 -17.057 4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.355 -16.709 3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.988 -17.723 6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.668 -18.800 5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.327 -18.383 6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.505 -17.755 4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.195 -16.711 6.283 1.00 0.00 H new ATOM 211 N ALA A 15 0.046 -12.384 5.445 1.00 0.00 N ATOM 212 CA ALA A 15 1.347 -11.897 5.022 1.00 0.00 C ATOM 213 C ALA A 15 2.030 -12.926 4.152 1.00 0.00 C ATOM 214 O ALA A 15 2.567 -13.926 4.629 1.00 0.00 O ATOM 215 CB ALA A 15 2.217 -11.499 6.205 1.00 0.00 C ATOM 0 H ALA A 15 -0.063 -12.519 6.450 1.00 0.00 H new ATOM 0 HA ALA A 15 1.194 -10.993 4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.181 -11.141 5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.724 -10.707 6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.370 -12.363 6.851 1.00 0.00 H new ATOM 221 N GLY A 16 1.967 -12.667 2.863 1.00 0.00 N ATOM 222 CA GLY A 16 2.532 -13.553 1.882 1.00 0.00 C ATOM 223 C GLY A 16 1.574 -13.720 0.731 1.00 0.00 C ATOM 224 O GLY A 16 1.974 -13.754 -0.426 1.00 0.00 O ATOM 0 H GLY A 16 1.522 -11.837 2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.481 -13.154 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.744 -14.522 2.334 1.00 0.00 H new ATOM 228 N SER A 17 0.286 -13.761 1.050 1.00 0.00 N ATOM 229 CA SER A 17 -0.737 -13.881 0.037 1.00 0.00 C ATOM 230 C SER A 17 -0.813 -12.595 -0.775 1.00 0.00 C ATOM 231 O SER A 17 -1.728 -12.390 -1.573 1.00 0.00 O ATOM 232 CB SER A 17 -2.075 -14.152 0.712 1.00 0.00 C ATOM 233 OG SER A 17 -1.997 -13.967 2.115 1.00 0.00 O ATOM 0 H SER A 17 -0.068 -13.712 2.005 1.00 0.00 H new ATOM 0 HA SER A 17 -0.495 -14.705 -0.635 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.833 -13.487 0.298 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.393 -15.172 0.496 1.00 0.00 H new ATOM 0 HG SER A 17 -1.776 -13.032 2.310 1.00 0.00 H new ATOM 239 N PHE A 18 0.161 -11.726 -0.554 1.00 0.00 N ATOM 240 CA PHE A 18 0.220 -10.460 -1.225 1.00 0.00 C ATOM 241 C PHE A 18 1.175 -10.511 -2.397 1.00 0.00 C ATOM 242 O PHE A 18 2.280 -9.978 -2.334 1.00 0.00 O ATOM 243 CB PHE A 18 0.677 -9.416 -0.230 1.00 0.00 C ATOM 244 CG PHE A 18 -0.347 -9.104 0.823 1.00 0.00 C ATOM 245 CD1 PHE A 18 -1.488 -8.383 0.509 1.00 0.00 C ATOM 246 CD2 PHE A 18 -0.170 -9.538 2.126 1.00 0.00 C ATOM 247 CE1 PHE A 18 -2.432 -8.101 1.477 1.00 0.00 C ATOM 248 CE2 PHE A 18 -1.110 -9.258 3.097 1.00 0.00 C ATOM 249 CZ PHE A 18 -2.241 -8.539 2.773 1.00 0.00 C ATOM 0 H PHE A 18 0.928 -11.889 0.098 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.767 -10.209 -1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.590 -9.762 0.254 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.927 -8.500 -0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.641 -8.038 -0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.714 -10.102 2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.318 -7.539 1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.960 -9.602 4.110 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.977 -8.318 3.532 1.00 0.00 H new ATOM 259 N ALA A 19 0.742 -11.149 -3.467 1.00 0.00 N ATOM 260 CA ALA A 19 1.571 -11.263 -4.657 1.00 0.00 C ATOM 261 C ALA A 19 1.731 -9.897 -5.311 1.00 0.00 C ATOM 262 O ALA A 19 0.868 -9.032 -5.166 1.00 0.00 O ATOM 263 CB ALA A 19 0.963 -12.256 -5.636 1.00 0.00 C ATOM 0 H ALA A 19 -0.173 -11.595 -3.540 1.00 0.00 H new ATOM 0 HA ALA A 19 2.555 -11.630 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.596 -12.329 -6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.888 -13.235 -5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.031 -11.917 -5.928 1.00 0.00 H new ATOM 269 N ASP A 20 2.846 -9.700 -6.015 1.00 0.00 N ATOM 270 CA ASP A 20 3.119 -8.425 -6.676 1.00 0.00 C ATOM 271 C ASP A 20 1.827 -7.795 -7.181 1.00 0.00 C ATOM 272 O ASP A 20 1.163 -8.345 -8.059 1.00 0.00 O ATOM 273 CB ASP A 20 4.092 -8.625 -7.837 1.00 0.00 C ATOM 274 CG ASP A 20 4.331 -7.348 -8.620 1.00 0.00 C ATOM 275 OD1 ASP A 20 3.418 -6.925 -9.359 1.00 0.00 O ATOM 276 OD2 ASP A 20 5.432 -6.772 -8.493 1.00 0.00 O ATOM 0 H ASP A 20 3.572 -10.405 -6.142 1.00 0.00 H new ATOM 0 HA ASP A 20 3.573 -7.753 -5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.042 -8.994 -7.451 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.701 -9.391 -8.507 1.00 0.00 H new ATOM 281 N THR A 21 1.463 -6.647 -6.614 1.00 0.00 N ATOM 282 CA THR A 21 0.236 -5.975 -7.014 1.00 0.00 C ATOM 283 C THR A 21 0.513 -4.548 -7.456 1.00 0.00 C ATOM 284 O THR A 21 1.050 -3.741 -6.701 1.00 0.00 O ATOM 285 CB THR A 21 -0.774 -5.982 -5.867 1.00 0.00 C ATOM 286 OG1 THR A 21 -0.721 -7.206 -5.156 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.203 -5.777 -6.322 1.00 0.00 C ATOM 0 H THR A 21 1.995 -6.170 -5.886 1.00 0.00 H new ATOM 0 HA THR A 21 -0.184 -6.519 -7.860 1.00 0.00 H new ATOM 0 HB THR A 21 -0.489 -5.144 -5.231 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.352 -7.905 -5.735 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.866 -5.793 -5.457 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.289 -4.815 -6.828 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.484 -6.575 -7.010 1.00 0.00 H new ATOM 295 N LYS A 22 0.149 -4.245 -8.689 1.00 0.00 N ATOM 296 CA LYS A 22 0.362 -2.924 -9.231 1.00 0.00 C ATOM 297 C LYS A 22 -0.845 -2.029 -8.983 1.00 0.00 C ATOM 298 O LYS A 22 -1.956 -2.315 -9.431 1.00 0.00 O ATOM 299 CB LYS A 22 0.675 -2.990 -10.728 1.00 0.00 C ATOM 300 CG LYS A 22 0.375 -4.334 -11.376 1.00 0.00 C ATOM 301 CD LYS A 22 -1.122 -4.584 -11.474 1.00 0.00 C ATOM 302 CE LYS A 22 -1.747 -3.789 -12.609 1.00 0.00 C ATOM 303 NZ LYS A 22 -3.174 -4.154 -12.823 1.00 0.00 N ATOM 0 H LYS A 22 -0.296 -4.900 -9.332 1.00 0.00 H new ATOM 0 HA LYS A 22 1.221 -2.491 -8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.102 -2.218 -11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.729 -2.756 -10.877 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.816 -4.365 -12.372 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.841 -5.131 -10.796 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.305 -5.647 -11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.600 -4.313 -10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.674 -2.724 -12.389 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.186 -3.964 -13.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.563 -3.590 -13.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.242 -5.165 -13.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.715 -3.963 -11.956 1.00 0.00 H new ATOM 317 N ILE A 23 -0.604 -0.947 -8.261 1.00 0.00 N ATOM 318 CA ILE A 23 -1.642 0.014 -7.927 1.00 0.00 C ATOM 319 C ILE A 23 -1.657 1.167 -8.928 1.00 0.00 C ATOM 320 O ILE A 23 -0.661 1.422 -9.608 1.00 0.00 O ATOM 321 CB ILE A 23 -1.432 0.546 -6.498 1.00 0.00 C ATOM 322 CG1 ILE A 23 -2.250 -0.277 -5.503 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.783 2.026 -6.389 1.00 0.00 C ATOM 324 CD1 ILE A 23 -1.978 0.076 -4.057 1.00 0.00 C ATOM 0 H ILE A 23 0.316 -0.710 -7.890 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.607 -0.490 -7.976 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.374 0.445 -6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.310 -0.133 -5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.036 -1.335 -5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.622 2.364 -5.365 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.150 2.601 -7.065 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.829 2.173 -6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.593 -0.547 -3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.925 -0.095 -3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.219 1.125 -3.887 1.00 0.00 H new ATOM 336 N THR A 24 -2.789 1.861 -9.014 1.00 0.00 N ATOM 337 CA THR A 24 -2.925 2.981 -9.937 1.00 0.00 C ATOM 338 C THR A 24 -2.992 4.306 -9.187 1.00 0.00 C ATOM 339 O THR A 24 -3.864 4.509 -8.342 1.00 0.00 O ATOM 340 CB THR A 24 -4.173 2.808 -10.804 1.00 0.00 C ATOM 341 