USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 780 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 20 HIS : no HE2:sc= -9.86! C(o=-8.8!,f=-15!) USER MOD Set 1.2: A 83 TYR OH : rot 8:sc= 1.04 USER MOD Set 2.1: A 37 GLN : amide:sc= -3.31 K(o=-3.1,f=-6.3!) USER MOD Set 2.2: A 46 LYS NZ :NH3+ -106:sc= 0.221 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.682 X(o=-0.68,f=-0.72) USER MOD Single : A 14 TYR OH : rot 165:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= 0.638 (180deg=0.328) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00191) USER MOD Single : A 42 ASN : amide:sc= -0.0347 K(o=-0.035,f=-1.2) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc=-0.00111 K(o=-0.0011,f=-1.4) USER MOD Single : A 48 SER OG : rot 84:sc= 0.0734 USER MOD Single : A 54 GLN :FLIP amide:sc= -0.229 F(o=-0.74,f=-0.23) USER MOD Single : A 55 GLN : amide:sc= -0.202 K(o=-0.2,f=-2.1!) USER MOD Single : A 58 ASN : amide:sc= -0.365 X(o=-0.37,f=0) USER MOD Single : A 60 ASN : amide:sc= -2.04 K(o=-2,f=-6.5!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 169:sc=-0.00111 (180deg=-0.0902) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 151:sc= -3.66! USER MOD Single : A 67 THR OG1 : rot 26:sc= 0.239 USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= 0.933 (180deg=0.774) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.083) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN :FLIP amide:sc= 0.939 F(o=-0.071,f=0.94) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 10 9.380 5.045 5.432 1.00 0.00 N ATOM 100 CA SER A 10 10.038 4.316 6.510 1.00 0.00 C ATOM 101 C SER A 10 9.384 4.625 7.853 1.00 0.00 C ATOM 102 O SER A 10 9.325 3.771 8.737 1.00 0.00 O ATOM 103 CB SER A 10 11.525 4.671 6.560 1.00 0.00 C ATOM 104 OG SER A 10 12.268 3.661 7.221 1.00 0.00 O ATOM 0 HA SER A 10 9.933 3.249 6.312 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.905 4.802 5.547 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.658 5.622 7.076 1.00 0.00 H new ATOM 0 HG SER A 10 13.216 3.910 7.239 1.00 0.00 H new ATOM 110 N GLN A 11 8.894 5.852 7.997 1.00 0.00 N ATOM 111 CA GLN A 11 8.244 6.275 9.232 1.00 0.00 C ATOM 112 C GLN A 11 6.767 5.896 9.228 1.00 0.00 C ATOM 113 O GLN A 11 6.142 5.784 10.283 1.00 0.00 O ATOM 114 CB GLN A 11 8.395 7.785 9.422 1.00 0.00 C ATOM 115 CG GLN A 11 9.758 8.199 9.953 1.00 0.00 C ATOM 116 CD GLN A 11 10.290 7.243 11.003 1.00 0.00 C ATOM 117 OE1 GLN A 11 9.667 7.039 12.045 1.00 0.00 O ATOM 118 NE2 GLN A 11 11.448 6.652 10.733 1.00 0.00 N ATOM 0 H GLN A 11 8.935 6.570 7.274 1.00 0.00 H new ATOM 0 HA GLN A 11 8.729 5.762 10.062 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.220 8.282 8.468 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.625 8.135 10.110 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.465 8.254 9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.689 9.200 10.380 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.930 6.851 9.856 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.856 5.999 11.402 1.00 0.00 H new ATOM 127 N ARG A 12 6.215 5.702 8.035 1.00 0.00 N ATOM 128 CA ARG A 12 4.810 5.337 7.893 1.00 0.00 C ATOM 129 C ARG A 12 4.603 3.852 8.175 1.00 0.00 C ATOM 130 O ARG A 12 5.484 3.023 7.947 1.00 0.00 O ATOM 131 CB ARG A 12 4.313 5.675 6.487 1.00 0.00 C ATOM 132 CG ARG A 12 4.667 7.083 6.037 1.00 0.00 C ATOM 133 CD ARG A 12 3.574 8.075 6.402 1.00 0.00 C ATOM 134 NE ARG A 12 4.110 9.410 6.657 1.00 0.00 N ATOM 135 CZ ARG A 12 3.470 10.337 7.361 1.00 0.00 C ATOM 136 NH1 ARG A 12 2.277 10.076 7.876 1.00 0.00 N ATOM 137 NH2 ARG A 12 4.023 11.528 7.549 1.00 0.00 N ATOM 0 H ARG A 12 6.719 5.791 7.153 1.00 0.00 H new ATOM 0 HA ARG A 12 4.236 5.910 8.621 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.735 4.960 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.230 5.554 6.455 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.606 7.388 6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.824 7.093 4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.845 8.125 5.593 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.044 7.722 7.287 1.00 0.00 H new ATOM 0 HE ARG A 12 5.026 9.643 6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.848 9.162 7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.788 10.789 8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.940 11.733 7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.531 12.239 8.090 1.00 0.00 H new ATOM 151 N PRO A 13 3.411 3.506 8.683 1.00 0.00 N ATOM 152 CA PRO A 13 3.060 2.120 9.007 1.00 0.00 C ATOM 153 C PRO A 13 2.887 1.259 7.760 1.00 0.00 C ATOM 154 O PRO A 13 2.303 1.696 6.769 1.00 0.00 O ATOM 155 CB PRO A 13 1.729 2.256 9.751 1.00 0.00 C ATOM 156 CG PRO A 13 1.146 3.534 9.255 1.00 0.00 C ATOM 157 CD PRO A 13 2.313 4.442 8.980 1.00 0.00 C ATOM 0 HA PRO A 13 3.840 1.627 9.587 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.071 1.413 9.541 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.880 2.282 10.830 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.558 3.370 8.352 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.477 3.972 9.996 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.115 5.108 8.140 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.543 5.072 9.839 1.00 0.00 H new ATOM 165 N TYR A 14 3.399 0.035 7.817 1.00 0.00 N ATOM 166 CA TYR A 14 3.304 -0.887 6.692 1.00 0.00 C ATOM 167 C TYR A 14 1.988 -0.697 5.943 1.00 0.00 C ATOM 168 O TYR A 14 1.976 -0.325 4.769 1.00 0.00 O ATOM 169 CB TYR A 14 3.424 -2.332 7.177 1.00 0.00 C ATOM 170 CG TYR A 14 3.896 -3.292 6.109 1.00 0.00 C ATOM 171 CD1 TYR A 14 5.031 -3.019 5.355 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.208 -4.472 5.853 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.467 -3.893 4.378 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.637 -5.352 4.879 1.00 0.00 C ATOM 175 CZ TYR A 14 4.767 -5.058 4.144 1.00 0.00 C ATOM 176 OH TYR A 14 5.196 -5.932 3.171 1.00 0.00 O ATOM 0 H TYR A 14 3.884 -0.342 8.631 1.00 0.00 H new ATOM 0 HA TYR A 14 4.125 -0.672 6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.117 -2.368 8.018 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.454 -2.663 7.549 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.582 -2.108 5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.322 -4.705 6.426 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.351 -3.665 3.801 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.091 -6.265 4.694 1.00 0.00 H new ATOM 0 HH TYR A 14 4.750 -6.797 3.289 1.00 0.00 H new ATOM 186 N ARG A 15 0.881 -0.956 6.631 1.00 0.00 N ATOM 187 CA ARG A 15 -0.441 -0.815 6.033 1.00 0.00 C ATOM 188 C ARG A 15 -0.462 0.329 5.022 1.00 0.00 C ATOM 189 O ARG A 15 -0.695 0.115 3.832 1.00 0.00 O ATOM 190 CB ARG A 15 -1.492 -0.570 7.117 1.00 0.00 C ATOM 191 CG ARG A 15 -2.759 0.091 6.599 1.00 0.00 C ATOM 192 CD ARG A 15 -3.921 -0.103 7.560 1.00 0.00 C ATOM 193 NE ARG A 15 -3.996 0.966 8.553 1.00 0.00 N ATOM 194 CZ ARG A 15 -4.849 0.966 9.571 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.697 -0.041 9.729 1.00 0.00 N ATOM 196 NH2 ARG A 15 -4.856 1.975 10.433 1.00 0.00 N ATOM 0 H ARG A 15 0.873 -1.265 7.603 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.676 -1.743 5.512 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.752 -1.522 7.580 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.058 0.056 7.897 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.581 1.156 6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.017 -0.326 5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.854 -0.141 6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.815 -1.062 8.067 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.358 1.756 8.459 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.695 -0.818 9.068 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.351 -0.039 10.512 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.206 2.752 10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.512 1.974 11.214 1.00 0.00 H new ATOM 210 N ASP A 16 -0.217 1.542 5.505 1.00 0.00 N ATOM 211 CA ASP A 16 -0.206 2.719 4.644 1.00 0.00 C ATOM 212 C ASP A 16 0.590 2.454 3.370 1.00 0.00 C ATOM 213 O ASP A 16 0.097 2.668 2.262 1.00 0.00 O ATOM 214 CB ASP A 16 0.385 3.917 5.389 1.00 0.00 C ATOM 215 CG ASP A 16 -0.676 4.745 6.087 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.592 5.239 5.398 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.590 4.898 7.324 1.00 0.00 O ATOM 0 H ASP A 16 -0.023 1.736 6.487 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.236 2.945 4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.108 3.563 6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.929 4.547 4.685 1.00 0.00 H new ATOM 222 N ARG A 17 1.823 1.987 3.535 1.00 0.00 N ATOM 223 CA ARG A 17 2.688 1.694 2.398 1.00 0.00 C ATOM 224 C ARG A 17 2.059 0.639 1.494 1.00 0.00 C ATOM 225 O ARG A 17 2.304 0.613 0.288 1.00 0.00 O ATOM 226 CB ARG A 17 4.058 1.215 2.882 1.00 0.00 C ATOM 227 CG ARG A 17 4.701 2.141 3.901 1.00 0.00 C ATOM 228 CD ARG A 17 5.817 1.443 4.663 1.00 0.00 C ATOM 229 NE ARG A 17 6.932 1.082 3.791 1.00 0.00 N ATOM 230 CZ ARG A 17 8.097 0.628 4.238 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.300 0.480 5.539 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.063 0.321 3.381 1.00 0.00 N ATOM 0 H ARG A 17 2.246 1.803 4.445 1.00 0.00 H new ATOM 0 HA ARG A 17 2.814 2.612 1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.953 0.223 3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.723 1.115 2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.099 3.020 3.395 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.945 2.493 4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.176 2.096 5.459 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.424 0.545 5.140 1.00 0.00 H new ATOM 0 HE ARG A 17 6.809 1.184 2.784 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.560 0.715 6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.196 0.131 5.879 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.911 0.434 2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.958 -0.028 3.725 1.00 0.00 H new ATOM 246 N VAL A 18 1.246 -0.232 2.085 1.00 0.00 N ATOM 247 CA VAL A 18 0.581 -1.289 1.333 1.00 0.00 C ATOM 248 C VAL A 18 -0.583 -0.736 0.518 1.00 0.00 C ATOM 249 O VAL A 18 -0.644 -0.918 -0.698 1.00 0.00 O ATOM 250 CB VAL A 18 0.058 -2.398 2.266 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.819 -3.373 1.497 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.218 -3.122 2.933 1.00 0.00 C ATOM 0 H VAL A 18 1.033 -0.226 3.082 1.00 0.00 H new ATOM 0 HA VAL A 18 1.325 -1.712 0.658 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.550 -1.938 3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.179 -4.149 2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.669 -2.840 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.239 -3.830 0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.831 -3.902 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.854 -3.571 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.801 -2.412 3.519 1.00 0.00 H new ATOM 262 N ILE A 19 -1.503 -0.058 1.196 1.00 0.00 N ATOM 263 CA ILE A 19 -2.665 0.523 0.534 1.00 0.00 C ATOM 264 C ILE A 19 -2.247 1.594 -0.469 1.00 0.00 C ATOM 265 O ILE A 19 -2.779 1.662 -1.577 1.00 0.00 O ATOM 266 CB ILE A 19 -3.641 1.142 1.552 1.00 0.00 C ATOM 267 CG1 ILE A 19 -3.064 2.441 2.120 1.00 0.00 C ATOM 268 CG2 ILE A 19 -3.938 0.154 2.670 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.938 3.078 3.178 1.00 0.00 C ATOM 0 H ILE A 19 -1.466 0.103 2.203 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.168 -0.288 0.008 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.576 1.374 1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.082 2.237 2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.917 3.151 1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.629 0.606 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.387 -0.746 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.011 -0.107 3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.467 3.994 3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.913 3.314 2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.064 2.386 4.011 1.00 0.00 H new ATOM 281 N HIS A 20 -1.291 2.427 -0.072 1.00 0.00 N ATOM 282 CA HIS A 20 -0.799 3.494 -0.938 1.00 0.00 C ATOM 283 C HIS A 20 -0.344 2.935 -2.282 1.00 0.00 C ATOM 284 O HIS A 20 -0.402 3.622 -3.303 1.00 0.00 O ATOM 285 CB HIS A 20 0.355 4.236 -0.263 1.00 0.00 C ATOM 286 CG HIS A 20 -0.092 5.342 0.643 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.010 5.278 2.016 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.644 6.546 0.364 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.461 6.393 2.543 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.864 7.180 1.562 1.00 0.00 N ATOM 0 H HIS A 20 -0.841 2.385 0.843 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.617 4.193 -1.113 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.947 3.524 0.312 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.009 4.649 -1.031 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.390 4.492 2.543 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.869 6.935 -0.618 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.509 6.623 3.597 1.00 0.00 H new ATOM 298 N LEU A 21 0.110 1.687 -2.276 1.00 0.00 N ATOM 299 CA LEU A 21 0.577 1.036 -3.496 1.00 0.00 C ATOM 300 C LEU A 21 -0.592 0.452 -4.282 1.00 0.00 C ATOM 301 O LEU A 21 -0.707 0.660 -5.491 1.00 0.00 O ATOM 302 CB LEU A 21 1.581 -0.067 -3.157 1.00 0.00 C ATOM 303 CG LEU A 21 2.961 0.401 -2.695 1.00 0.00 C ATOM 304 CD1 LEU A 21 3.784 -0.776 -2.194 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.686 1.119 -3.823 1.00 0.00 C ATOM 0 H LEU A 21 0.165 1.105 -1.440 1.00 0.00 H new ATOM 0 HA LEU A 21 1.068 1.787 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.152 -0.694 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.709 -0.697 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 21 2.828 1.102 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.763 -0.423 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.272 -1.247 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.908 -1.502 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.666 1.445 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.807 0.441 -4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.105 1.987 -4.135 1.00 0.00 H new ATOM 317 N LEU A 22 -1.459 -0.279 -3.589 1.00 0.00 N ATOM 318 CA LEU A 22 -2.621 -0.892 -4.222 1.00 0.00 C ATOM 319 C LEU A 22 -3.574 0.172 -4.758 1.00 0.00 C ATOM 320 O LEU A 22 -4.307 -0.064 -5.718 1.00 0.00 O ATOM 321 CB LEU A 22 -3.353 -1.793 -3.225 1.00 0.00 C ATOM 322 CG LEU A 22 -2.628 -3.079 -2.825 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.194 -3.628 -1.525 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.731 -4.116 -3.934 1.00 0.00 C ATOM 0 H LEU A 22 -1.379 -0.461 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.272 -1.496 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.552 -1.216 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.320 -2.062 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.575 -2.846 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.666 -4.543 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.068 -2.890 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.254 -3.845 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.210 -5.024 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.780 -4.345 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.277 -3.722 -4.844 1.00 0.00 H new ATOM 336 N ALA A 23 -3.556 1.344 -4.132 1.00 0.00 N ATOM 337 CA ALA A 23 -4.415 2.445 -4.549 1.00 0.00 C ATOM 338 C ALA A 23 -4.291 2.702 -6.047 1.00 0.00 C ATOM 339 O ALA A 23 -5.239 2.492 -6.804 1.00 0.00 O ATOM 340 CB ALA A 23 -4.076 3.705 -3.765 1.00 0.00 C ATOM 0 H ALA A 23 -2.956 1.555 -3.335 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.448 2.167 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.725 4.519 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.224 3.522 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.036 3.977 -3.946 1.00 0.00 H new ATOM 346 N LEU A 24 -3.116 3.158 -6.468 1.00 0.00 N ATOM 347 CA LEU A 24 -2.868 3.445 -7.877 1.00 0.00 C ATOM 348 C LEU A 24 -3.481 2.369 -8.768 1.00 0.00 C ATOM 349 O LEU A 24 -4.210 2.670 -9.713 1.00 0.00 O ATOM 350 CB LEU A 24 -1.364 3.545 -8.140 1.00 0.00 C ATOM 351 CG LEU A 24 -0.662 4.774 -7.561 1.00 0.00 C ATOM 352 CD1 LEU A 24 0.842 4.673 -7.761 1.00 0.00 C ATOM 353 CD2 LEU A 24 -1.203 6.046 -8.196 1.00 0.00 C ATOM 0 H LEU A 24 -2.321 3.337 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.337 4.399 -8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.885 2.653 -7.736 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.202 3.533 -9.218 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.863 4.813 -6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.325 5.556 -7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.217 3.782 -7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.064 4.608 -8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.692 6.910 -7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.033 6.016 -9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.272 6.124 -8.000 1.00 0.00 H new ATOM 365 N LYS A 25 -3.182 1.111 -8.459 1.00 0.00 N ATOM 366 CA LYS A 25 -3.705 -0.011 -9.228 1.00 0.00 C ATOM 367 C LYS A 25 -3.618 -1.307 -8.428 1.00 0.00 C ATOM 368 O LYS A 25 -3.034 -1.341 -7.346 1.00 0.00 O ATOM 369 CB LYS A 25 -2.935 -0.158 -10.543 1.00 0.00 C ATOM 370 CG LYS A 25 -1.537 -0.725 -10.369 1.00 0.00 C ATOM 371 CD LYS A 25 -0.964 -1.213 -11.689 1.00 0.00 C ATOM 372 CE LYS A 25 0.084 -2.294 -11.476 1.00 0.00 C ATOM 373 NZ LYS A 25 1.095 -2.309 -12.570 1.00 0.00 N ATOM 0 H LYS A 25 -2.580 0.844 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.753 0.189 -9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.499 -0.805 -11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.865 0.817 -11.024 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.883 0.039 -9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.564 -1.549 -9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.768 -1.602 -12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.520 -0.375 -12.226 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.584 -2.132 -10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.404 -3.267 -11.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.792 -3.059 -12.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.621 -2.489 -13.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.579 -1.389 -12.608 1.00 0.00 H new ATOM 387 N ALA A 26 -4.202 -2.371 -8.969 1.00 0.00 N ATOM 388 CA ALA A 26 -4.187 -3.670 -8.307 1.00 0.00 C ATOM 389 C ALA A 26 -2.787 -4.276 -8.318 1.00 0.00 C ATOM 390 O ALA A 26 -2.103 -4.264 -9.342 1.00 0.00 O ATOM 391 CB ALA A 26 -5.178 -4.613 -8.973 1.00 0.00 C ATOM 0 H ALA A 26 -4.691 -2.359 -9.864 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.483 -3.524 -7.268 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.156 -5.579 -8.469 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.181 -4.192 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.907 -4.745 -10.021 1.00 0.00 H new ATOM 397 N TYR A 27 -2.367 -4.804 -7.174 1.00 0.00 N ATOM 398 CA TYR A 27 -1.047 -5.412 -7.052 1.00 0.00 C ATOM 399 C TYR A 27 -1.152 -6.838 -6.522 1.00 0.00 C ATOM 400 O TYR A 27 -2.108 -7.189 -5.832 1.00 0.00 O ATOM 401 CB TYR A 27 -0.162 -4.576 -6.127 1.00 0.00 C ATOM 402 CG TYR A 27 0.629 -3.508 -6.847 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.037 -2.307 -7.218 1.00 0.00 C ATOM 404 CD2 TYR A 27 1.971 -3.699 -7.157 1.00 0.00 C ATOM 405 CE1 TYR A 27 0.755 -1.329 -7.878 1.00 0.00 C ATOM 406 CE2 TYR A 27 2.698 -2.726 -7.815 1.00 0.00 C ATOM 407 CZ TYR A 27 2.086 -1.543 -8.174 1.00 0.00 C ATOM 408 OH TYR A 27 2.805 -0.571 -8.829 1.00 0.00 O ATOM 0 H TYR A 27 -2.921 -4.823 -6.318 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.596 -5.445 -8.044 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.787 -4.104 -5.369 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.529 -5.237 -5.604 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.004 -2.135 -6.986 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.453 -4.624 -6.878 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.278 -0.402 -8.161 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.740 -2.891 -8.047 1.00 0.00 H new ATOM 0 HH TYR A 27 3.726 -0.878 -8.960 1.00 0.00 H new ATOM 418 N LYS A 28 -0.159 -7.658 -6.851 1.00 0.00 N ATOM 419 CA LYS A 28 -0.135 -9.047 -6.409 1.00 0.00 C ATOM 420 C LYS A 28 0.717 -9.204 -5.153 1.00 0.00 C ATOM 421 O LYS A 28 1.687 -8.472 -4.954 1.00 0.00 O ATOM 422 CB LYS A 28 0.405 -9.949 -7.521 1.00 0.00 C ATOM 423 CG LYS A 28 -0.397 -9.875 -8.808 1.00 0.00 C ATOM 424 CD LYS A 28 0.156 -8.818 -9.750 1.00 0.00 C ATOM 425 CE LYS A 28 -0.927 -8.265 -10.663 1.00 0.00 C ATOM 426 NZ LYS A 28 -0.356 -7.677 -11.907 1.00 0.00 N ATOM 0 H LYS A 28 0.640 -7.384 -7.423 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.157 -9.344 -6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.439 -9.674 -7.731 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.415 -10.980 -7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.384 -10.847 -9.302 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.438 -9.649 -8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.595 -8.006 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.956 -9.248 -10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.624 -9.062 -10.924 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.498 -7.504 -10.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.019 -6.976 -12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.549 -7.213 -11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.199 -8.430 -12.607 1.00 0.00 H new ATOM 440 N LYS A 29 0.350 -10.163 -4.310 1.00 0.00 N ATOM 441 CA LYS A 29 1.083 -10.419 -3.076 1.00 0.00 C ATOM 442 C LYS A 29 2.579 -10.205 -3.276 1.00 0.00 C ATOM 443 O LYS A 29 3.223 -9.440 -2.558 1.00 0.00 O ATOM 444 CB LYS A 29 0.821 -11.846 -2.589 1.00 0.00 C ATOM 445 CG LYS A 29 1.868 -12.358 -1.616 1.00 0.00 C ATOM 446 CD LYS A 29 1.530 -11.981 -0.183 1.00 0.00 C ATOM 447 CE LYS A 29 2.785 -11.762 0.647 1.00 0.00 C ATOM 448 NZ LYS A 29 3.543 -13.028 0.852 1.00 0.00 N ATOM 0 H LYS A 29 -0.451 -10.776 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 29 0.732 -9.714 -2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.157 -11.884 -2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.780 -12.513 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.944 -13.442 -1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.843 -11.949 -1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.926 -11.074 -0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.927 -12.768 0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.425 -11.032 0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.512 -11.342 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.391 -12.836 1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.941 -13.717 1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.826 -13.416 -0.070 1.00 0.00 H new ATOM 462 N PRO A 30 3.148 -10.894 -4.277 1.00 0.00 N ATOM 463 CA PRO A 30 4.575 -10.795 -4.596 1.00 0.00 C ATOM 464 C PRO A 30 4.942 -9.439 -5.191 1.00 0.00 C ATOM 465 O PRO A 30 5.882 -8.787 -4.737 1.00 0.00 O ATOM 466 CB PRO A 30 4.786 -11.906 -5.628 1.00 0.00 C ATOM 467 CG PRO A 30 3.448 -12.100 -6.255 1.00 0.00 C ATOM 468 CD PRO A 30 2.440 -11.824 -5.173 1.00 0.00 C ATOM 0 HA PRO A 30 5.199 -10.895 -3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.533 -11.621 -6.369 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.139 -12.823 -5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.310 -11.423 -7.098 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.340 -13.114 -6.639 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.530 -11.380 -5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.147 -12.737 -4.654 1.00 0.00 H new ATOM 476 N GLU A 31 4.195 -9.022 -6.208 1.00 0.00 N ATOM 477 CA GLU A 31 4.444 -7.744 -6.864 1.00 0.00 C ATOM 478 C GLU A 31 4.429 -6.601 -5.853 1.00 0.00 C ATOM 479 O GLU A 31 5.440 -5.932 -5.639 1.00 0.00 O ATOM 480 CB GLU A 31 3.399 -7.491 -7.952 1.00 0.00 C ATOM 481 CG GLU A 31 3.824 -6.452 -8.976 1.00 0.00 C ATOM 482 CD GLU A 31 3.216 -6.698 -10.343 1.00 0.00 C ATOM 483 OE1 GLU A 31 1.972 -6.685 -10.450 1.00 0.00 O ATOM 484 OE2 GLU A 31 3.984 -6.902 -11.306 1.00 0.00 O ATOM 0 H GLU A 31 3.413 -9.550 -6.595 1.00 0.00 H new ATOM 0 HA GLU A 31 5.432 -7.787 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.187 -8.429 -8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.470 -7.167 -7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.533 -5.462 -8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.911 -6.453 -9.060 1.00 0.00 H new ATOM 491 N LEU A 32 3.273 -6.383 -5.234 1.00 0.00 N ATOM 492 CA LEU A 32 3.124 -5.321 -4.245 1.00 0.00 C ATOM 493 C LEU A 32 4.388 -5.178 -3.404 1.00 0.00 C ATOM 494 O LEU A 32 4.854 -4.067 -3.146 1.00 0.00 O ATOM 495 CB LEU A 32 1.925 -5.605 -3.339 1.00 0.00 C ATOM 496 CG LEU A 32 1.203 -4.381 -2.776 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.167 -4.799 -1.744 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.202 -3.406 -2.168 1.00 0.00 C ATOM 0 H LEU A 32 2.426 -6.927 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 32 2.956 -4.385 -4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.205 -6.200 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.264 -6.218 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 32 0.687 -3.879 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.336 -3.914 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.566 -5.458 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.660 -5.325 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.671 -2.540 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.746 -3.898 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.905 -3.081 -2.934 1.00 0.00 H new ATOM 510 N LEU A 33 4.942 -6.309 -2.980 1.00 0.00 N ATOM 511 CA LEU A 33 6.154 -6.311 -2.170 1.00 0.00 C ATOM 512 C LEU A 33 7.308 -5.646 -2.914 1.00 0.00 C ATOM 513 O LEU A 33 7.889 -4.672 -2.436 1.00 0.00 O ATOM 514 CB LEU A 33 6.535 -7.743 -1.790 1.00 0.00 C ATOM 515 CG LEU A 33 5.873 -8.302 -0.530 1.00 0.00 C ATOM 516 CD1 LEU A 33 5.885 -9.823 -0.551 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.572 -7.779 0.716 1.00 0.00 C ATOM 0 H LEU A 33 4.570 -7.237 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 33 5.955 -5.741 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.289 -8.397 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.616 -7.787 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 33 4.836 -7.967 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.410 -10.203 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.339 -10.179 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.915 -10.178 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.088 -8.187 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.618 -8.084 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.511 -6.691 0.738 1.00 0.00 H new ATOM 529 N ALA A 34 7.633 -6.179 -4.088 1.00 0.00 N ATOM 530 CA ALA A 34 8.714 -5.634 -4.901 1.00 0.00 C ATOM 531 C ALA A 34 8.801 -4.119 -4.754 1.00 0.00 C ATOM 532 O ALA A 34 9.892 -3.547 -4.764 1.00 0.00 O ATOM 533 CB ALA A 34 8.519 -6.015 -6.361 1.00 0.00 C ATOM 0 H ALA A 34 7.163 -6.987 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 34 9.653 -6.061 -4.548 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.333 -5.602 -6.957 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.515 -7.101 -6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.569 -5.616 -6.718 1.00 0.00 H new ATOM 539 N ARG A 35 7.647 -3.475 -4.617 1.00 0.00 N ATOM 540 CA ARG A 35 7.594 -2.025 -4.470 1.00 0.00 C ATOM 541 C ARG A 35 8.112 -1.598 -3.099 1.00 0.00 C ATOM 542 O ARG A 35 8.929 -0.683 -2.990 1.00 0.00 O ATOM 543 CB ARG A 35 6.162 -1.523 -4.665 1.00 0.00 C ATOM 544 CG ARG A 35 5.813 -1.225 -6.114 1.00 0.00 C ATOM 545 CD ARG A 35 6.552 0.002 -6.624 1.00 0.00 C ATOM 546 NE ARG A 35 6.261 0.271 -8.029 1.00 0.00 N ATOM 547 CZ ARG A 35 6.875 -0.340 -9.037 1.00 0.00 C ATOM 548 NH1 ARG A 35 7.808 -1.250 -8.795 1.00 0.00 N ATOM 549 NH2 ARG A 35 6.555 -0.041 -10.289 1.00 0.00 N ATOM 0 H ARG A 35 6.736 -3.934 -4.605 1.00 0.00 H new ATOM 0 HA ARG A 35 8.234 -1.584 -5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.468 -2.270 -4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.019 -0.619 -4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.063 -2.086 -6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.738 -1.068 -6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.274 0.868 -6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.625 -0.142 -6.497 1.00 0.00 H new ATOM 0 HE ARG A 35 5.547 0.966 -8.249 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.056 -1.483 -7.833 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.278 -1.718 -9.570 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.837 0.658 -10.479 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.027 -0.510 -11.062 1.00 0.00 H new ATOM 563 N LEU A 36 7.632 -2.267 -2.057 1.00 0.00 N ATOM 564 CA LEU A 36 8.045 -1.957 -0.693 1.00 0.00 C ATOM 565 C LEU A 36 9.448 -2.487 -0.415 1.00 0.00 C ATOM 566 O LEU A 36 10.331 -1.741 0.007 1.00 0.00 O ATOM 567 CB LEU A 36 7.055 -2.553 0.309 1.00 0.00 C ATOM 568 CG LEU A 36 5.592 -2.147 0.130 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.671 -3.161 0.791 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.351 -0.756 0.697 1.00 0.00 C ATOM 0 H LEU A 36 6.956 -3.028 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 36 8.057 -0.873 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.119 -3.640 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.370 -2.269 1.313 1.00 0.00 H new ATOM 0 HG LEU A 36 5.369 -2.126 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.634 -2.855 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.824 -4.141 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.895 -3.215 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.304 -0.484 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.592 -0.750 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.984 -0.037 0.177 1.00 0.00 H new ATOM 582 N GLN A 37 9.646 -3.779 -0.659 1.00 0.00 N ATOM 583 CA GLN A 37 10.943 -4.408 -0.436 1.00 0.00 C ATOM 584 C GLN A 37 12.074 -3.513 -0.931 1.00 0.00 C ATOM 585 O GLN A 37 13.199 -3.586 -0.438 1.00 0.00 O ATOM 586 CB GLN A 37 11.003 -5.764 -1.142 1.00 0.00 C ATOM 587 CG GLN A 37 10.336 -6.886 -0.363 1.00 0.00 C ATOM 588 CD GLN A 37 11.321 -7.689 0.462 1.00 0.00 C ATOM 589 OE1 GLN A 37 11.358 -8.918 0.383 1.00 0.00 O ATOM 590 NE2 GLN A 37 12.127 -6.999 1.261 1.00 0.00 N ATOM 0 H GLN A 37 8.926 -4.410 -1.011 1.00 0.00 H new ATOM 0 HA GLN A 37 11.067 -4.559 0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.526 -5.677 -2.118 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.046 -6.026 -1.319 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.576 -6.465 0.295 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.823 -7.551 -1.058 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.062 -5.982 1.295 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.811 -7.486 1.840 1.00 0.00 H new ATOM 599 N LYS A 38 11.768 -2.668 -1.910 1.00 0.00 N ATOM 600 CA LYS A 38 12.758 -1.757 -2.472 1.00 0.00 C ATOM 601 C LYS A 38 13.299 -0.814 -1.403 1.00 0.00 C ATOM 602 O LYS A 38 14.508 -0.742 -1.179 1.00 0.00 O ATOM 603 CB LYS A 38 12.145 -0.948 -3.618 1.00 0.00 C ATOM 604 CG LYS A 38 12.092 -1.703 -4.935 1.00 0.00 C ATOM 605 CD LYS A 38 10.961 -1.204 -5.818 1.00 0.00 C ATOM 606 CE LYS A 38 11.381 0.012 -6.630 1.00 0.00 C ATOM 607 NZ LYS A 38 10.662 0.086 -7.931 1.00 0.00 N ATOM 0 H LYS A 38 10.842 -2.595 -2.331 1.00 0.00 H new ATOM 0 HA LYS A 38 13.585 -2.353 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.135 -0.648 -3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.722 -0.034 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.041 -1.590 -5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.960 -2.767 -4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.645 -2.001 -6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.100 -0.950 -5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.186 0.917 -6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.455 -0.025 -6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.989 0.919 -8.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.855 -0.774 -8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.639 0.165 -7.759 1.00 0.00 H new ATOM 621 N ASP A 39 12.398 -0.094 -0.744 1.00 0.00 N ATOM 622 CA ASP A 39 12.785 0.843 0.304 1.00 0.00 C ATOM 623 C ASP A 39 13.067 0.109 1.611 1.00 0.00 C ATOM 624 O ASP A 39 13.644 0.674 2.539 1.00 0.00 O ATOM 625 CB ASP A 39 11.686 1.886 0.517 1.00 0.00 C ATOM 626 CG ASP A 39 11.830 3.075 -0.412 1.00 0.00 C ATOM 627 OD1 ASP A 39 12.924 3.677 -0.440 1.00 0.00 O ATOM 628 OD2 ASP A 39 10.848 3.406 -1.110 1.00 0.00 O ATOM 0 H ASP A 39 11.394 -0.141 -0.917 1.00 0.00 H new ATOM 0 HA ASP A 39 13.697 1.348 -0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.713 1.421 0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.712 2.231 1.551 1.00 0.00 H new ATOM 633 N GLY A 40 12.654 -1.153 1.677 1.00 0.00 N ATOM 634 CA GLY A 40 12.870 -1.943 2.875 1.00 0.00 C ATOM 635 C GLY A 40 11.592 -2.569 3.395 1.00 0.00 C ATOM 636 O GLY A 40 10.575 -1.891 3.544 1.00 0.00 O ATOM 0 H GLY A 40 12.174 -1.642 0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.595 -2.728 2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.303 -1.311 3.650 1.00 0.00 H new ATOM 640 N VAL A 41 11.640 -3.869 3.671 1.00 0.00 N ATOM 641 CA VAL A 41 10.477 -4.587 4.176 1.00 0.00 C ATOM 642 C VAL A 41 10.873 -5.576 5.267 1.00 0.00 C ATOM 643 O VAL A 41 11.606 -6.532 5.015 1.00 0.00 O ATOM 644 CB VAL A 41 9.752 -5.346 3.049 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.776 -6.358 3.628 1.00 0.00 C ATOM 646 CG2 VAL A 41 9.037 -4.371 2.126 1.00 0.00 C ATOM 0 H VAL A 41 12.473 -4.446 3.553 1.00 0.00 H new ATOM 0 HA VAL A 41 9.801 -3.841 4.594 1.00 0.00 H new ATOM 0 HB VAL A 41 10.494 -5.888 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.273 -6.884 2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.318 -7.075 4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.036 -5.841 4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.530 -4.924 1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.305 -3.800 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.763 -3.689 1.684 1.00 0.00 H new ATOM 656 N ASN A 42 10.382 -5.340 6.479 1.00 0.00 N ATOM 657 CA ASN A 42 10.685 -6.211 7.609 1.00 0.00 C ATOM 658 C ASN A 42 10.181 -7.628 7.354 1.00 0.00 C ATOM 659 O ASN A 42 9.233 -7.833 6.597 1.00 0.00 O ATOM 660 CB ASN A 42 10.056 -5.657 8.889 1.00 0.00 C ATOM 661 CG ASN A 42 10.985 -4.712 9.627 1.00 0.00 C ATOM 662 OD1 ASN A 42 11.987 -4.254 9.079 1.00 0.00 O ATOM 663 ND2 ASN A 42 10.654 -4.416 10.879 1.00 0.00 N ATOM 0 H ASN A 42 9.773 -4.553 6.704 1.00 0.00 H new ATOM 0 HA ASN A 42 11.768 -6.246 7.729 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.133 -5.134 8.640 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.787 -6.484 9.546 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.240 -3.786 11.426 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.814 -4.819 11.293 1.00 0.00 H new ATOM 670 N GLN A 43 10.823 -8.602 7.992 1.00 0.00 N ATOM 671 CA GLN A 43 10.440 -10.000 7.834 1.00 0.00 C ATOM 672 C GLN A 43 9.157 -10.303 8.601 1.00 