USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 858 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 27 THR OG1 : rot 150:sc= 0 USER MOD Set 1.2: B 5 GLN : amide:sc= -2.47! C(o=-2.5!,f=-5.7!) USER MOD Set 2.1: A 5 GLN :FLIP amide:sc= -5.19 F(o=-6.6!,f=-5.4) USER MOD Set 2.2: B 27 THR OG1 : rot 155:sc= -0.214 USER MOD Single : A 3 ASN :FLIP amide:sc= -0.856 F(o=-4.4!,f=-0.86) USER MOD Single : A 8 SER OG : rot 41:sc= 0.28 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.414 K(o=-0.41,f=-3.2!) USER MOD Single : A 17 SER OG : rot -84:sc= 1.1 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -1.51 F(o=-2,f=-1.5) USER MOD Single : A 33 SER OG : rot 180:sc= -0.418 USER MOD Single : A 35 LYS NZ :NH3+ 132:sc= 0.0839 (180deg=-1.93!) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.845 (180deg=-1.7!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.9 USER MOD Single : B 3 ASN :FLIP amide:sc= -1.25! C(o=-5.1!,f=-1.3!) USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.255 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 178:sc= -3.33! (180deg=-3.35!) USER MOD Single : B 16 GLN : amide:sc= -0.484 K(o=-0.48,f=-1.2) USER MOD Single : B 17 SER OG : rot 180:sc=-0.00883 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 TYR OH : rot 30:sc= -0.455 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 -10.436 8.882 -8.844 1.00 0.00 N ATOM 33 CA ASN A 3 -9.227 8.787 -7.973 1.00 0.00 C ATOM 34 C ASN A 3 -9.434 7.685 -6.938 1.00 0.00 C ATOM 35 O ASN A 3 -8.617 7.481 -6.063 1.00 0.00 O ATOM 36 CB ASN A 3 -9.033 10.121 -7.256 1.00 0.00 C ATOM 37 CG ASN A 3 -10.369 10.583 -6.692 1.00 0.00 C ATOM 38 OD1 ASN A 3 -10.632 10.349 -5.442 1.00 0.00 O flip ATOM 39 ND2 ASN A 3 -11.179 11.156 -7.394 1.00 0.00 N flip ATOM 0 HA ASN A 3 -8.350 8.556 -8.578 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.303 10.014 -6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.639 10.866 -7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.966 11.337 -8.375 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -12.072 11.456 -7.002 1.00 0.00 H new ATOM 46 N ARG A 4 -10.519 6.971 -7.030 1.00 0.00 N ATOM 47 CA ARG A 4 -10.773 5.885 -6.049 1.00 0.00 C ATOM 48 C ARG A 4 -9.774 4.760 -6.288 1.00 0.00 C ATOM 49 O ARG A 4 -9.417 4.462 -7.409 1.00 0.00 O ATOM 50 CB ARG A 4 -12.205 5.370 -6.233 1.00 0.00 C ATOM 51 CG ARG A 4 -13.212 6.494 -5.930 1.00 0.00 C ATOM 52 CD ARG A 4 -13.442 6.624 -4.415 1.00 0.00 C ATOM 53 NE ARG A 4 -14.302 5.496 -3.939 1.00 0.00 N ATOM 54 CZ ARG A 4 -15.602 5.636 -3.842 1.00 0.00 C ATOM 55 NH1 ARG A 4 -16.173 6.777 -4.133 1.00 0.00 N ATOM 56 NH2 ARG A 4 -16.335 4.631 -3.450 1.00 0.00 N ATOM 0 H ARG A 4 -11.240 7.093 -7.742 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.656 6.258 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.343 5.012 -7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.383 4.523 -5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.841 7.438 -6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -14.158 6.286 -6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.487 6.613 -3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.919 7.578 -4.190 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.871 4.606 -3.687 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.606 7.568 -4.439 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -17.185 6.875 -4.054 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.897 3.739 -3.220 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -17.347 4.737 -3.374 1.00 0.00 H new ATOM 70 N GLN A 5 -9.301 4.136 -5.240 1.00 0.00 N ATOM 71 CA GLN A 5 -8.305 3.041 -5.412 1.00 0.00 C ATOM 72 C GLN A 5 -8.522 1.975 -4.339 1.00 0.00 C ATOM 73 O GLN A 5 -8.978 2.261 -3.251 1.00 0.00 O ATOM 74 CB GLN A 5 -6.902 3.630 -5.280 1.00 0.00 C ATOM 75 CG GLN A 5 -5.863 2.547 -5.534 1.00 0.00 C ATOM 76 CD GLN A 5 -4.475 3.181 -5.515 1.00 0.00 C ATOM 77 OE1 GLN A 5 -3.754 3.162 -6.600 1.00 0.00 O flip ATOM 78 NE2 GLN A 5 -4.046 3.705 -4.506 1.00 0.00 N flip ATOM 0 H GLN A 5 -9.562 4.338 -4.275 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.422 2.582 -6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.772 4.446 -5.991 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.766 4.051 -4.284 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.933 1.771 -4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.045 2.067 -6.496 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.613 3.719 -3.658 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.119 4.131 -4.507 1.00 0.00 H new ATOM 87 N PHE A 6 -8.204 0.747 -4.645 1.00 0.00 N ATOM 88 CA PHE A 6 -8.391 -0.360 -3.659 1.00 0.00 C ATOM 89 C PHE A 6 -7.042 -0.732 -3.058 1.00 0.00 C ATOM 90 O PHE A 6 -6.031 -0.701 -3.725 1.00 0.00 O ATOM 91 CB PHE A 6 -8.953 -1.572 -4.391 1.00 0.00 C ATOM 92 CG PHE A 6 -10.256 -1.191 -5.036 1.00 0.00 C ATOM 93 CD1 PHE A 6 -10.249 -0.574 -6.292 1.00 0.00 C ATOM 94 CD2 PHE A 6 -11.464 -1.451 -4.386 1.00 0.00 C ATOM 95 CE1 PHE A 6 -11.455 -0.216 -6.898 1.00 0.00 C ATOM 96 CE2 PHE A 6 -12.673 -1.094 -4.993 1.00 0.00 C ATOM 97 CZ PHE A 6 -12.669 -0.476 -6.251 1.00 0.00 C ATOM 0 H PHE A 6 -7.819 0.459 -5.544 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.071 -0.043 -2.869 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.246 -1.918 -5.145 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.104 -2.396 -3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -9.312 -0.375 -6.792 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -11.465 -1.927 -3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -11.451 0.262 -7.867 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -13.609 -1.295 -4.492 1.00 0.00 H new ATOM 0 HZ PHE A 6 -13.602 -0.201 -6.721 1.00 0.00 H new ATOM 107 N LEU A 7 -7.019 -1.102 -1.805 1.00 0.00 N ATOM 108 CA LEU A 7 -5.733 -1.501 -1.158 1.00 0.00 C ATOM 109 C LEU A 7 -6.024 -2.687 -0.248 1.00 0.00 C ATOM 110 O LEU A 7 -6.877 -2.620 0.610 1.00 0.00 O ATOM 111 CB LEU A 7 -5.191 -0.327 -0.330 1.00 0.00 C ATOM 112 CG LEU A 7 -3.724 -0.576 0.076 1.00 0.00 C ATOM 113 CD1 LEU A 7 -3.085 0.758 0.480 1.00 0.00 C ATOM 114 CD2 LEU A 7 -3.641 -1.567 1.254 1.00 0.00 C ATOM 0 H LEU A 7 -7.838 -1.145 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.989 -1.770 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.262 0.595 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.802 -0.192 0.562 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.191 -1.007 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.047 0.592 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.121 1.449 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.632 1.183 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.597 -1.727 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.177 -1.159 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.090 -2.517 0.963 1.00 0.00 H new ATOM 126 N SER A 8 -5.333 -3.784 -0.436 1.00 0.00 N ATOM 127 CA SER A 8 -5.578 -4.992 0.414 1.00 0.00 C ATOM 128 C SER A 8 -4.246 -5.478 0.969 1.00 0.00 C ATOM 129 O SER A 8 -3.261 -5.550 0.262 1.00 0.00 O ATOM 130 CB SER A 8 -6.203 -6.096 -0.439 1.00 0.00 C ATOM 131 OG SER A 8 -6.375 -7.259 0.360 1.00 0.00 O ATOM 0 H SER A 8 -4.607 -3.896 -1.144 1.00 0.00 H new ATOM 0 HA SER A 8 -6.254 -4.740 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.163 -5.767 -0.836 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.564 -6.318 -1.294 1.00 0.00 H new ATOM 0 HG SER A 8 -6.694 -7.000 1.250 1.00 0.00 H new ATOM 137 N LEU A 9 -4.195 -5.807 2.231 1.00 0.00 N ATOM 138 CA LEU A 9 -2.908 -6.284 2.823 1.00 0.00 C ATOM 139 C LEU A 9 -3.203 -7.326 3.904 1.00 0.00 C ATOM 140 O LEU A 9 -4.268 -7.341 4.493 1.00 0.00 O ATOM 141 CB LEU A 9 -2.160 -5.093 3.445 1.00 0.00 C ATOM 142 CG LEU A 9 -0.669 -5.448 3.646 1.00 0.00 C ATOM 143 CD1 LEU A 9 0.125 -5.160 2.361 1.00 0.00 C ATOM 144 CD2 LEU A 9 -0.085 -4.609 4.790 1.00 0.00 C ATOM 0 H LEU A 9 -4.983 -5.767 2.877 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.291 -6.733 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.250 -4.220 2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.611 -4.830 4.402 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.595 -6.508 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.173 -5.414 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.276 -5.759 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.042 -4.102 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.966 -4.863 4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.174 -3.550 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.632 -4.817 5.710 1.00 0.00 H new ATOM 156 N THR A 10 -2.271 -8.205 4.165 1.00 0.00 N ATOM 157 CA THR A 10 -2.492 -9.251 5.212 1.00 0.00 C ATOM 158 C THR A 10 -1.174 -9.520 5.949 1.00 0.00 C ATOM 159 O THR A 10 -0.113 -9.144 5.495 1.00 0.00 O ATOM 160 CB THR A 10 -2.981 -10.541 4.552 1.00 0.00 C ATOM 161 OG1 THR A 10 -3.013 -11.578 5.523 1.00 0.00 O ATOM 162 CG2 THR A 10 -2.035 -10.929 3.418 1.00 0.00 C ATOM 0 H THR A 10 -1.365 -8.245 3.699 1.00 0.00 H new ATOM 0 HA THR A 10 -3.242 -8.902 5.922 1.00 0.00 H new ATOM 0 HB THR A 10 -3.981 -10.388 4.146 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.327 -12.407 5.106 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.386 -11.849 2.950 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.010 -10.131 2.676 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.033 -11.085 3.817 1.00 0.00 H new ATOM 170 N GLY A 11 -1.235 -10.160 7.089 1.00 0.00 N ATOM 171 CA GLY A 11 0.013 -10.446 7.860 1.00 0.00 C ATOM 172 C GLY A 11 0.313 -9.293 8.819 1.00 0.00 C ATOM 173 O GLY A 11 1.424 -9.143 9.287 1.00 0.00 O ATOM 0 H GLY A 11 -2.096 -10.497 7.520 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.100 -11.375 8.419 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.849 -10.587 7.175 1.00 0.00 H new ATOM 177 N VAL A 12 -0.660 -8.476 9.110 1.00 0.00 N ATOM 178 CA VAL A 12 -0.424 -7.327 10.032 1.00 0.00 C ATOM 179 C VAL A 12 -0.115 -7.835 11.443 1.00 0.00 C ATOM 180 O VAL A 12 -0.741 -8.752 11.935 1.00 0.00 O ATOM 181 CB VAL A 12 -1.672 -6.441 10.063 1.00 0.00 C ATOM 182 CG1 VAL A 12 -1.518 -5.368 11.144 1.00 0.00 C ATOM 183 CG2 VAL A 12 -1.837 -5.767 8.702 1.00 0.00 C ATOM 0 H VAL A 12 -1.611 -8.553 8.749 1.00 0.00 H new ATOM 0 HA VAL A 12 0.428 -6.749 9.674 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.547 -7.051 10.285 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.409 -4.740 11.162 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.391 -5.846 12.115 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.645 -4.753 10.925 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.724 -5.134 8.715 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.959 -5.157 8.489 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.946 -6.528 7.930 1.00 0.00 H new ATOM 193 N SER A 13 0.849 -7.239 12.093 1.00 0.00 N ATOM 194 CA SER A 13 1.209 -7.675 13.472 1.00 0.00 C ATOM 195 C SER A 13 0.121 -7.243 14.456 1.00 0.00 C ATOM 196 O SER A 13 -0.269 -8.000 15.322 1.00 0.00 O ATOM 197 CB SER A 13 2.536 -7.028 13.870 1.00 0.00 C ATOM 198 OG SER A 13 3.537 -7.396 12.932 1.00 0.00 O ATOM 0 H SER A 13 1.404 -6.466 11.726 1.00 0.00 H new ATOM 0 HA SER A 13 1.302 -8.761 13.495 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.431 -5.944 13.900 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.824 -7.348 14.871 1.00 0.00 H new ATOM 0 HG SER A 13 4.389 -6.982 13.183 1.00 0.00 H new ATOM 204 N LYS A 14 -0.380 -6.041 14.340 1.00 0.00 N ATOM 205 CA LYS A 14 -1.449 -5.602 15.289 1.00 0.00 C ATOM 206 C LYS A 14 -2.077 -4.292 14.813 1.00 0.00 C ATOM 207 O LYS A 14 -1.513 -3.570 14.014 1.00 0.00 O ATOM 208 CB LYS A 14 -0.854 -5.413 16.691 1.00 0.00 C ATOM 209 CG LYS A 14 0.080 -4.176 16.725 1.00 0.00 C ATOM 210 CD LYS A 14 -0.631 -2.972 17.374 1.00 0.00 C ATOM 211 CE LYS A 14 -0.578 -3.087 18.904 1.00 0.00 C ATOM 212 NZ LYS A 14 -1.195 -1.873 19.513 1.00 0.00 N ATOM 0 H LYS A 14 -0.102 -5.352 13.641 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.222 -6.369 15.325 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.656 -5.290 17.419 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.297 -6.304 16.979 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.986 -4.414 17.283 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.388 -3.919 15.712 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.156 -2.044 17.055 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.668 -2.930 17.041 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.108 -3.981 19.231 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.455 -3.189 19.