USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 567 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 23 MET CE :methyl -150:sc= -2.35! (180deg=-5.02!) USER MOD Set 1.2: B 23 MET CE :methyl -160:sc= -2.43! (180deg=-4.38!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.04 K(o=-1,f=-3.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 75:sc= 0.703 USER MOD Single : A 36 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN : amide:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 75:sc= 0.762 USER MOD Single : B 36 THR OG1 : rot 84:sc= 1.23 USER MOD Single : B 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 16.566 -24.685 7.571 1.00 41.23 N ATOM 9 CA SER A 2 17.141 -23.347 7.494 1.00 62.12 C ATOM 10 C SER A 2 16.303 -22.447 6.593 1.00 34.23 C ATOM 11 O SER A 2 15.951 -21.329 6.970 1.00 74.10 O ATOM 12 CB SER A 2 18.577 -23.416 6.971 1.00 34.41 C ATOM 13 OG SER A 2 18.964 -22.188 6.379 1.00 64.14 O ATOM 0 HA SER A 2 17.147 -22.922 8.498 1.00 62.12 H new ATOM 0 HB2 SER A 2 19.254 -23.658 7.790 1.00 34.41 H new ATOM 0 HB3 SER A 2 18.663 -24.219 6.239 1.00 34.41 H new ATOM 0 HG SER A 2 19.886 -22.258 6.054 1.00 64.14 H new ATOM 19 N GLN A 3 15.986 -22.942 5.401 1.00 64.11 N ATOM 20 CA GLN A 3 15.188 -22.182 4.445 1.00 25.35 C ATOM 21 C GLN A 3 13.782 -21.936 4.984 1.00 30.11 C ATOM 22 O GLN A 3 13.125 -20.963 4.611 1.00 63.41 O ATOM 23 CB GLN A 3 15.113 -22.923 3.108 1.00 12.24 C ATOM 24 CG GLN A 3 14.216 -24.149 3.142 1.00 43.55 C ATOM 25 CD GLN A 3 14.552 -25.147 2.052 1.00 25.24 C ATOM 26 OE1 GLN A 3 13.767 -25.363 1.128 1.00 75.43 O ATOM 27 NE2 GLN A 3 15.724 -25.763 2.152 1.00 11.53 N ATOM 0 H GLN A 3 16.269 -23.866 5.074 1.00 64.11 H new ATOM 0 HA GLN A 3 15.672 -21.218 4.291 1.00 25.35 H new ATOM 0 HB2 GLN A 3 14.749 -22.238 2.342 1.00 12.24 H new ATOM 0 HB3 GLN A 3 16.118 -23.226 2.813 1.00 12.24 H new ATOM 0 HG2 GLN A 3 14.306 -24.634 4.114 1.00 43.55 H new ATOM 0 HG3 GLN A 3 13.177 -23.837 3.037 1.00 43.55 H new ATOM 0 HE21 GLN A 3 16.345 -25.554 2.934 1.00 11.53 H new ATOM 0 HE22 GLN A 3 16.004 -26.445 1.447 1.00 11.53 H new ATOM 36 N LYS A 4 13.327 -22.824 5.861 1.00 34.01 N ATOM 37 CA LYS A 4 11.999 -22.703 6.451 1.00 71.41 C ATOM 38 C LYS A 4 11.843 -21.367 7.170 1.00 4.12 C ATOM 39 O LYS A 4 10.775 -20.752 7.136 1.00 62.12 O ATOM 40 CB LYS A 4 11.747 -23.852 7.430 1.00 53.43 C ATOM 41 CG LYS A 4 10.276 -24.173 7.626 1.00 71.34 C ATOM 42 CD LYS A 4 10.078 -25.287 8.640 1.00 70.40 C ATOM 43 CE LYS A 4 10.093 -26.655 7.976 1.00 3.43 C ATOM 44 NZ LYS A 4 9.485 -27.700 8.845 1.00 50.43 N1+ ATOM 0 H LYS A 4 13.858 -23.635 6.179 1.00 34.01 H new ATOM 0 HA LYS A 4 11.266 -22.751 5.646 1.00 71.41 H new ATOM 0 HB2 LYS A 4 12.260 -24.744 7.070 1.00 53.43 H new ATOM 0 HB3 LYS A 4 12.187 -23.599 8.395 1.00 53.43 H new ATOM 0 HG2 LYS A 4 9.749 -23.279 7.959 1.00 71.34 H new ATOM 0 HG3 LYS A 4 9.836 -24.466 6.672 1.00 71.34 H new ATOM 0 HD2 LYS A 4 10.864 -25.239 9.393 1.00 70.40 H new ATOM 0 HD3 LYS A 4 9.130 -25.144 9.159 1.00 70.40 H new ATOM 0 HE2 LYS A 4 9.550 -26.607 7.032 1.00 3.43 H new ATOM 0 HE3 LYS A 4 11.120 -26.932 7.739 1.00 3.43 H new ATOM 0 HZ1 LYS A 4 9.514 -28.618 8.357 1.00 50.43 H new ATOM 0 HZ2 LYS A 4 10.018 -27.764 9.736 1.00 50.43 H new ATOM 0 HZ3 LYS A 4 8.497 -27.449 9.051 1.00 50.43 H new ATOM 58 N LEU A 5 12.912 -20.921 7.820 1.00 55.13 N ATOM 59 CA LEU A 5 12.894 -19.656 8.547 1.00 10.52 C ATOM 60 C LEU A 5 12.692 -18.483 7.593 1.00 65.40 C ATOM 61 O LEU A 5 11.814 -17.645 7.799 1.00 20.14 O ATOM 62 CB LEU A 5 14.197 -19.475 9.328 1.00 12.44 C ATOM 63 CG LEU A 5 14.342 -18.162 10.096 1.00 23.50 C ATOM 64 CD1 LEU A 5 14.477 -18.428 11.588 1.00 23.30 C ATOM 65 CD2 LEU A 5 15.537 -17.371 9.584 1.00 0.21 C ATOM 0 H LEU A 5 13.803 -21.417 7.859 1.00 55.13 H new ATOM 0 HA LEU A 5 12.059 -19.679 9.247 1.00 10.52 H new ATOM 0 HB2 LEU A 5 14.290 -20.299 10.036 1.00 12.44 H new ATOM 0 HB3 LEU A 5 15.030 -19.558 8.630 1.00 12.44 H new ATOM 0 HG LEU A 5 13.443 -17.568 9.933 1.00 23.50 H new ATOM 0 HD11 LEU A 5 14.579 -17.481 12.119 1.00 23.30 H new ATOM 0 HD12 LEU A 5 13.590 -18.951 11.946 1.00 23.30 H new ATOM 0 HD13 LEU A 5 15.359 -19.043 11.770 1.00 23.30 H new ATOM 0 HD21 LEU A 5 15.623 -16.439 10.143 1.00 0.21 H new ATOM 0 HD22 LEU A 5 16.446 -17.959 9.715 1.00 0.21 H new ATOM 0 HD23 LEU A 5 15.399 -17.148 8.526 1.00 0.21 H new ATOM 77 N VAL A 6 13.509 -18.431 6.546 1.00 34.42 N ATOM 78 CA VAL A 6 13.419 -17.362 5.558 1.00 12.01 C ATOM 79 C VAL A 6 12.035 -17.320 4.920 1.00 52.44 C ATOM 80 O VAL A 6 11.520 -16.249 4.597 1.00 23.24 O ATOM 81 CB VAL A 6 14.477 -17.530 4.451 1.00 34.54 C ATOM 82 CG1 VAL A 6 14.447 -16.345 3.499 1.00 2.52 C ATOM 83 CG2 VAL A 6 15.861 -17.702 5.059 1.00 33.41 C ATOM 0 H VAL A 6 14.241 -19.117 6.360 1.00 34.42 H new ATOM 0 HA VAL A 6 13.602 -16.426 6.086 1.00 12.01 H new ATOM 0 HB VAL A 6 14.242 -18.429 3.881 1.00 34.54 H new ATOM 0 HG11 VAL A 6 15.201 -16.482 2.724 1.00 2.52 H new ATOM 0 HG12 VAL A 6 13.462 -16.273 3.038 1.00 2.52 H new ATOM 0 HG13 VAL A 6 14.656 -15.429 4.051 1.00 2.52 H new ATOM 0 HG21 VAL A 6 16.596 -17.819 4.263 1.00 33.41 H new ATOM 0 HG22 VAL A 6 16.108 -16.823 5.655 1.00 33.41 H new ATOM 0 HG23 VAL A 6 15.871 -18.587 5.696 1.00 33.41 H new ATOM 93 N PHE A 7 11.435 -18.493 4.742 1.00 61.44 N ATOM 94 CA PHE A 7 10.110 -18.590 4.142 1.00 32.21 C ATOM 95 C PHE A 7 9.049 -18.003 5.068 1.00 61.02 C ATOM 96 O PHE A 7 8.032 -17.481 4.613 1.00 45.44 O ATOM 97 CB PHE A 7 9.775 -20.050 3.827 1.00 73.41 C ATOM 98 CG PHE A 7 8.913 -20.218 2.607 1.00 71.22 C ATOM 99 CD1 PHE A 7 9.333 -19.741 1.377 1.00 62.31 C ATOM 100 CD2 PHE A 7 7.685 -20.852 2.694 1.00 4.31 C ATOM 101 CE1 PHE A 7 8.542 -19.894 0.253 1.00 73.50 C ATOM 102 CE2 PHE A 7 6.891 -21.008 1.574 1.00 31.22 C ATOM 103 CZ PHE A 7 7.319 -20.528 0.352 1.00 75.42 C ATOM 0 H PHE A 7 11.846 -19.389 5.005 1.00 61.44 H new ATOM 0 HA PHE A 7 10.116 -18.017 3.215 1.00 32.21 H new ATOM 0 HB2 PHE A 7 10.702 -20.605 3.686 1.00 73.41 H new ATOM 0 HB3 PHE A 7 9.267 -20.491 4.685 1.00 73.41 H new ATOM 0 HD1 PHE A 7 10.288 -19.244 1.294 1.00 62.31 H new ATOM 0 HD2 PHE A 7 7.344 -21.228 3.647 1.00 4.31 H new ATOM 0 HE1 PHE A 7 8.880 -19.518 -0.701 1.00 73.50 H new ATOM 0 HE2 PHE A 7 5.936 -21.505 1.654 1.00 31.22 H new ATOM 0 HZ PHE A 7 6.699 -20.648 -0.524 1.00 75.42 H new ATOM 113 N PHE A 8 9.295 -18.092 6.371 1.00 13.13 N ATOM 114 CA PHE A 8 8.361 -17.571 7.363 1.00 30.33 C ATOM 115 C PHE A 8 8.406 -16.046 7.404 1.00 54.30 C ATOM 116 O PHE A 8 7.386 -15.390 7.618 1.00 44.05 O ATOM 117 CB PHE A 8 8.684 -18.139 8.746 1.00 30.20 C ATOM 118 CG PHE A 8 7.498 -18.751 9.435 1.00 54.04 C ATOM 119 CD1 PHE A 8 7.138 -20.066 9.186 1.00 52.31 C ATOM 120 CD2 PHE A 8 6.742 -18.011 10.330 1.00 24.35 C ATOM 121 CE1 PHE A 8 6.047 -20.632 9.819 1.00 55.13 C ATOM 122 CE2 PHE A 8 5.651 -18.572 10.966 1.00 75.13 C ATOM 123 CZ PHE A 8 5.302 -19.884 10.709 1.00 21.42 C ATOM 0 H PHE A 8 10.133 -18.520 6.765 1.00 13.13 H new ATOM 0 HA PHE A 8 7.356 -17.880 7.077 1.00 30.33 H new ATOM 0 HB2 PHE A 8 9.465 -18.893 8.647 1.00 30.20 H new ATOM 0 HB3 PHE A 8 9.087 -17.343 9.372 1.00 30.20 H new ATOM 0 HD1 PHE A 8 7.716 -20.655 8.490 1.00 52.31 H new ATOM 0 HD2 PHE A 8 7.008 -16.984 10.533 1.00 24.35 H new ATOM 0 HE1 PHE A 8 5.778 -21.658 9.618 1.00 55.13 H new ATOM 0 HE2 PHE A 8 5.072 -17.985 11.663 1.00 75.13 H new ATOM 0 HZ PHE A 8 4.448 -20.324 11.203 1.00 21.42 H new ATOM 133 N ALA A 9 9.595 -15.489 7.196 1.00 21.40 N ATOM 134 CA ALA A 9 9.772 -14.043 7.208 1.00 62.33 C ATOM 135 C ALA A 9 8.949 -13.380 6.108 1.00 0.01 C ATOM 136 O ALA A 9 8.240 -12.403 6.355 1.00 3.14 O ATOM 