USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 685 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 74 MET CE :methyl 158:sc= -6.49! (180deg=-8.41!) USER MOD Set 1.2: A 91 ASN : amide:sc= -4.34! C(o=-11!,f=-13!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0791 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.3 K(o=0.3,f=-2.1!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -143:sc= -0.0587 (180deg=-0.743) USER MOD Single : A 37 SER OG : rot -44:sc= 0.947 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0595) USER MOD Single : A 59 TYR OH : rot 180:sc= -1.21 USER MOD Single : A 62 CYS SG : rot 98:sc= -3.8! USER MOD Single : A 64 TYR OH : rot 157:sc= -2.29! USER MOD Single : A 65 GLN : amide:sc= -1.33! C(o=-1.3!,f=-2.7!) USER MOD Single : A 67 GLN : amide:sc= -5.5! C(o=-5.5!,f=-5.2!) USER MOD Single : A 69 THR OG1 : rot 173:sc= 0.486 USER MOD Single : A 72 SER OG : rot -38:sc= 0.699 USER MOD Single : A 76 ASN :FLIP amide:sc= -3.85! C(o=-4.6!,f=-3.8!) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.446! F(o=-1.1,f=-0.45!) USER MOD Single : A 94 SER OG : rot 160:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -2.48! C(o=-2.5!,f=-3.5!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N SER A 14 7.720 -0.610 8.523 1.00 0.00 N ATOM 90 CA SER A 14 7.600 0.170 9.744 1.00 0.00 C ATOM 91 C SER A 14 7.122 -0.723 10.891 1.00 0.00 C ATOM 92 O SER A 14 7.516 -0.527 12.040 1.00 0.00 O ATOM 93 CB SER A 14 6.642 1.347 9.553 1.00 0.00 C ATOM 94 OG SER A 14 7.266 2.595 9.843 1.00 0.00 O ATOM 0 HA SER A 14 8.582 0.572 9.991 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.277 1.354 8.526 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.774 1.217 10.199 1.00 0.00 H new ATOM 0 HG SER A 14 6.623 3.322 9.708 1.00 0.00 H new ATOM 100 N LEU A 15 6.281 -1.684 10.539 1.00 0.00 N ATOM 101 CA LEU A 15 5.745 -2.607 11.525 1.00 0.00 C ATOM 102 C LEU A 15 6.865 -3.525 12.020 1.00 0.00 C ATOM 103 O LEU A 15 6.726 -4.180 13.051 1.00 0.00 O ATOM 104 CB LEU A 15 4.541 -3.360 10.956 1.00 0.00 C ATOM 105 CG LEU A 15 3.223 -2.582 10.913 1.00 0.00 C ATOM 106 CD1 LEU A 15 2.363 -2.894 12.139 1.00 0.00 C ATOM 107 CD2 LEU A 15 3.477 -1.082 10.757 1.00 0.00 C ATOM 0 H LEU A 15 5.958 -1.844 9.585 1.00 0.00 H new ATOM 0 HA LEU A 15 5.371 -2.062 12.392 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.784 -3.681 9.943 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.388 -4.262 11.548 1.00 0.00 H new ATOM 0 HG LEU A 15 2.663 -2.906 10.036 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.433 -2.329 12.084 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.139 -3.960 12.164 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.904 -2.615 13.043 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.525 -0.553 10.729 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.067 -0.723 11.600 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.021 -0.900 9.830 1.00 0.00 H new ATOM 119 N ARG A 16 7.951 -3.542 11.261 1.00 0.00 N ATOM 120 CA ARG A 16 9.095 -4.368 11.609 1.00 0.00 C ATOM 121 C ARG A 16 10.184 -3.517 12.266 1.00 0.00 C ATOM 122 O ARG A 16 10.486 -3.692 13.445 1.00 0.00 O ATOM 123 CB ARG A 16 9.673 -5.059 10.373 1.00 0.00 C ATOM 124 CG ARG A 16 8.752 -6.182 9.891 1.00 0.00 C ATOM 125 CD ARG A 16 8.747 -6.270 8.364 1.00 0.00 C ATOM 126 NE ARG A 16 10.091 -6.649 7.874 1.00 0.00 N ATOM 127 CZ ARG A 16 10.544 -6.383 6.641 1.00 0.00 C ATOM 128 NH1 ARG A 16 9.763 -5.737 5.766 1.00 0.00 N ATOM 129 NH2 ARG A 16 11.778 -6.765 6.284 1.00 0.00 N ATOM 0 H ARG A 16 8.063 -2.997 10.406 1.00 0.00 H new ATOM 0 HA ARG A 16 8.753 -5.130 12.309 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.811 -4.329 9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.657 -5.466 10.606 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.080 -7.132 10.312 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.739 -6.006 10.252 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.011 -7.004 8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.452 -5.311 7.937 1.00 0.00 H new ATOM 0 HE ARG A 16 10.711 -7.144 8.515 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.824 -5.447 6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.108 -5.534 4.828 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.372 -7.258 6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.123 -6.563 5.346 1.00 0.00 H new ATOM 143 N SER A 17 10.743 -2.615 11.473 1.00 0.00 N ATOM 144 CA SER A 17 11.792 -1.736 11.962 1.00 0.00 C ATOM 145 C SER A 17 11.511 -1.344 13.414 1.00 0.00 C ATOM 146 O SER A 17 10.527 -0.661 13.697 1.00 0.00 O ATOM 147 CB SER A 17 11.915 -0.486 11.089 1.00 0.00 C ATOM 148 OG SER A 17 12.085 -0.812 9.712 1.00 0.00 O ATOM 0 H SER A 17 10.489 -2.474 10.495 1.00 0.00 H new ATOM 0 HA SER A 17 12.739 -2.274 11.914 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.023 0.129 11.209 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.762 0.111 11.428 1.00 0.00 H new ATOM 0 HG SER A 17 12.158 0.012 9.187 1.00 0.00 H new ATOM 154 N VAL A 18 12.392 -1.791 14.296 1.00 0.00 N ATOM 155 CA VAL A 18 12.251 -1.495 15.712 1.00 0.00 C ATOM 156 C VAL A 18 13.365 -0.539 16.142 1.00 0.00 C ATOM 157 O VAL A 18 14.545 -0.825 15.943 1.00 0.00 O ATOM 158 CB VAL A 18 12.234 -2.795 16.519 1.00 0.00 C ATOM 159 CG1 VAL A 18 10.804 -3.307 16.703 1.00 0.00 C ATOM 160 CG2 VAL A 18 13.117 -3.859 15.864 1.00 0.00 C ATOM 0 H VAL A 18 13.207 -2.356 14.058 1.00 0.00 H new ATOM 0 HA VAL A 18 11.302 -0.996 15.905 1.00 0.00 H new ATOM 0 HB VAL A 18 12.643 -2.582 