0.00 C ATOM 673 O GLN A 43 8.266 -10.988 8.097 1.00 0.00 O ATOM 674 CB GLN A 43 11.565 -10.917 8.316 1.00 0.00 C ATOM 675 CG GLN A 43 11.591 -12.267 7.618 1.00 0.00 C ATOM 676 CD GLN A 43 12.922 -12.977 7.770 1.00 0.00 C ATOM 677 OE1 GLN A 43 13.783 -12.548 8.539 1.00 0.00 O ATOM 678 NE2 GLN A 43 13.097 -14.070 7.036 1.00 0.00 N ATOM 0 H GLN A 43 11.610 -8.449 8.623 1.00 0.00 H new ATOM 0 HA GLN A 43 10.260 -10.184 6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.521 -10.418 8.159 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.459 -11.074 9.389 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.799 -12.897 8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.377 -12.128 6.558 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.356 -14.389 6.412 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.972 -14.590 7.096 1.00 0.00 H new ATOM 687 N LYS A 44 9.068 -9.788 9.822 1.00 0.00 N ATOM 688 CA LYS A 44 7.894 -10.002 10.660 1.00 0.00 C ATOM 689 C LYS A 44 6.636 -9.472 9.979 1.00 0.00 C ATOM 690 O LYS A 44 5.531 -9.950 10.236 1.00 0.00 O ATOM 691 CB LYS A 44 8.079 -9.319 12.017 1.00 0.00 C ATOM 692 CG LYS A 44 8.420 -7.843 11.913 1.00 0.00 C ATOM 693 CD LYS A 44 9.169 -7.356 13.142 1.00 0.00 C ATOM 694 CE LYS A 44 10.662 -7.622 13.027 1.00 0.00 C ATOM 695 NZ LYS A 44 11.310 -7.731 14.363 1.00 0.00 N ATOM 0 H LYS A 44 9.796 -9.219 10.254 1.00 0.00 H new ATOM 0 HA LYS A 44 7.778 -11.075 10.813 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.164 -9.432 12.599 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.871 -9.829 12.566 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.027 -7.671 11.024 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.504 -7.265 11.791 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.998 -6.288 13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.777 -7.854 14.029 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.825 -8.544 12.468 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.132 -6.818 12.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.327 -7.912 14.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.177 -6.843 14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.880 -8.514 14.895 1.00 0.00 H new ATOM 709 N ASP A 45 6.811 -8.483 9.110 1.00 0.00 N ATOM 710 CA ASP A 45 5.691 -7.890 8.390 1.00 0.00 C ATOM 711 C ASP A 45 5.391 -8.670 7.113 1.00 0.00 C ATOM 712 O ASP A 45 4.231 -8.848 6.740 1.00 0.00 O ATOM 713 CB ASP A 45 5.990 -6.429 8.051 1.00 0.00 C ATOM 714 CG ASP A 45 5.705 -5.496 9.211 1.00 0.00 C ATOM 715 OD1 ASP A 45 6.091 -5.831 10.351 1.00 0.00 O ATOM 716 OD2 ASP A 45 5.098 -4.430 8.979 1.00 0.00 O ATOM 0 H ASP A 45 7.719 -8.075 8.887 1.00 0.00 H new ATOM 0 HA ASP A 45 4.814 -7.933 9.035 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.036 -6.333 7.760 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.391 -6.129 7.191 1.00 0.00 H new ATOM 721 N LYS A 46 6.443 -9.131 6.447 1.00 0.00 N ATOM 722 CA LYS A 46 6.295 -9.892 5.212 1.00 0.00 C ATOM 723 C LYS A 46 5.099 -10.836 5.295 1.00 0.00 C ATOM 724 O LYS A 46 4.347 -10.986 4.334 1.00 0.00 O ATOM 725 CB LYS A 46 7.568 -10.690 4.924 1.00 0.00 C ATOM 726 CG LYS A 46 8.611 -9.909 4.143 1.00 0.00 C ATOM 727 CD LYS A 46 9.836 -10.757 3.845 1.00 0.00 C ATOM 728 CE LYS A 46 10.911 -9.953 3.130 1.00 0.00 C ATOM 729 NZ LYS A 46 11.955 -10.831 2.533 1.00 0.00 N ATOM 0 H LYS A 46 7.409 -8.991 6.742 1.00 0.00 H new ATOM 0 HA LYS A 46 6.124 -9.187 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.003 -11.018 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.305 -11.588 4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.177 -9.555 3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.907 -9.027 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.238 -11.157 4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.549 -11.610 3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.452 -9.350 2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.376 -9.262 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.825 -10.771 3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.616 -11.814 2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.154 -10.522 1.560 1.00 0.00 H new ATOM 743 N ASN A 47 4.931 -11.469 6.452 1.00 0.00 N ATOM 744 CA ASN A 47 3.826 -12.398 6.660 1.00 0.00 C ATOM 745 C ASN A 47 2.528 -11.646 6.941 1.00 0.00 C ATOM 746 O ASN A 47 1.454 -12.055 6.501 1.00 0.00 O ATOM 747 CB ASN A 47 4.140 -13.345 7.820 1.00 0.00 C ATOM 748 CG ASN A 47 5.178 -14.387 7.450 1.00 0.00 C ATOM 749 OD1 ASN A 47 5.885 -14.249 6.452 1.00 0.00 O ATOM 750 ND2 ASN A 47 5.274 -15.438 8.256 1.00 0.00 N ATOM 0 H ASN A 47 5.545 -11.356 7.259 1.00 0.00 H new ATOM 0 HA ASN A 47 3.698 -12.981 5.748 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.498 -12.766 8.672 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.224 -13.844 8.136 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.954 -16.172 8.058 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.667 -15.511 9.073 1.00 0.00 H new ATOM 757 N SER A 48 2.637 -10.544 7.676 1.00 0.00 N ATOM 758 CA SER A 48 1.472 -9.736 8.019 1.00 0.00 C ATOM 759 C SER A 48 0.862 -9.107 6.770 1.00 0.00 C ATOM 760 O SER A 48 -0.317 -8.749 6.754 1.00 0.00 O ATOM 761 CB SER A 48 1.859 -8.643 9.017 1.00 0.00 C ATOM 762 OG SER A 48 2.400 -9.203 10.202 1.00 0.00 O ATOM 0 H SER A 48 3.519 -10.190 8.045 1.00 0.00 H new ATOM 0 HA SER A 48 0.729 -10.389 8.477 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.588 -7.972 8.562 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.983 -8.043 9.262 1.00 0.00 H new ATOM 0 HG SER A 48 3.355 -9.382 10.073 1.00 0.00 H new ATOM 768 N LEU A 49 1.672 -8.974 5.726 1.00 0.00 N ATOM 769 CA LEU A 49 1.213 -8.388 4.471 1.00 0.00 C ATOM 770 C LEU A 49 -0.026 -9.111 3.953 1.00 0.00 C ATOM 771 O LEU A 49 -1.083 -8.506 3.778 1.00 0.00 O ATOM 772 CB LEU A 49 2.325 -8.443 3.423 1.00 0.00 C ATOM 773 CG LEU A 49 2.242 -7.408 2.300 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.062 -7.855 1.100 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.793 -7.170 1.901 1.00 0.00 C ATOM 0 H LEU A 49 2.650 -9.264 5.723 1.00 0.00 H new ATOM 0 HA LEU A 49 0.951 -7.347 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.282 -8.322 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.325 -9.437 2.975 1.00 0.00 H new ATOM 0 HG LEU A 49 2.656 -6.468 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.991 -7.106 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.105 -7.973 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.679 -8.807 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.753 -6.431 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.353 -8.105 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.234 -6.804 2.762 1.00 0.00 H new ATOM 787 N GLY A 50 0.112 -10.411 3.712 1.00 0.00 N ATOM 788 CA GLY A 50 -1.004 -11.197 3.218 1.00 0.00 C ATOM 789 C GLY A 50 -2.288 -10.919 3.975 1.00 0.00 C ATOM 790 O GLY A 50 -3.379 -10.997 3.411 1.00 0.00 O ATOM 0 H GLY A 50 0.977 -10.934 3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.156 -10.982 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.761 -12.257 3.297 1.00 0.00 H new ATOM 794 N ALA A 51 -2.158 -10.597 5.258 1.00 0.00 N ATOM 795 CA ALA A 51 -3.317 -10.307 6.094 1.00 0.00 C ATOM 796 C ALA A 51 -3.848 -8.902 5.828 1.00 0.00 C ATOM 797 O ALA A 51 -5.058 -8.694 5.732 1.00 0.00 O ATOM 798 CB ALA A 51 -2.961 -10.469 7.564 1.00 0.00 C ATOM 0 H ALA A 51 -1.262 -10.530 5.741 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.103 -11.018 5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.835 -10.249 8.176 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.636 -11.493 7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.156 -9.781 7.821 1.00 0.00 H new ATOM 804 N ILE A 52 -2.937 -7.943 5.710 1.00 0.00 N ATOM 805 CA ILE A 52 -3.315 -6.558 5.455 1.00 0.00 C ATOM 806 C ILE A 52 -4.012 -6.418 4.106 1.00 0.00 C ATOM 807 O ILE A 52 -5.010 -5.708 3.981 1.00 0.00 O ATOM 808 CB ILE A 52 -2.090 -5.625 5.486 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.403 -5.695 6.852 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.504 -4.196 5.168 1.00 0.00 C ATOM 811 CD1 ILE A 52 0.001 -5.133 6.852 1.00 0.00 C ATOM 0 H ILE A 52 -1.932 -8.099 5.787 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.003 -6.268 6.249 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.381 -5.955 4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.004 -5.150 7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.370 -6.734 7.180 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.627 -3.549 5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.953 -4.160 4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.229 -3.854 5.907 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.426 -5.216 7.852 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.617 -5.693 6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.027 -4.085 6.555 1.00 0.00 H new ATOM 823 N LEU A 53 -3.481 -7.102 3.099 1.00 0.00 N ATOM 824 CA LEU A 53 -4.053 -7.057 1.757 1.00 0.00 C ATOM 825 C LEU A 53 -5.552 -7.337 1.795 1.00 0.00 C ATOM 826 O LEU A 53 -6.314 -6.793 0.996 1.00 0.00 O ATOM 827 CB LEU A 53 -3.356 -8.071 0.849 1.00 0.00 C ATOM 828 CG LEU A 53 -1.991 -7.654 0.301 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.159 -8.878 -0.050 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.157 -6.754 -0.915 1.00 0.00 C ATOM 0 H LEU A 53 -2.655 -7.695 3.186 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.899 -6.055 1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.234 -9.001 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.013 -8.286 0.006 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.467 -7.094 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.191 -8.561 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.010 -9.485 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.678 -9.466 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.175 -6.467 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.702 -7.290 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.713 -5.860 -0.633 1.00 0.00 H new ATOM 842 N GLN A 54 -5.967 -8.187 2.728 1.00 0.00 N ATOM 843 CA GLN A 54 -7.375 -8.538 2.870 1.00 0.00 C ATOM 844 C GLN A 54 -8.085 -7.567 3.808 1.00 0.00 C ATOM 845 O GLN A 54 -9.307 -7.428 3.762 1.00 0.00 O ATOM 846 CB GLN A 54 -7.516 -9.968 3.395 1.00 0.00 C ATOM 847 CG GLN A 54 -7.547 -11.018 2.296 1.00 0.00 C ATOM 848 CD GLN A 54 -8.941 -11.245 1.746 1.00 0.00 C ATOM 849 OE1 GLN A 54 -9.074 -11.187 0.426 1.00 0.00 O flip ATOM 850 NE2 GLN A 54 -9.889 -11.471 2.499 1.00 0.00 N flip ATOM 0 H GLN A 54 -5.348 -8.645 3.397 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.841 -8.472 1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.686 -10.183 4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.431 -10.042 3.983 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.886 -10.710 1.486 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.157 -11.958 2.686 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.742 -11.507 3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.821 -11.622 2.114 1.00 0.00 H new ATOM 859 N GLN A 55 -7.312 -6.900 4.658 1.00 0.00 N ATOM 860 CA GLN A 55 -7.869 -5.943 5.607 1.00 0.00 C ATOM 861 C GLN A 55 -8.090 -4.586 4.947 1.00 0.00 C ATOM 862 O GLN A 55 -8.929 -3.800 5.387 1.00 0.00 O ATOM 863 CB GLN A 55 -6.941 -5.791 6.814 1.00 0.00 C ATOM 864 CG GLN A 55 -6.988 -6.970 7.771 1.00 0.00 C ATOM 865 CD GLN A 55 -6.676 -6.575 9.201 1.00 0.00 C ATOM 866 OE1 GLN A 55 -6.864 -5.423 9.593 1.00 0.00 O ATOM 867 NE2 GLN A 55 -6.197 -7.530 9.989 1.00 0.00 N ATOM 0 H GLN A 55 -6.299 -7.004 4.709 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.833 -6.324 5.944 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.918 -5.661 6.461 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.209 -4.884 7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.978 -7.425 7.732 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.275 -7.727 7.444 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.057 -8.471 9.622 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.969 -7.322 10.961 1.00 0.00 H new ATOM 876 N VAL A 56 -7.333 -4.319 3.888 1.00 0.00 N ATOM 877 CA VAL A 56 -7.447 -3.057 3.165 1.00 0.00 C ATOM 878 C VAL A 56 -7.751 -3.294 1.690 1.00 0.00 C ATOM 879 O VAL A 56 -8.328 -2.438 1.020 1.00 0.00 O ATOM 880 CB VAL A 56 -6.157 -2.224 3.285 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.881 -1.872 4.738 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.981 -2.972 2.676 1.00 0.00 C ATOM 0 H VAL A 56 -6.634 -4.959 3.511 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.271 -2.505 3.618 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.293 -1.295 2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.966 -1.284 4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.714 -1.292 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.765 -2.787 5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.078 -2.369 2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.841 -3.918 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.180 -3.166 1.622 1.00 0.00 H new ATOM 892 N ALA A 57 -7.360 -4.462 1.191 1.00 0.00 N ATOM 893 CA ALA A 57 -7.594 -4.813 -0.204 1.00 0.00 C ATOM 894 C ALA A 57 -8.387 -6.110 -0.318 1.00 0.00 C ATOM 895 O ALA A 57 -8.703 -6.746 0.686 1.00 0.00 O ATOM 896 CB ALA A 57 -6.271 -4.934 -0.946 1.00 0.00 C ATOM 0 H ALA A 57 -6.880 -5.181 1.732 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.183 -4.017 -0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.460 -5.197 -1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.741 -3.983 -0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.663 -5.710 -0.481 1.00 0.00 H new ATOM 902 N ASN A 58 -8.707 -6.497 -1.549 1.00 0.00 N ATOM 903 CA ASN A 58 -9.465 -7.718 -1.794 1.00 0.00 C ATOM 904 C ASN A 58 -8.793 -8.569 -2.868 1.00 0.00 C ATOM 905 O ASN A 58 -8.436 -8.072 -3.937 1.00 0.00 O ATOM 906 CB ASN A 58 -10.896 -7.379 -2.218 1.00 0.00 C ATOM 907 CG ASN A 58 -11.724 -6.833 -1.071 1.00 0.00 C ATOM 908 OD1 ASN A 58 -12.008 -7.541 -0.104 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.117 -5.569 -1.173 1.00 0.00 N ATOM 0 H ASN A 58 -8.453 -5.982 -2.392 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.494 -8.290 -0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.869 -6.646 -3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.376 -8.273 -2.616 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.677 -5.148 -0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.859 -5.019 -1.992 1.00 0.00 H new ATOM 916 N LEU A 59 -8.625 -9.854 -2.577 1.00 0.00 N ATOM 917 CA LEU A 59 -7.997 -10.776 -3.517 1.00 0.00 C ATOM 918 C LEU A 59 -8.980 -11.197 -4.605 1.00 0.00 C ATOM 919 O LEU A 59 -10.101 -11.612 -4.316 1.00 0.00 O ATOM 920 CB LEU A 59 -7.475 -12.010 -2.780 1.00 0.00 C ATOM 921 CG LEU A 59 -6.246 -12.686 -3.389 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.624 -13.657 -2.397 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.617 -13.403 -4.679 1.00 0.00 C ATOM 0 H LEU A 59 -8.915 -10.281 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.160 -10.261 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.237 -11.723 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.279 -12.744 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.510 -11.917 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.751 -14.128 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.322 -13.117 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.353 -14.423 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.731 -13.878 -5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.371 -14.162 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.016 -12.683 -5.394 1.00 0.00 H new ATOM 935 N ASN A 60 -8.549 -11.089 -5.858 1.00 0.00 N ATOM 936 CA ASN A 60 -9.390 -11.460 -6.990 1.00 0.00 C ATOM 937 C ASN A 60 -8.903 -12.758 -7.627 1.00 0.00 C ATOM 938 O ASN A 60 -8.131 -12.739 -8.586 1.00 0.00 O ATOM 939 CB ASN A 60 -9.401 -10.340 -8.033 1.00 0.00 C ATOM 940 CG ASN A 60 -10.692 -10.304 -8.829 1.00 0.00 C ATOM 941 OD1 ASN A 60 -10.757 -10.812 -9.949 1.00 0.00 O ATOM 942 ND2 ASN A 60 -11.726 -9.703 -8.253 1.00 0.00 N ATOM 0 H ASN A 60 -7.623 -10.748 -6.115 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.404 -11.615 -6.622 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.258 -9.381 -7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.561 -10.473 -8.714 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.620 -9.648 -8.740 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.626 -9.296 -7.323 1.00 0.00 H new ATOM 949 N SER A 61 -9.361 -13.883 -7.088 1.00 0.00 N ATOM 950 CA SER A 61 -8.969 -15.191 -7.602 1.00 0.00 C ATOM 951 C SER A 61 -8.786 -15.147 -9.116 1.00 0.00 C ATOM 952 O SER A 61 -7.945 -15.855 -9.672 1.00 0.00 O ATOM 953 CB SER A 61 -10.019 -16.241 -7.234 1.00 0.00 C ATOM 954 OG SER A 61 -9.539 -17.551 -7.484 1.00 0.00 O ATOM 0 H SER A 61 -10.003 -13.916 -6.296 1.00 0.00 H new ATOM 0 HA SER A 61 -8.017 -15.463 -7.147 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.284 -16.142 -6.181 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.929 -16.068 -7.809 1.00 0.00 H new ATOM 0 HG SER A 61 -10.228 -18.204 -7.239 1.00 0.00 H new ATOM 960 N LYS A 62 -9.578 -14.311 -9.777 1.00 0.00 N ATOM 961 CA LYS A 62 -9.504 -14.172 -11.227 1.00 0.00 C ATOM 962 C LYS A 62 -8.054 -14.119 -11.695 1.00 0.00 C ATOM 963 O LYS A 62 -7.575 -15.032 -12.369 1.00 0.00 O ATOM 964 CB LYS A 62 -10.243 -12.910 -11.677 1.00 0.00 C ATOM 965 CG LYS A 62 -10.744 -12.977 -13.110 1.00 0.00 C ATOM 966 CD LYS A 62 -12.037 -13.768 -13.212 1.00 0.00 C ATOM 967 CE LYS A 62 -13.225 -12.962 -12.711 1.00 0.00 C ATOM 968 NZ LYS A 62 -13.611 -11.889 -13.669 1.00 0.00 N ATOM 0 H LYS A 62 -10.279 -13.719 -9.332 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.980 -15.044 -11.675 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.090 -12.738 -11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.578 -12.053 -11.573 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.903 -11.967 -13.488 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.984 -13.438 -13.741 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.205 -14.060 -14.249 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.949 -14.687 -12.632 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.073 -13.627 -12.550 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.981 -12.517 -11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.528 -11.486 -13.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.888 -11.142 -13.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.688 -12.289 -14.626 1.00 0.00 H new ATOM 982 N ASP A 63 -7.359 -13.046 -11.334 1.00 0.00 N ATOM 983 CA ASP A 63 -5.962 -12.876 -11.715 1.00 0.00 C ATOM 984 C ASP A 63 -5.061 -12.860 -10.484 1.00 0.00 C ATOM 985 O ASP A 63 -3.909 -12.428 -10.550 1.00 0.00 O ATOM 986 CB ASP A 63 -5.782 -11.582 -12.510 1.00 0.00 C ATOM 987 CG ASP A 63 -6.049 -11.770 -13.990 1.00 0.00 C ATOM 988 OD1 ASP A 63 -5.802 -12.882 -14.502 1.00 0.00 O ATOM 989 OD2 ASP A 63 -6.506 -10.805 -14.638 1.00 0.00 O ATOM 0 H ASP A 63 -7.740 -12.281 -10.778 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.677 -13.721 -12.341 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.455 -10.820 -12.116 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.766 -11.212 -12.371 1.00 0.00 H new ATOM 994 N LEU A 64 -5.592 -13.334 -9.362 1.00 0.00 N ATOM 995 CA LEU A 64 -4.836 -13.374 -8.115 1.00 0.00 C ATOM 996 C LEU A 64 -4.240 -12.007 -7.796 1.00 0.00 C ATOM 997 O LEU A 64 -3.165 -11.910 -7.203 1.00 0.00 O ATOM 998 CB LEU A 64 -3.724 -14.420 -8.203 1.00 0.00 C ATOM 999 CG LEU A 64 -4.106 -15.842 -7.789 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -3.176 -16.855 -8.439 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.075 -15.982 -6.274 1.00 0.00 C ATOM 0 H LEU A 64 -6.543 -13.696 -9.290 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.521 -13.648 -7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.359 -14.448 -9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.893 -14.092 -7.578 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.122 -16.040 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.463 -17.861 -8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.248 -16.771 -9.523 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.150 -16.660 -8.127 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.349 -17.000 -5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.071 -15.765 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.782 -15.282 -5.829 1.00 0.00 H new ATOM 1013 N SER A 65 -4.946 -10.952 -8.191 1.00 0.00 N ATOM 1014 CA SER A 65 -4.485 -9.590 -7.948 1.00 0.00 C ATOM 1015 C SER A 65 -5.278 -8.942 -6.817 1.00 0.00 C ATOM 1016 O SER A 65 -6.507 -9.013 -6.784 1.00 0.00 O ATOM 1017 CB SER A 65 -4.614 -8.751 -9.221 1.00 0.00 C ATOM 1018 OG SER A 65 -5.971 -8.611 -9.605 1.00 0.00 O ATOM 0 H SER A 65 -5.839 -11.014 -8.680 1.00 0.00 H new ATOM 0 HA SER A 65 -3.436 -9.635 -7.655 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.176 -7.766 -9.057 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.051 -9.220 -10.028 1.00 0.00 H new ATOM 0 HG SER A 65 -6.026 -8.069 -10.420 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.565 -8.311 -5.890 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.200 -7.652 -4.755 1.00 0.00 C ATOM 1026 C TYR A 66 -5.649 -6.241 -5.125 1.00 0.00 C ATOM 1027 O TYR A 66 -4.841 -5.407 -5.536 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.239 -7.599 -3.566 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.119 -8.911 -2.825 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -5.097 -9.314 -1.924 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -3.029 -9.748 -3.027 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -4.990 -10.512 -1.244 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.915 -10.948 -2.353 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.898 -11.326 -1.462 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.789 -12.521 -0.788 1.00 0.00 O ATOM 0 H TYR A 66 -3.547 -8.242 -5.903 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.080 -8.232 -4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.252 -7.300 -3.920 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.575 -6.829 -2.872 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.955 -8.681 -1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.257 -9.455 -3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.758 -10.810 -0.545 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.061 -11.587 -2.523 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.283 -13.159 -1.333 1.00 0.00 H new ATOM 1045 N THR A 67 -6.944 -5.980 -4.974 1.00 0.00 N ATOM 1046 CA THR A 67 -7.502 -4.672 -5.292 1.00 0.00 C ATOM 1047 C THR A 67 -7.789 -3.874 -4.025 1.00 0.00 C ATOM 1048 O THR A 67 -8.506 -4.337 -3.137 1.00 0.00 O ATOM 1049 CB THR A 67 -8.801 -4.799 -6.110 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.806 -5.460 -5.334 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.556 -5.573 -7.397 1.00 0.00 C ATOM 0 H THR A 67 -7.626 -6.658 -4.633 1.00 0.00 H new ATOM 0 HA THR A 67 -6.756 -4.147 -5.888 1.00 0.00 H new ATOM 0 HB THR A 67 -9.142 -3.796 -6.367 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.631 -5.315 -4.381 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.487 -5.650 -7.958 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.812 -5.052 -7.999 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.193 -6.572 -7.157 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.225 -2.674 -3.947 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.421 -1.810 -2.788 1.00 0.00 C ATOM 1061 C LEU A 68 -8.901 -1.501 -2.583 1.00 0.00 C ATOM 