USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1017 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: B 10 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 14 SER OG : rot 3:sc= 1.18 USER MOD Set 2.1: A 26 HIS : no HE2:sc= -5.49! C(o=-5.6!,f=-7.5!) USER MOD Set 2.2: B 11 GLN :FLIP amide:sc= -0.0753 F(o=-6.3,f=-5.6) USER MOD Single : A 8 SER OG : rot 26:sc= 0.17 USER MOD Single : A 9 ASN : amide:sc= 0.917 K(o=0.92,f=-0.0022) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 11 GLN : amide:sc= -0.0504 K(o=-0.05,f=-0.59) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0495) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -130:sc= 0.0234 USER MOD Single : A 33 SER OG : rot 74:sc= -0.23 USER MOD Single : A 35 MET CE :methyl -172:sc= -0.461 (180deg=-0.632) USER MOD Single : A 39 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 40 CYS SG : rot 55:sc= 0.433 USER MOD Single : A 42 THR OG1 : rot 86:sc= 0.181 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00246 USER MOD Single : A 53 SER OG : rot -31:sc= 0.202 USER MOD Single : A 55 GLN : amide:sc= -2.5! C(o=-2.5!,f=-5.7!) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc=-0.000627 (180deg=-0.0736) USER MOD Single : A 67 GLN : amide:sc= -0.0641 X(o=-0.064,f=-0.081) USER MOD Single : A 68 SER OG : rot 75:sc= 1.23 USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.03) USER MOD Single : B 8 SER OG : rot 180:sc= -0.296 USER MOD Single : B 9 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 25 LYS NZ :NH3+ 166:sc= -0.0221 (180deg=-0.235) USER MOD Single : B 26 HIS : no HD1:sc= 0.233 K(o=0.23,f=-6.3!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 170:sc= -1.43! USER MOD Single : B 33 SER OG : rot 77:sc= 1.23 USER MOD Single : B 35 MET CE :methyl -162:sc= -0.154 (180deg=-0.681) USER MOD Single : B 39 ASN : amide:sc= -0.0187 K(o=-0.019,f=-0.94) USER MOD Single : B 40 CYS SG : rot 180:sc= 0 USER MOD Single : B 42 THR OG1 : rot 81:sc= 1.24 USER MOD Single : B 43 HIS : no HE2:sc= 0.901 K(o=0.9,f=-4.9!) USER MOD Single : B 48 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.135) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : B 60 GLN : amide:sc= 0.104 X(o=0.1,f=0) USER MOD Single : B 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0442) USER MOD Single : B 67 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.17) USER MOD Single : B 68 SER OG : rot 88:sc= 1.21 USER MOD Single : B 70 LYS NZ :NH3+ -166:sc= -0.0473 (180deg=-0.261) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 8 -2.540 19.225 -3.634 1.00 0.00 N ATOM 121 CA SER A 8 -1.319 19.083 -4.411 1.00 0.00 C ATOM 122 C SER A 8 -0.211 18.397 -3.608 1.00 0.00 C ATOM 123 O SER A 8 -0.455 17.866 -2.520 1.00 0.00 O ATOM 124 CB SER A 8 -0.861 20.464 -4.880 1.00 0.00 C ATOM 125 OG SER A 8 -1.904 21.128 -5.572 1.00 0.00 O ATOM 0 HA SER A 8 -1.530 18.450 -5.273 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.549 21.060 -4.022 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.008 20.363 -5.531 1.00 0.00 H new ATOM 0 HG SER A 8 -2.770 20.789 -5.262 1.00 0.00 H new ATOM 131 N ASN A 9 1.004 18.424 -4.167 1.00 0.00 N ATOM 132 CA ASN A 9 2.185 17.786 -3.571 1.00 0.00 C ATOM 133 C ASN A 9 2.318 18.076 -2.085 1.00 0.00 C ATOM 134 O ASN A 9 2.550 17.164 -1.292 1.00 0.00 O ATOM 135 CB ASN A 9 3.457 18.261 -4.282 1.00 0.00 C ATOM 136 CG ASN A 9 3.629 17.650 -5.656 1.00 0.00 C ATOM 137 OD1 ASN A 9 3.090 18.150 -6.644 1.00 0.00 O ATOM 138 ND2 ASN A 9 4.408 16.585 -5.731 1.00 0.00 N ATOM 0 H ASN A 9 1.198 18.892 -5.052 1.00 0.00 H new ATOM 0 HA ASN A 9 2.055 16.711 -3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.432 19.347 -4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.324 18.013 -3.669 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.583 16.144 -6.634 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.834 16.204 -4.886 1.00 0.00 H new ATOM 145 N THR A 10 2.167 19.344 -1.720 1.00 0.00 N ATOM 146 CA THR A 10 2.333 19.783 -0.341 1.00 0.00 C ATOM 147 C THR A 10 1.522 18.920 0.631 1.00 0.00 C ATOM 148 O THR A 10 2.059 18.419 1.616 1.00 0.00 O ATOM 149 CB THR A 10 1.914 21.257 -0.195 1.00 0.00 C ATOM 150 OG1 THR A 10 2.500 22.030 -1.253 1.00 0.00 O ATOM 151 CG2 THR A 10 2.350 21.817 1.151 1.00 0.00 C ATOM 0 H THR A 10 1.927 20.093 -2.369 1.00 0.00 H new ATOM 0 HA THR A 10 3.388 19.676 -0.090 1.00 0.00 H new ATOM 0 HB THR A 10 0.827 21.314 -0.254 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.231 22.968 -1.160 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.042 22.860 1.228 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.887 21.241 1.952 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.435 21.752 1.238 1.00 0.00 H new ATOM 159 N GLN A 11 0.244 18.717 0.326 1.00 0.00 N ATOM 160 CA GLN A 11 -0.644 17.969 1.209 1.00 0.00 C ATOM 161 C GLN A 11 -0.287 16.484 1.205 1.00 0.00 C ATOM 162 O GLN A 11 -0.130 15.870 2.261 1.00 0.00 O ATOM 163 CB GLN A 11 -2.103 18.159 0.780 1.00 0.00 C ATOM 164 CG GLN A 11 -3.106 17.409 1.649 1.00 0.00 C ATOM 165 CD GLN A 11 -3.092 17.870 3.096 1.00 0.00 C ATOM 166 OE1 GLN A 11 -2.812 19.030 3.391 1.00 0.00 O ATOM 167 NE2 GLN A 11 -3.402 16.961 4.008 1.00 0.00 N ATOM 0 H GLN A 11 -0.200 19.060 -0.526 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.519 18.352 2.222 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.342 19.222 0.802 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.214 17.828 -0.253 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.107 17.544 1.239 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.887 16.342 1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.629 16.008 3.722 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.414 17.214 4.996 1.00 0.00 H new ATOM 176 N VAL A 12 -0.136 15.921 0.010 1.00 0.00 N ATOM 177 CA VAL A 12 0.104 14.488 -0.140 1.00 0.00 C ATOM 178 C VAL A 12 1.445 14.080 0.464 1.00 0.00 C ATOM 179 O VAL A 12 1.516 13.142 1.258 1.00 0.00 O ATOM 180 CB VAL A 12 0.073 14.062 -1.625 1.00 0.00 C ATOM 181 CG1 VAL A 12 0.166 12.547 -1.757 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.178 14.588 -2.315 1.00 0.00 C ATOM 0 H VAL A 12 -0.176 16.435 -0.870 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.699 13.981 0.395 1.00 0.00 H new ATOM 0 HB VAL A 12 0.941 14.499 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.142 12.271 -2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.098 12.200 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.676 12.085 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.177 14.275 -3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.062 14.190 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.192 15.677 -2.263 1.00 0.00 H new ATOM 192 N GLU A 13 2.505 14.794 0.106 1.00 0.00 N ATOM 193 CA GLU A 13 3.844 14.432 0.551 1.00 0.00 C ATOM 194 C GLU A 13 4.034 14.725 2.038 1.00 0.00 C ATOM 195 O GLU A 13 4.838 14.071 2.703 1.00 0.00 O ATOM 196 CB GLU A 13 4.908 15.140 -0.291 1.00 0.00 C ATOM 197 CG GLU A 13 4.910 14.688 -1.747 1.00 0.00 C ATOM 198 CD GLU A 13 6.095 15.211 -2.534 1.00 0.00 C ATOM 199 OE1 GLU A 13 7.215 14.684 -2.350 1.00 0.00 O ATOM 200 OE2 GLU A 13 5.913 16.128 -3.361 1.00 0.00 O ATOM 0 H GLU A 13 2.464 15.622 -0.488 1.00 0.00 H new ATOM 0 HA GLU A 13 3.963 13.358 0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.740 16.216 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.890 14.954 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.911 13.599 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.989 15.021 -2.225 1.00 0.00 H new ATOM 207 N SER A 14 3.287 15.693 2.564 1.00 0.00 N ATOM 208 CA SER A 14 3.305 15.961 3.995 1.00 0.00 C ATOM 209 C SER A 14 2.575 14.848 4.739 1.00 0.00 C ATOM 210 O SER A 14 2.960 14.467 5.847 1.00 0.00 O ATOM 211 CB SER A 14 2.661 17.317 4.306 1.00 0.00 C ATOM 212 OG SER A 14 2.757 17.630 5.687 1.00 0.00 O ATOM 0 H SER A 14 2.668 16.298 2.025 1.00 0.00 H new ATOM 0 HA SER A 14 4.342 15.995 4.328 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.148 18.096 3.720 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.613 17.301 4.007 1.00 0.00 H new ATOM 0 HG SER A 14 2.339 18.501 5.855 1.00 0.00 H new ATOM 218 N LEU A 15 1.523 14.324 4.116 1.00 0.00 N ATOM 219 CA LEU A 15 0.778 13.211 4.680 1.00 0.00 C ATOM 220 C LEU A 15 1.671 11.982 4.762 1.00 0.00 C ATOM 221 O LEU A 15 1.840 11.402 5.834 1.00 0.00 O ATOM 222 CB LEU A 15 -0.459 12.905 3.831 1.00 0.00 C ATOM 223 CG LEU A 15 -1.392 11.839 4.407 1.00 0.00 C ATOM 224 CD1 LEU A 15 -1.960 12.298 5.736 1.00 0.00 C ATOM 225 CD2 LEU A 15 -2.514 11.522 3.435 1.00 0.00 C ATOM 0 H LEU A 15 1.169 14.656 3.219 1.00 0.00 H new ATOM 0 HA LEU A 15 0.449 13.484 5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.025 13.827 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.132 12.584 2.842 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.813 10.930 4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.622 11.529 6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.145 12.474 6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.521 13.221 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.165 10.761 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.092 12.425 3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.092 11.151 2.501 1.00 0.00 H new ATOM 237 N ILE A 16 2.260 11.611 3.626 1.00 0.00 N ATOM 238 CA ILE A 16 3.164 10.463 3.556 1.00 0.00 C ATOM 239 C ILE A 16 4.289 10.600 4.577 1.00 0.00 C ATOM 240 O ILE A 16 4.679 9.626 5.224 1.00 0.00 O ATOM 241 CB ILE A 16 3.781 10.321 2.146 1.00 0.00 C ATOM 242 CG1 ILE A 16 2.679 10.234 1.089 1.00 0.00 C ATOM 243 CG2 ILE A 16 4.680 9.093 2.075 1.00 0.00 C ATOM 244 CD1 ILE A 16 3.197 10.239 -0.332 1.00 0.00 C ATOM 0 H ILE A 16 2.126 12.092 2.736 1.00 0.00 H new ATOM 0 HA ILE A 16 2.574 9.573 3.778 1.00 0.00 H new ATOM 0 HB ILE A 16 4.388 11.204 1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.102 9.324 1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.995 11.073 1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.105 9.010 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.485 9.188 2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.095 8.200 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.358 10.175 -1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.749 11.161 -0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.857 9.385 -0.482 1.00 0.00 H new ATOM 256 N ALA A 17 4.789 11.823 4.724 1.00 0.00 N ATOM 257 CA ALA A 17 5.859 12.114 5.668 1.00 0.00 C ATOM 258 C ALA A 17 5.484 11.677 7.077 1.00 0.00 C ATOM 259 O ALA A 17 6.249 10.976 7.740 1.00 0.00 O ATOM 260 CB ALA A 17 6.190 13.599 5.650 1.00 0.00 C ATOM 0 H ALA A 17 4.466 12.634 4.196 1.00 0.00 H new ATOM 0 HA ALA A 17 6.740 11.550 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.991 13.802 6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.511 13.888 4.649 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.305 14.172 5.928 1.00 0.00 H new ATOM 266 N GLU A 18 4.295 12.069 7.523 1.00 0.00 N ATOM 267 CA GLU A 18 3.859 11.761 8.878 1.00 0.00 C ATOM 268 C GLU A 18 3.527 10.278 9.023 1.00 0.00 C ATOM 269 O GLU A 18 3.747 9.688 10.080 1.00 0.00 O ATOM 270 CB GLU A 18 2.659 12.621 9.275 1.00 0.00 C ATOM 271 CG GLU A 18 2.179 12.356 10.692 1.00 0.00 C ATOM 272 CD GLU A 18 1.178 13.378 11.176 1.00 0.00 C ATOM 273 OE1 GLU A 18 0.003 13.317 10.761 1.00 0.00 O ATOM 274 OE2 GLU A 18 1.563 14.248 11.988 1.00 0.00 O ATOM 0 H GLU A 18 3.621 12.597 6.969 1.00 0.00 H new ATOM 0 HA GLU A 18 4.683 11.992 9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.926 13.673 9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.840 12.435 8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.729 11.364 10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.036 12.348 11.365 1.00 0.00 H new ATOM 281 N ILE A 19 3.015 9.674 7.958 1.00 0.00 N ATOM 282 CA ILE A 19 2.714 8.246 7.972 1.00 0.00 C ATOM 283 C ILE A 19 4.001 7.447 8.179 1.00 0.00 C ATOM 284 O ILE A 19 4.022 6.451 8.906 1.00 0.00 O ATOM 285 CB ILE A 19 2.020 7.795 6.666 1.00 0.00 C ATOM 286 CG1 ILE A 19 0.784 8.658 6.398 1.00 0.00 C ATOM 287 CG2 ILE A 19 1.616 6.331 6.757 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.119 8.374 5.070 1.00 0.00 C ATOM 0 H ILE A 19 2.800 10.145 7.079 1.00 0.00 H new ATOM 0 HA ILE A 19 2.027 8.058 8.797 1.00 0.00 H new ATOM 0 HB ILE A 19 2.724 7.916 5.843 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.061 8.499 7.198 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.071 9.709 6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.129 6.030 5.830 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.503 5.718 6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.926 6.195 7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.748 9.023 4.951 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.826 8.561 4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.201 7.332 5.039 1.00 0.00 H new ATOM 300 N LEU A 20 5.082 7.910 7.555 1.00 0.00 N ATOM 301 CA LEU A 20 6.397 7.310 7.748 1.00 0.00 C ATOM 302 C LEU A 20 6.872 7.523 9.182 1.00 0.00 C ATOM 303 O LEU A 20 7.545 6.670 9.756 1.00 0.00 O ATOM 304 CB LEU A 20 7.418 7.898 6.767 1.00 0.00 C ATOM 305 CG LEU A 20 7.188 7.557 5.290 1.00 0.00 C ATOM 306 CD1 LEU A 20 8.245 8.222 4.417 1.00 0.00 C ATOM 307 CD2 LEU A 20 7.199 6.049 5.084 1.00 0.00 C ATOM 0 H LEU A 20 5.071 8.700 6.910 1.00 0.00 H new ATOM 0 HA LEU A 20 6.311 6.241 7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.417 8.983 6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.411 7.550 7.052 1.00 0.00 H new ATOM 0 HG LEU A 20 6.210 7.939 4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.066 7.969 3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.193 9.303 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.234 7.870 4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.034 5.825 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.163 5.646 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.407 5.595 5.680 1.00 0.00 H new ATOM 319 N VAL A 21 6.504 8.664 9.759 1.00 0.00 N ATOM 320 CA VAL A 21 6.860 8.981 11.140 1.00 0.00 C ATOM 321 C VAL A 21 6.146 8.043 12.112 1.00 0.00 C ATOM 322 O VAL A 21 6.681 7.701 13.159 1.00 0.00 O ATOM 323 CB VAL A 21 6.526 10.449 11.493 1.00 0.00 C ATOM 324 CG1 VAL A 21 6.825 10.745 12.955 1.00 0.00 C ATOM 325 CG2 VAL A 21 7.304 11.399 10.599 1.00 0.00 C ATOM 0 H VAL A 21 5.958 9.387 9.290 1.00 0.00 H new ATOM 0 HA VAL A 21 7.937 8.843 11.234 1.00 0.00 H new ATOM 0 HB VAL A 21 5.459 10.598 11.327 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.580 11.784 13.173 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.226 10.090 13.589 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.883 10.572 13.152 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.058 12.428 10.860 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.373 11.235 10.737 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.041 11.216 9.557 1.00 0.00 H new ATOM 335 N VAL A 22 4.939 7.625 11.757 1.00 0.00 N ATOM 336 CA VAL A 22 4.196 