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.160 -1.949 20.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.670 -1.028 19.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.185 -1.795 19.205 1.00 0.00 H new ATOM 226 N VAL A 15 -3.253 -3.988 15.297 1.00 0.00 N ATOM 227 CA VAL A 15 -3.947 -2.734 14.877 1.00 0.00 C ATOM 228 C VAL A 15 -3.626 -1.601 15.851 1.00 0.00 C ATOM 229 O VAL A 15 -3.764 -1.740 17.049 1.00 0.00 O ATOM 230 CB VAL A 15 -5.456 -2.985 14.873 1.00 0.00 C ATOM 231 CG1 VAL A 15 -6.203 -1.677 14.600 1.00 0.00 C ATOM 232 CG2 VAL A 15 -5.794 -4.006 13.787 1.00 0.00 C ATOM 0 H VAL A 15 -3.766 -4.558 15.970 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.608 -2.449 13.881 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.761 -3.370 15.846 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.277 -1.865 14.599 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.962 -0.951 15.377 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.903 -1.282 13.629 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.869 -4.188 13.781 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.486 -3.620 12.816 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.269 -4.940 13.989 1.00 0.00 H new ATOM 242 N GLN A 16 -3.206 -0.473 15.339 1.00 0.00 N ATOM 243 CA GLN A 16 -2.879 0.691 16.219 1.00 0.00 C ATOM 244 C GLN A 16 -4.055 1.669 16.206 1.00 0.00 C ATOM 245 O GLN A 16 -4.366 2.290 17.202 1.00 0.00 O ATOM 246 CB GLN A 16 -1.627 1.384 15.679 1.00 0.00 C ATOM 247 CG GLN A 16 -1.209 2.511 16.625 1.00 0.00 C ATOM 248 CD GLN A 16 0.036 3.197 16.067 1.00 0.00 C ATOM 249 OE1 GLN A 16 0.003 3.757 14.988 1.00 0.00 O ATOM 250 NE2 GLN A 16 1.145 3.170 16.754 1.00 0.00 N ATOM 0 H GLN A 16 -3.074 -0.306 14.341 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.698 0.354 17.239 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.816 0.663 15.578 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.823 1.785 14.685 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.019 3.232 16.732 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.005 2.112 17.618 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.173 2.700 17.659 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.984 3.619 16.386 1.00 0.00 H new ATOM 259 N SER A 17 -4.711 1.809 15.086 1.00 0.00 N ATOM 260 CA SER A 17 -5.867 2.745 15.010 1.00 0.00 C ATOM 261 C SER A 17 -6.559 2.594 13.657 1.00 0.00 C ATOM 262 O SER A 17 -5.922 2.378 12.646 1.00 0.00 O ATOM 263 CB SER A 17 -5.377 4.184 15.161 1.00 0.00 C ATOM 264 OG SER A 17 -6.482 5.070 15.040 1.00 0.00 O ATOM 0 H SER A 17 -4.495 1.315 14.220 1.00 0.00 H new ATOM 0 HA SER A 17 -6.568 2.511 15.811 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.894 4.316 16.129 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.631 4.408 14.399 1.00 0.00 H new ATOM 0 HG SER A 17 -6.652 5.253 14.092 1.00 0.00 H new ATOM 270 N PHE A 18 -7.863 2.719 13.630 1.00 0.00 N ATOM 271 CA PHE A 18 -8.623 2.601 12.344 1.00 0.00 C ATOM 272 C PHE A 18 -9.562 3.807 12.210 1.00 0.00 C ATOM 273 O PHE A 18 -10.562 3.903 12.893 1.00 0.00 O ATOM 274 CB PHE A 18 -9.441 1.298 12.356 1.00 0.00 C ATOM 275 CG PHE A 18 -10.523 1.352 11.296 1.00 0.00 C ATOM 276 CD1 PHE A 18 -10.201 1.172 9.945 1.00 0.00 C ATOM 277 CD2 PHE A 18 -11.849 1.603 11.672 1.00 0.00 C ATOM 278 CE1 PHE A 18 -11.209 1.240 8.973 1.00 0.00 C ATOM 279 CE2 PHE A 18 -12.855 1.668 10.701 1.00 0.00 C ATOM 280 CZ PHE A 18 -12.534 1.488 9.351 1.00 0.00 C ATOM 0 H PHE A 18 -8.440 2.900 14.451 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.933 2.582 11.500 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.785 0.446 12.174 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.890 1.151 13.338 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.179 0.981 9.653 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.096 1.747 12.714 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -10.963 1.101 7.931 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.877 1.857 10.993 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.309 1.540 8.600 1.00 0.00 H new ATOM 290 N ASP A 19 -9.251 4.718 11.323 1.00 0.00 N ATOM 291 CA ASP A 19 -10.119 5.919 11.114 1.00 0.00 C ATOM 292 C ASP A 19 -10.316 6.110 9.601 1.00 0.00 C ATOM 293 O ASP A 19 -9.446 5.776 8.821 1.00 0.00 O ATOM 294 CB ASP A 19 -9.429 7.150 11.708 1.00 0.00 C ATOM 295 CG ASP A 19 -8.961 6.833 13.131 1.00 0.00 C ATOM 296 OD1 ASP A 19 -7.928 6.200 13.268 1.00 0.00 O ATOM 297 OD2 ASP A 19 -9.644 7.232 14.062 1.00 0.00 O ATOM 0 H ASP A 19 -8.424 4.681 10.728 1.00 0.00 H new ATOM 0 HA ASP A 19 -11.084 5.785 11.602 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.579 7.438 11.089 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.116 7.996 11.719 1.00 0.00 H new ATOM 302 N PRO A 20 -11.441 6.637 9.174 1.00 0.00 N ATOM 303 CA PRO A 20 -11.705 6.859 7.723 1.00 0.00 C ATOM 304 C PRO A 20 -10.829 7.979 7.150 1.00 0.00 C ATOM 305 O PRO A 20 -10.752 8.164 5.951 1.00 0.00 O ATOM 306 CB PRO A 20 -13.195 7.238 7.669 1.00 0.00 C ATOM 307 CG PRO A 20 -13.511 7.787 9.026 1.00 0.00 C ATOM 308 CD PRO A 20 -12.575 7.076 10.011 1.00 0.00 C ATOM 0 HA PRO A 20 -11.471 5.979 7.124 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.385 7.978 6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.814 6.370 7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.357 8.866 9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.555 7.607 9.284 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.248 7.747 10.806 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -13.068 6.230 10.490 1.00 0.00 H new ATOM 316 N LYS A 21 -10.172 8.730 7.999 1.00 0.00 N ATOM 317 CA LYS A 21 -9.295 9.847 7.520 1.00 0.00 C ATOM 318 C LYS A 21 -7.821 9.489 7.733 1.00 0.00 C ATOM 319 O LYS A 21 -6.935 10.209 7.318 1.00 0.00 O ATOM 320 CB LYS A 21 -9.645 11.112 8.302 1.00 0.00 C ATOM 321 CG LYS A 21 -9.307 10.917 9.784 1.00 0.00 C ATOM 322 CD LYS A 21 -9.839 12.100 10.599 1.00 0.00 C ATOM 323 CE LYS A 21 -9.088 13.380 10.222 1.00 0.00 C ATOM 324 NZ LYS A 21 -9.310 14.410 11.275 1.00 0.00 N ATOM 0 H LYS A 21 -10.205 8.617 9.012 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.457 10.013 6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.092 11.962 7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.705 11.339 8.188 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.745 9.987 10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.228 10.832 9.912 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.906 12.228 10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.721 11.900 11.664 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.023 13.173 10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.436 13.749 9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.801 15.281 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.327 14.614 11.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.957 14.056 12.187 1.00 0.00 H new ATOM 338 N GLU A 22 -7.545 8.382 8.371 1.00 0.00 N ATOM 339 CA GLU A 22 -6.126 7.982 8.598 1.00 0.00 C ATOM 340 C GLU A 22 -6.096 6.567 9.182 1.00 0.00 C ATOM 341 O GLU A 22 -6.748 6.286 10.164 1.00 0.00 O ATOM 342 CB GLU A 22 -5.469 8.960 9.580 1.00 0.00 C ATOM 343 CG GLU A 22 -3.962 8.699 9.642 1.00 0.00 C ATOM 344 CD GLU A 22 -3.280 9.841 10.404 1.00 0.00 C ATOM 345 OE1 GLU A 22 -3.413 9.883 11.616 1.00 0.00 O ATOM 346 OE2 GLU A 22 -2.640 10.656 9.759 1.00 0.00 O ATOM 0 H GLU A 22 -8.242 7.738 8.745 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.580 8.002 7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.657 9.987 9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.908 8.845 10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.766 7.748 10.138 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.553 8.624 8.635 1.00 0.00 H new ATOM 353 N ILE A 23 -5.343 5.673 8.586 1.00 0.00 N ATOM 354 CA ILE A 23 -5.264 4.266 9.108 1.00 0.00 C ATOM 355 C ILE A 23 -3.831 3.964 9.542 1.00 0.00 C ATOM 356 O ILE A 23 -2.896 4.139 8.787 1.00 0.00 O ATOM 357 CB ILE A 23 -5.675 3.289 8.000 1.00 0.00 C ATOM 358 CG1 ILE A 23 -7.162 3.486 7.685 1.00 0.00 C ATOM 359 CG2 ILE A 23 -5.423 1.850 8.461 1.00 0.00 C ATOM 360 CD1 ILE A 23 -7.538 2.688 6.435 1.00 0.00 C ATOM 0 H ILE A 23 -4.777 5.856 7.757 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.934 4.156 9.961 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.086 3.479 7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.768 3.161 8.531 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.373 4.544 7.529 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.716 1.158 7.671 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.364 1.719 8.683 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.009 1.647 9.357 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.596 2.832 6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.942 3.033 5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.344 1.629 6.607 1.00 0.00 H new ATOM 372 N LEU A 24 -3.653 3.508 10.758 1.00 0.00 N ATOM 373 CA LEU A 24 -2.283 3.187 11.270 1.00 0.00 C ATOM 374 C LEU A 24 -2.223 1.700 11.622 1.00 0.00 C ATOM 375 O LEU A 24 -2.842 1.258 12.568 1.00 0.00 O ATOM 376 CB LEU A 24 -2.023 4.013 12.532 1.00 0.00 C ATOM 377 CG LEU A 24 -2.292 5.494 12.242 1.00 0.00 C ATOM 378 CD1 LEU A 24 -2.040 6.320 13.507 1.00 0.00 C ATOM 379 CD2 LEU A 24 -1.373 5.981 11.117 1.00 0.00 C ATOM 0 H LEU A 24 -4.407 3.343 11.425 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.534 3.419 10.513 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.665 3.668 13.343 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.993 3.878 12.861 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.330 5.614 11.932 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.232 7.373 13.298 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.704 5.981 14.302 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.004 6.196 13.822 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.570 7.034 10.917 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.333 5.857 11.418 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.562 5.399 10.215 1.00 0.00 H new ATOM 391 N LEU A 25 -1.482 0.921 10.869 1.00 0.00 N ATOM 392 CA LEU A 25 -1.383 -0.548 11.160 1.00 0.00 C ATOM 393 C LEU A 25 0.085 -0.952 11.197 1.00 0.00 C ATOM 394 O LEU A 25 0.852 -0.600 10.323 1.00 0.00 O ATOM 395 CB LEU A 25 -2.105 -1.328 10.058 1.00 0.00 C ATOM 396 CG LEU A 25 -3.597 -0.974 10.060 1.00 0.00 C ATOM 397 CD1 LEU A 25 -4.265 -1.613 8.842 1.00 0.00 C ATOM 398 CD2 LEU A 25 -4.268 -1.498 11.340 1.00 0.00 C ATOM 0 H LEU A 25 -0.941 1.238 10.065 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.844 -0.769 12.123 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.668 -1.093 9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.976 -2.399 10.214 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.706 0.110 10.022 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.326 -1.365 8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.800 -1.235 7.932 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.145 -2.695 8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.327 -1.239 11.328 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.160 -2.581 11.390 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.794 -1.045 12.211 1.00 0.00 H new ATOM 410 N GLU A 26 0.492 -1.687 12.203 1.00 0.00 N ATOM 411 CA GLU A 26 1.924 -2.105 12.288 1.00 0.00 C ATOM 412 C GLU A 26 2.099 -3.476 11.666 1.00 0.00 C ATOM 413 O GLU A 26 1.595 -4.469 12.155 1.00 0.00 O ATOM 414 CB GLU A 26 2.380 -2.097 13.748 1.00 0.00 C ATOM 415 CG GLU A 26 3.887 -2.378 13.828 1.00 0.00 C ATOM 416 CD GLU A 26 4.424 -1.901 15.184 1.00 0.00 C ATOM 417 OE1 GLU A 26 3.627 -1.750 16.093 1.00 0.00 O ATOM 418 OE2 GLU A 26 5.620 -1.673 15.278 1.00 0.00 O ATOM 0 H GLU A 26 -0.103 -2.014 12.965 1.00 0.00 H new ATOM 0 HA GLU A 26 2.544 -1.400 11.734 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.157 -1.132 14.202 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.831 -2.850 14.313 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.076 -3.444 13.704 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.407 -1.866 13.018 1.00 0.00 H new ATOM 425 N THR A 27 2.819 -3.523 10.567 1.00 0.00 N ATOM 426 CA THR A 27 3.060 -4.815 9.862 1.00 0.00 C ATOM 427 C THR A 27 4.567 -5.043 9.707 1.00 0.00 C ATOM 428 O THR A 27 5.347 -4.114 9.541 1.00 0.00 O ATOM 429 CB THR A 27 2.412 -4.764 8.472 1.00 0.00 C ATOM 430 OG1 THR A 27 2.745 -5.945 7.756 1.00 0.00 O ATOM 431 CG2 THR A 27 2.922 -3.542 7.703 1.00 0.00 C ATOM 0 H THR A 27 3.252 -2.710 10.128 1.00 0.00 H new ATOM 0 HA THR A 27 2.626 -5.630 10.442 1.00 0.00 H new ATOM 0 HB THR A 27 1.330 -4.691 8.582 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.021 -6.165 7.134 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.458 -3.513 6.717 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.668 -2.635 8.251 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.004 -3.607 7.592 1.00 0.00 H new ATOM 439 N ILE A 28 4.951 -6.297 9.741 1.00 0.00 N ATOM 440 CA ILE A 28 6.380 -6.726 9.591 1.00 0.00 C ATOM 441 C ILE A 28 7.362 -5.593 9.908 1.00 0.00 C ATOM 442 O ILE A 28 7.721 -5.365 11.047 1.00 0.00 O ATOM 443 CB ILE A 28 6.601 -7.209 8.155 1.00 0.00 C ATOM 444 CG1 ILE A 28 5.580 -8.308 7.808 1.00 0.00 C ATOM 445 CG2 ILE A 28 8.019 -7.781 8.025 1.00 0.00 C ATOM 446 CD1 ILE A 28 5.488 -8.439 6.286 1.00 0.00 C ATOM 0 H ILE A 28 4.303 -7.074 9.872 1.00 0.00 H new ATOM 0 HA ILE A 28 6.570 -7.528 10.304 1.00 0.00 H new ATOM 0 HB ILE A 28 6.474 -6.369 7.471 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.883 -9.257 8.250 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.604 -8.060 8.224 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.180 -8.126 7.004 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.747 -7.006 8.265 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.138 -8.618 8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.767 -9.215 6.031 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.166 -7.490 5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 28 6.466 -8.705 5.884 1.00 0.00 H new ATOM 458 N GLN A 29 7.821 -4.908 8.900 1.00 0.00 N ATOM 459 CA GLN A 29 8.808 -3.816 9.097 1.00 0.00 C ATOM 460 C GLN A 29 8.402 -2.892 10.240 1.00 0.00 C ATOM 461 O GLN A 29 9.009 -2.892 11.291 1.00 0.00 O ATOM 462 CB GLN A 29 8.915 -2.982 7.820 1.00 0.00 C ATOM 463 CG GLN A 29 9.086 -3.894 6.607 1.00 0.00 C ATOM 464 CD GLN A 29 10.310 -4.783 6.808 1.00 0.00 C ATOM 465 OE1 GLN A 29 10.223 -6.057 6.556 1.00 0.00 O flip ATOM 466 NE2 GLN A 29 11.358 -4.309 7.202 1.00 0.00 N flip ATOM 0 H GLN A 29 7.547 -5.063 7.930 1.00 0.00 H new ATOM 0 HA GLN A 29 9.765 -4.278 9.340 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.021 -2.370 7.701 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.761 -2.299 7.893 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.196 -4.508 6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.202 -3.297 5.703 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.424 -3.310 7.399 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.171 -4.910 7.336 1.00 0.00 H new ATOM 475 N GLY A 30 7.413 -2.066 10.029 1.00 0.00 N ATOM 476 CA GLY A 30 7.019 -1.097 11.099 1.00 0.00 C ATOM 477 C GLY A 30 5.587 -0.600 10.904 1.00 0.00 C ATOM 478 O GLY A 30 4.706 -1.336 10.504 1.00 0.00 O ATOM 0 H GLY A 30 6.863 -2.018 9.171 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.110 -1.574 12.075 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.704 -0.249 11.094 1.00 0.00 H new ATOM 482 N VAL A 31 5.350 0.649 11.215 1.00 0.00 N ATOM 483 CA VAL A 31 3.980 1.221 11.088 1.00 0.00 C ATOM 484 C VAL A 31 3.749 1.804 9.704 1.00 0.00 C ATOM 485 O VAL A 31 4.568 2.523 9.178 1.00 0.00 O ATOM 486 CB VAL A 31 3.793 2.320 12.130 1.00 0.00 C ATOM 487 CG1 VAL A 31 2.318 2.726 12.165 1.00 0.00 C ATOM 488 CG2 VAL A 31 4.214 1.788 13.500 1.00 0.00 C ATOM 0 H VAL A 31 6.056 1.302 11.555 1.00 0.00 H new ATOM 0 HA VAL A 31 3.261 0.418 11.247 1.00 0.00 H new ATOM 0 HB VAL A 31 4.404 3.186 11.875 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.174 3.511 12.907 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.019 3.095 11.184 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.709 1.862 12.429 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.083 2.569 14.249 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.598 0.927 13.761 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.262 1.488 13.468 1.00 0.00 H new ATOM 498 N LEU A 32 2.611 1.514 9.125 1.00 0.00 N ATOM 499 CA LEU A 32 2.266 2.069 7.779 1.00 0.00 C ATOM 500 C LEU A 32 1.098 3.031 7.966 1.00 0.00 C ATOM 501 O LEU A 32 0.044 2.656 8.444 1.00 0.00 O ATOM 502 CB LEU A 32 1.861 0.933 6.828 1.00 0.00 C ATOM 503 CG LEU A 32 1.342 1.503 5.495 1.00 0.00 C ATOM 504 CD1 LEU A 32 2.412 2.380 4.835 1.00 0.00 C ATOM 505 CD2 LEU A 32 0.989 0.340 4.564 1.00 0.00 C ATOM 0 H LEU A 32 1.898 0.909 9.532 1.00 0.00 H new ATOM 0 HA LEU A 32 3.124 2.584 7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.716 0.283 6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.089 0.320 7.293 1.00 0.00 H new ATOM 0 HG LEU A 32 0.460 2.114 5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.029 2.775 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.665 3.206 5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.303 1.783 4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.620 0.732 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.878 -0.265 4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.218 -0.276 5.027 1.00 0.00 H new ATOM 517 N SER A 33 1.288 4.274 7.605 1.00 0.00 N ATOM 518 CA SER A 33 0.205 5.291 7.765 1.00 0.00 C ATOM 519 C SER A 33 -0.342 5.665 6.392 1.00 0.00 C ATOM 520 O SER A 33 0.390 6.076 5.516 1.00 0.00 O ATOM 521 CB SER A 33 0.784 6.538 8.434 1.00 0.00 C ATOM 522 OG SER A 33 1.282 6.198 9.720 1.00 0.00 O ATOM 0 H SER A 33 2.155 4.631 7.203 1.00 0.00 H new ATOM 0 HA SER A 33 -0.597 4.881 8.379 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.584 6.954 7.821 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.016 7.307 8.521 1.00 0.00 H new ATOM 0 HG SER A 33 1.655 6.997 10.148 1.00 0.00 H new ATOM 528 N ILE A 34 -1.629 5.529 6.204 1.00 0.00 N ATOM 529 CA ILE A 34 -2.255 5.879 4.892 1.00 0.00 C ATOM 530 C ILE A 34 -3.149 7.102 5.092 1.00 0.00 C ATOM 531 O ILE A 34 -3.948 7.144 6.006 1.00 0.00 O ATOM 532 CB ILE A 34 -3.098 4.700 4.414 1.00 0.00 C ATOM 533 CG1 ILE A 34 -2.181 3.495 4.191 1.00 0.00 C ATOM 534 CG2 ILE A 34 -3.799 5.065 3.101 1.00 0.00 C ATOM 535 CD1 ILE A 34 -3.024 2.234 4.005 1.00 0.00 C ATOM 0 H ILE A 34 -2.280 5.187 6.910 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.488 6.099 4.150 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.852 4.457 5.163 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.556 3.659 3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.510 3.374 5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.400 4.221 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.444 5.929 3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.052 5.305 2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.368 1.378 3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.630 2.067 4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.676 2.357 3.140 1.00 0.00 H new ATOM 547 N LYS A 35 -3.007 8.103 4.258 1.00 0.00 N ATOM 548 CA LYS A 35 -3.836 9.344 4.404 1.00 0.00 C ATOM 549 C LYS A 35 -4.710 9.526 3.166 1.00 0.00 C ATOM 550 O LYS A 35 -4.301 9.237 2.059 1.00 0.00 O ATOM 551 CB LYS A 35 -2.902 10.549 4.532 1.00 0.00 C ATOM 552 CG LYS A 35 -2.113 10.445 5.838 1.00 0.00 C ATOM 553 CD LYS A 35 -1.111 11.608 5.944 1.00 0.00 C ATOM 554 CE LYS A 35 -1.811 12.857 6.491 1.00 0.00 C ATOM 555 NZ LYS A 35 -2.390 12.555 7.829 1.00 0.00 N ATOM 0 H LYS A 35 -2.350 8.115 3.478 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.469 9.259 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.219 10.585 3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.479 11.474 4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.796 10.465 6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.583 9.493 5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.285 11.328 6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.684 11.821 4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.101 13.681 6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.597 13.176 5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.131 13.308 8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.426 12.499 7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.018 11.646 8.171 1.00 0.00 H new ATOM 569 N GLY A 36 -5.909 10.011 3.337 1.00 0.00 N ATOM 570 CA GLY A 36 -6.795 10.213 2.158 1.00 0.00 C ATOM 571 C GLY A 36 -8.230 10.448 2.630 1.00 0.00 C ATOM 572 O GLY A 36 -8.456 11.009 3.683 1.00 0.00 O ATOM 0 H GLY A 36 -6.311 10.275 4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.450 11.065 1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.754 9.341 1.506 1.00 0.00 H new ATOM 576 N GLU A 37 -9.204 10.031 1.857 1.00 0.00 N ATOM 577 CA GLU A 37 -10.631 10.233 2.265 1.00 0.00 C ATOM 578 C GLU A 37 -11.427 8.954 1.992 1.00 0.00 C ATOM 579 O GLU A 37 -11.095 8.186 1.116 1.00 0.00 O ATOM 580 CB GLU A 37 -11.234 11.389 1.464 1.00 0.00 C ATOM 581 CG GLU A 37 -10.452 12.674 1.748 1.00 0.00 C ATOM 582 CD GLU A 37 -11.259 13.884 1.267 1.00 0.00 C ATOM 583 OE1 GLU A 37 -12.476 13.790 1.254 1.00 0.00 O ATOM 584 OE2 GLU A 37 -10.650 14.887 0.943 1.00 0.00 O ATOM 0 H GLU A 37 -9.073 9.560 0.962 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.673 10.468 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.204 11.161 0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.282 11.523 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.250 12.760 2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.487 12.644 1.242 1.00 0.00 H new ATOM 591 N LYS A 38 -12.471 8.722 2.747 1.00 0.00 N ATOM 592 CA LYS A 38 -13.293 7.489 2.556 1.00 0.00 C ATOM 593 C LYS A 38 -12.412 6.247 2.669 1.00 0.00 C ATOM 594 O LYS A 38 -12.428 5.387 1.812 1.00 0.00 O ATOM 595 CB LYS A 38 -13.974 7.517 1.189 1.00 0.00 C ATOM 596 CG LYS A 38 -14.996 8.652 1.172 1.00 0.00 C ATOM 597 CD LYS A 38 -15.865 8.555 -0.080 1.00 0.00 C ATOM 598 CE LYS A 38 -15.044 8.893 -1.327 1.00 0.00 C ATOM 599 NZ LYS A 38 -15.966 9.117 -2.477 1.00 0.00 N ATOM 0 H LYS A 38 -12.791 9.339 3.493 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.057 7.455 3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.234 7.663 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.465 6.564 0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.621 8.602 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.484 9.614 1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.275 7.549 -0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.711 9.238 0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.442 9.784 -1.150 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.353 8.081 -1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.428 9.077 -3.