USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 895 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 HIS :FLIP no HD1:sc= -0.338 F(o=-3.9,f=-1.9) USER MOD Set 1.2: A 68 ASN : amide:sc= 0.319 K(o=-1.9,f=-19!) USER MOD Set 1.3: A 72 LYS NZ :NH3+ 136:sc= 0.948 (180deg=-0.43) USER MOD Set 1.4: A 122 LYS NZ :NH3+ -167:sc= -2.78! (180deg=-2.33!) USER MOD Set 2.1: A 13 THR OG1 : rot -90:sc= -3.18! USER MOD Set 2.2: A 50 MET CE :methyl -169:sc= -1.23 (180deg=-1.87) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 165:sc= -0.132 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.271 F(o=-1,f=-0.27) USER MOD Single : A 21 ASN : amide:sc= -0.307 K(o=-0.31,f=-3.3!) USER MOD Single : A 23 THR OG1 : rot 116:sc= 1.25 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.449 K(o=-0.45,f=-3.7!) USER MOD Single : A 34 MET CE :methyl -122:sc= -0.02 (180deg=-0.0473) USER MOD Single : A 38 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.3!) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -0.0954 F(o=-0.96,f=-0.095) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -134:sc=-0.00557 (180deg=-0.239) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0483 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 143:sc= -6.88! (180deg=-10.3!) USER MOD Single : A 61 LYS NZ :NH3+ 152:sc=-0.00978 (180deg=-0.185) USER MOD Single : A 63 CYS SG : rot 58:sc= 0.73 USER MOD Single : A 65 THR OG1 : rot 85:sc= -2.1! USER MOD Single : A 75 ASN : amide:sc= -0.659 K(o=-0.66,f=-3.9!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -121:sc= -0.704 (180deg=-0.933) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 82 SER OG : rot 180:sc= -1.32! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 145:sc= -1.01 (180deg=-3.85!) USER MOD Single : A 96 THR OG1 : rot 88:sc= 0.553 USER MOD Single : A 98 MET CE :methyl -115:sc= -3.98! (180deg=-6.26!) USER MOD Single : A 101 LYS NZ :NH3+ -124:sc= -3.02! (180deg=-5.21!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.14) USER MOD Single : A 118 SER OG : rot 180:sc= -0.233 USER MOD Single : A 120 THR OG1 : rot 89:sc= 0.0287 USER MOD Single : A 123 SER OG : rot 106:sc= 0.294 USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 8 8.275 -17.741 2.592 1.00 0.00 N ATOM 115 CA VAL A 8 9.200 -16.574 2.690 1.00 0.00 C ATOM 116 C VAL A 8 8.580 -15.367 2.006 1.00 0.00 C ATOM 117 O VAL A 8 8.832 -14.232 2.360 1.00 0.00 O ATOM 118 CB VAL A 8 10.477 -17.012 1.975 1.00 0.00 C ATOM 119 CG1 VAL A 8 11.366 -15.793 1.722 1.00 0.00 C ATOM 120 CG2 VAL A 8 11.227 -18.020 2.847 1.00 0.00 C ATOM 0 HA VAL A 8 9.401 -16.286 3.722 1.00 0.00 H new ATOM 0 HB VAL A 8 10.220 -17.475 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.277 -16.107 1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.831 -15.075 1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.625 -15.328 2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.139 -18.334 2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.484 -17.557 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.594 -18.889 3.025 1.00 0.00 H new ATOM 130 N PHE A 9 7.755 -15.608 1.042 1.00 0.00 N ATOM 131 CA PHE A 9 7.086 -14.484 0.337 1.00 0.00 C ATOM 132 C PHE A 9 6.097 -13.821 1.294 1.00 0.00 C ATOM 133 O PHE A 9 5.930 -12.617 1.300 1.00 0.00 O ATOM 134 CB PHE A 9 6.361 -15.121 -0.847 1.00 0.00 C ATOM 135 CG PHE A 9 7.031 -14.689 -2.131 1.00 0.00 C ATOM 136 CD1 PHE A 9 8.215 -15.311 -2.545 1.00 0.00 C ATOM 137 CD2 PHE A 9 6.470 -13.666 -2.903 1.00 0.00 C ATOM 138 CE1 PHE A 9 8.838 -14.910 -3.732 1.00 0.00 C ATOM 139 CE2 PHE A 9 7.093 -13.263 -4.091 1.00 0.00 C ATOM 140 CZ PHE A 9 8.278 -13.886 -4.505 1.00 0.00 C ATOM 0 H PHE A 9 7.510 -16.539 0.705 1.00 0.00 H new ATOM 0 HA PHE A 9 7.783 -13.717 -0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.382 -16.207 -0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.313 -14.821 -0.851 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.648 -16.100 -1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.556 -13.187 -2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.751 -15.390 -4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.661 -12.473 -4.687 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.759 -13.576 -5.421 1.00 0.00 H new ATOM 150 N VAL A 10 5.459 -14.602 2.125 1.00 0.00 N ATOM 151 CA VAL A 10 4.501 -14.022 3.105 1.00 0.00 C ATOM 152 C VAL A 10 5.284 -13.252 4.166 1.00 0.00 C ATOM 153 O VAL A 10 4.883 -12.192 4.603 1.00 0.00 O ATOM 154 CB VAL A 10 3.782 -15.220 3.728 1.00 0.00 C ATOM 155 CG1 VAL A 10 2.986 -14.758 4.952 1.00 0.00 C ATOM 156 CG2 VAL A 10 2.827 -15.834 2.702 1.00 0.00 C ATOM 0 H VAL A 10 5.561 -15.616 2.166 1.00 0.00 H new ATOM 0 HA VAL A 10 3.792 -13.332 2.647 1.00 0.00 H new ATOM 0 HB VAL A 10 4.517 -15.965 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.474 -15.611 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.665 -14.321 5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.252 -14.012 4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.315 -16.687 3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.092 -15.089 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.392 -16.164 1.830 1.00 0.00 H new ATOM 166 N ASP A 11 6.415 -13.767 4.569 1.00 0.00 N ATOM 167 CA ASP A 11 7.233 -13.046 5.582 1.00 0.00 C ATOM 168 C ASP A 11 7.790 -11.778 4.950 1.00 0.00 C ATOM 169 O ASP A 11 8.139 -10.825 5.619 1.00 0.00 O ATOM 170 CB ASP A 11 8.358 -14.011 5.958 1.00 0.00 C ATOM 171 CG ASP A 11 9.344 -13.308 6.893 1.00 0.00 C ATOM 172 OD1 ASP A 11 9.031 -12.219 7.342 1.00 0.00 O ATOM 173 OD2 ASP A 11 10.396 -13.873 7.145 1.00 0.00 O ATOM 0 H ASP A 11 6.805 -14.651 4.242 1.00 0.00 H new ATOM 0 HA ASP A 11 6.661 -12.753 6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.946 -14.895 6.445 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.873 -14.353 5.060 1.00 0.00 H new ATOM 178 N GLU A 12 7.850 -11.766 3.655 1.00 0.00 N ATOM 179 CA GLU A 12 8.357 -10.568 2.933 1.00 0.00 C ATOM 180 C GLU A 12 7.209 -9.582 2.719 1.00 0.00 C ATOM 181 O GLU A 12 7.361 -8.387 2.878 1.00 0.00 O ATOM 182 CB GLU A 12 8.863 -11.098 1.593 1.00 0.00 C ATOM 183 CG GLU A 12 10.339 -11.473 1.718 1.00 0.00 C ATOM 184 CD GLU A 12 11.157 -10.672 0.704 1.00 0.00 C ATOM 185 OE1 GLU A 12 10.729 -10.582 -0.435 1.00 0.00 O ATOM 186 OE2 GLU A 12 12.198 -10.160 1.084 1.00 0.00 O ATOM 0 H GLU A 12 7.567 -12.542 3.056 1.00 0.00 H new ATOM 0 HA GLU A 12 9.141 -10.045 3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.280 -11.968 1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.733 -10.342 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.693 -11.269 2.729 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.470 -12.541 1.544 1.00 0.00 H new ATOM 193 N THR A 13 6.056 -10.079 2.360 1.00 0.00 N ATOM 194 CA THR A 13 4.890 -9.175 2.137 1.00 0.00 C ATOM 195 C THR A 13 4.559 -8.421 3.429 1.00 0.00 C ATOM 196 O THR A 13 4.162 -7.272 3.406 1.00 0.00 O ATOM 197 CB THR A 13 3.740 -10.101 1.705 1.00 0.00 C ATOM 198 OG1 THR A 13 2.886 -9.399 0.813 1.00 0.00 O ATOM 199 CG2 THR A 13 2.929 -10.565 2.920 1.00 0.00 C ATOM 0 H THR A 13 5.871 -11.071 2.212 1.00 0.00 H new ATOM 0 HA THR A 13 5.084 -8.415 1.380 1.00 0.00 H new ATOM 0 HB THR A 13 4.163 -10.977 1.213 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.183 -8.945 1.323 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.121 -11.219 2.590 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.579 -11.109 3.605 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.509 -9.698 3.430 1.00 0.00 H new ATOM 207 N LYS A 14 4.730 -9.056 4.559 1.00 0.00 N ATOM 208 CA LYS A 14 4.437 -8.372 5.849 1.00 0.00 C ATOM 209 C LYS A 14 5.559 -7.382 6.166 1.00 0.00 C ATOM 210 O LYS A 14 5.316 -6.267 6.580 1.00 0.00 O ATOM 211 CB LYS A 14 4.379 -9.489 6.892 1.00 0.00 C ATOM 212 CG LYS A 14 3.038 -10.217 6.784 1.00 0.00 C ATOM 213 CD LYS A 14 3.280 -11.725 6.701 1.00 0.00 C ATOM 214 CE LYS A 14 2.575 -12.423 7.867 1.00 0.00 C ATOM 215 NZ LYS A 14 3.523 -12.315 9.012 1.00 0.00 N ATOM 0 H LYS A 14 5.060 -10.018 4.642 1.00 0.00 H new ATOM 0 HA LYS A 14 3.506 -7.806 5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.199 -10.190 6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.500 -9.074 7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.416 -9.985 7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.497 -9.876 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.906 -12.112 5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.349 -11.934 6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.623 -11.944 8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.359 -13.465 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.109 -12.772 9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.418 -12.786 8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.705 -11.312 9.219 1.00 0.00 H new ATOM 229 N GLU A 15 6.788 -7.772 5.951 1.00 0.00 N ATOM 230 CA GLU A 15 7.913 -6.835 6.219 1.00 0.00 C ATOM 231 C GLU A 15 7.798 -5.629 5.290 1.00 0.00 C ATOM 232 O GLU A 15 8.439 -4.613 5.475 1.00 0.00 O ATOM 233 CB GLU A 15 9.185 -7.630 5.917 1.00 0.00 C ATOM 234 CG GLU A 15 9.404 -8.679 7.008 1.00 0.00 C ATOM 235 CD GLU A 15 10.661 -9.493 6.688 1.00 0.00 C ATOM 236 OE1 GLU A 15 10.546 -10.460 5.953 1.00 0.00 O ATOM 237 OE2 GLU A 15 11.716 -9.134 7.184 1.00 0.00 O ATOM 0 H GLU A 15 7.058 -8.692 5.604 1.00 0.00 H new ATOM 0 HA GLU A 15 7.913 -6.462 7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.101 -8.114 4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.042 -6.959 5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.509 -8.194 7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.538 -9.338 7.073 1.00 0.00 H new ATOM 244 N TYR A 16 6.971 -5.745 4.296 1.00 0.00 N ATOM 245 CA TYR A 16 6.772 -4.630 3.337 1.00 0.00 C ATOM 246 C TYR A 16 5.658 -3.716 3.837 1.00 0.00 C ATOM 247 O TYR A 16 5.763 -2.512 3.775 1.00 0.00 O ATOM 248 CB TYR A 16 6.363 -5.305 2.027 1.00 0.00 C ATOM 249 CG TYR A 16 7.234 -4.811 0.899 1.00 0.00 C ATOM 250 CD1 TYR A 16 7.447 -3.438 0.726 1.00 0.00 C ATOM 251 CD2 TYR A 16 7.824 -5.727 0.021 1.00 0.00 C ATOM 252 CE1 TYR A 16 8.251 -2.982 -0.325 1.00 0.00 C ATOM 253 CE2 TYR A 16 8.627 -5.272 -1.030 1.00 0.00 C ATOM 254 CZ TYR A 16 8.840 -3.899 -1.204 1.00 0.00 C ATOM 255 OH TYR A 16 9.632 -3.450 -2.241 1.00 0.00 O ATOM 0 H TYR A 16 6.415 -6.578 4.104 1.00 0.00 H new ATOM 0 HA TYR A 16 7.665 -4.017 3.216 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.455 -6.387 2.122 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.316 -5.092 1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.991 -2.731 1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.659 -6.786 0.155 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.417 -1.923 -0.458 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.083 -5.979 -1.707 1.00 0.00 H new ATOM 0 HH TYR A 16 10.151 -4.198 -2.604 1.00 0.00 H new ATOM 265 N LEU A 17 4.594 -4.276 4.341 1.00 0.00 N ATOM 266 CA LEU A 17 3.492 -3.418 4.854 1.00 0.00 C ATOM 267 C LEU A 17 4.034 -2.555 5.987 1.00 0.00 C ATOM 268 O LEU A 17 3.689 -1.399 6.126 1.00 0.00 O ATOM 269 CB LEU A 17 2.427 -4.386 5.363 1.00 0.00 C ATOM 270 CG LEU A 17 1.844 -5.159 4.181 1.00 0.00 C ATOM 271 CD1 LEU A 17 0.736 -6.091 4.674 1.00 0.00 C ATOM 272 CD2 LEU A 17 1.265 -4.171 3.165 1.00 0.00 C ATOM 0 H LEU A 17 4.441 -5.281 4.419 1.00 0.00 H new ATOM 0 HA LEU A 17 3.080 -2.751 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.862 -5.077 6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.638 -3.839 5.880 1.00 0.00 H new ATOM 0 HG LEU A 17 2.630 -5.750 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.321 -6.642 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.147 -6.794 5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.051 -5.503 5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.848 -4.720 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.479 -3.581 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.054 -3.507 2.812 1.00 0.00 H new ATOM 284 N GLN A 18 4.905 -3.108 6.780 1.00 0.00 N ATOM 285 CA GLN A 18 5.505 -2.321 7.886 1.00 0.00 C ATOM 286 C GLN A 18 6.447 -1.304 7.275 1.00 0.00 C ATOM 287 O GLN A 18 6.408 -0.128 7.573 1.00 0.00 O ATOM 288 CB GLN A 18 6.227 -3.359 8.743 1.00 0.00 C ATOM 289 CG GLN A 18 7.725 -3.049 8.869 1.00 0.00 C ATOM 290 CD GLN A 18 8.304 -3.803 10.067 1.00 0.00 C ATOM 291 OE1 GLN A 18 8.287 -3.308 11.176 1.00 0.00 O ATOM 292 NE2 GLN A 18 8.818 -4.989 9.889 1.00 0.00 N ATOM 0 H GLN A 18 5.227 -4.073 6.709 1.00 0.00 H new ATOM 0 HA GLN A 18 4.791 -1.764 8.493 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.777 -3.388 9.735 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.096 -4.348 8.304 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.245 -3.340 7.957 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.876 -1.977 8.993 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.832 -5.404 8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.206 -5.501 10.681 1.00 0.00 H new ATOM 301 N ASN A 19 7.251 -1.757 6.377 1.00 0.00 N ATOM 302 CA ASN A 19 8.160 -0.829 5.675 1.00 0.00 C ATOM 303 C ASN A 19 7.285 0.138 4.900 1.00 0.00 C ATOM 304 O ASN A 19 7.655 1.258 4.603 1.00 0.00 O ATOM 305 CB ASN A 19 8.989 -1.713 4.739 1.00 0.00 C ATOM 306 CG ASN A 19 9.575 -0.859 3.612 1.00 0.00 C ATOM 307 OD1 ASN A 19 10.036 0.331 3.882 1.00 0.00 O flip ATOM 308 ND2 ASN A 19 9.614 -1.281 2.472 1.00 0.00 N flip ATOM 0 H ASN A 19 7.321 -2.735 6.095 1.00 0.00 H new ATOM 0 HA ASN A 19 8.817 -0.255 6.328 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.791 -2.198 5.296 