6.664 12.566 1.00 0.00 C ATOM 337 C VAL A 22 4.874 5.299 12.534 1.00 0.00 C ATOM 338 O VAL A 22 4.965 4.610 13.552 1.00 0.00 O ATOM 339 CB VAL A 22 2.730 6.558 12.096 1.00 0.00 C ATOM 340 CG1 VAL A 22 2.001 5.401 12.777 1.00 0.00 C ATOM 341 CG2 VAL A 22 2.025 7.874 12.371 1.00 0.00 C ATOM 0 H VAL A 22 4.452 7.935 10.916 1.00 0.00 H new ATOM 0 HA VAL A 22 4.192 7.022 13.596 1.00 0.00 H new ATOM 0 HB VAL A 22 2.720 6.353 11.025 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.972 5.359 12.420 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.505 4.464 12.541 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.005 5.553 13.856 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.988 7.807 12.042 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.053 8.085 13.440 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.527 8.676 11.829 1.00 0.00 H new ATOM 351 N LEU A 23 5.349 4.906 11.363 1.00 0.00 N ATOM 352 CA LEU A 23 6.192 3.725 11.256 1.00 0.00 C ATOM 353 C LEU A 23 7.463 3.888 12.082 1.00 0.00 C ATOM 354 O LEU A 23 7.756 3.056 12.939 1.00 0.00 O ATOM 355 CB LEU A 23 6.541 3.437 9.795 1.00 0.00 C ATOM 356 CG LEU A 23 5.392 2.874 8.957 1.00 0.00 C ATOM 357 CD1 LEU A 23 5.827 2.685 7.512 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.911 1.554 9.550 1.00 0.00 C ATOM 0 H LEU A 23 5.168 5.383 10.480 1.00 0.00 H new ATOM 0 HA LEU A 23 5.632 2.877 11.651 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.891 4.359 9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.371 2.731 9.767 1.00 0.00 H new ATOM 0 HG LEU A 23 4.566 3.585 8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.996 2.284 6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.131 3.645 7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.666 1.990 7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.093 1.161 8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.733 0.838 9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.563 1.719 10.570 1.00 0.00 H new ATOM 370 N GLU A 24 8.185 4.981 11.858 1.00 0.00 N ATOM 371 CA GLU A 24 9.449 5.227 12.548 1.00 0.00 C ATOM 372 C GLU A 24 9.234 5.421 14.053 1.00 0.00 C ATOM 373 O GLU A 24 10.162 5.268 14.845 1.00 0.00 O ATOM 374 CB GLU A 24 10.161 6.443 11.946 1.00 0.00 C ATOM 375 CG GLU A 24 11.575 6.640 12.468 1.00 0.00 C ATOM 376 CD GLU A 24 12.289 7.800 11.812 1.00 0.00 C ATOM 377 OE1 GLU A 24 12.067 8.954 12.233 1.00 0.00 O ATOM 378 OE2 GLU A 24 13.093 7.562 10.885 1.00 0.00 O ATOM 0 H GLU A 24 7.916 5.714 11.202 1.00 0.00 H new ATOM 0 HA GLU A 24 10.081 4.349 12.412 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.195 6.334 10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.576 7.338 12.158 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.540 6.804 13.545 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.148 5.727 12.303 1.00 0.00 H new ATOM 385 N LYS A 25 8.001 5.731 14.437 1.00 0.00 N ATOM 386 CA LYS A 25 7.620 5.871 15.842 1.00 0.00 C ATOM 387 C LYS A 25 7.966 4.597 16.608 1.00 0.00 C ATOM 388 O LYS A 25 8.377 4.640 17.766 1.00 0.00 O ATOM 389 CB LYS A 25 6.118 6.162 15.936 1.00 0.00 C ATOM 390 CG LYS A 25 5.626 6.574 17.314 1.00 0.00 C ATOM 391 CD LYS A 25 6.228 7.899 17.754 1.00 0.00 C ATOM 392 CE LYS A 25 5.390 8.556 18.841 1.00 0.00 C ATOM 393 NZ LYS A 25 5.217 7.681 20.030 1.00 0.00 N ATOM 0 H LYS A 25 7.235 5.893 13.784 1.00 0.00 H new ATOM 0 HA LYS A 25 8.171 6.700 16.287 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.872 6.953 15.228 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.571 5.273 15.623 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.539 6.654 17.303 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.881 5.800 18.038 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.241 7.736 18.122 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.304 8.568 16.897 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.863 9.490 19.146 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.411 8.812 18.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.727 8.208 20.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.653 6.847 19.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.149 7.374 20.374 1.00 0.00 H new ATOM 407 N HIS A 26 7.805 3.463 15.939 1.00 0.00 N ATOM 408 CA HIS A 26 8.210 2.180 16.500 1.00 0.00 C ATOM 409 C HIS A 26 9.254 1.541 15.586 1.00 0.00 C ATOM 410 O HIS A 26 9.488 0.331 15.628 1.00 0.00 O ATOM 411 CB HIS A 26 6.995 1.254 16.691 1.00 0.00 C ATOM 412 CG HIS A 26 6.388 0.739 15.430 1.00 0.00 C ATOM 413 ND1 HIS A 26 6.456 -0.584 15.060 1.00 0.00 N ATOM 414 CD2 HIS A 26 5.685 1.365 14.460 1.00 0.00 C ATOM 415 CE1 HIS A 26 5.826 -0.752 13.921 1.00 0.00 C ATOM 416 NE2 HIS A 26 5.348 0.416 13.534 1.00 0.00 N ATOM 0 H HIS A 26 7.396 3.405 15.006 1.00 0.00 H new ATOM 0 HA HIS A 26 8.650 2.340 17.485 1.00 0.00 H new ATOM 0 HB2 HIS A 26 7.298 0.405 17.304 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.231 1.794 17.250 1.00 0.00 H new ATOM 0 HD1 HIS A 26 6.924 -1.320 15.589 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.436 2.415 14.423 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.717 -1.687 13.391 1.00 0.00 H new ATOM 425 N LYS A 27 9.848 2.393 14.746 1.00 0.00 N ATOM 426 CA LYS A 27 10.904 2.021 13.797 1.00 0.00 C ATOM 427 C LYS A 27 10.332 1.332 12.564 1.00 0.00 C ATOM 428 O LYS A 27 10.582 1.765 11.443 1.00 0.00 O ATOM 429 CB LYS A 27 11.982 1.156 14.456 1.00 0.00 C ATOM 430 CG LYS A 27 13.130 0.806 13.525 1.00 0.00 C ATOM 431 CD LYS A 27 14.246 0.093 14.263 1.00 0.00 C ATOM 432 CE LYS A 27 15.373 -0.290 13.320 1.00 0.00 C ATOM 433 NZ LYS A 27 16.531 -0.868 14.047 1.00 0.00 N ATOM 0 H LYS A 27 9.604 3.382 14.705 1.00 0.00 H new ATOM 0 HA LYS A 27 11.378 2.947 13.472 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.377 1.681 15.326 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.526 0.235 14.820 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.764 0.173 12.717 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.518 1.715 13.067 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.633 0.737 15.053 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.853 -0.802 14.746 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.006 -1.011 12.590 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.696 0.590 12.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.279 -1.116 13.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.898 -0.171 14.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.229 -1.723 14.557 1.00 0.00 H new ATOM 447 N ALA A 28 9.545 0.289 12.798 1.00 0.00 N ATOM 448 CA ALA A 28 8.917 -0.504 11.738 1.00 0.00 C ATOM 449 C ALA A 28 9.895 -0.899 10.630 1.00 0.00 C ATOM 450 O ALA A 28 10.020 -0.203 9.620 1.00 0.00 O ATOM 451 CB ALA A 28 7.730 0.236 11.148 1.00 0.00 C ATOM 0 H ALA A 28 9.320 -0.037 13.738 1.00 0.00 H new ATOM 0 HA ALA A 28 8.574 -1.427 12.205 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.278 -0.370 10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.994 0.425 11.930 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.065 1.184 10.728 1.00 0.00 H new ATOM 457 N PRO A 29 10.606 -2.021 10.805 1.00 0.00 N ATOM 458 CA PRO A 29 11.479 -2.562 9.760 1.00 0.00 C ATOM 459 C PRO A 29 10.689 -2.876 8.492 1.00 0.00 C ATOM 460 O PRO A 29 9.482 -3.128 8.558 1.00 0.00 O ATOM 461 CB PRO A 29 12.038 -3.845 10.384 1.00 0.00 C ATOM 462 CG PRO A 29 11.876 -3.658 11.854 1.00 0.00 C ATOM 463 CD PRO A 29 10.629 -2.841 12.025 1.00 0.00 C ATOM 0 HA PRO A 29 12.258 -1.861 9.459 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.495 -4.723 10.035 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.085 -3.991 10.117 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.788 -4.618 12.363 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.740 -3.148 12.281 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.742 -3.469 12.107 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.668 -2.227 12.924 1.00 0.00 H new ATOM 471 N THR A 30 11.371 -2.872 7.350 1.00 0.00 N ATOM 472 CA THR A 30 10.728 -3.043 6.047 1.00 0.00 C ATOM 473 C THR A 30 9.793 -4.255 6.023 1.00 0.00 C ATOM 474 O THR A 30 8.677 -4.174 5.511 1.00 0.00 O ATOM 475 CB THR A 30 11.789 -3.190 4.944 1.00 0.00 C ATOM 476 OG1 THR A 30 12.814 -2.206 5.139 1.00 0.00 O ATOM 477 CG2 THR A 30 11.173 -3.016 3.563 1.00 0.00 C ATOM 0 H THR A 30 12.382 -2.751 7.300 1.00 0.00 H new ATOM 0 HA THR A 30 10.128 -2.152 5.865 1.00 0.00 H new ATOM 0 HB THR A 30 12.214 -4.192 5.004 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.975 -1.731 4.297 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.947 -3.125 2.803 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.404 -3.773 3.409 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.726 -2.025 3.486 1.00 0.00 H new ATOM 485 N ASP A 31 10.253 -5.360 6.602 1.00 0.00 N ATOM 486 CA ASP A 31 9.464 -6.592 6.694 1.00 0.00 C ATOM 487 C ASP A 31 8.092 -6.321 7.318 1.00 0.00 C ATOM 488 O ASP A 31 7.046 -6.672 6.756 1.00 0.00 O ATOM 489 CB ASP A 31 10.236 -7.617 7.534 1.00 0.00 C ATOM 490 CG ASP A 31 9.529 -8.954 7.667 1.00 0.00 C ATOM 491 OD1 ASP A 31 9.310 -9.621 6.634 1.00 0.00 O ATOM 492 OD2 ASP A 31 9.240 -9.367 8.812 1.00 0.00 O ATOM 0 H ASP A 31 11.180 -5.431 7.021 1.00 0.00 H new ATOM 0 HA ASP A 31 9.300 -6.985 5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.216 -7.777 7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.405 -7.205 8.529 1.00 0.00 H new ATOM 497 N LEU A 32 8.109 -5.647 8.458 1.00 0.00 N ATOM 498 CA LEU A 32 6.897 -5.349 9.205 1.00 0.00 C ATOM 499 C LEU A 32 6.038 -4.334 8.458 1.00 0.00 C ATOM 500 O LEU A 32 4.819 -4.486 8.365 1.00 0.00 O ATOM 501 CB LEU A 32 7.263 -4.817 10.593 1.00 0.00 C ATOM 502 CG LEU A 32 6.083 -4.504 11.512 1.00 0.00 C ATOM 503 CD1 LEU A 32 5.235 -5.744 11.740 1.00 0.00 C ATOM 504 CD2 LEU A 32 6.581 -3.954 12.837 1.00 0.00 C ATOM 0 H LEU A 32 8.962 -5.292 8.890 1.00 0.00 H new ATOM 0 HA LEU A 32 6.319 -6.267 9.315 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.901 -5.550 11.087 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.855 -3.910 10.470 1.00 0.00 H new ATOM 0 HG LEU A 32 5.462 -3.749 11.029 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.401 -5.498 12.397 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.851 -6.103 10.785 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.844 -6.521 12.202 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.731 -3.735 13.483 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.222 -4.692 13.319 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.148 -3.040 12.661 1.00 0.00 H new ATOM 516 N SER A 33 6.685 -3.314 7.915 1.00 0.00 N ATOM 517 CA SER A 33 5.991 -2.256 7.202 1.00 0.00 C ATOM 518 C SER A 33 5.287 -2.789 5.953 1.00 0.00 C ATOM 519 O SER A 33 4.158 -2.401 5.663 1.00 0.00 O ATOM 520 CB SER A 33 6.974 -1.145 6.837 1.00 0.00 C ATOM 521 OG SER A 33 7.578 -0.617 8.006 1.00 0.00 O ATOM 0 H SER A 33 7.698 -3.198 7.956 1.00 0.00 H new ATOM 0 HA SER A 33 5.222 -1.849 7.859 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.741 -1.535 6.168 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.454 -0.353 6.299 1.00 0.00 H new ATOM 0 HG SER A 33 8.239 -1.254 8.349 1.00 0.00 H new ATOM 527 N LEU A 34 5.940 -3.694 5.230 1.00 0.00 N ATOM 528 CA LEU A 34 5.343 -4.279 4.034 1.00 0.00 C ATOM 529 C LEU A 34 4.078 -5.052 4.387 1.00 0.00 C ATOM 530 O LEU A 34 3.045 -4.902 3.730 1.00 0.00 O ATOM 531 CB LEU A 34 6.336 -5.197 3.314 1.00 0.00 C ATOM 532 CG LEU A 34 7.539 -4.493 2.678 1.00 0.00 C ATOM 533 CD1 LEU A 34 8.464 -5.511 2.028 1.00 0.00 C ATOM 534 CD2 LEU A 34 7.078 -3.462 1.656 1.00 0.00 C ATOM 0 H LEU A 34 6.876 -4.036 5.449 1.00 0.00 H new ATOM 0 HA LEU A 34 5.080 -3.463 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.704 -5.936 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.802 -5.742 2.536 1.00 0.00 H new ATOM 0 HG LEU A 34 8.090 -3.974 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.314 -4.996 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.821 -6.212 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.921 -6.055 1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.947 -2.973 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.504 -3.957 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.452 -2.717 2.148 1.00 0.00 H new ATOM 546 N MET A 35 4.155 -5.865 5.438 1.00 0.00 N ATOM 547 CA MET A 35 2.996 -6.635 5.885 1.00 0.00 C ATOM 548 C MET A 35 1.869 -5.712 6.346 1.00 0.00 C ATOM 549 O MET A 35 0.692 -5.979 6.093 1.00 0.00 O ATOM 550 CB MET A 35 3.377 -7.593 7.015 1.00 0.00 C ATOM 551 CG MET A 35 4.315 -8.710 6.580 1.00 0.00 C ATOM 552 SD MET A 35 4.648 -9.897 7.899 1.00 0.00 S ATOM 553 CE MET A 35 5.497 -8.860 9.087 1.00 0.00 C ATOM 0 H MET A 35 5.000 -6.007 5.992 1.00 0.00 H new ATOM 0 HA MET A 35 2.644 -7.219 5.035 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.849 -7.025 7.817 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.469 -8.033 7.428 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.880 -9.233 5.728 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.256 -8.277 6.241 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.892 -9.478 9.893 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.318 -8.339 8.594 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.799 -8.131 9.498 1.00 0.00 H new ATOM 563 N ALA A 36 2.237 -4.627 7.012 1.00 0.00 N ATOM 564 CA ALA A 36 1.259 -3.671 7.519 1.00 0.00 C ATOM 565 C ALA A 36 0.583 -2.911 6.381 1.00 0.00 C ATOM 566 O ALA A 36 -0.646 -2.881 6.292 1.00 0.00 O ATOM 567 CB ALA A 36 1.920 -2.699 8.484 1.00 0.00 C ATOM 0 H ALA A 36 3.207 -4.385 7.215 1.00 0.00 H new ATOM 0 HA ALA A 36 0.490 -4.230 8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.177 -1.992 8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.345 -3.251 9.323 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.712 -2.157 7.968 1.00 0.00 H new ATOM 573 N LEU A 37 1.387 -2.314 5.507 1.00 0.00 N ATOM 574 CA LEU A 37 0.872 -1.508 4.402 1.00 0.00 C ATOM 575 C LEU A 37 -0.032 -2.325 3.483 1.00 0.00 C ATOM 576 O LEU A 37 -1.074 -1.838 3.043 1.00 0.00 O ATOM 577 CB LEU A 37 2.024 -0.895 3.597 1.00 0.00 C ATOM 578 CG LEU A 37 2.470 0.509 4.035 1.00 0.00 C ATOM 579 CD1 LEU A 37 1.339 1.508 3.854 1.00 0.00 C ATOM 580 CD2 LEU A 37 2.948 0.508 5.480 1.00 0.00 C ATOM 0 H LEU A 37 2.405 -2.373 5.542 1.00 0.00 H new ATOM 0 HA LEU A 37 0.275 -0.706 4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.882 -1.564 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.728 -0.852 2.549 1.00 0.00 H new ATOM 0 HG LEU A 37 3.306 0.807 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.673 2.497 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.047 1.541 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.485 1.204 4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.257 1.515 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.137 0.182 6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.793 -0.173 5.583 1.00 0.00 H new ATOM 592 N GLY A 38 0.360 -3.567 3.214 1.00 0.00 N ATOM 593 