137 CB ALA A 9 11.244 -13.691 7.051 1.00 22.01 C ATOM 0 H ALA A 9 10.449 -16.017 7.017 1.00 21.40 H new ATOM 0 HA ALA A 9 9.419 -13.666 8.168 1.00 62.33 H new ATOM 0 HB1 ALA A 9 11.362 -12.607 7.062 1.00 22.01 H new ATOM 0 HB2 ALA A 9 11.812 -14.126 7.873 1.00 22.01 H new ATOM 0 HB3 ALA A 9 11.614 -14.087 6.105 1.00 22.01 H new ATOM 143 N GLU A 10 9.047 -13.916 4.896 1.00 15.33 N ATOM 144 CA GLU A 10 8.311 -13.374 3.759 1.00 73.03 C ATOM 145 C GLU A 10 6.805 -13.458 3.996 1.00 31.35 C ATOM 146 O GLU A 10 6.049 -12.589 3.562 1.00 53.40 O ATOM 147 CB GLU A 10 8.681 -14.125 2.479 1.00 4.11 C ATOM 148 CG GLU A 10 8.672 -13.251 1.236 1.00 14.13 C ATOM 149 CD GLU A 10 10.051 -12.737 0.874 1.00 72.25 C ATOM 150 OE1 GLU A 10 11.006 -13.542 0.887 1.00 34.34 O ATOM 151 OE2 GLU A 10 10.177 -11.530 0.579 1.00 53.30 O1- ATOM 0 H GLU A 10 9.628 -14.725 4.676 1.00 15.33 H new ATOM 0 HA GLU A 10 8.585 -12.325 3.647 1.00 73.03 H new ATOM 0 HB2 GLU A 10 9.672 -14.562 2.598 1.00 4.11 H new ATOM 0 HB3 GLU A 10 7.983 -14.950 2.338 1.00 4.11 H new ATOM 0 HG2 GLU A 10 8.270 -13.821 0.399 1.00 14.13 H new ATOM 0 HG3 GLU A 10 8.004 -12.405 1.396 1.00 14.13 H new ATOM 158 N ASP A 11 6.380 -14.511 4.685 1.00 31.13 N ATOM 159 CA ASP A 11 4.966 -14.709 4.980 1.00 4.32 C ATOM 160 C ASP A 11 4.368 -13.470 5.639 1.00 44.41 C ATOM 161 O ASP A 11 3.374 -12.920 5.165 1.00 63.24 O ATOM 162 CB ASP A 11 4.778 -15.926 5.888 1.00 22.41 C ATOM 163 CG ASP A 11 3.380 -16.507 5.796 1.00 42.04 C ATOM 164 OD1 ASP A 11 2.453 -15.765 5.410 1.00 31.23 O1- ATOM 165 OD2 ASP A 11 3.214 -17.704 6.110 1.00 35.13 O ATOM 0 H ASP A 11 6.994 -15.240 5.049 1.00 31.13 H new ATOM 0 HA ASP A 11 4.446 -14.884 4.038 1.00 4.32 H new ATOM 0 HB2 ASP A 11 5.505 -16.692 5.619 1.00 22.41 H new ATOM 0 HB3 ASP A 11 4.983 -15.641 6.920 1.00 22.41 H new ATOM 170 N VAL A 12 4.980 -13.036 6.736 1.00 72.41 N ATOM 171 CA VAL A 12 4.509 -11.861 7.460 1.00 13.34 C ATOM 172 C VAL A 12 4.885 -10.578 6.729 1.00 74.41 C ATOM 173 O VAL A 12 4.017 -9.810 6.316 1.00 11.12 O ATOM 174 CB VAL A 12 5.087 -11.814 8.888 1.00 54.10 C ATOM 175 CG1 VAL A 12 4.491 -10.651 9.666 1.00 70.11 C ATOM 176 CG2 VAL A 12 4.836 -13.131 9.607 1.00 40.34 C ATOM 0 H VAL A 12 5.803 -13.480 7.143 1.00 72.41 H new ATOM 0 HA VAL A 12 3.423 -11.938 7.517 1.00 13.34 H new ATOM 0 HB VAL A 12 6.164 -11.662 8.821 1.00 54.10 H new ATOM 0 HG11 VAL A 12 4.910 -10.633 10.672 1.00 70.11 H new ATOM 0 HG12 VAL A 12 4.726 -9.715 9.158 1.00 70.11 H new ATOM 0 HG13 VAL A 12 3.409 -10.770 9.726 1.00 70.11 H new ATOM 0 HG21 VAL A 12 5.251 -13.081 10.614 1.00 40.34 H new ATOM 0 HG22 VAL A 12 3.763 -13.315 9.665 1.00 40.34 H new ATOM 0 HG23 VAL A 12 5.314 -13.942 9.058 1.00 40.34 H new ATOM 186 N GLY A 13 6.185 -10.351 6.572 1.00 32.11 N ATOM 187 CA GLY A 13 6.653 -9.158 5.891 1.00 10.34 C ATOM 188 C GLY A 13 6.850 -7.990 6.836 1.00 31.51 C ATOM 189 O GLY A 13 6.852 -6.834 6.412 1.00 53.01 O ATOM 0 H GLY A 13 6.923 -10.972 6.904 1.00 32.11 H new ATOM 0 HA2 GLY A 13 7.595 -9.377 5.388 1.00 10.34 H new ATOM 0 HA3 GLY A 13 5.936 -8.879 5.119 1.00 10.34 H new ATOM 193 N SER A 14 7.015 -8.290 8.119 1.00 64.01 N ATOM 194 CA SER A 14 7.207 -7.255 9.129 1.00 72.24 C ATOM 195 C SER A 14 8.691 -7.041 9.411 1.00 14.33 C ATOM 196 O SER A 14 9.203 -5.929 9.291 1.00 12.44 O ATOM 197 CB SER A 14 6.479 -7.630 10.421 1.00 33.22 C ATOM 198 OG SER A 14 5.934 -6.484 11.050 1.00 4.23 O ATOM 0 H SER A 14 7.020 -9.242 8.485 1.00 64.01 H new ATOM 0 HA SER A 14 6.790 -6.325 8.744 1.00 72.24 H new ATOM 0 HB2 SER A 14 5.683 -8.341 10.200 1.00 33.22 H new ATOM 0 HB3 SER A 14 7.171 -8.127 11.101 1.00 33.22 H new ATOM 0 HG SER A 14 5.473 -6.751 11.872 1.00 4.23 H new ATOM 204 N ASN A 15 9.376 -8.116 9.787 1.00 13.04 N ATOM 205 CA ASN A 15 10.802 -8.048 10.088 1.00 44.44 C ATOM 206 C ASN A 15 11.568 -7.393 8.942 1.00 23.11 C ATOM 207 O ASN A 15 11.684 -7.958 7.855 1.00 15.45 O ATOM 208 CB ASN A 15 11.356 -9.448 10.353 1.00 40.44 C ATOM 209 CG ASN A 15 10.793 -10.483 9.397 1.00 52.54 C ATOM 210 OD1 ASN A 15 11.229 -10.587 8.250 1.00 71.43 O ATOM 211 ND2 ASN A 15 9.820 -11.254 9.867 1.00 61.13 N ATOM 0 H ASN A 15 8.967 -9.045 9.891 1.00 13.04 H new ATOM 0 HA ASN A 15 10.931 -7.439 10.983 1.00 44.44 H new ATOM 0 HB2 ASN A 15 12.442 -9.429 10.265 1.00 40.44 H new ATOM 0 HB3 ASN A 15 11.124 -9.740 11.377 1.00 40.44 H new ATOM 0 HD21 ASN A 15 9.402 -11.968 9.271 1.00 61.13 H new ATOM 0 HD22 ASN A 15 9.490 -11.132 10.825 1.00 61.13 H new ATOM 218 N LYS A 16 12.091 -6.197 9.195 1.00 61.12 N ATOM 219 CA LYS A 16 12.849 -5.465 8.187 1.00 50.41 C ATOM 220 C LYS A 16 14.256 -6.036 8.044 1.00 20.34 C ATOM 221 O LYS A 16 14.804 -6.092 6.944 1.00 44.32 O ATOM 222 CB LYS A 16 12.922 -3.981 8.554 1.00 21.41 C ATOM 223 CG LYS A 16 13.530 -3.723 9.922 1.00 24.12 C ATOM 224 CD LYS A 16 14.953 -3.205 9.812 1.00 0.21 C ATOM 225 CE LYS A 16 15.004 -1.687 9.912 1.00 50.40 C ATOM 226 NZ LYS A 16 16.390 -1.193 10.140 1.00 35.21 N1+ ATOM 0 H LYS A 16 12.004 -5.715 10.089 1.00 61.12 H new ATOM 0 HA LYS A 16 12.335 -5.571 7.232 1.00 50.41 H new ATOM 0 HB2 LYS A 16 13.509 -3.457 7.800 1.00 21.41 H new ATOM 0 HB3 LYS A 16 11.918 -3.558 8.526 1.00 21.41 H new ATOM 0 HG2 LYS A 16 12.919 -2.999 10.462 1.00 24.12 H new ATOM 0 HG3 LYS A 16 13.521 -4.644 10.504 1.00 24.12 H new ATOM 0 HD2 LYS A 16 15.563 -3.643 10.602 1.00 0.21 H new ATOM 0 HD3 LYS A 16 15.385 -3.523 8.863 1.00 0.21 H new ATOM 0 HE2 LYS A 16 14.608 -1.249 8.996 1.00 50.40 H new ATOM 0 HE3 LYS A 16 14.361 -1.355 10.727 1.00 50.40 H new ATOM 0 HZ1 LYS A 16 16.383 -0.155 10.202 1.00 35.21 H new ATOM 0 HZ2 LYS A 16 16.759 -1.591 11.027 1.00 35.21 H new ATOM 0 HZ3 LYS A 16 16.998 -1.488 9.350 1.00 35.21 H new ATOM 240 N GLY A 17 14.836 -6.458 9.164 1.00 3.15 N ATOM 241 CA GLY A 17 16.173 -7.019 9.141 1.00 12.24 C ATOM 242 C GLY A 17 16.309 -8.156 8.146 1.00 32.33 C ATOM 243 O GLY A 17 17.356 -8.321 7.522 1.00 73.32 O ATOM 0 H GLY A 17 14.403 -6.421 10.087 1.00 3.15 H new ATOM 0 HA2 GLY A 17 16.888 -6.235 8.892 1.00 12.24 H new ATOM 0 HA3 GLY A 17 16.429 -7.380 10.137 1.00 12.24 H new ATOM 257 N ILE A 19 14.343 -8.697 5.292 1.00 42.43 N ATOM 258 CA ILE A 19 14.254 -8.159 3.941 1.00 61.23 C ATOM 259 C ILE A 19 15.568 -7.512 3.518 1.00 4.34 C ATOM 260 O ILE A 19 16.174 -7.907 2.521 1.00 31.10 O ATOM 261 CB ILE A 19 13.123 -7.121 3.820 1.00 5.04 C ATOM 262 CG1 ILE A 19 11.787 -7.740 4.238 1.00 33.14 C ATOM 263 CG2 ILE A 19 13.042 -6.586 2.398 1.00 12.50 C ATOM 264 CD1 ILE A 19 10.634 -6.761 4.214 1.00 34.32 C ATOM 0 HA ILE A 19 14.037 -9.000 3.282 1.00 61.23 H new ATOM 0 HB ILE A 19 13.343 -6.288 4.488 1.00 5.04 H new ATOM 0 HG12 ILE A 19 11.559 -8.574 3.574 1.00 33.14 H new ATOM 0 HG13 ILE A 19 11.884 -8.150 5.243 1.00 33.14 H new ATOM 0 HG21 ILE A 19 12.238 -5.854 2.330 1.00 12.50 H new ATOM 0 HG22 ILE A 19 13.987 -6.112 2.133 1.00 12.50 H new ATOM 0 HG23 ILE A 19 12.843 -7.408 1.711 1.00 12.50 H new ATOM 0 HD11 ILE A 19 9.720 -7.268 4.521 1.00 34.32 H new ATOM 0 HD12 ILE A 19 10.841 -5.939 4.899 1.00 34.32 H new ATOM 0 HD13 ILE A 19 10.510 -6.370 3.204 1.00 34.32 H new ATOM 276 N ILE A 20 16.006 -6.519 4.284 1.00 30.40 N ATOM 277 CA ILE A 20 17.251 -5.820 3.991 1.00 44.42 C ATOM 278 C ILE A 20 18.405 -6.801 3.819 1.00 63.42 C ATOM 279 O ILE A 20 19.131 -6.754 2.827 1.00 73.05 O ATOM 280 CB ILE A 20 17.607 -4.814 5.102 1.00 2.11 C ATOM 281 CG1 ILE A 20 16.497 -3.771 5.251 1.00 52.20 C ATOM 282 CG2 ILE A 20 18.937 -4.141 4.799 1.00 31.43 C ATOM 283 CD1 ILE A 20 16.311 -2.908 4.024 1.00 64.21 C ATOM 0 H ILE A 20 15.517 -6.180 5.113 1.00 30.40 H new ATOM 0 HA ILE A 20 17.097 -5.278 3.058 1.00 44.42 H new ATOM 0 HB