17.506 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.820 -4.232 17.280 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.215 -2.559 17.233 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.357 -3.496 15.727 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.087 -4.773 16.458 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.751 -4.067 14.859 1.00 0.00 H new ATOM 0 HG23 VAL A 18 14.143 -3.496 15.808 1.00 0.00 H new ATOM 170 N PHE A 19 12.951 0.577 16.724 1.00 0.00 N ATOM 171 CA PHE A 19 13.899 1.577 17.184 1.00 0.00 C ATOM 172 C PHE A 19 14.578 1.134 18.481 1.00 0.00 C ATOM 173 O PHE A 19 13.907 0.749 19.437 1.00 0.00 O ATOM 174 CB PHE A 19 13.105 2.858 17.450 1.00 0.00 C ATOM 175 CG PHE A 19 13.860 3.897 18.281 1.00 0.00 C ATOM 176 CD1 PHE A 19 14.652 4.816 17.664 1.00 0.00 C ATOM 177 CD2 PHE A 19 13.741 3.902 19.635 1.00 0.00 C ATOM 178 CE1 PHE A 19 15.352 5.781 18.435 1.00 0.00 C ATOM 179 CE2 PHE A 19 14.442 4.867 20.406 1.00 0.00 C ATOM 180 CZ PHE A 19 15.233 5.786 19.790 1.00 0.00 C ATOM 0 H PHE A 19 11.972 0.811 16.887 1.00 0.00 H new ATOM 0 HA PHE A 19 14.674 1.727 16.433 1.00 0.00 H new ATOM 0 HB2 PHE A 19 12.825 3.305 16.496 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.179 2.599 17.964 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.748 4.811 16.588 1.00 0.00 H new ATOM 0 HD2 PHE A 19 13.113 3.172 20.125 1.00 0.00 H new ATOM 0 HE1 PHE A 19 15.979 6.511 17.945 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.347 4.871 21.482 1.00 0.00 H new ATOM 0 HZ PHE A 19 15.766 6.519 20.376 1.00 0.00 H new ATOM 190 N VAL A 20 15.902 1.202 18.472 1.00 0.00 N ATOM 191 CA VAL A 20 16.679 0.813 19.637 1.00 0.00 C ATOM 192 C VAL A 20 17.376 2.046 20.215 1.00 0.00 C ATOM 193 O VAL A 20 17.977 2.826 19.478 1.00 0.00 O ATOM 194 CB VAL A 20 17.654 -0.306 19.264 1.00 0.00 C ATOM 195 CG1 VAL A 20 18.070 -1.105 20.501 1.00 0.00 C ATOM 196 CG2 VAL A 20 17.055 -1.222 18.195 1.00 0.00 C ATOM 0 H VAL A 20 16.456 1.521 17.677 1.00 0.00 H new ATOM 0 HA VAL A 20 16.028 0.414 20.415 1.00 0.00 H new ATOM 0 HB VAL A 20 18.549 0.155 18.846 1.00 0.00 H new ATOM 0 HG11 VAL A 20 18.763 -1.894 20.208 1.00 0.00 H new ATOM 0 HG12 VAL A 20 18.556 -0.442 21.216 1.00 0.00 H new ATOM 0 HG13 VAL A 20 17.187 -1.549 20.961 1.00 0.00 H new ATOM 0 HG21 VAL A 20 17.768 -2.008 17.948 1.00 0.00 H new ATOM 0 HG22 VAL A 20 16.137 -1.671 18.574 1.00 0.00 H new ATOM 0 HG23 VAL A 20 16.833 -0.640 17.300 1.00 0.00 H new ATOM 206 N GLY A 21 17.273 2.182 21.529 1.00 0.00 N ATOM 207 CA GLY A 21 17.886 3.307 22.215 1.00 0.00 C ATOM 208 C GLY A 21 18.560 2.857 23.513 1.00 0.00 C ATOM 209 O GLY A 21 18.598 1.665 23.816 1.00 0.00 O ATOM 0 H GLY A 21 16.774 1.532 22.137 1.00 0.00 H new ATOM 0 HA2 GLY A 21 18.622 3.778 21.563 1.00 0.00 H new ATOM 0 HA3 GLY A 21 17.129 4.059 22.436 1.00 0.00 H new ATOM 213 N ASN A 22 19.075 3.834 24.244 1.00 0.00 N ATOM 214 CA ASN A 22 19.745 3.553 25.503 1.00 0.00 C ATOM 215 C ASN A 22 20.981 2.692 25.236 1.00 0.00 C ATOM 216 O ASN A 22 21.472 2.009 26.134 1.00 0.00 O ATOM 217 CB ASN A 22 18.828 2.782 26.455 1.00 0.00 C ATOM 218 CG ASN A 22 19.172 3.087 27.914 1.00 0.00 C ATOM 219 OD1 ASN A 22 19.571 4.184 28.269 1.00 0.00 O ATOM 220 ND2 ASN A 22 18.996 2.058 28.738 1.00 0.00 N ATOM 0 H ASN A 22 19.042 4.821 23.989 1.00 0.00 H new ATOM 0 HA ASN A 22 20.020 4.504 25.959 1.00 0.00 H new ATOM 0 HB2 ASN A 22 17.789 3.047 26.259 1.00 0.00 H new ATOM 0 HB3 ASN A 22 18.924 1.712 26.271 1.00 0.00 H new ATOM 0 HD21 ASN A 22 19.198 2.161 29.733 1.00 0.00 H new ATOM 0 HD22 ASN A 22 18.659 1.166 28.375 1.00 0.00 H new ATOM 227 N ILE A 23 21.450 2.753 23.998 1.00 0.00 N ATOM 228 CA ILE A 23 22.620 1.988 23.603 1.00 0.00 C ATOM 229 C ILE A 23 23.864 2.872 23.712 1.00 0.00 C ATOM 230 O ILE A 23 24.000 3.851 22.981 1.00 0.00 O ATOM 231 CB ILE A 23 22.418 1.381 22.213 1.00 0.00 C ATOM 232 CG1 ILE A 23 20.954 0.996 21.990 1.00 0.00 C ATOM 233 CG2 ILE A 23 23.362 0.198 21.988 1.00 0.00 C ATOM 234 CD1 ILE A 23 20.714 0.566 20.542 1.00 0.00 C ATOM 0 H ILE A 23 21.041 3.320 23.256 1.00 0.00 H new ATOM 0 HA ILE A 23 22.768 1.144 24.277 1.00 0.00 H new ATOM 0 HB ILE A 23 22.669 2.139 21.470 1.00 0.00 H new ATOM 0 HG12 ILE A 23 20.681 0.184 22.664 1.00 0.00 H new ATOM 0 HG13 ILE A 23 20.311 1.842 22.233 1.00 0.00 H new ATOM 0 HG21 ILE A 23 23.197 -0.215 20.993 1.00 0.00 H new ATOM 0 HG22 ILE A 23 24.395 0.535 22.075 1.00 0.00 H new ATOM 0 HG23 ILE A 23 23.167 -0.570 22.736 1.00 0.00 H new ATOM 0 HD11 ILE A 23 19.666 0.298 20.411 1.00 0.00 H new ATOM 0 HD12 ILE A 23 20.965 1.388 19.872 1.00 0.00 H new ATOM 0 HD13 ILE A 23 21.341 -0.295 20.310 1.00 0.00 H new ATOM 246 N PRO A 24 24.763 2.485 24.656 1.00 0.00 N ATOM 247 CA PRO A 24 25.991 3.231 24.872 1.00 0.00 C ATOM 248 C PRO A 24 26.998 2.963 23.752 1.00 0.00 C ATOM 249 O PRO A 24 26.751 2.137 22.874 1.00 0.00 O ATOM 250 CB PRO A 24 26.487 2.786 26.237 1.00 0.00 C ATOM 251 CG PRO A 24 25.778 1.474 26.532 1.00 0.00 C ATOM 252 CD PRO A 24 24.634 1.330 25.541 1.00 0.00 C ATOM 0 HA PRO A 24 25.838 4.310 24.852 1.00 0.00 H new ATOM 0 HB2 PRO A 24 27.569 2.653 26.235 1.00 0.00 H new ATOM 0 HB3 PRO A 24 26.259 3.533 26.998 1.00 0.00 H new ATOM 0 HG2 PRO A 24 26.470 0.637 26.440 1.00 0.00 H new ATOM 0 HG3 PRO A 24 25.401 1.465 27.555 1.00 0.00 H new ATOM 0 HD2 PRO A 24 24.707 0.395 24.985 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.669 1.325 26.048 1.00 0.00 H new ATOM 260 N TYR A 25 28.113 3.675 23.820 1.00 0.00 N ATOM 261 CA TYR A 25 29.160 3.525 22.823 1.00 0.00 C ATOM 262 C TYR A 