OG1 THR A 24 -4.302 1.465 -11.234 1.00 0.00 O ATOM 342 CG2 THR A 24 -4.172 3.687 -12.036 1.00 0.00 C ATOM 0 H THR A 24 -3.622 1.667 -8.457 1.00 0.00 H new ATOM 0 HA THR A 24 -2.044 2.995 -10.579 1.00 0.00 H new ATOM 0 HB THR A 24 -5.009 3.101 -10.169 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.107 1.374 -11.786 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.085 3.515 -12.606 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.123 4.734 -11.736 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.307 3.446 -12.654 1.00 0.00 H new ATOM 350 N LEU A 25 -2.059 5.200 -9.495 1.00 0.00 N ATOM 351 CA LEU A 25 -2.000 6.500 -8.850 1.00 0.00 C ATOM 352 C LEU A 25 -2.439 7.612 -9.805 1.00 0.00 C ATOM 353 O LEU A 25 -1.625 8.151 -10.551 1.00 0.00 O ATOM 354 CB LEU A 25 -0.575 6.753 -8.373 1.00 0.00 C ATOM 355 CG LEU A 25 -0.386 6.735 -6.858 1.00 0.00 C ATOM 356 CD1 LEU A 25 -0.537 5.321 -6.320 1.00 0.00 C ATOM 357 CD2 LEU A 25 0.972 7.309 -6.485 1.00 0.00 C ATOM 0 H LEU A 25 -1.331 5.044 -10.192 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.683 6.503 -8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.078 6.000 -8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.248 7.721 -8.753 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.157 7.358 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.399 5.326 -5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.533 4.946 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.212 4.675 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.090 7.289 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.759 6.713 -6.947 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.042 8.338 -6.838 1.00 0.00 H new ATOM 369 N THR A 26 -3.727 7.954 -9.779 1.00 0.00 N ATOM 370 CA THR A 26 -4.252 9.002 -10.652 1.00 0.00 C ATOM 371 C THR A 26 -3.734 10.376 -10.233 1.00 0.00 C ATOM 372 O THR A 26 -4.122 10.909 -9.186 1.00 0.00 O ATOM 373 CB THR A 26 -5.781 9.001 -10.648 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.283 7.680 -10.748 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.382 9.807 -11.779 1.00 0.00 C ATOM 0 H THR A 26 -4.421 7.524 -9.168 1.00 0.00 H new ATOM 0 HA THR A 26 -3.903 8.791 -11.663 1.00 0.00 H new ATOM 0 HB THR A 26 -6.067 9.461 -9.702 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.247 7.249 -9.869 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.469 9.765 -11.718 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.054 10.844 -11.701 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.056 9.394 -12.734 1.00 0.00 H new ATOM 383 N PRO A 27 -2.849 10.960 -11.066 1.00 0.00 N ATOM 384 CA PRO A 27 -2.233 12.270 -10.850 1.00 0.00 C ATOM 385 C PRO A 27 -2.915 13.346 -11.661 1.00 0.00 C ATOM 386 O PRO A 27 -2.361 14.421 -11.890 1.00 0.00 O ATOM 387 CB PRO A 27 -0.882 12.023 -11.448 1.00 0.00 C ATOM 388 CG PRO A 27 -1.263 11.356 -12.716 1.00 0.00 C ATOM 389 CD PRO A 27 -2.354 10.385 -12.331 1.00 0.00 C ATOM 0 HA PRO A 27 -2.261 12.603 -9.812 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.328 12.947 -11.616 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.260 11.389 -10.817 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.618 12.078 -13.451 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.413 10.839 -13.162 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.137 10.331 -13.088 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.970 9.374 -12.196 1.00 0.00 H new ATOM 397 N ASN A 28 -4.098 13.011 -12.130 1.00 0.00 N ATOM 398 CA ASN A 28 -4.899 13.883 -12.969 1.00 0.00 C ATOM 399 C ASN A 28 -4.784 15.344 -12.556 1.00 0.00 C ATOM 400 O ASN A 28 -5.168 16.250 -13.294 1.00 0.00 O ATOM 401 CB ASN A 28 -6.355 13.454 -12.870 1.00 0.00 C ATOM 402 CG ASN A 28 -7.070 13.492 -14.206 1.00 0.00 C ATOM 403 OD1 ASN A 28 -6.569 12.979 -15.207 1.00 0.00 O ATOM 404 ND2 ASN A 28 -8.249 14.104 -14.229 1.00 0.00 N ATOM 0 H ASN A 28 -4.539 12.112 -11.937 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.530 13.797 -13.991 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.405 12.443 -12.465 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.874 14.105 -12.167 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.776 14.162 -15.100 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.627 14.515 -13.376 1.00 0.00 H new ATOM 411 N GLY A 29 -4.238 15.547 -11.382 1.00 0.00 N ATOM 412 CA GLY A 29 -4.045 16.886 -10.855 1.00 0.00 C ATOM 413 C GLY A 29 -3.149 16.902 -9.630 1.00 0.00 C ATOM 414 O GLY A 29 -3.096 17.897 -8.906 1.00 0.00 O ATOM 0 H GLY A 29 -3.916 14.800 -10.766 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.610 17.519 -11.628 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.013 17.316 -10.599 1.00 0.00 H new ATOM 418 N ASN A 30 -2.463 15.789 -9.383 1.00 0.00 N ATOM 419 CA ASN A 30 -1.595 15.660 -8.237 1.00 0.00 C ATOM 420 C ASN A 30 -0.317 14.912 -8.593 1.00 0.00 C ATOM 421 O ASN A 30 -0.202 14.329 -9.671 1.00 0.00 O ATOM 422 CB ASN A 30 -2.340 14.916 -7.145 1.00 0.00 C ATOM 423 CG ASN A 30 -3.847 15.021 -7.294 1.00 0.00 C ATOM 424 OD1 ASN A 30 -4.515 15.653 -6.481 1.00 0.00 O ATOM 425 ND2 ASN A 30 -4.389 14.408 -8.344 1.00 0.00 N ATOM 0 H ASN A 30 -2.499 14.959 -9.975 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.312 16.655 -7.894 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.049 13.866 -7.162 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.046 15.313 -6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.396 14.453 -8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.797 13.893 -8.996 1.00 0.00 H new ATOM 432 N THR A 31 0.636 14.927 -7.671 1.00 0.00 N ATOM 433 CA THR A 31 1.905 14.245 -7.868 1.00 0.00 C ATOM 434 C THR A 31 2.173 13.279 -6.722 1.00 0.00 C ATOM 435 O THR A 31 1.620 13.422 -5.632 1.00 0.00 O ATOM 436 CB THR A 31 3.046 15.256 -7.976 1.00 0.00 C ATOM 437 OG1 THR A 31 4.298 14.593 -8.015 1.00 0.00 O ATOM 438 CG2 THR A 31 3.084 16.242 -6.828 1.00 0.00 C ATOM 0 H THR A 31 0.552 15.407 -6.775 1.00 0.00 H new ATOM 0 HA THR A 31 1.848 13.680 -8.799 1.00 0.00 H new ATOM 0 HB THR A 31 2.860 15.806 -8.898 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.017 15.255 -8.086 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.917 16.931 -6.967 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.150 16.804 -6.800 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.212 15.703 -5.889 1.00 0.00 H new ATOM 446 N PHE A 32 3.024 12.296 -6.977 1.00 0.00 N ATOM 447 CA PHE A 32 3.368 11.300 -5.968 1.00 0.00 C ATOM 448 C PHE A 32 4.881 11.175 -5.822 1.00 0.00 C ATOM 449 O PHE A 32 5.609 11.129 -6.814 1.00 0.00 O ATOM 450 CB PHE A 32 2.760 9.944 -6.335 1.00 0.00 C ATOM 451 CG PHE A 32 3.267 8.804 -5.497 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.168 8.841 -4.116 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.843 7.695 -6.095 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.634 7.793 -3.347 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.311 6.643 -5.331 1.00 0.00 C ATOM 456 CZ PHE A 32 4.206 6.693 -3.955 1.00 0.00 C ATOM 0 H PHE A 32 3.490 12.165 -7.875 1.00 0.00 H new ATOM 0 HA PHE A 32 2.957 11.626 -5.012 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.676 10.003 -6.234 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.971 9.734 -7.383 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.721 9.699 -3.635 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.927 7.652 -7.171 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.551 7.834 -2.271 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.758 5.784 -5.809 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.571 5.873 -3.355 1.00 0.00 H new ATOM 466 N ASN A 33 5.348 11.123 -4.579 1.00 0.00 N ATOM 467 CA ASN A 33 6.775 11.005 -4.303 1.00 0.00 C ATOM 468 C ASN A 33 7.146 9.570 -3.942 1.00 0.00 C ATOM 469 O ASN A 33 8.022 8.970 -4.565 1.00 0.00 O ATOM 470 CB ASN A 33 7.175 11.949 -3.168 1.00 0.00 C ATOM 471 CG ASN A 33 8.235 12.946 -3.591 1.00 0.00 C ATOM 472 OD1 ASN A 33 9.125 12.627 -4.380 1.00 0.00 O ATOM 473 ND2 ASN A 33 8.146 14.163 -3.067 1.00 0.00 N ATOM 0 H ASN A 33 4.759 11.161 -3.747 1.00 0.00 H new ATOM 0 HA ASN A 33 7.317 11.283 -5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.293 12.487 -2.819 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.546 11.364 -2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.832 14.876 -3.315 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.392 14.384 -2.417 1.00 0.00 H new ATOM 480 N GLY A 34 6.477 9.027 -2.930 1.00 0.00 N ATOM 481 CA GLY A 34 6.754 7.668 -2.503 1.00 0.00 C ATOM 482 C GLY A 34 6.041 7.307 -1.214 1.00 0.00 C ATOM 483 O GLY A 34 5.496 8.177 -0.533 1.00 0.00 O ATOM 0 H GLY A 34 5.748 9.503 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.451 6.975 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.828 7.545 -2.367 1.00 0.00 H new ATOM 487 N ILE A 35 6.047 6.021 -0.876 1.00 0.00 N ATOM 488 CA ILE A 35 5.406 5.546 0.338 1.00 0.00 C ATOM 489 C ILE A 35 6.457 5.253 1.403 1.00 0.00 C ATOM 490 O ILE A 35 7.024 4.160 1.455 1.00 0.00 O ATOM 491 CB ILE A 35 4.582 4.276 0.076 1.00 0.00 C ATOM 492 CG1 ILE A 35 4.094 4.229 -1.375 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.398 4.210 1.028 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.602 2.864 -1.803 1.00 0.00 C ATOM 0 H ILE A 35 6.492 5.289 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 35 4.733 6.329 0.686 1.00 0.00 H new ATOM 0 HB ILE A 35 5.225 3.413 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.289 4.953 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.907 4.536 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.823 3.305 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.759 4.194 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.763 5.083 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.272 2.905 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.411 2.139 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.768 2.563 -1.169 1.00 0.00 H new ATOM 506 N SER A 36 6.724 6.248 2.235 1.00 0.00 N ATOM 507 CA SER A 36 7.729 6.126 3.293 1.00 0.00 C ATOM 508 C SER A 36 7.453 4.944 4.200 1.00 0.00 C ATOM 509 O SER A 36 8.370 4.195 4.538 1.00 0.00 O ATOM 510 CB SER A 36 7.805 7.414 4.113 1.00 0.00 C ATOM 511 OG SER A 36 8.002 8.541 3.277 1.00 0.00 O ATOM 0 H SER A 36 6.259 7.155 2.202 1.00 0.00 H new ATOM 0 HA SER A 36 8.690 5.955 2.809 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.886 7.539 4.686 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.621 7.343 4.832 1.00 0.00 H new ATOM 0 HG SER A 36 8.045 9.352 3.826 1.00 0.00 H new ATOM 517 N GLU A 37 6.199 4.763 4.587 1.00 0.00 N ATOM 518 CA GLU A 37 5.840 3.647 5.443 1.00 0.00 C ATOM 519 C GLU A 37 6.588 2.398 4.979 1.00 0.00 C ATOM 520 O GLU A 37 6.958 1.544 5.785 1.00 0.00 O ATOM 521 CB GLU A 37 4.322 3.449 5.428 1.00 0.00 C ATOM 522 CG GLU A 37 3.870 1.998 5.419 1.00 0.00 C ATOM 523 CD GLU A 37 3.442 1.560 4.038 1.00 0.00 C ATOM 524 OE1 GLU A 37 3.152 2.451 3.208 1.00 0.00 O ATOM 525 OE2 GLU A 37 3.388 0.337 3.789 1.00 0.00 O ATOM 0 H GLU A 37 5.422 5.369 4.324 1.00 0.00 H new ATOM 0 HA GLU A 37 6.131 3.850 6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.896 3.942 6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.913 3.948 4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.682 1.361 5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.042 1.870 6.116 1.00 0.00 H new ATOM 532 N LEU A 38 6.846 2.327 3.671 1.00 0.00 N ATOM 533 CA LEU A 38 7.588 1.229 3.097 1.00 0.00 C ATOM 534 C LEU A 38 8.618 1.756 2.103 1.00 0.00 C ATOM 535 O LEU A 38 8.371 1.848 0.904 1.00 0.00 O ATOM 536 CB LEU A 38 6.654 0.214 2.448 1.00 0.00 C ATOM 537 CG LEU A 38 6.006 0.621 1.123 1.00 0.00 C ATOM 538 CD1 LEU A 38 5.735 -0.607 0.267 1.00 0.00 C ATOM 539 CD2 LEU A 38 4.719 1.378 1.374 1.00 0.00 C ATOM 0 H LEU A 38 6.544 3.028 2.994 1.00 0.00 H new ATOM 0 HA LEU A 38 8.119 0.712 3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.214 -0.706 2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.860 -0.019 3.157 1.00 0.00 H new ATOM 0 HG LEU A 38 6.695 1.275 0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.274 -0.301 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.674 -1.121 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.063 -1.280 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.271 1.660 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.026 0.744 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.932 2.276 1.955 1.00 0.00 H new ATOM 551 N GLN A 39 9.769 2.126 2.649 1.00 0.00 N ATOM 552 CA GLN A 39 10.878 2.683 1.898 1.00 0.00 C ATOM 553 C GLN A 39 10.927 2.115 0.501 1.00 0.00 C ATOM 554 O GLN A 39 11.568 1.106 0.225 1.00 0.00 O ATOM 555 CB GLN A 39 12.208 2.422 2.616 1.00 0.00 C ATOM 556 CG GLN A 39 12.147 1.315 3.658 1.00 0.00 C ATOM 557 CD GLN A 39 13.375 0.425 3.635 1.00 0.00 C ATOM 558 OE1 GLN A 39 13.267 -0.801 3.597 1.00 0.00 O ATOM 559 NE2 GLN A 39 14.552 1.040 3.657 1.00 0.00 N ATOM 0 H GLN A 39 9.958 2.044 3.648 1.00 0.00 H new ATOM 0 HA GLN A 39 10.722 3.760 1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.964 2.166 1.874 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.534 3.343 3.099 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.043 1.758 4.648 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.259 0.707 3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.595 2.059 3.688 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.413 0.494 3.642 1.00 0.00 H new ATOM 568 N SER A 40 10.209 2.823 -0.343 1.00 0.00 N ATOM 569 CA SER A 40 10.043 2.547 -1.778 1.00 0.00 C ATOM 570 C SER A 40 10.629 1.219 -2.214 1.00 0.00 C ATOM 571 O SER A 40 10.025 0.498 -3.003 1.00 0.00 O ATOM 572 CB SER A 40 10.657 3.678 -2.604 1.00 0.00 C ATOM 573 OG SER A 40 10.542 4.921 -1.934 1.00 0.00 O ATOM 0 H SER A 40 9.694 3.651 -0.045 1.00 0.00 H new ATOM 0 HA SER A 40 8.969 2.486 -1.954 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.708 3.462 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.160 3.736 -3.572 1.00 0.00 H new ATOM 0 HG SER A 40 10.944 5.627 -2.483 1.00 0.00 H new ATOM 579 N SER A 41 11.797 0.897 -1.710 1.00 0.00 N ATOM 580 CA SER A 41 12.435 -0.361 -2.060 1.00 0.00 C ATOM 581 C SER A 41 11.451 -1.509 -1.867 1.00 0.00 C ATOM 582 O SER A 41 11.529 -2.533 -2.545 1.00 0.00 O ATOM 583 CB SER A 41 13.693 -0.584 -1.225 1.00 0.00 C ATOM 584 OG SER A 41 13.926 -1.965 -1.003 1.00 0.00 O ATOM 0 H SER A 41 12.326 1.480 -1.061 1.00 0.00 H new ATOM 0 HA SER A 41 12.733 -0.322 -3.108 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.552 -0.145 -1.733 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.593 -0.072 -0.268 1.00 0.00 H new ATOM 0 HG SER A 41 14.739 -2.078 -0.467 1.00 0.00 H new ATOM 590 N GLN A 42 10.509 -1.315 -0.947 1.00 0.00 N ATOM 591 CA GLN A 42 9.493 -2.294 -0.662 1.00 0.00 C ATOM 592 C GLN A 42 8.608 -2.510 -1.879 1.00 0.00 C ATOM 593 O GLN A 42 8.085 -3.602 -2.118 1.00 0.00 O ATOM 594 CB GLN A 42 8.658 -1.763 0.489 1.00 0.00 C ATOM 595 CG GLN A 42 9.423 -1.581 1.788 1.00 0.00 C ATOM 596 CD GLN A 42 10.934 -1.605 1.631 1.00 0.00 C ATOM 597 OE1 GLN A 42 11.603 -0.584 1.781 1.00 0.00 O ATOM 598 NE2 GLN A 42 11.480 -2.780 1.338 1.00 0.00 N ATOM 0 H GLN A 42 10.439 -0.468 -0.383 1.00 0.00 H new ATOM 0 HA GLN A 42 9.951 -3.249 -0.404 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.228 -0.805 0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.827 -2.446 0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.131 -0.632 2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.129 -2.368 2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.888 -3.603 1.222 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.491 -2.860 1.229 1.00 0.00 H new ATOM 607 N TYR A 43 8.445 -1.440 -2.630 1.00 0.00 N ATOM 608 CA TYR A 43 7.618 -1.453 -3.831 1.00 0.00 C ATOM 609 C TYR A 43 8.396 -1.005 -5.060 1.00 0.00 C ATOM 610 O TYR A 43 9.606 -0.788 -5.015 1.00 0.00 O ATOM 611 CB TYR A 43 6.383 -0.563 -3.641 1.00 0.00 C ATOM 612 CG TYR A 43 6.690 0.914 -3.491 1.00 0.00 C ATOM 613 CD1 TYR A 43 7.227 1.650 -4.542 1.00 0.00 C ATOM 614 CD2 TYR A 43 6.431 1.574 -2.297 1.00 0.00 C ATOM 615 CE1 TYR A 43 7.498 2.998 -4.404 1.00 0.00 C ATOM 616 CE2 TYR A 43 6.697 2.922 -2.152 1.00 0.00 C ATOM 617 CZ TYR A 43 7.231 3.629 -3.208 1.00 0.00 C ATOM 618 OH