ILE A 20 17.701 -5.353 6.045 1.00 2.11 H new ATOM 0 HG12 ILE A 20 15.559 -4.280 5.473 1.00 52.20 H new ATOM 0 HG13 ILE A 20 16.723 -3.131 6.104 1.00 52.20 H new ATOM 0 HG21 ILE A 20 19.176 -3.433 5.593 1.00 31.43 H new ATOM 0 HG22 ILE A 20 19.721 -4.896 4.738 1.00 31.43 H new ATOM 0 HG23 ILE A 20 18.869 -3.612 3.849 1.00 31.43 H new ATOM 0 HD11 ILE A 20 15.508 -2.192 4.201 1.00 64.21 H new ATOM 0 HD12 ILE A 20 17.236 -2.371 3.813 1.00 64.21 H new ATOM 0 HD13 ILE A 20 16.054 -3.537 3.172 1.00 64.21 H new ATOM 295 N GLY A 21 18.567 -7.692 4.793 1.00 22.54 N ATOM 296 CA GLY A 21 19.634 -8.674 4.730 1.00 44.04 C ATOM 297 C GLY A 21 19.539 -9.554 3.499 1.00 53.33 C ATOM 298 O GLY A 21 20.546 -10.087 3.028 1.00 64.43 O ATOM 0 H GLY A 21 17.979 -7.751 5.624 1.00 22.54 H new ATOM 0 HA2 GLY A 21 20.596 -8.162 4.733 1.00 44.04 H new ATOM 0 HA3 GLY A 21 19.602 -9.298 5.623 1.00 44.04 H new ATOM 302 N LEU A 22 18.328 -9.711 2.977 1.00 15.25 N ATOM 303 CA LEU A 22 18.105 -10.535 1.794 1.00 52.43 C ATOM 304 C LEU A 22 18.619 -9.837 0.539 1.00 55.44 C ATOM 305 O LEU A 22 19.348 -10.429 -0.256 1.00 50.40 O ATOM 306 CB LEU A 22 16.616 -10.851 1.641 1.00 21.11 C ATOM 307 CG LEU A 22 16.208 -12.303 1.892 1.00 70.30 C ATOM 308 CD1 LEU A 22 14.714 -12.484 1.673 1.00 35.13 C ATOM 309 CD2 LEU A 22 16.999 -13.242 0.992 1.00 11.34 C ATOM 0 H LEU A 22 17.485 -9.278 3.354 1.00 15.25 H new ATOM 0 HA LEU A 22 18.657 -11.466 1.922 1.00 52.43 H new ATOM 0 HB2 LEU A 22 16.058 -10.214 2.327 1.00 21.11 H new ATOM 0 HB3 LEU A 22 16.309 -10.578 0.631 1.00 21.11 H new ATOM 0 HG LEU A 22 16.434 -12.550 2.929 1.00 70.30 H new ATOM 0 HD11 LEU A 22 14.443 -13.524 1.856 1.00 35.13 H new ATOM 0 HD12 LEU A 22 14.165 -11.839 2.359 1.00 35.13 H new ATOM 0 HD13 LEU A 22 14.462 -12.219 0.646 1.00 35.13 H new ATOM 0 HD21 LEU A 22 16.696 -14.271 1.184 1.00 11.34 H new ATOM 0 HD22 LEU A 22 16.805 -12.995 -0.052 1.00 11.34 H new ATOM 0 HD23 LEU A 22 18.064 -13.133 1.198 1.00 11.34 H new ATOM 321 N MET A 23 18.237 -8.575 0.372 1.00 71.42 N ATOM 322 CA MET A 23 18.662 -7.796 -0.785 1.00 34.30 C ATOM 323 C MET A 23 20.138 -7.422 -0.675 1.00 73.54 C ATOM 324 O MET A 23 20.920 -7.667 -1.594 1.00 1.21 O ATOM 325 CB MET A 23 17.812 -6.531 -0.916 1.00 74.21 C ATOM 326 CG MET A 23 16.350 -6.743 -0.559 1.00 4.22 C ATOM 327 SD MET A 23 15.290 -5.410 -1.152 1.00 2.32 S ATOM 328 CE MET A 23 14.431 -6.230 -2.491 1.00 22.53 C ATOM 0 H MET A 23 17.635 -8.071 1.022 1.00 71.42 H new ATOM 0 HA MET A 23 18.525 -8.410 -1.675 1.00 34.30 H new ATOM 0 HB2 MET A 23 18.226 -5.756 -0.271 1.00 74.21 H new ATOM 0 HB3 MET A 23 17.878 -6.163 -1.940 1.00 74.21 H new ATOM 0 HG2 MET A 23 16.010 -7.688 -0.982 1.00 4.22 H new ATOM 0 HG3 MET A 23 16.253 -6.825 0.524 1.00 4.22 H new ATOM 0 HE1 MET A 23 14.174 -5.501 -3.259 1.00 22.53 H new ATOM 0 HE2 MET A 23 15.075 -6.998 -2.920 1.00 22.53 H new ATOM 0 HE3 MET A 23 13.520 -6.692 -2.110 1.00 22.53 H new ATOM 338 N VAL A 24 20.511 -6.827 0.454 1.00 51.45 N ATOM 339 CA VAL A 24 21.891 -6.420 0.683 1.00 14.03 C ATOM 340 C VAL A 24 22.829 -7.623 0.668 1.00 22.43 C ATOM 341 O VAL A 24 23.873 -7.602 0.017 1.00 71.34 O ATOM 342 CB VAL A 24 22.043 -5.683 2.027 1.00 53.33 C ATOM 343 CG1 VAL A 24 23.490 -5.272 2.250 1.00 61.54 C ATOM 344 CG2 VAL A 24 21.123 -4.472 2.076 1.00 2.15 C ATOM 0 H VAL A 24 19.876 -6.616 1.224 1.00 51.45 H new ATOM 0 HA VAL A 24 22.160 -5.743 -0.128 1.00 14.03 H new ATOM 0 HB VAL A 24 21.756 -6.363 2.829 1.00 53.33 H new ATOM 0 HG11 VAL A 24 23.578 -4.753 3.204 1.00 61.54 H new ATOM 0 HG12 VAL A 24 24.123 -6.159 2.260 1.00 61.54 H new ATOM 0 HG13 VAL A 24 23.808 -4.609 1.446 1.00 61.54 H new ATOM 0 HG21 VAL A 24 21.243 -3.963 3.032 1.00 2.15 H new ATOM 0 HG22 VAL A 24 21.378 -3.788 1.266 1.00 2.15 H new ATOM 0 HG23 VAL A 24 20.088 -4.796 1.965 1.00 2.15 H new ATOM 354 N GLY A 25 22.447 -8.673 1.391 1.00 44.21 N ATOM 355 CA GLY A 25 23.265 -9.870 1.447 1.00 65.53 C ATOM 356 C GLY A 25 23.393 -10.548 0.096 1.00 70.22 C ATOM 357 O GLY A 25 24.491 -10.915 -0.321 1.00 53.54 O ATOM 0 H GLY A 25 21.587 -8.715 1.938 1.00 44.21 H new ATOM 0 HA2 GLY A 25 24.258 -9.611 1.816 1.00 65.53 H new ATOM 0 HA3 GLY A 25 22.832 -10.570 2.162 1.00 65.53 H new ATOM 361 N GLY A 26 22.266 -10.718 -0.588 1.00 54.21 N ATOM 362 CA GLY A 26 22.278 -11.358 -1.891 1.00 74.34 C ATOM 363 C GLY A 26 23.227 -10.681 -2.861 1.00 71.24 C ATOM 364 O GLY A 26 23.941 -11.348 -3.609 1.00 23.22 O ATOM 0 H GLY A 26 21.345 -10.424 -0.263 1.00 54.21 H new ATOM 0 HA2 GLY A 26 22.565 -12.403 -1.776 1.00 74.34 H new ATOM 0 HA3 GLY A 26 21.270 -11.348 -2.307 1.00 74.34 H new ATOM 368 N VAL A 27 23.233 -9.352 -2.850 1.00 63.41 N ATOM 369 CA VAL A 27 24.101 -8.585 -3.735 1.00 52.04 C ATOM 370 C VAL A 27 25.563 -8.721 -3.326 1.00 11.22 C ATOM 371 O VAL A 27 26.423 -9.029 -4.150 1.00 74.34 O ATOM 372 CB VAL A 27 23.718 -7.093 -3.740 1.00 40.03 C ATOM 373 CG1 VAL A 27 24.651 -6.305 -4.648 1.00 65.31 C ATOM 374 CG2 VAL A 27 22.269 -6.916 -4.168 1.00 61.31 C ATOM 0 H VAL A 27 22.647 -8.784 -2.238 1.00 63.41 H new ATOM 0 HA VAL A 27 23.969 -8.991 -4.738 1.00 52.04 H new ATOM 0 HB VAL A 27 23.823 -6.706 -2.727 1.00 40.03 H new ATOM 0 HG11 VAL A 27 24.365 -5.253 -4.639 1.00 65.31 H new ATOM 0 HG12 VAL A 27 25.676 -6.405 -4.292 1.00 65.31 H new ATOM 0 HG13 VAL A 27 24.581 -6.691 -5.665 1.00 65.31 H new ATOM 0 HG21 VAL A 27 22.016 -5.856 -4.166 1.00 61.31 H new ATOM 0 HG22 VAL A 27 22.134 -7.319 -5.172 1.00 61.31 H new ATOM 0 HG23 VAL A 27 21.617 -7.446 -3.474 1.00 61.31 H new ATOM 384 N VAL A 28 25.838 -8.491 -2.046 1.00 74.11 N ATOM 385 CA VAL A 28 27.197 -8.590 -1.526 1.00 14.13 C ATOM 386 C VAL A 28 27.773 -9.982 -1.756 1.00 43.43 C ATOM 387 O VAL A 28 28.820 -10.135 -2.385 1.00 21.32 O ATOM 388 CB VAL A 28 27.246 -8.267 -0.021 1.00 1.13 C ATOM 389 CG1 VAL A 28 28.667 -8.399 0.508 1.00 52.33 C ATOM 390 CG2 VAL A 28 26.698 -6.873 0.244 1.00 14.12 C ATOM 0 H VAL A 28 25.138 -8.235 -1.350 1.00 74.11 H new ATOM 0 HA VAL A 28 27.798 -7.858 -2.067 1.00 14.13 H new ATOM 0 HB VAL A 28 26.619 -8.985 0.507 1.00 1.13 H new ATOM 0 HG11 VAL A 28 28.682 -8.167 1.573 1.00 52.33 H new ATOM 0 HG12 VAL A 28 29.019 -9.419 0.354 1.00 52.33 H new ATOM 0 HG13 VAL A 28 29.319 -7.706 -0.023 1.00 52.33 H new ATOM 0 HG21 VAL A 28 26.741 -6.662 1.313 1.00 14.12 H new ATOM 0 HG22 VAL A 28 27.296 -6.138 -0.295 1.00 14.12 H new ATOM 0 HG23 VAL A 28 25.664 -6.818 -0.096 1.00 14.12 H new ATOM 400 N ILE A 29 27.082 -10.994 -1.241 1.00 31.43 N ATOM 401 CA ILE A 29 27.525 -12.375 -1.392 1.00 40.45 C ATOM 402 C ILE A 29 27.806 -12.706 -2.854 1.00 14.33 C ATOM 403 O ILE A 29 28.856 -13.255 -3.186 1.00 13.41 O ATOM 404 CB ILE A 29 26.479 -13.365 -0.846 1.00 22.32 C ATOM 405 CG1 ILE A 29 26.205 -13.086 0.633 1.00 13.41 C ATOM 406 CG2 ILE A 29 26.950 -14.797 -1.042 1.00 63.04 C ATOM 407 CD1 ILE A 29 24.898 -13.666 1.126 1.00 62.43 C ATOM 0 H ILE A 29 26.214 -10.884 -0.716 1.00 31.43 H new ATOM 0 HA ILE A 29 28.445 -12.476 -0.816 1.00 40.45 H new ATOM 0 HB ILE A 29 25.550 -13.231 -1.400 1.00 22.32 H new ATOM 0 HG12 ILE A 29 27.022 -13.494 1.229 1.00 13.41 H new ATOM 0 HG13 ILE A 29 26.199 -12.008 0.796 1.00 13.41 H new ATOM 0 HG21 ILE A 29 26.199 -15.484 -0.651 1.00 63.04 H new ATOM 0 HG22 ILE A 29 27.099 -14.989 -2.105 1.00 63.04 H new ATOM 0 HG23 ILE A 29 27.890 -14.947 -0.511 1.00 63.04 H new ATOM 0 HD11 ILE A 29 24.770 -13.429 2.182 1.00 62.43 H new ATOM 0 HD12 ILE A 29 24.073 -13.239 0.556 1.00 62.43 H new ATOM 0 HD13 ILE A 29 24.908 -14.748 0.995 1.00 62.43 H new ATOM 419 N ALA A 30 26.861 -12.366 -3.724 1.00 2.53 N ATOM 420 CA ALA A 30 27.009 -12.622 -5.152 1.00 20.44 C ATOM 421 C ALA A 