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.366 -2.504 4.323 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.254 -2.211 2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.007 -0.705 1.728 1.00 0.00 H new ATOM 315 N LEU A 20 6.099 -0.300 4.607 1.00 0.00 N ATOM 316 CA LEU A 20 5.136 0.559 3.881 1.00 0.00 C ATOM 317 C LEU A 20 4.289 1.323 4.889 1.00 0.00 C ATOM 318 O LEU A 20 3.613 2.274 4.553 1.00 0.00 O ATOM 319 CB LEU A 20 4.285 -0.403 3.050 1.00 0.00 C ATOM 320 CG LEU A 20 2.977 0.278 2.649 1.00 0.00 C ATOM 321 CD1 LEU A 20 3.269 1.416 1.669 1.00 0.00 C ATOM 322 CD2 LEU A 20 2.058 -0.747 1.981 1.00 0.00 C ATOM 0 H LEU A 20 5.752 -1.230 4.843 1.00 0.00 H new ATOM 0 HA LEU A 20 5.620 1.299 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.833 -0.712 2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.075 -1.306 3.624 1.00 0.00 H new ATOM 0 HG LEU A 20 2.491 0.683 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.335 1.900 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.926 2.145 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.755 1.015 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.124 -0.265 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.546 -1.150 1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.848 -1.557 2.679 1.00 0.00 H new ATOM 334 N ASN A 21 4.367 0.949 6.137 1.00 0.00 N ATOM 335 CA ASN A 21 3.621 1.684 7.174 1.00 0.00 C ATOM 336 C ASN A 21 4.565 2.726 7.704 1.00 0.00 C ATOM 337 O ASN A 21 4.182 3.789 8.149 1.00 0.00 O ATOM 338 CB ASN A 21 3.268 0.663 8.251 1.00 0.00 C ATOM 339 CG ASN A 21 1.812 0.227 8.084 1.00 0.00 C ATOM 340 OD1 ASN A 21 1.149 0.629 7.148 1.00 0.00 O ATOM 341 ND2 ASN A 21 1.281 -0.582 8.960 1.00 0.00 N ATOM 0 H ASN A 21 4.920 0.162 6.475 1.00 0.00 H new ATOM 0 HA ASN A 21 2.710 2.163 6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.928 -0.201 8.178 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.418 1.096 9.240 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.310 -0.877 8.859 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.837 -0.919 9.746 1.00 0.00 H new ATOM 348 N ASP A 22 5.822 2.423 7.616 1.00 0.00 N ATOM 349 CA ASP A 22 6.832 3.383 8.067 1.00 0.00 C ATOM 350 C ASP A 22 6.845 4.517 7.074 1.00 0.00 C ATOM 351 O ASP A 22 7.037 5.673 7.398 1.00 0.00 O ATOM 352 CB ASP A 22 8.163 2.628 8.092 1.00 0.00 C ATOM 353 CG ASP A 22 8.666 2.527 9.534 1.00 0.00 C ATOM 354 OD1 ASP A 22 8.486 3.483 10.272 1.00 0.00 O ATOM 355 OD2 ASP A 22 9.220 1.496 9.877 1.00 0.00 O ATOM 0 H ASP A 22 6.187 1.545 7.248 1.00 0.00 H new ATOM 0 HA ASP A 22 6.636 3.796 9.056 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.036 1.631 7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.898 3.145 7.475 1.00 0.00 H new ATOM 360 N THR A 23 6.591 4.167 5.865 1.00 0.00 N ATOM 361 CA THR A 23 6.514 5.166 4.779 1.00 0.00 C ATOM 362 C THR A 23 5.161 5.861 4.839 1.00 0.00 C ATOM 363 O THR A 23 5.039 7.043 4.600 1.00 0.00 O ATOM 364 CB THR A 23 6.567 4.320 3.527 1.00 0.00 C ATOM 365 OG1 THR A 23 7.783 3.586 3.495 1.00 0.00 O ATOM 366 CG2 THR A 23 6.462 5.211 2.290 1.00 0.00 C ATOM 0 H THR A 23 6.428 3.204 5.569 1.00 0.00 H new ATOM 0 HA THR A 23 7.295 5.925 4.831 1.00 0.00 H new ATOM 0 HB THR A 23 5.729 3.623 3.531 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.588 2.627 3.551 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.501 4.594 1.393 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.519 5.757 2.314 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.291 5.919 2.280 1.00 0.00 H new ATOM 374 N LEU A 24 4.138 5.110 5.157 1.00 0.00 N ATOM 375 CA LEU A 24 2.776 5.697 5.232 1.00 0.00 C ATOM 376 C LEU A 24 2.615 6.422 6.551 1.00 0.00 C ATOM 377 O LEU A 24 1.861 7.368 6.662 1.00 0.00 O ATOM 378 CB LEU A 24 1.814 4.510 5.152 1.00 0.00 C ATOM 379 CG LEU A 24 1.329 4.337 3.711 1.00 0.00 C ATOM 380 CD1 LEU A 24 0.610 2.993 3.570 1.00 0.00 C ATOM 381 CD2 LEU A 24 0.360 5.469 3.364 1.00 0.00 C ATOM 0 H LEU A 24 4.192 4.113 5.368 1.00 0.00 H new ATOM 0 HA LEU A 24 2.587 6.415 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.313 3.602 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.964 4.673 5.815 1.00 0.00 H new ATOM 0 HG LEU A 24 2.183 4.364 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.265 2.871 2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.297 2.185 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.245 2.965 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.013 5.349 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.493 5.438 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.869 6.427 3.465 1.00 0.00 H new ATOM 393 N LEU A 25 3.329 6.005 7.557 1.00 0.00 N ATOM 394 CA LEU A 25 3.192 6.724 8.855 1.00 0.00 C ATOM 395 C LEU A 25 4.148 7.902 8.884 1.00 0.00 C ATOM 396 O LEU A 25 3.971 8.857 9.614 1.00 0.00 O ATOM 397 CB LEU A 25 3.489 5.704 9.937 1.00 0.00 C ATOM 398 CG LEU A 25 4.980 5.567 10.114 1.00 0.00 C ATOM 399 CD1 LEU A 25 5.501 6.697 11.004 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.278 4.218 10.764 1.00 0.00 C ATOM 0 H LEU A 25 3.983 5.222 7.543 1.00 0.00 H new ATOM 0 HA LEU A 25 2.194 7.136 9.005 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.029 6.012 10.876 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.055 4.740 9.670 1.00 0.00 H new ATOM 0 HG LEU A 25 5.474 5.626 9.144 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.579 6.594 11.129 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.280 7.658 10.539 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.016 6.645 11.979 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.354 4.108 10.897 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.785 4.165 11.735 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.908 3.416 10.125 1.00 0.00 H new ATOM 412 N GLU A 26 5.114 7.862 8.034 1.00 0.00 N ATOM 413 CA GLU A 26 6.054 8.994 7.911 1.00 0.00 C ATOM 414 C GLU A 26 5.480 9.881 6.841 1.00 0.00 C ATOM 415 O GLU A 26 5.673 11.081 6.814 1.00 0.00 O ATOM 416 CB GLU A 26 7.397 8.392 7.489 1.00 0.00 C ATOM 417 CG GLU A 26 8.040 7.683 8.683 1.00 0.00 C ATOM 418 CD GLU A 26 8.494 8.724 9.709 1.00 0.00 C ATOM 419 OE1 GLU A 26 7.636 9.312 10.345 1.00 0.00 O ATOM 420 OE2 GLU A 26 9.692 8.912 9.840 1.00 0.00 O ATOM 0 H GLU A 26 5.299 7.080 7.406 1.00 0.00 H new ATOM 0 HA GLU A 26 6.197 9.570 8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.250 7.687 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.058 9.176 7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.328 6.995 9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.891 7.088 8.351 1.00 0.00 H new ATOM 427 N LEU A 27 4.735 9.275 5.970 1.00 0.00 N ATOM 428 CA LEU A 27 4.091 10.038 4.904 1.00 0.00 C ATOM 429 C LEU A 27 3.003 10.912 5.525 1.00 0.00 C ATOM 430 O LEU A 27 2.658 11.954 5.013 1.00 0.00 O ATOM 431 CB LEU A 27 3.501 9.002 3.946 1.00 0.00 C ATOM 432 CG LEU A 27 2.528 9.682 2.985 1.00 0.00 C ATOM 433 CD1 LEU A 27 3.317 10.461 1.931 1.00 0.00 C ATOM 434 CD2 LEU A 27 1.673 8.617 2.297 1.00 0.00 C ATOM 0 H LEU A 27 4.549 8.272 5.960 1.00 0.00 H new ATOM 0 HA LEU A 27 4.778 10.694 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.299 8.515 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.986 8.224 4.509 1.00 0.00 H new ATOM 0 HG LEU A 27 1.885 10.367 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.624 10.947 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.932 11.216 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.958 9.776 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.977 9.098 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.318 7.935 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.114 8.058 3.048 1.00 0.00 H new ATOM 446 N GLU A 28 2.479 10.500 6.652 1.00 0.00 N ATOM 447 CA GLU A 28 1.441 11.324 7.327 1.00 0.00 C ATOM 448 C GLU A 28 2.095 12.611 7.824 1.00 0.00 C ATOM 449 O GLU A 28 1.547 13.689 7.703 1.00 0.00 O ATOM 450 CB GLU A 28 0.959 10.487 8.512 1.00 0.00 C ATOM 451 CG GLU A 28 0.339 9.183 8.013 1.00 0.00 C ATOM 452 CD GLU A 28 -1.041 9.004 8.649 1.00 0.00 C ATOM 453 OE1 GLU A 28 -1.772 9.980 8.713 1.00 0.00 O ATOM 454 OE2 GLU A 28 -1.344 7.896 9.060 1.00 0.00 O ATOM 0 H GLU A 28 2.726 9.633 7.129 1.00 0.00 H new ATOM 0 HA GLU A 28 0.614 11.588 6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.794 10.271 9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.226 11.049 9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.252 9.201 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.982 8.340 8.268 1.00 0.00 H new ATOM 461 N LYS A 29 3.286 12.505 8.354 1.00 0.00 N ATOM 462 CA LYS A 29 3.996 13.724 8.826 1.00 0.00 C ATOM 463 C LYS A 29 4.501 14.473 7.604 1.00 0.00 C ATOM 464 O LYS A 29 4.727 15.666 7.622 1.00 0.00 O ATOM 465 CB LYS A 29 5.163 13.228 9.682 1.00 0.00 C ATOM 466 CG LYS A 29 4.658 12.223 10.717 1.00 0.00 C ATOM 467 CD LYS A 29 5.752 11.193 10.994 1.00 0.00 C ATOM 468 CE LYS A 29 5.130 9.951 11.631 1.00 0.00 C ATOM 469 NZ LYS A 29 5.589 9.974 13.048 1.00 0.00 N ATOM 0 H LYS A 29 3.794 11.629 8.479 1.00 0.00 H new ATOM 0 HA LYS A 29 3.360 14.394 9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.918 12.763 9.049 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.642 14.070 10.183 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.385 12.738 11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.759 11.727 10.351 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.258 10.925 10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.506 11.617 11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.042 9.978 11.568 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.456 9.042 11.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.202 9.150 13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.628 9.941 13.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.258 10.847 13.506 1.00 0.00 H new ATOM 483 N ASN A 30 4.640 13.759 6.534 1.00 0.00 N ATOM 484 CA ASN A 30 5.087 14.372 5.257 1.00 0.00 C ATOM 485 C ASN A 30 4.334 13.696 4.133 1.00 0.00 C ATOM 486 O ASN A 30 4.842 12.836 3.441 1.00 0.00 O ATOM 487 CB ASN A 30 6.594 14.132 5.166 1.00 0.00 C ATOM 488 CG ASN A 30 7.336 15.405 5.580 1.00 0.00 C ATOM 489 OD1 ASN A 30 6.722 16.406 5.889 1.00 0.00 O ATOM 490 ND2 ASN A 30 8.641 15.409 5.596 1.00 0.00 N ATOM 0 H ASN A 30 4.460 12.756 6.485 1.00 0.00 H new ATOM 0 HA ASN A 30 4.890 15.442 5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.881 13.303 5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.868 13.852 4.149 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.145 16.253 5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.157 14.568 5.336 1.00 0.00 H new ATOM 497 N PRO A 31 3.111 14.107 4.041 1.00 0.00 N ATOM 498 CA PRO A 31 2.183 13.551 3.054 1.00 0.00 C ATOM 499 C PRO A 31 2.303 14.284 1.720 1.00 0.00 C ATOM 500 O PRO A 31 1.488 14.124 0.833 1.00 0.00 O ATOM 501 CB PRO A 31 0.838 13.790 3.714 1.00 0.00 C ATOM 502 CG PRO A 31 1.015 14.959 4.632 1.00 0.00 C ATOM 503 CD PRO A 31 2.483 15.142 4.865 1.00 0.00 C ATOM 0 HA PRO A 31 2.362 12.504 2.812 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.071 13.996 2.967 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.515 12.908 4.267 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.583 15.858 4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.498 14.785 5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.811 16.139 4.571 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.737 15.021 5.918 1.00 0.00 H new ATOM 511 N GLU A 32 3.326 15.072 1.568 1.00 0.00 N ATOM 512 CA GLU A 32 3.528 15.808 0.292 1.00 0.00 C ATOM 513 C GLU A 32 4.925 15.491 -0.226 1.00 0.00 C ATOM 514 O GLU A 32 5.311 15.888 -1.307 1.00 0.00 O ATOM 515 CB GLU A 32 3.396 17.305 0.625 1.00 0.00 C ATOM 516 CG GLU A 32 2.789 17.491 2.020 1.00 0.00 C ATOM 517 CD GLU A 32 2.792 18.975 2.391 1.00 0.00 C ATOM 518 OE1 GLU A 32 3.226 19.769 1.573 1.00 0.00 O ATOM 519 OE2 GLU A 32 2.361 19.291 3.488 1.00 0.00 O ATOM 0 H GLU A 32 4.038 15.240 2.279 1.00 0.00 H new ATOM 0 HA GLU A 32 2.804 15.527 -0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.375 17.781 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.769 17.796 -0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.770 17.104 2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.359 16.922 2.754 1.00 0.00 H new ATOM 526 N ASP A 33 5.679 14.765 0.550 1.00 0.00 N ATOM 527 CA ASP A 33 7.049 14.395 0.130 1.00 0.00 C ATOM 528 C ASP A 33 6.979 13.269 -0.901 1.00 0.00 C ATOM 529 O ASP A 33 6.354 12.251 -0.676 1.00 0.00 O ATOM 530 CB ASP A 33 7.741 13.919 1.408 1.00 0.00 C ATOM 531 CG ASP A 33 9.215 14.324 1.374 1.00 0.00 C ATOM 532 OD1 ASP A 33 9.518 15.421 1.815 1.00 0.00 O ATOM 533 OD2 ASP A 33 10.016 13.530 0.909 1.00 0.00 O ATOM 0 H ASP A 33 5.398 14.411 1.465 1.00 0.00 H new ATOM 0 HA ASP A 33 7.587 15.223 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.254 14.354 2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.653 12.836 1.500 1.00 0.00 H new ATOM 538 N MET A 34 7.598 13.443 -2.033 1.00 0.00 N ATOM 539 CA MET A 34 7.544 12.379 -3.074 1.00 0.00 C ATOM 540 C MET A 34 8.349 11.154 -2.640 1.00 0.00 C ATOM 541 O MET A 34 8.352 10.141 -3.309 1.00 0.00 O ATOM 542 CB MET A 34 8.153 13.013 -4.324 1.00 0.00 C ATOM 543 CG MET A 34 7.156 14.001 -4.933 1.00 0.00 C ATOM 544 SD MET A 34 7.087 13.766 -6.726 1.00 0.00 S ATOM 545 CE MET A 34 5.542 14.665 -7.010 1.00 0.00 C ATOM 0 H MET A 34 8.137 14.272 -2.283 1.00 0.00 H new ATOM 0 HA MET A 34 6.526 12.032 -3.249 1.00 0.00 H new ATOM 0 HB2 MET A 34 9.080 13.526 -4.069 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.405 