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.699 8.379 -2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.415 10.051 -2.385 1.00 0.00 H new ATOM 613 N LEU A 39 -11.656 6.136 3.730 1.00 0.00 N ATOM 614 CA LEU A 39 -10.777 4.943 3.923 1.00 0.00 C ATOM 615 C LEU A 39 -11.543 3.895 4.731 1.00 0.00 C ATOM 616 O LEU A 39 -11.267 3.679 5.894 1.00 0.00 O ATOM 617 CB LEU A 39 -9.519 5.368 4.698 1.00 0.00 C ATOM 618 CG LEU A 39 -8.500 5.989 3.738 1.00 0.00 C ATOM 619 CD1 LEU A 39 -9.173 7.091 2.927 1.00 0.00 C ATOM 620 CD2 LEU A 39 -7.339 6.578 4.543 1.00 0.00 C ATOM 0 H LEU A 39 -11.609 6.827 4.479 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.488 4.527 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.785 6.086 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.081 4.505 5.199 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.120 5.224 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.449 7.534 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.000 6.669 2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.552 7.859 3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.612 7.021 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.717 7.345 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.860 5.788 5.122 1.00 0.00 H new ATOM 632 N GLY A 40 -12.514 3.252 4.129 1.00 0.00 N ATOM 633 CA GLY A 40 -13.321 2.218 4.862 1.00 0.00 C ATOM 634 C GLY A 40 -13.228 0.879 4.137 1.00 0.00 C ATOM 635 O GLY A 40 -12.343 0.652 3.339 1.00 0.00 O ATOM 0 H GLY A 40 -12.786 3.398 3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.955 2.115 5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.362 2.535 4.927 1.00 0.00 H new ATOM 697 N GLN A 50 -8.066 -11.555 5.766 1.00 0.00 N ATOM 698 CA GLN A 50 -7.411 -10.486 4.954 1.00 0.00 C ATOM 699 C GLN A 50 -8.088 -9.148 5.231 1.00 0.00 C ATOM 700 O GLN A 50 -9.191 -9.099 5.733 1.00 0.00 O ATOM 701 CB GLN A 50 -7.550 -10.815 3.470 1.00 0.00 C ATOM 702 CG GLN A 50 -6.688 -12.030 3.141 1.00 0.00 C ATOM 703 CD GLN A 50 -6.849 -12.378 1.664 1.00 0.00 C ATOM 704 OE1 GLN A 50 -7.513 -11.669 0.930 1.00 0.00 O ATOM 705 NE2 GLN A 50 -6.268 -13.444 1.193 1.00 0.00 N ATOM 0 HA GLN A 50 -6.356 -10.428 5.222 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.593 -11.018 3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.242 -9.962 2.866 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.642 -11.820 3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.982 -12.877 3.760 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.712 -14.037 1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.369 -13.686 0.207 1.00 0.00 H new ATOM 714 N VAL A 51 -7.431 -8.061 4.908 1.00 0.00 N ATOM 715 CA VAL A 51 -8.025 -6.709 5.149 1.00 0.00 C ATOM 716 C VAL A 51 -8.237 -6.016 3.806 1.00 0.00 C ATOM 717 O VAL A 51 -7.359 -5.980 2.968 1.00 0.00 O ATOM 718 CB VAL A 51 -7.056 -5.882 5.999 1.00 0.00 C ATOM 719 CG1 VAL A 51 -7.503 -4.416 6.030 1.00 0.00 C ATOM 720 CG2 VAL A 51 -7.038 -6.443 7.421 1.00 0.00 C ATOM 0 H VAL A 51 -6.503 -8.052 4.485 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.978 -6.806 5.669 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.057 -5.936 5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.808 -3.836 6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.517 -4.018 5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.502 -4.349 6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.350 -5.860 8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.040 -6.387 7.847 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.711 -7.483 7.398 1.00 0.00 H new ATOM 730 N GLU A 52 -9.407 -5.466 3.602 1.00 0.00 N ATOM 731 CA GLU A 52 -9.714 -4.762 2.323 1.00 0.00 C ATOM 732 C GLU A 52 -10.031 -3.307 2.637 1.00 0.00 C ATOM 733 O GLU A 52 -10.816 -3.013 3.516 1.00 0.00 O ATOM 734 CB GLU A 52 -10.929 -5.418 1.668 1.00 0.00 C ATOM 735 CG GLU A 52 -10.550 -6.825 1.215 1.00 0.00 C ATOM 736 CD GLU A 52 -11.761 -7.496 0.573 1.00 0.00 C ATOM 737 OE1 GLU A 52 -12.786 -6.843 0.459 1.00 0.00 O ATOM 738 OE2 GLU A 52 -11.645 -8.651 0.201 1.00 0.00 O ATOM 0 H GLU A 52 -10.172 -5.476 4.277 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.863 -4.821 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.760 -5.460 2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.263 -4.826 0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.726 -6.780 0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.204 -7.412 2.066 1.00 0.00 H new ATOM 745 N VAL A 53 -9.415 -2.391 1.937 1.00 0.00 N ATOM 746 CA VAL A 53 -9.660 -0.938 2.190 1.00 0.00 C ATOM 747 C VAL A 53 -10.029 -0.259 0.876 1.00 0.00 C ATOM 748 O VAL A 53 -9.389 -0.464 -0.133 1.00 0.00 O ATOM 749 CB VAL A 53 -8.384 -0.302 2.752 1.00 0.00 C ATOM 750 CG1 VAL A 53 -8.529 1.224 2.770 1.00 0.00 C ATOM 751 CG2 VAL A 53 -8.152 -0.810 4.176 1.00 0.00 C ATOM 0 H VAL A 53 -8.746 -2.588 1.193 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.473 -0.818 2.906 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.536 -0.573 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.619 1.671 3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.695 1.586 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.376 1.502 3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.245 -0.360 4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.002 -0.538 4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.044 -1.895 4.162 1.00 0.00 H new ATOM 761 N GLU A 54 -11.054 0.550 0.887 1.00 0.00 N ATOM 762 CA GLU A 54 -11.480 1.263 -0.349 1.00 0.00 C ATOM 763 C GLU A 54 -11.445 2.763 -0.067 1.00 0.00 C ATOM 764 O GLU A 54 -11.861 3.217 0.982 1.00 0.00 O ATOM 765 CB GLU A 54 -12.906 0.826 -0.708 1.00 0.00 C ATOM 766 CG GLU A 54 -13.503 1.777 -1.747 1.00 0.00 C ATOM 767 CD GLU A 54 -12.551 1.891 -2.937 1.00 0.00 C ATOM 768 OE1 GLU A 54 -11.996 0.878 -3.322 1.00 0.00 O ATOM 769 OE2 GLU A 54 -12.402 2.988 -3.449 1.00 0.00 O ATOM 0 H GLU A 54 -11.621 0.749 1.711 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.818 1.029 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.895 -0.191 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.528 0.817 0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.474 1.409 -2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.669 2.759 -1.304 1.00 0.00 H new ATOM 776 N GLY A 55 -10.948 3.537 -0.990 1.00 0.00 N ATOM 777 CA GLY A 55 -10.889 5.008 -0.765 1.00 0.00 C ATOM 778 C GLY A 55 -9.774 5.601 -1.617 1.00 0.00 C ATOM 779 O GLY A 55 -9.021 4.891 -2.247 1.00 0.00 O ATOM 0 H GLY A 55 -10.582 3.217 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.844 5.466 -1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.709 5.220 0.289 1.00 0.00 H new ATOM 783 N LEU A 56 -9.666 6.901 -1.645 1.00 0.00 N ATOM 784 CA LEU A 56 -8.600 7.550 -2.464 1.00 0.00 C ATOM 785 C LEU A 56 -7.400 7.879 -1.576 1.00 0.00 C ATOM 786 O LEU A 56 -7.547 8.295 -0.445 1.00 0.00 O ATOM 787 CB LEU A 56 -9.147 8.835 -3.090 1.00 0.00 C ATOM 788 CG LEU A 56 -9.962 9.648 -2.050 1.00 0.00 C ATOM 789 CD1 LEU A 56 -9.800 11.152 -2.318 1.00 0.00 C ATOM 790 CD2 LEU A 56 -11.453 9.289 -2.139 1.00 0.00 C ATOM 0 H LEU A 56 -10.271 7.545 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.285 6.869 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.323 9.441 -3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.779 8.589 -3.943 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.588 9.404 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.375 11.716 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.747 11.424 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.163 11.384 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.011 9.868 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.824 9.519 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.584 8.225 -1.939 1.00 0.00 H new ATOM 802 N ILE A 57 -6.211 7.691 -2.082 1.00 0.00 N ATOM 803 CA ILE A 57 -4.987 7.987 -1.275 1.00 0.00 C ATOM 804 C ILE A 57 -4.473 9.383 -1.644 1.00 0.00 C ATOM 805 O ILE A 57 -4.075 9.637 -2.762 1.00 0.00 O ATOM 806 CB ILE A 57 -3.925 6.911 -1.589 1.00 0.00 C ATOM 807 CG1 ILE A 57 -4.219 5.658 -0.755 1.00 0.00 C ATOM 808 CG2 ILE A 57 -2.514 7.422 -1.265 1.00 0.00 C ATOM 809 CD1 ILE A 57 -5.596 5.096 -1.127 1.00 0.00 C ATOM 0 H ILE A 57 -6.032 7.343 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.209 7.970 -0.208 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.969 6.675 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.450 4.905 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.191 5.902 0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.784 6.646 -1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.302 8.308 -1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.453 7.675 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.799 4.206 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.361 5.847 -0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.609 4.835 -2.185 1.00 0.00 H new ATOM 821 N ASP A 58 -4.478 10.287 -0.701 1.00 0.00 N ATOM 822 CA ASP A 58 -3.992 11.672 -0.969 1.00 0.00 C ATOM 823 C ASP A 58 -2.526 11.767 -0.551 1.00 0.00 C ATOM 824 O ASP A 58 -1.810 12.656 -0.967 1.00 0.00 O ATOM 825 CB ASP A 58 -4.835 12.662 -0.158 1.00 0.00 C ATOM 826 CG ASP A 58 -4.643 14.081 -0.699 1.00 0.00 C ATOM 827 OD1 ASP A 58 -4.521 14.226 -1.904 1.00 0.00 O ATOM 828 OD2 ASP A 58 -4.634 15.000 0.102 1.00 0.00 O ATOM 0 H ASP A 58 -4.801 10.123 0.253 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.083 11.909 -2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.888 12.384 -0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.546 12.623 0.892 1.00 0.00 H new ATOM 833 N ALA A 59 -2.069 10.859 0.270 1.00 0.00 N ATOM 834 CA ALA A 59 -0.645 10.906 0.702 1.00 0.00 C ATOM 835 C ALA A 59 -0.298 9.635 1.479 1.00 0.00 C ATOM 836 O ALA A 59 -1.142 9.028 2.105 1.00 0.00 O ATOM 837 CB ALA A 59 -0.431 12.125 1.598 1.00 0.00 C ATOM 0 H ALA A 59 -2.618 10.092 0.657 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.002 10.977 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.611 12.164 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.675 13.031 1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.076 12.051 2.474 1.00 0.00 H new ATOM 843 N LEU A 60 0.948 9.229 1.437 1.00 0.00 N ATOM 844 CA LEU A 60 1.385 7.997 2.169 1.00 0.00 C ATOM 845 C LEU A 60 2.575 8.341 3.060 1.00 0.00 C ATOM 846 O LEU A 60 3.478 9.047 2.661 1.00 0.00 O ATOM 847 CB LEU A 60 1.801 6.923 1.150 1.00 0.00 C ATOM 848 CG LEU A 60 0.556 6.196 0.601 1.00 0.00 C ATOM 849 CD1 LEU A 60 0.862 5.618 -0.784 1.00 0.00 C ATOM 850 CD2 LEU A 60 0.158 5.049 1.544 1.00 0.00 C ATOM 0 H LEU A 60 1.689 9.703 0.921 1.00 0.00 H new ATOM 0 HA LEU A 60 0.566 7.620 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.353 7.384 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.472 6.205 1.622 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.264 6.911 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.020 5.106 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.136 6.426 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.688 4.911 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.722 4.541 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.982 4.340 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.069 5.452 2.531 1.00 0.00 H new ATOM 862 N VAL A 61 2.584 7.843 4.268 1.00 0.00 N ATOM 863 CA VAL A 61 3.719 8.125 5.196 1.00 0.00 C ATOM 864 C VAL A 61 4.155 6.820 5.864 1.00 0.00 C ATOM 865 O VAL A 61 3.359 6.108 6.443 1.00 0.00 O ATOM 866 CB VAL A 61 3.262 9.137 6.249 1.00 0.00 C ATOM 867 CG1 VAL A 61 4.309 9.244 7.359 1.00 0.00 C ATOM 868 CG2 VAL A 61 3.091 10.501 5.577 1.00 0.00 C ATOM 0 H VAL A 61 1.850 7.250 4.654 1.00 0.00 H new ATOM 0 HA VAL A 61 4.564 8.541 4.647 1.00 0.00 H new ATOM 0 HB VAL A 61 2.317 8.812 6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.976 9.966 8.105 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.440 8.270 7.831 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.258 9.572 6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.765 11.233 6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.042 10.817 5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.344 10.426 4.787 1.00 0.00 H new ATOM 878 N TYR A 62 5.420 6.509 5.792 1.00 0.00 N ATOM 879 CA TYR A 62 5.945 5.262 6.422 1.00 0.00 C ATOM 880 C TYR A 62 7.280 5.616 7.095 1.00 0.00 C ATOM 881 O TYR A 62 8.253 5.858 6.415 1.00 0.00 O ATOM 882 CB TYR A 62 6.174 4.208 5.328 1.00 0.00 C ATOM 883 CG TYR A 62 6.917 3.027 5.900 1.00 0.00 C ATOM 884 CD1 TYR A 62 6.209 1.959 6.463 1.00 0.00 C ATOM 885 CD2 TYR A 62 8.315 3.000 5.870 1.00 0.00 C ATOM 886 CE1 TYR A 62 6.897 0.865 6.994 1.00 0.00 C ATOM 887 CE2 TYR A 62 9.005 1.907 6.403 1.00 0.00 C ATOM 888 CZ TYR A 62 8.296 0.840 6.964 1.00 0.00 C ATOM 889 OH TYR A 62 8.977 -0.231 7.491 1.00 0.00 O ATOM 0 H TYR A 62 6.123 7.074 5.316 1.00 0.00 H new ATOM 0 HA TYR A 62 5.244 4.862 7.155 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.218 3.883 4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.742 4.643 4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.129 1.981 6.487 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.862 3.824 5.435 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.350 0.040 7.427 1.00 0.00 H new ATOM 0 HE2 TYR A 62 10.085 1.887 6.382 1.00 0.00 H new ATOM 0 HH TYR A 62 9.941 -0.089 7.387 1.00 0.00 H new ATOM 899 N PRO A 63 7.342 