30 28.336 -12.081 -5.672 1.00 61.53 C ATOM 422 O ALA A 30 29.108 -12.802 -6.307 1.00 22.11 O ATOM 423 CB ALA A 30 25.849 -12.009 -5.921 1.00 1.24 C ATOM 0 H ALA A 30 25.985 -11.913 -3.465 1.00 2.53 H new ATOM 0 HA ALA A 30 27.002 -13.701 -5.305 1.00 20.44 H new ATOM 0 HB1 ALA A 30 25.973 -12.208 -6.986 1.00 1.24 H new ATOM 0 HB2 ALA A 30 24.912 -12.447 -5.576 1.00 1.24 H new ATOM 0 HB3 ALA A 30 25.830 -10.932 -5.753 1.00 1.24 H new ATOM 429 N THR A 31 28.599 -10.807 -5.399 1.00 63.13 N ATOM 430 CA THR A 31 29.832 -10.168 -5.842 1.00 61.04 C ATOM 431 C THR A 31 31.053 -10.855 -5.241 1.00 61.13 C ATOM 432 O THR A 31 32.079 -11.010 -5.902 1.00 5.41 O ATOM 433 CB THR A 31 29.859 -8.675 -5.464 1.00 40.33 C ATOM 434 OG1 THR A 31 28.577 -8.086 -5.707 1.00 32.33 O ATOM 435 CG2 THR A 31 30.922 -7.935 -6.260 1.00 65.53 C ATOM 0 H THR A 31 27.974 -10.197 -4.873 1.00 63.13 H new ATOM 0 HA THR A 31 29.864 -10.260 -6.928 1.00 61.04 H new ATOM 0 HB THR A 31 30.100 -8.595 -4.404 1.00 40.33 H new ATOM 0 HG1 THR A 31 27.949 -8.372 -5.011 1.00 32.33 H new ATOM 0 HG21 THR A 31 30.922 -6.883 -5.976 1.00 65.53 H new ATOM 0 HG22 THR A 31 31.900 -8.368 -6.051 1.00 65.53 H new ATOM 0 HG23 THR A 31 30.707 -8.023 -7.325 1.00 65.53 H new ATOM 443 N VAL A 32 30.935 -11.266 -3.981 1.00 63.42 N ATOM 444 CA VAL A 32 32.029 -11.938 -3.291 1.00 5.54 C ATOM 445 C VAL A 32 32.471 -13.186 -4.047 1.00 54.05 C ATOM 446 O VAL A 32 33.657 -13.367 -4.326 1.00 5.41 O ATOM 447 CB VAL A 32 31.629 -12.334 -1.858 1.00 73.24 C ATOM 448 CG1 VAL A 32 32.772 -13.062 -1.166 1.00 21.44 C ATOM 449 CG2 VAL A 32 31.210 -11.106 -1.063 1.00 21.44 C ATOM 0 H VAL A 32 30.093 -11.145 -3.419 1.00 63.42 H new ATOM 0 HA VAL A 32 32.857 -11.231 -3.247 1.00 5.54 H new ATOM 0 HB VAL A 32 30.777 -13.012 -1.912 1.00 73.24 H new ATOM 0 HG11 VAL A 32 32.471 -13.334 -0.154 1.00 21.44 H new ATOM 0 HG12 VAL A 32 33.021 -13.964 -1.725 1.00 21.44 H new ATOM 0 HG13 VAL A 32 33.645 -12.410 -1.122 1.00 21.44 H new ATOM 0 HG21 VAL A 32 30.931 -11.405 -0.053 1.00 21.44 H new ATOM 0 HG22 VAL A 32 32.041 -10.402 -1.017 1.00 21.44 H new ATOM 0 HG23 VAL A 32 30.358 -10.631 -1.550 1.00 21.44 H new ATOM 459 N ILE A 33 31.511 -14.044 -4.374 1.00 72.13 N ATOM 460 CA ILE A 33 31.802 -15.275 -5.099 1.00 54.42 C ATOM 461 C ILE A 33 32.421 -14.977 -6.461 1.00 4.00 C ATOM 462 O ILE A 33 33.385 -15.624 -6.870 1.00 21.31 O ATOM 463 CB ILE A 33 30.531 -16.123 -5.300 1.00 52.12 C ATOM 464 CG1 ILE A 33 29.835 -16.364 -3.959 1.00 21.12 C ATOM 465 CG2 ILE A 33 30.878 -17.445 -5.968 1.00 62.10 C ATOM 466 CD1 ILE A 33 30.689 -17.115 -2.961 1.00 11.23 C ATOM 0 H ILE A 33 30.525 -13.910 -4.149 1.00 72.13 H new ATOM 0 HA ILE A 33 32.513 -15.838 -4.494 1.00 54.42 H new ATOM 0 HB ILE A 33 29.847 -15.578 -5.950 1.00 52.12 H new ATOM 0 HG12 ILE A 33 29.548 -15.404 -3.530 1.00 21.12 H new ATOM 0 HG13 ILE A 33 28.915 -16.923 -4.131 1.00 21.12 H new ATOM 0 HG21 ILE A 33 29.971 -18.033 -6.104 1.00 62.10 H new ATOM 0 HG22 ILE A 33 31.335 -17.253 -6.939 1.00 62.10 H new ATOM 0 HG23 ILE A 33 31.578 -17.997 -5.341 1.00 62.10 H new ATOM 0 HD11 ILE A 33 30.132 -17.250 -2.034 1.00 11.23 H new ATOM 0 HD12 ILE A 33 30.954 -18.090 -3.370 1.00 11.23 H new ATOM 0 HD13 ILE A 33 31.597 -16.547 -2.759 1.00 11.23 H new ATOM 478 N VAL A 34 31.862 -13.994 -7.157 1.00 14.21 N ATOM 479 CA VAL A 34 32.362 -13.607 -8.472 1.00 63.22 C ATOM 480 C VAL A 34 33.843 -13.252 -8.414 1.00 1.31 C ATOM 481 O VAL A 34 34.655 -13.812 -9.152 1.00 61.34 O ATOM 482 CB VAL A 34 31.579 -12.408 -9.039 1.00 45.31 C ATOM 483 CG1 VAL A 34 32.063 -12.072 -10.442 1.00 71.33 C ATOM 484 CG2 VAL A 34 30.087 -12.698 -9.036 1.00 44.42 C ATOM 0 H VAL A 34 31.062 -13.450 -6.833 1.00 14.21 H new ATOM 0 HA VAL A 34 32.223 -14.465 -9.129 1.00 63.22 H new ATOM 0 HB VAL A 34 31.758 -11.543 -8.401 1.00 45.31 H new ATOM 0 HG11 VAL A 34 31.499 -11.223 -10.828 1.00 71.33 H new ATOM 0 HG12 VAL A 34 33.123 -11.820 -10.411 1.00 71.33 H new ATOM 0 HG13 VAL A 34 31.914 -12.933 -11.094 1.00 71.33 H new ATOM 0 HG21 VAL A 34 29.549 -11.840 -9.440 1.00 44.42 H new ATOM 0 HG22 VAL A 34 29.886 -13.575 -9.651 1.00 44.42 H new ATOM 0 HG23 VAL A 34 29.755 -12.887 -8.015 1.00 44.42 H new ATOM 494 N ILE A 35 34.189 -12.320 -7.533 1.00 52.04 N ATOM 495 CA ILE A 35 35.573 -11.892 -7.377 1.00 3.11 C ATOM 496 C ILE A 35 36.465 -13.055 -6.958 1.00 22.43 C ATOM 497 O ILE A 35 37.621 -13.148 -7.375 1.00 24.13 O ATOM 498 CB ILE A 35 35.700 -10.762 -6.337 1.00 71.33 C ATOM 499 CG1 ILE A 35 34.844 -9.563 -6.748 1.00 54.20 C ATOM 500 CG2 ILE A 35 37.156 -10.351 -6.178 1.00 4.32 C ATOM 501 CD1 ILE A 35 34.717 -8.513 -5.667 1.00 4.51 C ATOM 0 H ILE A 35 33.529 -11.847 -6.916 1.00 52.04 H new ATOM 0 HA ILE A 35 35.898 -11.519 -8.348 1.00 3.11 H new ATOM 0 HB ILE A 35 35.339 -11.129 -5.376 1.00 71.33 H new ATOM 0 HG12 ILE A 35 35.276 -9.106 -7.638 1.00 54.20 H new ATOM 0 HG13 ILE A 35 33.849 -9.914 -7.021 1.00 54.20 H new ATOM 0 HG21 ILE A 35 37.230 -9.552 -5.440 1.00 4.32 H new ATOM 0 HG22 ILE A 35 37.742 -11.208 -5.845 1.00 4.32 H new ATOM 0 HG23 ILE A 35 37.541 -9.998 -7.135 1.00 4.32 H new ATOM 0 HD11 ILE A 35 34.097 -7.692 -6.028 1.00 4.51 H new ATOM 0 HD12 ILE A 35 34.256 -8.955 -4.783 1.00 4.51 H new ATOM 0 HD13 ILE A 35 35.706 -8.134 -5.410 1.00 4.51 H new ATOM 513 N THR A 36 35.921 -13.944 -6.133 1.00 23.30 N ATOM 514 CA THR A 36 36.667 -15.103 -5.658 1.00 12.33 C ATOM 515 C THR A 36 37.020 -16.038 -6.808 1.00 64.40 C ATOM 516 O THR A 36 38.130 -16.569 -6.872 1.00 3.32 O ATOM 517 CB THR A 36 35.870 -15.889 -4.599 1.00 2.02 C ATOM 518 OG1 THR A 36 35.591 -15.048 -3.473 1.00 42.24 O ATOM 519 CG2 THR A 36 36.641 -17.118 -4.144 1.00 24.42 C ATOM 0 H THR A 36 34.966 -13.884 -5.780 1.00 23.30 H new ATOM 0 HA THR A 36 37.584 -14.725 -5.206 1.00 12.33 H new ATOM 0 HB THR A 36 34.932 -16.215 -5.049 1.00 2.02 H new ATOM 0 HG1 THR A 36 34.828 -14.469 -3.679 1.00 42.24 H new ATOM 0 HG21 THR A 36 36.059 -17.657 -3.397 1.00 24.42 H new ATOM 0 HG22 THR A 36 36.825 -17.769 -4.999 1.00 24.42 H new ATOM 0 HG23 THR A 36 37.592 -16.811 -3.710 1.00 24.42 H new ATOM 527 N LEU A 37 36.071 -16.236 -7.717 1.00 64.30 N ATOM 528 CA LEU A 37 36.284 -17.108 -8.867 1.00 12.02 C ATOM 529 C LEU A 37 37.337 -16.526 -9.805 1.00 42.22 C ATOM 530 O LEU A 37 38.256 -17.225 -10.233 1.00 14.21 O ATOM 531 CB LEU A 37 34.970 -17.316 -9.624 1.00 4.41 C ATOM 532 CG LEU A 37 35.088 -17.939 -11.016 1.00 24.51 C ATOM 533 CD1 LEU A 37 33.907 -18.856 -11.292 1.00 52.32 C ATOM 534 CD2 LEU A 37 35.183 -16.854 -12.079 1.00 32.01 C ATOM 0 H LEU A 37 35.147 -15.805 -7.680 1.00 64.30 H new ATOM 0 HA LEU A 37 36.642 -18.070 -8.501 1.00 12.02 H new ATOM 0 HB2 LEU A 37 34.321 -17.949 -9.018 1.00 4.41 H new ATOM 0 HB3 LEU A 37 34.473 -16.351 -9.721 1.00 4.41 H new ATOM 0 HG LEU A 37 36.000 -18.535 -11.051 1.00 24.51 H new ATOM 0 HD11 LEU A 37 34.008 -19.290 -12.287 1.00 52.32 H new ATOM 0 HD12 LEU A 37 33.884 -19.653 -10.549 1.00 52.32 H new ATOM 0 HD13 LEU A 37 32.981 -18.283 -11.239 1.00 52.32 H new ATOM 0 HD21 LEU A 37 35.266 -17.315 -13.063 1.00 32.01 H new ATOM 0 HD22 LEU A 37 34.289 -16.232 -12.044 1.00 32.01 H new ATOM 0 HD23 LEU A 37 36.062 -16.237 -11.892 1.00 32.01 H new ATOM 546 N VAL A 38 37.198 -15.241 -10.118 1.00 12.50 N ATOM 547 CA VAL A 38 38.139 -14.564 -11.002 1.00 14.13 C ATOM 548 C VAL A 38 39.548 -14.580 -10.420 1.00 43.02 C ATOM 549 O VAL A 38 40.522 -14.834 -11.129 1.00 4.42 O ATOM 550 CB VAL A 38 37.717 -13.106 -11.258 1.00 63.23 C ATOM 551 CG1 VAL A 38 38.732 -12.405 -12.150 1.00 52.42 C ATOM 552 CG2 VAL A 38 36.328 -13.054 -11.877 1.00 72.31 C ATOM 0 H VAL A 38 36.443 -14.649 -9.772 1.00 12.50 H new