25 29.896 2.195 22.998 1.00 0.00 C ATOM 263 O TYR A 25 30.781 1.863 22.211 1.00 0.00 O ATOM 264 CB TYR A 25 30.141 4.674 23.064 1.00 0.00 C ATOM 265 CG TYR A 25 29.494 6.060 23.041 1.00 0.00 C ATOM 266 CD1 TYR A 25 29.357 6.737 21.846 1.00 0.00 C ATOM 267 CD2 TYR A 25 29.048 6.633 24.214 1.00 0.00 C ATOM 268 CE1 TYR A 25 28.748 8.042 21.824 1.00 0.00 C ATOM 269 CE2 TYR A 25 28.439 7.938 24.192 1.00 0.00 C ATOM 270 CZ TYR A 25 28.319 8.578 22.997 1.00 0.00 C ATOM 271 OH TYR A 25 27.744 9.810 22.976 1.00 0.00 O ATOM 0 H TYR A 25 28.315 4.358 24.550 1.00 0.00 H new ATOM 0 HA TYR A 25 28.738 3.541 21.818 1.00 0.00 H new ATOM 0 HB2 TYR A 25 30.627 4.527 24.029 1.00 0.00 H new ATOM 0 HB3 TYR A 25 30.922 4.636 22.305 1.00 0.00 H new ATOM 0 HD1 TYR A 25 29.706 6.288 20.928 1.00 0.00 H new ATOM 0 HD2 TYR A 25 29.156 6.103 25.149 1.00 0.00 H new ATOM 0 HE1 TYR A 25 28.635 8.583 20.896 1.00 0.00 H new ATOM 0 HE2 TYR A 25 28.086 8.398 25.103 1.00 0.00 H new ATOM 0 HH TYR A 25 27.485 10.066 23.886 1.00 0.00 H new ATOM 281 N GLU A 26 29.504 1.470 24.035 1.00 0.00 N ATOM 282 CA GLU A 26 30.116 0.184 24.323 1.00 0.00 C ATOM 283 C GLU A 26 29.339 -0.940 23.635 1.00 0.00 C ATOM 284 O GLU A 26 29.792 -2.083 23.604 1.00 0.00 O ATOM 285 CB GLU A 26 30.205 -0.055 25.832 1.00 0.00 C ATOM 286 CG GLU A 26 31.427 0.647 26.428 1.00 0.00 C ATOM 287 CD GLU A 26 31.030 1.520 27.620 1.00 0.00 C ATOM 288 OE1 GLU A 26 30.616 2.672 27.368 1.00 0.00 O ATOM 289 OE2 GLU A 26 31.151 1.015 28.758 1.00 0.00 O ATOM 0 H GLU A 26 28.770 1.749 24.686 1.00 0.00 H new ATOM 0 HA GLU A 26 31.132 0.191 23.929 1.00 0.00 H new ATOM 0 HB2 GLU A 26 29.299 0.311 26.316 1.00 0.00 H new ATOM 0 HB3 GLU A 26 30.263 -1.125 26.031 1.00 0.00 H new ATOM 0 HG2 GLU A 26 32.159 -0.096 26.744 1.00 0.00 H new ATOM 0 HG3 GLU A 26 31.906 1.262 25.666 1.00 0.00 H new ATOM 296 N ALA A 27 28.183 -0.575 23.100 1.00 0.00 N ATOM 297 CA ALA A 27 27.340 -1.539 22.414 1.00 0.00 C ATOM 298 C ALA A 27 27.161 -1.108 20.956 1.00 0.00 C ATOM 299 O ALA A 27 26.352 -0.230 20.660 1.00 0.00 O ATOM 300 CB ALA A 27 26.005 -1.666 23.151 1.00 0.00 C ATOM 0 H ALA A 27 27.811 0.374 23.128 1.00 0.00 H new ATOM 0 HA ALA A 27 27.807 -2.524 22.412 1.00 0.00 H new ATOM 0 HB1 ALA A 27 25.373 -2.389 22.636 1.00 0.00 H new ATOM 0 HB2 ALA A 27 26.184 -2.002 24.172 1.00 0.00 H new ATOM 0 HB3 ALA A 27 25.506 -0.697 23.170 1.00 0.00 H new ATOM 306 N THR A 28 27.931 -1.745 20.086 1.00 0.00 N ATOM 307 CA THR A 28 27.868 -1.438 18.667 1.00 0.00 C ATOM 308 C THR A 28 26.837 -2.331 17.973 1.00 0.00 C ATOM 309 O THR A 28 26.276 -3.234 18.592 1.00 0.00 O ATOM 310 CB THR A 28 29.278 -1.577 18.090 1.00 0.00 C ATOM 311 OG1 THR A 28 29.463 -2.984 17.959 1.00 0.00 O ATOM 312 CG2 THR A 28 30.361 -1.150 19.083 1.00 0.00 C ATOM 0 H THR A 28 28.601 -2.472 20.336 1.00 0.00 H new ATOM 0 HA THR A 28 27.531 -0.415 18.499 1.00 0.00 H new ATOM 0 HB THR A 28 29.360 -0.978 17.183 1.00 0.00 H new ATOM 0 HG1 THR A 28 30.353 -3.164 17.589 1.00 0.00 H new ATOM 0 HG21 THR A 28 31.343 -1.268 18.624 1.00 0.00 H new ATOM 0 HG22 THR A 28 30.212 -0.106 19.357 1.00 0.00 H new ATOM 0 HG23 THR A 28 30.301 -1.772 19.976 1.00 0.00 H new ATOM 320 N GLU A 29 26.619 -2.048 16.698 1.00 0.00 N ATOM 321 CA GLU A 29 25.666 -2.814 15.913 1.00 0.00 C ATOM 322 C GLU A 29 26.049 -4.296 15.912 1.00 0.00 C ATOM 323 O GLU A 29 25.183 -5.164 15.816 1.00 0.00 O ATOM 324 CB GLU A 29 25.569 -2.272 14.486 1.00 0.00 C ATOM 325 CG GLU A 29 24.332 -1.388 14.318 1.00 0.00 C ATOM 326 CD GLU A 29 23.872 -1.359 12.859 1.00 0.00 C ATOM 327 OE1 GLU A 29 23.842 -2.451 12.252 1.00 0.00 O ATOM 328 OE2 GLU A 29 23.562 -0.245 12.384 1.00 0.00 O ATOM 0 H GLU A 29 27.086 -1.298 16.188 1.00 0.00 H new ATOM 0 HA GLU A 29 24.683 -2.713 16.372 1.00 0.00 H new ATOM 0 HB2 GLU A 29 26.465 -1.698 14.249 1.00 0.00 H new ATOM 0 HB3 GLU A 29 25.526 -3.102 13.780 1.00 0.00 H new ATOM 0 HG2 GLU A 29 23.526 -1.761 14.950 1.00 0.00 H new ATOM 0 HG3 GLU A 29 24.556 -0.375 14.652 1.00 0.00 H new ATOM 335 N GLU A 30 27.347 -4.539 16.021 1.00 0.00 N ATOM 336 CA GLU A 30 27.855 -5.900 16.034 1.00 0.00 C ATOM 337 C GLU A 30 27.272 -6.673 17.218 1.00 0.00 C ATOM 338 O GLU A 30 27.036 -7.877 17.123 1.00 0.00 O ATOM 339 CB GLU A 30 29.384 -5.914 16.069 1.00 0.00 C ATOM 340 CG GLU A 30 29.946 -6.940 15.083 1.00 0.00 C ATOM 341 CD GLU A 30 31.434 -6.695 14.825 1.00 0.00 C ATOM 342 OE1 GLU A 30 32.209 -6.837 15.795 1.00 0.00 O ATOM 343 OE2 GLU A 30 31.763 -6.371 13.663 1.00 0.00 O ATOM 0 H GLU A 30 28.062 -3.816 16.101 1.00 0.00 H new ATOM 0 HA GLU A 30 27.541 -6.393 15.114 1.00 0.00 H new ATOM 0 HB2 GLU A 30 29.766 -4.923 15.825 1.00 0.00 H new ATOM 0 HB3 GLU A 30 29.726 -6.148 17.077 1.00 0.00 H new ATOM 0 HG2 GLU A 30 29.803 -7.946 15.478 1.00 0.00 H new ATOM 0 HG3 GLU A 30 29.397 -6.885 14.143 1.00 0.00 H new ATOM 350 N GLN A 31 27.056 -5.950 18.307 1.00 0.00 N ATOM 351 CA GLN A 31 26.505 -6.552 19.509 1.00 0.00 C ATOM 352 C GLN A 31 24.977 -6.470 19.491 1.00 0.00 C ATOM 353 O GLN A 31 24.296 -7.447 19.800 1.00 0.00 O ATOM 354 CB GLN A 31 27.075 -5.891 20.765 1.00 0.00 C ATOM 355 CG GLN A 31 28.561 -6.216 20.930 1.00 0.00 C ATOM 356 CD GLN A 31 28.897 -6.519 22.392 1.00 0.00 C ATOM 357 OE1 GLN A 31 28.617 -7.587 22.911 1.00 0.00 O ATOM 358 NE2 GLN A 31 29.511 -5.523 23.023 1.00 0.00 N ATOM 0 H GLN A 31 27.253 -4.952 18.382 1.00 0.00 H new ATOM 0 HA GLN A 31 26.793 -7.603 19.530 1.00 0.00 H new ATOM 0 HB2 GLN A 31 26.940 -4.811 20.705 1.00 0.00 H new ATOM 0 HB3 GLN A 31 26.525 -6.233 21.642 1.00 0.00 H new ATOM 0 HG2 GLN A 31 