5.672 8.411 1.00 0.00 N ATOM 900 CA PRO A 63 8.602 6.030 9.122 1.00 0.00 C ATOM 901 C PRO A 63 9.821 5.299 8.556 1.00 0.00 C ATOM 902 O PRO A 63 10.259 4.303 9.094 1.00 0.00 O ATOM 903 CB PRO A 63 8.336 5.587 10.564 1.00 0.00 C ATOM 904 CG PRO A 63 6.861 5.735 10.735 1.00 0.00 C ATOM 905 CD PRO A 63 6.245 5.410 9.368 1.00 0.00 C ATOM 0 HA PRO A 63 8.836 7.090 9.023 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.653 4.557 10.728 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.882 6.206 11.276 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.487 5.058 11.503 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.604 6.747 11.049 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.910 4.374 9.317 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.377 6.036 9.162 1.00 0.00 H new ATOM 913 N LEU A 64 10.386 5.769 7.476 1.00 0.00 N ATOM 914 CA LEU A 64 11.570 5.067 6.918 1.00 0.00 C ATOM 915 C LEU A 64 12.810 5.466 7.723 1.00 0.00 C ATOM 916 O LEU A 64 13.579 6.313 7.319 1.00 0.00 O ATOM 917 CB LEU A 64 11.741 5.469 5.445 1.00 0.00 C ATOM 918 CG LEU A 64 12.574 4.424 4.672 1.00 0.00 C ATOM 919 CD1 LEU A 64 13.078 5.025 3.342 1.00 0.00 C ATOM 920 CD2 LEU A 64 13.790 3.934 5.488 1.00 0.00 C ATOM 0 H LEU A 64 10.082 6.597 6.964 1.00 0.00 H new ATOM 0 HA LEU A 64 11.435 3.987 6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.762 5.574 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.228 6.442 5.386 1.00 0.00 H new ATOM 0 HG LEU A 64 11.921 3.572 4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 64 13.664 4.279 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.226 5.325 2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 64 13.700 5.896 3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 64 14.347 3.200 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.437 4.780 5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.445 3.476 6.415 1.00 0.00 H new ATOM 1082 N ASN B 3 6.877 -13.052 6.465 1.00 0.00 N ATOM 1083 CA ASN B 3 6.786 -11.607 6.117 1.00 0.00 C ATOM 1084 C ASN B 3 6.260 -11.466 4.688 1.00 0.00 C ATOM 1085 O ASN B 3 6.076 -10.373 4.190 1.00 0.00 O ATOM 1086 CB ASN B 3 8.181 -10.990 6.196 1.00 0.00 C ATOM 1087 CG ASN B 3 9.179 -11.905 5.501 1.00 0.00 C ATOM 1088 OD1 ASN B 3 9.810 -11.465 4.452 1.00 0.00 O flip ATOM 1089 ND2 ASN B 3 9.378 -13.032 5.910 1.00 0.00 N flip ATOM 0 HA ASN B 3 6.113 -11.101 6.809 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.183 -10.007 5.725 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.468 -10.845 7.237 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.880 -13.371 6.733 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.043 -13.639 5.430 1.00 0.00 H new ATOM 1096 N ARG B 4 6.021 -12.562 4.021 1.00 0.00 N ATOM 1097 CA ARG B 4 5.519 -12.484 2.623 1.00 0.00 C ATOM 1098 C ARG B 4 4.062 -12.023 2.632 1.00 0.00 C ATOM 1099 O ARG B 4 3.258 -12.497 3.410 1.00 0.00 O ATOM 1100 CB ARG B 4 5.617 -13.871 1.969 1.00 0.00 C ATOM 1101 CG ARG B 4 7.050 -14.418 2.084 1.00 0.00 C ATOM 1102 CD ARG B 4 7.962 -13.752 1.048 1.00 0.00 C ATOM 1103 NE ARG B 4 7.478 -14.083 -0.326 1.00 0.00 N ATOM 1104 CZ ARG B 4 7.931 -15.138 -0.955 1.00 0.00 C ATOM 1105 NH1 ARG B 4 8.820 -15.913 -0.390 1.00 0.00 N ATOM 1106 NH2 ARG B 4 7.491 -15.421 -2.151 1.00 0.00 N ATOM 0 H ARG B 4 6.152 -13.506 4.384 1.00 0.00 H new ATOM 0 HA ARG B 4 6.120 -11.773 2.057 1.00 0.00 H new ATOM 0 HB2 ARG B 4 4.919 -14.557 2.450 1.00 0.00 H new ATOM 0 HB3 ARG B 4 5.329 -13.807 0.920 1.00 0.00 H new ATOM 0 HG2 ARG B 4 7.436 -14.237 3.087 1.00 0.00 H new ATOM 0 HG3 ARG B 4 7.047 -15.498 1.934 1.00 0.00 H new ATOM 0 HD2 ARG B 4 7.967 -12.672 1.193 1.00 0.00 H new ATOM 0 HD3 ARG B 4 8.988 -14.096 1.176 1.00 0.00 H new ATOM 0 HE ARG B 4 6.789 -13.482 -0.778 1.00 0.00 H new ATOM 0 HH11 ARG B 4 9.164 -15.697 0.546 1.00 0.00 H new ATOM 0 HH12 ARG B 4 9.169 -16.734 -0.885 1.00 0.00 H new ATOM 0 HH21 ARG B 4 6.795 -14.821 -2.594 1.00 0.00 H new ATOM 0 HH22 ARG B 4 7.843 -16.243 -2.643 1.00 0.00 H new ATOM 1120 N GLN B 5 3.715 -11.093 1.781 1.00 0.00 N ATOM 1121 CA GLN B 5 2.308 -10.596 1.749 1.00 0.00 C ATOM 1122 C GLN B 5 1.942 -10.171 0.327 1.00 0.00 C ATOM 1123 O GLN B 5 2.796 -9.981 -0.522 1.00 0.00 O ATOM 1124 CB GLN B 5 2.174 -9.405 2.699 1.00 0.00 C ATOM 1125 CG GLN B 5 3.211 -8.345 2.334 1.00 0.00 C ATOM 1126 CD GLN B 5 3.173 -7.223 3.371 1.00 0.00 C ATOM 1127 OE1 GLN B 5 3.834 -6.216 3.217 1.00 0.00 O ATOM 1128 NE2 GLN B 5 2.427 -7.362 4.432 1.00 0.00 N ATOM 0 H GLN B 5 4.345 -10.657 1.107 1.00 0.00 H new ATOM 0 HA GLN B 5 1.632 -11.391 2.065 1.00 0.00 H new ATOM 0 HB2 GLN B 5 1.170 -8.985 2.634 1.00 0.00 H new ATOM 0 HB3 GLN B 5 2.317 -9.730 3.730 1.00 0.00 H new ATOM 0 HG2 GLN B 5 4.206 -8.790 2.299 1.00 0.00 H new ATOM 0 HG3 GLN B 5 3.005 -7.945 1.341 1.00 0.00 H new ATOM 0 HE21 GLN B 5 1.873 -8.209 4.558 1.00 0.00 H new ATOM 0 HE22 GLN B 5 2.398 -6.624 5.135 1.00 0.00 H new ATOM 1137 N PHE B 6 0.669 -10.031 0.062 1.00 0.00 N ATOM 1138 CA PHE B 6 0.209 -9.628 -1.300 1.00 0.00 C ATOM 1139 C PHE B 6 -0.211 -8.164 -1.263 1.00 0.00 C ATOM 1140 O PHE B 6 -0.701 -7.682 -0.265 1.00 0.00 O ATOM 1141 CB PHE B 6 -1.020 -10.449 -1.675 1.00 0.00 C ATOM 1142 CG PHE B 6 -0.719 -11.912 -1.518 1.00 0.00 C ATOM 1143 CD1 PHE B 6 -0.964 -12.537 -0.292 1.00 0.00 C ATOM 1144 CD2 PHE B 6 -0.210 -12.646 -2.594 1.00 0.00 C ATOM 1145 CE1 PHE B 6 -0.695 -13.898 -0.137 1.00 0.00 C ATOM 1146 CE2 PHE B 6 0.062 -14.010 -2.438 1.00 0.00 C ATOM 1147 CZ PHE B 6 -0.185 -14.638 -1.209 1.00 0.00 C ATOM 0 H PHE B 6 -0.079 -10.180 0.739 1.00 0.00 H new ATOM 0 HA PHE B 6 1.013 -9.787 -2.018 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -1.862 -10.171 -1.041 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -1.311 -10.236 -2.704 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -1.361 -11.967 0.535 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -0.027 -12.162 -3.542 1.00 0.00 H new ATOM 0 HE1 PHE B 6 -0.881 -14.380 0.811 1.00 0.00 H new ATOM 0 HE2 PHE B 6 0.462 -14.579 -3.264 1.00 0.00 H new ATOM 0 HZ PHE B 6 0.018 -15.692 -1.090 1.00 0.00 H new ATOM 1157 N LEU B 7 -0.049 -7.454 -2.348 1.00 0.00 N ATOM 1158 CA LEU B 7 -0.476 -6.022 -2.385 1.00 0.00 C ATOM 1159 C LEU B 7 -1.205 -5.803 -3.709 1.00 0.00 C ATOM 1160 O LEU B 7 -0.644 -5.980 -4.771 1.00 0.00 O ATOM 1161 CB LEU B 7 0.757 -5.111 -2.294 1.00 0.00 C ATOM 1162 CG LEU B 7 0.343 -3.679 -1.911 1.00 0.00 C ATOM 1163 CD1 LEU B 7 1.581 -2.909 -1.444 1.00 0.00 C ATOM 1164 CD2 LEU B 7 -0.294 -2.957 -3.112 1.00 0.00 C ATOM 0 H LEU B 7 0.362 -7.804 -3.213 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.131 -5.785 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU B 7 1.453 -5.505 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.280 -5.101 -3.250 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.393 -3.725 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.296 -1.893 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU B 7 2.016 -3.409 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU B 7 2.314 -2.876 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.579 -1.946 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.424 -2.909 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -1.179 -3.504 -3.438 1.00 0.00 H new ATOM 1176 N SER B 8 -2.460 -5.434 -3.653 1.00 0.00 N ATOM 1177 CA SER B 8 -3.252 -5.219 -4.906 1.00 0.00 C ATOM 1178 C SER B 8 -3.563 -3.739 -5.057 1.00 0.00 C ATOM 1179 O SER B 8 -4.015 -3.096 -4.134 1.00 0.00 O ATOM 1180 CB SER B 8 -4.564 -6.000 -4.814 1.00 0.00 C ATOM 1181 OG SER B 8 -5.392 -5.648 -5.915 1.00 0.00 O ATOM 0 H SER B 8 -2.975 -5.271 -2.788 1.00 0.00 H new ATOM 0 HA SER B 8 -2.677 -5.564 -5.765 1.00 0.00 H new ATOM 0 HB2 SER B 8 -4.365 -7.072 -4.820 1.00 0.00 H new ATOM 0 HB3 SER B 8 -5.071 -5.775 -3.875 1.00 0.00 H new ATOM 0 HG SER B 8 -6.234 -6.146 -5.863 1.00 0.00 H new ATOM 1187 N LEU B 9 -3.320 -3.177 -6.214 1.00 0.00 N ATOM 1188 CA LEU B 9 -3.607 -1.724 -6.400 1.00 0.00 C ATOM 1189 C LEU B 9 -4.002 -1.448 -7.856 1.00 0.00 C ATOM 1190 O LEU B 9 -3.624 -2.166 -8.765 1.00 0.00 O ATOM 1191 CB LEU B 9 -2.356 -0.898 -6.035 1.00 0.00 C ATOM 1192 CG LEU B 9 -2.783 0.517 -5.582 1.00 0.00 C ATOM 1193 CD1 LEU B 9 -3.089 0.511 -4.078 1.00 0.00 C ATOM 1194 CD2 LEU B 9 -1.667 1.533 -5.870 1.00 0.00 C ATOM 0 H LEU B 9 -2.939 -3.656 -7.030 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.433 -1.438 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.800 -1.393 -5.239 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.689 -0.830 -6.895 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.676 0.804 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.389 1.511 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.897 -0.192 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -2.198 0.210 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -1.984 2.524 -5.545 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -0.765 1.245 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -1.459 1.551 -6.940 1.00 0.00 H new ATOM 1206 N THR B 10 -4.764 -0.408 -8.081 1.00 0.00 N ATOM 1207 CA THR B 10 -5.184 -0.071 -9.473 1.00 0.00 C ATOM 1208 C THR B 10 -5.486 1.427 -9.568 1.00 0.00 C ATOM 1209 O THR B 10 -5.158 2.192 -8.682 1.00 0.00 O ATOM 1210 CB THR B 10 -6.443 -0.858 -9.832 1.00 0.00 C ATOM 1211 OG1 THR B 10 -6.754 -0.633 -11.200 1.00 0.00 O ATOM 1212 CG2 THR B 10 -7.606 -0.392 -8.954 1.00 0.00 C ATOM 0 H THR B 10 -5.113 0.222 -7.359 1.00 0.00 H new ATOM 0 HA THR B 10 -4.381 -0.329 -10.163 1.00 0.00 H new ATOM 0 HB THR B 10 -6.275 -1.922 -9.665 1.00 0.00 H new ATOM 0 HG1 THR B 10 -7.560 -1.136 -11.439 1.00 0.00 H new ATOM 0 HG21 THR B 10 -8.504 -0.954 -9.211 1.00 0.00 H new ATOM 0 HG22 THR B 10 -7.360 -0.560 -7.905 1.00 0.00 H new ATOM 0 HG23 THR B 10 -7.784 0.671 -9.119 1.00 0.00 H new ATOM 1220 N GLY B 11 -6.111 1.853 -10.633 1.00 0.00 N ATOM 1221 CA GLY B 11 -6.434 3.300 -10.775 1.00 0.00 C ATOM 1222 C GLY B 11 -5.139 4.101 -10.842 1.00 0.00 C ATOM 1223 O GLY B 11 -5.123 5.291 -10.596 1.00 0.00 O ATOM 0 H GLY B 11 -6.411 1.262 -11.409 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -7.025 3.466 -11.676 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -7.038 3.634 -9.932 1.00 0.00 H new ATOM 1227 N VAL B 12 -4.051 3.462 -11.159 1.00 0.00 N ATOM 1228 CA VAL B 12 -2.753 4.181 -11.223 1.00 0.00 C ATOM 1229 C VAL B 12 -2.759 5.177 -12.384 1.00 0.00 C ATOM 1230 O VAL B 12 -3.337 4.932 -13.424 1.00 0.00 O ATOM 1231 CB VAL B 12 -1.626 3.165 -11.418 1.00 0.00 C ATOM 1232 CG1 VAL B 12 -1.852 2.392 -12.718 1.00 0.00 C ATOM 1233 CG2 VAL B 12 -0.284 3.897 -11.484 1.00 0.00 C ATOM 0 H VAL B 12 -4.005 2.467 -11.378 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.597 4.729 -10.294 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.618 2.468 -10.580 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -1.048 1.669 -12.856 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.807 1.869 -12.669 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.862 3.087 -13.558 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.519 3.173 -11.623 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.291 4.596 -12.321 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.122 4.445 -10.556 1.00 0.00 H new ATOM 1243 N SER B 13 -2.111 6.300 -12.216 1.00 0.00 N ATOM 1244 CA SER B 13 -2.067 7.310 -13.306 1.00 0.00 C ATOM 1245 C SER B 13 -1.162 6.796 -14.421 1.00 0.00 C ATOM 1246 O SER B 13 -1.483 6.899 -15.589 1.00 0.00 O ATOM 1247 CB SER B 13 -1.498 8.617 -12.756 1.00 0.00 C ATOM 1248 OG SER B 13 -2.267 9.024 -11.632 1.00 0.00 O ATOM 0 H SER B 13 -1.610 6.559 -11.366 1.00 0.00 H new ATOM 0 HA SER B 13 -3.071 7.483 -13.694 1.00 0.00 H new ATOM 0 HB2 SER B 13 -0.455 8.481 -12.469 1.00 0.00 H new ATOM 0 HB3 SER B 13 -1.519 9.389 -13.525 1.00 0.00 H new ATOM 0 HG SER B 13 -1.905 9.861 -11.274 1.00 0.00 H new ATOM 1254 N LYS B 14 -0.036 6.234 -14.073 1.00 0.00 N ATOM 1255 CA LYS B 14 0.884 5.701 -15.122 1.00 0.00 C ATOM 1256 C LYS B 14 2.010 4.907 -14.458 1.00 0.00 C ATOM 1257 O LYS B 14 2.288 5.067 -13.285 1.00 0.00 O ATOM 1258 CB LYS B 14 1.478 6.863 -15.929 1.00 0.00 C ATOM 1259 CG LYS B 14 2.469 7.682 -15.059 1.00 0.00 C ATOM 1260 CD LYS B 14 3.929 7.288 -15.371 1.00 0.00 C ATOM 1261 CE LYS B 14 4.443 8.080 -16.584 1.00 0.00 C ATOM 1262 NZ LYS B 14 3.331 8.294 -17.550 1.00 0.00 N ATOM 0 H LYS B 14 0.287 6.121 -13.112 1.00 0.00 H new ATOM 0 HA LYS B 14 0.327 5.047 -15.793 1.00 0.00 H new ATOM 0 HB2 LYS B 14 1.992 6.476 -16.809 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.678 7.511 -16.286 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.328 8.747 -15.244 1.00 0.00 H new ATOM 0 HG3 LYS B 14 2.259 7.511 -14.003 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.560 7.485 -14.504 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.990 6.219 -15.573 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.846 9.040 -16.260 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.257 7.539 -17.066 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.673 8.859 -18.