TYR A 43 7.498 4.972 -3.068 1.00 0.00 O ATOM 0 H TYR A 43 8.878 -0.538 -2.431 1.00 0.00 H new ATOM 0 HA TYR A 43 7.300 -2.483 -3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.718 -0.698 -4.494 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.840 -0.900 -2.758 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.436 1.160 -5.481 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.014 1.024 -1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.917 3.554 -5.229 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.488 3.419 -1.216 1.00 0.00 H new ATOM 0 HH TYR A 43 8.390 5.089 -2.679 1.00 0.00 H new ATOM 628 N THR A 44 7.664 -0.867 -6.152 1.00 0.00 N ATOM 629 CA THR A 44 8.212 -0.440 -7.425 1.00 0.00 C ATOM 630 C THR A 44 7.271 0.575 -8.055 1.00 0.00 C ATOM 631 O THR A 44 6.328 0.218 -8.764 1.00 0.00 O ATOM 632 CB THR A 44 8.403 -1.636 -8.358 1.00 0.00 C ATOM 633 OG1 THR A 44 8.732 -2.800 -7.621 1.00 0.00 O ATOM 634 CG2 THR A 44 9.491 -1.423 -9.389 1.00 0.00 C ATOM 0 H THR A 44 6.661 -1.051 -6.178 1.00 0.00 H new ATOM 0 HA THR A 44 9.187 0.018 -7.261 1.00 0.00 H new ATOM 0 HB THR A 44 7.451 -1.753 -8.876 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.848 -3.554 -8.236 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.574 -2.309 -10.018 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.242 -0.561 -10.008 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.441 -1.246 -8.884 1.00 0.00 H new ATOM 642 N LYS A 45 7.518 1.840 -7.758 1.00 0.00 N ATOM 643 CA LYS A 45 6.684 2.925 -8.260 1.00 0.00 C ATOM 644 C LYS A 45 6.841 3.102 -9.764 1.00 0.00 C ATOM 645 O LYS A 45 7.796 2.620 -10.373 1.00 0.00 O ATOM 646 CB LYS A 45 7.028 4.238 -7.541 1.00 0.00 C ATOM 647 CG LYS A 45 6.978 5.474 -8.430 1.00 0.00 C ATOM 648 CD LYS A 45 7.396 6.723 -7.670 1.00 0.00 C ATOM 649 CE LYS A 45 8.908 6.872 -7.633 1.00 0.00 C ATOM 650 NZ LYS A 45 9.323 8.187 -7.072 1.00 0.00 N ATOM 0 H LYS A 45 8.293 2.144 -7.169 1.00 0.00 H new ATOM 0 HA LYS A 45 5.645 2.663 -8.057 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.336 4.375 -6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.027 4.153 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.634 5.333 -9.289 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.968 5.604 -8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.954 7.601 -8.140 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.009 6.678 -6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.337 6.070 -7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.308 6.765 -8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.347 8.179 -6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.098 8.941 -7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.815 8.361 -6.182 1.00 0.00 H new ATOM 664 N GLY A 46 5.883 3.810 -10.341 1.00 0.00 N ATOM 665 CA GLY A 46 5.885 4.076 -11.760 1.00 0.00 C ATOM 666 C GLY A 46 5.072 5.310 -12.095 1.00 0.00 C ATOM 667 O GLY A 46 3.965 5.204 -12.622 1.00 0.00 O ATOM 0 H GLY A 46 5.091 4.211 -9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.910 4.210 -12.105 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.479 3.216 -12.293 1.00 0.00 H new ATOM 671 N THR A 47 5.627 6.481 -11.766 1.00 0.00 N ATOM 672 CA THR A 47 4.970 7.772 -12.017 1.00 0.00 C ATOM 673 C THR A 47 3.516 7.599 -12.455 1.00 0.00 C ATOM 674 O THR A 47 3.245 7.173 -13.578 1.00 0.00 O ATOM 675 CB THR A 47 5.740 8.555 -13.080 1.00 0.00 C ATOM 676 OG1 THR A 47 5.093 9.783 -13.366 1.00 0.00 O ATOM 677 CG2 THR A 47 5.892 7.803 -14.385 1.00 0.00 C ATOM 0 H THR A 47 6.541 6.563 -11.320 1.00 0.00 H new ATOM 0 HA THR A 47 4.971 8.326 -11.078 1.00 0.00 H new ATOM 0 HB THR A 47 6.731 8.719 -12.656 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.602 10.270 -14.047 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.448 8.415 -15.095 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.432 6.873 -14.208 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.906 7.579 -14.793 1.00 0.00 H new ATOM 685 N ASN A 48 2.592 7.925 -11.554 1.00 0.00 N ATOM 686 CA ASN A 48 1.158 7.802 -11.818 1.00 0.00 C ATOM 687 C ASN A 48 0.650 6.437 -11.367 1.00 0.00 C ATOM 688 O ASN A 48 -0.554 6.215 -11.248 1.00 0.00 O ATOM 689 CB ASN A 48 0.838 8.023 -13.300 1.00 0.00 C ATOM 690 CG ASN A 48 1.564 9.222 -13.878 1.00 0.00 C ATOM 691 OD1 ASN A 48 1.889 10.169 -13.162 1.00 0.00 O ATOM 692 ND2 ASN A 48 1.822 9.187 -15.180 1.00 0.00 N ATOM 0 H ASN A 48 2.813 8.280 -10.624 1.00 0.00 H new ATOM 0 HA ASN A 48 0.648 8.578 -11.247 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.110 7.131 -13.864 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.237 8.160 -13.420 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.308 9.966 -15.625 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.534 8.381 -15.735 1.00 0.00 H new ATOM 699 N GLU A 49 1.581 5.530 -11.111 1.00 0.00 N ATOM 700 CA GLU A 49 1.242 4.188 -10.660 1.00 0.00 C ATOM 701 C GLU A 49 2.358 3.621 -9.804 1.00 0.00 C ATOM 702 O GLU A 49 3.463 4.147 -9.798 1.00 0.00 O ATOM 703 CB GLU A 49 1.007 3.266 -11.853 1.00 0.00 C ATOM 704 CG GLU A 49 -0.438 3.217 -12.318 1.00 0.00 C ATOM 705 CD GLU A 49 -0.571 3.346 -13.823 1.00 0.00 C ATOM 706 OE1 GLU A 49 -0.064 2.459 -14.542 1.00 0.00 O ATOM 707 OE2 GLU A 49 -1.181 4.334 -14.283 1.00 0.00 O ATOM 0 H GLU A 49 2.582 5.700 -11.208 1.00 0.00 H new ATOM 0 HA GLU A 49 0.328 4.251 -10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.634 3.594 -12.682 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.328 2.258 -11.590 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.888 2.278 -11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.998 4.019 -11.837 1.00 0.00 H new ATOM 714 N VAL A 50 2.066 2.548 -9.087 1.00 0.00 N ATOM 715 CA VAL A 50 3.059 1.911 -8.237 1.00 0.00 C ATOM 716 C VAL A 50 2.610 0.530 -7.802 1.00 0.00 C ATOM 717 O VAL A 50 1.479 0.340 -7.364 1.00 0.00 O ATOM 718 CB VAL A 50 3.363 2.765 -7.006 1.00 0.00 C ATOM 719 CG1 VAL A 50 2.086 3.354 -6.434 1.00 0.00 C ATOM 720 CG2 VAL A 50 4.121 1.968 -5.952 1.00 0.00 C ATOM 0 H VAL A 50 1.150 2.100 -9.077 1.00 0.00 H new ATOM 0 HA VAL A 50 3.969 1.811 -8.829 1.00 0.00 H new ATOM 0 HB VAL A 50 4.006 3.588 -7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.324 3.958 -5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.605 3.979 -7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.411 2.548 -6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.322 2.604 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.521 1.113 -5.641 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.064 1.616 -6.370 1.00 0.00 H new ATOM 730 N THR A 51 3.512 -0.429 -7.936 1.00 0.00 N ATOM 731 CA THR A 51 3.223 -1.812 -7.574 1.00 0.00 C ATOM 732 C THR A 51 4.035 -2.260 -6.368 1.00 0.00 C ATOM 733 O THR A 51 5.200 -1.898 -6.228 1.00 0.00 O ATOM 734 CB THR A 51 3.517 -2.726 -8.766 1.00 0.00 C ATOM 735 OG1 THR A 51 2.821 -3.953 -8.645 1.00 0.00 O ATOM 736 CG2 THR A 51 4.988 -3.048 -8.933 1.00 0.00 C ATOM 0 H THR A 51 4.455 -0.277 -8.294 1.00 0.00 H new ATOM 0 HA THR A 51 2.168 -1.877 -7.307 1.00 0.00 H new ATOM 0 HB THR A 51 3.184 -2.167 -9.640 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.368 -4.677 -9.015 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.122 -3.699 -9.797 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.548 -2.125 -9.084 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.354 -3.552 -8.038 1.00 0.00 H new ATOM 744 N LEU A 52 3.425 -3.070 -5.509 1.00 0.00 N ATOM 745 CA LEU A 52 4.117 -3.575 -4.337 1.00 0.00 C ATOM 746 C LEU A 52 4.571 -5.009 -4.570 1.00 0.00 C ATOM 747 O LEU A 52 3.899 -5.775 -5.264 1.00 0.00 O ATOM 748 CB LEU A 52 3.243 -3.485 -3.085 1.00 0.00 C ATOM 749 CG LEU A 52 1.734 -3.658 -3.270 1.00 0.00 C ATOM 750 CD1 LEU A 52 1.126 -2.481 -4.021 1.00 0.00 C ATOM 751 CD2 LEU A 52 1.426 -4.978 -3.952 1.00 0.00 C ATOM 0 H LEU A 52 2.460 -3.387 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 52 4.994 -2.949 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.585 -4.242 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.417 -2.514 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 52 1.273 -3.677 