1062 O LEU A 68 -9.583 -1.043 -3.500 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.635 -0.509 -2.957 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.138 0.148 -1.669 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -5.960 1.645 -1.868 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -7.101 -0.129 -0.524 1.00 0.00 C ATOM 0 H LEU A 68 -6.628 -2.277 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.053 -2.337 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.774 -0.709 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.265 0.206 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.169 -0.281 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.606 2.096 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.232 1.823 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.915 2.091 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.732 0.346 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.084 0.273 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.178 -1.205 -0.366 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.391 -1.751 -1.374 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.789 -1.497 -1.046 1.00 0.00 C ATOM 1080 C LYS A 69 -11.196 -0.087 -1.461 1.00 0.00 C ATOM 1081 O LYS A 69 -10.383 0.677 -1.982 1.00 0.00 O ATOM 1082 CB LYS A 69 -11.025 -1.687 0.454 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.081 -3.143 0.881 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.956 -3.288 2.388 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.493 -4.683 2.778 1.00 0.00 C ATOM 1086 NZ LYS A 69 -11.028 -5.094 4.106 1.00 0.00 N ATOM 0 H LYS A 69 -8.840 -2.130 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.402 -2.211 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.229 -1.186 1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.960 -1.200 0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.021 -3.584 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.279 -3.697 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.250 -2.550 2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.918 -3.079 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.814 -5.397 2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.404 -4.711 2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.819 -6.100 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.582 -4.523 4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.057 -4.947 4.126 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.459 0.252 -1.226 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.974 1.572 -1.573 1.00 0.00 C ATOM 1102 C ASP A 70 -12.825 2.538 -0.403 1.00 0.00 C ATOM 1103 O ASP A 70 -12.146 3.560 -0.511 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.443 1.476 -1.988 1.00 0.00 C ATOM 1105 CG ASP A 70 -15.084 2.839 -2.165 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -14.621 3.605 -3.036 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -16.050 3.139 -1.433 1.00 0.00 O ATOM 0 H ASP A 70 -13.145 -0.369 -0.797 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.392 1.954 -2.412 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.518 0.918 -2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.994 0.913 -1.235 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.463 2.209 0.714 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.405 3.050 1.904 1.00 0.00 C ATOM 1114 C TYR A 71 -11.965 3.438 2.227 1.00 0.00 C ATOM 1115 O TYR A 71 -11.662 4.608 2.461 1.00 0.00 O ATOM 1116 CB TYR A 71 -14.029 2.326 3.098 1.00 0.00 C ATOM 1117 CG TYR A 71 -13.034 1.529 3.911 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.706 0.225 3.559 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.423 2.078 5.031 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.798 -0.507 4.299 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.513 1.354 5.776 1.00 0.00 C ATOM 1122 CZ TYR A 71 -11.204 0.062 5.406 1.00 0.00 C ATOM 1123 OH TYR A 71 -10.299 -0.664 6.146 1.00 0.00 O ATOM 0 H TYR A 71 -14.027 1.366 0.821 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.972 3.959 1.703 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.510 3.059 3.746 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.810 1.657 2.738 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.169 -0.223 2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.664 3.089 5.325 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.555 -1.519 4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.046 1.797 6.643 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.973 -0.118 6.891 1.00 0.00 H new ATOM 1133 N VAL A 72 -11.080 2.446 2.237 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.671 2.681 2.529 1.00 0.00 C ATOM 1135 C VAL A 72 -9.164 3.931 1.819 1.00 0.00 C ATOM 1136 O VAL A 72 -8.358 4.684 2.365 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.803 1.479 2.112 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.326 1.832 2.193 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -9.118 0.268 2.978 1.00 0.00 C ATOM 0 H VAL A 72 -11.314 1.472 2.046 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.590 2.821 3.607 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.036 1.228 1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.729 0.970 1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.115 2.668 1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.074 2.111 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.496 -0.572 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.916 0.505 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.169 0.002 2.863 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.641 4.145 0.597 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.236 5.304 -0.190 1.00 0.00 C ATOM 1151 C PHE A 73 -9.248 6.570 0.662 1.00 0.00 C ATOM 1152 O PHE A 73 -8.363 7.419 0.546 1.00 0.00 O ATOM 1153 CB PHE A 73 -10.162 5.478 -1.395 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.977 4.424 -2.450 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.708 4.061 -2.870 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -11.073 3.797 -3.020 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.535 3.091 -3.840 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.906 2.827 -3.990 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.636 2.474 -4.401 1.00 0.00 C ATOM 0 H PHE A 73 -10.308 3.531 0.130 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.219 5.134 -0.544 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.197 5.461 -1.053 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.988 6.459 -1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.844 4.541 -2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -12.069 4.069 -2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.540 2.816 -4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.768 2.345 -4.426 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.504 1.717 -5.160 1.00 0.00 H new ATOM 1169 N LYS A 74 -10.257 6.691 1.518 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.386 7.852 2.390 1.00 0.00 C ATOM 1171 C LYS A 74 -9.253 7.896 3.410 1.00 0.00 C ATOM 1172 O LYS A 74 -8.826 8.970 3.830 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.735 7.825 3.112 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.717 7.028 4.405 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.990 7.239 5.208 1.00 0.00 C ATOM 1176 CE LYS A 74 -13.019 8.615 5.855 1.00 0.00 C ATOM 1177 NZ LYS A 74 -13.874 8.636 7.074 1.00 0.00 N ATOM 0 H LYS A 74 -10.998 5.998 1.626 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.329 8.748 1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.042 8.848 3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.486 7.402 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.600 5.968 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.855 7.323 5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.856 7.124 4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.067 6.472 5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.004 8.914 6.118 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.391 9.346 5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.868 9.591 7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.848 8.375 6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.504 7.957 7.769 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.769 6.721 3.801 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.684 6.626 4.770 1.00 0.00 C ATOM 1193 C GLU A 75 -6.359 7.058 4.148 1.00 0.00 C ATOM 1194 O GLU A 75 -5.464 7.544 4.841 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.568 5.196 5.302 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.835 4.692 5.972 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.559 3.624 7.013 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -8.105 3.978 8.121 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.797 2.434 6.718 1.00 0.00 O ATOM 0 H GLU A 75 -9.111 5.822 3.461 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.912 7.296 5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.313 4.530 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.746 5.148 6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.350 5.529 6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.507 4.290 5.214 1.00 0.00 H new ATOM 1206 N LEU A 76 -6.241 6.877 2.837 1.00 0.00 N ATOM 1207 CA LEU A 76 -5.026 7.247 2.120 1.00 0.00 C ATOM 1208 C LEU A 76 -4.506 8.601 2.591 1.00 0.00 C ATOM 1209 O LEU A 76 -5.212 9.343 3.275 1.00 0.00 O ATOM 1210 CB LEU A 76 -5.291 7.285 0.614 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.487 5.930 -0.067 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.973 6.117 -1.496 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -4.194 5.128 -0.042 1.00 0.00 C ATOM 0 H LEU A 76 -6.972 6.476 2.249 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.266 6.494 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.180 7.890 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.457 7.795 0.131 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.246 5.374 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.107 5.142 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.923 6.651 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.237 6.692 -2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.353 4.167 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.414 5.679 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.888 4.963 0.991 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.270 8.917 2.219 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.658 10.184 2.603 1.00 0.00 C ATOM 1227 C GLN A 77 -2.131 10.926 1.379 1.00 0.00 C ATOM 1228 O GLN A 77 -1.068 10.597 0.852 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.521 9.944 3.597 1.00 0.00 C ATOM 1230 CG GLN A 77 -1.914 9.056 4.767 1.00 0.00 C ATOM 1231 CD GLN A 77 -1.059 9.298 5.996 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -0.983 10.417 6.504 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -0.408 8.246 6.481 1.00 0.00 N ATOM 0 H GLN A 77 -2.673 8.314 1.653 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.422 10.799 3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.681 9.489 3.072 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.176 10.904 3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.960 9.232 5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.829 8.011 4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.500 7.336 6.028 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.183 8.348 7.306 1.00 0.00 H new ATOM 1242 N ARG A 78 -2.881 11.928 0.932 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.489 12.716 -0.230 1.00 0.00 C ATOM 1244 C ARG A 78 -1.047 13.198 -0.100 1.00 0.00 C ATOM 1245 O ARG A 78 -0.395 13.512 -1.096 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.425 13.914 -0.399 1.00 0.00 C ATOM 1247 CG ARG A 78 -4.643 13.620 -1.260 1.00 0.00 C ATOM 