12.240 -5.050 1.00 0.00 H new ATOM 0 HG2 MET A 34 6.168 13.851 -4.498 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.454 15.024 -4.701 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.818 14.003 -7.486 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.143 15.013 -6.057 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.733 15.520 -7.658 1.00 0.00 H new ATOM 555 N GLU A 35 9.015 11.222 -1.521 1.00 0.00 N ATOM 556 CA GLU A 35 9.791 10.041 -1.064 1.00 0.00 C ATOM 557 C GLU A 35 8.837 9.041 -0.425 1.00 0.00 C ATOM 558 O GLU A 35 8.706 7.922 -0.876 1.00 0.00 O ATOM 559 CB GLU A 35 10.791 10.577 -0.038 1.00 0.00 C ATOM 560 CG GLU A 35 12.190 10.592 -0.653 1.00 0.00 C ATOM 561 CD GLU A 35 13.238 10.575 0.462 1.00 0.00 C ATOM 562 OE1 GLU A 35 13.171 9.687 1.297 1.00 0.00 O ATOM 563 OE2 GLU A 35 14.088 11.448 0.462 1.00 0.00 O ATOM 0 H GLU A 35 9.054 12.037 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 35 10.306 9.532 -1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.507 11.583 0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.781 9.953 0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.322 9.728 -1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.317 11.480 -1.272 1.00 0.00 H new ATOM 570 N LEU A 36 8.144 9.437 0.606 1.00 0.00 N ATOM 571 CA LEU A 36 7.185 8.491 1.226 1.00 0.00 C ATOM 572 C LEU A 36 6.064 8.217 0.230 1.00 0.00 C ATOM 573 O LEU A 36 5.377 7.219 0.308 1.00 0.00 O ATOM 574 CB LEU A 36 6.642 9.184 2.482 1.00 0.00 C ATOM 575 CG LEU A 36 7.784 9.819 3.283 1.00 0.00 C ATOM 576 CD1 LEU A 36 7.332 10.025 4.729 1.00 0.00 C ATOM 577 CD2 LEU A 36 9.013 8.907 3.268 1.00 0.00 C ATOM 0 H LEU A 36 8.200 10.359 1.038 1.00 0.00 H new ATOM 0 HA LEU A 36 7.648 7.540 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.920 9.950 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.113 8.461 3.103 1.00 0.00 H new ATOM 0 HG LEU A 36 8.044 10.776 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.142 10.477 5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.463 10.683 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.069 9.063 5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.817 9.370 3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.758 7.945 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.341 8.755 2.240 1.00 0.00 H new ATOM 589 N ILE A 37 5.890 9.092 -0.727 1.00 0.00 N ATOM 590 CA ILE A 37 4.833 8.870 -1.743 1.00 0.00 C ATOM 591 C ILE A 37 5.355 7.884 -2.786 1.00 0.00 C ATOM 592 O ILE A 37 4.613 7.094 -3.336 1.00 0.00 O ATOM 593 CB ILE A 37 4.576 10.244 -2.360 1.00 0.00 C ATOM 594 CG1 ILE A 37 3.682 11.056 -1.422 1.00 0.00 C ATOM 595 CG2 ILE A 37 3.883 10.083 -3.713 1.00 0.00 C ATOM 596 CD1 ILE A 37 3.432 12.442 -2.019 1.00 0.00 C ATOM 0 H ILE A 37 6.435 9.946 -0.844 1.00 0.00 H new ATOM 0 HA ILE A 37 3.916 8.453 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 37 5.525 10.761 -2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.735 10.539 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.155 11.150 -0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.702 11.066 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.519 9.502 -4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.933 9.566 -3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.795 13.018 -1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.383 12.959 -2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.940 12.338 -2.986 1.00 0.00 H new ATOM 608 N ASN A 38 6.636 7.909 -3.051 1.00 0.00 N ATOM 609 CA ASN A 38 7.196 6.950 -4.044 1.00 0.00 C ATOM 610 C ASN A 38 7.644 5.684 -3.333 1.00 0.00 C ATOM 611 O ASN A 38 7.728 4.621 -3.915 1.00 0.00 O ATOM 612 CB ASN A 38 8.382 7.662 -4.696 1.00 0.00 C ATOM 613 CG ASN A 38 7.877 8.589 -5.803 1.00 0.00 C ATOM 614 OD1 ASN A 38 6.694 8.639 -6.075 1.00 0.00 O ATOM 615 ND2 ASN A 38 8.729 9.329 -6.458 1.00 0.00 N ATOM 0 H ASN A 38 7.311 8.546 -2.627 1.00 0.00 H new ATOM 0 HA ASN A 38 6.461 6.658 -4.794 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.930 8.236 -3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.076 6.930 -5.109 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.402 9.950 -7.198 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.722 9.287 -6.230 1.00 0.00 H new ATOM 622 N GLU A 39 7.910 5.790 -2.071 1.00 0.00 N ATOM 623 CA GLU A 39 8.327 4.589 -1.300 1.00 0.00 C ATOM 624 C GLU A 39 7.082 3.792 -0.941 1.00 0.00 C ATOM 625 O GLU A 39 7.116 2.592 -0.744 1.00 0.00 O ATOM 626 CB GLU A 39 9.019 5.128 -0.047 1.00 0.00 C ATOM 627 CG GLU A 39 10.415 5.637 -0.415 1.00 0.00 C ATOM 628 CD GLU A 39 11.121 6.151 0.840 1.00 0.00 C ATOM 629 OE1 GLU A 39 10.446 6.351 1.836 1.00 0.00 O ATOM 630 OE2 GLU A 39 12.326 6.336 0.784 1.00 0.00 O ATOM 0 H GLU A 39 7.858 6.656 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 39 8.996 3.931 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.429 5.934 0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.093 4.344 0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.997 4.835 -0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.339 6.434 -1.154 1.00 0.00 H new ATOM 637 N ALA A 40 5.979 4.468 -0.885 1.00 0.00 N ATOM 638 CA ALA A 40 4.691 3.797 -0.570 1.00 0.00 C ATOM 639 C ALA A 40 4.027 3.339 -1.870 1.00 0.00 C ATOM 640 O ALA A 40 3.562 2.221 -1.978 1.00 0.00 O ATOM 641 CB ALA A 40 3.849 4.863 0.127 1.00 0.00 C ATOM 0 H ALA A 40 5.910 5.473 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 40 4.814 2.915 0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.878 4.444 0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.360 5.197 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.707 5.710 -0.544 1.00 0.00 H new ATOM 647 N PHE A 41 3.987 4.189 -2.866 1.00 0.00 N ATOM 648 CA PHE A 41 3.362 3.781 -4.155 1.00 0.00 C ATOM 649 C PHE A 41 4.102 2.567 -4.720 1.00 0.00 C ATOM 650 O PHE A 41 3.531 1.741 -5.398 1.00 0.00 O ATOM 651 CB PHE A 41 3.528 4.989 -5.078 1.00 0.00 C ATOM 652 CG PHE A 41 3.271 4.569 -6.506 1.00 0.00 C ATOM 653 CD1 PHE A 41 1.971 4.601 -7.023 1.00 0.00 C ATOM 654 CD2 PHE A 41 4.335 4.147 -7.313 1.00 0.00 C ATOM 655 CE1 PHE A 41 1.734 4.211 -8.346 1.00 0.00 C ATOM 656 CE2 PHE A 41 4.098 3.757 -8.637 1.00 0.00 C ATOM 657 CZ PHE A 41 2.797 3.789 -9.153 1.00 0.00 C ATOM 0 H PHE A 41 4.357 5.139 -2.840 1.00 0.00 H new ATOM 0 HA PHE A 41 2.314 3.501 -4.044 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.835 5.779 -4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.534 5.398 -4.983 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.150 4.927 -6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.338 4.122 -6.914 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.731 4.236 -8.744 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.918 3.432 -9.260 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.613 3.488 -10.174 1.00 0.00 H new ATOM 667 N ARG A 42 5.373 2.458 -4.438 1.00 0.00 N ATOM 668 CA ARG A 42 6.160 1.302 -4.949 1.00 0.00 C ATOM 669 C ARG A 42 5.842 0.046 -4.135 1.00 0.00 C ATOM 670 O ARG A 42 5.275 -0.904 -4.637 1.00 0.00 O ATOM 671 CB ARG A 42 7.617 1.704 -4.744 1.00 0.00 C ATOM 672 CG ARG A 42 8.167 2.322 -6.029 1.00 0.00 C ATOM 673 CD ARG A 42 9.688 2.180 -6.043 1.00 0.00 C ATOM 674 NE ARG A 42 9.978 1.225 -7.148 1.00 0.00 N ATOM 675 CZ ARG A 42 10.008 1.647 -8.383 1.00 0.00 C ATOM 676 NH1 ARG A 42 10.992 2.400 -8.792 1.00 0.00 N ATOM 677 NH2 ARG A 42 9.055 1.314 -9.210 1.00 0.00 N ATOM 0 H ARG A 42 5.901 3.124 -3.873 1.00 0.00 H new ATOM 0 HA ARG A 42 5.934 1.076 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.695 2.417 -3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.209 0.832 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.735 1.827 -6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.887 3.374 -6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.172 3.141 -6.215 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.058 1.803 -5.089 1.00 0.00 H new ATOM 0 HE ARG A 42 10.153 0.242 -6.940 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.738 2.659 -8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.015 2.729 -9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.286 0.724 -8.891 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.079 1.644 -10.175 1.00 0.00 H new ATOM 691 N ALA A 43 6.206 0.040 -2.880 1.00 0.00 N ATOM 692 CA ALA A 43 5.930 -1.150 -2.022 1.00 0.00 C ATOM 693 C ALA A 43 4.544 -1.712 -2.325 1.00 0.00 C ATOM 694 O ALA A 43 4.381 -2.897 -2.521 1.00 0.00 O ATOM 695 CB ALA A 43 5.999 -0.625 -0.588 1.00 0.00 C ATOM 0 H ALA A 43 6.684 0.810 -2.411 1.00 0.00 H new ATOM 0 HA ALA A 43 6.640 -1.959 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.806 -1.441 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.990 -0.213 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.250 0.154 -0.449 1.00 0.00 H new ATOM 701 N LEU A 44 3.547 -0.875 -2.379 1.00 0.00 N ATOM 702 CA LEU A 44 2.178 -1.376 -2.681 1.00 0.00 C ATOM 703 C LEU A 44 2.144 -1.939 -4.102 1.00 0.00 C ATOM 704 O LEU A 44 1.500 -2.933 -4.372 1.00 0.00 O ATOM 705 CB LEU A 44 1.271 -0.156 -2.552 1.00 0.00 C ATOM 706 CG LEU A 44 1.119 0.206 -1.074 1.00 0.00 C ATOM 707 CD1 LEU A 44 0.710 1.674 -0.946 1.00 0.00 C ATOM 708 CD2 LEU A 44 0.045 -0.683 -0.442 1.00 0.00 C ATOM 0 H LEU A 44 3.620 0.131 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 44 1.862 -2.176 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.693 0.685 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.295 -0.366 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 44 2.068 0.051 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.602 1.931 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.475 2.306 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.239 1.833 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.065 -0.427 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.904 -0.527 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.339 -1.729 -0.532 1.00 0.00 H new ATOM 720 N HIS A 45 2.853 -1.323 -5.006 1.00 0.00 N ATOM 721 CA HIS A 45 2.885 -1.839 -6.401 1.00 0.00 C ATOM 722 C HIS A 45 3.639 -3.164 -6.411 1.00 0.00 C ATOM 723 O HIS A 45 3.326 -4.070 -7.157 1.00 0.00 O ATOM 724 CB HIS A 45 3.641 -0.780 -7.201 1.00 0.00 C ATOM 725 CG HIS A 45 3.202 -0.829 -8.638 1.00 0.00 C ATOM 726 ND1 HIS A 45 2.328 -1.654 -9.301 1.00 0.00 N flip ATOM 727 CD2 HIS A 45 3.686 0.055 -9.589 1.00 0.00 C flip ATOM 728 CE1 HIS A 45 2.268 -1.290 -10.643 1.00 0.00 C flip ATOM 729 NE2 HIS A 45 3.105 -0.256 -10.762 1.00 0.00 N flip ATOM 0 H HIS A 45 3.411 -0.486 -4.839 1.00 0.00 H new ATOM 0 HA HIS A 45 1.893 -2.014 -6.818 1.00 0.00 H new ATOM 0 HB2 HIS A 45 3.451 0.210 -6.785 1.00 0.00 H new ATOM 0 HB3 HIS A 45 4.715 -0.954 -7.132 1.00 0.00 H new ATOM 0 HD2 HIS A 45 4.399 0.848 -9.420 1.00 0.00 H new ATOM 0 HE1 HIS A 45 1.673 -1.746 -11.421 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.282 0.238 -11.636 1.00 0.00 H new ATOM 737 N THR A 46 4.620 -3.284 -5.562 1.00 0.00 N ATOM 738 CA THR A 46 5.390 -4.551 -5.484 1.00 0.00 C ATOM 739 C THR A 46 4.588 -5.551 -4.649 1.00 0.00 C ATOM 740 O THR A 46 4.580 -6.737 -4.910 1.00 0.00 O ATOM 741 CB THR A 46 6.718 -4.157 -4.811 1.00 0.00 C ATOM 742 OG1 THR A 46 7.737 -4.080 -5.798 1.00 0.00 O ATOM 743 CG2 THR A 46 7.121 -5.187 -3.750 1.00 0.00 C ATOM 0 H THR A 46 4.922 -2.554 -4.916 1.00 0.00 H new ATOM 0 HA THR A 46 5.577 -5.023 -6.448 1.00 0.00 H new ATOM 0 HB THR A 46 6.588 -3.190 -4.325 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.584 -3.828 -5.375 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.062 -4.886 -3.290 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.345 -5.245 -2.986 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.243 -6.164 -4.219 1.00 0.00 H new ATOM 751 N LEU A 47 3.898 -5.069 -3.652 1.00 0.00 N ATOM 752 CA LEU A 47 3.079 -5.974 -2.804 1.00 0.00 C ATOM 753 C LEU A 47 1.832 -6.406 -3.582 1.00 0.00 C ATOM 754 O LEU A 47 1.325 -7.497 -3.407 1.00 0.00 O ATOM 755 CB LEU A 47 2.700 -5.133 -1.583 1.00 0.00 C ATOM 756 CG LEU A 47 3.561 -5.552 -0.390 1.00 0.00 C ATOM 757 CD1 LEU A 47 3.143 -4.753 0.846 1.00 0.00 C ATOM 758 CD2 LEU A 47 3.367 -7.045 -0.121 1.00 0.00 C ATOM 0 H LEU A 47 3.867 -4.084 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 47 3.608 -6.882 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.847 -4.074 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.644 -5.268 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 47 4.610 -5.356 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.756 -5.051 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.280 -3.689 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.094 -4.949 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.980 -7.344 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.318 -7.241 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.664 -7.615 -1.001 1.00 0.00 H new ATOM 770 N LYS A 48 1.345 -5.562 -4.453 1.00 0.00 N ATOM 771 CA LYS A 48 0.148 -5.921 -5.258 1.00 0.00 C ATOM 772 C LYS A 48 0.506 -7.048 -6.232 1.00 0.00 C ATOM 773 O LYS A 48 -0.238 -7.989 -6.413 1.00 0.00 O ATOM 774 CB LYS A 48 -0.190 -4.641 -6.017 1.00 0.00 C ATOM 775 CG LYS A 48 -1.237 -4.928 -7.090 1.00 0.00 C ATOM 776 CD LYS A 48 -1.068 -3.918 -8.218 1.00 0.00 C ATOM 777 CE LYS A 48 0.071 -4.365 -9.132 1.00 0.00 C ATOM 778 NZ LYS A 48 -0.529 -5.403 -10.014 1.00 0.00 N ATOM 0 H LYS A 48 1.729 -4.636 -4.640 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.688 -6.273 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.565 -3.887 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.710 -4.233 -6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.120 -5.943 -7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.240 -4.859 -6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.994 -3.833 -8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.854 -2.931 -7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.461 -3.530 -9.714 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.904 -4.769 -8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.108 -6.223 -10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.446 -5.702 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.669 -5.010 -10.967 1.00 0.00 H new ATOM 792 N GLY A 49 1.646 -6.953 -6.861 1.00 0.00 N ATOM 793 CA GLY A 49 2.058 -8.013 -7.824 1.00 0.00 C ATOM 794 C GLY A 49 2.227 -9.344 -7.087 1.00 0.00 C ATOM 795 O GLY A 49 1.772 -10.376 -7.539 1.00 0.00 O ATOM 0 H GLY A 49 2.310 -6.187 -6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.310 -8.114 -8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.993 -7.734 -8.309 1.00 0.00 H new ATOM 799 N MET A 50 2.883 -9.330 -5.960 1.00 0.00 N ATOM 800 CA MET A 50 3.086 -10.598 -5.197 1.00 0.00 C ATOM 801 C MET A 50 1.741 -11.159 -4.723 1.00 0.00 C ATOM 802 O MET A 50 1.594 -12.346 -4.515 1.00 0.00 O ATOM 803 CB MET A 50 3.950 -10.204 -3.997 1.00 0.00 C ATOM 804 CG MET A 50 5.366 -9.869 -4.469 1.00 0.00 C ATOM 805 SD MET A 50 6.526 -10.069 -3.095 1.00 0.00 S ATOM 806 CE MET A 50 5.657 -9.019 -1.902 1.00 0.00 C ATOM 0 H MET A 50 3.288 -8.497 -5.533 1.00 0.00 H new ATOM 0 HA MET A 50 3.555 -11.371 -5.806 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.513 -9.345 -3.489 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.980 -11.020 -3.275 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.649 -10.521 -5.295 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.403 -8.846 -4.844 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.299 -8.841 -1.039 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.406 -8.067 -2.370 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.743 -9.516 -1.578 1.00 0.00 H new ATOM 816 N ALA A 51 0.762 -10.314 -4.548 1.00 0.00 N ATOM 817 CA ALA A 51 -0.568 -10.804 -4.086 1.00 0.00 C ATOM 818 C ALA A 51 -1.448 -11.154 -5.285 1.00 0.00 C ATOM 819 O ALA A 51 -2.490 -11.764 -5.146 1.00 0.00 O ATOM 820 CB ALA A 51 -1.172 -9.635 -3.307 1.00 0.00 C ATOM 0 H ALA A 51 0.825 -9.308 -4.704 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.486 -11.704 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.156 -9.917 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.523 -9.383 -2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.268 -8.771 -3.964 1.00 0.00 H new ATOM 826 N GLY A 52 -1.041 -10.768 -6.460 1.00 0.00 N ATOM 827 CA GLY A 52 -1.860 -11.073 -7.663 1.00 0.00 C ATOM 828 C GLY A 52 -1.479 -12.448 -8.211 1.00 0.00 C ATOM 829 O GLY A 52 -1.373 -12.644 -9.406 1.00 0.00 O ATOM 0 H GLY A 52 -0.178 -10.255 -6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.920 -11.053 -7.408 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.702 -10.310 -8.425 1.00 0.00 H new ATOM 871 N PHE A 56 -3.458 -13.781 -3.852 1.00 0.00 N ATOM 872 CA PHE A 56 -4.845 -13.631 -4.378 1.00 0.00 C ATOM 873 C PHE A 56 -5.078 -12.186 -4.811 1.00 0.00 C ATOM 874 O PHE A 56 -4.880 -11.259 -4.051 1.00 0.00 O ATOM 875 CB PHE A 56 -5.770 -13.996 -3.213 1.00 0.00 C ATOM 876 CG PHE A 56 -6.787 -15.014 -3.671 1.00 0.00 C ATOM 877 CD1 PHE A 56 -6.377 -16.130 -4.408 1.00 0.00 C ATOM 878 CD2 PHE A 56 -8.140 -14.842 -3.354 1.00 0.00 C ATOM 879 CE1 PHE A 56 -7.321 -17.074 -4.831 1.00 0.00 C ATOM 880 CE2 PHE A 56 -9.084 -15.787 -3.775 1.00 0.00 C ATOM 881 CZ PHE A 56 -8.674 -16.903 -4.514 1.00 0.00 C ATOM 0 HA PHE A 56 -5.027 -14.266 -5.245 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.186 -14.398 -2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.275 -13.104 -2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.333 -16.264 -4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.456 -13.980 -2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.005 -17.934 -5.402 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -10.127 -15.655 -3.530 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.401 -17.632 -4.840 1.00 0.00 H new ATOM 891 N SER A 57 -5.492 -11.985 -6.029 1.00 0.00 N ATOM 892 CA SER A 57 -5.733 -10.599 -6.518 1.00 0.00 C ATOM 893 C SER A 57 -6.819 -9.921 -5.687 1.00 0.00 C ATOM 894 O SER A 57 -7.024 -8.727 -5.767 1.00 0.00 O ATOM 895 CB SER A 57 -6.183 -10.757 -7.968 1.00 0.00 C ATOM 896 OG SER A 57 -5.483 -11.843 -8.562 1.00 0.00 O ATOM 0 H SER A 57 -5.675 -12.722 -6.710 1.00 0.00 H new ATOM 0 HA SER A 57 -4.842 -9.977 -6.437 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.257 -10.936 -8.010 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.991 -9.839 -8.523 1.00 0.00 H new ATOM 0 HG SER A 57 -5.771 -11.948 -9.493 1.00 0.00 H new ATOM 902 N SER A 58 -7.503 -10.671 -4.879 1.00 0.00 N ATOM 903 CA SER A 58 -8.562 -10.065 -4.029 1.00 0.00 C ATOM 904 C SER A 58 -7.902 -9.115 -3.038 1.00 0.00 C ATOM 905 O SER A 58 -8.460 -8.108 -2.648 1.00 0.00 O ATOM 906 CB SER A 58 -9.223 -11.238 -3.305 1.00 0.00 C ATOM 907 OG SER A 58 -10.121 -11.891 -4.192 1.00 0.00 O ATOM 0 H SER A 58 -7.377 -11.677 -4.768 1.00 0.00 H new ATOM 0 HA SER A 58 -9.297 -9.497 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.465 -11.939 -2.956 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.758 -10.882 -2.424 1.00 0.00 H new ATOM 0 HG SER A 58 -10.545 -12.645 -3.732 1.00 0.00 H new ATOM 913 N MET A 59 -6.698 -9.427 -2.650 1.00 0.00 N ATOM 914 CA MET A 59 -5.964 -8.550 -1.704 1.00 0.00 C ATOM 915 C MET A 59 -4.931 -7.735 -2.481 1.00 0.00 C ATOM 916 O MET A 59 -4.400 -6.754 -1.996 1.00 0.00 O ATOM 917 CB MET A 59 -5.283 -9.505 -0.721 1.00 0.00 C ATOM 918 CG MET A 59 -4.396 -8.711 0.240 1.00 0.00 C ATOM 919 SD MET A 59 -3.083 -9.781 0.873 1.00 0.00 S ATOM 920 CE MET A 59 -2.392 -10.252 -0.730 1.00 0.00 C ATOM 0 H MET A 59 -6.189 -10.258 -2.951 1.00 0.00 H new ATOM 0 HA MET A 59 -6.612 -7.845 -1.183 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.034 -10.062 -0.161 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.684 -10.235 -1.265 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.964 -7.852 -0.273 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.993 -8.322 1.065 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.307 -10.325 -0.651 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.800 -11.216 -1.033 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.652 -9.499 -1.474 1.00 0.00 H new ATOM 930 N ALA A 60 -4.653 -8.131 -3.694 1.00 0.00 N ATOM 931 CA ALA A 60 -3.667 -7.379 -4.518 1.00 0.00 C ATOM 932 C ALA A 60 -4.330 -6.130 -5.089 1.00 0.00 C ATOM 933 O ALA A 60 -3.716 -5.089 -5.207 1.00 0.00 O ATOM 934 CB ALA A 60 -3.267 -8.341 -5.634 1.00 0.00 C ATOM 0 H ALA A 60 -5.068 -8.944 -4.149 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.800 -7.051 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.539 -7.859 -6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.826 -9.239 -5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.149 -8.614 -6.213 1.00 0.00 H new ATOM 940 N LYS A 61 -5.590 -6.213 -5.417 1.00 0.00 N ATOM 941 CA LYS A 61 -6.285 -5.014 -5.942 1.00 0.00 C ATOM 942 C LYS A 61 -6.158 -3.930 -4.894 1.00 0.00 C ATOM 943 O LYS A 61 -5.912 -2.774 -5.179 1.00 0.00 O ATOM 944 CB LYS A 61 -7.741 -5.439 -6.104 1.00 0.00 C ATOM 945 CG LYS A 61 -8.028 -5.703 -7.576 1.00 0.00 C ATOM 946 CD LYS A 61 -7.414 -7.044 -7.983 1.00 0.00 C ATOM 947 CE LYS A 61 -8.463 -8.149 -7.843 1.00 0.00 C ATOM 948 NZ LYS A 61 -9.319 -8.026 -9.057 1.00 0.00 N ATOM 0 H LYS A 61 -6.161 -7.055 -5.343 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.883 -4.642 -6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.937 -6.336 -5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.403 -4.660 -5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.104 -5.715 -7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.615 -4.901 -8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.057 -6.995 -9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.551 -7.266 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.995 -9.132 -7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.049 -8.023 -6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.723 -8.955 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.088 -7.351 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.744 -7.686 -9.854 1.00 0.00 H new ATOM 962 N LEU A 62 -6.293 -4.327 -3.669 1.00 0.00 N ATOM 963 CA LEU A 62 -6.151 -3.371 -2.552 1.00 0.00 C ATOM 964 C LEU A 62 -4.744 -2.789 -2.592 1.00 0.00 C ATOM 965 O LEU A 62 -4.534 -1.615 -2.371 1.00 0.00 O ATOM 966 CB LEU A 62 -6.339 -4.211 -1.291 1.00 0.00 C ATOM 967 CG LEU A 62 -7.784 -4.704 -1.217 1.00 0.00 C ATOM 968 CD1 LEU A 62 -7.989 -5.499 0.073 1.00 0.00 C ATOM 969 CD2 LEU A 62 -8.732 -3.502 -1.229 1.00 0.00 C ATOM 0 H LEU A 62 -6.499 -5.287 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.863 -2.547 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.654 -5.059 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.100 -3.619 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.993 -5.344 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.020 -5.850 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.314 -6.354 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.780 -4.860 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.763 -3.851 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.521 -2.864 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.588 -2.934 -2.148 1.00 0.00 H new ATOM 981 N CYS A 63 -3.778 -3.611 -2.896 1.00 0.00 N ATOM 982 CA CYS A 63 -2.382 -3.119 -2.969 1.00 0.00 C ATOM 983 C CYS A 63 -2.276 -2.112 -4.109 1.00 0.00 C ATOM 984 O CYS A 63 -1.573 -1.124 -4.024 1.00 0.00 O ATOM 985 CB CYS A 63 -1.533 -4.360 -3.244 1.00 0.00 C ATOM 986 SG CYS A 63 -1.749 -5.547 -1.895 1.00 0.00 S ATOM 0 H CYS A 63 -3.900 -4.604 -3.097 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.053 -2.618 -2.059 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.826 -4.812 -4.191 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.483 -4.083 -3.335 1.00 0.00 H new ATOM 0 HG CYS A 63 -3.006 -5.861 -1.790 1.00 0.00 H new ATOM 992 N HIS A 64 -2.999 -2.344 -5.168 1.00 0.00 N ATOM 993 CA HIS A 64 -2.974 -1.390 -6.307 1.00 0.00 C ATOM 994 C HIS A 64 -3.822 -0.176 -5.942 1.00 0.00 C ATOM 995 O HIS A 64 -3.502 0.951 -6.262 1.00 0.00 O ATOM 996 CB HIS A 64 -3.602 -2.143 -7.479 1.00 0.00 C ATOM 997 CG HIS A 64 -3.365 -1.378 -8.754 1.00 0.00 C ATOM 998 ND1 HIS A 64 -2.239 -1.191 -9.519 1.00 0.00 N flip ATOM 999 CD2 HIS A 64 -4.376 -0.677 -9.392 1.00 0.00 C flip ATOM 1000 CE1 HIS A 64 -2.545 -0.389 -10.614 1.00 0.00 C flip ATOM 1001 NE2 HIS A 64 -3.845 -0.107 -10.489 1.00 0.00 N flip ATOM 0 H HIS A 64 -3.606 -3.154 -5.293 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.970 -1.044 -6.551 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.171 -3.141 -7.556 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.672 -2.270 -7.312 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.403 -0.602 -9.068 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.876 -0.064 -11.397 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.371 0.470 -11.145 1.00 0.00 H new ATOM 1009 N THR A 65 -4.903 -0.416 -5.257 1.00 0.00 N ATOM 1010 CA THR A 65 -5.798 0.694 -4.840 1.00 0.00 C ATOM 1011 C THR A 65 -5.019 1.693 -3.976 1.00 0.00 C ATOM 1012 O THR A 65 -4.817 2.829 -4.353 1.00 0.00 O ATOM 1013 CB THR A 65 -6.896 -0.008 -4.036 1.00 0.00 C ATOM 1014 OG1 THR A 65 -7.911 -0.455 -4.922 1.00 0.00 O ATOM 1015 CG2 THR A 65 -7.497 0.950 -3.012 1.00 0.00 C ATOM 0 H THR A 65 -5.207 -1.345 -4.965 1.00 0.00 H new ATOM 0 HA THR A 65 -6.204 1.266 -5.674 1.00 0.00 H new ATOM 0 HB THR A 65 -6.464 -0.859 -3.509 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.666 -1.332 -5.284 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.276 0.438 -2.448 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.718 1.289 -2.329 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.927 1.809 -3.526 1.00 0.00 H new ATOM 1023 N LEU A 66 -4.566 1.270 -2.827 1.00 0.00 N ATOM 1024 CA LEU A 66 -3.787 2.177 -1.949 1.00 0.00 C ATOM 1025 C LEU A 66 -2.720 2.878 -2.785 1.00 0.00 C ATOM 1026 O LEU A 66 -2.563 4.080 -2.743 1.00 0.00 O ATOM 1027 CB LEU A 66 -3.134 1.241 -0.934 1.00 0.00 C ATOM 1028 CG LEU A 66 -4.098 0.987 0.224 1.00 0.00 C ATOM 1029 CD1 LEU A 66 -5.098 -0.104 -0.155 1.00 0.00 C ATOM 1030 CD2 LEU A 66 -3.302 0.540 1.451 1.00 0.00 C ATOM 0 H LEU A 66 -4.705 0.328 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.392 2.947 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.868 0.298 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.209 1.681 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.641 1.905 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.780 -0.277 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.666 0.211 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.562 -1.026 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.985 0.357 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.760 -0.376 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.594 1.320 1.729 1.00 0.00 H new ATOM 1042 N GLU A 67 -1.998 2.111 -3.555 1.00 0.00 N ATOM 1043 CA GLU A 67 -0.929 2.674 -4.422 1.00 0.00 C ATOM 1044 C GLU A 67 -1.529 3.629 -5.446 1.00 0.00 C ATOM 1045 O GLU A 67 -0.886 4.559 -5.892 1.00 0.00 O ATOM 1046 CB GLU A 67 -0.327 1.441 -5.099 1.00 0.00 C ATOM 