ATOM 0 HA VAL A 38 38.134 -15.107 -11.947 1.00 14.13 H new ATOM 0 HB VAL A 38 37.685 -12.583 -10.302 1.00 63.23 H new ATOM 0 HG11 VAL A 38 38.417 -11.375 -12.320 1.00 52.42 H new ATOM 0 HG12 VAL A 38 39.708 -12.410 -11.665 1.00 52.42 H new ATOM 0 HG13 VAL A 38 38.799 -12.926 -13.105 1.00 52.42 H new ATOM 0 HG21 VAL A 38 36.046 -12.016 -12.051 1.00 72.31 H new ATOM 0 HG22 VAL A 38 36.331 -13.593 -12.824 1.00 72.31 H new ATOM 0 HG23 VAL A 38 35.610 -13.516 -11.199 1.00 72.31 H new ATOM 562 N MET A 39 39.649 -14.306 -9.123 1.00 61.25 N ATOM 563 CA MET A 39 40.940 -14.290 -8.444 1.00 21.03 C ATOM 564 C MET A 39 41.564 -15.681 -8.430 1.00 45.04 C ATOM 565 O MET A 39 42.758 -15.841 -8.685 1.00 22.32 O ATOM 566 CB MET A 39 40.782 -13.774 -7.013 1.00 2.21 C ATOM 567 CG MET A 39 41.091 -12.293 -6.863 1.00 10.01 C ATOM 568 SD MET A 39 42.538 -11.987 -5.832 1.00 64.42 S ATOM 569 CE MET A 39 41.819 -12.106 -4.196 1.00 13.41 C ATOM 0 H MET A 39 38.853 -14.092 -8.522 1.00 61.25 H new ATOM 0 HA MET A 39 41.602 -13.620 -8.992 1.00 21.03 H new ATOM 0 HB2 MET A 39 39.761 -13.959 -6.679 1.00 2.21 H new ATOM 0 HB3 MET A 39 41.440 -14.342 -6.356 1.00 2.21 H new ATOM 0 HG2 MET A 39 41.254 -11.858 -7.849 1.00 10.01 H new ATOM 0 HG3 MET A 39 40.228 -11.788 -6.430 1.00 10.01 H new ATOM 0 HE1 MET A 39 42.592 -11.939 -3.446 1.00 13.41 H new ATOM 0 HE2 MET A 39 41.038 -11.353 -4.086 1.00 13.41 H new ATOM 0 HE3 MET A 39 41.388 -13.098 -4.059 1.00 13.41 H new ATOM 579 N LEU A 40 40.750 -16.687 -8.128 1.00 32.34 N ATOM 580 CA LEU A 40 41.222 -18.066 -8.079 1.00 63.45 C ATOM 581 C LEU A 40 41.794 -18.494 -9.427 1.00 3.35 C ATOM 582 O LEU A 40 42.674 -19.352 -9.496 1.00 22.51 O ATOM 583 CB LEU A 40 40.082 -19.003 -7.676 1.00 12.50 C ATOM 584 CG LEU A 40 40.401 -20.498 -7.699 1.00 51.42 C ATOM 585 CD1 LEU A 40 39.840 -21.182 -6.463 1.00 44.13 C ATOM 586 CD2 LEU A 40 39.849 -21.141 -8.964 1.00 71.23 C ATOM 0 H LEU A 40 39.759 -16.573 -7.913 1.00 32.34 H new ATOM 0 HA LEU A 40 42.014 -18.126 -7.333 1.00 63.45 H new ATOM 0 HB2 LEU A 40 39.758 -18.737 -6.670 1.00 12.50 H new ATOM 0 HB3 LEU A 40 39.238 -18.822 -8.341 1.00 12.50 H new ATOM 0 HG LEU A 40 41.484 -20.620 -7.696 1.00 51.42 H new ATOM 0 HD11 LEU A 40 40.077 -22.245 -6.497 1.00 44.13 H new ATOM 0 HD12 LEU A 40 40.282 -20.740 -5.570 1.00 44.13 H new ATOM 0 HD13 LEU A 40 38.758 -21.052 -6.435 1.00 44.13 H new ATOM 0 HD21 LEU A 40 40.085 -22.205 -8.964 1.00 71.23 H new ATOM 0 HD22 LEU A 40 38.768 -21.009 -8.997 1.00 71.23 H new ATOM 0 HD23 LEU A 40 40.299 -20.670 -9.838 1.00 71.23 H new ATOM 598 N LYS A 41 41.289 -17.889 -10.497 1.00 21.33 N ATOM 599 CA LYS A 41 41.751 -18.204 -11.844 1.00 43.51 C ATOM 600 C LYS A 41 43.012 -17.416 -12.183 1.00 52.01 C ATOM 601 O LYS A 41 43.904 -17.919 -12.869 1.00 71.12 O ATOM 602 CB LYS A 41 40.655 -17.896 -12.866 1.00 53.23 C ATOM 603 CG LYS A 41 39.550 -18.938 -12.905 1.00 12.31 C ATOM 604 CD LYS A 41 39.257 -19.386 -14.327 1.00 0.25 C ATOM 605 CE LYS A 41 40.193 -20.503 -14.764 1.00 15.01 C ATOM 606 NZ LYS A 41 41.081 -20.078 -15.881 1.00 0.01 N1+ ATOM 0 H LYS A 41 40.559 -17.177 -10.457 1.00 21.33 H new ATOM 0 HA LYS A 41 41.986 -19.268 -11.882 1.00 43.51 H new ATOM 0 HB2 LYS A 41 40.218 -16.924 -12.636 1.00 53.23 H new ATOM 0 HB3 LYS A 41 41.104 -17.818 -13.856 1.00 53.23 H new ATOM 0 HG2 LYS A 41 39.840 -19.800 -12.303 1.00 12.31 H new ATOM 0 HG3 LYS A 41 38.645 -18.527 -12.458 1.00 12.31 H new ATOM 0 HD2 LYS A 41 38.224 -19.727 -14.396 1.00 0.25 H new ATOM 0 HD3 LYS A 41 39.359 -18.538 -15.005 1.00 0.25 H new ATOM 0 HE2 LYS A 41 40.801 -20.819 -13.917 1.00 15.01 H new ATOM 0 HE3 LYS A 41 39.606 -21.367 -15.075 1.00 15.01 H new ATOM 0 HZ1 LYS A 41 41.703 -20.867 -16.149 1.00 0.01 H new ATOM 0 HZ2 LYS A 41 40.502 -19.800 -16.699 1.00 0.01 H new ATOM 0 HZ3 LYS A 41 41.660 -19.269 -15.576 1.00 0.01 H new ATOM 672 N SER B 2 24.650 4.321 -12.582 1.00 72.12 N ATOM 673 CA SER B 2 23.907 3.068 -12.661 1.00 41.31 C ATOM 674 C SER B 2 23.215 2.762 -11.338 1.00 35.14 C ATOM 675 O SER B 2 22.023 2.456 -11.305 1.00 22.20 O ATOM 676 CB SER B 2 24.844 1.919 -13.039 1.00 64.41 C ATOM 677 OG SER B 2 24.324 0.674 -12.606 1.00 51.02 O ATOM 0 HA SER B 2 23.144 3.174 -13.432 1.00 41.31 H new ATOM 0 HB2 SER B 2 24.986 1.902 -14.120 1.00 64.41 H new ATOM 0 HB3 SER B 2 25.824 2.083 -12.592 1.00 64.41 H new ATOM 0 HG SER B 2 24.940 -0.044 -12.861 1.00 51.02 H new ATOM 683 N GLN B 3 23.972 2.846 -10.248 1.00 42.32 N ATOM 684 CA GLN B 3 23.432 2.576 -8.920 1.00 54.12 C ATOM 685 C GLN B 3 22.364 3.600 -8.550 1.00 55.21 C ATOM 686 O GLN B 3 21.471 3.319 -7.750 1.00 15.34 O ATOM 687 CB GLN B 3 24.552 2.590 -7.878 1.00 34.12 C ATOM 688 CG GLN B 3 25.078 3.982 -7.569 1.00 43.54 C ATOM 689 CD GLN B 3 26.479 3.961 -6.992 1.00 71.33 C ATOM 690 OE1 GLN B 3 26.688 4.298 -5.825 1.00 74.31 O ATOM 691 NE2 GLN B 3 27.450 3.564 -7.806 1.00 35.24 N ATOM 0 H GLN B 3 24.960 3.099 -10.258 1.00 42.32 H new ATOM 0 HA GLN B 3 22.973 1.588 -8.935 1.00 54.12 H new ATOM 0 HB2 GLN B 3 24.186 2.136 -6.957 1.00 34.12 H new ATOM 0 HB3 GLN B 3 25.375 1.970 -8.233 1.00 34.12 H new ATOM 0 HG2 GLN B 3 25.074 4.579 -8.481 1.00 43.54 H new ATOM 0 HG3 GLN B 3 24.406 4.472 -6.864 1.00 43.54 H new ATOM 0 HE21 GLN B 3 27.233 3.294 -8.765 1.00 35.24 H new ATOM 0 HE22 GLN B 3 28.413 3.529 -7.472 1.00 35.24 H new ATOM 700 N LYS B 4 22.461 4.789 -9.135 1.00 43.11 N ATOM 701 CA LYS B 4 21.504 5.855 -8.868 1.00 32.21 C ATOM 702 C LYS B 4 20.083 5.404 -9.192 1.00 53.02 C ATOM 703 O LYS B 4 19.133 5.756 -8.490 1.00 40.43 O ATOM 704 CB LYS B 4 21.854 7.100 -9.687 1.00 12.53 C ATOM 705 CG LYS B 4 21.344 8.393 -9.075 1.00 1.55 C ATOM 706 CD LYS B 4 21.675 9.591 -9.948 1.00 35.44 C ATOM 707 CE LYS B 4 23.031 10.181 -9.594 1.00 5.21 C ATOM 708 NZ LYS B 4 23.187 11.568 -10.113 1.00 4.24 N1+ ATOM 0 H LYS B 4 23.195 5.038 -9.798 1.00 43.11 H new ATOM 0 HA LYS B 4 21.556 6.099 -7.807 1.00 32.21 H new ATOM 0 HB2 LYS B 4 22.937 7.161 -9.795 1.00 12.53 H new ATOM 0 HB3 LYS B 4 21.439 6.994 -10.689 1.00 12.53 H new ATOM 0 HG2 LYS B 4 20.265 8.330 -8.936 1.00 1.55 H new ATOM 0 HG3 LYS B 4 21.785 8.528 -8.088 1.00 1.55 H new ATOM 0 HD2 LYS B 4 21.670 9.291 -10.996 1.00 35.44 H new ATOM 0 HD3 LYS B 4 20.904 10.352 -9.830 1.00 35.44 H new ATOM 0 HE2 LYS B 4 23.154 10.183 -8.511 1.00 5.21 H new ATOM 0 HE3 LYS B 4 23.819 9.550 -10.003 1.00 5.21 H new ATOM 0 HZ1 LYS B 4 24.125 11.934 -9.850 1.00 4.24 H new ATOM 0 HZ2 LYS B 4 23.095 11.563 -11.149 1.00 4.24 H new ATOM 0 HZ3 LYS B 4 22.451 12.177 -9.703 1.00 4.24 H new ATOM 722 N LEU B 5 19.943 4.623 -10.258 1.00 34.22 N ATOM 723 CA LEU B 5 18.638 4.122 -10.674 1.00 23.42 C ATOM 724 C LEU B 5 18.050 3.191 -9.619 1.00 41.44 C ATOM 725 O LEU B 5 16.910 3.366 -9.188 1.00 34.33 O ATOM 726 CB LEU B 5 18.754 3.388 -12.011 1.00 43.11 C ATOM 727 CG LEU B 5 17.467 2.759 -12.545 1.00 61.22 C ATOM 728 CD1 LEU B 5 17.087 3.376 -13.883 1.00 31.04 C ATOM 729 CD2 LEU B 5 17.623 1.252 -12.676 1.00 32.43 C ATOM 0 H LEU B 5 20.718 4.323 -10.850 1.00 34.22 H new ATOM 0 HA LEU B 5 17.970 4.975 -10.792 1.00 23.42 H new ATOM 0 HB2 LEU B 5 19.128 4.090 -12.757 1.00 43.11 H new ATOM 0 HB3 LEU B 5 19.503 2.603 -11.908 1.00 43.11 H new ATOM 0 HG LEU B 5 16.666 2.960 -11.834 1.00 61.22 H new ATOM 0 HD11 LEU B 5 16.169 2.916 -14.248 1.00 31.04 H new ATOM 0 HD12 LEU B 5 16.932 4.448 -13.758 1.00 31.04 H new ATOM 0 HD13 LEU B 5 17.888 3.207 -14.602 1.00 31.04 H new ATOM 0 HD21 LEU B 5 16.697 0.822 -13.057 1.00 32.43 H new ATOM 0 HD22 LEU B 5 18.437 1.029 -13.365 1.00 32.43 H new ATOM 0 HD23 LEU B 5 17.847 0.823 -11.699 1.00 32.43 H new ATOM 741 N VAL B 6 18.837 2.204 -9.203 1.00 61.20 N ATOM 