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.988 7.374 -17.894 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.554 8.798 -17.078 1.00 0.00 H new ATOM 1276 N VAL B 15 2.659 4.046 -15.195 1.00 0.00 N ATOM 1277 CA VAL B 15 3.766 3.235 -14.605 1.00 0.00 C ATOM 1278 C VAL B 15 5.091 3.983 -14.744 1.00 0.00 C ATOM 1279 O VAL B 15 5.651 4.081 -15.819 1.00 0.00 O ATOM 1280 CB VAL B 15 3.856 1.899 -15.340 1.00 0.00 C ATOM 1281 CG1 VAL B 15 5.050 1.097 -14.816 1.00 0.00 C ATOM 1282 CG2 VAL B 15 2.570 1.112 -15.094 1.00 0.00 C ATOM 0 H VAL B 15 2.471 3.868 -16.182 1.00 0.00 H new ATOM 0 HA VAL B 15 3.564 3.062 -13.548 1.00 0.00 H new ATOM 0 HB VAL B 15 3.987 2.077 -16.407 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.109 0.145 -15.344 1.00 0.00 H new ATOM 0 HG12 VAL B 15 5.968 1.661 -14.981 1.00 0.00 H new ATOM 0 HG13 VAL B 15 4.925 0.913 -13.749 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.623 0.156 -15.615 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.449 0.937 -14.025 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.718 1.681 -15.467 1.00 0.00 H new ATOM 1292 N GLN B 16 5.607 4.499 -13.663 1.00 0.00 N ATOM 1293 CA GLN B 16 6.902 5.228 -13.721 1.00 0.00 C ATOM 1294 C GLN B 16 8.014 4.243 -14.085 1.00 0.00 C ATOM 1295 O GLN B 16 8.898 4.549 -14.860 1.00 0.00 O ATOM 1296 CB GLN B 16 7.181 5.847 -12.349 1.00 0.00 C ATOM 1297 CG GLN B 16 8.437 6.722 -12.409 1.00 0.00 C ATOM 1298 CD GLN B 16 8.177 7.938 -13.299 1.00 0.00 C ATOM 1299 OE1 GLN B 16 8.310 7.864 -14.505 1.00 0.00 O ATOM 1300 NE2 GLN B 16 7.807 9.065 -12.751 1.00 0.00 N ATOM 0 H GLN B 16 5.183 4.446 -12.737 1.00 0.00 H new ATOM 0 HA GLN B 16 6.860 6.016 -14.473 1.00 0.00 H new ATOM 0 HB2 GLN B 16 6.327 6.445 -12.031 1.00 0.00 H new ATOM 0 HB3 GLN B 16 7.312 5.060 -11.607 1.00 0.00 H new ATOM 0 HG2 GLN B 16 8.714 7.046 -11.406 1.00 0.00 H new ATOM 0 HG3 GLN B 16 9.275 6.145 -12.801 1.00 0.00 H new ATOM 0 HE21 GLN B 16 7.695 9.128 -11.739 1.00 0.00 H new ATOM 0 HE22 GLN B 16 7.630 9.882 -13.335 1.00 0.00 H new ATOM 1309 N SER B 17 7.979 3.058 -13.535 1.00 0.00 N ATOM 1310 CA SER B 17 9.034 2.056 -13.854 1.00 0.00 C ATOM 1311 C SER B 17 8.652 0.714 -13.238 1.00 0.00 C ATOM 1312 O SER B 17 7.820 0.642 -12.356 1.00 0.00 O ATOM 1313 CB SER B 17 10.367 2.510 -13.270 1.00 0.00 C ATOM 1314 OG SER B 17 11.395 1.636 -13.720 1.00 0.00 O ATOM 0 H SER B 17 7.265 2.742 -12.879 1.00 0.00 H new ATOM 0 HA SER B 17 9.125 1.958 -14.936 1.00 0.00 H new ATOM 0 HB2 SER B 17 10.583 3.533 -13.577 1.00 0.00 H new ATOM 0 HB3 SER B 17 10.321 2.507 -12.181 1.00 0.00 H new ATOM 0 HG SER B 17 12.255 1.924 -13.349 1.00 0.00 H new ATOM 1320 N PHE B 18 9.255 -0.354 -13.693 1.00 0.00 N ATOM 1321 CA PHE B 18 8.936 -1.704 -13.130 1.00 0.00 C ATOM 1322 C PHE B 18 10.222 -2.527 -12.997 1.00 0.00 C ATOM 1323 O PHE B 18 10.800 -2.953 -13.978 1.00 0.00 O ATOM 1324 CB PHE B 18 7.940 -2.424 -14.061 1.00 0.00 C ATOM 1325 CG PHE B 18 7.962 -3.924 -13.808 1.00 0.00 C ATOM 1326 CD1 PHE B 18 7.867 -4.419 -12.502 1.00 0.00 C ATOM 1327 CD2 PHE B 18 8.091 -4.816 -14.880 1.00 0.00 C ATOM 1328 CE1 PHE B 18 7.901 -5.798 -12.266 1.00 0.00 C ATOM 1329 CE2 PHE B 18 8.123 -6.197 -14.645 1.00 0.00 C ATOM 1330 CZ PHE B 18 8.028 -6.687 -13.338 1.00 0.00 C ATOM 0 H PHE B 18 9.957 -0.351 -14.433 1.00 0.00 H new ATOM 0 HA PHE B 18 8.487 -1.591 -12.143 1.00 0.00 H new ATOM 0 HB2 PHE B 18 6.935 -2.036 -13.897 1.00 0.00 H new ATOM 0 HB3 PHE B 18 8.194 -2.221 -15.101 1.00 0.00 H new ATOM 0 HD1 PHE B 18 7.767 -3.734 -11.673 1.00 0.00 H new ATOM 0 HD2 PHE B 18 8.166 -4.439 -15.889 1.00 0.00 H new ATOM 0 HE1 PHE B 18 7.829 -6.175 -11.257 1.00 0.00 H new ATOM 0 HE2 PHE B 18 8.221 -6.883 -15.473 1.00 0.00 H new ATOM 0 HZ PHE B 18 8.053 -7.751 -13.157 1.00 0.00 H new ATOM 1340 N ASP B 19 10.655 -2.773 -11.786 1.00 0.00 N ATOM 1341 CA ASP B 19 11.881 -3.596 -11.555 1.00 0.00 C ATOM 1342 C ASP B 19 11.553 -4.625 -10.463 1.00 0.00 C ATOM 1343 O ASP B 19 10.753 -4.358 -9.592 1.00 0.00 O ATOM 1344 CB ASP B 19 13.032 -2.695 -11.100 1.00 0.00 C ATOM 1345 CG ASP B 19 13.475 -1.814 -12.268 1.00 0.00 C ATOM 1346 OD1 ASP B 19 12.611 -1.284 -12.946 1.00 0.00 O ATOM 1347 OD2 ASP B 19 14.671 -1.685 -12.468 1.00 0.00 O ATOM 0 H ASP B 19 10.204 -2.434 -10.936 1.00 0.00 H new ATOM 0 HA ASP B 19 12.184 -4.100 -12.473 1.00 0.00 H new ATOM 0 HB2 ASP B 19 12.714 -2.075 -10.262 1.00 0.00 H new ATOM 0 HB3 ASP B 19 13.867 -3.301 -10.749 1.00 0.00 H new ATOM 1352 N PRO B 20 12.137 -5.793 -10.502 1.00 0.00 N ATOM 1353 CA PRO B 20 11.852 -6.851 -9.487 1.00 0.00 C ATOM 1354 C PRO B 20 12.410 -6.488 -8.108 1.00 0.00 C ATOM 1355 O PRO B 20 12.122 -7.140 -7.125 1.00 0.00 O ATOM 1356 CB PRO B 20 12.540 -8.100 -10.055 1.00 0.00 C ATOM 1357 CG PRO B 20 13.638 -7.571 -10.922 1.00 0.00 C ATOM 1358 CD PRO B 20 13.126 -6.247 -11.498 1.00 0.00 C ATOM 0 HA PRO B 20 10.783 -6.991 -9.328 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.934 -8.731 -9.258 1.00 0.00 H new ATOM 0 HB3 PRO B 20 11.842 -8.710 -10.629 1.00 0.00 H new ATOM 0 HG2 PRO B 20 14.550 -7.418 -10.345 1.00 0.00 H new ATOM 0 HG3 PRO B 20 13.879 -8.275 -11.719 1.00 0.00 H new ATOM 0 HD2 PRO B 20 13.933 -5.524 -11.620 1.00 0.00 H new ATOM 0 HD3 PRO B 20 12.672 -6.386 -12.479 1.00 0.00 H new ATOM 1366 N LYS B 21 13.204 -5.451 -8.033 1.00 0.00 N ATOM 1367 CA LYS B 21 13.793 -5.023 -6.727 1.00 0.00 C ATOM 1368 C LYS B 21 13.316 -3.611 -6.382 1.00 0.00 C ATOM 1369 O LYS B 21 13.771 -3.011 -5.429 1.00 0.00 O ATOM 1370 CB LYS B 21 15.318 -5.049 -6.844 1.00 0.00 C ATOM 1371 CG LYS B 21 15.776 -4.028 -7.890 1.00 0.00 C ATOM 1372 CD LYS B 21 17.280 -4.180 -8.143 1.00 0.00 C ATOM 1373 CE LYS B 21 18.077 -3.694 -6.928 1.00 0.00 C ATOM 1374 NZ LYS B 21 19.507 -3.532 -7.313 1.00 0.00 N ATOM 0 H LYS B 21 13.473 -4.875 -8.831 1.00 0.00 H new ATOM 0 HA LYS B 21 13.475 -5.701 -5.935 1.00 0.00 H new ATOM 0 HB2 LYS B 21 15.770 -4.822 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS B 21 15.653 -6.047 -7.126 1.00 0.00 H new ATOM 0 HG2 LYS B 21 15.225 -4.174 -8.819 1.00 0.00 H new ATOM 0 HG3 LYS B 21 15.557 -3.018 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS B 21 17.517 -5.224 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS B 21 17.566 -3.609 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS B 21 17.675 -2.746 -6.570 1.00 0.00 H new ATOM 0 HE3 LYS B 21 17.987 -4.408 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 20.053 -3.202 -6.491 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 19.885 -4.445 -7.636 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 19.583 -2.835 -8.081 1.00 0.00 H new ATOM 1388 N GLU B 22 12.398 -3.076 -7.144 1.00 0.00 N ATOM 1389 CA GLU B 22 11.892 -1.706 -6.848 1.00 0.00 C ATOM 1390 C GLU B 22 10.686 -1.413 -7.738 1.00 0.00 C ATOM 1391 O GLU B 22 10.720 -1.648 -8.927 1.00 0.00 O ATOM 1392 CB GLU B 22 12.999 -0.683 -7.120 1.00 0.00 C ATOM 1393 CG GLU B 22 12.561 0.699 -6.625 1.00 0.00 C ATOM 1394 CD GLU B 22 13.780 1.620 -6.540 1.00 0.00 C ATOM 1395 OE1 GLU B 22 14.673 1.319 -5.764 1.00 0.00 O ATOM 1396 OE2 GLU B 22 13.797 2.618 -7.242 1.00 0.00 O ATOM 0 H GLU B 22 11.979 -3.528 -7.956 1.00 0.00 H new ATOM 0 HA GLU B 22 11.594 -1.641 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU B 22 13.918 -0.985 -6.617 1.00 0.00 H new ATOM 0 HB3 GLU B 22 13.217 -0.645 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU B 22 11.819 1.122 -7.303 1.00 0.00 H new ATOM 0 HG3 GLU B 22 12.087 0.614 -5.647 1.00 0.00 H new ATOM 1403 N ILE B 23 9.617 -0.907 -7.170 1.00 0.00 N ATOM 1404 CA ILE B 23 8.396 -0.598 -7.985 1.00 0.00 C ATOM 1405 C ILE B 23 8.057 0.883 -7.843 1.00 0.00 C ATOM 1406 O ILE B 23 7.912 1.401 -6.752 1.00 0.00 O ATOM 1407 CB ILE B 23 7.231 -1.446 -7.467 1.00 0.00 C ATOM 1408 CG1 ILE B 23 7.572 -2.941 -7.631 1.00 0.00 C ATOM 1409 CG2 ILE B 23 5.946 -1.097 -8.231 1.00 0.00 C ATOM 1410 CD1 ILE B 23 7.825 -3.293 -9.103 1.00 0.00 C ATOM 0 H ILE B 23 9.536 -0.694 -6.176 1.00 0.00 H new ATOM 0 HA ILE B 23 8.578 -0.825 -9.035 1.00 0.00 H new ATOM 0 HB ILE B 23 7.068 -1.235 -6.410 1.00 0.00 H new ATOM 0 HG12 ILE B 23 8.455 -3.183 -7.039 1.00 0.00 H new ATOM 0 HG13 ILE B 23 6.753 -3.548 -7.244 1.00 0.00 H new ATOM 0 HG21 ILE B 23 5.123 -1.705 -7.856 1.00 0.00 H new ATOM 0 HG22 ILE B 23 5.713 -0.042 -8.087 1.00 0.00 H new ATOM 0 HG23 ILE B 23 6.089 -1.296 -9.293 1.00 0.00 H new ATOM 0 HD11 ILE B 23 8.063 -4.353 -9.188 1.00 0.00 H new ATOM 0 HD12 ILE B 23 6.932 -3.074 -9.688 1.00 0.00 H new ATOM 0 HD13 ILE B 23 8.660 -2.702 -9.480 1.00 0.00 H new ATOM 1422 N LEU B 24 7.937 1.568 -8.951 1.00 0.00 N ATOM 1423 CA LEU B 24 7.612 3.025 -8.928 1.00 0.00 C ATOM 1424 C LEU B 24 6.299 3.246 -9.677 1.00 0.00 C ATOM 1425 O LEU B 24 6.218 3.051 -10.872 1.00 0.00 O ATOM 1426 CB LEU B 24 8.735 3.788 -9.636 1.00 0.00 C ATOM 1427 CG LEU B 24 10.078 3.466 -8.966 1.00 0.00 C ATOM 1428 CD1 LEU B 24 11.198 4.235 -9.672 1.00 0.00 C ATOM 1429 CD2 LEU B 24 10.035 3.858 -7.480 1.00 0.00 C ATOM 0 H LEU B 24 8.052 1.173 -9.884 1.00 0.00 H new ATOM 0 HA LEU B 24 7.515 3.378 -7.901 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.768 3.512 -10.690 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.543 4.860 -9.593 1.00 0.00 H new ATOM 0 HG LEU B 24 10.268 2.395 -9.042 1.00 0.00 H new ATOM 0 HD11 LEU B 24 12.152 4.007 -9.197 1.00 0.00 H new ATOM 0 HD12 LEU B 24 11.236 3.941 -10.721 1.00 0.00 H new ATOM 0 HD13 LEU B 24 11.005 5.305 -9.602 1.00 0.00 H new ATOM 0 HD21 LEU B 24 10.993 3.625 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU B 24 9.838 4.926 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU B 24 9.243 3.301 -6.979 1.00 0.00 H new ATOM 1441 N LEU B 25 5.265 3.646 -8.981 1.00 0.00 N ATOM 1442 CA LEU B 25 3.944 3.879 -9.642 1.00 0.00 C ATOM 1443 C LEU B 25 3.395 5.231 -9.207 1.00 0.00 C ATOM 1444 O LEU B 25 3.507 5.614 -8.060 1.00 0.00 O ATOM 1445 CB LEU B 25 2.965 2.778 -9.226 1.00 0.00 C ATOM 1446 CG LEU B 25 3.466 1.415 -9.719 1.00 0.00 C ATOM 1447 CD1 LEU B 25 2.555 0.317 -9.161 1.00 0.00 C ATOM 1448 CD2 LEU B 25 3.451 1.365 -11.256 1.00 0.00 C ATOM 0 H LEU B 25 5.279 3.822 -7.976 1.00 0.00 H new ATOM 0 HA LEU B 25 4.070 3.865 -10.725 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.860 2.765 -8.141 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.978 2.983 -9.640 1.00 0.00 H new ATOM 0 HG LEU B 25 4.489 1.262 -9.374 1.00 0.00 H new ATOM 0 HD11 LEU B 25 2.904 -0.656 -9.507 1.00 0.00 H new ATOM 0 HD12 LEU B 25 2.577 0.344 -8.072 1.00 0.00 H new ATOM 0 HD13 LEU B 25 1.534 0.480 -9.507 1.00 0.00 H new ATOM 0 HD21 LEU B 25 3.809 0.392 -11.592 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.434 1.521 -11.615 1.00 0.00 H new ATOM 0 HD23 LEU B 25 4.100 2.147 -11.652 1.00 0.00 H new ATOM 1460 N GLU B 26 2.798 5.957 -10.117 1.00 0.00 N ATOM 1461 CA GLU B 26 2.227 7.294 -9.768 1.00 0.00 C ATOM 1462 C GLU B 26 0.705 7.187 -9.754 1.00 0.00 C ATOM 1463 O GLU B 26 0.088 6.885 -10.762 1.00 0.00 O ATOM 1464 CB GLU B 26 2.665 8.318 -10.810 1.00 0.00 C ATOM 1465 CG GLU B 26 2.163 9.704 -10.413 1.00 0.00 C ATOM 1466 CD GLU B 26 2.599 10.716 -11.472 1.00 0.00 C ATOM 1467 OE1 GLU B 26 3.076 10.287 -12.509 1.00 0.00 O ATOM 1468 OE2 GLU B 26 2.452 11.903 -11.228 1.00 0.00 O ATOM 0 H GLU B 26 2.681 5.680 -11.092 1.00 0.00 H new ATOM 0 HA GLU B 26 2.582 7.611 -8.787 1.00 0.00 H new ATOM 0 HB2 GLU B 26 3.752 8.324 -10.893 1.00 0.00 H new ATOM 0 HB3 GLU B 26 2.272 8.045 -11.789 1.00 0.00 H new ATOM 0 HG2 GLU B 26 1.077 9.699 -10.322 1.00 0.00 H new ATOM 0 HG3 GLU B 26 2.563 9.984 -9.438 1.00 0.00 H new ATOM 1475 N THR B 27 0.097 7.422 -8.611 1.00 0.00 N