1047 CG GLU A 67 0.296 1.815 -6.448 1.00 0.00 C ATOM 1048 CD GLU A 67 -0.624 1.350 -7.579 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -1.596 2.036 -7.846 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -0.339 0.315 -8.158 1.00 0.00 O ATOM 0 H GLU A 67 -2.108 1.099 -3.620 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.185 3.251 -3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.431 0.999 -4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.100 0.687 -5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.445 2.893 -6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.277 1.352 -6.549 1.00 0.00 H new ATOM 1057 N ASN A 68 -2.753 3.420 -5.817 1.00 0.00 N ATOM 1058 CA ASN A 68 -3.374 4.332 -6.801 1.00 0.00 C ATOM 1059 C ASN A 68 -3.426 5.720 -6.197 1.00 0.00 C ATOM 1060 O ASN A 68 -3.095 6.704 -6.828 1.00 0.00 O ATOM 1061 CB ASN A 68 -4.784 3.806 -6.995 1.00 0.00 C ATOM 1062 CG ASN A 68 -5.094 3.682 -8.487 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -5.807 4.494 -9.042 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -4.587 2.690 -9.166 1.00 0.00 N ATOM 0 H ASN A 68 -3.347 2.661 -5.483 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.827 4.379 -7.743 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.889 2.835 -6.511 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.500 4.477 -6.521 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.789 2.597 -10.161 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.988 2.007 -8.701 1.00 0.00 H new ATOM 1071 N ILE A 69 -3.814 5.795 -4.958 1.00 0.00 N ATOM 1072 CA ILE A 69 -3.870 7.114 -4.288 1.00 0.00 C ATOM 1073 C ILE A 69 -2.466 7.662 -4.237 1.00 0.00 C ATOM 1074 O ILE A 69 -2.216 8.832 -4.447 1.00 0.00 O ATOM 1075 CB ILE A 69 -4.411 6.837 -2.891 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -5.912 6.568 -2.985 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -4.171 8.061 -2.006 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -6.168 5.234 -3.687 1.00 0.00 C ATOM 0 H ILE A 69 -4.094 5.000 -4.383 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.500 7.842 -4.799 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.906 5.972 -2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.349 6.551 -1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.400 7.375 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.557 7.867 -1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.102 8.265 -1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.683 8.924 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.241 5.055 -3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.748 5.266 -4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.697 4.429 -3.122 1.00 0.00 H new ATOM 1090 N LEU A 70 -1.549 6.790 -4.011 1.00 0.00 N ATOM 1091 CA LEU A 70 -0.122 7.205 -3.994 1.00 0.00 C ATOM 1092 C LEU A 70 0.267 7.594 -5.406 1.00 0.00 C ATOM 1093 O LEU A 70 1.222 8.308 -5.636 1.00 0.00 O ATOM 1094 CB LEU A 70 0.675 5.992 -3.503 1.00 0.00 C ATOM 1095 CG LEU A 70 0.090 5.460 -2.185 1.00 0.00 C ATOM 1096 CD1 LEU A 70 1.203 4.829 -1.354 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -0.545 6.599 -1.376 1.00 0.00 C ATOM 0 H LEU A 70 -1.717 5.799 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 70 0.070 8.057 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.656 5.207 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.719 6.270 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.674 4.719 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.789 4.451 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.651 4.006 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.965 5.578 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.953 6.202 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.212 7.349 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.345 7.056 -1.958 1.00 0.00 H new ATOM 1109 N ASP A 71 -0.506 7.158 -6.355 1.00 0.00 N ATOM 1110 CA ASP A 71 -0.224 7.537 -7.758 1.00 0.00 C ATOM 1111 C ASP A 71 -0.741 8.954 -7.974 1.00 0.00 C ATOM 1112 O ASP A 71 -0.021 9.826 -8.419 1.00 0.00 O ATOM 1113 CB ASP A 71 -0.982 6.528 -8.621 1.00 0.00 C ATOM 1114 CG ASP A 71 -0.260 6.355 -9.959 1.00 0.00 C ATOM 1115 OD1 ASP A 71 0.936 6.119 -9.939 1.00 0.00 O ATOM 1116 OD2 ASP A 71 -0.917 6.462 -10.982 1.00 0.00 O ATOM 0 H ASP A 71 -1.319 6.557 -6.219 1.00 0.00 H new ATOM 0 HA ASP A 71 0.837 7.523 -8.008 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.048 5.570 -8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.003 6.871 -8.788 1.00 0.00 H new ATOM 1121 N LYS A 72 -1.973 9.211 -7.623 1.00 0.00 N ATOM 1122 CA LYS A 72 -2.494 10.586 -7.772 1.00 0.00 C ATOM 1123 C LYS A 72 -1.685 11.502 -6.869 1.00 0.00 C ATOM 1124 O LYS A 72 -1.523 12.680 -7.121 1.00 0.00 O ATOM 1125 CB LYS A 72 -3.930 10.494 -7.303 1.00 0.00 C ATOM 1126 CG LYS A 72 -4.785 9.866 -8.387 1.00 0.00 C ATOM 1127 CD LYS A 72 -5.845 9.034 -7.697 1.00 0.00 C ATOM 1128 CE LYS A 72 -5.354 7.600 -7.551 1.00 0.00 C ATOM 1129 NZ LYS A 72 -6.541 6.751 -7.847 1.00 0.00 N ATOM 0 H LYS A 72 -2.631 8.530 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.429 10.978 -8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.987 9.899 -6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.307 11.487 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.244 10.635 -9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.177 9.245 -9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.070 9.454 -6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.770 9.055 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.538 7.391 -8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.977 7.413 -6.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.260 5.965 -8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.926 6.370 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.268 7.324 -8.322 1.00 0.00 H new ATOM 1143 N ALA A 73 -1.157 10.940 -5.826 1.00 0.00 N ATOM 1144 CA ALA A 73 -0.321 11.728 -4.887 1.00 0.00 C ATOM 1145 C ALA A 73 0.923 12.197 -5.630 1.00 0.00 C ATOM 1146 O ALA A 73 1.378 13.312 -5.471 1.00 0.00 O ATOM 1147 CB ALA A 73 0.054 10.746 -3.778 1.00 0.00 C ATOM 0 H ALA A 73 -1.270 9.957 -5.580 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.827 12.606 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.675 11.252 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.852 10.376 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.607 9.909 -4.205 1.00 0.00 H new ATOM 1153 N ARG A 74 1.462 11.348 -6.461 1.00 0.00 N ATOM 1154 CA ARG A 74 2.665 11.737 -7.242 1.00 0.00 C ATOM 1155 C ARG A 74 2.227 12.350 -8.572 1.00 0.00 C ATOM 1156 O ARG A 74 3.001 12.978 -9.266 1.00 0.00 O ATOM 1157 CB ARG A 74 3.444 10.441 -7.470 1.00 0.00 C ATOM 1158 CG ARG A 74 2.610 9.482 -8.322 1.00 0.00 C ATOM 1159 CD ARG A 74 3.502 8.345 -8.828 1.00 0.00 C ATOM 1160 NE ARG A 74 3.724 8.642 -10.271 1.00 0.00 N ATOM 1161 CZ ARG A 74 4.921 8.537 -10.784 1.00 0.00 C ATOM 1162 NH1 ARG A 74 5.577 7.414 -10.684 1.00 0.00 N ATOM 1163 NH2 ARG A 74 5.459 9.555 -11.398 1.00 0.00 N ATOM 0 H ARG A 74 1.120 10.402 -6.632 1.00 0.00 H new ATOM 0 HA ARG A 74 3.278 12.477 -6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.390 10.656 -7.967 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.685 9.977 -6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.786 9.078 -7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.169 10.016 -9.164 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.445 8.311 -8.283 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.021 7.376 -8.694 1.00 0.00 H new ATOM 0 HE ARG A 74 2.941 8.928 -10.859 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.155 6.618 -10.205 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.511 7.332 -11.084 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.945 10.432 -11.477 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.393 9.473 -11.799 1.00 0.00 H new ATOM 1177 N ASN A 75 0.981 12.174 -8.927 1.00 0.00 N ATOM 1178 CA ASN A 75 0.484 12.752 -10.209 1.00 0.00 C ATOM 1179 C ASN A 75 -0.218 14.086 -9.940 1.00 0.00 C ATOM 1180 O ASN A 75 -0.688 14.745 -10.846 1.00 0.00 O ATOM 1181 CB ASN A 75 -0.505 11.722 -10.755 1.00 0.00 C ATOM 1182 CG ASN A 75 -1.085 12.223 -12.077 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -2.262 12.510 -12.169 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -0.302 12.340 -13.114 1.00 0.00 N ATOM 0 H ASN A 75 0.288 11.656 -8.386 1.00 0.00 H new ATOM 0 HA ASN A 75 1.289 12.950 -10.916 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.005 10.765 -10.905 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.306 11.554 -10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.678 12.672 -14.002 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.686 12.099 -13.037 1.00 0.00 H new ATOM 1191 N SER A 76 -0.289 14.481 -8.694 1.00 0.00 N ATOM 1192 CA SER A 76 -0.952 15.770 -8.332 1.00 0.00 C ATOM 1193 C SER A 76 -2.471 15.625 -8.404 1.00 0.00 C ATOM 1194 O SER A 76 -3.169 16.528 -8.821 1.00 0.00 O ATOM 1195 CB SER A 76 -0.460 16.795 -9.355 1.00 0.00 C ATOM 1196 OG SER A 76 -0.527 18.096 -8.785 1.00 0.00 O ATOM 0 H SER A 76 0.089 13.959 -7.903 1.00 0.00 H new ATOM 0 HA SER A 76 -0.709 16.075 -7.314 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.564 16.567 -9.652 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.071 16.748 -10.257 1.00 0.00 H new ATOM 0 HG SER A 76 -0.211 18.756 -9.437 1.00 0.00 H new ATOM 1202 N GLU A 77 -2.996 14.499 -7.999 1.00 0.00 N ATOM 1203 CA GLU A 77 -4.466 14.318 -8.046 1.00 0.00 C ATOM 1204 C GLU A 77 -5.015 14.168 -6.629 1.00 0.00 C ATOM 1205 O GLU A 77 -6.038 14.726 -6.285 1.00 0.00 O ATOM 1206 CB GLU A 77 -4.673 13.065 -8.893 1.00 0.00 C ATOM 1207 CG GLU A 77 -4.522 13.434 -10.368 1.00 0.00 C ATOM 1208 CD GLU A 77 -5.509 14.548 -10.721 1.00 0.00 C ATOM 1209 OE1 GLU A 77 -5.158 15.702 -10.540 1.00 0.00 O ATOM 1210 OE2 GLU A 77 -6.599 14.228 -11.164 1.00 0.00 O ATOM 0 H GLU A 77 -2.469 13.703 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.996 15.167 -8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.946 12.301 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.662 12.645 -8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.502 13.761 -10.569 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.706 12.560 -10.993 1.00 0.00 H new ATOM 1217 N ILE A 78 -4.323 13.455 -5.797 1.00 0.00 N ATOM 1218 CA ILE A 78 -4.785 13.307 -4.382 1.00 0.00 C ATOM 1219 C ILE A 78 -3.640 13.617 -3.419 1.00 0.00 C ATOM 1220 O ILE A 78 -2.507 13.793 -3.817 1.00 0.00 O ATOM 1221 CB ILE A 78 -5.211 11.851 -4.212 1.00 0.00 C ATOM 1222 CG1 ILE A 78 -3.995 10.943 -4.384 1.00 0.00 C ATOM 1223 CG2 ILE A 78 -6.279 11.498 -5.247 1.00 0.00 C ATOM 1224 CD1 ILE A 78 -3.188 10.902 -3.091 1.00 0.00 C ATOM 0 H ILE A 78 -3.458 12.966 -6.027 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.605 13.993 -4.167 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.628 11.709 -3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.317 9.937 -4.653 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.371 11.307 -5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.579 10.458 -5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.146 12.145 -5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.875 11.640 -6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.323 10.252 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.852 11.908 -2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.812 10.516 -2.285 1.00 0.00 H new ATOM 1236 N LYS A 79 -3.935 13.661 -2.151 1.00 0.00 N ATOM 1237 CA LYS A 79 -2.887 13.932 -1.135 1.00 0.00 C ATOM 1238 C LYS A 79 -3.301 13.301 0.196 1.00 0.00 C ATOM 1239 O LYS A 79 -4.469 13.257 0.526 1.00 0.00 O ATOM 1240 CB LYS A 79 -2.838 15.454 -1.018 1.00 0.00 C ATOM 1241 CG LYS A 79 -2.170 16.038 -2.264 1.00 0.00 C ATOM 1242 CD LYS A 79 -0.737 15.494 -2.417 1.00 0.00 C ATOM 1243 CE LYS A 79 -0.113 15.218 -1.042 1.00 0.00 C ATOM 1244 NZ LYS A 79 0.043 16.558 -0.410 1.00 0.00 N ATOM 0 H LYS A 79 -4.871 13.518 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.915 13.519 -1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.846 15.854 -0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.284 15.743 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.756 15.788 -3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.146 17.126 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.752 14.577 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.126 16.213 -2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.753 14.571 -0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.848 14.714 -1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.045 16.722 -0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.290 17.292 -1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.517 16.596 0.465 1.00 0.00 H new ATOM 1258 N ILE A 80 -2.370 12.802 0.965 1.00 0.00 N ATOM 1259 CA ILE A 80 -2.756 12.176 2.259 1.00 0.00 C ATOM 1260 C ILE A 80 -3.434 13.194 3.157 1.00 0.00 C ATOM 1261 O ILE A 80 -2.809 13.953 3.872 1.00 0.00 O ATOM 1262 CB ILE A 80 -1.462 11.677 2.873 1.00 0.00 C ATOM 1263 CG1 ILE A 80 -1.135 10.316 2.273 1.00 0.00 C ATOM 1264 CG2 ILE A 80 -1.607 11.538 4.392 1.00 0.00 C ATOM 1265 CD1 ILE A 80 -1.091 10.427 0.749 1.00 0.00 C ATOM 0 H ILE A 80 -1.372 12.801 0.755 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.467 11.361 2.123 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.665 12.390 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.176 9.962 2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.885 9.585 