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.053 -2.637 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.302 -1.562 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.587 -2.400 -5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.348 -5.082 -4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.906 -5.003 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.803 -5.799 -3.342 1.00 0.00 H new ATOM 763 N LEU A 53 5.727 -5.364 -4.012 1.00 0.00 N ATOM 764 CA LEU A 53 6.270 -6.702 -4.194 1.00 0.00 C ATOM 765 C LEU A 53 5.996 -7.604 -2.994 1.00 0.00 C ATOM 766 O LEU A 53 6.361 -7.296 -1.858 1.00 0.00 O ATOM 767 CB LEU A 53 7.775 -6.632 -4.460 1.00 0.00 C ATOM 768 CG LEU A 53 8.172 -6.615 -5.937 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.672 -6.416 -6.084 1.00 0.00 C ATOM 770 CD2 LEU A 53 7.733 -7.901 -6.621 1.00 0.00 C ATOM 0 H LEU A 53 6.299 -4.747 -3.435 1.00 0.00 H new ATOM 0 HA LEU A 53 5.766 -7.139 -5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.171 -5.736 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.253 -7.486 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 53 7.667 -5.779 -6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.936 -6.407 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.959 -5.468 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.198 -7.231 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.023 -7.872 -7.671 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.210 -8.752 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.650 -8.001 -6.547 1.00 0.00 H new ATOM 782 N ALA A 54 5.366 -8.737 -3.270 1.00 0.00 N ATOM 783 CA ALA A 54 5.037 -9.720 -2.244 1.00 0.00 C ATOM 784 C ALA A 54 6.208 -9.989 -1.303 1.00 0.00 C ATOM 785 O ALA A 54 6.037 -10.621 -0.266 1.00 0.00 O ATOM 786 CB ALA A 54 4.591 -11.019 -2.896 1.00 0.00 C ATOM 0 H ALA A 54 5.068 -9.002 -4.209 1.00 0.00 H new ATOM 0 HA ALA A 54 4.225 -9.306 -1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.347 -11.749 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.711 -10.834 -3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.395 -11.407 -3.521 1.00 0.00 H new ATOM 792 N SER A 55 7.395 -9.512 -1.661 1.00 0.00 N ATOM 793 CA SER A 55 8.572 -9.719 -0.828 1.00 0.00 C ATOM 794 C SER A 55 8.470 -8.894 0.442 1.00 0.00 C ATOM 795 O SER A 55 8.681 -9.397 1.545 1.00 0.00 O ATOM 796 CB SER A 55 9.846 -9.358 -1.594 1.00 0.00 C ATOM 797 OG SER A 55 9.547 -8.954 -2.919 1.00 0.00 O ATOM 0 H SER A 55 7.567 -8.983 -2.516 1.00 0.00 H new ATOM 0 HA SER A 55 8.620 -10.774 -0.558 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.371 -8.556 -1.075 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.517 -10.217 -1.615 1.00 0.00 H new ATOM 0 HG SER A 55 10.378 -8.727 -3.387 1.00 0.00 H new ATOM 803 N TYR A 56 8.121 -7.628 0.277 1.00 0.00 N ATOM 804 CA TYR A 56 7.962 -6.727 1.402 1.00 0.00 C ATOM 805 C TYR A 56 6.744 -7.142 2.201 1.00 0.00 C ATOM 806 O TYR A 56 6.820 -7.476 3.389 1.00 0.00 O ATOM 807 CB TYR A 56 7.782 -5.299 0.885 1.00 0.00 C ATOM 808 CG TYR A 56 6.945 -4.409 1.780 1.00 0.00 C ATOM 809 CD1 TYR A 56 7.440 -3.940 2.989 1.00 0.00 C ATOM 810 CD2 TYR A 56 5.659 -4.037 1.408 1.00 0.00 C ATOM 811 CE1 TYR A 56 6.677 -3.126 3.804 1.00 0.00 C ATOM 812 CE2 TYR A 56 4.890 -3.223 2.217 1.00 0.00 C ATOM 813 CZ TYR A 56 5.403 -2.770 3.413 1.00 0.00 C ATOM 814 OH TYR A 56 4.641 -1.958 4.220 1.00 0.00 O ATOM 0 H TYR A 56 7.942 -7.201 -0.632 1.00 0.00 H new ATOM 0 HA TYR A 56 8.845 -6.769 2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.765 -4.845 0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.320 -5.339 -0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.438 -4.216 3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.254 -4.390 0.471 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.076 -2.770 4.742 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.892 -2.943 1.914 1.00 0.00 H new ATOM 0 HH TYR A 56 4.221 -1.258 3.677 1.00 0.00 H new ATOM 824 N LEU A 57 5.618 -7.120 1.516 1.00 0.00 N ATOM 825 CA LEU A 57 4.351 -7.491 2.119 1.00 0.00 C ATOM 826 C LEU A 57 4.471 -8.818 2.856 1.00 0.00 C ATOM 827 O LEU A 57 4.039 -8.941 4.001 1.00 0.00 O ATOM 828 CB LEU A 57 3.262 -7.571 1.047 1.00 0.00 C ATOM 829 CG LEU A 57 1.933 -6.888 1.394 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.136 -5.750 2.385 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.262 -6.371 0.131 1.00 0.00 C ATOM 0 H LEU A 57 5.554 -6.847 0.535 1.00 0.00 H new ATOM 0 HA LEU A 57 4.076 -6.725 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.648 -7.127 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.064 -8.622 0.834 1.00 0.00 H new ATOM 0 HG LEU A 57 1.287 -7.630 1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.175 -5.287 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.574 -6.141 3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.805 -5.006 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.320 -5.888 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.916 -5.650 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.069 -7.204 -0.545 1.00 0.00 H new ATOM 843 N ASN A 58 5.066 -9.806 2.200 1.00 0.00 N ATOM 844 CA ASN A 58 5.245 -11.115 2.812 1.00 0.00 C ATOM 845 C ASN A 58 6.199 -11.030 3.998 1.00 0.00 C ATOM 846 O ASN A 58 6.116 -11.827 4.933 1.00 0.00 O ATOM 847 CB ASN A 58 5.774 -12.126 1.793 1.00 0.00 C ATOM 848 CG ASN A 58 5.986 -13.502 2.395 1.00 0.00 C ATOM 849 OD1 ASN A 58 6.953 -14.191 2.069 1.00 0.00 O ATOM 850 ND2 ASN A 58 5.082 -13.910 3.278 1.00 0.00 N ATOM 0 H ASN A 58 5.430 -9.727 1.251 1.00 0.00 H new ATOM 0 HA ASN A 58 4.271 -11.452 3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.072 -12.201 0.962 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.716 -11.764 1.382 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.174 -14.827 3.715 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.296 -13.306 3.519 1.00 0.00 H new ATOM 857 N THR A 59 7.111 -10.063 3.949 1.00 0.00 N ATOM 858 CA THR A 59 8.087 -9.882 5.016 1.00 0.00 C ATOM 859 C THR A 59 7.421 -9.368 6.281 1.00 0.00 C ATOM 860 O THR A 59 7.814 -9.726 7.392 1.00 0.00 O ATOM 861 CB THR A 59 9.196 -8.920 4.576 1.00 0.00 C ATOM 862 OG1 THR A 59 9.981 -9.492 3.544 1.00 0.00 O ATOM 863 CG2 THR A 59 10.133 -8.532 5.700 1.00 0.00 C ATOM 0 H THR A 59 7.193 -9.395 3.183 1.00 0.00 H new ATOM 0 HA THR A 59 8.531 -10.854 5.231 1.00 0.00 H new ATOM 0 HB THR A 59 8.678 -8.026 4.228 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.395 -9.810 2.826 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.894 -7.850 5.320 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.568 -8.041 6.492 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.613 -9.426 6.098 1.00 0.00 H new ATOM 871 N LEU A 60 6.415 -8.527 6.108 1.00 0.00 N ATOM 872 CA LEU A 60 5.694 -7.961 7.240 1.00 0.00 C ATOM 873 C LEU A 60 5.386 -9.024 8.294 1.00 0.00 C ATOM 874 O LEU A 60 4.884 -10.101 7.976 1.00 0.00 O ATOM 875 CB LEU A 60 4.405 -7.310 6.760 1.00 0.00 C ATOM 876 CG LEU A 60 4.537 -5.832 6.414 1.00 0.00 C ATOM 877 CD1 LEU A 60 4.635 -5.001 7.684 1.00 0.00 C ATOM 878 CD2 LEU A 60 5.749 -5.595 5.526 1.00 0.00 C ATOM 0 H LEU A 60 6.078 -8.220 5.196 1.00 0.00 H new ATOM 0 HA LEU A 60 6.330 -7.207 7.703 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.047 -7.846 5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.645 -7.423 7.533 1.00 0.00 H new ATOM 0 HG LEU A 60 3.647 -5.524 5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.729 -3.947 7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.737 -5.147 8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.509 -5.312 8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.825 -4.534 5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.651 -5.917 6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.641 -6.165 4.603 1.00 0.00 H new ATOM 890 N PRO A 61 5.687 -8.728 9.571 1.00 0.00 N ATOM 891 CA PRO A 61 5.445 -9.657 10.682 1.00 0.00 C ATOM 892 C PRO A 61 3.986 -10.085 10.782 1.00 0.00 C ATOM 893 O PRO A 61 3.221 -9.963 9.825 1.00 0.00 O ATOM 894 CB PRO A 61 5.844 -8.851 11.922 1.00 0.00 C ATOM 895 CG PRO A 61 6.766 -7.797 11.416 1.00 0.00 C