28.821 -7.073 20.308 1.00 0.00 H new ATOM 0 HG3 GLN A 31 29.162 -5.376 20.582 1.00 0.00 H new ATOM 0 HE21 GLN A 31 29.716 -4.655 22.528 1.00 0.00 H new ATOM 0 HE22 GLN A 31 29.778 -5.627 24.002 1.00 0.00 H new ATOM 367 N LEU A 32 24.483 -5.296 19.128 1.00 0.00 N ATOM 368 CA LEU A 32 23.049 -5.074 19.066 1.00 0.00 C ATOM 369 C LEU A 32 22.419 -6.098 18.120 1.00 0.00 C ATOM 370 O LEU A 32 21.429 -6.741 18.465 1.00 0.00 O ATOM 371 CB LEU A 32 22.747 -3.622 18.690 1.00 0.00 C ATOM 372 CG LEU A 32 23.098 -2.569 19.743 1.00 0.00 C ATOM 373 CD1 LEU A 32 23.436 -3.226 21.083 1.00 0.00 C ATOM 374 CD2 LEU A 32 24.223 -1.656 19.253 1.00 0.00 C ATOM 0 H LEU A 32 25.051 -4.488 18.874 1.00 0.00 H new ATOM 0 HA LEU A 32 22.598 -5.225 20.047 1.00 0.00 H new ATOM 0 HB2 LEU A 32 23.288 -3.385 17.774 1.00 0.00 H new ATOM 0 HB3 LEU A 32 21.684 -3.540 18.463 1.00 0.00 H new ATOM 0 HG LEU A 32 22.221 -1.941 19.903 1.00 0.00 H new ATOM 0 HD11 LEU A 32 23.682 -2.456 21.814 1.00 0.00 H new ATOM 0 HD12 LEU A 32 22.578 -3.799 21.434 1.00 0.00 H new ATOM 0 HD13 LEU A 32 24.290 -3.892 20.957 1.00 0.00 H new ATOM 0 HD21 LEU A 32 24.452 -0.917 20.021 1.00 0.00 H new ATOM 0 HD22 LEU A 32 25.112 -2.252 19.046 1.00 0.00 H new ATOM 0 HD23 LEU A 32 23.908 -1.147 18.342 1.00 0.00 H new ATOM 386 N LYS A 33 23.019 -6.218 16.944 1.00 0.00 N ATOM 387 CA LYS A 33 22.529 -7.153 15.946 1.00 0.00 C ATOM 388 C LYS A 33 22.603 -8.575 16.505 1.00 0.00 C ATOM 389 O LYS A 33 21.718 -9.391 16.255 1.00 0.00 O ATOM 390 CB LYS A 33 23.282 -6.971 14.627 1.00 0.00 C ATOM 391 CG LYS A 33 22.413 -7.384 13.437 1.00 0.00 C ATOM 392 CD LYS A 33 22.685 -6.494 12.223 1.00 0.00 C ATOM 393 CE LYS A 33 24.083 -6.753 11.656 1.00 0.00 C ATOM 394 NZ LYS A 33 25.065 -5.822 12.255 1.00 0.00 N ATOM 0 H LYS A 33 23.840 -5.683 16.661 1.00 0.00 H new ATOM 0 HA LYS A 33 21.482 -6.954 15.719 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.584 -5.929 14.517 1.00 0.00 H new ATOM 0 HB3 LYS A 33 24.194 -7.567 14.640 1.00 0.00 H new ATOM 0 HG2 LYS A 33 22.612 -8.425 13.181 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.360 -7.319 13.711 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.936 -6.683 11.454 1.00 0.00 H new ATOM 0 HD3 LYS A 33 22.592 -5.446 12.508 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.379 -7.782 11.858 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.071 -6.631 10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.761 -5.541 11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.572 -4.977 12.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.553 -6.293 13.044 1.00 0.00 H new ATOM 408 N ASP A 34 23.668 -8.828 17.253 1.00 0.00 N ATOM 409 CA ASP A 34 23.869 -10.137 17.849 1.00 0.00 C ATOM 410 C ASP A 34 22.761 -10.403 18.870 1.00 0.00 C ATOM 411 O ASP A 34 22.251 -11.519 18.962 1.00 0.00 O ATOM 412 CB ASP A 34 25.211 -10.209 18.580 1.00 0.00 C ATOM 413 CG ASP A 34 26.000 -11.501 18.356 1.00 0.00 C ATOM 414 OD1 ASP A 34 25.340 -12.536 18.121 1.00 0.00 O ATOM 415 OD2 ASP A 34 27.246 -11.424 18.426 1.00 0.00 O ATOM 0 H ASP A 34 24.400 -8.148 17.459 1.00 0.00 H new ATOM 0 HA ASP A 34 23.853 -10.878 17.049 1.00 0.00 H new ATOM 0 HB2 ASP A 34 25.826 -9.366 18.264 1.00 0.00 H new ATOM 0 HB3 ASP A 34 25.033 -10.090 19.649 1.00 0.00 H new ATOM 420 N ILE A 35 22.420 -9.360 19.612 1.00 0.00 N ATOM 421 CA ILE A 35 21.382 -9.467 20.623 1.00 0.00 C ATOM 422 C ILE A 35 20.030 -9.676 19.938 1.00 0.00 C ATOM 423 O ILE A 35 19.254 -10.542 20.339 1.00 0.00 O ATOM 424 CB ILE A 35 21.417 -8.256 21.557 1.00 0.00 C ATOM 425 CG1 ILE A 35 22.812 -8.066 22.156 1.00 0.00 C ATOM 426 CG2 ILE A 35 20.339 -8.366 22.638 1.00 0.00 C ATOM 427 CD1 ILE A 35 23.159 -6.581 22.277 1.00 0.00 C ATOM 0 H ILE A 35 22.845 -8.436 19.533 1.00 0.00 H new ATOM 0 HA ILE A 35 21.556 -10.335 21.258 1.00 0.00 H new ATOM 0 HB ILE A 35 21.195 -7.365 20.970 1.00 0.00 H new ATOM 0 HG12 ILE A 35 22.856 -8.535 23.139 1.00 0.00 H new ATOM 0 HG13 ILE A 35 23.551 -8.566 21.531 1.00 0.00 H new ATOM 0 HG21 ILE A 35 20.386 -7.493 23.288 1.00 0.00 H new ATOM 0 HG22 ILE A 35 19.357 -8.417 22.168 1.00 0.00 H new ATOM 0 HG23 ILE A 35 20.506 -9.267 23.228 1.00 0.00 H new ATOM 0 HD11 ILE A 35 24.156 -6.474 22.705 1.00 0.00 H new ATOM 0 HD12 ILE A 35 23.137 -6.121 21.289 1.00 0.00 H new ATOM 0 HD13 ILE A 35 22.432 -6.089 22.923 1.00 0.00 H new ATOM 439 N PHE A 36 19.788 -8.867 18.916 1.00 0.00 N ATOM 440 CA PHE A 36 18.543 -8.953 18.172 1.00 0.00 C ATOM 441 C PHE A 36 18.458 -10.268 17.395 1.00 0.00 C ATOM 442 O PHE A 36 17.367 -10.783 17.157 1.00 0.00 O ATOM 443 CB PHE A 36 18.533 -7.787 17.182 1.00 0.00 C ATOM 444 CG PHE A 36 17.856 -6.523 17.716 1.00 0.00 C ATOM 445 CD1 PHE A 36 18.218 -6.017 18.925 1.00 0.00 C ATOM 446 CD2 PHE A 36 16.893 -5.905 16.981 1.00 0.00 C ATOM 447 CE1 PHE A 36 17.591 -4.843 19.421 1.00 0.00 C ATOM 448 CE2 PHE A 36 16.266 -4.731 17.476 1.00 0.00 C ATOM 449 CZ PHE A 36 16.628 -4.225 18.686 1.00 0.00 C ATOM 0 H PHE A 36 20.433 -8.149 18.586 1.00 0.00 H new ATOM 0 HA PHE A 36 17.696 -8.912 18.857 1.00 0.00 H new ATOM 0 HB2 PHE A 36 19.560 -7.548 16.907 1.00 0.00 H new ATOM 0 HB3 PHE A 36 18.024 -8.102 16.271 1.00 0.00 H new ATOM 0 HD1 PHE A 36 18.983 -6.508 19.508 1.00 0.00 H new ATOM 0 HD2 PHE A 36 16.605 -6.307 16.021 1.00 0.00 H new ATOM 0 HE1 PHE A 36 17.879 -4.441 20.381 1.00 0.00 H new ATOM 0 HE2 PHE A 36 15.502 -4.240 16.892 1.00 0.00 H new ATOM 0 HZ PHE A 36 16.151 -3.333 19.063 1.00 0.00 H new ATOM 459 N SER A 37 19.624 -10.773 17.020 1.00 0.00 N ATOM 460 CA SER A 37 19.696 -12.018 16.275 