2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.669 11.179 4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.853 12.508 4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.403 10.828 4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.857 9.453 0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.060 10.762 0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.324 11.145 0.458 1.00 0.00 H new ATOM 1277 N THR A 81 -4.715 13.180 3.126 1.00 0.00 N ATOM 1278 CA THR A 81 -5.511 14.101 3.976 1.00 0.00 C ATOM 1279 C THR A 81 -5.887 13.368 5.257 1.00 0.00 C ATOM 1280 O THR A 81 -6.927 13.605 5.839 1.00 0.00 O ATOM 1281 CB THR A 81 -6.764 14.399 3.154 1.00 0.00 C ATOM 1282 OG1 THR A 81 -7.608 13.257 3.156 1.00 0.00 O ATOM 1283 CG2 THR A 81 -6.365 14.735 1.718 1.00 0.00 C ATOM 0 H THR A 81 -5.269 12.558 2.537 1.00 0.00 H new ATOM 0 HA THR A 81 -4.978 15.012 4.247 1.00 0.00 H new ATOM 0 HB THR A 81 -7.293 15.246 3.590 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.414 13.445 2.631 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.259 14.947 1.132 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.714 15.609 1.716 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.837 13.888 1.280 1.00 0.00 H new ATOM 1291 N SER A 82 -5.064 12.445 5.678 1.00 0.00 N ATOM 1292 CA SER A 82 -5.386 11.651 6.896 1.00 0.00 C ATOM 1293 C SER A 82 -6.526 10.685 6.561 1.00 0.00 C ATOM 1294 O SER A 82 -6.404 9.487 6.718 1.00 0.00 O ATOM 1295 CB SER A 82 -5.818 12.664 7.955 1.00 0.00 C ATOM 1296 OG SER A 82 -5.216 13.922 7.677 1.00 0.00 O ATOM 0 H SER A 82 -4.180 12.207 5.228 1.00 0.00 H new ATOM 0 HA SER A 82 -4.541 11.062 7.254 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.904 12.761 7.960 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.524 12.319 8.946 1.00 0.00 H new ATOM 0 HG SER A 82 -5.493 14.574 8.354 1.00 0.00 H new ATOM 1302 N ASP A 83 -7.626 11.199 6.077 1.00 0.00 N ATOM 1303 CA ASP A 83 -8.767 10.319 5.705 1.00 0.00 C ATOM 1304 C ASP A 83 -8.399 9.476 4.484 1.00 0.00 C ATOM 1305 O ASP A 83 -8.757 8.319 4.393 1.00 0.00 O ATOM 1306 CB ASP A 83 -9.901 11.277 5.361 1.00 0.00 C ATOM 1307 CG ASP A 83 -10.783 11.494 6.591 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -10.344 12.186 7.495 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -11.882 10.963 6.609 1.00 0.00 O ATOM 0 H ASP A 83 -7.782 12.195 5.924 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.039 9.629 6.504 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.495 12.229 5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.496 10.873 4.542 1.00 0.00 H new ATOM 1314 N LEU A 84 -7.667 10.034 3.553 1.00 0.00 N ATOM 1315 CA LEU A 84 -7.271 9.234 2.369 1.00 0.00 C ATOM 1316 C LEU A 84 -6.445 8.064 2.870 1.00 0.00 C ATOM 1317 O LEU A 84 -6.436 6.989 2.301 1.00 0.00 O ATOM 1318 CB LEU A 84 -6.436 10.182 1.510 1.00 0.00 C ATOM 1319 CG LEU A 84 -5.783 9.392 0.383 1.00 0.00 C ATOM 1320 CD1 LEU A 84 -6.855 8.611 -0.381 1.00 0.00 C ATOM 1321 CD2 LEU A 84 -5.074 10.352 -0.572 1.00 0.00 C ATOM 0 H LEU A 84 -7.333 10.998 3.566 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.108 8.839 1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.066 10.971 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.674 10.668 2.119 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.056 8.697 0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.388 8.046 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.359 7.924 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.583 9.306 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.607 9.785 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.799 11.049 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.309 10.907 -0.029 1.00 0.00 H new ATOM 1333 N LEU A 85 -5.782 8.270 3.967 1.00 0.00 N ATOM 1334 CA LEU A 85 -4.975 7.180 4.572 1.00 0.00 C ATOM 1335 C LEU A 85 -5.909 6.254 5.340 1.00 0.00 C ATOM 1336 O LEU A 85 -5.848 5.050 5.230 1.00 0.00 O ATOM 1337 CB LEU A 85 -4.026 7.880 5.539 1.00 0.00 C ATOM 1338 CG LEU A 85 -2.907 8.556 4.761 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.850 9.068 5.742 1.00 0.00 C ATOM 1340 CD2 LEU A 85 -2.266 7.550 3.802 1.00 0.00 C ATOM 0 H LEU A 85 -5.764 9.154 4.476 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.435 6.588 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.571 8.619 6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.609 7.158 6.241 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.314 9.390 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.046 9.553 5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.305 9.785 6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.446 8.231 6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.465 8.037 3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.857 6.715 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.019 7.181 3.105 1.00 0.00 H new ATOM 1352 N ASP A 86 -6.782 6.825 6.117 1.00 0.00 N ATOM 1353 CA ASP A 86 -7.741 5.996 6.903 1.00 0.00 C ATOM 1354 C ASP A 86 -8.345 4.912 6.009 1.00 0.00 C ATOM 1355 O ASP A 86 -8.620 3.813 6.448 1.00 0.00 O ATOM 1356 CB ASP A 86 -8.822 6.972 7.375 1.00 0.00 C ATOM 1357 CG ASP A 86 -8.341 7.698 8.634 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -7.631 7.085 9.412 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -8.692 8.855 8.797 1.00 0.00 O ATOM 0 H ASP A 86 -6.875 7.833 6.244 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.263 5.490 7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.044 7.694 6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.747 6.434 7.584 1.00 0.00 H new ATOM 1364 N LYS A 87 -8.537 5.205 4.752 1.00 0.00 N ATOM 1365 CA LYS A 87 -9.105 4.182 3.832 1.00 0.00 C ATOM 1366 C LYS A 87 -7.976 3.305 3.307 1.00 0.00 C ATOM 1367 O LYS A 87 -8.029 2.094 3.386 1.00 0.00 O ATOM 1368 CB LYS A 87 -9.757 4.977 2.700 1.00 0.00 C ATOM 1369 CG LYS A 87 -10.732 5.998 3.290 1.00 0.00 C ATOM 1370 CD LYS A 87 -11.682 5.293 4.260 1.00 0.00 C ATOM 1371 CE LYS A 87 -12.760 6.274 4.726 1.00 0.00 C ATOM 1372 NZ LYS A 87 -12.388 6.617 6.128 1.00 0.00 N ATOM 0 H LYS A 87 -8.325 6.106 4.324 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.828 3.526 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.993 5.485 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.284 4.303 2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.183 6.784 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.299 6.478 2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.144 4.434 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.127 4.913 5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.784 7.163 4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.751 5.823 4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.082 7.287 6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.380 5.753 6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.443 7.051 6.140 1.00 0.00 H new ATOM 1386 N ILE A 88 -6.935 3.903 2.804 1.00 0.00 N ATOM 1387 CA ILE A 88 -5.792 3.087 2.316 1.00 0.00 C ATOM 1388 C ILE A 88 -5.306 2.221 3.480 1.00 0.00 C ATOM 1389 O ILE A 88 -5.097 1.033 3.350 1.00 0.00 O ATOM 1390 CB ILE A 88 -4.745 4.120 1.875 1.00 0.00 C ATOM 1391 CG1 ILE A 88 -4.903 4.370 0.386 1.00 0.00 C ATOM 1392 CG2 ILE A 88 -3.320 3.630 2.151 1.00 0.00 C ATOM 1393 CD1 ILE A 88 -5.096 5.864 0.141 1.00 0.00 C ATOM 0 H ILE A 88 -6.826 4.913 2.710 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.029 2.414 1.492 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.905 5.036 2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.023 4.013 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.758 3.814 0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.606 4.387 1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.198 3.450 3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.141 2.704 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.210 6.046 -0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.989 6.206 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.227 6.409 0.511 1.00 0.00 H new ATOM 1405 N PHE A 89 -5.157 2.823 4.625 1.00 0.00 N ATOM 1406 CA PHE A 89 -4.713 2.068 5.828 1.00 0.00 C ATOM 1407 C PHE A 89 -5.767 1.034 6.193 1.00 0.00 C ATOM 1408 O PHE A 89 -5.482 0.010 6.783 1.00 0.00 O ATOM 1409 CB PHE A 89 -4.584 3.123 6.926 1.00 0.00 C ATOM 1410 CG PHE A 89 -3.399 2.803 7.806 1.00 0.00 C ATOM 1411 CD1 PHE A 89 -2.099 3.009 7.331 1.00 0.00 C ATOM 1412 CD2 PHE A 89 -3.603 2.303 9.097 1.00 0.00 C ATOM 1413 CE1 PHE A 89 -1.002 2.714 8.149 1.00 0.00 C ATOM 1414 CE2 PHE A 89 -2.507 2.008 9.915 1.00 0.00 C ATOM 1415 CZ PHE A 89 -1.205 2.214 9.441 1.00 0.00 C ATOM 0 H PHE A 89 -5.326 3.817 4.780 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.776 1.533 5.673 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.462 4.111 6.481 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.495 3.152 7.524 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.942 3.395 6.335 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.607 2.145 9.462 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.002 2.872 7.783 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.665 1.622 10.911 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.358 1.987 10.072 1.00 0.00 H new ATOM 1425 N ALA A 90 -6.976 1.288 5.812 1.00 0.00 N ATOM 1426 CA ALA A 90 -8.063 0.318 6.092 1.00 0.00 C ATOM 1427 C ALA A 90 -7.917 -0.828 5.104 1.00 0.00 C ATOM 1428 O ALA A 90 -8.281 -1.957 5.369 1.00 0.00 O ATOM 1429 CB ALA A 90 -9.366 1.084 5.863 1.00 0.00 C ATOM 0 H ALA A 90 -7.264 2.131 5.315 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.039 -0.092 7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.213 0.425 6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.411 1.937 6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.404 1.437 4.832 1.00 0.00 H new ATOM 1435 N GLY A 91 -7.347 -0.535 3.969 1.00 0.00 N ATOM 1436 CA GLY A 91 -7.123 -1.593 2.952 1.00 0.00 C ATOM 1437 C GLY A 91 -5.993 -2.485 3.456 1.00 0.00 C ATOM 1438 O GLY A 91 -6.080 -3.698 3.432 1.00 0.00 O ATOM 0 H GLY A 91 -7.026 0.396 3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.031 -2.176 2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.862 -1.151 1.990 1.00 0.00 H new ATOM 1442 N VAL A 92 -4.940 -1.885 3.942 1.00 0.00 N ATOM 1443 CA VAL A 92 -3.810 -2.682 4.486 1.00 0.00 C ATOM 1444 C VAL A 92 -4.289 -3.405 5.746 1.00 0.00 C ATOM 1445 O VAL A 92 -3.725 -4.396 6.166 1.00 0.00 O ATOM 1446 CB VAL A 92 -2.726 -1.652 4.821 1.00 0.00 C ATOM 1447 CG1 VAL A 92 -1.768 -2.222 5.871 1.00 0.00 C ATOM 1448 CG2 VAL A 92 -1.939 -1.310 3.554 1.00 0.00 C ATOM 0 H VAL A 92 -4.816 -0.873 3.985 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.435 -3.436 3.793 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.200 -0.753 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.001 -1.483 6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.324 -2.465 6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.297 -3.124 5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.168 -0.577 3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.473 -2.213 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.615 -0.896 2.806 1.00 0.00 H new ATOM 1458 N ASP A 93 -5.345 -2.913 6.339 1.00 0.00 N ATOM 1459 CA ASP A 93 -5.895 -3.560 7.559 1.00 0.00 C ATOM 1460 C ASP A 93 -6.557 -4.874 7.166 1.00 0.00 C ATOM 1461 O ASP A 93 -6.347 -5.898 7.784 1.00 0.00 O ATOM 1462 CB ASP A 93 -6.923 -2.566 8.103 1.00 0.00 C ATOM 1463 CG ASP A 93 -6.530 -2.150 9.520 1.00 0.00 C ATOM 1464 OD1 ASP A 93 -6.158 -3.020 10.290 1.00 0.00 O ATOM 1465 OD2 ASP A 93 -6.603 -0.968 9.810 1.00 0.00 O ATOM 0 H ASP A 93 -5.851 -2.085 6.026 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.135 -3.789 8.306 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.975 -1.690 7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.915 -3.018 8.107 1.00 0.00 H new ATOM 1470 N MET A 94 -7.325 -4.862 6.114 1.00 0.00 N ATOM 1471 CA MET A 94 -7.956 -6.124 5.658 1.00 0.00 C ATOM 1472 C MET A 94 -6.856 -6.979 5.052 1.00 0.00 C ATOM 1473 O MET A 94 -6.708 -8.145 5.356 1.00 0.00 O ATOM 1474 CB MET A 94 -8.982 -5.714 4.601 1.00 0.00 C ATOM 1475 CG MET A 94 -10.100 -4.906 5.261 1.00 0.00 C ATOM 1476 SD MET A 94 -10.419 -3.412 4.291 1.00 0.00 S ATOM 1477 CE MET A 94 -10.421 -4.195 2.662 1.00 0.00 C ATOM 0 H MET A 94 -7.541 -4.037 5.555 1.00 0.00 H new ATOM 0 HA MET A 94 -8.442 -6.689 6.453 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.501 -5.121 3.823 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.395 -6.599 4.118 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.006 -5.508 5.330 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.817 -4.638 6.279 1.00 0.00 H new ATOM 0 HE1 MET A 94 -11.151 -3.700 2.021 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.430 -4.110 2.216 1.00 0.00 H new ATOM 0 HE3 MET A 94 -10.683 -5.248 2.765 1.00 0.00 H new ATOM 1487 N ILE A 95 -6.053 -6.374 4.222 1.00 0.00 N ATOM 1488 CA ILE A 95 -4.919 -7.106 3.610 1.00 0.00 C ATOM 1489 C ILE A 95 -4.225 -7.929 4.700 1.00 0.00 C ATOM 1490 O ILE A 95 -3.871 -9.073 4.502 1.00 0.00 O ATOM 1491 CB ILE A 95 -4.009 -5.996 3.077 1.00 0.00 C ATOM 1492 CG1 ILE A 95 -4.426 -5.637 1.648 1.00 0.00 C ATOM 1493 CG2 ILE A 95 -2.558 -6.464 3.083 1.00 0.00 C ATOM 1494 CD1 ILE A 95 -3.540 -4.505 1.125 1.00 0.00 C ATOM 0 H ILE A 95 -6.138 -5.397 3.942 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.206 -7.800 2.820 1.00 0.00 H new ATOM 0 HB ILE A 95 -4.103 -5.118 3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.337 -6.510 