ATOM 1476 CA THR B 27 -1.396 7.330 -8.500 1.00 0.00 C ATOM 1477 C THR B 27 -1.964 8.643 -7.944 1.00 0.00 C ATOM 1478 O THR B 27 -1.304 9.363 -7.224 1.00 0.00 O ATOM 1479 CB THR B 27 -1.759 6.178 -7.557 1.00 0.00 C ATOM 1480 OG1 THR B 27 -3.161 6.182 -7.334 1.00 0.00 O ATOM 1481 CG2 THR B 27 -1.025 6.344 -6.226 1.00 0.00 C ATOM 0 H THR B 27 0.575 7.675 -7.746 1.00 0.00 H new ATOM 0 HA THR B 27 -1.821 7.150 -9.488 1.00 0.00 H new ATOM 0 HB THR B 27 -1.462 5.232 -8.009 1.00 0.00 H new ATOM 0 HG1 THR B 27 -3.457 5.278 -7.097 1.00 0.00 H new ATOM 0 HG21 THR B 27 -1.288 5.522 -5.561 1.00 0.00 H new ATOM 0 HG22 THR B 27 0.051 6.340 -6.401 1.00 0.00 H new ATOM 0 HG23 THR B 27 -1.314 7.289 -5.766 1.00 0.00 H new ATOM 1489 N ILE B 28 -3.196 8.942 -8.281 1.00 0.00 N ATOM 1490 CA ILE B 28 -3.859 10.195 -7.798 1.00 0.00 C ATOM 1491 C ILE B 28 -2.990 11.414 -8.127 1.00 0.00 C ATOM 1492 O ILE B 28 -3.253 12.139 -9.065 1.00 0.00 O ATOM 1493 CB ILE B 28 -4.096 10.128 -6.277 1.00 0.00 C ATOM 1494 CG1 ILE B 28 -4.532 8.712 -5.872 1.00 0.00 C ATOM 1495 CG2 ILE B 28 -5.197 11.124 -5.889 1.00 0.00 C ATOM 1496 CD1 ILE B 28 -5.672 8.226 -6.773 1.00 0.00 C ATOM 0 H ILE B 28 -3.780 8.360 -8.881 1.00 0.00 H new ATOM 0 HA ILE B 28 -4.820 10.290 -8.303 1.00 0.00 H new ATOM 0 HB ILE B 28 -3.169 10.379 -5.762 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -3.686 8.029 -5.945 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -4.856 8.708 -4.831 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -5.366 11.078 -4.813 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -4.889 12.132 -6.165 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -6.119 10.870 -6.412 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -5.970 7.221 -6.473 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -6.523 8.900 -6.678 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -5.335 8.211 -7.810 1.00 0.00 H new ATOM 1508 N GLN B 29 -1.964 11.647 -7.357 1.00 0.00 N ATOM 1509 CA GLN B 29 -1.082 12.814 -7.609 1.00 0.00 C ATOM 1510 C GLN B 29 0.160 12.683 -6.730 1.00 0.00 C ATOM 1511 O GLN B 29 0.510 13.583 -5.993 1.00 0.00 O ATOM 1512 CB GLN B 29 -1.830 14.109 -7.268 1.00 0.00 C ATOM 1513 CG GLN B 29 -2.443 14.009 -5.866 1.00 0.00 C ATOM 1514 CD GLN B 29 -3.280 15.261 -5.585 1.00 0.00 C ATOM 1515 OE1 GLN B 29 -2.920 16.349 -5.992 1.00 0.00 O ATOM 1516 NE2 GLN B 29 -4.392 15.154 -4.908 1.00 0.00 N ATOM 0 H GLN B 29 -1.699 11.072 -6.557 1.00 0.00 H new ATOM 0 HA GLN B 29 -0.791 12.844 -8.659 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -1.146 14.956 -7.315 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -2.613 14.290 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -3.066 13.118 -5.792 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -1.655 13.910 -5.119 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -4.695 14.242 -4.566 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -4.957 15.982 -4.721 1.00 0.00 H new ATOM 1525 N GLY B 30 0.822 11.558 -6.791 1.00 0.00 N ATOM 1526 CA GLY B 30 2.034 11.360 -5.948 1.00 0.00 C ATOM 1527 C GLY B 30 2.743 10.064 -6.350 1.00 0.00 C ATOM 1528 O GLY B 30 2.114 9.061 -6.632 1.00 0.00 O ATOM 0 H GLY B 30 0.575 10.769 -7.388 1.00 0.00 H new ATOM 0 HA2 GLY B 30 2.711 12.206 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.753 11.320 -4.896 1.00 0.00 H new ATOM 1532 N VAL B 31 4.050 10.080 -6.384 1.00 0.00 N ATOM 1533 CA VAL B 31 4.809 8.857 -6.772 1.00 0.00 C ATOM 1534 C VAL B 31 4.986 7.957 -5.550 1.00 0.00 C ATOM 1535 O VAL B 31 5.368 8.411 -4.493 1.00 0.00 O ATOM 1536 CB VAL B 31 6.182 9.264 -7.302 1.00 0.00 C ATOM 1537 CG1 VAL B 31 7.014 8.010 -7.600 1.00 0.00 C ATOM 1538 CG2 VAL B 31 5.997 10.079 -8.582 1.00 0.00 C ATOM 0 H VAL B 31 4.625 10.891 -6.159 1.00 0.00 H new ATOM 0 HA VAL B 31 4.261 8.318 -7.544 1.00 0.00 H new ATOM 0 HB VAL B 31 6.703 9.864 -6.556 1.00 0.00 H new ATOM 0 HG11 VAL B 31 7.993 8.304 -7.978 1.00 0.00 H new ATOM 0 HG12 VAL B 31 7.138 7.430 -6.686 1.00 0.00 H new ATOM 0 HG13 VAL B 31 6.503 7.404 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL B 31 6.972 10.375 -8.969 1.00 0.00 H new ATOM 0 HG22 VAL B 31 5.479 9.474 -9.327 1.00 0.00 H new ATOM 0 HG23 VAL B 31 5.408 10.970 -8.364 1.00 0.00 H new ATOM 1548 N LEU B 32 4.712 6.681 -5.689 1.00 0.00 N ATOM 1549 CA LEU B 32 4.867 5.736 -4.536 1.00 0.00 C ATOM 1550 C LEU B 32 6.033 4.795 -4.823 1.00 0.00 C ATOM 1551 O LEU B 32 6.050 4.104 -5.821 1.00 0.00 O ATOM 1552 CB LEU B 32 3.579 4.917 -4.380 1.00 0.00 C ATOM 1553 CG LEU B 32 3.736 3.875 -3.260 1.00 0.00 C ATOM 1554 CD1 LEU B 32 4.127 4.561 -1.943 1.00 0.00 C ATOM 1555 CD2 LEU B 32 2.403 3.138 -3.079 1.00 0.00 C ATOM 0 H LEU B 32 4.386 6.252 -6.555 1.00 0.00 H new ATOM 0 HA LEU B 32 5.058 6.293 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.744 5.580 -4.153 1.00 0.00 H new ATOM 0 HB3 LEU B 32 3.343 4.417 -5.319 1.00 0.00 H new ATOM 0 HG LEU B 32 4.521 3.169 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU B 32 4.234 3.811 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU B 32 5.073 5.087 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU B 32 3.352 5.273 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.502 2.396 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU B 32 1.625 3.853 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU B 32 2.133 2.640 -4.010 1.00 0.00 H new ATOM 1567 N SER B 33 7.012 4.756 -3.949 1.00 0.00 N ATOM 1568 CA SER B 33 8.186 3.855 -4.159 1.00 0.00 C ATOM 1569 C SER B 33 8.135 2.722 -3.136 1.00 0.00 C ATOM 1570 O SER B 33 8.173 2.951 -1.944 1.00 0.00 O ATOM 1571 CB SER B 33 9.475 4.658 -3.970 1.00 0.00 C ATOM 1572 OG SER B 33 9.458 5.783 -4.838 1.00 0.00 O ATOM 0 H SER B 33 7.046 5.313 -3.095 1.00 0.00 H new ATOM 0 HA SER B 33 8.161 3.439 -5.166 1.00 0.00 H new ATOM 0 HB2 SER B 33 9.565 4.985 -2.934 1.00 0.00 H new ATOM 0 HB3 SER B 33 10.342 4.032 -4.183 1.00 0.00 H new ATOM 0 HG SER B 33 10.281 6.301 -4.719 1.00 0.00 H new ATOM 1578 N ILE B 34 8.056 1.496 -3.596 1.00 0.00 N ATOM 1579 CA ILE B 34 8.009 0.326 -2.663 1.00 0.00 C ATOM 1580 C ILE B 34 9.324 -0.437 -2.772 1.00 0.00 C ATOM 1581 O ILE B 34 9.767 -0.765 -3.854 1.00 0.00 O ATOM 1582 CB ILE B 34 6.854 -0.599 -3.062 1.00 0.00 C ATOM 1583 CG1 ILE B 34 5.531 0.155 -2.912 1.00 0.00 C ATOM 1584 CG2 ILE B 34 6.849 -1.832 -2.154 1.00 0.00 C ATOM 1585 CD1 ILE B 34 4.405 -0.651 -3.559 1.00 0.00 C ATOM 0 H ILE B 34 8.022 1.254 -4.586 1.00 0.00 H new ATOM 0 HA ILE B 34 7.859 0.672 -1.640 1.00 0.00 H new ATOM 0 HB ILE B 34 6.978 -0.916 -4.097 1.00 0.00 H new ATOM 0 HG12 ILE B 34 5.313 0.321 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE B 34 5.605 1.136 -3.381 1.00 0.00 H new ATOM 0 HG21 ILE B 34 6.027 -2.490 -2.438 1.00 0.00 H new ATOM 0 HG22 ILE B 34 7.794 -2.365 -2.259 1.00 0.00 H new ATOM 0 HG23 ILE B 34 6.722 -1.520 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE B 34 3.464 -0.112 -3.451 1.00 0.00 H new ATOM 0 HD12 ILE B 34 4.622 -0.794 -4.618 1.00 0.00 H new ATOM 0 HD13 ILE B 34 4.325 -1.622 -3.070 1.00 0.00 H new ATOM 1597 N LYS B 35 9.955 -0.714 -1.659 1.00 0.00 N ATOM 1598 CA LYS B 35 11.254 -1.455 -1.684 1.00 0.00 C ATOM 1599 C LYS B 35 11.092 -2.775 -0.940 1.00 0.00 C ATOM 1600 O LYS B 35 10.484 -2.839 0.111 1.00 0.00 O ATOM 1601 CB LYS B 35 12.324 -0.615 -0.988 1.00 0.00 C ATOM 1602 CG LYS B 35 12.615 0.627 -1.831 1.00 0.00 C ATOM 1603 CD LYS B 35 13.634 1.519 -1.110 1.00 0.00 C ATOM 1604 CE LYS B 35 15.044 0.926 -1.231 1.00 0.00 C ATOM 1605 NZ LYS B 35 16.046 1.950 -0.819 1.00 0.00 N ATOM 0 H LYS B 35 9.625 -0.457 -0.729 1.00 0.00 H new ATOM 0 HA LYS B 35 11.549 -1.647 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS B 35 11.985 -0.323 0.006 1.00 0.00 H new ATOM 0 HB3 LYS B 35 13.234 -1.201 -0.855 1.00 0.00 H new ATOM 0 HG2 LYS B 35 13.002 0.333 -2.807 1.00 0.00 H new ATOM 0 HG3 LYS B 35 11.693 1.182 -2.008 1.00 0.00 H new ATOM 0 HD2 LYS B 35 13.616 2.521 -1.538 1.00 0.00 H new ATOM 0 HD3 LYS B 35 13.362 1.616 -0.059 1.00 0.00 H new ATOM 0 HE2 LYS B 35 15.133 0.040 -0.603 1.00 0.00 H new ATOM 0 HE3 LYS B 35 15.231 0.610 -2.257 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 17.003 1.551 -0.900 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 15.965 2.783 -1.436 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 15.870 2.231 0.167 1.00 0.00 H new ATOM 1619 N GLY B 36 11.632 -3.828 -1.477 1.00 0.00 N ATOM 1620 CA GLY B 36 11.511 -5.146 -0.805 1.00 0.00 C ATOM 1621 C GLY B 36 12.274 -6.184 -1.619 1.00 0.00 C ATOM 1622 O GLY B 36 13.215 -5.861 -2.313 1.00 0.00 O ATOM 0 H GLY B 36 12.153 -3.833 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY B 36 11.911 -5.092 0.207 1.00 0.00 H new ATOM 0 HA3 GLY B 36 10.462 -5.431 -0.718 1.00 0.00 H new ATOM 1626 N GLU B 37 11.878 -7.429 -1.547 1.00 0.00 N ATOM 1627 CA GLU B 37 12.586 -8.492 -2.325 1.00 0.00 C ATOM 1628 C GLU B 37 11.561 -9.389 -3.018 1.00 0.00 C ATOM 1629 O GLU B 37 10.499 -9.649 -2.495 1.00 0.00 O ATOM 1630 CB GLU B 37 13.433 -9.333 -1.369 1.00 0.00 C ATOM 1631 CG GLU B 37 14.595 -8.489 -0.845 1.00 0.00 C ATOM 1632 CD GLU B 37 15.408 -9.306 0.159 1.00 0.00 C ATOM 1633 OE1 GLU B 37 14.864 -10.252 0.700 1.00 0.00 O ATOM 1634 OE2 GLU B 37 16.560 -8.967 0.372 1.00 0.00 O ATOM 0 H GLU B 37 11.094 -7.756 -0.983 1.00 0.00 H new ATOM 0 HA GLU B 37 13.227 -8.030 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU B 37 12.822 -9.686 -0.538 1.00 0.00 H new ATOM 0 HB3 GLU B 37 13.813 -10.216 -1.883 1.00 0.00 H new ATOM 0 HG2 GLU B 37 15.231 -8.173 -1.672 1.00 0.00 H new ATOM 0 HG3 GLU B 37 14.216 -7.584 -0.371 1.00 0.00 H new ATOM 1641 N LYS B 38 11.881 -9.867 -4.193 1.00 0.00 N ATOM 1642 CA LYS B 38 10.943 -10.757 -4.936 1.00 0.00 C ATOM 1643 C LYS B 38 9.623 -10.031 -5.191 1.00 0.00 C ATOM 1644 O LYS B 38 8.560 -10.544 -4.907 1.00 0.00 O ATOM 1645 CB LYS B 38 10.677 -12.029 -4.118 1.00 0.00 C ATOM 1646 CG LYS B 38 11.997 -12.672 -3.656 1.00 0.00 C ATOM 1647 CD LYS B 38 12.751 -13.277 -4.845 1.00 0.00 C ATOM 1648 CE LYS B 38 14.021 -13.971 -4.348 1.00 0.00 C ATOM 1649 NZ LYS B 38 14.712 -14.606 -5.504 1.00 0.00 N ATOM 0 H LYS B 38 12.761 -9.676 -4.673 1.00 0.00 H new ATOM 0 HA LYS B 38 11.394 -11.026 -5.891 1.00 0.00 H new ATOM 0 HB2 LYS B 38 10.063 -11.786 -3.251 1.00 0.00 H new ATOM 0 HB3 LYS B 38 10.112 -12.741 -4.719 1.00 0.00 H new ATOM 0 HG2 LYS B 38 12.620 -11.923 -3.167 1.00 0.00 H new ATOM 0 HG3 LYS B 38 11.791 -13.447 -2.918 1.00 0.00 H new ATOM 0 HD2 LYS B 38 12.114 -13.992 -5.367 1.00 0.00 H new ATOM 0 HD3 LYS B 38 13.008 -12.496 -5.561 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.680 -13.249 -3.866 1.00 0.00 H new ATOM 0 HE3 LYS B 38 13.771 -14.723 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 15.577 -15.080 -5.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 14.081 -15.305 -5.