1.00 0.00 C ATOM 461 C SER A 37 19.147 -13.168 17.122 1.00 0.00 C ATOM 462 O SER A 37 18.477 -14.060 16.604 1.00 0.00 O ATOM 463 CB SER A 37 21.132 -12.318 15.839 1.00 0.00 C ATOM 464 OG SER A 37 21.936 -12.767 16.926 1.00 0.00 O ATOM 0 H SER A 37 20.527 -10.342 17.218 1.00 0.00 H new ATOM 0 HA SER A 37 19.087 -11.914 15.377 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.123 -13.077 15.057 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.575 -11.421 15.407 1.00 0.00 H new ATOM 0 HG SER A 37 21.770 -12.203 17.710 1.00 0.00 H new ATOM 470 N GLU A 38 19.452 -13.109 18.410 1.00 0.00 N ATOM 471 CA GLU A 38 18.998 -14.134 19.334 1.00 0.00 C ATOM 472 C GLU A 38 17.471 -14.118 19.436 1.00 0.00 C ATOM 473 O GLU A 38 16.872 -15.042 19.984 1.00 0.00 O ATOM 474 CB GLU A 38 19.642 -13.956 20.710 1.00 0.00 C ATOM 475 CG GLU A 38 18.732 -13.153 21.641 1.00 0.00 C ATOM 476 CD GLU A 38 19.529 -12.546 22.798 1.00 0.00 C ATOM 477 OE1 GLU A 38 20.483 -11.795 22.497 1.00 0.00 O ATOM 478 OE2 GLU A 38 19.167 -12.846 23.956 1.00 0.00 O ATOM 0 H GLU A 38 20.008 -12.367 18.835 1.00 0.00 H new ATOM 0 HA GLU A 38 19.306 -15.106 18.949 1.00 0.00 H new ATOM 0 HB2 GLU A 38 19.847 -14.933 21.149 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.600 -13.447 20.604 1.00 0.00 H new ATOM 0 HG2 GLU A 38 18.239 -12.360 21.079 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.947 -13.799 22.035 1.00 0.00 H new ATOM 485 N VAL A 39 16.885 -13.058 18.900 1.00 0.00 N ATOM 486 CA VAL A 39 15.440 -12.909 18.924 1.00 0.00 C ATOM 487 C VAL A 39 14.876 -13.228 17.538 1.00 0.00 C ATOM 488 O VAL A 39 13.687 -13.033 17.288 1.00 0.00 O ATOM 489 CB VAL A 39 15.066 -11.509 19.414 1.00 0.00 C ATOM 490 CG1 VAL A 39 13.656 -11.494 20.007 1.00 0.00 C ATOM 491 CG2 VAL A 39 16.091 -10.990 20.424 1.00 0.00 C ATOM 0 H VAL A 39 17.385 -12.293 18.446 1.00 0.00 H new ATOM 0 HA VAL A 39 14.995 -13.614 19.626 1.00 0.00 H new ATOM 0 HB VAL A 39 15.075 -10.840 18.554 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.415 -10.487 20.348 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.938 -11.801 19.246 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.609 -12.183 20.850 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.802 -9.993 20.756 1.00 0.00 H new ATOM 0 HG22 VAL A 39 16.129 -11.662 21.282 1.00 0.00 H new ATOM 0 HG23 VAL A 39 17.074 -10.945 19.955 1.00 0.00 H new ATOM 501 N GLY A 40 15.755 -13.712 16.673 1.00 0.00 N ATOM 502 CA GLY A 40 15.359 -14.059 15.319 1.00 0.00 C ATOM 503 C GLY A 40 16.394 -13.571 14.303 1.00 0.00 C ATOM 504 O GLY A 40 17.420 -13.007 14.679 1.00 0.00 O ATOM 0 H GLY A 40 16.740 -13.872 16.884 1.00 0.00 H new ATOM 0 HA2 GLY A 40 15.244 -15.140 15.236 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.388 -13.617 15.096 1.00 0.00 H new ATOM 508 N PRO A 41 16.080 -13.812 13.002 1.00 0.00 N ATOM 509 CA PRO A 41 16.970 -13.403 11.929 1.00 0.00 C ATOM 510 C PRO A 41 16.898 -11.891 11.703 1.00 0.00 C ATOM 511 O PRO A 41 15.825 -11.350 11.443 1.00 0.00 O ATOM 512 CB PRO A 41 16.523 -14.207 10.719 1.00 0.00 C ATOM 513 CG PRO A 41 15.115 -14.685 11.033 1.00 0.00 C ATOM 514 CD PRO A 41 14.873 -14.477 12.519 1.00 0.00 C ATOM 0 HA PRO A 41 18.018 -13.598 12.155 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.536 -13.595 9.817 1.00 0.00 H new ATOM 0 HB3 PRO A 41 17.191 -15.050 10.542 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.384 -14.130 10.446 1.00 0.00 H new ATOM 0 HG3 PRO A 41 15.002 -15.737 10.771 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.987 -13.866 12.694 1.00 0.00 H new ATOM 0 HD3 PRO A 41 14.712 -15.426 13.031 1.00 0.00 H new ATOM 522 N VAL A 42 18.054 -11.253 11.809 1.00 0.00 N ATOM 523 CA VAL A 42 18.136 -9.815 11.620 1.00 0.00 C ATOM 524 C VAL A 42 18.392 -9.514 10.142 1.00 0.00 C ATOM 525 O VAL A 42 19.377 -9.979 9.571 1.00 0.00 O ATOM 526 CB VAL A 42 19.203 -9.225 12.544 1.00 0.00 C ATOM 527 CG1 VAL A 42 19.266 -7.702 12.406 1.00 0.00 C ATOM 528 CG2 VAL A 42 18.957 -9.634 13.997 1.00 0.00 C ATOM 0 H VAL A 42 18.942 -11.706 12.024 1.00 0.00 H new ATOM 0 HA VAL A 42 17.193 -9.340 11.891 1.00 0.00 H new ATOM 0 HB VAL A 42 20.169 -9.629 12.241 1.00 0.00 H new ATOM 0 HG11 VAL A 42 20.032 -7.308 13.073 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.511 -7.440 11.377 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.299 -7.273 12.669 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.730 -9.201 14.633 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.980 -9.272 14.316 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.986 -10.721 14.079 1.00 0.00 H new ATOM 538 N VAL A 43 17.487 -8.737 9.563 1.00 0.00 N ATOM 539 CA VAL A 43 17.603 -8.368 8.163 1.00 0.00 C ATOM 540 C VAL A 43 18.607 -7.223 8.023 1.00 0.00 C ATOM 541 O VAL A 43 19.692 -7.407 7.473 1.00 0.00 O ATOM 542 CB VAL A 43 16.224 -8.027 7.596 1.00 0.00 C ATOM 543 CG1 VAL A 43 16.343 -7.096 6.387 1.00 0.00 C ATOM 544 CG2 VAL A 43 15.449 -9.296 7.237 1.00 0.00 C ATOM 0 H VAL A 43 16.670 -8.353 10.039 1.00 0.00 H new ATOM 0 HA VAL A 43 17.982 -9.206 7.578 1.00 0.00 H new ATOM 0 HB VAL A 43 15.665 -7.501 8.370 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.348 -6.869 6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.836 -6.171 6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 43 16.930 -7.584 5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.472 -9.025 6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.004 -9.862 6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.318 -9.907 8.130 1.00 0.00 H new ATOM 554 N SER