CA GLY A 38 -0.435 -4.433 2.358 1.00 0.00 C ATOM 594 C GLY A 38 -1.853 -4.606 2.867 1.00 0.00 C ATOM 595 O GLY A 38 -2.810 -4.613 2.089 1.00 0.00 O ATOM 0 H GLY A 38 1.215 -3.991 3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.462 -4.018 1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.045 -5.409 2.288 1.00 0.00 H new ATOM 599 N ASN A 39 -1.994 -4.725 4.179 1.00 0.00 N ATOM 600 CA ASN A 39 -3.307 -4.884 4.785 1.00 0.00 C ATOM 601 C ASN A 39 -4.047 -3.557 4.836 1.00 0.00 C ATOM 602 O ASN A 39 -5.259 -3.521 4.678 1.00 0.00 O ATOM 603 CB ASN A 39 -3.207 -5.482 6.191 1.00 0.00 C ATOM 604 CG ASN A 39 -2.999 -6.985 6.173 1.00 0.00 C ATOM 605 OD1 ASN A 39 -3.960 -7.753 6.131 1.00 0.00 O ATOM 606 ND2 ASN A 39 -1.749 -7.420 6.224 1.00 0.00 N ATOM 0 H ASN A 39 -1.219 -4.715 4.842 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.870 -5.576 4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.381 -5.011 6.724 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.117 -5.252 6.745 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.557 -8.422 6.229 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.978 -6.753 6.258 1.00 0.00 H new ATOM 613 N CYS A 40 -3.316 -2.466 5.040 1.00 0.00 N ATOM 614 CA CYS A 40 -3.925 -1.140 5.126 1.00 0.00 C ATOM 615 C CYS A 40 -4.592 -0.755 3.807 1.00 0.00 C ATOM 616 O CYS A 40 -5.728 -0.282 3.795 1.00 0.00 O ATOM 617 CB CYS A 40 -2.876 -0.092 5.509 1.00 0.00 C ATOM 618 SG CYS A 40 -2.067 -0.403 7.096 1.00 0.00 S ATOM 0 H CYS A 40 -2.302 -2.472 5.149 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.691 -1.174 5.901 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.117 -0.051 4.728 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.352 0.888 5.542 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.562 -1.601 7.098 1.00 0.00 H new ATOM 624 N VAL A 41 -3.887 -0.976 2.698 1.00 0.00 N ATOM 625 CA VAL A 41 -4.428 -0.668 1.377 1.00 0.00 C ATOM 626 C VAL A 41 -5.686 -1.493 1.116 1.00 0.00 C ATOM 627 O VAL A 41 -6.713 -0.963 0.689 1.00 0.00 O ATOM 628 CB VAL A 41 -3.393 -0.932 0.258 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.947 -0.532 -1.104 1.00 0.00 C ATOM 630 CG2 VAL A 41 -2.095 -0.189 0.540 1.00 0.00 C ATOM 0 H VAL A 41 -2.944 -1.365 2.689 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.676 0.393 1.365 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.184 -2.002 0.241 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.199 -0.728 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.846 -1.111 -1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.193 0.530 -1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.381 -0.388 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.292 0.882 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.681 -0.528 1.490 1.00 0.00 H new ATOM 640 N THR A 42 -5.606 -2.786 1.410 1.00 0.00 N ATOM 641 CA THR A 42 -6.740 -3.685 1.242 1.00 0.00 C ATOM 642 C THR A 42 -7.891 -3.285 2.172 1.00 0.00 C ATOM 643 O THR A 42 -9.059 -3.295 1.784 1.00 0.00 O ATOM 644 CB THR A 42 -6.327 -5.143 1.537 1.00 0.00 C ATOM 645 OG1 THR A 42 -5.162 -5.485 0.770 1.00 0.00 O ATOM 646 CG2 THR A 42 -7.455 -6.110 1.206 1.00 0.00 C ATOM 0 H THR A 42 -4.763 -3.236 1.767 1.00 0.00 H new ATOM 0 HA THR A 42 -7.074 -3.610 0.207 1.00 0.00 H new ATOM 0 HB THR A 42 -6.104 -5.223 2.601 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.358 -5.204 1.254 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.136 -7.129 1.424 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.331 -5.867 1.808 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.707 -6.027 0.149 1.00 0.00 H new ATOM 654 N HIS A 43 -7.531 -2.899 3.392 1.00 0.00 N ATOM 655 CA HIS A 43 -8.499 -2.538 4.424 1.00 0.00 C ATOM 656 C HIS A 43 -9.321 -1.321 4.000 1.00 0.00 C ATOM 657 O HIS A 43 -10.502 -1.217 4.326 1.00 0.00 O ATOM 658 CB HIS A 43 -7.760 -2.250 5.736 1.00 0.00 C ATOM 659 CG HIS A 43 -8.635 -2.200 6.949 1.00 0.00 C ATOM 660 ND1 HIS A 43 -8.804 -3.273 7.794 1.00 0.00 N ATOM 661 CD2 HIS A 43 -9.369 -1.192 7.470 1.00 0.00 C ATOM 662 CE1 HIS A 43 -9.606 -2.930 8.784 1.00 0.00 C ATOM 663 NE2 HIS A 43 -9.963 -1.670 8.613 1.00 0.00 N ATOM 0 H HIS A 43 -6.559 -2.827 3.694 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.186 -3.372 4.569 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.000 -3.017 5.885 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.238 -1.298 5.642 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.470 -0.196 7.064 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.917 -3.570 9.596 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.579 -1.139 9.229 1.00 0.00 H new ATOM 672 N LEU A 44 -8.690 -0.401 3.281 1.00 0.00 N ATOM 673 CA LEU A 44 -9.386 0.779 2.776 1.00 0.00 C ATOM 674 C LEU A 44 -10.359 0.391 1.675 1.00 0.00 C ATOM 675 O LEU A 44 -11.474 0.919 1.600 1.00 0.00 O ATOM 676 CB LEU A 44 -8.388 1.811 2.248 1.00 0.00 C ATOM 677 CG LEU A 44 -7.458 2.416 3.299 1.00 0.00 C ATOM 678 CD1 LEU A 44 -6.500 3.398 2.651 1.00 0.00 C ATOM 679 CD2 LEU A 44 -8.262 3.101 4.393 1.00 0.00 C ATOM 0 H LEU A 44 -7.701 -0.447 3.034 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.943 1.222 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.779 1.342 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.943 2.618 1.770 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.878 1.612 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.843 3.821 3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.901 2.881 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.066 4.198 2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.583 3.526 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.867 3.896 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.914 2.373 4.876 1.00 0.00 H new ATOM 691 N LEU A 45 -9.936 -0.544 0.829 1.00 0.00 N ATOM 692 CA LEU A 45 -10.761 -1.033 -0.266 1.00 0.00 C ATOM 693 C LEU A 45 -12.037 -1.675 0.269 1.00 0.00 C ATOM 694 O LEU A 45 -13.120 -1.466 -0.268 1.00 0.00 O ATOM 695 CB LEU A 45 -9.987 -2.044 -1.117 1.00 0.00 C ATOM 696 CG LEU A 45 -8.764 -1.483 -1.853 1.00 0.00 C ATOM 697 CD1 LEU A 45 -8.014 -2.597 -2.566 1.00 0.00 C ATOM 698 CD2 LEU A 45 -9.186 -0.411 -2.845 1.00 0.00 C ATOM 0 H LEU A 45 -9.016 -0.981 0.884 1.00 0.00 H new ATOM 0 HA LEU A 45 -11.030 -0.182 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.660 -2.860 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.668 -2.472 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.097 -1.032 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.149 -2.181 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.680 -3.335 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.674 -3.075 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.306 -0.024 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.872 -0.841 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.683 0.401 -2.314 1.00 0.00 H new ATOM 710 N GLU A 46 -11.899 -2.441 1.344 1.00 0.00 N ATOM 711 CA GLU A 46 -13.040 -3.127 1.948 1.00 0.00 C ATOM 712 C GLU A 46 -13.965 -2.147 2.674 1.00 0.00 C ATOM 713 O GLU A 46 -15.090 -2.506 3.037 1.00 0.00 O ATOM 714 CB GLU A 46 -12.558 -4.201 2.924 1.00 0.00 C ATOM 715 CG GLU A 46 -11.755 -5.314 2.274 1.00 0.00 C ATOM 716 CD GLU A 46 -11.324 -6.376 3.269 1.00 0.00 C ATOM 717 OE1 GLU A 46 -10.333 -6.146 3.992 1.00 0.00 O ATOM 718 OE2 GLU A 46 -11.980 -7.435 3.343 1.00 0.00 O ATOM 0 H GLU A 46 -11.010 -2.604 1.817 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.606 -3.596 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.948 -3.729 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.423 -4.636 3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.352 -5.777 1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.873 -4.889 1.795 1.00 0.00 H new ATOM 725 N ARG A 47 -13.512 -0.923 2.884 1.00 0.00 N ATOM 726 CA ARG A 47 -14.288 0.051 3.644 1.00 0.00 C ATOM 727 C ARG A 47 -14.974 1.078 2.752 1.00 0.00 C ATOM 728 O ARG A 47 -16.200 1.106 2.657 1.00 0.00 O ATOM 729 CB ARG A 47 -13.415 0.763 4.674 1.00 0.00 C ATOM 730 CG ARG A 47 -13.140 -0.061 5.921 1.00 0.00 C ATOM 731 CD ARG A 47 -14.429 -0.484 6.609 1.00 0.00 C ATOM 732 NE ARG A 47 -15.312 0.650 6.892 1.00 0.00 N ATOM 733 CZ ARG A 47 -15.938 0.833 8.053 1.00 0.00 C ATOM 734 NH1 ARG A 47 -15.727 -0.002 9.061 1.00 0.00 N ATOM 735 NH2 ARG A 47 -16.773 1.857 8.206 1.00 0.00 N ATOM 0 H ARG A 47 -12.615 -0.578 2.542 1.00 0.00 H new ATOM 0 HA ARG A 47 -15.067 -0.512 4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.466 1.029 4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.900 1.695 4.965 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.563 -0.946 5.653 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.531 0.519 6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.955 -1.201 5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.189 -0.995 7.541 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.456 1.341 6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.084 -0.786 8.948 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.207 0.140 9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -16.934 2.503 7.434 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.252 1.996 9.096 1.00 0.00 H new ATOM 749 N LYS A 48 -14.188 1.927 2.099 1.00 0.00 N ATOM 750 CA LYS A 48 -14.760 3.059 1.374 1.00 0.00 C ATOM 751 C LYS A 48 -14.714 2.855 -0.130 1.00 0.00 C ATOM 752 O LYS A 48 -14.872 3.804 -0.897 1.00 0.00 O ATOM 753 CB LYS A 48 -14.051 4.366 1.754 1.00 0.00 C ATOM 754 CG LYS A 48 -14.325 4.825 3.180 1.00 0.00 C ATOM 755 CD LYS A 48 -14.052 6.315 3.357 1.00 0.00 C ATOM 756 CE LYS A 48 -12.573 6.653 3.256 1.00 0.00 C ATOM 757 NZ LYS A 48 -12.337 8.126 3.229 1.00 0.00 N ATOM 0 H LYS A 48 -13.171 1.857 2.055 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.808 3.127 1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.977 4.236 1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.362 5.150 1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.363 4.612 3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.702 4.257 3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.601 6.874 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.429 6.637 4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.043 6.216 4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.159 6.203 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.316 8.313 3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.821 8.540 2.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.709 8.553 4.101 1.00 0.00 H new ATOM 771 N VAL A 49 -14.506 1.620 -0.557 1.00 0.00 N ATOM 772 CA VAL A 49 -14.518 1.297 -1.973 1.00 0.00 C ATOM 773 C VAL A 49 -15.546 0.205 -2.255 1.00 0.00 C ATOM 774 O VAL A 49 -15.508 -0.867 -1.643 1.00 0.00 O ATOM 775 CB VAL A 49 -13.128 0.842 -2.478 1.00 0.00 C ATOM 776 CG1 VAL A 49 -13.151 0.587 -3.977 1.00 0.00 C ATOM 777 CG2 VAL A 49 -12.067 1.873 -2.129 1.00 0.00 C ATOM 0 H VAL A 49 -14.327 0.825 0.057 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.787 2.207 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.877 -0.094 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.162 0.268 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.878 -0.194 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.430 1.503 -4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.097 1.534 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.317 2.825 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.025 2.000 -1.047 1.00 0.00 H new ATOM 787 N PRO A 50 -16.498 0.474 -3.162 1.00 0.00 N ATOM 788 CA PRO A 50 -17.511 -0.502 -3.562 1.00 0.00 C ATOM 789 C PRO A 50 -16.877 -1.785 -4.089 1.00 0.00 C ATOM 790 O PRO A 50 -15.875 -1.740 -4.809 1.00 0.00 O ATOM 791 CB PRO A 50 -18.299 0.207 -4.672 1.00 0.00 C ATOM 792 CG PRO A 50 -17.457 1.371 -5.077 1.00 0.00 C ATOM 793 CD PRO A 50 -16.667 1.756 -3.861 1.00 0.00 C ATOM 0 HA PRO A 50 -18.138 -0.806 -2.724 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.477 -0.461 -5.515 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.275 0.534 -4.313 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -16.797 1.106 -5.903 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -18.077 2.200 -5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.708 2.201 -4.126 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.198 2.484 -3.248 1.00 0.00 H new ATOM 801 N SER A 51 -17.471 -2.918 -3.738 1.00 0.00 N ATOM 802 CA SER A 51 -16.924 -4.230 -4.068 1.00 0.00 C ATOM 803 C SER A 51 -16.686 -4.388 -5.573 1.00 0.00 C ATOM 804 O SER A 51 -15.769 -5.085 -5.997 1.00 0.00 O ATOM 805 CB SER A 51 -17.886 -5.306 -3.571 1.00 0.00 C ATOM 806 OG SER A 51 -18.268 -5.050 -2.228 1.00 0.00 O ATOM 0 H SER A 51 -18.347 -2.955 -3.216 1.00 0.00 H new ATOM 0 HA SER A 51 -15.956 -4.334 -3.577 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.770 -5.334 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 51 -17.413 -6.285 -3.640 1.00 0.00 H new ATOM 0 HG SER A 51 -18.886 -5.748 -1.925 1.00 0.00 H new ATOM 812 N GLU A 52 -17.504 -3.718 -6.369 1.00 0.00 N ATOM 813 CA GLU A 52 -17.400 -3.790 -7.821 1.00 0.00 C ATOM 814 C GLU A 52 -16.187 -3.017 -8.347 1.00 0.00 C ATOM 815 O GLU A 52 -15.642 -3.349 -9.402 1.00 0.00 O ATOM 816 CB GLU A 52 -18.680 -3.240 -8.456 1.00 0.00 C ATOM 817 CG GLU A 52 -19.045 -1.847 -7.967 1.00 0.00 C ATOM 818 CD GLU A 52 -20.308 -1.312 -8.604 1.00 0.00 C ATOM 819 OE1 GLU A 52 -21.379 -1.922 -8.413 1.00 0.00 O ATOM 820 OE2 GLU A 52 -20.238 -0.269 -9.286 1.00 0.00 O ATOM 0 H GLU A 52 -18.253 -3.113 -6.032 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.268 -4.837 -8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.559 -3.217 -9.539 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -19.504 -3.920 -8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -19.171 -1.869 -6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -18.221 -1.166 -8.178 1.00 0.00 H new ATOM 827 N SER A 53 -15.750 -2.007 -7.603 1.00 0.00 N ATOM 828 CA SER A 53 -14.720 -1.098 -8.090 1.00 0.00 C ATOM 829 C SER A 53 -13.362 -1.370 -7.443 1.00 0.00 C ATOM 830 O SER A 53 -12.347 -0.815 -7.868 1.00 0.00 O ATOM 831 CB SER A 53 -15.143 0.352 -7.838 1.00 0.00 C ATOM 832 OG SER A 53 -14.266 1.267 -8.475 1.00 0.00 O ATOM 0 H SER A 53 -16.091 -1.798 -6.665 1.00 0.00 H new ATOM 0 HA SER A 53 -14.610 -1.267 -9.161 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.158 0.505 -8.204 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.158 0.547 -6.766 1.00 0.00 H new ATOM 0 HG SER A 53 -13.365 0.883 -8.515 1.00 0.00 H new ATOM 838 N ARG A 54 -13.341 -2.221 -6.420 1.00 0.00 N ATOM 839 CA ARG A 54 -12.099 -2.535 -5.710 1.00 0.00 C ATOM 840 C ARG A 54 -11.055 -3.104 -6.666 1.00 0.00 C ATOM 841 O ARG A 54 -9.885 -2.727 -6.622 1.00 0.00 O ATOM 842 CB ARG A 54 -12.358 -3.541 -4.585 1.00 0.00 C ATOM 843 CG ARG A 54 -13.306 -3.042 -3.512 1.00 0.00 C ATOM 844 CD ARG A 54 -13.565 -4.114 -2.467 1.00 0.00 C ATOM 845 NE ARG A 54 -14.520 -3.673 -1.454 1.00 0.00 N ATOM 846 CZ ARG A 54 -15.221 -4.504 -0.684 1.00 0.00 C ATOM 847 NH1 