742 CA VAL B 6 18.395 1.247 -8.195 1.00 73.22 C ATOM 743 C VAL B 6 18.013 1.952 -6.899 1.00 65.44 C ATOM 744 O VAL B 6 17.087 1.535 -6.202 1.00 21.42 O ATOM 745 CB VAL B 6 19.488 0.203 -7.896 1.00 23.24 C ATOM 746 CG1 VAL B 6 18.967 -0.855 -6.935 1.00 75.25 C ATOM 747 CG2 VAL B 6 19.984 -0.433 -9.185 1.00 10.05 C ATOM 0 H VAL B 6 19.784 2.046 -9.548 1.00 61.20 H new ATOM 0 HA VAL B 6 17.520 0.740 -8.601 1.00 73.22 H new ATOM 0 HB VAL B 6 20.329 0.708 -7.421 1.00 23.24 H new ATOM 0 HG11 VAL B 6 19.753 -1.584 -6.735 1.00 75.25 H new ATOM 0 HG12 VAL B 6 18.666 -0.381 -6.001 1.00 75.25 H new ATOM 0 HG13 VAL B 6 18.109 -1.359 -7.379 1.00 75.25 H new ATOM 0 HG21 VAL B 6 20.756 -1.168 -8.955 1.00 10.05 H new ATOM 0 HG22 VAL B 6 19.153 -0.925 -9.691 1.00 10.05 H new ATOM 0 HG23 VAL B 6 20.399 0.338 -9.835 1.00 10.05 H new ATOM 757 N PHE B 7 18.731 3.024 -6.580 1.00 44.35 N ATOM 758 CA PHE B 7 18.467 3.788 -5.366 1.00 4.41 C ATOM 759 C PHE B 7 17.126 4.510 -5.459 1.00 63.22 C ATOM 760 O PHE B 7 16.460 4.738 -4.449 1.00 2.21 O ATOM 761 CB PHE B 7 19.588 4.801 -5.122 1.00 22.50 C ATOM 762 CG PHE B 7 19.858 5.055 -3.666 1.00 33.23 C ATOM 763 CD1 PHE B 7 20.214 4.015 -2.822 1.00 35.51 C ATOM 764 CD2 PHE B 7 19.756 6.334 -3.142 1.00 54.13 C ATOM 765 CE1 PHE B 7 20.463 4.246 -1.482 1.00 14.54 C ATOM 766 CE2 PHE B 7 20.006 6.570 -1.804 1.00 51.43 C ATOM 767 CZ PHE B 7 20.359 5.525 -0.972 1.00 53.25 C ATOM 0 H PHE B 7 19.500 3.383 -7.145 1.00 44.35 H new ATOM 0 HA PHE B 7 18.428 3.091 -4.529 1.00 4.41 H new ATOM 0 HB2 PHE B 7 20.502 4.442 -5.596 1.00 22.50 H new ATOM 0 HB3 PHE B 7 19.328 5.743 -5.605 1.00 22.50 H new ATOM 0 HD1 PHE B 7 20.298 3.013 -3.216 1.00 35.51 H new ATOM 0 HD2 PHE B 7 19.478 7.155 -3.787 1.00 54.13 H new ATOM 0 HE1 PHE B 7 20.739 3.427 -0.834 1.00 14.54 H new ATOM 0 HE2 PHE B 7 19.925 7.572 -1.408 1.00 51.43 H new ATOM 0 HZ PHE B 7 20.553 5.708 0.075 1.00 53.25 H new ATOM 777 N PHE B 8 16.737 4.869 -6.679 1.00 14.24 N ATOM 778 CA PHE B 8 15.476 5.566 -6.904 1.00 23.40 C ATOM 779 C PHE B 8 14.292 4.618 -6.738 1.00 21.31 C ATOM 780 O PHE B 8 13.229 5.014 -6.259 1.00 43.03 O ATOM 781 CB PHE B 8 15.456 6.186 -8.303 1.00 62.24 C ATOM 782 CG PHE B 8 15.096 7.644 -8.308 1.00 44.41 C ATOM 783 CD1 PHE B 8 16.066 8.611 -8.099 1.00 71.13 C ATOM 784 CD2 PHE B 8 13.788 8.049 -8.521 1.00 45.44 C ATOM 785 CE1 PHE B 8 15.739 9.954 -8.103 1.00 35.51 C ATOM 786 CE2 PHE B 8 13.456 9.390 -8.526 1.00 71.42 C ATOM 787 CZ PHE B 8 14.432 10.344 -8.315 1.00 61.34 C ATOM 0 H PHE B 8 17.277 4.689 -7.526 1.00 14.24 H new ATOM 0 HA PHE B 8 15.390 6.359 -6.161 1.00 23.40 H new ATOM 0 HB2 PHE B 8 16.437 6.061 -8.761 1.00 62.24 H new ATOM 0 HB3 PHE B 8 14.743 5.642 -8.923 1.00 62.24 H new ATOM 0 HD1 PHE B 8 17.090 8.312 -7.931 1.00 71.13 H new ATOM 0 HD2 PHE B 8 13.020 7.308 -8.685 1.00 45.44 H new ATOM 0 HE1 PHE B 8 16.505 10.697 -7.940 1.00 35.51 H new ATOM 0 HE2 PHE B 8 12.433 9.692 -8.695 1.00 71.42 H new ATOM 0 HZ PHE B 8 14.173 11.393 -8.316 1.00 61.34 H new ATOM 797 N ALA B 9 14.484 3.365 -7.137 1.00 3.32 N ATOM 798 CA ALA B 9 13.434 2.360 -7.031 1.00 54.53 C ATOM 799 C ALA B 9 13.028 2.141 -5.578 1.00 33.43 C ATOM 800 O ALA B 9 11.843 2.139 -5.248 1.00 63.12 O ATOM 801 CB ALA B 9 13.892 1.052 -7.656 1.00 3.22 C ATOM 0 H ALA B 9 15.357 3.022 -7.537 1.00 3.32 H new ATOM 0 HA ALA B 9 12.561 2.723 -7.573 1.00 54.53 H new ATOM 0 HB1 ALA B 9 13.098 0.310 -7.570 1.00 3.22 H new ATOM 0 HB2 ALA B 9 14.125 1.214 -8.708 1.00 3.22 H new ATOM 0 HB3 ALA B 9 14.782 0.693 -7.138 1.00 3.22 H new ATOM 807 N GLU B 10 14.021 1.956 -4.712 1.00 45.21 N ATOM 808 CA GLU B 10 13.766 1.734 -3.294 1.00 70.42 C ATOM 809 C GLU B 10 13.065 2.939 -2.673 1.00 44.53 C ATOM 810 O GLU B 10 12.241 2.793 -1.769 1.00 32.34 O ATOM 811 CB GLU B 10 15.076 1.454 -2.555 1.00 22.13 C ATOM 812 CG GLU B 10 14.927 0.477 -1.401 1.00 1.50 C ATOM 813 CD GLU B 10 15.289 -0.944 -1.787 1.00 64.55 C ATOM 814 OE1 GLU B 10 16.336 -1.130 -2.441 1.00 64.21 O ATOM 815 OE2 GLU B 10 14.525 -1.867 -1.436 1.00 2.44 O1- ATOM 0 H GLU B 10 15.008 1.956 -4.968 1.00 45.21 H new ATOM 0 HA GLU B 10 13.112 0.867 -3.199 1.00 70.42 H new ATOM 0 HB2 GLU B 10 15.805 1.059 -3.262 1.00 22.13 H new ATOM 0 HB3 GLU B 10 15.477 2.394 -2.175 1.00 22.13 H new ATOM 0 HG2 GLU B 10 15.562 0.798 -0.575 1.00 1.50 H new ATOM 0 HG3 GLU B 10 13.898 0.501 -1.041 1.00 1.50 H new ATOM 822 N ASP B 11 13.401 4.128 -3.161 1.00 22.22 N ATOM 823 CA ASP B 11 12.805 5.358 -2.655 1.00 24.31 C ATOM 824 C ASP B 11 11.282 5.273 -2.677 1.00 71.11 C ATOM 825 O ASP B 11 10.624 5.483 -1.658 1.00 64.32 O ATOM 826 CB ASP B 11 13.273 6.555 -3.484 1.00 44.23 C ATOM 827 CG ASP B 11 13.156 7.864 -2.728 1.00 22.45 C ATOM 828 OD1 ASP B 11 12.338 7.934 -1.787 1.00 74.44 O1- ATOM 829 OD2 ASP B 11 13.881 8.819 -3.077 1.00 53.01 O ATOM 0 H ASP B 11 14.083 4.266 -3.907 1.00 22.22 H new ATOM 0 HA ASP B 11 13.129 5.492 -1.623 1.00 24.31 H new ATOM 0 HB2 ASP B 11 14.310 6.403 -3.783 1.00 44.23 H new ATOM 0 HB3 ASP B 11 12.683 6.613 -4.399 1.00 44.23 H new ATOM 834 N VAL B 12 10.728 4.967 -3.845 1.00 55.21 N ATOM 835 CA VAL B 12 9.283 4.856 -4.001 1.00 52.10 C ATOM 836 C VAL B 12 8.763 3.558 -3.390 1.00 62.40 C ATOM 837 O VAL B 12 7.968 3.576 -2.452 1.00 65.11 O ATOM 838 CB VAL B 12 8.871 4.913 -5.484 1.00 62.05 C ATOM 839 CG1 VAL B 12 7.355 4.915 -5.618 1.00 4.04 C ATOM 840 CG2 VAL B 12 9.476 6.135 -6.158 1.00 52.34 C ATOM 0 H VAL B 12 11.259 4.791 -4.698 1.00 55.21 H new ATOM 0 HA VAL B 12 8.842 5.704 -3.477 1.00 52.10 H new ATOM 0 HB VAL B 12 9.254 4.024 -5.984 1.00 62.05 H new ATOM 0 HG11 VAL B 12 7.083 4.956 -6.673 1.00 4.04 H new ATOM 0 HG12 VAL B 12 6.949 4.006 -5.173 1.00 4.04 H new ATOM 0 HG13 VAL B 12 6.945 5.785 -5.104 1.00 4.04 H new ATOM 0 HG21 VAL B 12 9.175 6.159 -7.205 1.00 52.34 H new ATOM 0 HG22 VAL B 12 9.125 7.038 -5.658 1.00 52.34 H new ATOM 0 HG23 VAL B 12 10.563 6.085 -6.094 1.00 52.34 H new ATOM 850 N GLY B 13 9.220 2.432 -3.930 1.00 23.54 N ATOM 851 CA GLY B 13 8.792 1.141 -3.425 1.00 64.33 C ATOM 852 C GLY B 13 7.535 0.639 -4.109 1.00 22.53 C ATOM 853 O GLY B 13 6.812 -0.193 -3.562 1.00 53.34 O ATOM 0 H GLY B 13 9.879 2.391 -4.708 1.00 23.54 H new ATOM 0 HA2 GLY B 13 9.593 0.415 -3.566 1.00 64.33 H new ATOM 0 HA3 GLY B 13 8.614 1.215 -2.352 1.00 64.33 H new ATOM 857 N SER B 14 7.274 1.147 -5.309 1.00 21.23 N ATOM 858 CA SER B 14 6.093 0.750 -6.067 1.00 62.54 C ATOM 859 C SER B 14 6.429 -0.369 -7.049 1.00 73.21 C ATOM 860 O SER B 14 5.816 -1.435 -7.026 1.00 41.54 O ATOM 861 CB SER B 14 5.516 1.949 -6.821 1.00 5.22 C ATOM 862 OG SER B 14 4.100 1.898 -6.855 1.00 73.04 O ATOM 0 H SER B 14 7.864 1.834 -5.777 1.00 21.23 H new ATOM 0 HA SER B 14 5.347 0.381 -5.363 1.00 62.54 H new ATOM 0 HB2 SER B 14 5.838 2.873 -6.341 1.00 5.22 H new ATOM 0 HB3 SER B 14 5.907 1.965 -7.838 1.00 5.22 H new ATOM 0 HG SER B 14 3.756 2.676 -7.341 1.00 73.04 H new ATOM 966 N LEU B 22 15.314 -8.198 -7.385 1.00 1.10 N ATOM 967 CA LEU B 22 16.431 -7.956 -6.478 1.00 63.54 C ATOM 968 C LEU B 22 16.634 -9.139 -5.535 1.00 3.34 C ATOM 969 O LEU B 22 17.755 -9.607 -5.345 1.00 3.31 O ATOM 970 CB LEU B 22 16.190 -6.680 -5.669 1.00 2.22 C ATOM 971 CG LEU B 22 17.099 -5.496 -5.998 1.00 43.13 C ATOM 972 CD1 LEU B 22 16.779 -4.312 -5.098 1.00 35.24 C ATOM 973 CD2 LEU B 22 18.562 -5.892 -5.860 1.00 43.24 C ATOM 0 HA LEU B 22 17.333 -7.834 -7.077 1.00 63.54 H new ATOM 0 HB2 LEU B 22 15.155 -6.370 -5.816 1.00 2.22 H new ATOM 0 HB3 LEU B 22 16.304 -6.917 -4.611 1.00 2.22 H new ATOM 0 HG LEU B 22 16.919 -5.201 -7.032 1.00 43.13 H new ATOM 0 HD11 LEU B 22 17.436 -3.478 -5.346 1.00 35.24 H new ATOM 0 HD12 LEU B 22 15.741 -4.013 -5.245 1.00 