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 14.962 -13.877 -6.202 1.00 0.00 H new ATOM 1663 N LEU B 39 9.675 -8.850 -5.749 1.00 0.00 N ATOM 1664 CA LEU B 39 8.420 -8.103 -6.050 1.00 0.00 C ATOM 1665 C LEU B 39 7.952 -8.517 -7.444 1.00 0.00 C ATOM 1666 O LEU B 39 8.064 -7.769 -8.394 1.00 0.00 O ATOM 1667 CB LEU B 39 8.709 -6.596 -6.018 1.00 0.00 C ATOM 1668 CG LEU B 39 8.700 -6.110 -4.568 1.00 0.00 C ATOM 1669 CD1 LEU B 39 9.743 -6.883 -3.762 1.00 0.00 C ATOM 1670 CD2 LEU B 39 9.030 -4.617 -4.528 1.00 0.00 C ATOM 0 H LEU B 39 10.536 -8.370 -6.010 1.00 0.00 H new ATOM 0 HA LEU B 39 7.648 -8.327 -5.314 1.00 0.00 H new ATOM 0 HB2 LEU B 39 9.676 -6.390 -6.477 1.00 0.00 H new ATOM 0 HB3 LEU B 39 7.960 -6.058 -6.599 1.00 0.00 H new ATOM 0 HG LEU B 39 7.713 -6.276 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU B 39 9.735 -6.535 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU B 39 9.508 -7.947 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU B 39 10.731 -6.719 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU B 39 9.024 -4.271 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU B 39 10.017 -4.451 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU B 39 8.285 -4.064 -5.101 1.00 0.00 H new ATOM 1682 N GLY B 40 7.454 -9.722 -7.579 1.00 0.00 N ATOM 1683 CA GLY B 40 7.003 -10.213 -8.923 1.00 0.00 C ATOM 1684 C GLY B 40 5.488 -10.067 -9.056 1.00 0.00 C ATOM 1685 O GLY B 40 4.834 -9.495 -8.208 1.00 0.00 O ATOM 0 H GLY B 40 7.339 -10.389 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY B 40 7.501 -9.648 -9.711 1.00 0.00 H new ATOM 0 HA3 GLY B 40 7.288 -11.257 -9.051 1.00 0.00 H new ATOM 1764 N VAL B 51 -3.454 -4.616 -11.031 1.00 0.00 N ATOM 1765 CA VAL B 51 -2.060 -5.151 -10.913 1.00 0.00 C ATOM 1766 C VAL B 51 -1.827 -5.615 -9.475 1.00 0.00 C ATOM 1767 O VAL B 51 -2.218 -4.959 -8.532 1.00 0.00 O ATOM 1768 CB VAL B 51 -1.060 -4.042 -11.268 1.00 0.00 C ATOM 1769 CG1 VAL B 51 -1.432 -2.760 -10.524 1.00 0.00 C ATOM 1770 CG2 VAL B 51 0.359 -4.472 -10.873 1.00 0.00 C ATOM 0 HA VAL B 51 -1.923 -5.990 -11.595 1.00 0.00 H new ATOM 0 HB VAL B 51 -1.093 -3.862 -12.342 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -0.721 -1.973 -10.777 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -2.436 -2.449 -10.814 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -1.405 -2.942 -9.450 1.00 0.00 H new ATOM 0 HG21 VAL B 51 1.063 -3.680 -11.128 1.00 0.00 H new ATOM 0 HG22 VAL B 51 0.397 -4.660 -9.800 1.00 0.00 H new ATOM 0 HG23 VAL B 51 0.626 -5.382 -11.410 1.00 0.00 H new ATOM 1780 N GLU B 52 -1.196 -6.752 -9.310 1.00 0.00 N ATOM 1781 CA GLU B 52 -0.925 -7.289 -7.941 1.00 0.00 C ATOM 1782 C GLU B 52 0.575 -7.480 -7.773 1.00 0.00 C ATOM 1783 O GLU B 52 1.275 -7.786 -8.713 1.00 0.00 O ATOM 1784 CB GLU B 52 -1.621 -8.640 -7.773 1.00 0.00 C ATOM 1785 CG GLU B 52 -3.121 -8.476 -8.009 1.00 0.00 C ATOM 1786 CD GLU B 52 -3.846 -9.741 -7.553 1.00 0.00 C ATOM 1787 OE1 GLU B 52 -3.835 -10.007 -6.361 1.00 0.00 O ATOM 1788 OE2 GLU B 52 -4.396 -10.425 -8.399 1.00 0.00 O ATOM 0 H GLU B 52 -0.854 -7.336 -10.073 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.301 -6.590 -7.194 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -1.209 -9.363 -8.477 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -1.441 -9.031 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -3.495 -7.611 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -3.316 -8.292 -9.065 1.00 0.00 H new ATOM 1795 N VAL B 53 1.075 -7.300 -6.577 1.00 0.00 N ATOM 1796 CA VAL B 53 2.539 -7.470 -6.328 1.00 0.00 C ATOM 1797 C VAL B 53 2.726 -8.449 -5.175 1.00 0.00 C ATOM 1798 O VAL B 53 2.053 -8.369 -4.168 1.00 0.00 O ATOM 1799 CB VAL B 53 3.161 -6.117 -5.960 1.00 0.00 C ATOM 1800 CG1 VAL B 53 4.594 -6.324 -5.459 1.00 0.00 C ATOM 1801 CG2 VAL B 53 3.176 -5.215 -7.198 1.00 0.00 C ATOM 0 H VAL B 53 0.528 -7.041 -5.756 1.00 0.00 H new ATOM 0 HA VAL B 53 3.027 -7.852 -7.225 1.00 0.00 H new ATOM 0 HB VAL B 53 2.571 -5.649 -5.172 1.00 0.00 H new ATOM 0 HG11 VAL B 53 5.031 -5.360 -5.199 1.00 0.00 H new ATOM 0 HG12 VAL B 53 4.582 -6.967 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL B 53 5.189 -6.793 -6.243 1.00 0.00 H new ATOM 0 HG21 VAL B 53 3.617 -4.252 -6.941 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.766 -5.686 -7.984 1.00 0.00 H new ATOM 0 HG23 VAL B 53 2.156 -5.064 -7.551 1.00 0.00 H new ATOM 1811 N GLU B 54 3.638 -9.374 -5.320 1.00 0.00 N ATOM 1812 CA GLU B 54 3.896 -10.376 -4.241 1.00 0.00 C ATOM 1813 C GLU B 54 5.338 -10.234 -3.777 1.00 0.00 C ATOM 1814 O GLU B 54 6.254 -10.158 -4.579 1.00 0.00 O ATOM 1815 CB GLU B 54 3.665 -11.783 -4.797 1.00 0.00 C ATOM 1816 CG GLU B 54 4.152 -12.826 -3.787 1.00 0.00 C ATOM 1817 CD GLU B 54 3.643 -14.209 -4.193 1.00 0.00 C ATOM 1818 OE1 GLU B 54 2.677 -14.269 -4.937 1.00 0.00 O ATOM 1819 OE2 GLU B 54 4.219 -15.186 -3.743 1.00 0.00 O ATOM 0 H GLU B 54 4.222 -9.480 -6.149 1.00 0.00 H new ATOM 0 HA GLU B 54 3.223 -10.208 -3.400 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.606 -11.932 -5.006 1.00 0.00 H new ATOM 0 HB3 GLU B 54 4.196 -11.902 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU B 54 5.241 -12.826 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU B 54 3.795 -12.575 -2.788 1.00 0.00 H new ATOM 1826 N GLY B 55 5.553 -10.198 -2.489 1.00 0.00 N ATOM 1827 CA GLY B 55 6.947 -10.058 -1.974 1.00 0.00 C ATOM 1828 C GLY B 55 6.914 -9.499 -0.552 1.00 0.00 C ATOM 1829 O GLY B 55 5.860 -9.272 0.009 1.00 0.00 O ATOM 0 H GLY B 55 4.828 -10.259 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY B 55 7.448 -11.026 -1.984 1.00 0.00 H new ATOM 0 HA3 GLY B 55 7.520 -9.396 -2.623 1.00 0.00 H new ATOM 1833 N LEU B 56 8.063 -9.289 0.041 1.00 0.00 N ATOM 1834 CA LEU B 56 8.118 -8.751 1.437 1.00 0.00 C ATOM 1835 C LEU B 56 8.484 -7.261 1.406 1.00 0.00 C ATOM 1836 O LEU B 56 9.476 -6.868 0.829 1.00 0.00 O ATOM 1837 CB LEU B 56 9.179 -9.524 2.236 1.00 0.00 C ATOM 1838 CG LEU B 56 10.435 -9.788 1.364 1.00 0.00 C ATOM 1839 CD1 LEU B 56 11.695 -9.771 2.243 1.00 0.00 C ATOM 1840 CD2 LEU B 56 10.335 -11.160 0.679 1.00 0.00 C ATOM 0 H LEU B 56 8.972 -9.468 -0.385 1.00 0.00 H new ATOM 0 HA LEU B 56 7.143 -8.870 1.910 1.00 0.00 H new ATOM 0 HB2 LEU B 56 9.459 -8.956 3.123 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.764 -10.471 2.581 1.00 0.00 H new ATOM 0 HG LEU B 56 10.495 -9.006 0.607 1.00 0.00 H new ATOM 0 HD11 LEU B 56 12.573 -9.957 1.624 1.00 0.00 H new ATOM 0 HD12 LEU B 56 11.790 -8.798 2.724 1.00 0.00 H new ATOM 0 HD13 LEU B 56 11.617 -10.546 3.005 1.00 0.00 H new ATOM 0 HD21 LEU B 56 11.224 -11.329 0.071 1.00 0.00 H new ATOM 0 HD22 LEU B 56 10.259 -11.940 1.436 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.450 -11.185 0.043 1.00 0.00 H new ATOM 1852 N ILE B 57 7.693 -6.432 2.030 1.00 0.00 N ATOM 1853 CA ILE B 57 7.995 -4.972 2.042 1.00 0.00 C ATOM 1854 C ILE B 57 9.120 -4.699 3.043 1.00 0.00 C ATOM 1855 O ILE B 57 9.033 -5.060 4.197 1.00 0.00 O ATOM 1856 CB ILE B 57 6.721 -4.210 2.458 1.00 0.00 C ATOM 1857 CG1 ILE B 57 5.765 -4.114 1.263 1.00 0.00 C ATOM 1858 CG2 ILE B 57 7.064 -2.794 2.943 1.00 0.00 C ATOM 1859 CD1 ILE B 57 5.562 -5.497 0.638 1.00 0.00 C ATOM 0 H ILE B 57 6.848 -6.703 2.533 1.00 0.00 H new ATOM 0 HA ILE B 57 8.312 -4.641 1.053 1.00 0.00 H new ATOM 0 HB ILE B 57 6.247 -4.756 3.274 1.00 0.00 H new ATOM 0 HG12 ILE B 57 4.806 -3.708 1.586 1.00 0.00 H new ATOM 0 HG13 ILE B 57 6.168 -3.426 0.520 1.00 0.00 H new ATOM 0 HG21 ILE B 57 6.149 -2.276 3.231 1.00 0.00 H new ATOM 0 HG22 ILE B 57 7.732 -2.856 3.802 1.00 0.00 H new ATOM 0 HG23 ILE B 57 7.555 -2.244 2.141 1.00 0.00 H new ATOM 0 HD11 ILE B 57 4.881 -5.417 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE B 57 6.521 -5.887 0.298 1.00 0.00 H new ATOM 0 HD13 ILE B 57 5.139 -6.173 1.381 1.00 0.00 H new ATOM 1871 N ASP B 58 10.171 -4.049 2.606 1.00 0.00 N ATOM 1872 CA ASP B 58 11.308 -3.729 3.524 1.00 0.00 C ATOM 1873 C ASP B 58 11.254 -2.245 3.881 1.00 0.00 C ATOM 1874 O ASP B 58 11.774 -1.826 4.897 1.00 0.00 O ATOM 1875 CB ASP B 58 12.633 -4.053 2.832 1.00 0.00 C ATOM 1876 CG ASP B 58 13.770 -4.017 3.857 1.00 0.00 C ATOM 1877 OD1 ASP B 58 13.785 -4.879 4.723 1.00 0.00 O ATOM 1878 OD2 ASP B 58 14.604 -3.135 3.758 1.00 0.00 O ATOM 0 H ASP B 58 10.290 -3.724 1.646 1.00 0.00 H new ATOM 0 HA ASP B 58 11.231 -4.325 4.433 1.00 0.00 H new ATOM 0 HB2 ASP B 58 12.581 -5.037 2.366 1.00 0.00 H new ATOM 0 HB3 ASP B 58 12.825 -3.334 2.036 1.00 0.00 H new ATOM 1883 N ALA B 59 10.630 -1.439 3.060 1.00 0.00 N ATOM 1884 CA ALA B 59 10.553 0.015 3.374 1.00 0.00 C ATOM 1885 C ALA B 59 9.563 0.704 2.429 1.00 0.00 C ATOM 1886 O ALA B 59 9.339 0.263 1.321 1.00 0.00 O ATOM 1887 CB ALA B 59 11.942 0.641 3.205 1.00 0.00 C ATOM 0 H ALA B 59 10.175 -1.724 2.193 1.00 0.00 H new ATOM 0 HA ALA B 59 10.212 0.144 4.401 1.00 0.00 H new ATOM 0 HB1 ALA B 59 11.892 1.706 3.434 1.00 0.00 H new ATOM 0 HB2 ALA B 59 12.644 0.157 3.884 1.00 0.00 H new ATOM 0 HB3 ALA B 59 12.279 0.506 2.177 1.00 0.00 H new ATOM 1893 N LEU B 60 8.975 1.791 2.866 1.00 0.00 N ATOM 1894 CA LEU B 60 8.001 2.538 2.007 1.00 0.00 C ATOM 1895 C LEU B 60 8.376 4.020 2.028 1.00 0.00 C ATOM 1896 O LEU B 60 8.649 4.584 3.067 1.00 0.00 O ATOM 1897 CB LEU B 60 6.569 2.344 2.559 1.00 0.00 C ATOM 1898 CG LEU B 60 5.733 1.461 1.616 1.00 0.00 C ATOM 1899 CD1 LEU B 60 5.526 2.173 0.260 1.00 0.00 C ATOM 1900 CD2 LEU B 60 6.436 0.102 1.413 1.00 0.00 C ATOM 0 H LEU B 60 9.129 2.197 3.789 1.00 0.00 H new ATOM 0 HA LEU B 60 8.034 2.164 0.984 1.00 0.00 H new ATOM 0 HB2 LEU B 60 6.615 1.886 3.547 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.086 3.314 2.679 1.00 0.00 H new ATOM 0 HG LEU B 60 4.755 1.287 2.064 1.00 0.00 H new ATOM 0 HD11 LEU B 60 4.933 1.538 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU B 60 5.004 3.116 0.420 1.00 0.00 H new ATOM 0 HD13 LEU B 60 6.495 2.368 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.840 -0.520 0.745 1.00 0.00 H new ATOM 0 HD22 LEU B 60 7.421 0.264 0.976 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.544 -0.399 2.375 1.00 0.00 H new ATOM 1912 N VAL B 61 8.395 4.644 0.881 1.00 0.00 N ATOM 1913 CA VAL B 61 8.757 6.089 0.809 1.00 0.00 C ATOM 1914 C VAL B 61 7.784 6.828 -0.113 1.00 0.00 C ATOM 1915 O VAL B 61 7.623 6.475 -1.263 1.00 0.00 O ATOM 1916 CB VAL B 61 10.163 6.204 0.232 1.00 0.00 C ATOM 1917 CG1 VAL B 61 10.705 7.606 0.507 1.00 0.00 C ATOM 1918 CG2 VAL B 61 11.062 5.153 0.894 1.00 0.00 C ATOM 0 H VAL B 61 8.174 4.211 -0.016 1.00 0.00 H new ATOM 0 HA VAL B 61 8.710 6.528 1.806 1.00 0.00 H new ATOM 0 HB VAL B 61 10.143 6.034 -0.844 1.00 0.00 H new ATOM 0 HG11 VAL B 61 11.711 7.694 0.096 1.00 0.00 H new ATOM 0 HG12 VAL B 61 10.056 8.346 0.038 1.00 0.00 H new ATOM 0 HG13 VAL B 61 10.736 7.780 1.583 1.00 0.00 H new ATOM 0 HG21 VAL B 61 12.070 5.228 0.487 1.00 0.00 H new ATOM 0 HG22 VAL B 61 11.091 5.325 1.970 1.00 0.00 H new ATOM 0 HG23 VAL B 61 10.664 4.158 0.696 1.00 0.00 H new ATOM 1928 N TYR B 62 7.154 7.863 0.373 1.00 0.00 N ATOM 1929 CA TYR B 62 6.212 8.646 -0.481 1.00 0.00 C ATOM 1930 C TYR B 62 6.332 10.127 -0.087 1.00 0.00 C ATOM 1931 O TYR B 62 6.454 10.439 1.080 1.00 0.00 O ATOM 1932 CB TYR B 62 4.789 8.155 -0.225 1.00 0.00 C ATOM 1933 CG TYR B 62 3.793 9.074 -0.893 1.00 0.00 C ATOM 1934 CD1 TYR B 62 3.417 10.266 -0.265 1.00 0.00 C ATOM 1935 CD2 TYR B 62 3.227 8.721 -2.124 1.00 0.00 C ATOM 1936 CE1 TYR B 62 2.481 11.111 -0.870 1.00 0.00 C ATOM 1937 CE2 TYR B 62 2.292 9.568 -2.732 1.00 0.00 C ATOM 1938 CZ TYR B 62 1.920 10.763 -2.104 1.00 0.00 C ATOM 1939 OH TYR B 62 0.997 11.597 -2.700 1.00 0.00 O ATOM 0 H TYR B 62 7.251 8.202 1.330 1.00 0.00 H new ATOM 0 HA TYR B 62 6.449 8.521 -1.538 1.00 0.00 H new ATOM 0 HB2 TYR B 62 4.672 7.141 -0.607 1.00 0.00 H new ATOM 0 HB3 TYR B 62 4.597 8.116 0.847 1.00 0.00 H new ATOM 0 HD1 TYR B 62 3.850 10.534 0.688 1.00 0.00 H new ATOM 0 HD2 TYR B 62 3.511 7.796 -2.604 1.00 0.00 H new ATOM 0 HE1 TYR B 62 2.191 12.032 -0.385 1.00 0.00 H new ATOM 0 HE2 TYR B 62 1.858 9.300 -3.684 1.00 0.00 H new ATOM 0 HH TYR B 62 1.181 12.525 -2.443 1.00 0.00 H new ATOM 1949 N PRO B 63 6.301 11.041 -1.035 1.00 0.00 N ATOM 1950 CA PRO B 63 6.412 12.499 -0.720 1.00 0.00 C ATOM 1951 C PRO B 63 5.120 13.057 -0.108 1.00 0.00 C ATOM 1952 O PRO B 63 4.125 13.219 -0.782 1.00 0.00 O ATOM 1953 CB PRO B 63 6.685 13.137 -2.086 1.00 0.00 C ATOM 1954 CG PRO B 63 6.034 12.219 -3.072 1.00 0.00 C ATOM 1955 CD PRO B 63 6.171 10.808 -2.492 1.00 0.00 C ATOM 0 HA PRO B 63 7.187 12.704 0.019 1.00 0.00 H new ATOM 0 HB2 PRO B 63 6.266 14.142 -2.144 1.00 0.00 H new ATOM 0 HB3 PRO B 63 7.755 13.226 -2.275 1.00 0.00 H new ATOM 0 HG2 PRO B 63 4.986 12.481 -3.216 1.00 0.00 H new ATOM 0 HG3 PRO B 63 6.517 12.288 -4.047 1.00 0.00 H new ATOM 0 HD2 PRO B 63 5.301 10.193 -2.724 1.00 0.00 H new ATOM 0 HD3 PRO B 63 7.043 10.292 -2.895 1.00 0.00 H new ATOM 1963 N LEU B 64 5.142 13.362 1.163 1.00 0.00 N ATOM 1964 CA LEU B 64 3.928 13.915 1.832 1.00 0.00 C ATOM 1965 C LEU B 64 3.847 15.422 1.562 1.00 0.00 C ATOM 1966 O LEU B 64 3.030 16.116 2.129 1.00 0.00 O ATOM 1967 CB LEU B 64 3.965 13.639 3.358 1.00 0.00 C ATOM 1968 CG LEU B 64 5.411 13.534 3.893 1.00 0.00 C ATOM 1969 CD1 LEU B 64 6.101 12.230 3.416 1.00 0.00 C ATOM 1970 CD2 LEU B 64 6.218 14.781 3.474 1.00 0.00 C ATOM 0 H LEU B 64 5.954 13.251 1.770 1.00 0.00 H new ATOM 0 HA LEU B 64 3.043 13.425 1.427 1.00 0.00 H new ATOM 0 HB2 LEU B 64 3.441 14.437 3.884 1.00 0.00 H new ATOM 0 HB3 LEU B 64 3.431 12.713 3.572 1.00 0.00 H new ATOM 0 HG LEU B 64 5.373 13.493 4.982 1.00 0.00 H new ATOM 0 HD11 LEU B 64 7.116 12.190 3.811 1.00 0.00 H new ATOM 0 HD12 LEU B 64 5.538 11.368 3.774 1.00 0.00 H new ATOM 0 HD13 LEU B 64 6.135 12.214 2.327 1.00 0.00 H new ATOM 0 HD21 LEU B 64 7.236 14.700 3.855 1.00 0.00 H new ATOM 0 HD22 LEU B 64 6.241 14.851 2.386 1.00 0.00 H new ATOM 0 HD23 LEU B 64 5.747 15.674 3.885 1.00 0.00 H new