1248 CD ARG A 78 -4.374 13.921 -2.726 1.00 0.00 C ATOM 1249 NE ARG A 78 -4.496 15.346 -3.023 1.00 0.00 N ATOM 1250 CZ ARG A 78 -4.188 15.881 -4.200 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -3.742 15.112 -5.184 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -4.325 17.186 -4.393 1.00 0.00 N ATOM 0 H ARG A 78 -3.763 12.213 1.357 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.562 12.079 -1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.758 14.246 0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.868 14.739 -0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.925 12.573 -1.148 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.487 14.216 -0.914 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.372 13.580 -2.988 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.074 13.360 -3.346 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.836 15.964 -2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.635 14.108 -5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.506 15.524 -6.087 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.667 17.780 -3.638 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.088 17.596 -5.297 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.557 13.253 1.133 1.00 0.00 N ATOM 1267 CA ASP A 79 0.808 13.696 1.394 1.00 0.00 C ATOM 1268 C ASP A 79 1.755 12.504 1.499 1.00 0.00 C ATOM 1269 O ASP A 79 2.796 12.582 2.152 1.00 0.00 O ATOM 1270 CB ASP A 79 0.862 14.522 2.680 1.00 0.00 C ATOM 1271 CG ASP A 79 0.578 15.991 2.437 1.00 0.00 C ATOM 1272 OD1 ASP A 79 1.370 16.639 1.722 1.00 0.00 O ATOM 1273 OD2 ASP A 79 -0.439 16.492 2.961 1.00 0.00 O ATOM 0 H ASP A 79 -1.084 12.997 1.968 1.00 0.00 H new ATOM 0 HA ASP A 79 1.128 14.319 0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.137 14.128 3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.847 14.416 3.135 1.00 0.00 H new ATOM 1278 N TRP A 80 1.387 11.404 0.854 1.00 0.00 N ATOM 1279 CA TRP A 80 2.203 10.195 0.876 1.00 0.00 C ATOM 1280 C TRP A 80 3.539 10.428 0.180 1.00 0.00 C ATOM 1281 O TRP A 80 3.600 10.755 -1.006 1.00 0.00 O ATOM 1282 CB TRP A 80 1.459 9.040 0.206 1.00 0.00 C ATOM 1283 CG TRP A 80 2.203 7.740 0.263 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.712 7.040 -0.793 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.520 6.986 1.438 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.327 5.895 -0.345 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.224 5.839 1.020 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.281 7.168 2.803 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.687 4.881 1.918 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.741 6.216 3.693 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.438 5.085 3.248 1.00 0.00 C ATOM 0 H TRP A 80 0.529 11.323 0.309 1.00 0.00 H new ATOM 0 HA TRP A 80 2.397 9.936 1.917 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.488 8.916 0.686 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.269 9.296 -0.836 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.642 7.341 -1.828 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.786 5.200 -0.934 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.746 8.037 3.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.224 4.008 1.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.560 6.346 4.750 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.786 4.360 3.969 1.00 0.00 H new ATOM 1302 N PRO A 81 4.637 10.256 0.931 1.00 0.00 N ATOM 1303 CA PRO A 81 5.993 10.442 0.405 1.00 0.00 C ATOM 1304 C PRO A 81 6.383 9.353 -0.589 1.00 0.00 C ATOM 1305 O PRO A 81 7.510 9.323 -1.081 1.00 0.00 O ATOM 1306 CB PRO A 81 6.872 10.364 1.655 1.00 0.00 C ATOM 1307 CG PRO A 81 6.084 9.549 2.622 1.00 0.00 C ATOM 1308 CD PRO A 81 4.640 9.867 2.351 1.00 0.00 C ATOM 0 HA PRO A 81 6.092 11.378 -0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.833 9.898 1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.083 11.356 2.053 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.281 8.485 2.488 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.352 9.796 3.649 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.998 9.005 2.533 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.280 10.674 2.989 1.00 0.00 H new ATOM 1316 N GLY A 82 5.442 8.460 -0.882 1.00 0.00 N ATOM 1317 CA GLY A 82 5.708 7.382 -1.817 1.00 0.00 C ATOM 1318 C GLY A 82 5.198 7.686 -3.212 1.00 0.00 C ATOM 1319 O GLY A 82 5.249 6.833 -4.098 1.00 0.00 O ATOM 0 H GLY A 82 4.501 8.464 -0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.781 7.197 -1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.241 6.467 -1.454 1.00 0.00 H new ATOM 1323 N TYR A 83 4.703 8.903 -3.407 1.00 0.00 N ATOM 1324 CA TYR A 83 4.178 9.316 -4.703 1.00 0.00 C ATOM 1325 C TYR A 83 5.109 10.321 -5.373 1.00 0.00 C ATOM 1326 O TYR A 83 5.364 11.400 -4.839 1.00 0.00 O ATOM 1327 CB TYR A 83 2.784 9.924 -4.541 1.00 0.00 C ATOM 1328 CG TYR A 83 1.744 8.937 -4.061 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.719 7.635 -4.545 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.786 9.307 -3.125 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.770 6.729 -4.110 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.165 8.408 -2.684 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.169 7.120 -3.179 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.116 6.222 -2.742 1.00 0.00 O ATOM 0 H TYR A 83 4.654 9.621 -2.684 1.00 0.00 H new ATOM 0 HA TYR A 83 4.110 8.432 -5.338 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.838 10.753 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.465 10.339 -5.497 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.454 7.325 -5.274 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.785 10.314 -2.736 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.764 5.721 -4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.902 8.712 -1.955 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.902 5.329 -3.083 1.00 0.00 H new ATOM 1344 N SER A 84 5.614 9.958 -6.548 1.00 0.00 N ATOM 1345 CA SER A 84 6.520 10.825 -7.292 1.00 0.00 C ATOM 1346 C SER A 84 5.752 11.948 -7.982 1.00 0.00 C ATOM 1347 O SER A 84 4.539 12.076 -7.819 1.00 0.00 O ATOM 1348 CB SER A 84 7.301 10.014 -8.327 1.00 0.00 C ATOM 1349 OG SER A 84 8.444 9.411 -7.747 1.00 0.00 O ATOM 0 H SER A 84 5.411 9.069 -7.005 1.00 0.00 H new ATOM 0 HA SER A 84 7.221 11.269 -6.585 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.656 9.245 -8.752 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.606 10.664 -9.148 1.00 0.00 H new ATOM 0 HG SER A 84 8.925 8.897 -8.429 1.00 0.00 H new ATOM 1355 N GLU A 85 6.469 12.759 -8.754 1.00 0.00 N ATOM 1356 CA GLU A 85 5.855 13.872 -9.469 1.00 0.00 C ATOM 1357 C GLU A 85 4.650 13.401 -10.277 1.00 0.00 C ATOM 1358 O GLU A 85 3.702 14.157 -10.494 1.00 0.00 O ATOM 1359 CB GLU A 85 6.876 14.537 -10.395 1.00 0.00 C ATOM 1360 CG GLU A 85 6.254 15.492 -11.400 1.00 0.00 C ATOM 1361 CD GLU A 85 5.875 16.824 -10.781 1.00 0.00 C ATOM 1362 OE1 GLU A 85 6.738 17.726 -10.741 1.00 0.00 O ATOM 1363 OE2 GLU A 85 4.716 16.964 -10.338 1.00 0.00 O ATOM 0 H GLU A 85 7.474 12.666 -8.900 1.00 0.00 H new ATOM 0 HA GLU A 85 5.514 14.600 -8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.602 15.081 -9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.424 13.763 -10.933 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.955 15.662 -12.217 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.366 15.031 -11.833 1.00 0.00 H new ATOM 1370 N ILE A 86 4.694 12.149 -10.719 1.00 0.00 N ATOM 1371 CA ILE A 86 3.605 11.578 -11.503 1.00 0.00 C ATOM 1372 C ILE A 86 2.595 10.871 -10.606 1.00 0.00 C ATOM 1373 O ILE A 86 1.408 11.195 -10.614 1.00 0.00 O ATOM 1374 CB ILE A 86 4.131 10.580 -12.552 1.00 0.00 C ATOM 1375 CG1 ILE A 86 5.214 11.233 -13.412 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.989 10.076 -13.421 1.00 0.00 C ATOM 1377 CD1 ILE A 86 6.551 11.350 -12.714 1.00 0.00 C ATOM 0 H ILE A 86 5.471 11.511 -10.548 1.00 0.00 H new ATOM 0 HA ILE A 86 3.115 12.406 -12.015 1.00 0.00 H new ATOM 0 HB ILE A 86 4.571 9.728 -12.033 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.340 10.652 -14.326 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.880 12.227 -13.709 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.376 9.372 -14.158 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.249 9.577 -12.796 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.523 10.918 -13.933 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.271 11.822 -13.383 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.440 11.956 -11.815 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.907 10.357 -12.441 1.00 0.00 H new ATOM 1389 N ASP A 87 3.075 9.904 -9.831 1.00 0.00 N ATOM 1390 CA ASP A 87 2.215 9.152 -8.925 1.00 0.00 C ATOM 1391 C ASP A 87 1.145 10.054 -8.318 1.00 0.00 C ATOM 1392 O ASP A 87 -0.051 9.836 -8.516 1.00 0.00 O ATOM 1393 CB ASP A 87 3.046 8.508 -7.815 1.00 0.00 C ATOM 1394 CG ASP A 87 4.133 7.601 -8.357 1.00 0.00 C ATOM 1395 OD1 ASP A 87 4.206 7.437 -9.593 1.00 0.00 O ATOM 1396 OD2 ASP A 87 4.911 7.055 -7.546 1.00 0.00 O ATOM 0 H ASP A 87 4.055 9.623 -9.812 1.00 0.00 H new ATOM 0 HA ASP A 87 1.721 8.368 -9.499 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.500 9.289 -7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.390 7.933 -7.161 1.00 0.00 H new ATOM 1401 N ARG A 88 1.582 11.067 -7.578 1.00 0.00 N ATOM 1402 CA ARG A 88 0.662 12.001 -6.940 1.00 0.00 C ATOM 1403 C ARG A 88 -0.505 12.332 -7.866 1.00 0.00 C ATOM 1404 O ARG A 88 -1.666 12.115 -7.519 1.00 0.00 O ATOM 1405 CB ARG A 88 1.396 13.284 -6.546 1.00 0.00 C ATOM 1406 CG ARG A 88 2.571 13.052 -5.611 1.00 0.00 C ATOM 1407 CD ARG A 88 3.347 14.335 -5.362 1.00 0.00 C ATOM 1408 NE ARG A 88 2.533 15.346 -4.692 1.00 0.00 N ATOM 1409 CZ ARG A 88 3.035 16.442 -4.133 1.00 0.00 C ATOM 1410 NH1 ARG A 88 4.341 16.667 -4.164 1.00 0.00 N ATOM 1411 NH2 ARG A 88 2.230 17.316 -3.543 1.00 0.00 N ATOM 0 H ARG A 88 2.568 11.262 -7.405 1.00 0.00 H new ATOM 0 HA ARG A 88 0.267 11.527 -6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.753 13.780 -7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.691 13.963 -6.067 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.210 12.654 -4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.235 12.301 -6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.225 14.115 -4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.707 14.731 -6.312 1.00 0.00 H new ATOM 0 HE ARG A 88 1.524 15.203 -4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.963 15.998 -4.618 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.724 17.509 -3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.224 17.147 -3.518 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.617 18.157 -3.114 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.187 12.860 -9.043 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.208 13.223 -10.018 1.00 0.00 C ATOM 1427 C ARG A 89 -1.937 11.984 -10.530 1.00 0.00 C ATOM 1428 O ARG A 89 -3.054 12.074 -11.040 1.00 0.00 O ATOM 1429 CB ARG A 89 -0.580 13.979 -11.190 1.00 0.00 C ATOM 1430 CG ARG A 89 0.204 13.087 -12.139 1.00 0.00 C ATOM 1431 CD ARG A 89 0.180 13.628 -13.560 1.00 0.00 C ATOM 1432 NE ARG A 89 0.317 12.566 -14.553 1.00 0.00 N ATOM 1433 CZ ARG A 89 0.705 12.777 -15.806 1.00 0.00 C ATOM 1434 NH1 ARG A 89 0.993 14.004 -16.217 1.00 0.00 N ATOM 1435 NH2 ARG A 89 0.805 11.758 -16.651 1.00 0.00 N ATOM 0 H ARG A 89 0.769 13.046 -9.345 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.932 13.871 -9.523 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.367 14.486 -11.748 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.083 14.752 -10.800 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.236 13.007 -11.796 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.215 12.081 -12.124 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.755 14.163 -13.728 