35.24 H new ATOM 0 HD13 LEU B 22 16.930 -4.595 -4.056 1.00 35.24 H new ATOM 0 HD21 LEU B 22 19.194 -5.037 -6.098 1.00 43.24 H new ATOM 0 HD22 LEU B 22 18.757 -6.214 -4.837 1.00 43.24 H new ATOM 0 HD23 LEU B 22 18.784 -6.709 -6.546 1.00 43.24 H new ATOM 985 N MET B 23 15.540 -9.616 -4.951 1.00 44.40 N ATOM 986 CA MET B 23 15.597 -10.746 -4.030 1.00 71.22 C ATOM 987 C MET B 23 15.768 -12.058 -4.791 1.00 4.21 C ATOM 988 O MET B 23 16.738 -12.787 -4.581 1.00 74.33 O ATOM 989 CB MET B 23 14.330 -10.800 -3.176 1.00 54.41 C ATOM 990 CG MET B 23 13.814 -9.429 -2.768 1.00 32.30 C ATOM 991 SD MET B 23 12.636 -9.509 -1.405 1.00 4.02 S ATOM 992 CE MET B 23 13.626 -8.856 -0.063 1.00 45.11 C ATOM 0 H MET B 23 14.604 -9.238 -5.099 1.00 44.40 H new ATOM 0 HA MET B 23 16.460 -10.609 -3.378 1.00 71.22 H new ATOM 0 HB2 MET B 23 13.550 -11.323 -3.730 1.00 54.41 H new ATOM 0 HB3 MET B 23 14.531 -11.386 -2.279 1.00 54.41 H new ATOM 0 HG2 MET B 23 14.656 -8.799 -2.480 1.00 32.30 H new ATOM 0 HG3 MET B 23 13.339 -8.953 -3.626 1.00 32.30 H new ATOM 0 HE1 MET B 23 13.193 -9.160 0.890 1.00 45.11 H new ATOM 0 HE2 MET B 23 14.642 -9.243 -0.139 1.00 45.11 H new ATOM 0 HE3 MET B 23 13.646 -7.768 -0.122 1.00 45.11 H new ATOM 1002 N VAL B 24 14.820 -12.352 -5.675 1.00 14.24 N ATOM 1003 CA VAL B 24 14.866 -13.575 -6.467 1.00 33.43 C ATOM 1004 C VAL B 24 16.132 -13.634 -7.314 1.00 12.43 C ATOM 1005 O VAL B 24 16.825 -14.651 -7.345 1.00 51.14 O ATOM 1006 CB VAL B 24 13.639 -13.694 -7.390 1.00 32.42 C ATOM 1007 CG1 VAL B 24 13.708 -14.971 -8.211 1.00 73.50 C ATOM 1008 CG2 VAL B 24 12.354 -13.643 -6.576 1.00 15.54 C ATOM 0 H VAL B 24 14.011 -11.760 -5.861 1.00 14.24 H new ATOM 0 HA VAL B 24 14.863 -14.407 -5.763 1.00 33.43 H new ATOM 0 HB VAL B 24 13.641 -12.849 -8.078 1.00 32.42 H new ATOM 0 HG11 VAL B 24 12.832 -15.036 -8.856 1.00 73.50 H new ATOM 0 HG12 VAL B 24 14.610 -14.962 -8.823 1.00 73.50 H new ATOM 0 HG13 VAL B 24 13.732 -15.832 -7.543 1.00 73.50 H new ATOM 0 HG21 VAL B 24 11.497 -13.728 -7.244 1.00 15.54 H new ATOM 0 HG22 VAL B 24 12.342 -14.467 -5.863 1.00 15.54 H new ATOM 0 HG23 VAL B 24 12.302 -12.697 -6.038 1.00 15.54 H new ATOM 1018 N GLY B 25 16.430 -12.535 -8.000 1.00 45.24 N ATOM 1019 CA GLY B 25 17.615 -12.482 -8.838 1.00 52.24 C ATOM 1020 C GLY B 25 18.897 -12.611 -8.040 1.00 12.45 C ATOM 1021 O GLY B 25 19.778 -13.394 -8.391 1.00 44.51 O ATOM 0 H GLY B 25 15.873 -11.681 -7.991 1.00 45.24 H new ATOM 0 HA2 GLY B 25 17.569 -13.282 -9.577 1.00 52.24 H new ATOM 0 HA3 GLY B 25 17.626 -11.540 -9.387 1.00 52.24 H new ATOM 1025 N GLY B 26 19.001 -11.839 -6.962 1.00 12.45 N ATOM 1026 CA GLY B 26 20.189 -11.884 -6.130 1.00 62.31 C ATOM 1027 C GLY B 26 20.491 -13.282 -5.627 1.00 71.30 C ATOM 1028 O GLY B 26 21.648 -13.701 -5.592 1.00 64.44 O ATOM 0 H GLY B 26 18.284 -11.184 -6.651 1.00 12.45 H new ATOM 0 HA2 GLY B 26 21.042 -11.514 -6.699 1.00 62.31 H new ATOM 0 HA3 GLY B 26 20.059 -11.215 -5.279 1.00 62.31 H new ATOM 1032 N VAL B 27 19.449 -14.007 -5.234 1.00 24.11 N ATOM 1033 CA VAL B 27 19.607 -15.365 -4.729 1.00 31.31 C ATOM 1034 C VAL B 27 20.011 -16.322 -5.845 1.00 64.42 C ATOM 1035 O VAL B 27 20.976 -17.075 -5.713 1.00 52.42 O ATOM 1036 CB VAL B 27 18.311 -15.876 -4.073 1.00 22.42 C ATOM 1037 CG1 VAL B 27 18.488 -17.303 -3.578 1.00 14.40 C ATOM 1038 CG2 VAL B 27 17.890 -14.957 -2.937 1.00 24.04 C ATOM 0 H VAL B 27 18.485 -13.676 -5.256 1.00 24.11 H new ATOM 0 HA VAL B 27 20.396 -15.333 -3.978 1.00 31.31 H new ATOM 0 HB VAL B 27 17.520 -15.874 -4.823 1.00 22.42 H new ATOM 0 HG11 VAL B 27 17.561 -17.646 -3.118 1.00 14.40 H new ATOM 0 HG12 VAL B 27 18.738 -17.951 -4.418 1.00 14.40 H new ATOM 0 HG13 VAL B 27 19.292 -17.336 -2.843 1.00 14.40 H new ATOM 0 HG21 VAL B 27 16.972 -15.334 -2.485 1.00 24.04 H new ATOM 0 HG22 VAL B 27 18.678 -14.924 -2.185 1.00 24.04 H new ATOM 0 HG23 VAL B 27 17.718 -13.953 -3.326 1.00 24.04 H new ATOM 1048 N VAL B 28 19.266 -16.288 -6.945 1.00 44.32 N ATOM 1049 CA VAL B 28 19.547 -17.150 -8.087 1.00 72.25 C ATOM 1050 C VAL B 28 20.956 -16.917 -8.618 1.00 61.12 C ATOM 1051 O VAL B 28 21.765 -17.843 -8.691 1.00 4.12 O ATOM 1052 CB VAL B 28 18.536 -16.922 -9.225 1.00 30.43 C ATOM 1053 CG1 VAL B 28 18.865 -17.808 -10.417 1.00 14.03 C ATOM 1054 CG2 VAL B 28 17.118 -17.178 -8.737 1.00 41.34 C ATOM 0 H VAL B 28 18.462 -15.672 -7.070 1.00 44.32 H new ATOM 0 HA VAL B 28 19.460 -18.178 -7.736 1.00 72.25 H new ATOM 0 HB VAL B 28 18.604 -15.882 -9.545 1.00 30.43 H new ATOM 0 HG11 VAL B 28 18.140 -17.633 -11.212 1.00 14.03 H new ATOM 0 HG12 VAL B 28 19.865 -17.572 -10.780 1.00 14.03 H new ATOM 0 HG13 VAL B 28 18.826 -18.854 -10.114 1.00 14.03 H new ATOM 0 HG21 VAL B 28 16.416 -17.012 -9.554 1.00 41.34 H new ATOM 0 HG22 VAL B 28 17.033 -18.208 -8.389 1.00 41.34 H new ATOM 0 HG23 VAL B 28 16.887 -16.498 -7.917 1.00 41.34 H new ATOM 1064 N ILE B 29 21.245 -15.673 -8.988 1.00 43.52 N ATOM 1065 CA ILE B 29 22.557 -15.317 -9.511 1.00 61.14 C ATOM 1066 C ILE B 29 23.668 -15.793 -8.581 1.00 31.13 C ATOM 1067 O ILE B 29 24.631 -16.421 -9.018 1.00 42.31 O ATOM 1068 CB ILE B 29 22.689 -13.796 -9.715 1.00 72.21 C ATOM 1069 CG1 ILE B 29 21.612 -13.293 -10.676 1.00 65.04 C ATOM 1070 CG2 ILE B 29 24.076 -13.450 -10.235 1.00 30.35 C ATOM 1071 CD1 ILE B 29 21.358 -11.805 -10.575 1.00 25.13 C ATOM 0 H ILE B 29 20.587 -14.895 -8.935 1.00 43.52 H new ATOM 0 HA ILE B 29 22.657 -15.814 -10.476 1.00 61.14 H new ATOM 0 HB ILE B 29 22.550 -13.302 -8.754 1.00 72.21 H new ATOM 0 HG12 ILE B 29 21.907 -13.534 -11.697 1.00 65.04 H new ATOM 0 HG13 ILE B 29 20.682 -13.826 -10.478 1.00 65.04 H new ATOM 0 HG21 ILE B 29 24.154 -12.372 -10.374 1.00 30.35 H new ATOM 0 HG22 ILE B 29 24.827 -13.778 -9.516 1.00 30.35 H new ATOM 0 HG23 ILE B 29 24.243 -13.952 -11.188 1.00 30.35 H new ATOM 0 HD11 ILE B 29 20.582 -11.519 -11.285 1.00 25.13 H new ATOM 0 HD12 ILE B 29 21.033 -11.559 -9.564 1.00 25.13 H new ATOM 0 HD13 ILE B 29 22.276 -11.263 -10.803 1.00 25.13 H new ATOM 1083 N ALA B 30 23.525 -15.491 -7.294 1.00 61.53 N ATOM 1084 CA ALA B 30 24.514 -15.890 -6.302 1.00 41.51 C ATOM 1085 C ALA B 30 24.814 -17.382 -6.395 1.00 3.30 C ATOM 1086 O ALA B 30 25.972 -17.789 -6.496 1.00 12.12 O ATOM 1087 CB ALA B 30 24.032 -15.533 -4.903 1.00 34.43 C ATOM 0 H ALA B 30 22.733 -14.971 -6.915 1.00 61.53 H new ATOM 0 HA ALA B 30 25.437 -15.347 -6.506 1.00 41.51 H new ATOM 0 HB1 ALA B 30 24.781 -15.837 -4.172 1.00 34.43 H new ATOM 0 HB2 ALA B 30 23.875 -14.456 -4.836 1.00 34.43 H new ATOM 0 HB3 ALA B 30 23.094 -16.050 -4.698 1.00 34.43 H new ATOM 1093 N THR B 31 23.763 -18.196 -6.361 1.00 55.34 N ATOM 1094 CA THR B 31 23.914 -19.643 -6.439 1.00 44.34 C ATOM 1095 C THR B 31 24.565 -20.058 -7.753 1.00 64.05 C ATOM 1096 O THR B 31 25.382 -20.978 -7.791 1.00 32.31 O ATOM 1097 CB THR B 31 22.556 -20.358 -6.306 1.00 71.41 C ATOM 1098 OG1 THR B 31 21.775 -19.737 -5.278 1.00 55.31 O ATOM 1099 CG2 THR B 31 22.750 -21.832 -5.981 1.00 41.44 C ATOM 0 H THR B 31 22.798 -17.877 -6.280 1.00 55.34 H new ATOM 0 HA THR B 31 24.555 -19.938 -5.609 1.00 44.34 H new ATOM 0 HB THR B 31 22.033 -20.278 -7.259 1.00 71.41 H new ATOM 0 HG1 THR B 31 21.426 -18.881 -5.604 1.00 55.31 H new ATOM 0 HG21 THR B 31 21.777 -22.316 -5.892 1.00 41.44 H new ATOM 0 HG22 THR B 31 23.321 -22.308 -6.778 1.00 41.44 H new ATOM 0 HG23 THR B 31 23.291 -21.929 -5.040 1.00 41.44 H new ATOM 1107 N VAL B 32 24.201 -19.371 -8.833 1.00 33.22 N ATOM 1108 CA VAL B 32 24.751 -19.666 -10.150 1.00 10.51 C ATOM 1109 C VAL B 32 26.272 -19.571 -10.142 1.00 44.22 C ATOM 1110 O VAL B 32 26.964 -20.492 -10.578 1.00 21.24 O ATOM 1111 CB VAL B 32 24.193 -18.709 -11.219 1.00 72.41 C ATOM 1112 CG1 VAL B 32 24.802 -19.014 -12.579 1.00 30.13 C ATOM 1113 CG2 VAL B 32 22.675 -18.799 -11.273 1.00 1.22 C ATOM 0 H VAL B 32 23.527 -18.606 -8.820 1.00 33.22 H new ATOM 0 HA VAL B 32 24.454 -20.685 -10.397 1.00 10.51 H new ATOM 0 HB VAL B 32 24.465 -17.689 -10.947 1.00 72.41 H new ATOM 0 HG11 VAL B 32 24.396 -18.328 -13.322 1.00 30.13 H new ATOM 0 HG12 VAL B 32 25.884 -18.894 -12.528 1.00 30.13 H new ATOM 0 HG13 VAL B 32 24.563 -20.039 -12.863 1.00 30.13 H new ATOM 0 HG21 VAL B 32 22.297 -18.116 -12.034 1.00 1.22 H new ATOM 0 HG22 VAL B 32 22.380 -19.818 -11.521 1.00 1.22 H new ATOM 0 HG23 VAL B 32 22.260 -18.527 -10.303 1.00 1.22 H new ATOM 1123 N ILE B 33 26.788 -18.451 -9.645 1.00 33.21 N ATOM 1124 CA ILE B 33 28.227 -18.237 -9.580 1.00 4.21 C ATOM 1125 C ILE B 33 28.902 -19.289 -8.706 1.00 15.44 C ATOM 1126 O ILE B 33 29.950 -19.828 -9.062 1.00 54.11 O ATOM 1127 CB ILE B 33 28.564 -16.838 -9.031 1.00 4.41 C ATOM 1128 CG1 ILE B 33 27.824 -15.762 -9.829 1.00 74.01 C ATOM 1129 CG2 ILE B 33 30.067 -16.599 -9.075 1.00 44.25 C ATOM 1130 CD1 ILE B 33 28.190 -15.740 -11.296 1.00 63.23 C ATOM 0 H ILE B 33 26.230 -17.678 -9.282 1.00 33.21 H new ATOM 0 HA ILE B 33 28.604 -18.320 -10.600 1.00 4.21 H new ATOM 0 HB ILE B 33 28.238 -16.783 -7.992 1.00 4.41 H new ATOM 0 HG12 ILE B 33 26.750 -15.924 -9.733 1.00 74.01 H new ATOM 0 HG13 ILE B 33 28.039 -14.786 -9.394 1.00 74.01 H new ATOM 0 HG21 ILE B 33 30.289 -15.606 -8.684 1.00 44.25 H new ATOM 0 HG22 ILE B 33 30.573 -17.350 -8.468 1.00 44.25 H new ATOM 0 HG23 ILE B 33 30.417 -16.670 -10.105 1.00 44.25 H new ATOM 0 HD11 ILE B 33 27.628 -14.953 -11.799 1.00 63.23 H new ATOM 0 HD12 ILE B 33 29.258 -15.548 -11.402 1.00 63.23 H new ATOM 0 HD13 ILE B 33 27.949 -16.703 -11.746 1.00 63.23 H new ATOM 1142 N VAL B 34 28.291 -19.579 -7.561 1.00 65.04 N ATOM 1143 CA VAL B 34 28.831 -20.570 -6.637 1.00 34.20 C ATOM 1144 C VAL B 34 29.022 -21.917 -7.325 1.00 44.13 C ATOM 1145 O VAL B 34 30.114 -22.485 -7.306 1.00 72.22 O ATOM 1146 CB VAL B 34 27.912 -20.755 -5.415 1.00 24.51 C ATOM 1147 CG1 VAL B 34 28.532 -21.728 -4.423 1.00 24.53 C ATOM 1148 CG2 VAL B 34 27.628 -19.415 -4.754 1.00 24.41 C ATOM 0 H VAL B 34 27.423 -19.142 -7.251 1.00 65.04 H new ATOM 0 HA VAL B 34 29.799 -20.197 -6.302 1.00 34.20 H new ATOM 0 HB VAL B 34 26.965 -21.174 -5.755 1.00 24.51 H new ATOM 0 HG11 VAL B 34 27.869 -21.846 -3.566 1.00 24.53 H new ATOM 0 HG12 VAL B 34 28.678 -22.695 -4.905 1.00 24.53 H new ATOM 0 HG13 VAL B 34 29.494 -21.341 -4.086 1.00 24.53 H new ATOM 0 HG21 VAL B 34 26.977 -19.565 -3.893 1.00 24.41 H new ATOM 0 HG22 VAL B 34 28.565 -18.965 -4.427 1.00 24.41 H new ATOM 0 HG23 VAL B 34 27.138 -18.754 -5.468 1.00 24.41 H new ATOM 1158 N ILE B 35 27.953 -22.422 -7.931 1.00 3.34 N ATOM 1159 CA ILE B 35 28.003 -23.702 -8.627 1.00 33.00 C ATOM 1160 C ILE B 35 29.029 -23.674 -9.755 1.00 44.55 C ATOM 1161 O ILE B 35 29.704 -24.669 -10.021 1.00 3.43 O ATOM 1162 CB ILE B 35 26.629 -24.081 -9.209 1.00 62.11 C ATOM 1163 CG1 ILE B 35 25.582 -24.149 -8.095 1.00 20.03 C ATOM 1164 CG2 ILE B 35 26.714 -25.410 -9.945 1.00 51.44 C ATOM 1165 CD1 ILE B 35 24.163 -24.270 -8.606 1.00 34.21 C ATOM 0 H ILE B 35 27.042 -21.964 -7.954 1.00 3.34 H new ATOM 0 HA ILE B 35 28.295 -24.450 -7.890 1.00 33.00 H new ATOM 0 HB ILE B 35 26.327 -23.313 -9.921 1.00 62.11 H new ATOM 0 HG12 ILE B 35 25.802 -25.001 -7.452 1.00 20.03 H new ATOM 0 HG13 ILE B 35 25.662 -23.255 -7.477 1.00 20.03 H new ATOM 0 HG21 ILE B 35 25.735 -25.664 -10.351 1.00 51.44 H new ATOM 0 HG22 ILE B 35 27.434 -25.330 -10.759 1.00 51.44 H new ATOM 0 HG23 ILE B 35 27.034 -26.189 -9.253 1.00 51.44 H new ATOM 0 HD11 ILE B 35 23.475 -24.313 -7.762 1.00 34.21 H new ATOM 0 HD12 ILE B 35 23.924 -23.405 -9.225 1.00 34.21 H new ATOM 0 HD13 ILE B 35 24.066 -25.179 -9.200 1.00 34.21 H new ATOM 1177 N THR B 36 29.143 -22.526 -10.417 1.00 75.45 N ATOM 1178 CA THR B 36 30.087 -22.368 -11.515 1.00 63.13 C ATOM 1179 C THR B 36 31.526 -22.494 -11.028 1.00 60.44 C ATOM 1180 O THR B 36 32.360 -23.125 -11.678 1.00 74.33 O ATOM 1181 CB THR B 36 29.912 -21.006 -12.215 1.00 71.44 C ATOM 1182 OG1 THR B 36 28.587 -20.894 -12.745 1.00 5.23 O ATOM 1183 CG2 THR B 36 30.929 -20.838 -13.334 1.00 0.52 C ATOM 0 H THR B 36 28.593 -21.692 -10.211 1.00 75.45 H new ATOM 0 HA THR B 36 29.877 -23.165 -12.228 1.00 63.13 H new ATOM 0 HB THR B 36 30.074 -20.220 -11.478 1.00 71.44 H new ATOM 0 HG1 THR B 36 27.977 -20.593 -12.040 1.00 5.23 H new ATOM 0 HG21 THR B 36 30.786 -19.870 -13.813 1.00 0.52 H new ATOM 0 HG22 THR B 36 31.936 -20.893 -12.921 1.00 0.52 H new ATOM 0 HG23 THR B 36 30.794 -21.631 -14.070 1.00 0.52 H new ATOM 1191 N LEU B 37 31.810 -21.893 -9.878 1.00 70.42 N ATOM 1192 CA LEU B 37 33.150 -21.939 -9.301 1.00 13.33 C ATOM 1193 C LEU B 37 33.505 -23.356 -8.862 1.00 71.54 C ATOM 1194 O LEU B 37 34.593 -23.853 -9.152 1.00 74.21 O ATOM 1195 CB LEU B 37 33.247 -20.985 -8.110 1.00 42.54 C ATOM 1196 CG LEU B 37 34.474 -21.152 -7.214 1.00 54.52 C ATOM 1197 CD1 LEU B 37 34.950 -19.802 -6.700 1.00 30.11 C ATOM 1198 CD2 LEU B 37 34.162 -22.086 -6.052 1.00 43.10 C ATOM 0 H LEU B 37 31.131 -21.368 -9.326 1.00 70.42 H new ATOM 0 HA LEU B 37 33.860 -21.627 -10.067 1.00 13.33 H new ATOM 0 HB2 LEU B 37 33.234 -19.962 -8.487 1.00 42.54 H new ATOM 0 HB3 LEU B 37 32.355 -21.110 -7.497 1.00 42.54 H new ATOM 0 HG LEU B 37 35.275 -21.594 -7.807 1.00 54.52 H new ATOM 0 HD11 LEU B 37 35.824 -19.942 -6.064 1.00 30.11 H new ATOM 0 HD12 LEU B 37 35.214 -19.164 -7.543 1.00 30.11 H new ATOM 0 HD13 LEU B 37 34.154 -19.331 -6.123 1.00 30.11 H new ATOM 0 HD21 LEU B 37 35.046 -22.194 -5.424 1.00 43.10 H new ATOM 0 HD22 LEU B 37 33.346 -21.671 -5.461 1.00 43.10 H new ATOM 0 HD23 LEU B 37 33.870 -23.063 -6.438 1.00 43.10 H new ATOM 1210 N VAL B 38 32.578 -24.002 -8.162 1.00 74.15 N ATOM 1211 CA VAL B 38 32.792 -25.364 -7.685 1.00 2.23 C ATOM 1212 C VAL B 38 33.042 -26.319 -8.846 1.00 45.44 C ATOM 1213 O VAL B 38 33.931 -27.169 -8.784 1.00 14.02 O ATOM 1214 CB VAL B 38 31.586 -25.869 -6.870 1.00 11.23 C ATOM 1215 CG1 VAL B 38 31.812 -27.302 -6.415 1.00 20.41 C ATOM 1216 CG2 VAL B 38 31.330 -24.958 -5.680 1.00 31.42 C ATOM 0 H VAL B 38 31.672 -23.605 -7.913 1.00 74.15 H new ATOM 0 HA VAL B 38 33.672 -25.340 -7.042 1.00 2.23 H new ATOM 0 HB VAL B 38 30.704 -25.851 -7.510 1.00 11.23 H new ATOM 0 HG11 VAL B 38 30.950 -27.642 -5.841 1.00 20.41 H new ATOM 0 HG12 VAL B 38 31.944 -27.944 -7.286 1.00 20.41 H new ATOM 0 HG13 VAL B 38 32.705 -27.349 -5.791 1.00 20.41 H new ATOM 0 HG21 VAL B 38 30.475 -25.329 -5.115 1.00 31.42 H new ATOM 0 HG22 VAL B 38 32.210 -24.943 -5.037 1.00 31.42 H new ATOM 0 HG23 VAL B 38 31.121 -23.948 -6.033 1.00 31.42 H new ATOM 1226 N MET B 39 32.252 -26.175 -9.905 1.00 64.54 N ATOM 1227 CA MET B 39 32.390 -27.025 -11.082 1.00 75.40 C ATOM 1228 C MET B 39 33.738 -26.802 -11.759 1.00 62.05 C ATOM 1229 O MET B 39 34.413 -27.756 -12.151 1.00 45.22 O ATOM 1230 CB MET B 39 31.257 -26.749 -12.073 1.00 30.12 C ATOM 1231 CG MET B 39 30.097 -27.723 -11.957 1.00 4.42 C ATOM 1232 SD MET B 39 29.895 -28.744 -13.429 1.00 62.03 S ATOM 1233 CE MET B 39 28.981 -27.629 -14.491 1.00 5.11 C ATOM 0 H MET B 39 31.510 -25.478 -9.972 1.00 64.54 H new ATOM 0 HA MET B 39 32.334 -28.064 -10.757 1.00 75.40 H new ATOM 0 HB2 MET B 39 30.887 -25.736 -11.916 1.00 30.12 H new ATOM 0 HB3 MET B 39 31.655 -26.790 -13.087 1.00 30.12 H new ATOM 0 HG2 MET B 39 30.254 -28.367 -11.092 1.00 4.42 H new ATOM 0 HG3 MET B 39 29.177 -27.166 -11.777 1.00 4.42 H new ATOM 0 HE1 MET B 39 28.779 -28.118 -15.444 1.00 5.11 H new ATOM 0 HE2 MET B 39 28.038 -27.362 -14.013 1.00 5.11 H new ATOM 0 HE3 MET B 39 29.569 -26.727 -14.663 1.00 5.11 H new