ARG A 54 -15.078 -5.818 -0.818 1.00 0.00 N ATOM 848 NH2 ARG A 54 -16.067 -4.023 0.219 1.00 0.00 N ATOM 0 H ARG A 54 -14.165 -2.705 -6.064 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.720 -1.607 -5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.765 -4.455 -5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.407 -3.803 -4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.885 -2.158 -3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.249 -2.739 -3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.944 -5.012 -2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.625 -4.385 -1.986 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.658 -2.670 -1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.430 -6.192 -1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.616 -6.452 -0.227 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.182 -3.015 0.325 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.602 -4.661 0.807 1.00 0.00 H new ATOM 862 N GLN A 55 -11.503 -3.997 -7.539 1.00 0.00 N ATOM 863 CA GLN A 55 -10.627 -4.663 -8.494 1.00 0.00 C ATOM 864 C GLN A 55 -9.992 -3.648 -9.438 1.00 0.00 C ATOM 865 O GLN A 55 -8.795 -3.705 -9.710 1.00 0.00 O ATOM 866 CB GLN A 55 -11.406 -5.706 -9.309 1.00 0.00 C ATOM 867 CG GLN A 55 -11.970 -6.868 -8.493 1.00 0.00 C ATOM 868 CD GLN A 55 -13.047 -6.446 -7.509 1.00 0.00 C ATOM 869 OE1 GLN A 55 -12.766 -6.177 -6.345 1.00 0.00 O ATOM 870 NE2 GLN A 55 -14.279 -6.344 -7.976 1.00 0.00 N ATOM 0 H GLN A 55 -12.481 -4.279 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.841 -5.167 -7.932 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.229 -5.206 -9.820 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.749 -6.108 -10.081 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.381 -7.614 -9.173 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.157 -7.348 -7.947 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.476 -6.576 -8.949 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.033 -6.033 -7.363 1.00 0.00 H new ATOM 879 N ALA A 56 -10.802 -2.710 -9.917 1.00 0.00 N ATOM 880 CA ALA A 56 -10.329 -1.684 -10.835 1.00 0.00 C ATOM 881 C ALA A 56 -9.234 -0.847 -10.188 1.00 0.00 C ATOM 882 O ALA A 56 -8.207 -0.558 -10.808 1.00 0.00 O ATOM 883 CB ALA A 56 -11.483 -0.800 -11.281 1.00 0.00 C ATOM 0 H ALA A 56 -11.792 -2.640 -9.683 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.909 -2.175 -11.713 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.113 -0.038 -11.967 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.234 -1.409 -11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.930 -0.319 -10.411 1.00 0.00 H new ATOM 889 N VAL A 57 -9.450 -0.481 -8.930 1.00 0.00 N ATOM 890 CA VAL A 57 -8.470 0.285 -8.175 1.00 0.00 C ATOM 891 C VAL A 57 -7.199 -0.533 -7.965 1.00 0.00 C ATOM 892 O VAL A 57 -6.094 -0.021 -8.118 1.00 0.00 O ATOM 893 CB VAL A 57 -9.020 0.728 -6.802 1.00 0.00 C ATOM 894 CG1 VAL A 57 -7.968 1.498 -6.021 1.00 0.00 C ATOM 895 CG2 VAL A 57 -10.275 1.570 -6.971 1.00 0.00 C ATOM 0 H VAL A 57 -10.299 -0.704 -8.411 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.244 1.177 -8.759 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.279 -0.168 -6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.379 1.800 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.096 0.863 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.674 2.384 -6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.646 1.871 -5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.041 2.457 -7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.039 0.986 -7.484 1.00 0.00 H new ATOM 905 N ALA A 58 -7.371 -1.809 -7.635 1.00 0.00 N ATOM 906 CA ALA A 58 -6.242 -2.698 -7.382 1.00 0.00 C ATOM 907 C ALA A 58 -5.335 -2.809 -8.603 1.00 0.00 C ATOM 908 O ALA A 58 -4.110 -2.757 -8.482 1.00 0.00 O ATOM 909 CB ALA A 58 -6.735 -4.075 -6.957 1.00 0.00 C ATOM 0 H ALA A 58 -8.284 -2.252 -7.536 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.655 -2.269 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.881 -4.726 -6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.326 -3.985 -6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.351 -4.501 -7.749 1.00 0.00 H new ATOM 915 N GLU A 59 -5.940 -2.944 -9.779 1.00 0.00 N ATOM 916 CA GLU A 59 -5.181 -3.079 -11.016 1.00 0.00 C ATOM 917 C GLU A 59 -4.342 -1.836 -11.290 1.00 0.00 C ATOM 918 O GLU A 59 -3.146 -1.935 -11.568 1.00 0.00 O ATOM 919 CB GLU A 59 -6.112 -3.339 -12.200 1.00 0.00 C ATOM 920 CG GLU A 59 -6.948 -4.598 -12.063 1.00 0.00 C ATOM 921 CD GLU A 59 -7.834 -4.828 -13.267 1.00 0.00 C ATOM 922 OE1 GLU A 59 -8.652 -3.939 -13.587 1.00 0.00 O ATOM 923 OE2 GLU A 59 -7.719 -5.900 -13.899 1.00 0.00 O ATOM 0 H GLU A 59 -6.953 -2.963 -9.901 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.512 -3.931 -10.894 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.778 -2.484 -12.320 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.515 -3.408 -13.110 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.290 -5.456 -11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.566 -4.527 -11.168 1.00 0.00 H new ATOM 930 N GLN A 60 -4.964 -0.664 -11.202 1.00 0.00 N ATOM 931 CA GLN A 60 -4.264 0.582 -11.484 1.00 0.00 C ATOM 932 C GLN A 60 -3.272 0.919 -10.375 1.00 0.00 C ATOM 933 O GLN A 60 -2.235 1.527 -10.630 1.00 0.00 O ATOM 934 CB GLN A 60 -5.249 1.735 -11.692 1.00 0.00 C ATOM 935 CG GLN A 60 -6.167 1.996 -10.509 1.00 0.00 C ATOM 936 CD GLN A 60 -7.142 3.129 -10.762 1.00 0.00 C ATOM 937 OE1 GLN A 60 -7.552 3.375 -11.896 1.00 0.00 O ATOM 938 NE2 GLN A 60 -7.519 3.830 -9.705 1.00 0.00 N ATOM 0 H GLN A 60 -5.943 -0.552 -10.940 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.705 0.442 -12.409 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.686 2.643 -11.907 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.859 1.522 -12.570 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.724 1.088 -10.280 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.564 2.230 -9.632 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.156 3.595 -8.781 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.172 4.606 -9.814 1.00 0.00 H new ATOM 947 N PHE A 61 -3.588 0.512 -9.151 1.00 0.00 N ATOM 948 CA PHE A 61 -2.677 0.689 -8.025 1.00 0.00 C ATOM 949 C PHE A 61 -1.399 -0.101 -8.275 1.00 0.00 C ATOM 950 O PHE A 61 -0.295 0.359 -7.985 1.00 0.00 O ATOM 951 CB PHE A 61 -3.349 0.226 -6.726 1.00 0.00 C ATOM 952 CG PHE A 61 -2.511 0.420 -5.495 1.00 0.00 C ATOM 953 CD1 PHE A 61 -2.453 1.653 -4.869 1.00 0.00 C ATOM 954 CD2 PHE A 61 -1.790 -0.635 -4.959 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.689 1.832 -3.733 1.00 0.00 C ATOM 956 CE2 PHE A 61 -1.022 -0.461 -3.825 1.00 0.00 C ATOM 957 CZ PHE A 61 -0.972 0.773 -3.209 1.00 0.00 C ATOM 0 H PHE A 61 -4.469 0.057 -8.912 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.427 1.745 -7.925 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.287 0.768 -6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.601 -0.831 -6.817 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.011 2.484 -5.274 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.829 -1.604 -5.434 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.652 2.799 -3.254 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.461 -1.290 -3.420 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.374 0.911 -2.320 1.00 0.00 H new ATOM 967 N ALA A 62 -1.563 -1.282 -8.853 1.00 0.00 N ATOM 968 CA ALA A 62 -0.432 -2.141 -9.170 1.00 0.00 C ATOM 969 C ALA A 62 0.345 -1.568 -10.343 1.00 0.00 C ATOM 970 O ALA A 62 1.574 -1.626 -10.386 1.00 0.00 O ATOM 971 CB ALA A 62 -0.906 -3.550 -9.488 1.00 0.00 C ATOM 0 H ALA A 62 -2.471 -1.668 -9.112 1.00 0.00 H new ATOM 0 HA ALA A 62 0.225 -2.187 -8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.047 -4.179 -9.723 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.431 -3.961 -8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.580 -3.523 -10.344 1.00 0.00 H new ATOM 977 N LYS A 63 -0.395 -1.004 -11.286 1.00 0.00 N ATOM 978 CA LYS A 63 0.187 -0.363 -12.454 1.00 0.00 C ATOM 979 C LYS A 63 1.024 0.842 -12.035 1.00 0.00 C ATOM 980 O LYS A 63 2.121 1.060 -12.554 1.00 0.00 O ATOM 981 CB LYS A 63 -0.929 0.069 -13.405 1.00 0.00 C ATOM 982 CG LYS A 63 -0.442 0.604 -14.743 1.00 0.00 C ATOM 983 CD LYS A 63 -1.607 1.037 -15.622 1.00 0.00 C ATOM 984 CE LYS A 63 -2.571 -0.111 -15.887 1.00 0.00 C ATOM 985 NZ LYS A 63 -1.929 -1.214 -16.647 1.00 0.00 N ATOM 0 H LYS A 63 -1.414 -0.978 -11.263 1.00 0.00 H new ATOM 0 HA LYS A 63 0.839 -1.071 -12.965 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.586 -0.782 -13.585 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.529 0.837 -12.917 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.226 1.450 -14.578 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.137 -0.164 -15.255 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.141 1.856 -15.141 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.226 1.418 -16.569 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.946 -0.495 -14.939 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.432 0.260 -16.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.647 -1.919 -16.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.489 -0.832 -17.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.200 -1.664 -16.057 1.00 0.00 H new ATOM 999 N ALA A 64 0.502 1.612 -11.087 1.00 0.00 N ATOM 1000 CA ALA A 64 1.204 2.779 -10.566 1.00 0.00 C ATOM 1001 C ALA A 64 2.519 2.374 -9.912 1.00 0.00 C ATOM 1002 O ALA A 64 3.572 2.938 -10.217 1.00 0.00 O ATOM 1003 CB ALA A 64 0.326 3.527 -9.572 1.00 0.00 C ATOM 0 H ALA A 64 -0.410 1.448 -10.662 1.00 0.00 H new ATOM 0 HA ALA A 64 1.429 3.442 -11.402 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.865 4.395 -9.192 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.587 3.855 -10.068 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.071 2.867 -8.743 1.00 0.00 H new ATOM 1009 N LEU A 65 2.456 1.388 -9.022 1.00 0.00 N ATOM 1010 CA LEU A 65 3.647 0.885 -8.343 1.00 0.00 C ATOM 1011 C LEU A 65 4.667 0.357 -9.349 1.00 0.00 C ATOM 1012 O LEU A 65 5.849 0.700 -9.285 1.00 0.00 O ATOM 1013 CB LEU A 65 3.276 -0.220 -7.345 1.00 0.00 C ATOM 1014 CG LEU A 65 3.090 0.233 -5.892 1.00 0.00 C ATOM 1015 CD1 LEU A 65 2.012 1.296 -5.782 1.00 0.00 C ATOM 1016 CD2 LEU A 65 2.754 -0.957 -5.006 1.00 0.00 C ATOM 0 H LEU A 65 1.590 0.920 -8.753 1.00 0.00 H new ATOM 0 HA LEU A 65 4.095 1.716 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.353 -0.692 -7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.053 -0.984 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 65 4.029 0.671 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.903 1.597 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.292 2.161 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.066 0.894 -6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.625 -0.620 -3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.831 -1.421 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.565 -1.684 -5.050 1.00 0.00 H new ATOM 1028 N ALA A 66 4.197 -0.458 -10.287 1.00 0.00 N ATOM 1029 CA ALA A 66 5.065 -1.050 -11.301 1.00 0.00 C ATOM 1030 C ALA A 66 5.759 0.025 -12.133 1.00 0.00 C ATOM 1031 O ALA A 66 6.936 -0.108 -12.478 1.00 0.00 O ATOM 1032 CB ALA A 66 4.270 -1.984 -12.202 1.00 0.00 C ATOM 0 H ALA A 66 3.216 -0.725 -10.367 1.00 0.00 H new ATOM 0 HA ALA A 66 5.834 -1.626 -10.787 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.932 -2.417 -12.952 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.831 -2.781 -11.602 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.477 -1.424 -12.698 1.00 0.00 H new ATOM 1038 N GLN A 67 5.026 1.088 -12.450 1.00 0.00 N ATOM 1039 CA GLN A 67 5.577 2.193 -13.223 1.00 0.00 C ATOM 1040 C GLN A 67 6.563 2.997 -12.379 1.00 0.00 C ATOM 1041 O GLN A 67 7.601 3.434 -12.871 1.00 0.00 O ATOM 1042 CB GLN A 67 4.454 3.105 -13.730 1.00 0.00 C ATOM 1043 CG GLN A 67 4.939 4.234 -14.628 1.00 0.00 C ATOM 1044 CD GLN A 67 5.573 3.734 -15.912 1.00 0.00 C ATOM 1045 OE1 GLN A 67 6.777 3.490 -15.973 1.00 0.00 O ATOM 1046 NE2 GLN A 67 4.765 3.584 -16.950 1.00 0.00 N ATOM 0 H GLN A 67 4.049 1.206 -12.183 1.00 0.00 H new ATOM 0 HA GLN A 67 6.107 1.779 -14.081 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.729 2.503 -14.278 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.931 3.533 -12.874 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.099 4.884 -14.872 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.663 4.840 -14.083 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.772 3.797 -16.858 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.136 3.255 -17.842 1.00 0.00 H new ATOM 1055 N SER A 68 6.239 3.172 -11.103 1.00 0.00 N ATOM 1056 CA SER A 68 7.093 3.926 -10.194 1.00 0.00 C ATOM 1057 C SER A 68 8.465 3.266 -10.064 1.00 0.00 C ATOM 1058 O SER A 68 9.493 3.944 -10.084 1.00 0.00 O ATOM 1059 CB SER A 68 6.432 4.042 -8.818 1.00 0.00 C ATOM 1060 OG SER A 68 5.159 4.661 -8.916 1.00 0.00 O ATOM 0 H SER A 68 5.391 2.802 -10.675 1.00 0.00 H new ATOM 0 HA SER A 68 7.230 4.926 -10.606 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.325 3.051 -8.377 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.071 4.620 -8.151 1.00 0.00 H new ATOM 0 HG SER A 68 4.513 4.024 -9.288 1.00 0.00 H new ATOM 1066 N VAL A 69 8.469 1.941 -9.949 1.00 0.00 N ATOM 1067 CA VAL A 69 9.711 1.185 -9.846 1.00 0.00 C ATOM 1068 C VAL A 69 10.539 1.335 -11.123 1.00 0.00 C ATOM 1069 O VAL A 69 11.749 1.553 -11.068 1.00 0.00 O ATOM 1070 CB VAL A 69 9.438 -0.312 -9.576 1.00 0.00 C ATOM 1071 CG1 VAL A 69 10.740 -1.093 -9.467 1.00 0.00 C ATOM 1072 CG2 VAL A 69 8.607 -0.485 -8.311 1.00 0.00 C ATOM 0 H VAL A 69 7.625 1.369 -9.925 1.00 0.00 H new ATOM 0 HA VAL A 69 10.272 1.590 -9.004 1.00 0.00 H new ATOM 0 HB VAL A 69 8.874 -0.709 -10.420 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.519 -2.143 -9.277 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.298 -1.002 -10.399 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.336 -0.693 -8.647 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.425 -1.546 -8.137 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.146 -0.065 -7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.655 0.032 -8.428 1.00 0.00 H new ATOM 1082 N LYS A 70 9.870 1.237 -12.269 1.00 0.00 N ATOM 1083 CA LYS A 70 10.531 1.405 -13.560 1.00 0.00 C ATOM 1084 C LYS A 70 11.085 2.818 -13.717 1.00 0.00 C ATOM 1085 O LYS A 70 12.264 2.995 -14.009 1.00 0.00 O ATOM 1086 CB LYS A 70 9.563 1.102 -14.706 1.00 0.00 C ATOM 1087 CG LYS A 70 9.644 -0.323 -15.228 1.00 0.00 C ATOM 1088 CD LYS A 70 8.630 -0.554 -16.337 1.00 0.00 C ATOM 1089 CE LYS A 70 8.912 -1.829 -17.120 1.00 0.00 C ATOM 1090 NZ LYS A 70 8.935 -3.040 -16.257 1.00 0.00 N ATOM 0 H LYS A 70 8.871 1.042 -12.330 1.00 0.00 H new ATOM 0 HA LYS A 70 11.361 0.700 -13.597 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.545 1.296 -14.368 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.763 1.790 -15.527 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.649 -0.521 -15.602 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.463 -1.024 -14.413 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.630 -0.608 -15.907 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.639 0.297 -17.018 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.152 -1.952 -17.891 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.871 -1.733 -17.