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.987 14.349 -13.687 1.00 0.00 H new ATOM 0 HE ARG A 89 0.103 11.610 -14.269 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.917 14.789 -15.571 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.291 14.163 -17.180 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.584 10.813 -16.338 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.103 11.920 -17.613 1.00 0.00 H new ATOM 1449 N SER A 90 -1.296 10.828 -10.391 1.00 0.00 N ATOM 1450 CA SER A 90 -1.881 9.571 -10.843 1.00 0.00 C ATOM 1451 C SER A 90 -2.863 9.026 -9.810 1.00 0.00 C ATOM 1452 O SER A 90 -3.731 8.213 -10.130 1.00 0.00 O ATOM 1453 CB SER A 90 -0.782 8.540 -11.111 1.00 0.00 C ATOM 1454 OG SER A 90 -1.175 7.627 -12.121 1.00 0.00 O ATOM 0 H SER A 90 -0.372 10.736 -9.969 1.00 0.00 H new ATOM 0 HA SER A 90 -2.423 9.763 -11.769 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.133 9.049 -11.413 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.557 7.997 -10.193 1.00 0.00 H new ATOM 0 HG SER A 90 -0.455 6.980 -12.275 1.00 0.00 H new ATOM 1460 N LEU A 91 -2.720 9.480 -8.570 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.594 9.039 -7.488 1.00 0.00 C ATOM 1462 C LEU A 91 -4.789 9.975 -7.339 1.00 0.00 C ATOM 1463 O LEU A 91 -5.926 9.526 -7.197 1.00 0.00 O ATOM 1464 CB LEU A 91 -2.816 8.973 -6.173 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.624 9.238 -4.901 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.036 8.472 -3.726 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.669 10.729 -4.599 1.00 0.00 C ATOM 0 H LEU A 91 -2.007 10.153 -8.288 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.964 8.044 -7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.362 7.985 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.001 9.696 -6.219 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.644 8.889 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.624 8.673 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.056 7.404 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.006 8.790 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.248 10.899 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.655 11.102 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.137 11.255 -5.431 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.524 11.277 -7.373 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.579 12.275 -7.243 1.00 0.00 C ATOM 1481 C GLU A 92 -6.785 11.907 -8.103 1.00 0.00 C ATOM 1482 O GLU A 92 -7.902 12.357 -7.849 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.057 13.656 -7.642 1.00 0.00 C ATOM 1484 CG GLU A 92 -4.719 13.776 -9.119 1.00 0.00 C ATOM 1485 CD GLU A 92 -4.487 15.211 -9.550 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -3.482 15.808 -9.109 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -5.311 15.738 -10.327 1.00 0.00 O ATOM 0 H GLU A 92 -3.588 11.665 -7.489 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.893 12.301 -6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.806 14.406 -7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.167 13.882 -7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.827 13.188 -9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.530 13.350 -9.709 1.00 0.00 H new ATOM 1494 N SER A 93 -6.550 11.086 -9.121 1.00 0.00 N ATOM 1495 CA SER A 93 -7.615 10.660 -10.022 1.00 0.00 C ATOM 1496 C SER A 93 -8.523 9.638 -9.345 1.00 0.00 C ATOM 1497 O SER A 93 -9.705 9.895 -9.117 1.00 0.00 O ATOM 1498 CB SER A 93 -7.023 10.065 -11.301 1.00 0.00 C ATOM 1499 OG SER A 93 -8.044 9.693 -12.211 1.00 0.00 O ATOM 0 H SER A 93 -5.631 10.702 -9.343 1.00 0.00 H new ATOM 0 HA SER A 93 -8.211 11.536 -10.279 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.360 10.792 -11.771 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.417 9.194 -11.054 1.00 0.00 H new ATOM 0 HG SER A 93 -7.640 9.317 -13.021 1.00 0.00 H new ATOM 1505 N VAL A 94 -7.961 8.476 -9.026 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.718 7.414 -8.374 1.00 0.00 C ATOM 1507 C VAL A 94 -9.684 7.983 -7.341 1.00 0.00 C ATOM 1508 O VAL A 94 -10.896 7.783 -7.432 1.00 0.00 O ATOM 1509 CB VAL A 94 -7.784 6.402 -7.685 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.591 5.389 -6.887 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -6.904 5.705 -8.711 1.00 0.00 C ATOM 0 H VAL A 94 -6.984 8.246 -9.209 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.284 6.903 -9.153 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.138 6.943 -6.993 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.915 4.682 -6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.174 5.907 -6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.263 4.851 -7.556 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.250 4.993 -8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.531 5.176 -9.429 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.299 6.445 -9.234 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.140 8.692 -6.358 1.00 0.00 N ATOM 1522 CA LEU A 95 -9.954 9.292 -5.306 1.00 0.00 C ATOM 1523 C LEU A 95 -11.116 10.082 -5.900 1.00 0.00 C ATOM 1524 O LEU A 95 -12.230 10.056 -5.376 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.097 10.205 -4.429 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.810 9.592 -3.877 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -6.925 10.667 -3.266 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -8.130 8.515 -2.850 1.00 0.00 C ATOM 0 H LEU A 95 -8.139 8.866 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.361 8.488 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.834 11.090 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.704 10.543 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.268 9.130 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.014 10.211 -2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.667 11.403 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.459 11.159 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.202 8.090 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.694 8.953 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.723 7.730 -3.319 1.00 0.00 H new ATOM 1540 N SER A 96 -10.849 10.781 -6.999 1.00 0.00 N ATOM 1541 CA SER A 96 -11.872 11.580 -7.663 1.00 0.00 C ATOM 1542 C SER A 96 -12.971 10.689 -8.235 1.00 0.00 C ATOM 1543 O SER A 96 -14.144 11.062 -8.246 1.00 0.00 O ATOM 1544 CB SER A 96 -11.248 12.419 -8.780 1.00 0.00 C ATOM 1545 OG SER A 96 -12.224 13.222 -9.421 1.00 0.00 O ATOM 0 H SER A 96 -9.934 10.810 -7.448 1.00 0.00 H new ATOM 0 HA SER A 96 -12.316 12.245 -6.922 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.464 13.054 -8.367 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.775 11.763 -9.511 1.00 0.00 H new ATOM 0 HG SER A 96 -11.800 13.749 -10.130 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.582 9.510 -8.708 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.532 8.565 -9.283 1.00 0.00 C ATOM 1553 C ARG A 97 -14.351 7.886 -8.189 1.00 0.00 C ATOM 1554 O ARG A 97 -15.579 7.831 -8.261 1.00 0.00 O ATOM 1555 CB ARG A 97 -12.798 7.511 -10.114 1.00 0.00 C ATOM 1556 CG ARG A 97 -11.796 8.099 -11.094 1.00 0.00 C ATOM 1557 CD ARG A 97 -11.626 7.211 -12.317 1.00 0.00 C ATOM 1558 NE ARG A 97 -12.690 7.418 -13.295 1.00 0.00 N ATOM 1559 CZ ARG A 97 -12.863 6.652 -14.366 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -12.047 5.632 -14.594 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -13.855 6.904 -15.211 1.00 0.00 N ATOM 0 H ARG A 97 -11.615 9.186 -8.704 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.211 9.119 -9.931 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.279 6.828 -9.442 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.530 6.921 -10.666 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.128 9.089 -11.405 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -10.833 8.227 -10.599 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.661 7.415 -12.782 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.616 6.166 -12.008 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.336 8.194 -13.148 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.284 5.434 -13.946 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.182 5.045 -15.417 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.486 7.687 -15.038 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -13.987 6.315 -16.033 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.664 7.368 -7.177 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.326 6.693 -6.067 1.00 0.00 C ATOM 1577 C LYS A 98 -15.108 7.686 -5.214 1.00 0.00 C ATOM 1578 O LYS A 98 -16.339 7.706 -5.239 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.297 5.960 -5.202 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.515 4.898 -5.955 1.00 0.00 C ATOM 1581 CD LYS A 98 -13.353 3.654 -6.195 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.681 2.710 -7.180 1.00 0.00 C ATOM 1583 NZ LYS A 98 -13.412 1.418 -7.298 1.00 0.00 N ATOM 0 H LYS A 98 -12.647 7.403 -7.102 1.00 0.00 H new ATOM 0 HA LYS A 98 -15.026 5.968 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.599 6.688 -4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.809 5.494 -4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.179 5.301 -6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.622 4.633 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.518 3.137 -5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.333 3.942 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.625 3.186 -8.159 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.657 2.520 -6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.922 0.803 -7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.443 0.951 -6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.382 1.597 -7.629 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.386 8.509 -4.462 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.013 9.507 -3.602 1.00 0.00 C ATOM 1599 C LEU A 99 -15.923 10.428 -4.409 1.00 0.00 C ATOM 1600 O LEU A 99 -15.470 11.420 -4.979 1.00 0.00 O ATOM 1601 CB LEU A 99 -13.945 10.331 -2.881 1.00 0.00 C ATOM 1602 CG LEU A 99 -12.888 9.536 -2.113 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.683 10.410 -1.803 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.478 8.963 -0.833 1.00 0.00 C ATOM 0 H LEU A 99 -13.367 8.505 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.620 8.984 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.438 10.955 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.443 11.003 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.558 8.708 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -10.942 9.827 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.246 10.771 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -11.996 11.259 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.712 8.400 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.837 9.776 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.308 8.301 -1.079 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.208 10.093 -4.452 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.182 10.890 -5.189 1.00 0.00 C ATOM 1618 C ASN A 100 -17.838 12.375 -5.112 1.00 0.00 C ATOM 1619 O ASN A 100 -18.705 13.232 -5.284 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.589 10.652 -4.637 1.00 0.00 C ATOM 1621 CG ASN A 100 -20.661 10.814 -5.697 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -21.302 9.710 -6.063 1.00 0.00 O flip ATOM 1623 ND2 ASN A 100 -20.909 11.918 -6.182 1.00 0.00 N flip ATOM 0 H ASN A 100 -17.599 9.275 -3.985 1.00 0.00 H new ATOM 0 HA ASN A 100 -18.152 10.581 -6.234 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -19.646 9.648 -4.217 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -19.779 11.350 -3.822 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -20.391 12.740 -5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -21.632 12.011 -6.895 1.00 0.00 H new