ATOM 896 CD PRO A 61 6.290 -7.465 10.031 1.00 0.00 C ATOM 0 HA PRO A 61 6.006 -10.583 10.557 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.971 -8.413 12.406 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.335 -9.483 12.662 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.743 -6.917 12.058 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.796 -8.154 11.400 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.564 -6.652 10.039 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.112 -7.153 9.387 1.00 0.00 H new ATOM 904 N GLU A 62 3.615 -10.593 11.952 1.00 0.00 N ATOM 905 CA GLU A 62 2.262 -11.052 12.208 1.00 0.00 C ATOM 906 C GLU A 62 1.229 -10.001 11.849 1.00 0.00 C ATOM 907 O GLU A 62 1.535 -9.007 11.197 1.00 0.00 O ATOM 908 CB GLU A 62 2.123 -11.434 13.680 1.00 0.00 C ATOM 909 CG GLU A 62 2.350 -12.909 13.942 1.00 0.00 C ATOM 910 CD GLU A 62 3.744 -13.363 13.556 1.00 0.00 C ATOM 911 OE1 GLU A 62 4.649 -12.505 13.482 1.00 0.00 O ATOM 912 OE2 GLU A 62 3.931 -14.576 13.328 1.00 0.00 O ATOM 0 H GLU A 62 4.246 -10.697 12.747 1.00 0.00 H new ATOM 0 HA GLU A 62 2.079 -11.922 11.577 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.835 -10.854 14.267 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.127 -11.160 14.026 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.185 -13.116 14.999 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.615 -13.490 13.385 1.00 0.00 H new ATOM 919 N ASN A 63 0.000 -10.264 12.271 1.00 0.00 N ATOM 920 CA ASN A 63 -1.133 -9.401 12.011 1.00 0.00 C ATOM 921 C ASN A 63 -0.771 -7.923 12.114 1.00 0.00 C ATOM 922 O ASN A 63 -1.231 -7.221 13.015 1.00 0.00 O ATOM 923 CB ASN A 63 -2.267 -9.719 12.987 1.00 0.00 C ATOM 924 CG ASN A 63 -3.619 -9.779 12.307 1.00 0.00 C ATOM 925 OD1 ASN A 63 -3.891 -9.028 11.370 1.00 0.00 O ATOM 926 ND2 ASN A 63 -4.477 -10.676 12.778 1.00 0.00 N ATOM 0 H ASN A 63 -0.237 -11.096 12.811 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.455 -9.592 10.987 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.066 -10.674 13.473 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.291 -8.961 13.770 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.404 -10.763 12.361 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.209 -11.278 13.557 1.00 0.00 H new ATOM 933 N THR A 64 0.046 -7.455 11.182 1.00 0.00 N ATOM 934 CA THR A 64 0.458 -6.058 11.163 1.00 0.00 C ATOM 935 C THR A 64 -0.442 -5.254 10.234 1.00 0.00 C ATOM 936 O THR A 64 -0.917 -5.766 9.222 1.00 0.00 O ATOM 937 CB THR A 64 1.915 -5.934 10.717 1.00 0.00 C ATOM 938 OG1 THR A 64 2.232 -6.923 9.753 1.00 0.00 O ATOM 939 CG2 THR A 64 2.903 -6.069 11.855 1.00 0.00 C ATOM 0 H THR A 64 0.437 -8.021 10.429 1.00 0.00 H new ATOM 0 HA THR A 64 0.368 -5.660 12.174 1.00 0.00 H new ATOM 0 HB THR A 64 2.003 -4.932 10.297 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.360 -7.786 10.200 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.918 -5.971 11.469 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.718 -5.288 12.592 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.786 -7.046 12.325 1.00 0.00 H new ATOM 947 N THR A 65 -0.679 -3.997 10.582 1.00 0.00 N ATOM 948 CA THR A 65 -1.529 -3.135 9.775 1.00 0.00 C ATOM 949 C THR A 65 -0.694 -2.185 8.928 1.00 0.00 C ATOM 950 O THR A 65 -0.544 -1.008 9.260 1.00 0.00 O ATOM 951 CB THR A 65 -2.461 -2.330 10.669 1.00 0.00 C ATOM 952 OG1 THR A 65 -2.620 -2.959 11.928 1.00 0.00 O ATOM 953 CG2 THR A 65 -3.838 -2.126 10.076 1.00 0.00 C ATOM 0 H THR A 65 -0.295 -3.553 11.416 1.00 0.00 H new ATOM 0 HA THR A 65 -2.118 -3.769 9.112 1.00 0.00 H new ATOM 0 HB THR A 65 -1.984 -1.355 10.774 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.221 -2.424 12.487 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.449 -1.545 10.766 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.751 -1.592 9.130 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.307 -3.095 9.904 1.00 0.00 H new ATOM 961 N LYS A 66 -0.158 -2.699 7.833 1.00 0.00 N ATOM 962 CA LYS A 66 0.646 -1.921 6.938 1.00 0.00 C ATOM 963 C LYS A 66 -0.183 -0.831 6.284 1.00 0.00 C ATOM 964 O LYS A 66 -1.336 -1.050 5.931 1.00 0.00 O ATOM 965 CB LYS A 66 1.223 -2.856 5.890 1.00 0.00 C ATOM 966 CG LYS A 66 2.639 -3.307 6.182 1.00 0.00 C ATOM 967 CD LYS A 66 3.509 -2.162 6.668 1.00 0.00 C ATOM 968 CE LYS A 66 3.524 -2.066 8.186 1.00 0.00 C ATOM 969 NZ LYS A 66 4.908 -2.116 8.732 1.00 0.00 N ATOM 0 H LYS A 66 -0.276 -3.672 7.549 1.00 0.00 H new ATOM 0 HA LYS A 66 1.451 -1.433 7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.582 -3.734 5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.204 -2.356 4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.621 -4.094 6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.076 -3.738 5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.527 -2.299 6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.143 -1.225 6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.045 -1.137 8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.938 -2.883 8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.006 -2.943 9.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.588 -2.190 7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.099 -1.249 9.275 1.00 0.00 H new ATOM 983 N THR A 67 0.398 0.348 6.142 1.00 0.00 N ATOM 984 CA THR A 67 -0.310 1.460 5.541 1.00 0.00 C ATOM 985 C THR A 67 0.486 2.093 4.423 1.00 0.00 C ATOM 986 O THR A 67 1.419 2.859 4.652 1.00 0.00 O ATOM 987 CB THR A 67 -0.644 2.478 6.607 1.00 0.00 C ATOM 988 OG1 THR A 67 -1.746 3.281 6.221 1.00 0.00 O ATOM 989 CG2 THR A 67 0.501 3.399 6.971 1.00 0.00 C ATOM 0 H THR A 67 1.353 0.557 6.434 1.00 0.00 H new ATOM 0 HA THR A 67 -1.232 1.083 5.099 1.00 0.00 H new ATOM 0 HB THR A 67 -0.882 1.880 7.486 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.942 3.930 6.929 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.175 4.097 7.742 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.338 2.809 7.345 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.816 3.955 6.088 1.00 0.00 H new ATOM 997 N LEU A 68 0.081 1.778 3.211 1.00 0.00 N ATOM 998 CA LEU A 68 0.726 2.313 2.025 1.00 0.00 C ATOM 999 C LEU A 68 0.436 3.796 1.933 1.00 0.00 C ATOM 1000 O LEU A 68 -0.474 4.225 1.224 1.00 0.00 O ATOM 1001 CB LEU A 68 0.228 1.597 0.770 1.00 0.00 C ATOM 1002 CG LEU A 68 1.272 0.734 0.060 1.00 0.00 C ATOM 1003 CD1 LEU A 68 1.673 -0.445 0.932 1.00 0.00 C ATOM 1004 CD2 LEU A 68 0.740 0.250 -1.281 1.00 0.00 C ATOM 0 H LEU A 68 -0.698 1.149 3.018 1.00 0.00 H new ATOM 0 HA LEU A 68 1.802 2.153 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.619 0.966 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.143 2.343 0.067 1.00 0.00 H new ATOM 0 HG LEU A 68 2.157 1.344 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.416 -1.047 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.095 -0.079 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.795 -1.056 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.496 -0.363 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.161 -0.343 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.503 1.108 -1.910 1.00 0.00 H new ATOM 1016 N THR A 69 1.206 4.574 2.681 1.00 0.00 N ATOM 1017 CA THR A 69 1.016 6.016 2.708 1.00 0.00 C ATOM 1018 C THR A 69 1.664 6.670 1.499 1.00 0.00 C ATOM 1019 O THR A 69 2.810 7.116 1.559 1.00 0.00 O ATOM 1020 CB THR A 69 1.591 6.607 3.996 1.00 0.00 C ATOM 1021 OG1 THR A 69 1.790 5.595 4.967 1.00 0.00 O ATOM 1022 CG2 THR A 69 0.706 7.668 4.614 1.00 0.00 C ATOM 0 H THR A 69 1.963 4.233 3.273 1.00 0.00 H new ATOM 0 HA THR A 69 -0.055 6.216 2.676 1.00 0.00 H new ATOM 0 HB THR A 69 2.536 7.067 3.706 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.160 5.993 5.783 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.172 8.046 5.524 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.573 8.487 3.908 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.265 7.236 4.856 1.00 0.00 H new ATOM 1030 N PHE A 70 0.925 6.723 0.399 1.00 0.00 N ATOM 1031 CA PHE A 70 1.427 7.320 -0.823 1.00 0.00 C ATOM 1032 C PHE A 70 1.552 8.832 -0.662 1.00 0.00 C ATOM 1033 O PHE A 70 0.553 9.551 -0.630 1.00 0.00 O ATOM 