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.046 -3.887 -16.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.731 -2.977 -15.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.043 -3.104 -15.725 1.00 0.00 H new ATOM 1392 N SER B 8 4.848 -10.078 17.102 1.00 0.00 N ATOM 1393 CA SER B 8 3.576 -10.570 17.598 1.00 0.00 C ATOM 1394 C SER B 8 2.469 -10.096 16.659 1.00 0.00 C ATOM 1395 O SER B 8 2.592 -9.035 16.044 1.00 0.00 O ATOM 1396 CB SER B 8 3.343 -10.064 19.028 1.00 0.00 C ATOM 1397 OG SER B 8 2.169 -10.617 19.602 1.00 0.00 O ATOM 0 HA SER B 8 3.576 -11.660 17.626 1.00 0.00 H new ATOM 0 HB2 SER B 8 4.204 -10.318 19.647 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.265 -8.977 19.020 1.00 0.00 H new ATOM 0 HG SER B 8 2.056 -10.272 20.512 1.00 0.00 H new ATOM 1403 N ASN B 9 1.403 -10.878 16.529 1.00 0.00 N ATOM 1404 CA ASN B 9 0.308 -10.528 15.623 1.00 0.00 C ATOM 1405 C ASN B 9 -0.289 -9.174 15.991 1.00 0.00 C ATOM 1406 O ASN B 9 -0.611 -8.367 15.119 1.00 0.00 O ATOM 1407 CB ASN B 9 -0.790 -11.595 15.650 1.00 0.00 C ATOM 1408 CG ASN B 9 -1.869 -11.342 14.609 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -1.594 -10.836 13.520 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -3.104 -11.682 14.938 1.00 0.00 N ATOM 0 H ASN B 9 1.271 -11.754 17.035 1.00 0.00 H new ATOM 0 HA ASN B 9 0.721 -10.473 14.616 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -0.345 -12.575 15.477 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.244 -11.621 16.641 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -3.868 -11.527 14.280 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -3.293 -12.099 15.850 1.00 0.00 H new ATOM 1417 N THR B 10 -0.410 -8.920 17.291 1.00 0.00 N ATOM 1418 CA THR B 10 -0.958 -7.661 17.777 1.00 0.00 C ATOM 1419 C THR B 10 -0.098 -6.472 17.337 1.00 0.00 C ATOM 1420 O THR B 10 -0.593 -5.352 17.235 1.00 0.00 O ATOM 1421 CB THR B 10 -1.108 -7.663 19.318 1.00 0.00 C ATOM 1422 OG1 THR B 10 -1.761 -6.463 19.756 1.00 0.00 O ATOM 1423 CG2 THR B 10 0.245 -7.784 20.008 1.00 0.00 C ATOM 0 H THR B 10 -0.135 -9.571 18.026 1.00 0.00 H new ATOM 0 HA THR B 10 -1.949 -7.555 17.336 1.00 0.00 H new ATOM 0 HB THR B 10 -1.713 -8.529 19.589 1.00 0.00 H new ATOM 0 HG1 THR B 10 -1.851 -6.477 20.732 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.104 -7.782 21.089 1.00 0.00 H new ATOM 0 HG22 THR B 10 0.725 -8.715 19.706 1.00 0.00 H new ATOM 0 HG23 THR B 10 0.875 -6.942 19.723 1.00 0.00 H new ATOM 1431 N GLN B 11 1.180 -6.723 17.061 1.00 0.00 N ATOM 1432 CA GLN B 11 2.078 -5.675 16.591 1.00 0.00 C ATOM 1433 C GLN B 11 1.650 -5.214 15.207 1.00 0.00 C ATOM 1434 O GLN B 11 1.517 -4.021 14.955 1.00 0.00 O ATOM 1435 CB GLN B 11 3.523 -6.183 16.556 1.00 0.00 C ATOM 1436 CG GLN B 11 4.535 -5.158 16.063 1.00 0.00 C ATOM 1437 CD GLN B 11 4.635 -3.935 16.959 1.00 0.00 C ATOM 1438 OE1 GLN B 11 4.417 -4.116 18.255 1.00 0.00 O flip ATOM 1439 NE2 GLN B 11 4.921 -2.834 16.488 1.00 0.00 N flip ATOM 0 H GLN B 11 1.614 -7.641 17.155 1.00 0.00 H new ATOM 0 HA GLN B 11 2.026 -4.832 17.280 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.807 -6.504 17.558 1.00 0.00 H new ATOM 0 HB3 GLN B 11 3.571 -7.062 15.914 1.00 0.00 H new ATOM 0 HG2 GLN B 11 5.515 -5.630 15.993 1.00 0.00 H new ATOM 0 HG3 GLN B 11 4.261 -4.841 15.057 1.00 0.00 H new ATOM 0 HE21 GLN B 11 5.082 -2.734 15.486 1.00 0.00 H new ATOM 0 HE22 GLN B 11 4.997 -2.022 17.100 1.00 0.00 H new ATOM 1448 N VAL B 12 1.413 -6.174 14.323 1.00 0.00 N ATOM 1449 CA VAL B 12 0.994 -5.873 12.962 1.00 0.00 C ATOM 1450 C VAL B 12 -0.440 -5.353 12.956 1.00 0.00 C ATOM 1451 O VAL B 12 -0.741 -4.345 12.320 1.00 0.00 O ATOM 1452 CB VAL B 12 1.085 -7.120 12.053 1.00 0.00 C ATOM 1453 CG1 VAL B 12 0.845 -6.748 10.597 1.00 0.00 C ATOM 1454 CG2 VAL B 12 2.430 -7.816 12.219 1.00 0.00 C ATOM 0 H VAL B 12 1.504 -7.170 14.525 1.00 0.00 H new ATOM 0 HA VAL B 12 1.667 -5.110 12.573 1.00 0.00 H new ATOM 0 HB VAL B 12 0.304 -7.817 12.358 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.914 -7.642 9.977 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.147 -6.310 10.492 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.596 -6.026 10.277 1.00 0.00 H new ATOM 0 HG21 VAL B 12 2.470 -8.690 11.569 1.00 0.00 H new ATOM 0 HG22 VAL B 12 3.231 -7.128 11.951 1.00 0.00 H new ATOM 0 HG23 VAL B 12 2.552 -8.129 13.256 1.00 0.00 H new ATOM 1464 N GLU B 13 -1.306 -6.041 13.693 1.00 0.00 N ATOM 1465 CA GLU B 13 -2.721 -5.690 13.780 1.00 0.00 C ATOM 1466 C GLU B 13 -2.898 -4.241 14.231 1.00 0.00 C ATOM 1467 O GLU B 13 -3.543 -3.442 13.550 1.00 0.00 O ATOM 1468 CB GLU B 13 -3.430 -6.654 14.746 1.00 0.00 C ATOM 1469 CG GLU B 13 -4.936 -6.445 14.881 1.00 0.00 C ATOM 1470 CD GLU B 13 -5.307 -5.284 15.788 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -4.665 -5.121 16.849 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -6.248 -4.537 15.445 1.00 0.00 O ATOM 0 H GLU B 13 -1.048 -6.858 14.247 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.170 -5.783 12.791 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.249 -7.676 14.413 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -2.975 -6.555 15.732 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.361 -6.274 13.892 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.388 -7.358 15.269 1.00 0.00 H new ATOM 1479 N SER B 14 -2.306 -3.902 15.367 1.00 0.00 N ATOM 1480 CA SER B 14 -2.474 -2.577 15.935 1.00 0.00 C ATOM 1481 C SER B 14 -1.689 -1.534 15.144 1.00 0.00 C ATOM 1482 O SER B 14 -2.007 -0.348 15.187 1.00 0.00 O ATOM 1483 CB SER B 14 -2.063 -2.582 17.406 1.00 0.00 C ATOM 1484 OG SER B 14 -2.852 -3.513 18.139 1.00 0.00 O ATOM 0 H SER B 14 -1.708 -4.525 15.910 1.00 0.00 H new ATOM 0 HA SER B 14 -3.527 -2.304 15.872 1.00 0.00 H new ATOM 0 HB2 SER B 14 -1.008 -2.841 17.494 1.00 0.00 H new ATOM 0 HB3 SER B 14 -2.183 -1.584 17.827 1.00 0.00 H new ATOM 0 HG SER B 14 -3.452 -3.987 17.526 1.00 0.00 H new ATOM 1490 N LEU B 15 -0.676 -1.980 14.408 1.00 0.00 N ATOM 1491 CA LEU B 15 0.060 -1.087 13.523 1.00 0.00 C ATOM 1492 C LEU B 15 -0.832 -0.651 12.371 1.00 0.00 C ATOM 1493 O LEU B 15 -0.850 0.521 12.002 1.00 0.00 O ATOM 1494 CB LEU B 15 1.329 -1.760 12.993 1.00 0.00 C ATOM 1495 CG LEU B 15 2.142 -0.931 11.997 1.00 0.00 C ATOM 1496 CD1 LEU B 15 2.371 0.474 12.534 1.00 0.00 C ATOM 1497 CD2 LEU B 15 3.472 -1.607 11.717 1.00 0.00 C ATOM 0 H LEU B 15 -0.349 -2.946 14.407 1.00 0.00 H new ATOM 0 HA LEU B 15 0.362 -0.208 14.093 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.968 -2.010 13.840 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.050 -2.700 12.516 1.00 0.00 H new ATOM 0 HG LEU B 15 1.580 -0.859 11.066 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.951 1.049 11.812 1.00 0.00 H new ATOM 0 HD12 LEU B 15 1.410 0.962 12.699 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.916 0.419 13.476 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.042 -1.008 11.007 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.035 -1.702 12.646 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.296 -2.597 11.297 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.582 -1.599 11.820 1.00 0.00 N ATOM 1510 CA ILE B 16 -2.568 -1.296 10.792 1.00 0.00 C ATOM 1511 C ILE B 16 -3.519 -0.215 11.298 1.00 0.00 C ATOM 1512 O ILE B 16 -3.778 0.774 10.615 1.00 0.00 O ATOM 1513 CB ILE B 16 -3.381 -2.553 10.405 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -2.450 -3.638 9.857 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -4.460 -2.212 9.383 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -3.127 -4.977 9.661 1.00 0.00 C ATOM 0 H ILE B 16 -1.525 -2.586 12.070 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.038 -0.944 9.907 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.872 -2.931 11.302 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -2.040 -3.305 8.904 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -1.609 -3.762 10.540 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -5.017 -3.113 9.128 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -5.140 -1.472 9.805 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -3.995 -1.806 8.485 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -2.406 -5.695 9.271 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -3.513 -5.333 10.616 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -3.950 -4.869 8.955 1.00 0.00 H new ATOM 1528 N ALA B 17 -4.001 -0.402 12.521 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.898 0.554 13.151 1.00 0.00 C ATOM 1530 C ALA B 17 -4.211 1.901 13.369 1.00 0.00 C ATOM 1531 O ALA B 17 -4.830 2.948 13.199 1.00 0.00 O ATOM 1532 CB ALA B 17 -5.413 0.002 14.472 1.00 0.00 C ATOM 0 H ALA B 17 -3.782 -1.214 13.098 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.742 0.715 12.481 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -6.083 0.728 14.933 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.953 -0.928 14.292 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -4.572 -0.190 15.139 1.00 0.00 H new ATOM 1538 N GLU B 18 -2.924 1.870 13.711 1.00 0.00 N ATOM 1539 CA GLU B 18 -2.173 3.079 14.017 1.00 0.00 C ATOM 1540 C GLU B 18 -2.085 3.965 12.778 1.00 0.00 C ATOM 1541 O GLU B 18 -2.339 5.169 12.834 1.00 0.00 O ATOM 1542 CB GLU B 18 -0.770 2.702 14.501 1.00 0.00 C ATOM 1543 CG GLU B 18 0.041 3.866 15.044 1.00 0.00 C ATOM 1544 CD GLU B 18 -0.454 4.354 16.387 1.00 0.00 C ATOM 1545 OE1 GLU B 18 0.000 3.819 17.422 1.00 0.00 O ATOM 1546 OE2 GLU B 18 -1.291 5.278 16.417 1.00 0.00 O ATOM 0 H GLU B 18 -2.379 1.011 13.783 1.00 0.00 H new ATOM 0 HA GLU B 18 -2.684 3.632 14.805 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.859 1.943 15.278 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.223 2.249 13.674 1.00 0.00 H new ATOM 0 HG2 GLU B 18 1.084 3.564 15.135 1.00 0.00 H new ATOM 0 HG3 GLU B 18 0.009 4.689 14.330 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.750 3.346 11.652 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.625 4.062 10.391 1.00 0.00 C ATOM 1555 C ILE B 19 -2.995 4.556 9.922 1.00 0.00 C ATOM 1556 O ILE B 19 -3.112 5.626 9.321 1.00 0.00 O ATOM 1557 CB ILE B 19 -0.990 3.173 9.299 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.218 2.422 9.864 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.557 4.024 8.115 1.00 0.00 C ATOM 1560 CD1 ILE B 19 0.782 1.380 8.923 1.00 0.00 C ATOM 0 H ILE B 19 -1.560 2.346 11.588 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.970 4.917 10.560 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.734 2.450 8.965 1.00 0.00 H new ATOM 0 HG12 ILE B 19 1.000 3.141 10.107 1.00 0.00 H new ATOM 0 HG13 ILE B 19 -0.070 1.938 10.797 1.00 0.00 H new ATOM 0 HG21 ILE B 19 -0.111 3.386 7.352 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -1.424 4.536 7.698 1.00 0.00 H new ATOM 0 HG23 ILE B 19 0.175 4.761 8.445 1.00 0.00 H new ATOM 0 HD11 ILE B 19 1.635 0.890 9.392 1.00 0.00 H new ATOM 0 HD12 ILE B 19 0.015 0.638 8.700 1.00 0.00 H new ATOM 0 HD13 ILE B 19 1.103 1.860 7.998 1.00 0.00 H new ATOM 1572 N LEU B 20 -4.032 3.777 10.220 1.00 0.00 N ATOM 1573 CA LEU B 20 -5.403 4.175 9.911 1.00 0.00 C ATOM 1574 C LEU B 20 -5.796 5.411 10.713 1.00 0.00 C ATOM 1575 O LEU B 20 -6.476 6.299 10.202 1.00 0.00 O ATOM 1576 CB LEU B 20 -6.385 3.035 10.206 1.00 0.00 C ATOM 1577 CG LEU B 20 -6.248 1.798 9.318 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -7.220 0.718 9.760 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -6.480 2.157 7.857 1.00 0.00 C ATOM 0 H LEU B 20 -3.949 2.868 10.675 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.449 4.410 8.848 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -6.258 2.730 11.245 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -7.400 3.420 10.108 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.233 1.414 9.419 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -7.110 -0.156 9.118 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -7.009 0.439 10.792 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -8.240 1.095 9.688 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -6.378 1.263 7.242 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -7.483 2.567 7.738 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.745 2.899 7.544 1.00 0.00 H new ATOM 1591 N VAL B 21 -5.362 5.462 11.972 1.00 0.00 N ATOM 1592 CA VAL B 21 -5.619 6.620 12.823 1.00 0.00 C ATOM 1593 C VAL B 21 -5.014 7.878 12.204 1.00 0.00 C ATOM 1594 O VAL B 21 -5.627 8.942 12.228 1.00 0.00 O ATOM 1595 CB VAL B 21 -5.065 6.421 14.255 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -5.227 7.684 15.088 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -5.759 5.253 14.938 1.00 0.00 C ATOM 0 H VAL B 21 -4.832 4.716 12.423 1.00 0.00 H new ATOM 0 HA VAL B 21 -6.701 6.734 12.897 1.00 0.00 H new ATOM 0 HB VAL B 21 -4.001 6.201 14.172 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -4.829 7.514 16.088 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -4.684 8.503 14.616 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -6.284 7.941 15.157 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -5.357 5.128 15.943 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -6.829 5.450 14.997 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -5.589 4.342 14.364 1.00 0.00 H new ATOM 1607 N VAL B 22 -3.825 7.740 11.630 1.00 0.00 N ATOM 1608 CA VAL B 22 -3.162 8.850 10.947 1.00 0.00 C ATOM 1609 C VAL B 22 -4.064 9.421 9.860 1.00 0.00 C ATOM 1610 O VAL B 22 -4.374 10.615 9.852 1.00 0.00 O ATOM 1611 CB VAL B 22 -1.839 8.403 10.299 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -1.042 9.601 9.804 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -1.026 7.580 11.276 1.00 0.00 C ATOM 0 H VAL B 22 -3.296 6.868 11.623 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.952 9.610 11.699 1.00 0.00 H new ATOM 0 HB VAL B 22 -2.074 7.780 9.436 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.112 9.257 9.351 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.627 10.146 9.063 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -0.815 10.259 10.643 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -0.093 7.271 10.804 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -0.804 8.178 12.160 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.594 6.697 11.569 1.00 0.00 H new ATOM 1623 N LEU B 23 -4.479 8.553 8.944 1.00 0.00 N ATOM 1624 CA LEU B 23 -5.408 8.931 7.883 1.00 0.00 C ATOM 1625 C LEU B 23 -6.684 9.543 8.464 1.00 0.00 C ATOM 1626 O LEU B 23 -7.183 10.549 7.962 1.00 0.00 O ATOM 1627 CB LEU B 23 -5.757 7.709 7.028 1.00 0.00 C ATOM 1628 CG LEU B 23 -4.563 7.008 6.379 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -5.017 