1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.472 -5.332 1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.918 -5.668 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.260 -6.713 4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.457 -7.345 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.838 -4.250 0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -3.651 -3.630 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.499 -4.827 1.128 1.00 0.00 H new ATOM 1506 N THR A 96 -4.051 -7.353 5.857 1.00 0.00 N ATOM 1507 CA THR A 96 -3.408 -8.101 6.969 1.00 0.00 C ATOM 1508 C THR A 96 -4.385 -9.156 7.479 1.00 0.00 C ATOM 1509 O THR A 96 -4.031 -10.297 7.699 1.00 0.00 O ATOM 1510 CB THR A 96 -3.132 -7.059 8.052 1.00 0.00 C ATOM 1511 OG1 THR A 96 -2.036 -6.245 7.656 1.00 0.00 O ATOM 1512 CG2 THR A 96 -2.799 -7.763 9.369 1.00 0.00 C ATOM 0 H THR A 96 -4.327 -6.396 6.079 1.00 0.00 H new ATOM 0 HA THR A 96 -2.492 -8.608 6.666 1.00 0.00 H new ATOM 0 HB THR A 96 -4.016 -6.436 8.190 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.364 -5.494 7.119 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.602 -7.018 10.140 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.641 -8.385 9.672 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.916 -8.388 9.234 1.00 0.00 H new ATOM 1520 N ARG A 97 -5.624 -8.779 7.658 1.00 0.00 N ATOM 1521 CA ARG A 97 -6.634 -9.761 8.141 1.00 0.00 C ATOM 1522 C ARG A 97 -6.633 -10.990 7.231 1.00 0.00 C ATOM 1523 O ARG A 97 -6.451 -12.103 7.684 1.00 0.00 O ATOM 1524 CB ARG A 97 -7.974 -9.029 8.066 1.00 0.00 C ATOM 1525 CG ARG A 97 -8.344 -8.496 9.452 1.00 0.00 C ATOM 1526 CD ARG A 97 -8.432 -6.969 9.406 1.00 0.00 C ATOM 1527 NE ARG A 97 -9.766 -6.644 9.983 1.00 0.00 N ATOM 1528 CZ ARG A 97 -10.054 -6.999 11.206 1.00 0.00 C ATOM 1529 NH1 ARG A 97 -9.096 -7.248 12.056 1.00 0.00 N ATOM 1530 NH2 ARG A 97 -11.302 -7.106 11.575 1.00 0.00 N ATOM 0 H ARG A 97 -5.977 -7.837 7.491 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.428 -10.110 9.153 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.912 -8.207 7.353 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.750 -9.705 7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -9.297 -8.916 9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.598 -8.806 10.183 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.629 -6.510 9.983 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.343 -6.599 8.385 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.455 -6.144 9.422 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.122 -7.165 11.765 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.321 -7.525 13.011 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -12.049 -6.912 10.908 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -11.530 -7.383 12.530 1.00 0.00 H new ATOM 1544 N MET A 98 -6.810 -10.804 5.949 1.00 0.00 N ATOM 1545 CA MET A 98 -6.790 -11.977 5.036 1.00 0.00 C ATOM 1546 C MET A 98 -5.408 -12.611 5.112 1.00 0.00 C ATOM 1547 O MET A 98 -5.249 -13.805 4.977 1.00 0.00 O ATOM 1548 CB MET A 98 -7.086 -11.441 3.628 1.00 0.00 C ATOM 1549 CG MET A 98 -6.303 -10.158 3.351 1.00 0.00 C ATOM 1550 SD MET A 98 -7.461 -8.863 2.836 1.00 0.00 S ATOM 1551 CE MET A 98 -8.277 -9.786 1.512 1.00 0.00 C ATOM 0 H MET A 98 -6.966 -9.901 5.502 1.00 0.00 H new ATOM 0 HA MET A 98 -7.527 -12.735 5.302 1.00 0.00 H new ATOM 0 HB2 MET A 98 -6.826 -12.196 2.886 1.00 0.00 H new ATOM 0 HB3 MET A 98 -8.154 -11.248 3.526 1.00 0.00 H new ATOM 0 HG2 MET A 98 -5.762 -9.846 4.244 1.00 0.00 H new ATOM 0 HG3 MET A 98 -5.560 -10.331 2.572 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.067 -9.310 0.554 1.00 0.00 H new ATOM 0 HE2 MET A 98 -7.903 -10.810 1.498 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.353 -9.795 1.685 1.00 0.00 H new ATOM 1561 N VAL A 99 -4.409 -11.812 5.364 1.00 0.00 N ATOM 1562 CA VAL A 99 -3.034 -12.352 5.490 1.00 0.00 C ATOM 1563 C VAL A 99 -2.951 -13.183 6.774 1.00 0.00 C ATOM 1564 O VAL A 99 -2.299 -14.207 6.824 1.00 0.00 O ATOM 1565 CB VAL A 99 -2.135 -11.111 5.557 1.00 0.00 C ATOM 1566 CG1 VAL A 99 -0.893 -11.394 6.410 1.00 0.00 C ATOM 1567 CG2 VAL A 99 -1.690 -10.729 4.143 1.00 0.00 C ATOM 0 H VAL A 99 -4.490 -10.803 5.488 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.738 -13.003 4.667 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.700 -10.295 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.266 -10.503 6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.199 -11.664 7.421 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.329 -12.216 5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.051 -9.847 4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.136 -11.556 3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.566 -10.511 3.532 1.00 0.00 H new ATOM 1577 N ASP A 100 -3.628 -12.755 7.809 1.00 0.00 N ATOM 1578 CA ASP A 100 -3.607 -13.531 9.080 1.00 0.00 C ATOM 1579 C ASP A 100 -4.387 -14.826 8.881 1.00 0.00 C ATOM 1580 O ASP A 100 -4.054 -15.857 9.430 1.00 0.00 O ATOM 1581 CB ASP A 100 -4.290 -12.634 10.112 1.00 0.00 C ATOM 1582 CG ASP A 100 -3.764 -12.969 11.509 1.00 0.00 C ATOM 1583 OD1 ASP A 100 -2.618 -12.654 11.780 1.00 0.00 O ATOM 1584 OD2 ASP A 100 -4.516 -13.538 12.283 1.00 0.00 O ATOM 0 H ASP A 100 -4.191 -11.905 7.827 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.600 -13.799 9.400 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.099 -11.586 9.882 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -5.370 -12.776 10.075 1.00 0.00 H new ATOM 1589 N LYS A 101 -5.405 -14.785 8.067 1.00 0.00 N ATOM 1590 CA LYS A 101 -6.182 -16.015 7.799 1.00 0.00 C ATOM 1591 C LYS A 101 -5.452 -16.791 6.705 1.00 0.00 C ATOM 1592 O LYS A 101 -5.365 -18.002 6.728 1.00 0.00 O ATOM 1593 CB LYS A 101 -7.571 -15.514 7.372 1.00 0.00 C ATOM 1594 CG LYS A 101 -7.909 -15.910 5.933 1.00 0.00 C ATOM 1595 CD LYS A 101 -8.652 -14.768 5.290 1.00 0.00 C ATOM 1596 CE LYS A 101 -9.912 -15.315 4.631 1.00 0.00 C ATOM 1597 NZ LYS A 101 -10.941 -15.316 5.708 1.00 0.00 N ATOM 0 H LYS A 101 -5.728 -13.950 7.578 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.286 -16.692 8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.325 -15.920 8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.610 -14.429 7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.998 -16.132 5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.518 -16.814 5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.911 -14.018 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.021 -14.276 4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.220 -14.692 3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.749 -16.319 4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.330 -16.274 5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.506 -15.016 6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.706 -14.658 5.457 1.00 0.00 H new ATOM 1611 N ILE A 102 -4.903 -16.076 5.757 1.00 0.00 N ATOM 1612 CA ILE A 102 -4.145 -16.738 4.670 1.00 0.00 C ATOM 1613 C ILE A 102 -2.994 -17.484 5.324 1.00 0.00 C ATOM 1614 O ILE A 102 -2.572 -18.540 4.896 1.00 0.00 O ATOM 1615 CB ILE A 102 -3.632 -15.590 3.789 1.00 0.00 C ATOM 1616 CG1 ILE A 102 -4.679 -15.254 2.727 1.00 0.00 C ATOM 1617 CG2 ILE A 102 -2.322 -15.990 3.103 1.00 0.00 C ATOM 1618 CD1 ILE A 102 -4.108 -14.225 1.756 1.00 0.00 C ATOM 0 H ILE A 102 -4.951 -15.059 5.694 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.727 -17.444 4.078 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.451 -14.718 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.968 -16.156 2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.580 -14.863 3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.970 -15.166 2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.571 -16.221 3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.491 -16.868 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.855 -13.986 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.841 -13.320 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.220 -14.634 1.273 1.00 0.00 H new ATOM 1630 N VAL A 103 -2.507 -16.928 6.390 1.00 0.00 N ATOM 1631 CA VAL A 103 -1.395 -17.572 7.135 1.00 0.00 C ATOM 1632 C VAL A 103 -1.968 -18.718 7.966 1.00 0.00 C ATOM 1633 O VAL A 103 -1.332 -19.730 8.184 1.00 0.00 O ATOM 1634 CB VAL A 103 -0.839 -16.458 8.031 1.00 0.00 C ATOM 1635 CG1 VAL A 103 -0.187 -17.058 9.280 1.00 0.00 C ATOM 1636 CG2 VAL A 103 0.205 -15.656 7.252 1.00 0.00 C ATOM 0 H VAL A 103 -2.834 -16.045 6.783 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.618 -17.990 6.495 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.658 -15.806 8.336 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.203 -16.257 9.907 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.929 -17.628 9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.629 -17.717 8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.602 -14.863 7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.016 -16.316 6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.259 -15.216 6.369 1.00 0.00 H new ATOM 1646 N SER A 104 -3.176 -18.555 8.428 1.00 0.00 N ATOM 1647 CA SER A 104 -3.819 -19.618 9.247 1.00 0.00 C ATOM 1648 C SER A 104 -4.440 -20.685 8.354 1.00 0.00 C ATOM 1649 O SER A 104 -4.686 -21.799 8.772 1.00 0.00 O ATOM 1650 CB SER A 104 -4.910 -18.894 10.028 1.00 0.00 C ATOM 1651 OG SER A 104 -5.262 -19.664 11.170 1.00 0.00 O ATOM 0 H SER A 104 -3.749 -17.725 8.272 1.00 0.00 H new ATOM 0 HA SER A 104 -3.103 -20.125 9.894 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.560 -17.908 10.334 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.784 -18.740 9.396 1.00 0.00 H new ATOM 0 HG SER A 104 -5.962 -19.200 11.674 1.00 0.00 H new ATOM 1657 N GLU A 105 -4.698 -20.346 7.132 1.00 0.00 N ATOM 1658 CA GLU A 105 -5.318 -21.329 6.196 1.00 0.00 C ATOM 1659 C GLU A 105 -4.864 -21.060 4.759 1.00 0.00 C ATOM 1660 O GLU A 105 -4.696 -21.969 3.971 1.00 0.00 O ATOM 1661 CB GLU A 105 -6.837 -21.121 6.307 1.00 0.00 C ATOM 1662 CG GLU A 105 -7.227 -20.702 7.730 1.00 0.00 C ATOM 1663 CD GLU A 105 -8.727 -20.916 7.930 1.00 0.00 C ATOM 1664 OE1 GLU A 105 -9.264 -21.822 7.311 1.00 0.00 O ATOM 1665 OE2 GLU A 105 -9.315 -20.174 8.699 1.00 0.00 O ATOM 0 H GLU A 105 -4.508 -19.427 6.732 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.028 -22.349 6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.157 -20.358 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.355 -22.042 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.665 -21.285 8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.973 -19.655 7.895 1.00 0.00 H new ATOM 1672 N GLY A 106 -4.676 -19.818 4.406 1.00 0.00 N ATOM 1673 CA GLY A 106 -4.248 -19.503 3.014 1.00 0.00 C ATOM 1674 C GLY A 106 -5.432 -18.918 2.244 1.00 0.00 C ATOM 1675 O GLY A 106 -5.445 -18.896 1.029 1.00 0.00 O ATOM 0 H GLY A 106 -4.800 -19.011 5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.421 -18.793 3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -3.887 -20.404 2.519 1.00 0.00 H new ATOM 1679 N SER A 107 -6.424 -18.432 2.942 1.00 0.00 N ATOM 1680 CA SER A 107 -7.599 -17.837 2.247 1.00 0.00 C ATOM 1681 C SER A 107 -7.496 -16.327 2.289 1.00 0.00 C ATOM 1682 O SER A 107 -7.362 -15.742 3.332 1.00 0.00 O ATOM 1683 CB SER A 107 -8.819 -18.301 3.033 1.00 0.00 C ATOM 1684 OG SER A 107 -8.923 -19.716 2.953 1.00 0.00 O ATOM 0 H SER A 107 -6.470 -18.422 3.961 1.00 0.00 H new ATOM 0 HA SER A 107 -7.657 -18.140 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.734 -17.990 4.074 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.721 -17.836 2.634 1.00 0.00 H new ATOM 0 HG SER A 107 -9.706 -20.016 3.460 1.00 0.00 H new ATOM 1690 N ASP A 108 -7.570 -15.699 1.161 1.00 0.00 N ATOM 1691 CA ASP A 108 -7.494 -14.215 1.128 1.00 0.00 C ATOM 1692 C ASP A 108 -8.908 -13.661 0.997 1.00 0.00 C ATOM 1693 O ASP A 108 -9.112 -12.501 0.698 1.00 0.00 O ATOM 1694 CB ASP A 108 -6.665 -13.894 -0.116 1.00 0.00 C ATOM 1695 CG ASP A 108 -6.294 -12.412 -0.121 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -6.057 -11.877 0.949 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -6.249 -11.839 -1.196 1.00 0.00 O ATOM 0 H ASP A 108 -7.681 -16.148 0.252 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.048 -13.781 2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.762 -14.505 -0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -7.230 -14.140 -1.015 1.00 0.00 H new ATOM 1702 N ASP A 109 -9.889 -14.495 1.213 1.00 0.00 N ATOM 1703 CA ASP A 109 -11.301 -14.025 1.094 1.00 0.00 C ATOM 1704 C ASP A 109 -11.921 -13.831 2.480 1.00 0.00 C ATOM 1705 O ASP A 109 -12.360 -14.773 3.110 1.00 0.00 O ATOM 1706 CB ASP A 109 -12.026 -15.135 0.332 1.00 0.00 C ATOM 1707 CG ASP A 109 -11.971 -16.431 1.142 1.00 0.00 C ATOM 1708 OD1 ASP A 109 -10.953 -17.101 1.083 1.00 0.00 O ATOM 1709 OD2 ASP A 109 -12.949 -16.733 1.808 1.00 0.00 O ATOM 0 H ASP A 109 -9.776 -15.477 1.466 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.371 -13.065 0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -13.063 -14.850 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.563 -15.283 -0.643 1.00 0.00 H new ATOM 1714 N ILE A 110 -11.967 -12.616 2.960 1.00 0.00 N ATOM 1715 CA ILE A 110 -12.569 -12.372 4.305 1.00 0.00 C ATOM 1716 C ILE A 110 -13.921 -11.665 4.160 1.00 0.00 C ATOM 1717 O ILE A 110 -14.413 -11.045 5.081 1.00 0.00 O ATOM 1718 CB ILE A 110 -11.562 -11.492 5.054 1.00 0.00 C ATOM 1719 CG1 ILE A 110 -11.150 -10.310 4.172 1.00 0.00 C ATOM 1720 CG2 ILE A 110 -10.320 -12.317 5.412 1.00 0.00 C ATOM 1721 CD1 ILE A 110 -10.350 -9.306 5.006 1.00 0.00 C ATOM 