1034 CB PHE A 70 0.492 6.974 -1.981 1.00 0.00 C ATOM 1035 CG PHE A 70 0.444 5.502 -2.302 1.00 0.00 C ATOM 1036 CD1 PHE A 70 1.387 4.939 -3.145 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -0.544 4.690 -1.769 1.00 0.00 C ATOM 1038 CE1 PHE A 70 1.348 3.593 -3.451 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -0.588 3.341 -2.075 1.00 0.00 C ATOM 1040 CZ PHE A 70 0.360 2.793 -2.917 1.00 0.00 C ATOM 0 H PHE A 70 -0.025 6.358 0.332 1.00 0.00 H new ATOM 0 HA PHE A 70 2.418 6.921 -1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.514 7.317 -1.739 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.810 7.520 -2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.163 5.560 -3.568 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.286 5.114 -1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.091 3.167 -4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.363 2.717 -1.656 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.327 1.740 -3.157 1.00 0.00 H new ATOM 1050 N ASP A 71 2.788 9.309 -0.547 1.00 0.00 N ATOM 1051 CA ASP A 71 3.037 10.734 -0.371 1.00 0.00 C ATOM 1052 C ASP A 71 2.703 11.511 -1.631 1.00 0.00 C ATOM 1053 O ASP A 71 3.483 11.558 -2.582 1.00 0.00 O ATOM 1054 CB ASP A 71 4.489 10.979 0.016 1.00 0.00 C ATOM 1055 CG ASP A 71 4.801 12.453 0.190 1.00 0.00 C ATOM 1056 OD1 ASP A 71 4.068 13.130 0.943 1.00 0.00 O ATOM 1057 OD2 ASP A 71 5.776 12.930 -0.427 1.00 0.00 O ATOM 0 H ASP A 71 3.629 8.732 -0.572 1.00 0.00 H new ATOM 0 HA ASP A 71 2.389 11.085 0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.708 10.452 0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.142 10.560 -0.750 1.00 0.00 H new ATOM 1062 N PHE A 72 1.534 12.124 -1.614 1.00 0.00 N ATOM 1063 CA PHE A 72 1.062 12.921 -2.738 1.00 0.00 C ATOM 1064 C PHE A 72 1.164 14.408 -2.420 1.00 0.00 C ATOM 1065 O PHE A 72 0.390 15.218 -2.928 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.385 12.560 -3.076 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.510 11.593 -4.218 1.00 0.00 C ATOM 1068 CD1 PHE A 72 -0.472 10.228 -3.992 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -0.665 12.051 -5.516 1.00 0.00 C ATOM 1070 CE1 PHE A 72 -0.585 9.335 -5.039 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -0.778 11.164 -6.568 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.738 9.804 -6.330 1.00 0.00 C ATOM 0 H PHE A 72 0.886 12.086 -0.827 1.00 0.00 H new ATOM 0 HA PHE A 72 1.692 12.703 -3.600 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.860 12.131 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.931 13.471 -3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.353 9.857 -2.985 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.698 13.113 -5.707 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.554 8.272 -4.849 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.898 11.533 -7.576 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.826 9.108 -7.151 1.00 0.00 H new ATOM 1082 N GLY A 73 2.121 14.761 -1.566 1.00 0.00 N ATOM 1083 CA GLY A 73 2.304 16.146 -1.190 1.00 0.00 C ATOM 1084 C GLY A 73 1.245 16.637 -0.219 1.00 0.00 C ATOM 1085 O GLY A 73 1.341 17.747 0.304 1.00 0.00 O ATOM 0 H GLY A 73 2.772 14.109 -1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.289 16.268 -0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.285 16.767 -2.086 1.00 0.00 H new ATOM 1089 N VAL A 74 0.233 15.809 0.025 1.00 0.00 N ATOM 1090 CA VAL A 74 -0.843 16.164 0.939 1.00 0.00 C ATOM 1091 C VAL A 74 -1.024 15.093 2.007 1.00 0.00 C ATOM 1092 O VAL A 74 -2.145 14.682 2.307 1.00 0.00 O ATOM 1093 CB VAL A 74 -2.176 16.358 0.194 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -2.132 17.616 -0.661 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.496 15.138 -0.656 1.00 0.00 C ATOM 0 H VAL A 74 0.138 14.886 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.561 17.106 1.410 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.969 16.476 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.083 17.737 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.954 18.483 -0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.328 17.531 -1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.442 15.294 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.702 14.985 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.574 14.259 -0.016 1.00 0.00 H new ATOM 1105 N GLY A 75 0.092 14.644 2.579 1.00 0.00 N ATOM 1106 CA GLY A 75 0.047 13.620 3.612 1.00 0.00 C ATOM 1107 C GLY A 75 -1.115 13.796 4.567 1.00 0.00 C ATOM 1108 O GLY A 75 -1.632 12.823 5.115 1.00 0.00 O ATOM 0 H GLY A 75 1.029 14.972 2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.022 12.639 3.141 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.980 13.639 4.176 1.00 0.00 H new ATOM 1112 N THR A 76 -1.524 15.042 4.761 1.00 0.00 N ATOM 1113 CA THR A 76 -2.634 15.366 5.653 1.00 0.00 C ATOM 1114 C THR A 76 -3.760 14.344 5.527 1.00 0.00 C ATOM 1115 O THR A 76 -4.288 13.859 6.528 1.00 0.00 O ATOM 1116 CB THR A 76 -3.169 16.761 5.337 1.00 0.00 C ATOM 1117 OG1 THR A 76 -2.171 17.743 5.553 1.00 0.00 O ATOM 1118 CG2 THR A 76 -4.377 17.142 6.165 1.00 0.00 C ATOM 0 H THR A 76 -1.101 15.853 4.309 1.00 0.00 H new ATOM 0 HA THR A 76 -2.261 15.341 6.677 1.00 0.00 H new ATOM 0 HB THR A 76 -3.466 16.725 4.289 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.533 18.629 5.343 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.705 18.144 5.890 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.183 16.432 5.980 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.114 17.124 7.223 1.00 0.00 H new ATOM 1126 N LYS A 77 -4.118 14.019 4.291 1.00 0.00 N ATOM 1127 CA LYS A 77 -5.172 13.056 4.028 1.00 0.00 C ATOM 1128 C LYS A 77 -4.831 12.197 2.816 1.00 0.00 C ATOM 1129 O LYS A 77 -5.704 11.552 2.235 1.00 0.00 O ATOM 1130 CB LYS A 77 -6.506 13.771 3.807 1.00 0.00 C ATOM 1131 CG LYS A 77 -6.478 14.771 2.662 1.00 0.00 C ATOM 1132 CD LYS A 77 -7.389 15.956 2.936 1.00 0.00 C ATOM 1133 CE LYS A 77 -6.625 17.114 3.558 1.00 0.00 C ATOM 1134 NZ LYS A 77 -5.583 17.650 2.639 1.00 0.00 N ATOM 0 H LYS A 77 -3.689 14.412 3.453 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.261 12.405 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.279 13.028 3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.787 14.289 4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.458 15.123 2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.787 14.279 1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.853 16.283 2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.195 15.650 3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.322 17.910 3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.156 16.783 4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.275 18.586 2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.769 17.003 2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.977 17.736 1.680 1.00 0.00 H new ATOM 1148 N ASN A 78 -3.556 12.192 2.439 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.093 11.418 1.304 1.00 0.00 C ATOM 1150 C ASN A 78 -3.674 10.004 1.321 1.00 0.00 C ATOM 1151 O ASN A 78 -3.980 9.459 2.382 1.00 0.00 O ATOM 1152 CB ASN A 78 -1.566 11.377 1.317 1.00 0.00 C ATOM 1153 CG ASN A 78 -1.007 10.235 2.148 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -1.670 9.729 3.054 1.00 0.00 O ATOM 1155 ND2 ASN A 78 0.219 9.827 1.844 1.00 0.00 N ATOM 0 H ASN A 78 -2.823 12.722 2.911 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.436 11.896 0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.202 11.285 0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.187 12.322 1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.648 9.065 2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.732 10.275 1.085 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.838 9.393 0.138 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.389 8.042 0.020 1.00 0.00 C ATOM 1164 C PRO A 79 -3.542 7.001 0.746 1.00 0.00 C ATOM 1165 O PRO A 79 -2.534 6.519 0.220 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.395 7.771 -1.490 1.00 0.00 C ATOM 1167 CG PRO A 79 -3.451 8.769 -2.072 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.505 