A 44 18.210 -6.065 8.530 1.00 0.00 N ATOM 555 CA SER A 44 19.062 -4.889 8.468 1.00 0.00 C ATOM 556 C SER A 44 19.058 -4.169 9.818 1.00 0.00 C ATOM 557 O SER A 44 18.259 -4.492 10.696 1.00 0.00 O ATOM 558 CB SER A 44 18.609 -3.938 7.358 1.00 0.00 C ATOM 559 OG SER A 44 19.685 -3.570 6.499 1.00 0.00 O ATOM 0 H SER A 44 17.310 -5.916 8.986 1.00 0.00 H new ATOM 0 HA SER A 44 20.077 -5.214 8.239 1.00 0.00 H new ATOM 0 HB2 SER A 44 17.823 -4.414 6.771 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.177 -3.041 7.802 1.00 0.00 H new ATOM 0 HG SER A 44 19.355 -2.964 5.803 1.00 0.00 H new ATOM 565 N PHE A 45 19.961 -3.207 9.942 1.00 0.00 N ATOM 566 CA PHE A 45 20.072 -2.439 11.170 1.00 0.00 C ATOM 567 C PHE A 45 21.025 -1.255 10.992 1.00 0.00 C ATOM 568 O PHE A 45 22.224 -1.443 10.797 1.00 0.00 O ATOM 569 CB PHE A 45 20.639 -3.379 12.236 1.00 0.00 C ATOM 570 CG PHE A 45 20.326 -2.952 13.672 1.00 0.00 C ATOM 571 CD1 PHE A 45 20.067 -1.647 13.952 1.00 0.00 C ATOM 572 CD2 PHE A 45 20.306 -3.879 14.667 1.00 0.00 C ATOM 573 CE1 PHE A 45 19.777 -1.251 15.285 1.00 0.00 C ATOM 574 CE2 PHE A 45 20.016 -3.483 16.000 1.00 0.00 C ATOM 575 CZ PHE A 45 19.757 -2.178 16.280 1.00 0.00 C ATOM 0 H PHE A 45 20.622 -2.942 9.212 1.00 0.00 H new ATOM 0 HA PHE A 45 19.095 -2.046 11.452 1.00 0.00 H new ATOM 0 HB2 PHE A 45 20.242 -4.381 12.071 1.00 0.00 H new ATOM 0 HB3 PHE A 45 21.720 -3.441 12.114 1.00 0.00 H new ATOM 0 HD1 PHE A 45 20.082 -0.912 13.161 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.511 -4.916 14.444 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.572 -0.214 15.508 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.001 -4.218 16.791 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.535 -1.877 17.293 1.00 0.00 H new ATOM 585 N ARG A 46 20.454 -0.061 11.066 1.00 0.00 N ATOM 586 CA ARG A 46 21.238 1.153 10.915 1.00 0.00 C ATOM 587 C ARG A 46 20.926 2.130 12.051 1.00 0.00 C ATOM 588 O ARG A 46 19.762 2.356 12.378 1.00 0.00 O ATOM 589 CB ARG A 46 20.950 1.832 9.574 1.00 0.00 C ATOM 590 CG ARG A 46 21.608 1.070 8.422 1.00 0.00 C ATOM 591 CD ARG A 46 23.086 1.444 8.291 1.00 0.00 C ATOM 592 NE ARG A 46 23.491 1.415 6.868 1.00 0.00 N ATOM 593 CZ ARG A 46 22.976 2.214 5.924 1.00 0.00 C ATOM 594 NH1 ARG A 46 22.033 3.110 6.246 1.00 0.00 N ATOM 595 NH2 ARG A 46 23.404 2.118 4.657 1.00 0.00 N ATOM 0 H ARG A 46 19.459 0.091 11.228 1.00 0.00 H new ATOM 0 HA ARG A 46 22.291 0.874 10.949 1.00 0.00 H new ATOM 0 HB2 ARG A 46 19.873 1.884 9.412 1.00 0.00 H new ATOM 0 HB3 ARG A 46 21.319 2.857 9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 46 21.514 -0.003 8.590 1.00 0.00 H new ATOM 0 HG3 ARG A 46 21.089 1.293 7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 46 23.256 2.437 8.706 1.00 0.00 H new ATOM 0 HD3 ARG A 46 23.698 0.749 8.866 1.00 0.00 H new ATOM 0 HE ARG A 46 24.207 0.745 6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 46 21.707 3.184 7.210 1.00 0.00 H new ATOM 0 HH12 ARG A 46 21.641 3.718 5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 46 24.122 1.436 4.412 1.00 0.00 H new ATOM 0 HH22 ARG A 46 23.012 2.727 3.939 1.00 0.00 H new ATOM 609 N LEU A 47 21.987 2.684 12.619 1.00 0.00 N ATOM 610 CA LEU A 47 21.841 3.632 13.711 1.00 0.00 C ATOM 611 C LEU A 47 22.241 5.027 13.227 1.00 0.00 C ATOM 612 O LEU A 47 22.828 5.171 12.155 1.00 0.00 O ATOM 613 CB LEU A 47 22.623 3.160 14.939 1.00 0.00 C ATOM 614 CG LEU A 47 23.325 1.807 14.807 1.00 0.00 C ATOM 615 CD1 LEU A 47 24.678 1.957 14.109 1.00 0.00 C ATOM 616 CD2 LEU A 47 23.455 1.122 16.169 1.00 0.00 C ATOM 0 H LEU A 47 22.951 2.495 12.344 1.00 0.00 H new ATOM 0 HA LEU A 47 20.800 3.690 14.028 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.372 3.914 15.180 1.00 0.00 H new ATOM 0 HB3 LEU A 47 21.937 3.110 15.785 1.00 0.00 H new ATOM 0 HG LEU A 47 22.709 1.162 14.180 1.00 0.00 H new ATOM 0 HD11 LEU A 47 25.156 0.981 14.028 1.00 0.00 H new ATOM 0 HD12 LEU A 47 24.529 2.372 13.112 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.314 2.625 14.689 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.957 0.162 16.047 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.037 1.754 16.840 1.00 0.00 H new ATOM 0 HD23 LEU A 47 22.463 0.961 16.592 1.00 0.00 H new ATOM 628 N VAL A 48 21.907 6.019 14.039 1.00 0.00 N ATOM 629 CA VAL A 48 22.224 7.398 13.707 1.00 0.00 C ATOM 630 C VAL A 48 23.638 7.723 14.193 1.00 0.00 C ATOM 631 O VAL A 48 23.931 7.609 15.382 1.00 0.00 O ATOM 632 CB VAL A 48 21.162 8.333 14.288 1.00 0.00 C ATOM 633 CG1 VAL A 48 19.882 8.297 13.451 1.00 0.00 C ATOM 634 CG2 VAL A 48 20.872 7.991 15.751 1.00 0.00 C ATOM 0 H VAL A 48 21.420 5.895 14.927 1.00 0.00 H new ATOM 0 HA VAL A 48 22.210 7.544 12.627 1.00 0.00 H new ATOM 0 HB VAL A 48 21.555 9.349 14.254 1.00 0.00 H new ATOM 0 HG11 VAL A 48 19.144 8.971 13.886 1.00 0.00 H new ATOM 0 HG12 VAL A 48 20.105 8.612 12.432 1.00 0.00 H new ATOM 0 HG13 VAL A 48 19.484 7.282 13.438 1.00 0.00 H new ATOM 0 HG21 VAL A 48 20.114 8.670 16.140 1.00 0.00 H new ATOM 0 HG22 VAL A 48 20.510 6.965 15.820 1.00 0.00 H new ATOM 0 HG23 VAL A 48 21.786 8.093 16.337 1.00 0.00 H new ATOM 644 N TYR A 49 24.477 8.120 13.248 1.00 0.00 N ATOM 645 CA TYR A 49 25.853 8.463 13.564 1.00 0.00 C ATOM 646 C TYR A 49 26.182 9.887 13.112 1.00 0.00 C ATOM 647 O TYR A 49 26.106 10.198 11.924 1.00 0.00 O ATOM 648 CB TYR A 49 26.724 7.478 12.782 1.00 0.00 C ATOM 649 CG TYR A 49 27.359 6.386 13.645 1.00 0.00 C ATOM 650 CD1 TYR A 49 28.598 6.592 14.217 1.00 0.00 C ATOM 651 CD2 TYR A 49 26.693 5.195 13.852 1.00 0.00 C ATOM 652 CE1 TYR A 49 