0 H ILE A 110 -11.616 -11.786 2.482 1.00 0.00 H new ATOM 0 HA ILE A 110 -12.758 -13.300 4.844 1.00 0.00 H new ATOM 0 HB ILE A 110 -12.026 -11.118 5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -10.550 -10.661 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -12.034 -9.829 3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.606 -11.688 5.944 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.610 -13.154 6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.860 -12.696 4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.056 -8.464 4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.965 -8.947 5.831 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.458 -9.791 5.403 1.00 0.00 H new ATOM 1733 N GLY A 111 -14.532 -11.772 3.009 1.00 0.00 N ATOM 1734 CA GLY A 111 -15.861 -11.128 2.800 1.00 0.00 C ATOM 1735 C GLY A 111 -15.701 -9.611 2.667 1.00 0.00 C ATOM 1736 O GLY A 111 -16.669 -8.891 2.514 1.00 0.00 O ATOM 0 H GLY A 111 -14.166 -12.279 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -16.331 -11.531 1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -16.520 -11.359 3.637 1.00 0.00 H new ATOM 1740 N GLU A 112 -14.497 -9.115 2.723 1.00 0.00 N ATOM 1741 CA GLU A 112 -14.300 -7.641 2.600 1.00 0.00 C ATOM 1742 C GLU A 112 -14.611 -7.173 1.174 1.00 0.00 C ATOM 1743 O GLU A 112 -14.522 -7.928 0.227 1.00 0.00 O ATOM 1744 CB GLU A 112 -12.829 -7.405 2.939 1.00 0.00 C ATOM 1745 CG GLU A 112 -12.652 -7.421 4.459 1.00 0.00 C ATOM 1746 CD GLU A 112 -13.615 -6.416 5.096 1.00 0.00 C ATOM 1747 OE1 GLU A 112 -13.456 -5.234 4.845 1.00 0.00 O ATOM 1748 OE2 GLU A 112 -14.497 -6.848 5.820 1.00 0.00 O ATOM 0 H GLU A 112 -13.645 -9.661 2.848 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.963 -7.083 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.210 -8.176 2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.499 -6.449 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.844 -8.421 4.848 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -11.624 -7.170 4.719 1.00 0.00 H new ATOM 1755 N ASN A 113 -14.982 -5.930 1.020 1.00 0.00 N ATOM 1756 CA ASN A 113 -15.309 -5.405 -0.341 1.00 0.00 C ATOM 1757 C ASN A 113 -14.055 -4.837 -1.006 1.00 0.00 C ATOM 1758 O ASN A 113 -13.272 -4.152 -0.382 1.00 0.00 O ATOM 1759 CB ASN A 113 -16.343 -4.295 -0.117 1.00 0.00 C ATOM 1760 CG ASN A 113 -17.265 -4.657 1.052 1.00 0.00 C ATOM 1761 OD1 ASN A 113 -17.504 -3.846 1.925 1.00 0.00 O ATOM 1762 ND2 ASN A 113 -17.797 -5.845 1.104 1.00 0.00 N ATOM 0 H ASN A 113 -15.073 -5.253 1.778 1.00 0.00 H new ATOM 0 HA ASN A 113 -15.693 -6.188 -0.995 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.836 -3.352 0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.932 -4.149 -1.022 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.414 -6.094 1.877 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.597 -6.526 0.372 1.00 0.00 H new ATOM 1769 N ILE A 114 -13.862 -5.114 -2.269 1.00 0.00 N ATOM 1770 CA ILE A 114 -12.661 -4.581 -2.974 1.00 0.00 C ATOM 1771 C ILE A 114 -13.078 -3.526 -3.997 1.00 0.00 C ATOM 1772 O ILE A 114 -12.975 -2.340 -3.750 1.00 0.00 O ATOM 1773 CB ILE A 114 -12.027 -5.779 -3.680 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -11.593 -6.836 -2.652 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.812 -5.301 -4.474 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -11.040 -6.159 -1.395 1.00 0.00 C ATOM 0 H ILE A 114 -14.484 -5.685 -2.841 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.964 -4.108 -2.282 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.757 -6.229 -4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -12.442 -7.468 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -10.834 -7.486 -3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -10.352 -6.149 -4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -11.127 -4.563 -5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -10.089 -4.849 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -10.737 -6.920 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -10.178 -5.547 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -11.811 -5.528 -0.952 1.00 0.00 H new ATOM 1788 N ASP A 115 -13.558 -3.942 -5.143 1.00 0.00 N ATOM 1789 CA ASP A 115 -13.988 -2.944 -6.163 1.00 0.00 C ATOM 1790 C ASP A 115 -14.802 -1.865 -5.471 1.00 0.00 C ATOM 1791 O ASP A 115 -14.845 -0.723 -5.882 1.00 0.00 O ATOM 1792 CB ASP A 115 -14.847 -3.719 -7.163 1.00 0.00 C ATOM 1793 CG ASP A 115 -15.187 -2.815 -8.350 1.00 0.00 C ATOM 1794 OD1 ASP A 115 -15.717 -1.741 -8.118 1.00 0.00 O ATOM 1795 OD2 ASP A 115 -14.912 -3.212 -9.469 1.00 0.00 O ATOM 0 H ASP A 115 -13.669 -4.920 -5.412 1.00 0.00 H new ATOM 0 HA ASP A 115 -13.150 -2.462 -6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -14.313 -4.605 -7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -15.762 -4.065 -6.682 1.00 0.00 H new ATOM 1800 N VAL A 116 -15.424 -2.236 -4.399 1.00 0.00 N ATOM 1801 CA VAL A 116 -16.228 -1.270 -3.617 1.00 0.00 C ATOM 1802 C VAL A 116 -15.309 -0.489 -2.696 1.00 0.00 C ATOM 1803 O VAL A 116 -15.310 0.724 -2.668 1.00 0.00 O ATOM 1804 CB VAL A 116 -17.190 -2.130 -2.804 1.00 0.00 C ATOM 1805 CG1 VAL A 116 -18.090 -1.233 -1.953 1.00 0.00 C ATOM 1806 CG2 VAL A 116 -18.052 -2.966 -3.753 1.00 0.00 C ATOM 0 H VAL A 116 -15.410 -3.184 -4.024 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.758 -0.552 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.620 -2.791 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.776 -1.851 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -17.476 -0.639 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.660 -0.569 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.740 -3.581 -3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.620 -2.304 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.411 -3.609 -4.356 1.00 0.00 H new ATOM 1816 N PHE A 117 -14.513 -1.189 -1.959 1.00 0.00 N ATOM 1817 CA PHE A 117 -13.561 -0.510 -1.039 1.00 0.00 C ATOM 1818 C PHE A 117 -12.590 0.335 -1.859 1.00 0.00 C ATOM 1819 O PHE A 117 -12.016 1.294 -1.381 1.00 0.00 O ATOM 1820 CB PHE A 117 -12.824 -1.641 -0.326 1.00 0.00 C ATOM 1821 CG PHE A 117 -11.656 -1.082 0.447 1.00 0.00 C ATOM 1822 CD1 PHE A 117 -11.856 -0.538 1.722 1.00 0.00 C ATOM 1823 CD2 PHE A 117 -10.372 -1.111 -0.110 1.00 0.00 C ATOM 1824 CE1 PHE A 117 -10.770 -0.022 2.439 1.00 0.00 C ATOM 1825 CE2 PHE A 117 -9.287 -0.596 0.607 1.00 0.00 C ATOM 1826 CZ PHE A 117 -9.486 -0.052 1.881 1.00 0.00 C ATOM 0 H PHE A 117 -14.475 -2.208 -1.949 1.00 0.00 H new ATOM 0 HA PHE A 117 -14.055 0.153 -0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -13.503 -2.161 0.349 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -12.474 -2.374 -1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -12.847 -0.517 2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.219 -1.531 -1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -10.922 0.399 3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -8.296 -0.618 0.178 1.00 0.00 H new ATOM 0 HZ PHE A 117 -8.648 0.345 2.435 1.00 0.00 H new ATOM 1836 N SER A 118 -12.424 -0.005 -3.108 1.00 0.00 N ATOM 1837 CA SER A 118 -11.523 0.771 -3.979 1.00 0.00 C ATOM 1838 C SER A 118 -12.332 1.859 -4.642 1.00 0.00 C ATOM 1839 O SER A 118 -11.928 2.997 -4.715 1.00 0.00 O ATOM 1840 CB SER A 118 -11.005 -0.233 -5.006 1.00 0.00 C ATOM 1841 OG SER A 118 -11.678 -0.031 -6.244 1.00 0.00 O ATOM 0 H SER A 118 -12.883 -0.797 -3.558 1.00 0.00 H new ATOM 0 HA SER A 118 -10.698 1.244 -3.447 1.00 0.00 H new ATOM 0 HB2 SER A 118 -9.930 -0.112 -5.140 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.169 -1.251 -4.652 1.00 0.00 H new ATOM 0 HG SER A 118 -11.346 -0.673 -6.905 1.00 0.00 H new ATOM 1847 N ASP A 119 -13.496 1.505 -5.087 1.00 0.00 N ATOM 1848 CA ASP A 119 -14.388 2.504 -5.732 1.00 0.00 C ATOM 1849 C ASP A 119 -14.794 3.524 -4.687 1.00 0.00 C ATOM 1850 O ASP A 119 -15.034 4.678 -4.971 1.00 0.00 O ATOM 1851 CB ASP A 119 -15.600 1.718 -6.233 1.00 0.00 C ATOM 1852 CG ASP A 119 -16.633 2.687 -6.810 1.00 0.00 C ATOM 1853 OD1 ASP A 119 -16.377 3.879 -6.783 1.00 0.00 O ATOM 1854 OD2 ASP A 119 -17.662 2.221 -7.270 1.00 0.00 O ATOM 0 H ASP A 119 -13.874 0.559 -5.033 1.00 0.00 H new ATOM 0 HA ASP A 119 -13.911 3.035 -6.556 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -15.293 1.001 -6.995 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.039 1.146 -5.416 1.00 0.00 H new ATOM 1859 N THR A 120 -14.828 3.090 -3.470 1.00 0.00 N ATOM 1860 CA THR A 120 -15.169 4.003 -2.351 1.00 0.00 C ATOM 1861 C THR A 120 -14.032 5.003 -2.212 1.00 0.00 C ATOM 1862 O THR A 120 -14.226 6.198 -2.102 1.00 0.00 O ATOM 1863 CB THR A 120 -15.283 3.079 -1.129 1.00 0.00 C ATOM 1864 OG1 THR A 120 -16.646 2.729 -0.930 1.00 0.00 O ATOM 1865 CG2 THR A 120 -14.750 3.772 0.125 1.00 0.00 C ATOM 0 H THR A 120 -14.632 2.128 -3.194 1.00 0.00 H new ATOM 0 HA THR A 120 -16.089 4.572 -2.486 1.00 0.00 H new ATOM 0 HB THR A 120 -14.689 2.183 -1.312 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.853 1.918 -1.440 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.840 3.100 0.978 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.702 4.034 -0.022 1.00 0.00 H new ATOM 0 HG23 THR A 120 -15.327 4.677 0.314 1.00 0.00 H new ATOM 1873 N ILE A 121 -12.846 4.496 -2.248 1.00 0.00 N ATOM 1874 CA ILE A 121 -11.643 5.355 -2.156 1.00 0.00 C ATOM 1875 C ILE A 121 -11.450 6.090 -3.491 1.00 0.00 C ATOM 1876 O ILE A 121 -11.138 7.264 -3.528 1.00 0.00 O ATOM 1877 CB ILE A 121 -10.511 4.358 -1.858 1.00 0.00 C ATOM 1878 CG1 ILE A 121 -9.941 4.654 -0.475 1.00 0.00 C ATOM 1879 CG2 ILE A 121 -9.394 4.442 -2.906 1.00 0.00 C ATOM 1880 CD1 ILE A 121 -9.343 6.062 -0.454 1.00 0.00 C ATOM 0 H ILE A 121 -12.651 3.499 -2.339 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.694 6.131 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 121 -10.922 3.349 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -10.725 4.570 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -9.176 3.920 -0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.612 3.723 -2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -9.802 4.215 -3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.974 5.448 -2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -8.937 6.270 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -8.546 6.130 -1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.119 6.791 -0.688 1.00 0.00 H new ATOM 1892 N LYS A 122 -11.660 5.404 -4.583 1.00 0.00 N ATOM 1893 CA LYS A 122 -11.519 6.042 -5.907 1.00 0.00 C ATOM 1894 C LYS A 122 -12.517 7.184 -6.009 1.00 0.00 C ATOM 1895 O LYS A 122 -12.244 8.223 -6.579 1.00 0.00 O ATOM 1896 CB LYS A 122 -11.853 4.926 -6.893 1.00 0.00 C ATOM 1897 CG LYS A 122 -10.573 4.517 -7.610 1.00 0.00 C ATOM 1898 CD LYS A 122 -10.097 3.157 -7.100 1.00 0.00 C ATOM 1899 CE LYS A 122 -8.811 3.343 -6.289 1.00 0.00 C ATOM 1900 NZ LYS A 122 -7.711 2.969 -7.222 1.00 0.00 N ATOM 0 H LYS A 122 -11.926 4.419 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.530 6.462 -6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.283 4.073 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.598 5.266 -7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -10.748 4.470 -8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.799 5.267 -7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -10.868 2.698 -6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -9.918 2.484 -7.938 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.705 4.372 -5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -8.809 2.710 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.826 2.857 -6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.946 2.073 -7.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.592 3.716 -7.936 1.00 0.00 H new ATOM 1914 N SER A 123 -13.669 7.002 -5.435 1.00 0.00 N ATOM 1915 CA SER A 123 -14.689 8.075 -5.464 1.00 0.00 C ATOM 1916 C SER A 123 -14.372 9.098 -4.386 1.00 0.00 C ATOM 1917 O SER A 123 -14.854 10.213 -4.398 1.00 0.00 O ATOM 1918 CB SER A 123 -16.005 7.378 -5.159 1.00 0.00 C ATOM 1919 OG SER A 123 -16.595 6.928 -6.372 1.00 0.00 O ATOM 0 H SER A 123 -13.947 6.152 -4.945 1.00 0.00 H new ATOM 0 HA SER A 123 -14.722 8.599 -6.419 1.00 0.00 H new ATOM 0 HB2 SER A 123 -15.836 6.535 -4.490 1.00 0.00 H new ATOM 0 HB3 SER A 123 -16.681 8.062 -4.645 1.00 0.00 H new ATOM 0 HG SER A 123 -16.492 5.956 -6.445 1.00 0.00 H new ATOM 1925 N PHE A 124 -13.550 8.718 -3.457 1.00 0.00 N ATOM 1926 CA PHE A 124 -13.174 9.658 -2.365 1.00 0.00 C ATOM 1927 C PHE A 124 -12.194 10.698 -2.898 1.00 0.00 C ATOM 1928 O PHE A 124 -11.785 11.606 -2.200 1.00 0.00 O ATOM 1929 CB PHE A 124 -12.510 8.788 -1.300 1.00 0.00 C ATOM 1930 CG PHE A 124 -12.193 9.634 -0.090 1.00 0.00 C ATOM 1931 CD1 PHE A 124 -13.128 10.566 0.375 1.00 0.00 C ATOM 1932 CD2 PHE A 124 -10.965 9.487 0.565 1.00 0.00 C ATOM 1933 CE1 PHE A 124 -12.835 11.351 1.496 1.00 0.00 C ATOM 1934 CE2 PHE A 124 -10.671 10.273 1.685 1.00 0.00 C ATOM 1935 CZ PHE A 124 -11.606 11.205 2.152 1.00 0.00 C ATOM 0 H PHE A 124 -13.119 7.795 -3.403 1.00 0.00 H new ATOM 0 HA PHE A 124 -14.032 10.198 -1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -13.171 7.967 -1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -11.597 8.342 -1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -14.075 10.679 -0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -10.244 8.767 0.206 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -13.557 12.070 1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -9.723 10.161 2.189 1.00 0.00 H new ATOM 0 HZ PHE A 124 -11.380 11.811 3.017 1.00 0.00 H new