9.971 -1.173 1.00 0.00 C ATOM 0 HA PRO A 79 -5.377 7.974 0.476 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.074 6.752 -1.708 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.396 7.886 -1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.440 8.365 -2.122 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.740 9.031 -3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.552 10.500 -1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.259 10.686 -1.501 1.00 0.00 H new ATOM 1176 N LYS A 80 -3.967 6.653 1.956 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.267 5.656 2.756 1.00 0.00 C ATOM 1178 C LYS A 80 -3.891 4.286 2.532 1.00 0.00 C ATOM 1179 O LYS A 80 -5.084 4.093 2.762 1.00 0.00 O ATOM 1180 CB LYS A 80 -3.318 6.021 4.240 1.00 0.00 C ATOM 1181 CG LYS A 80 -4.660 6.577 4.688 1.00 0.00 C ATOM 1182 CD LYS A 80 -4.626 8.092 4.800 1.00 0.00 C ATOM 1183 CE LYS A 80 -5.847 8.726 4.152 1.00 0.00 C ATOM 1184 NZ LYS A 80 -7.011 8.765 5.080 1.00 0.00 N ATOM 0 H LYS A 80 -4.794 7.048 2.404 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.222 5.630 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.087 5.135 4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.542 6.756 4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.433 6.281 3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.930 6.146 5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.580 8.379 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.722 8.473 4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.603 9.739 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.115 8.165 3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.823 9.204 4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.260 7.796 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.764 9.322 5.923 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.085 3.340 2.069 1.00 0.00 N ATOM 1199 CA LEU A 81 -3.572 1.997 1.800 1.00 0.00 C ATOM 1200 C LEU A 81 -3.246 1.057 2.960 1.00 0.00 C ATOM 1201 O LEU A 81 -2.228 0.368 2.955 1.00 0.00 O ATOM 1202 CB LEU A 81 -2.988 1.493 0.470 1.00 0.00 C ATOM 1203 CG LEU A 81 -2.726 -0.011 0.365 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.888 -0.807 0.942 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -2.483 -0.404 -1.084 1.00 0.00 C ATOM 0 H LEU A 81 -2.094 3.479 1.873 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.658 2.019 1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.670 1.777 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.049 2.016 0.290 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.834 -0.243 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.677 -1.873 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.021 -0.547 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.799 -0.571 0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.298 -1.477 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.360 -0.153 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.617 0.136 -1.467 1.00 0.00 H new ATOM 1217 N THR A 82 -4.124 1.049 3.960 1.00 0.00 N ATOM 1218 CA THR A 82 -3.944 0.217 5.145 1.00 0.00 C ATOM 1219 C THR A 82 -4.117 -1.268 4.837 1.00 0.00 C ATOM 1220 O THR A 82 -5.216 -1.813 4.940 1.00 0.00 O ATOM 1221 CB THR A 82 -4.932 0.635 6.235 1.00 0.00 C ATOM 1222 OG1 THR A 82 -5.470 1.916 5.959 1.00 0.00 O ATOM 1223 CG2 THR A 82 -4.314 0.684 7.616 1.00 0.00 C ATOM 0 H THR A 82 -4.973 1.614 3.972 1.00 0.00 H new ATOM 0 HA THR A 82 -2.922 0.367 5.494 1.00 0.00 H new ATOM 0 HB THR A 82 -5.709 -0.129 6.230 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.196 1.832 5.306 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.069 0.987 8.342 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.933 -0.303 7.879 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.495 1.403 7.623 1.00 0.00 H new ATOM 1231 N ILE A 83 -3.016 -1.919 4.477 1.00 0.00 N ATOM 1232 CA ILE A 83 -3.024 -3.343 4.174 1.00 0.00 C ATOM 1233 C ILE A 83 -2.729 -4.167 5.429 1.00 0.00 C ATOM 1234 O ILE A 83 -1.768 -3.894 6.158 1.00 0.00 O ATOM 1235 CB ILE A 83 -1.988 -3.684 3.085 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -1.887 -5.198 2.891 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -0.630 -3.101 3.445 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -1.024 -5.595 1.715 1.00 0.00 C ATOM 0 H ILE A 83 -2.101 -1.478 4.388 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.019 -3.593 3.806 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.318 -3.241 2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.482 -5.647 3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.888 -5.607 2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.091 -3.350 2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.711 -2.017 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.296 -3.517 4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.996 -6.682 1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.441 -5.175 0.800 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.013 -5.215 1.861 1.00 0.00 H new ATOM 1250 N THR A 84 -3.564 -5.173 5.677 1.00 0.00 N ATOM 1251 CA THR A 84 -3.403 -6.037 6.842 1.00 0.00 C ATOM 1252 C THR A 84 -2.611 -7.292 6.488 1.00 0.00 C ATOM 1253 O THR A 84 -3.027 -8.083 5.643 1.00 0.00 O ATOM 1254 CB THR A 84 -4.769 -6.425 7.407 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.791 -5.619 6.848 1.00 0.00 O ATOM 1256 CG2 THR A 84 -4.853 -6.294 8.913 1.00 0.00 C ATOM 0 H THR A 84 -4.360 -5.410 5.085 1.00 0.00 H new ATOM 0 HA THR A 84 -2.848 -5.482 7.598 1.00 0.00 H new ATOM 0 HB THR A 84 -4.904 -7.474 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.583 -5.648 7.425 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.848 -6.585 9.249 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.110 -6.943 9.377 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.661 -5.260 9.200 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.468 -7.465 7.143 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.609 -8.621 6.903 1.00 0.00 C ATOM 1266 C VAL A 85 -0.729 -9.639 8.033 1.00 0.00 C ATOM 1267 O VAL A 85 -0.213 -9.425 9.130 1.00 0.00 O ATOM 1268 CB VAL A 85 0.874 -8.211 6.757 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.409 -8.615 5.393 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.052 -6.716 6.983 1.00 0.00 C ATOM 0 H VAL A 85 -1.113 -6.817 7.847 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.946 -9.070 5.969 1.00 0.00 H new ATOM 0 HB VAL A 85 1.447 -8.737 7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.454 -8.318 5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.329 -9.696 5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.828 -8.122 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.105 -6.454 6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.464 -6.165 6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.716 -6.457 7.987 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.409 -10.749 7.757 1.00 0.00 N ATOM 1281 CA LEU A 86 -1.590 -11.799 8.754 1.00 0.00 C ATOM 1282 C LEU A 86 -1.076 -13.140 8.235 1.00 0.00 C ATOM 1283 O LEU A 86 -1.832 -13.932 7.679 1.00 0.00 O ATOM 1284 CB LEU A 86 -3.067 -11.919 9.137 1.00 0.00 C ATOM 1285 CG LEU A 86 -4.054 -11.546 8.031 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -5.252 -12.484 8.045 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -4.506 -10.102 8.185 1.00 0.00 C ATOM 0 H LEU A 86 -1.842 -10.944 6.854 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.013 -11.528 9.638 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.264 -12.945 9.448 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.256 -11.282 10.001 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.549 -11.648 7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.944 -12.203 7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.914 -13.508 7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.758 -12.414 9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.208 -9.854 7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.993 -9.974 9.152 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.641 -9.442 8.125 1.00 0.00 H new