29.195 5.565 15.030 1.00 0.00 C ATOM 653 CE2 TYR A 49 27.290 4.168 14.665 1.00 0.00 C ATOM 654 CZ TYR A 49 28.512 4.403 15.214 1.00 0.00 C ATOM 655 OH TYR A 49 29.077 3.433 15.982 1.00 0.00 O ATOM 0 H TYR A 49 24.230 8.212 12.263 1.00 0.00 H new ATOM 0 HA TYR A 49 26.024 8.410 14.639 1.00 0.00 H new ATOM 0 HB2 TYR A 49 26.117 7.008 12.008 1.00 0.00 H new ATOM 0 HB3 TYR A 49 27.514 8.031 12.275 1.00 0.00 H new ATOM 0 HD1 TYR A 49 29.120 7.524 14.055 1.00 0.00 H new ATOM 0 HD2 TYR A 49 25.724 5.034 13.404 1.00 0.00 H new ATOM 0 HE1 TYR A 49 30.164 5.714 15.484 1.00 0.00 H new ATOM 0 HE2 TYR A 49 26.779 3.232 14.835 1.00 0.00 H new ATOM 0 HH TYR A 49 28.476 2.660 16.027 1.00 0.00 H new ATOM 665 N ASP A 50 26.541 10.714 14.082 1.00 0.00 N ATOM 666 CA ASP A 50 26.882 12.098 13.799 1.00 0.00 C ATOM 667 C ASP A 50 28.222 12.148 13.063 1.00 0.00 C ATOM 668 O ASP A 50 29.269 11.891 13.654 1.00 0.00 O ATOM 669 CB ASP A 50 27.021 12.907 15.090 1.00 0.00 C ATOM 670 CG ASP A 50 25.730 13.067 15.895 1.00 0.00 C ATOM 671 OD1 ASP A 50 24.691 13.334 15.254 1.00 0.00 O ATOM 672 OD2 ASP A 50 25.812 12.918 17.134 1.00 0.00 O ATOM 0 H ASP A 50 26.603 10.452 15.066 1.00 0.00 H new ATOM 0 HA ASP A 50 26.084 12.524 13.191 1.00 0.00 H new ATOM 0 HB2 ASP A 50 27.769 12.428 15.722 1.00 0.00 H new ATOM 0 HB3 ASP A 50 27.401 13.898 14.841 1.00 0.00 H new ATOM 677 N ARG A 51 28.146 12.480 11.782 1.00 0.00 N ATOM 678 CA ARG A 51 29.340 12.567 10.959 1.00 0.00 C ATOM 679 C ARG A 51 30.143 13.818 11.320 1.00 0.00 C ATOM 680 O ARG A 51 31.367 13.833 11.192 1.00 0.00 O ATOM 681 CB ARG A 51 28.982 12.611 9.472 1.00 0.00 C ATOM 682 CG ARG A 51 28.535 11.234 8.976 1.00 0.00 C ATOM 683 CD ARG A 51 28.185 11.276 7.487 1.00 0.00 C ATOM 684 NE ARG A 51 26.832 10.715 7.269 1.00 0.00 N ATOM 685 CZ ARG A 51 26.137 10.850 6.132 1.00 0.00 C ATOM 686 NH1 ARG A 51 26.662 11.529 5.103 1.00 0.00 N ATOM 687 NH2 ARG A 51 24.917 10.308 6.024 1.00 0.00 N ATOM 0 H ARG A 51 27.276 12.692 11.294 1.00 0.00 H new ATOM 0 HA ARG A 51 29.940 11.678 11.150 1.00 0.00 H new ATOM 0 HB2 ARG A 51 28.186 13.337 9.307 1.00 0.00 H new ATOM 0 HB3 ARG A 51 29.844 12.947 8.896 1.00 0.00 H new ATOM 0 HG2 ARG A 51 29.329 10.507 9.147 1.00 0.00 H new ATOM 0 HG3 ARG A 51 27.669 10.901 9.548 1.00 0.00 H new ATOM 0 HD2 ARG A 51 28.225 12.303 7.125 1.00 0.00 H new ATOM 0 HD3 ARG A 51 28.920 10.708 6.916 1.00 0.00 H new ATOM 0 HE ARG A 51 26.402 10.193 8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 51 27.591 11.943 5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 51 26.133 11.632 4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 51 24.517 9.792 6.808 1.00 0.00 H new ATOM 0 HH22 ARG A 51 24.388 10.411 5.158 1.00 0.00 H new ATOM 701 N GLU A 52 29.423 14.838 11.764 1.00 0.00 N ATOM 702 CA GLU A 52 30.054 16.090 12.145 1.00 0.00 C ATOM 703 C GLU A 52 30.842 15.915 13.444 1.00 0.00 C ATOM 704 O GLU A 52 31.867 16.564 13.645 1.00 0.00 O ATOM 705 CB GLU A 52 29.017 17.207 12.280 1.00 0.00 C ATOM 706 CG GLU A 52 28.847 17.961 10.959 1.00 0.00 C ATOM 707 CD GLU A 52 29.999 18.943 10.737 1.00 0.00 C ATOM 708 OE1 GLU A 52 29.965 20.013 11.382 1.00 0.00 O ATOM 709 OE2 GLU A 52 30.888 18.602 9.927 1.00 0.00 O ATOM 0 H GLU A 52 28.408 14.823 11.868 1.00 0.00 H new ATOM 0 HA GLU A 52 30.750 16.377 11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 52 28.060 16.785 12.587 1.00 0.00 H new ATOM 0 HB3 GLU A 52 29.325 17.901 13.062 1.00 0.00 H new ATOM 0 HG2 GLU A 52 28.805 17.251 10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 52 27.900 18.501 10.963 1.00 0.00 H new ATOM 716 N THR A 53 30.334 15.033 14.292 1.00 0.00 N ATOM 717 CA THR A 53 30.979 14.763 15.567 1.00 0.00 C ATOM 718 C THR A 53 31.665 13.396 15.539 1.00 0.00 C ATOM 719 O THR A 53 32.339 13.016 16.495 1.00 0.00 O ATOM 720 CB THR A 53 29.923 14.891 16.666 1.00 0.00 C ATOM 721 OG1 THR A 53 29.727 16.296 16.799 1.00 0.00 O ATOM 722 CG2 THR A 53 30.449 14.457 18.036 1.00 0.00 C ATOM 0 H THR A 53 29.484 14.496 14.122 1.00 0.00 H new ATOM 0 HA THR A 53 31.771 15.484 15.771 1.00 0.00 H new ATOM 0 HB THR A 53 29.052 14.290 16.404 1.00 0.00 H new ATOM 0 HG1 THR A 53 29.055 16.468 17.491 1.00 0.00 H new ATOM 0 HG21 THR A 53 29.660 14.567 18.780 1.00 0.00 H new ATOM 0 HG22 THR A 53 30.763 13.414 17.992 1.00 0.00 H new ATOM 0 HG23 THR A 53 31.299 15.080 18.313 1.00 0.00 H new ATOM 730 N GLY A 54 31.470 12.694 14.432 1.00 0.00 N ATOM 731 CA GLY A 54 32.062 11.378 14.267 1.00 0.00 C ATOM 732 C GLY A 54 31.685 10.458 15.430 1.00 0.00 C ATOM 733 O GLY A 54 32.321 9.426 15.641 1.00 0.00 O ATOM 0 H GLY A 54 30.910 13.012 13.641 1.00 0.00 H new ATOM 0 HA2 GLY A 54 31.726 10.939 13.328 1.00 0.00 H new ATOM 0 HA3 GLY A 54 33.147 11.468 14.207 1.00 0.00 H new ATOM 737 N LYS A 55 30.652 10.864 16.153 1.00 0.00 N ATOM 738 CA LYS A 55 30.183 10.089 17.289 1.00 0.00 C ATOM 739 C LYS A 55 28.745 9.634 17.032 1.00 0.00 C ATOM 740 O LYS A 55 27.964 10.353 16.411 1.00 0.00 O ATOM 741 CB LYS A 55 30.354 10.882 18.586 1.00 0.00 C ATOM 742 CG LYS A 55 31.831 11.171 18.861 1.00 0.00 C ATOM 743 CD LYS A 55 31.991 12.384 19.780 1.00 0.00 C ATOM 744 CE LYS A 55 32.860 12.043 20.992 1.00 0.00 C ATOM 745 NZ LYS A 55 34.247 12.515 20.784 1.00 0.00 N ATOM 0 H LYS A 55 30.126 11.720 15.974 1.00 0.00 H new ATOM 0 HA LYS A 55 30.786 9.189 17.411 1.00 0.00 H new ATOM 0 HB2 LYS A 55 29.803 11.820 18.518 1.00 0.00 H new ATOM 0 HB3 LYS A 55 29.928 10.321 19.418 1.00 0.00 H new ATOM 0 HG2 LYS A 55 32.296 10.299 19.320 1.00 0.00 H new ATOM 0 HG3 LYS A 55 32.351 11.352 17.920 1.00 0.00 H new ATOM 0 HD2 LYS A 55 32.441 13.208 19.226 1.00 0.00 H new ATOM 0 HD3 LYS A 55 31.011 12.723 20.115 1.00 0.00 H new ATOM 0 HE2 LYS A 55 32.443 12.504 21.887 1.00 0.00 H new ATOM 0 HE3 LYS A 55 32.857 10.966 21.