5.769 5.625 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.826 7.957 5.446 1.00 0.00 C ATOM 0 H LEU B 23 -4.185 7.577 8.914 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.922 9.680 7.258 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -6.287 6.988 7.651 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -6.447 8.019 6.243 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.877 6.700 7.168 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -4.154 5.283 5.170 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -5.499 5.078 6.317 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -5.724 6.056 4.847 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.980 7.439 4.994 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -4.504 8.297 4.663 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -3.466 8.816 6.012 1.00 0.00 H new ATOM 1642 N GLU B 24 -7.189 8.936 9.536 1.00 0.00 N ATOM 1643 CA GLU B 24 -8.404 9.399 10.207 1.00 0.00 C ATOM 1644 C GLU B 24 -8.217 10.823 10.735 1.00 0.00 C ATOM 1645 O GLU B 24 -9.064 11.690 10.524 1.00 0.00 O ATOM 1646 CB GLU B 24 -8.751 8.433 11.354 1.00 0.00 C ATOM 1647 CG GLU B 24 -10.172 8.556 11.901 1.00 0.00 C ATOM 1648 CD GLU B 24 -10.408 9.812 12.717 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -9.683 10.034 13.708 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -11.338 10.577 12.384 1.00 0.00 O ATOM 0 H GLU B 24 -6.769 8.111 9.964 1.00 0.00 H new ATOM 0 HA GLU B 24 -9.227 9.414 9.492 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -8.600 7.411 11.005 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -8.049 8.598 12.171 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -10.875 8.538 11.068 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -10.389 7.686 12.520 1.00 0.00 H new ATOM 1657 N LYS B 25 -7.088 11.065 11.392 1.00 0.00 N ATOM 1658 CA LYS B 25 -6.794 12.365 11.993 1.00 0.00 C ATOM 1659 C LYS B 25 -6.685 13.469 10.940 1.00 0.00 C ATOM 1660 O LYS B 25 -6.736 14.654 11.266 1.00 0.00 O ATOM 1661 CB LYS B 25 -5.501 12.290 12.813 1.00 0.00 C ATOM 1662 CG LYS B 25 -5.608 11.378 14.027 1.00 0.00 C ATOM 1663 CD LYS B 25 -4.270 11.202 14.732 1.00 0.00 C ATOM 1664 CE LYS B 25 -3.760 12.505 15.325 1.00 0.00 C ATOM 1665 NZ LYS B 25 -4.705 13.080 16.319 1.00 0.00 N ATOM 0 H LYS B 25 -6.353 10.371 11.524 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.626 12.617 12.651 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -4.693 11.937 12.172 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -5.230 13.293 13.144 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -6.334 11.791 14.727 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -5.984 10.403 13.716 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -4.373 10.460 15.524 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -3.536 10.814 14.025 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -2.795 12.332 15.802 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -3.595 13.226 14.524 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -4.225 13.824 16.865 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -5.524 13.488 15.824 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -5.028 12.331 16.964 1.00 0.00 H new ATOM 1679 N HIS B 26 -6.532 13.082 9.681 1.00 0.00 N ATOM 1680 CA HIS B 26 -6.489 14.050 8.591 1.00 0.00 C ATOM 1681 C HIS B 26 -7.762 13.974 7.753 1.00 0.00 C ATOM 1682 O HIS B 26 -7.949 14.769 6.831 1.00 0.00 O ATOM 1683 CB HIS B 26 -5.268 13.815 7.694 1.00 0.00 C ATOM 1684 CG HIS B 26 -3.957 14.115 8.355 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -3.369 15.364 8.336 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -3.113 13.318 9.048 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -2.228 15.320 8.995 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -2.051 14.091 9.435 1.00 0.00 N ATOM 0 H HIS B 26 -6.436 12.109 9.389 1.00 0.00 H new ATOM 0 HA HIS B 26 -6.412 15.043 9.034 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -5.267 12.776 7.364 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -5.362 14.433 6.801 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.251 12.267 9.257 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -1.554 16.150 9.148 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -1.250 13.767 9.978 1.00 0.00 H new ATOM 1697 N LYS B 27 -8.627 13.015 8.091 1.00 0.00 N ATOM 1698 CA LYS B 27 -9.860 12.758 7.342 1.00 0.00 C ATOM 1699 C LYS B 27 -9.535 12.474 5.872 1.00 0.00 C ATOM 1700 O LYS B 27 -10.290 12.832 4.966 1.00 0.00 O ATOM 1701 CB LYS B 27 -10.815 13.950 7.464 1.00 0.00 C ATOM 1702 CG LYS B 27 -12.245 13.634 7.051 1.00 0.00 C ATOM 1703 CD LYS B 27 -13.115 14.877 7.063 1.00 0.00 C ATOM 1704 CE LYS B 27 -12.653 15.892 6.028 1.00 0.00 C ATOM 1705 NZ LYS B 27 -13.434 17.155 6.103 1.00 0.00 N ATOM 0 H LYS B 27 -8.493 12.395 8.890 1.00 0.00 H new ATOM 0 HA LYS B 27 -10.351 11.881 7.763 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -10.814 14.301 8.496 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -10.441 14.768 6.849 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -12.248 13.196 6.053 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.664 12.889 7.727 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -14.150 14.599 6.865 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -13.090 15.330 8.054 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -11.596 16.109 6.180 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -12.751 15.463 5.031 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -13.089 17.820 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -14.440 16.952 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -13.321 17.578 7.046 1.00 0.00 H new ATOM 1719 N ALA B 28 -8.416 11.792 5.658 1.00 0.00 N ATOM 1720 CA ALA B 28 -7.899 11.546 4.319 1.00 0.00 C ATOM 1721 C ALA B 28 -8.870 10.720 3.478 1.00 0.00 C ATOM 1722 O ALA B 28 -9.271 9.619 3.867 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.545 10.856 4.400 1.00 0.00 C ATOM 0 H ALA B 28 -7.845 11.396 6.404 1.00 0.00 H new ATOM 0 HA ALA B 28 -7.781 12.511 3.826 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.167 10.677 3.393 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -5.845 11.491 4.942 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -6.652 9.905 4.922 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.277 11.259 2.317 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.127 10.544 1.363 1.00 0.00 C ATOM 1731 C PRO B 29 -9.462 9.262 0.872 1.00 0.00 C ATOM 1732 O PRO B 29 -8.238 9.130 0.938 1.00 0.00 O ATOM 1733 CB PRO B 29 -10.295 11.537 0.207 1.00 0.00 C ATOM 1734 CG PRO B 29 -9.990 12.868 0.798 1.00 0.00 C ATOM 1735 CD PRO B 29 -8.956 12.619 1.854 1.00 0.00 C ATOM 0 HA PRO B 29 -11.074 10.235 1.806 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -9.617 11.305 -0.615 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.307 11.506 -0.196 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.617 13.556 0.040 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.885 13.320 1.226 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -7.945 12.680 1.451 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.022 13.347 2.663 1.00 0.00 H new ATOM 1743 N THR B 30 -10.265 8.325 0.384 1.00 0.00 N ATOM 1744 CA THR B 30 -9.757 7.034 -0.064 1.00 0.00 C ATOM 1745 C THR B 30 -8.671 7.206 -1.124 1.00 0.00 C ATOM 1746 O THR B 30 -7.602 6.607 -1.033 1.00 0.00 O ATOM 1747 CB THR B 30 -10.890 6.169 -0.639 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.045 6.263 0.200 1.00 0.00 O ATOM 1749 CG2 THR B 30 -10.460 4.716 -0.742 1.00 0.00 C ATOM 0 H THR B 30 -11.274 8.435 0.288 1.00 0.00 H new ATOM 0 HA THR B 30 -9.329 6.536 0.806 1.00 0.00 H new ATOM 0 HB THR B 30 -11.128 6.536 -1.637 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.810 5.846 -0.248 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.278 4.123 -1.151 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.592 4.639 -1.397 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.201 4.342 0.249 1.00 0.00 H new ATOM 1757 N ASP B 31 -8.952 8.050 -2.106 1.00 0.00 N ATOM 1758 CA ASP B 31 -8.021 8.323 -3.197 1.00 0.00 C ATOM 1759 C ASP B 31 -6.700 8.881 -2.673 1.00 0.00 C ATOM 1760 O ASP B 31 -5.625 8.404 -3.043 1.00 0.00 O ATOM 1761 CB ASP B 31 -8.660 9.299 -4.189 1.00 0.00 C ATOM 1762 CG ASP B 31 -9.330 10.469 -3.497 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -10.491 10.314 -3.056 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -8.702 11.536 -3.376 1.00 0.00 O ATOM 0 H ASP B 31 -9.830 8.565 -2.171 1.00 0.00 H new ATOM 0 HA ASP B 31 -7.803 7.384 -3.706 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.896 9.673 -4.871 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -9.395 8.769 -4.794 1.00 0.00 H new ATOM 1769 N LEU B 32 -6.787 9.875 -1.798 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.606 10.480 -1.197 1.00 0.00 C ATOM 1771 C LEU B 32 -4.826 9.450 -0.380 1.00 0.00 C ATOM 1772 O LEU B 32 -3.598 9.380 -0.459 1.00 0.00 O ATOM 1773 CB LEU B 32 -6.011 11.661 -0.310 1.00 0.00 C ATOM 1774 CG LEU B 32 -4.857 12.384 0.389 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -3.912 13.000 -0.629 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -5.390 13.454 1.330 1.00 0.00 C ATOM 0 H LEU B 32 -7.670 10.281 -1.487 1.00 0.00 H new ATOM 0 HA LEU B 32 -4.961 10.843 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.553 12.383 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.705 11.302 0.450 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.302 11.651 0.974 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.100 13.509 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.502 12.216 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.456 13.718 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.556 13.958 1.818 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -5.971 14.181 0.762 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -6.026 12.991 2.085 1.00 0.00 H new ATOM 1788 N SER B 33 -5.550 8.649 0.390 1.00 0.00 N ATOM 1789 CA SER B 33 -4.937 7.626 1.226 1.00 0.00 C ATOM 1790 C SER B 33 -4.213 6.587 0.375 1.00 0.00 C ATOM 1791 O SER B 33 -3.058 6.258 0.638 1.00 0.00 O ATOM 1792 CB SER B 33 -6.002 6.950 2.089 1.00 0.00 C ATOM 1793 OG SER B 33 -6.716 7.904 2.860 1.00 0.00 O ATOM 0 H SER B 33 -6.567 8.689 0.453 1.00 0.00 H new ATOM 0 HA SER B 33 -4.203 8.106 1.873 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.695 6.400 1.452 1.00 0.00 H new ATOM 0 HB3 SER B 33 -5.531 6.223 2.750 1.00 0.00 H new ATOM 0 HG SER B 33 -7.365 8.366 2.289 1.00 0.00 H new ATOM 1799 N LEU B 34 -4.888 6.093 -0.658 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.312 5.085 -1.541 1.00 0.00 C ATOM 1801 C LEU B 34 -3.068 5.618 -2.242 1.00 0.00 C ATOM 1802 O LEU B 34 -2.068 4.911 -2.364 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.344 4.625 -2.575 1.00 0.00 C ATOM 1804 CG LEU B 34 -6.563 3.902 -1.998 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -7.566 3.592 -3.097 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.139 2.625 -1.285 1.00 0.00 C ATOM 0 H LEU B 34 -5.837 6.375 -0.905 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.021 4.231 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.688 5.495 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.852 3.963 -3.287 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.041 4.558 -1.271 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.427 3.078 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.893 4.521 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.098 2.954 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.019 2.124 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.637 1.963 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.457 2.872 -0.472 1.00 0.00 H new ATOM 1818 N MET B 35 -3.128 6.868 -2.688 1.00 0.00 N ATOM 1819 CA MET B 35 -1.988 7.500 -3.341 1.00 0.00 C ATOM 1820 C MET B 35 -0.818 7.610 -2.368 1.00 0.00 C ATOM 1821 O MET B 35 0.326 7.314 -2.716 1.00 0.00 O ATOM 1822 CB MET B 35 -2.367 8.889 -3.862 1.00 0.00 C ATOM 1823 CG MET B 35 -1.254 9.570 -4.644 1.00 0.00 C ATOM 1824 SD MET B 35 -1.701 11.227 -5.207 1.00 0.00 S ATOM 1825 CE MET B 35 -3.147 10.874 -6.205 1.00 0.00 C ATOM 0 H MET B 35 -3.953 7.463 -2.609 1.00 0.00 H new ATOM 0 HA MET B 35 -1.690 6.881 -4.187 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.247 8.801 -4.500 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.646 9.521 -3.019 1.00 0.00 H new ATOM 0 HG2 MET B 35 -0.363 9.632 -4.019 1.00 0.00 H new ATOM 0 HG3 MET B 35 -0.995 8.956 -5.507 1.00 0.00 H new ATOM 0 HE1 MET B 35 -3.347 11.717 -6.867 1.00 0.00 H new ATOM 0 HE2 MET B 35 -2.968 9.979 -6.801 1.00 0.00 H new ATOM 0 HE3 MET B 35 -4.007 10.711 -5.555 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.119 8.024 -1.143 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.105 8.151 -0.107 1.00 0.00 C ATOM 1837 C ALA B 36 0.511 6.795 0.221 1.00 0.00 C ATOM 1838 O ALA B 36 1.732 6.669 0.326 1.00 0.00 O ATOM 1839 CB ALA B 36 -0.704 8.778 1.143 1.00 0.00 C ATOM 0 H ALA B 36 -2.060 8.278 -0.844 1.00 0.00 H new ATOM 0 HA ALA B 36 0.686 8.801 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA B 36 0.065 8.867 1.910 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.093 9.767 0.903 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.514 8.149 1.513 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.338 5.784 0.365 1.00 0.00 N ATOM 1846 CA LEU B 37 0.122 4.442 0.698 1.00 0.00 C ATOM 1847 C LEU B 37 0.939 3.842 -0.440 1.00 0.00 C ATOM 1848 O LEU B 37 1.961 3.204 -0.203 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.059 3.528 1.035 1.00 0.00 C ATOM 1850 CG LEU B 37 -1.910 3.971 2.229 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -2.961 2.922 2.545 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -1.041 4.237 3.449 1.00 0.00 C ATOM 0 H LEU B 37 -1.349 5.869 0.256 1.00 0.00 H new ATOM 0 HA LEU B 37 0.763 4.523 1.576 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -1.703 3.455 0.158 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -0.677 2.527 1.234 1.00 0.00 H new ATOM 0 HG LEU B 37 -2.412 4.901 1.963 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -3.558 3.250 3.396 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.608 2.783 1.679 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -2.472 1.979 2.787 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -1.670 4.550 4.282 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.506 3.327 3.720 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.324 5.025 3.220 1.00 0.00 H new ATOM 1864 N GLY B 38 0.490 4.059 -1.670 1.00 0.00 N ATOM 1865 CA GLY B 38 1.213 3.559 -2.825 1.00 0.00 C ATOM 1866 C GLY B 38 2.623 4.105 -2.892 1.00 0.00 C ATOM 1867 O GLY B 38 3.585 3.356 -3.083 1.00 0.00 O ATOM 0 H GLY B 38 -0.363 4.573 -1.889 1.00 0.00 H new ATOM 0 HA2 GLY B 38 1.247 2.470 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.676 3.830 -3.734 1.00 0.00 H new ATOM 1871 N ASN B 39 2.746 5.412 -2.717 1.00 0.00 N ATOM 1872 CA ASN B 39 4.048 6.058 -2.702 1.00 0.00 C ATOM 1873 C ASN B 39 4.851 5.613 -1.486 1.00 0.00 C ATOM 1874 O ASN B 39 6.074 5.507 -1.546 1.00 0.00 O ATOM 1875 CB ASN B 39 3.899 7.582 -2.709 1.00 0.00 C ATOM 1876 CG ASN B 39 3.378 8.108 -4.033 1.00 0.00 C ATOM 1877 OD1 ASN B 39 3.666 7.551 -5.091 1.00 0.00 O ATOM 1878 ND2 ASN B 39 2.600 9.178 -3.987 1.00 0.00 N ATOM 0 H ASN B 39 1.958 6.046 -2.583 1.00 0.00 H new ATOM 0 HA ASN B 39 4.584 5.760 -3.603 1.00 0.00 H new ATOM 0 HB2 ASN B 39 3.220 7.881 -1.910 1.00 0.00 H new ATOM 0 HB3 ASN B 39 4.865 8.039 -2.495 1.00 0.00 H new ATOM 0 HD21 ASN B 39 2.217 9.568 -4.848 1.00 0.00 H new ATOM 0 HD22 ASN B 39 2.383 9.613 -3.090 1.00 0.00 H new ATOM 1885 N CYS B 40 4.154 5.341 -0.388 1.00 0.00 N ATOM 1886 CA CYS B 40 4.791 4.847 0.825 1.00 0.00 C ATOM 1887 C CYS B 40 5.431 3.482 0.576 1.00 0.00 C ATOM 1888 O CYS B 40 6.622 3.298 0.819 1.00 0.00 O ATOM 1889 CB CYS B 40 3.769 4.758 1.965 1.00 0.00 C ATOM 1890 SG CYS B 40 4.450 4.181 3.536 1.00 0.00 S ATOM 0 H CYS B 40 3.143 5.455 -0.314 1.00 0.00 H new ATOM 0 HA CYS B 40 5.575 5.547 1.114 1.00 0.00 H new ATOM 0 HB2 CYS B 40 3.324 5.742 2.115 1.00 0.00 H new ATOM 0 HB3 CYS B 40 2.964 4.087 1.664 1.00 0.00 H new ATOM 0 HG CYS B 40 3.507 4.144 4.430 1.00 0.00 H new ATOM 1896 N VAL B 41 4.637 2.542 0.063 1.00 0.00 N ATOM 1897 CA VAL B 41 5.118 1.191 -0.222 1.00 0.00 C ATOM 1898 C VAL B 41 6.301 1.228 -1.188 1.00 0.00 C ATOM 1899 O VAL B 41 7.311 0.554 -0.977 1.00 0.00 O ATOM 1900 CB VAL B 41 3.994 0.308 -0.817 1.00 0.00 C ATOM 1901 CG1 VAL B 41 4.502 -1.095 -1.118 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.806 0.244 0.129 1.00 0.00 C ATOM 0 H VAL B 41 3.654 2.693 -0.164 1.00 0.00 H new ATOM 0 HA VAL B 41 5.441 0.756 0.724 1.00 0.00 H new ATOM 0 HB VAL B 41 3.672 0.764 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL B 41 3.692 -1.694 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL B 41 5.319 -1.040 -1.837 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.859 -1.558 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL B 41 2.027 -0.381 -0.307 1.00 0.00 H new ATOM 0 HG22 VAL B 41 3.122 -0.182 1.081 1.00 0.00 H new ATOM 0 HG23 VAL B 41 2.416 1.249 0.292 1.00 0.00 H new ATOM 1912 N THR B 42 6.178 2.043 -2.231 1.00 0.00 N ATOM 1913 CA THR B 42 7.238 2.191 -3.219 1.00 0.00 C ATOM 1914 C THR B 42 8.512 2.732 -2.564 1.00 0.00 C ATOM 1915 O THR B 42 9.622 2.277 -2.849 1.00 0.00 O ATOM 1916 CB THR B 42 6.804 3.140 -4.358 1.00 0.00 C ATOM 1917 OG1 THR B 42 5.531 2.730 -4.884 1.00 0.00 O ATOM 1918 CG2 THR B 42 7.833 3.151 -5.481 1.00 0.00 C ATOM 0 H THR B 42 5.351 2.612 -2.413 1.00 0.00 H new ATOM 0 HA THR B 42 7.439 1.205 -3.639 1.00 0.00 H new ATOM 0 HB THR B 42 6.724 4.146 -3.946 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.815 3.062 -4.304 1.00 0.00 H new ATOM 0 HG21 THR B 42 7.503 3.827 -6.270 1.00 0.00 H new ATOM 0 HG22 THR B 42 8.793 3.489 -5.091 1.00 0.00 H new ATOM 0 HG23 THR B 42 7.940 2.145 -5.886 1.00 0.00 H new ATOM 1926 N HIS B 43 8.330 3.684 -1.660 1.00 0.00 N ATOM 1927 CA HIS B 43 9.440 4.348 -0.987 1.00 0.00 C ATOM 1928 C HIS B 43 10.074 3.434 0.059 1.00 0.00 C ATOM 1929 O HIS B 43 11.260 3.560 0.369 1.00 0.00 O ATOM 1930 CB HIS B 43 8.932 5.641 -0.347 1.00 0.00 C ATOM 1931 CG HIS B 43 9.996 6.525 0.216 1.00 0.00 C ATOM 1932 ND1 HIS B 43 11.068 6.981 -0.514 1.00 0.00 N ATOM 1933 CD2 HIS B 43 10.119 7.074 1.444 1.00 0.00 C ATOM 1934 CE1 HIS B 43 11.801 7.776 0.242 1.00 0.00 C ATOM 1935 NE2 HIS B 43 11.247 7.854 1.438 1.00 0.00 N ATOM 0 H HIS B 43 7.410 4.018 -1.372 1.00 0.00 H new ATOM 0 HA HIS B 43 10.213 4.586 -1.718 1.00 0.00 H new ATOM 0 HB2 HIS B 43 8.371 6.203 -1.094 1.00 0.00 H new ATOM 0 HB3 HIS B 43 8.234 5.385 0.450 1.00 0.00 H new ATOM 0 HD1 HIS B 43 11.265 6.743 -1.486 1.00 0.00 H new ATOM 0 HD2 HIS B 43 9.450 6.926 2.279 1.00 0.00 H new ATOM 0 HE1 HIS B 43 12.705 8.280 -0.067 1.00 0.00 H new ATOM 1944 N LEU B 44 9.285 2.517 0.602 1.00 0.00 N ATOM 1945 CA LEU B 44 9.803 1.520 1.531 1.00 0.00 C ATOM 1946 C LEU B 44 10.738 0.568 0.801 1.00 0.00 C ATOM 1947 O LEU B 44 11.756 0.136 1.345 1.00 0.00 O ATOM 1948 CB LEU B 44 8.659 0.739 2.184 1.00 0.00 C ATOM 1949 CG LEU B 44 7.753 1.558 3.105 1.00 0.00 C ATOM 1950 CD1 LEU B 44 6.592 0.711 3.601 1.00 0.00 C ATOM 1951 CD2 LEU B 44 8.544 2.108 4.283 1.00 0.00 C ATOM 0 H LEU B 44 8.285 2.442 0.416 1.00 0.00 H new ATOM 0 HA LEU B 44 10.357 2.034 2.316 1.00 0.00 H new ATOM 0 HB2 LEU B 44 8.047 0.297 1.398 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.084 -0.085 2.758 1.00 0.00 H new ATOM 0 HG LEU B 44 7.354 2.396 2.534 1.00 0.00 H new ATOM 0 HD11 LEU B 44 5.958 1.310 4.255 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.008 0.361 2.750 1.00 0.00 H new ATOM 0 HD13 LEU B 44 6.977 -0.146 4.154 1.00 0.00 H new ATOM 0 HD21 LEU B 44 7.882 2.688 4.927 1.00 0.00 H new ATOM 0 HD22 LEU B 44 8.971 1.282 4.852 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.346 2.749 3.916 1.00 0.00 H new ATOM 1963 N LEU B 45 10.393 0.263 -0.445 1.00 0.00 N ATOM 1964 CA LEU B 45 11.221 -0.590 -1.289 1.00 0.00 C ATOM 1965 C LEU B 45 12.585 0.050 -1.529 1.00 0.00 C ATOM 1966 O LEU B 45 13.598 -0.638 -1.596 1.00 0.00 O ATOM 1967 CB LEU B 45 10.530 -0.853 -2.631 1.00 0.00 C ATOM 1968 CG LEU B 45 9.205 -1.614 -2.548 1.00 0.00 C ATOM 1969 CD1 LEU B 45 8.566 -1.719 -3.924 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.424 -2.999 -1.961 1.00 0.00 C ATOM 0 H LEU B 45 9.540 0.596 -0.895 1.00 0.00 H new ATOM 0 HA LEU B 45 11.363 -1.539 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU B 45 10.350 0.104 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU B 45 11.213 -1.415 -3.268 1.00 0.00 H new ATOM 0 HG LEU B 45 8.531 -1.062 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU B 45 7.625 -2.263 -3.847 1.00 0.00 H new ATOM 0 HD12 LEU B 45 8.377 -0.719 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU B 45 9.238 -2.250 -4.598 1.00 0.00 H new ATOM 0 HD21 LEU B 45 8.472 -3.527 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU B 45 10.114 -3.557 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU B 45 9.843 -2.907 -0.959 1.00 0.00 H new ATOM 1982 N GLU B 46 12.602 1.374 -1.631 1.00 0.00 N ATOM 1983 CA GLU B 46 13.834 2.114 -1.894 1.00 0.00 C ATOM 1984 C GLU B 46 14.809 2.024 -0.727 1.00 0.00 C ATOM 1985 O GLU B 46 16.012 2.217 -0.899 1.00 0.00 O ATOM 1986 CB GLU B 46 13.533 3.589 -2.151 1.00 0.00 C ATOM 1987 CG GLU B 46 12.598 3.852 -3.314 1.00 0.00 C ATOM 1988 CD GLU B 46 12.463 5.334 -3.595 1.00 0.00 C ATOM 1989 OE1 GLU B 46 11.633 5.998 -2.938 1.00 0.00 O ATOM 1990 OE2 GLU B 46 13.214 5.846 -4.455 1.00 0.00 O ATOM 0 H GLU B 46 11.773 1.961 -1.535 1.00 0.00 H new ATOM 0 HA GLU B 46 14.288 1.660 -2.775 1.00 0.00 H new ATOM 0 HB2 GLU B 46 13.098 4.019 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU B 46 14.472 4.111 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU B 46 12.971 3.345 -4.204 1.00 0.00 H new ATOM 0 HG3 GLU B 46 11.617 3.431 -3.095 1.00 0.00 H new ATOM 1997 N ARG B 47 14.293 1.731 0.455 1.00 0.00 N ATOM 1998 CA ARG B 47 15.089 1.816 1.667 1.00 0.00 C ATOM 1999 C ARG B 47 15.879 0.546 1.924 1.00 0.00 C ATOM 2000 O ARG B 47 16.993 0.600 2.441 1.00 0.00 O ATOM 2001 CB ARG B 47 14.198 2.142 2.866 1.00 0.00 C ATOM 2002 CG ARG B 47 13.696 3.580 2.882 1.00 0.00 C ATOM 2003 CD ARG B 47 14.738 4.541 3.443 1.00 0.00 C ATOM 2004 NE ARG B 47 16.013 4.482 2.723 1.00 0.00 N ATOM 2005 CZ ARG B 47 17.207 4.594 3.309 1.00 0.00 C ATOM 2006 NH1 ARG B 47 17.293 4.851 4.610 1.00 0.00 N ATOM 2007 NH2 ARG B 47 18.314 4.469 2.587 1.00 0.00 N ATOM 0 H ARG B 47 13.328 1.433 0.601 1.00 0.00 H new ATOM 0 HA ARG B 47 15.810 2.622 1.526 1.00 0.00 H new ATOM 0 HB2 ARG B 47 13.342 1.467 2.865 1.00 0.00 H new ATOM 0 HB3 ARG B 47 14.754 1.950 3.784 1.00 0.00 H new ATOM 0 HG2 ARG B 47 13.431 3.883 1.869 1.00 0.00 H new ATOM 0 HG3 ARG B 47 12.787 3.640 3.481 1.00 0.00 H new ATOM 0 HD2 ARG B 47 14.348 5.558 3.399 1.00 0.00 H new ATOM 0 HD3 ARG B 47 14.909 4.310 4.494 1.00 0.00 H new ATOM 0 HE ARG B 47 15.986 4.347 1.712 1.00 0.00 H new ATOM 0 HH11 ARG B 47 16.445 4.963 5.165 1.00 0.00 H new ATOM 0 HH12 ARG B 47 18.207 4.936 5.054 1.00 0.00 H new ATOM 0 HH21 ARG B 47 18.252 4.288 1.585 1.00 0.00 H new ATOM 0 HH22 ARG B 47 19.227 4.554 3.034 1.00 0.00 H new ATOM 2021 N LYS B 48 15.317 -0.596 1.567 1.00 0.00 N ATOM 2022 CA LYS B 48 15.986 -1.854 1.852 1.00 0.00 C ATOM 2023 C LYS B 48 16.061 -2.764 0.631 1.00 0.00 C ATOM 2024 O LYS B 48 17.009 -3.536 0.476 1.00 0.00 O ATOM 2025 CB LYS B 48 15.278 -2.581 2.999 1.00 0.00 C ATOM 2026 CG LYS B 48 15.916 -3.912 3.363 1.00 0.00 C ATOM 2027 CD LYS B 48 17.298 -3.729 3.967 1.00 0.00 C ATOM 2028 CE LYS B 48 18.080 -5.034 3.984 1.00 0.00 C ATOM 2029 NZ LYS B 48 17.313 -6.144 4.610 1.00 0.00 N ATOM 0 H LYS B 48 14.419 -0.679 1.090 1.00 0.00 H new ATOM 0 HA LYS B 48 17.009 -1.613 2.142 1.00 0.00 H new ATOM 0 HB2 LYS B 48 15.274 -1.937 3.878 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.237 -2.750 2.723 1.00 0.00 H new ATOM 0 HG2 LYS B 48 15.277 -4.440 4.071 1.00 0.00 H new ATOM 0 HG3 LYS B 48 15.988 -4.536 2.472 1.00 0.00 H new ATOM 0 HD2 LYS B 48 17.849 -2.982 3.396 1.00 0.00 H new ATOM 0 HD3 LYS B 48 17.204 -3.348 4.984 1.00 0.00 H new ATOM 0 HE2 LYS B 48 18.345 -5.309 2.963 1.00 0.00 H new ATOM 0 HE3 LYS B 48 19.013 -4.889 4.528 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 17.944 -6.956 4.769 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 16.922 -5.826 5.520 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 16.536 -6.428 3.980 1.00 0.00 H new ATOM 2043 N VAL B 49 15.076 -2.659 -0.241 1.00 0.00 N ATOM 2044 CA VAL B 49 14.914 -3.635 -1.308 1.00 0.00 C ATOM 2045 C VAL B 49 15.670 -3.219 -2.567 1.00 0.00 C ATOM 2046 O VAL B 49 15.454 -2.130 -3.102 1.00 0.00 O ATOM 2047 CB VAL B 49 13.422 -3.849 -1.643 1.00 0.00 C ATOM 2048 CG1 VAL B 49 13.248 -4.952 -2.676 1.00 0.00 C ATOM 2049 CG2 VAL B 49 12.633 -4.169 -0.381 1.00 0.00 C ATOM 0 H VAL B 49 14.379 -1.914 -0.234 1.00 0.00 H new ATOM 0 HA VAL B 49 15.334 -4.574 -0.948 1.00 0.00 H new ATOM 0 HB VAL B 49 13.034 -2.924 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL B 49 12.188 -5.082 -2.894 1.00 0.00 H new ATOM 0 HG12 VAL B 49 13.776 -4.681 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL B 49 13.655 -5.884 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL B 49 11.584 -4.317 -0.636 1.00 0.00 H new ATOM 0 HG22 VAL B 49 13.027 -5.078 0.074 1.00 0.00 H new ATOM 0 HG23 VAL B 49 12.722 -3.342 0.323 1.00 0.00 H new ATOM 2059 N PRO B 50 16.574 -4.088 -3.050 1.00 0.00 N ATOM 2060 CA PRO B 50 17.312 -3.853 -4.293 1.00 0.00 C ATOM 2061 C PRO B 50 16.367 -3.678 -5.476 1.00 0.00 C ATOM 2062 O PRO B 50 15.293 -4.281 -5.510 1.00 0.00 O ATOM 2063 CB PRO B 50 18.155 -5.122 -4.464 1.00 0.00 C ATOM 2064 CG PRO B 50 18.240 -5.714 -3.100 1.00 0.00 C ATOM 2065 CD PRO B 50 16.949 -5.364 -2.420 1.00 0.00 C ATOM 0 HA PRO B 50 17.910 -2.943 -4.252 1.00 0.00 H new ATOM 0 HB2 PRO B 50 17.689 -5.814 -5.166 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.145 -4.889 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO B 50 18.375 -6.794 -3.151 1.00 0.00 H new ATOM 0 HG3 PRO B 50 19.092 -5.312 -2.552 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.190 -6.130 -2.578 1.00 0.00 H new ATOM 0 HD3 PRO B 50 17.077 -5.259 -1.343 1.00 0.00 H new ATOM 2073 N SER B 51 16.777 -2.870 -6.443 1.00 0.00 N ATOM 2074 CA SER B 51 15.935 -2.533 -7.583 1.00 0.00 C ATOM 2075 C SER B 51 15.478 -3.785 -8.324 1.00 0.00 C ATOM 2076 O SER B 51 14.333 -3.873 -8.771 1.00 0.00 O ATOM 2077 CB SER B 51 16.704 -1.612 -8.524 1.00 0.00 C ATOM 2078 OG SER B 51 17.256 -0.516 -7.815 1.00 0.00 O ATOM 0 H SER B 51 17.698 -2.431 -6.460 1.00 0.00 H new ATOM 0 HA SER B 51 15.044 -2.022 -7.218 1.00 0.00 H new ATOM 0 HB2 SER B 51 17.500 -2.170 -9.017 1.00 0.00 H new ATOM 0 HB3 SER B 51 16.039 -1.247 -9.307 1.00 0.00 H new ATOM 0 HG SER B 51 17.747 0.062 -8.436 1.00 0.00 H new ATOM 2084 N GLU B 52 16.375 -4.758 -8.430 1.00 0.00 N ATOM 2085 CA GLU B 52 16.073 -6.024 -9.079 1.00 0.00 C ATOM 2086 C GLU B 52 14.943 -6.753 -8.352 1.00 0.00 C ATOM 2087 O GLU B 52 14.026 -7.287 -8.979 1.00 0.00 O ATOM 2088 CB GLU B 52 17.327 -6.900 -9.110 1.00 0.00 C ATOM 2089 CG GLU B 52 17.098 -8.283 -9.693 1.00 0.00 C ATOM 2090 CD GLU B 52 18.333 -9.149 -9.618 1.00 0.00 C ATOM 2091 OE1 GLU B 52 18.621 -9.684 -8.526 1.00 0.00 O ATOM 2092 OE2 GLU B 52 19.021 -9.300 -10.650 1.00 0.00 O ATOM 0 H GLU B 52 17.327 -4.691 -8.070 1.00 0.00 H new ATOM 0 HA GLU B 52 15.747 -5.821 -10.099 1.00 0.00 H new ATOM 0 HB2 GLU B 52 18.097 -6.394 -9.692 1.00 0.00 H new ATOM 0 HB3 GLU B 52 17.711 -7.003 -8.095 1.00 0.00 H new ATOM 0 HG2 GLU B 52 16.283 -8.770 -9.158 1.00 0.00 H new ATOM 0 HG3 GLU B 52 16.786 -8.189 -10.733 1.00 0.00 H new ATOM 2099 N SER B 53 15.008 -6.750 -7.030 1.00 0.00 N ATOM 2100 CA SER B 53 14.048 -7.474 -6.215 1.00 0.00 C ATOM 2101 C SER B 53 12.715 -6.728 -6.132 1.00 0.00 C ATOM 2102 O SER B 53 11.657 -7.353 -6.035 1.00 0.00 O ATOM 2103 CB SER B 53 14.630 -7.695 -4.820 1.00 0.00 C ATOM 2104 OG SER B 53 15.933 -8.254 -4.904 1.00 0.00 O ATOM 0 H SER B 53 15.720 -6.251 -6.497 1.00 0.00 H new ATOM 0 HA SER B 53 13.852 -8.440 -6.681 1.00 0.00 H new ATOM 0 HB2 SER B 53 14.669 -6.748 -4.282 1.00 0.00 H new ATOM 0 HB3 SER B 53 13.980 -8.359 -4.250 1.00 0.00 H new ATOM 0 HG SER B 53 16.291 -8.387 -4.001 1.00 0.00 H new ATOM 2110 N ARG B 54 12.771 -5.393 -6.191 1.00 0.00 N ATOM 2111 CA ARG B 54 11.568 -4.554 -6.115 1.00 0.00 C ATOM 2112 C ARG B 54 10.516 -5.005 -7.121 1.00 0.00 C ATOM 2113 O ARG B 54 9.322 -4.984 -6.830 1.00 0.00 O ATOM 2114 CB ARG B 54 11.905 -3.085 -6.390 1.00 0.00 C ATOM 2115 CG ARG B 54 12.866 -2.456 -5.399 1.00 0.00 C ATOM 2116 CD ARG B 54 13.174 -1.022 -5.788 1.00 0.00 C ATOM 2117 NE ARG B 54 14.257 -0.443 -5.001 1.00 0.00 N ATOM 2118 CZ ARG B 54 14.717 0.793 -5.185 1.00 0.00 C ATOM 2119 NH1 ARG B 54 14.172 1.577 -6.109 1.00 0.00 N ATOM 2120 NH2 ARG B 54 15.723 1.250 -4.457 1.00 0.00 N ATOM 0 H ARG B 54 13.640 -4.868 -6.292 1.00 0.00 H new ATOM 0 HA ARG B 54 11.173 -4.658 -5.105 1.00 0.00 H new ATOM 0 HB2 ARG B 54 12.333 -3.006 -7.389 1.00 0.00 H new ATOM 0 HB3 ARG B 54 10.980 -2.509 -6.393 1.00 0.00 H new ATOM 0 HG2 ARG B 54 12.434 -2.482 -4.399 1.00 0.00 H new ATOM 0 HG3 ARG B 54 13.789 -3.035 -5.362 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.439 -0.986 -6.845 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.277 -0.416 -5.664 1.00 0.00 H new ATOM 0 HE ARG B 54 14.684 -1.014 -4.272 1.00 0.00 H new ATOM 0 HH11 ARG B 54 13.400 1.232 -6.679 1.00 0.00 H new ATOM 0 HH12 ARG B 54 14.526 2.523 -6.248 1.00 0.00 H new ATOM 0 HH21 ARG B 54 16.152 0.654 -3.749 1.00 0.00 H new ATOM 0 HH22 ARG B 54 16.070 2.198 -4.604 1.00 0.00 H new ATOM 2134 N GLN B 55 10.977 -5.417 -8.298 1.00 0.00 N ATOM 2135 CA GLN B 55 10.090 -5.835 -9.376 1.00 0.00 C ATOM 2136 C GLN B 55 9.179 -6.978 -8.930 1.00 0.00 C ATOM 2137 O GLN B 55 7.954 -6.894 -9.052 1.00 0.00 O ATOM 2138 CB GLN B 55 10.912 -6.264 -10.595 1.00 0.00 C ATOM 2139 CG GLN B 55 11.842 -5.177 -11.110 1.00 0.00 C ATOM 2140 CD GLN B 55 12.646 -5.614 -12.319 1.00 0.00 C ATOM 2141 OE1 GLN B 55 12.219 -5.444 -13.459 1.00 0.00 O ATOM 2142 NE2 GLN B 55 13.816 -6.187 -12.080 1.00 0.00 N ATOM 0 H GLN B 55 11.969 -5.470 -8.530 1.00 0.00 H new ATOM 0 HA GLN B 55 9.461 -4.986 -9.646 1.00 0.00 H new ATOM 0 HB2 GLN B 55 11.502 -7.143 -10.335 1.00 0.00 H new ATOM 0 HB3 GLN B 55 10.234 -6.560 -11.395 1.00 0.00 H new ATOM 0 HG2 GLN B 55 11.255 -4.296 -11.369 1.00 0.00 H new ATOM 0 HG3 GLN B 55 12.525 -4.882 -10.313 1.00 0.00 H new ATOM 0 HE21 GLN B 55 14.137 -6.311 -11.120 1.00 0.00 H new ATOM 0 HE22 GLN B 55 14.396 -6.504 -12.856 1.00 0.00 H new ATOM 2151 N ALA B 56 9.775 -8.033 -8.388 1.00 0.00 N ATOM 2152 CA ALA B 56 9.012 -9.202 -7.977 1.00 0.00 C ATOM 2153 C ALA B 56 8.266 -8.943 -6.676 1.00 0.00 C ATOM 2154 O ALA B 56 7.193 -9.502 -6.449 1.00 0.00 O ATOM 2155 CB ALA B 56 9.912 -10.416 -7.840 1.00 0.00 C ATOM 0 H ALA B 56 10.779 -8.102 -8.224 1.00 0.00 H new ATOM 0 HA ALA B 56 8.276 -9.406 -8.755 1.00 0.00 H new ATOM 0 HB1 ALA B 56 9.318 -11.276 -7.532 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.387 -10.627 -8.798 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.679 -10.218 -7.091 1.00 0.00 H new ATOM 2161 N VAL B 57 8.833 -8.104 -5.816 1.00 0.00 N ATOM 2162 CA VAL B 57 8.172 -7.745 -4.566 1.00 0.00 C ATOM 2163 C VAL B 57 6.880 -6.989 -4.852 1.00 0.00 C ATOM 2164 O VAL B 57 5.836 -7.299 -4.284 1.00 0.00 O ATOM 2165 CB VAL B 57 9.076 -6.892 -3.647 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.322 -6.455 -2.399 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.325 -7.666 -3.259 1.00 0.00 C ATOM 0 H VAL B 57 9.741 -7.663 -5.959 1.00 0.00 H new ATOM 0 HA VAL B 57 7.951 -8.676 -4.044 1.00 0.00 H new ATOM 0 HB VAL B 57 9.373 -6.001 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL B 57 8.979 -5.856 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.455 -5.861 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL B 57 7.992 -7.335 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL B 57 10.949 -7.049 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.040 -8.575 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.883 -7.930 -4.157 1.00 0.00 H new ATOM 2177 N ALA B 58 6.954 -6.014 -5.751 1.00 0.00 N ATOM 2178 CA ALA B 58 5.785 -5.236 -6.139 1.00 0.00 C ATOM 2179 C ALA B 58 4.721 -6.132 -6.759 1.00 0.00 C ATOM 2180 O ALA B 58 3.528 -5.966 -6.503 1.00 0.00 O ATOM 2181 CB ALA B 58 6.177 -4.129 -7.106 1.00 0.00 C ATOM 0 H ALA B 58 7.815 -5.743 -6.226 1.00 0.00 H new ATOM 0 HA ALA B 58 5.367 -4.780 -5.242 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.291 -3.559 -7.385 1.00 0.00 H new ATOM 0 HB2 ALA B 58 6.899 -3.467 -6.628 1.00 0.00 H new ATOM 0 HB3 ALA B 58 6.622 -4.567 -7.999 1.00 0.00 H new ATOM 2187 N GLU B 59 5.162 -7.092 -7.566 1.00 0.00 N ATOM 2188 CA GLU B 59 4.253 -8.040 -8.195 1.00 0.00 C ATOM 2189 C GLU B 59 3.534 -8.881 -7.143 1.00 0.00 C ATOM 2190 O GLU B 59 2.312 -9.031 -7.186 1.00 0.00 O ATOM 2191 CB GLU B 59 5.010 -8.952 -9.164 1.00 0.00 C ATOM 2192 CG GLU B 59 4.119 -9.993 -9.819 1.00 0.00 C ATOM 2193 CD GLU B 59 4.858 -10.872 -10.800 1.00 0.00 C ATOM 2194 OE1 GLU B 59 5.220 -10.383 -11.890 1.00 0.00 O ATOM 2195 OE2 GLU B 59 5.061 -12.064 -10.498 1.00 0.00 O ATOM 0 H GLU B 59 6.145 -7.233 -7.799 1.00 0.00 H new ATOM 0 HA GLU B 59 3.510 -7.472 -8.755 1.00 0.00 H new ATOM 0 HB2 GLU B 59 5.477 -8.343 -9.938 1.00 0.00 H new ATOM 0 HB3 GLU B 59 5.814 -9.456 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU B 59 3.671 -10.618 -9.046 1.00 0.00 H new ATOM 0 HG3 GLU B 59 3.301 -9.490 -10.335 1.00 0.00 H new ATOM 2202 N GLN B 60 4.297 -9.419 -6.198 1.00 0.00 N ATOM 2203 CA GLN B 60 3.735 -10.237 -5.129 1.00 0.00 C ATOM 2204 C GLN B 60 2.851 -9.401 -4.210 1.00 0.00 C ATOM 2205 O GLN B 60 1.839 -9.884 -3.708 1.00 0.00 O ATOM 2206 CB GLN B 60 4.850 -10.902 -4.326 1.00 0.00 C ATOM 2207 CG GLN B 60 5.606 -11.967 -5.104 1.00 0.00 C ATOM 2208 CD GLN B 60 6.834 -12.460 -4.368 1.00 0.00 C ATOM 2209 OE1 GLN B 60 6.770 -13.411 -3.589 1.00 0.00 O ATOM 2210 NE2 GLN B 60 7.963 -11.815 -4.613 1.00 0.00 N ATOM 0 H GLN B 60 5.309 -9.303 -6.150 1.00 0.00 H new ATOM 0 HA GLN B 60 3.118 -11.012 -5.585 1.00 0.00 H new ATOM 0 HB2 GLN B 60 5.553 -10.138 -3.994 1.00 0.00 H new ATOM 0 HB3 GLN B 60 4.423 -11.353 -3.430 1.00 0.00 H new ATOM 0 HG2 GLN B 60 4.942 -12.809 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN B 60 5.904 -11.563 -6.071 1.00 0.00 H new ATOM 0 HE21 GLN B 60 7.971 -11.032 -5.266 1.00 0.00 H new ATOM 0 HE22 GLN B 60 8.825 -12.101 -4.149 1.00 0.00 H new ATOM 2219 N PHE B 61 3.238 -8.149 -4.003 1.00 0.00 N ATOM 2220 CA PHE B 61 2.450 -7.226 -3.198 1.00 0.00 C ATOM 2221 C PHE B 61 1.075 -7.025 -3.825 1.00 0.00 C ATOM 2222 O PHE B 61 0.049 -7.144 -3.155 1.00 0.00 O ATOM 2223 CB PHE B 61 3.178 -5.884 -3.070 1.00 0.00 C ATOM 2224 CG PHE B 61 2.478 -4.896 -2.185 1.00 0.00 C ATOM 2225 CD1 PHE B 61 2.586 -4.987 -0.808 1.00 0.00 C ATOM 2226 CD2 PHE B 61 1.709 -3.877 -2.727 1.00 0.00 C ATOM 2227 CE1 PHE B 61 1.943 -4.083 0.012 1.00 0.00 C ATOM 2228 CE2 PHE B 61 1.063 -2.970 -1.911 1.00 0.00 C ATOM 2229 CZ PHE B 61 1.179 -3.072 -0.539 1.00 0.00 C ATOM 0 H PHE B 61 4.096 -7.749 -4.383 1.00 0.00 H new ATOM 0 HA PHE B 61 2.321 -7.649 -2.202 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.180 -6.061 -2.679 1.00 0.00 H new ATOM 0 HB3 PHE B 61 3.295 -5.449 -4.063 1.00 0.00 H new ATOM 0 HD1 PHE B 61 3.181 -5.775 -0.370 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.614 -3.792 -3.800 1.00 0.00 H new ATOM 0 HE1 PHE B 61 2.037 -4.165 1.085 1.00 0.00 H new ATOM 0 HE2 PHE B 61 0.467 -2.181 -2.346 1.00 0.00 H new ATOM 0 HZ PHE B 61 0.674 -2.364 0.101 1.00 0.00 H new ATOM 2239 N ALA B 62 1.068 -6.735 -5.121 1.00 0.00 N ATOM 2240 CA ALA B 62 -0.175 -6.574 -5.864 1.00 0.00 C ATOM 2241 C ALA B 62 -0.980 -7.866 -5.849 1.00 0.00 C ATOM 2242 O ALA B 62 -2.202 -7.849 -5.711 1.00 0.00 O ATOM 2243 CB ALA B 62 0.116 -6.150 -7.295 1.00 0.00 C ATOM 0 H ALA B 62 1.912 -6.606 -5.680 1.00 0.00 H new ATOM 0 HA ALA B 62 -0.765 -5.795 -5.382 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -0.822 -6.034 -7.838 1.00 0.00 H new ATOM 0 HB2 ALA B 62 0.653 -5.202 -7.291 1.00 0.00 H new ATOM 0 HB3 ALA B 62 0.726 -6.910 -7.783 1.00 0.00 H new ATOM 2249 N LYS B 63 -0.276 -8.986 -5.980 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.900 -10.303 -5.961 1.00 0.00 C ATOM 2251 C LYS B 63 -1.596 -10.547 -4.624 1.00 0.00 C ATOM 2252 O LYS B 63 -2.737 -11.011 -4.584 1.00 0.00 O ATOM 2253 CB LYS B 63 0.156 -11.383 -6.208 1.00 0.00 C ATOM 2254 CG LYS B 63 -0.412 -12.787 -6.338 1.00 0.00 C ATOM 2255 CD LYS B 63 0.693 -13.822 -6.489 1.00 0.00 C ATOM 2256 CE LYS B 63 1.548 -13.572 -7.723 1.00 0.00 C ATOM 2257 NZ LYS B 63 0.774 -13.717 -8.984 1.00 0.00 N ATOM 0 H LYS B 63 0.737 -9.006 -6.102 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.648 -10.346 -6.753 1.00 0.00 H new ATOM 0 HB2 LYS B 63 0.704 -11.139 -7.118 1.00 0.00 H new ATOM 0 HB3 LYS B 63 0.875 -11.368 -5.389 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -1.013 -13.020 -5.459 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.077 -12.834 -7.201 1.00 0.00 H new ATOM 0 HD2 LYS B 63 1.326 -13.808 -5.601 1.00 0.00 H new ATOM 0 HD3 LYS B 63 0.251 -14.817 -6.550 1.00 0.00 H new ATOM 0 HE2 LYS B 63 1.971 -12.569 -7.672 1.00 0.00 H new ATOM 0 HE3 LYS B 63 2.385 -14.271 -7.730 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 1.417 -13.638 -9.797 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 0.308 -14.646 -9.000 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 0.055 -12.968 -9.038 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.901 -10.221 -3.537 1.00 0.00 N ATOM 2272 CA ALA B 64 -1.446 -10.378 -2.193 1.00 0.00 C ATOM 2273 C ALA B 64 -2.734 -9.582 -2.034 1.00 0.00 C ATOM 2274 O ALA B 64 -3.744 -10.106 -1.563 1.00 0.00 O ATOM 2275 CB ALA B 64 -0.423 -9.939 -1.154 1.00 0.00 C ATOM 0 H ALA B 64 0.047 -9.844 -3.563 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.675 -11.432 -2.039 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.843 -10.061 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA B 64 0.475 -10.549 -1.247 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -0.168 -8.891 -1.314 1.00 0.00 H new ATOM 2281 N LEU B 65 -2.691 -8.318 -2.438 1.00 0.00 N ATOM 2282 CA LEU B 65 -3.861 -7.449 -2.373 1.00 0.00 C ATOM 2283 C LEU B 65 -4.994 -7.997 -3.237 1.00 0.00 C ATOM 2284 O LEU B 65 -6.132 -8.114 -2.781 1.00 0.00 O ATOM 2285 CB LEU B 65 -3.499 -6.025 -2.816 1.00 0.00 C ATOM 2286 CG LEU B 65 -3.016 -5.078 -1.711 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -1.810 -5.644 -0.981 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -2.684 -3.715 -2.299 1.00 0.00 C ATOM 0 H LEU B 65 -1.856 -7.870 -2.815 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.201 -7.418 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -2.721 -6.090 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -4.374 -5.580 -3.291 1.00 0.00 H new ATOM 0 HG LEU B 65 -3.823 -4.969 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -1.494 -4.947 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -2.075 -6.598 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.994 -5.794 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -2.342 -3.050 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -1.898 -3.823 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.574 -3.294 -2.767 1.00 0.00 H new ATOM 2300 N ALA B 66 -4.666 -8.356 -4.477 1.00 0.00 N ATOM 2301 CA ALA B 66 -5.652 -8.865 -5.425 1.00 0.00 C ATOM 2302 C ALA B 66 -6.361 -10.103 -4.885 1.00 0.00 C ATOM 2303 O ALA B 66 -7.588 -10.182 -4.910 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.993 -9.175 -6.761 1.00 0.00 C ATOM 0 H ALA B 66 -3.718 -8.303 -4.849 1.00 0.00 H new ATOM 0 HA ALA B 66 -6.402 -8.088 -5.571 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -5.742 -9.554 -7.457 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -4.547 -8.267 -7.166 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -4.217 -9.927 -6.618 1.00 0.00 H new ATOM 2310 N GLN B 67 -5.586 -11.064 -4.389 1.00 0.00 N ATOM 2311 CA GLN B 67 -6.148 -12.299 -3.850 1.00 0.00 C ATOM 2312 C GLN B 67 -7.002 -12.025 -2.616 1.00 0.00 C ATOM 2313 O GLN B 67 -8.061 -12.632 -2.441 1.00 0.00 O ATOM 2314 CB GLN B 67 -5.036 -13.296 -3.508 1.00 0.00 C ATOM 2315 CG GLN B 67 -4.372 -13.919 -4.727 1.00 0.00 C ATOM 2316 CD GLN B 67 -5.322 -14.794 -5.527 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -5.441 -15.992 -5.276 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -5.999 -14.202 -6.499 1.00 0.00 N ATOM 0 H GLN B 67 -4.568 -11.011 -4.349 1.00 0.00 H new ATOM 0 HA GLN B 67 -6.787 -12.734 -4.619 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -4.277 -12.789 -2.912 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -5.451 -14.090 -2.887 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -3.985 -13.128 -5.369 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -3.518 -14.515 -4.406 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -5.872 -13.205 -6.675 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -6.648 -14.743 -7.071 1.00 0.00 H new ATOM 2327 N SER B 68 -6.552 -11.097 -1.778 1.00 0.00 N ATOM 2328 CA SER B 68 -7.281 -10.745 -0.564 1.00 0.00 C ATOM 2329 C SER B 68 -8.646 -10.148 -0.899 1.00 0.00 C ATOM 2330 O SER B 68 -9.667 -10.553 -0.333 1.00 0.00 O ATOM 2331 CB SER B 68 -6.462 -9.766 0.281 1.00 0.00 C ATOM 2332 OG SER B 68 -5.216 -10.337 0.652 1.00 0.00 O ATOM 0 H SER B 68 -5.687 -10.575 -1.917 1.00 0.00 H new ATOM 0 HA SER B 68 -7.443 -11.656 0.012 1.00 0.00 H new ATOM 0 HB2 SER B 68 -6.293 -8.848 -0.281 1.00 0.00 H new ATOM 0 HB3 SER B 68 -7.023 -9.494 1.175 1.00 0.00 H new ATOM 0 HG SER B 68 -4.553 -10.158 -0.047 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.664 -9.203 -1.834 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.910 -8.576 -2.264 1.00 0.00 C ATOM 2340 C VAL B 69 -10.789 -9.582 -2.997 1.00 0.00 C ATOM 2341 O VAL B 69 -11.999 -9.644 -2.777 1.00 0.00 O ATOM 2342 CB VAL B 69 -9.652 -7.366 -3.190 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.963 -6.735 -3.633 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -8.775 -6.334 -2.502 1.00 0.00 C ATOM 0 H VAL B 69 -7.831 -8.855 -2.308 1.00 0.00 H new ATOM 0 HA VAL B 69 -10.418 -8.225 -1.365 1.00 0.00 H new ATOM 0 HB VAL B 69 -9.127 -7.728 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -10.756 -5.885 -4.284 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -11.556 -7.471 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -11.517 -6.395 -2.758 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -8.608 -5.492 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -9.269 -5.983 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -7.818 -6.786 -2.241 1.00 0.00 H new ATOM 2354 N LYS B 70 -10.168 -10.380 -3.856 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.890 -11.362 -4.652 1.00 0.00 C ATOM 2356 C LYS B 70 -11.565 -12.393 -3.750 1.00 0.00 C ATOM 2357 O LYS B 70 -12.680 -12.834 -4.021 1.00 0.00 O ATOM 2358 CB LYS B 70 -9.936 -12.064 -5.621 1.00 0.00 C ATOM 2359 CG LYS B 70 -10.636 -12.684 -6.816 1.00 0.00 C ATOM 2360 CD LYS B 70 -11.260 -11.615 -7.699 1.00 0.00 C ATOM 2361 CE LYS B 70 -11.970 -12.219 -8.898 1.00 0.00 C ATOM 2362 NZ LYS B 70 -11.054 -13.042 -9.728 1.00 0.00 N ATOM 0 H LYS B 70 -9.161 -10.365 -4.019 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.658 -10.841 -5.224 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -9.197 -11.345 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -9.393 -12.842 -5.084 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -9.922 -13.269 -7.396 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -11.408 -13.373 -6.472 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -11.969 -11.028 -7.114 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -10.485 -10.929 -8.042 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -12.801 -12.835 -8.555 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -12.395 -11.422 -9.508 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -11.500 -13.239 -10.647 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -10.164 -12.526 -9.879 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -10.855 -13.939 -9.241 1.00 0.00 H new ATOM 2376 N SER B 71 -10.887 -12.748 -2.662 1.00 0.00 N ATOM 2377 CA SER B 71 -11.411 -13.715 -1.703 1.00 0.00 C ATOM 2378 C SER B 71 -12.698 -13.201 -1.062 1.00 0.00 C ATOM 2379 O SER B 71 -13.541 -13.984 -0.629 1.00 0.00 O ATOM 2380 CB SER B 71 -10.358 -14.002 -0.627 1.00 0.00 C ATOM 2381 OG SER B 71 -10.817 -14.959 0.315 1.00 0.00 O ATOM 0 H SER B 71 -9.968 -12.377 -2.422 1.00 0.00 H new ATOM 0 HA SER B 71 -11.642 -14.639 -2.232 1.00 0.00 H new ATOM 0 HB2 SER B 71 -9.445 -14.365 -1.099 1.00 0.00 H new ATOM 0 HB3 SER B 71 -10.104 -13.076 -0.111 1.00 0.00 H new ATOM 0 HG SER B 71 -10.120 -15.119 0.985 1.00 0.00 H new