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 34.824 12.276 21.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 34.647 12.055 19.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 34.246 13.546 20.649 1.00 0.00 H new ATOM 759 N PRO A 56 28.430 8.410 17.536 1.00 0.00 N ATOM 760 CA PRO A 56 27.100 7.851 17.367 1.00 0.00 C ATOM 761 C PRO A 56 26.096 8.531 18.300 1.00 0.00 C ATOM 762 O PRO A 56 26.399 8.782 19.465 1.00 0.00 O ATOM 763 CB PRO A 56 27.259 6.365 17.647 1.00 0.00 C ATOM 764 CG PRO A 56 28.565 6.223 18.413 1.00 0.00 C ATOM 765 CD PRO A 56 29.329 7.530 18.277 1.00 0.00 C ATOM 0 HA PRO A 56 26.700 8.014 16.366 1.00 0.00 H new ATOM 0 HB2 PRO A 56 26.420 5.986 18.231 1.00 0.00 H new ATOM 0 HB3 PRO A 56 27.286 5.793 16.719 1.00 0.00 H new ATOM 0 HG2 PRO A 56 28.370 6.002 19.462 1.00 0.00 H new ATOM 0 HG3 PRO A 56 29.152 5.395 18.017 1.00 0.00 H new ATOM 0 HD2 PRO A 56 29.576 7.948 19.253 1.00 0.00 H new ATOM 0 HD3 PRO A 56 30.269 7.385 17.745 1.00 0.00 H new ATOM 773 N LYS A 57 24.923 8.811 17.752 1.00 0.00 N ATOM 774 CA LYS A 57 23.873 9.458 18.521 1.00 0.00 C ATOM 775 C LYS A 57 23.608 8.651 19.793 1.00 0.00 C ATOM 776 O LYS A 57 23.717 9.177 20.900 1.00 0.00 O ATOM 777 CB LYS A 57 22.629 9.669 17.656 1.00 0.00 C ATOM 778 CG LYS A 57 22.396 11.157 17.384 1.00 0.00 C ATOM 779 CD LYS A 57 22.147 11.920 18.687 1.00 0.00 C ATOM 780 CE LYS A 57 21.008 12.928 18.523 1.00 0.00 C ATOM 781 NZ LYS A 57 20.283 13.103 19.801 1.00 0.00 N ATOM 0 H LYS A 57 24.676 8.602 16.785 1.00 0.00 H new ATOM 0 HA LYS A 57 24.188 10.453 18.834 1.00 0.00 H new ATOM 0 HB2 LYS A 57 22.744 9.137 16.712 1.00 0.00 H new ATOM 0 HB3 LYS A 57 21.758 9.246 18.156 1.00 0.00 H new ATOM 0 HG2 LYS A 57 23.262 11.577 16.872 1.00 0.00 H new ATOM 0 HG3 LYS A 57 21.542 11.279 16.718 1.00 0.00 H new ATOM 0 HD2 LYS A 57 21.903 11.217 19.483 1.00 0.00 H new ATOM 0 HD3 LYS A 57 23.057 12.440 18.988 1.00 0.00 H new ATOM 0 HE2 LYS A 57 21.407 13.886 18.191 1.00 0.00 H new ATOM 0 HE3 LYS A 57 20.319 12.585 17.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 19.827 14.037 19.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 19.559 12.362 19.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 20.953 13.032 20.593 1.00 0.00 H new ATOM 795 N GLY A 58 23.266 7.387 19.594 1.00 0.00 N ATOM 796 CA GLY A 58 22.984 6.502 20.711 1.00 0.00 C ATOM 797 C GLY A 58 21.778 5.608 20.413 1.00 0.00 C ATOM 798 O GLY A 58 21.569 4.598 21.084 1.00 0.00 O ATOM 0 H GLY A 58 23.178 6.954 18.675 1.00 0.00 H new ATOM 0 HA2 GLY A 58 23.857 5.883 20.919 1.00 0.00 H new ATOM 0 HA3 GLY A 58 22.791 7.092 21.607 1.00 0.00 H new ATOM 802 N TYR A 59 21.017 6.013 19.408 1.00 0.00 N ATOM 803 CA TYR A 59 19.837 5.262 19.013 1.00 0.00 C ATOM 804 C TYR A 59 19.885 4.909 17.525 1.00 0.00 C ATOM 805 O TYR A 59 20.568 5.573 16.747 1.00 0.00 O ATOM 806 CB TYR A 59 18.644 6.185 19.268 1.00 0.00 C ATOM 807 CG TYR A 59 18.743 7.539 18.562 1.00 0.00 C ATOM 808 CD1 TYR A 59 19.422 8.581 19.160 1.00 0.00 C ATOM 809 CD2 TYR A 59 18.152 7.718 17.328 1.00 0.00 C ATOM 810 CE1 TYR A 59 19.515 9.855 18.495 1.00 0.00 C ATOM 811 CE2 TYR A 59 18.245 8.992 16.663 1.00 0.00 C ATOM 812 CZ TYR A 59 18.922 9.998 17.280 1.00 0.00 C ATOM 813 OH TYR A 59 19.009 11.201 16.653 1.00 0.00 O ATOM 0 H TYR A 59 21.194 6.852 18.855 1.00 0.00 H new ATOM 0 HA TYR A 59 19.771 4.329 19.573 1.00 0.00 H new ATOM 0 HB2 TYR A 59 17.733 5.683 18.942 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.550 6.352 20.341 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.883 8.441 20.126 1.00 0.00 H new ATOM 0 HD2 TYR A 59 17.620 6.903 16.861 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.044 10.679 18.951 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.788 9.145 15.697 1.00 0.00 H new ATOM 0 HH TYR A 59 18.540 11.157 15.794 1.00 0.00 H new ATOM 823 N GLY A 60 19.150 3.864 17.173 1.00 0.00 N ATOM 824 CA GLY A 60 19.100 3.414 15.793 1.00 0.00 C ATOM 825 C GLY A 60 17.835 2.595 15.528 1.00 0.00 C ATOM 826 O GLY A 60 16.945 2.529 16.375 1.00 0.00 O ATOM 0 H GLY A 60 18.584 3.316 17.821 1.00 0.00 H new ATOM 0 HA2 GLY A 60 19.127 4.275 15.125 1.00 0.00 H new ATOM 0 HA3 GLY A 60 19.981 2.811 15.571 1.00 0.00 H new ATOM 830 N PHE A 61 17.796 1.990 14.350 1.00 0.00 N ATOM 831 CA PHE A 61 16.655 1.177 13.964 1.00 0.00 C ATOM 832 C PHE A 61 17.108 -0.168 13.392 1.00 0.00 C ATOM 833 O PHE A 61 18.063 -0.228 12.619 1.00 0.00 O ATOM 834 CB PHE A 61 15.901 1.950 12.880 1.00 0.00 C ATOM 835 CG PHE A 61 15.358 3.303 13.345 1.00 0.00 C ATOM 836 CD1 PHE A 61 14.140 3.377 13.945 1.00 0.00 C ATOM 837 CD2 PHE A 61 16.093 4.432 13.157 1.00 0.00 C ATOM 838 CE1 PHE A 61 13.636 4.633 14.376 1.00 0.00 C ATOM 839 CE2 PHE A 61 15.589 5.687 13.588 1.00 0.00 C ATOM 840 CZ PHE A 61 14.371 5.761 14.189 1.00 0.00 C ATOM 0 H PHE A 61 18.536 2.046 13.650 1.00 0.00 H new ATOM 0 HA PHE A 61 16.028 0.979 14.834 1.00 0.00 H new ATOM 0 HB2 PHE A 61 16.567 2.109 12.032 1.00 0.00 H new ATOM 0 HB3 PHE A 61 15.071 1.340 12.524 1.00 0.00 H new ATOM 0 HD1 PHE A 61 13.556 2.481 14.094 1.00 0.00 H new ATOM 0 HD2 PHE A 61 17.060 4.374 12.680 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.669 4.692 14.852 1.00 0.00 H new ATOM 0 HE2 PHE A 61 16.173 6.583 13.439 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.988 6.716 14.518 1.00 0.00 H new ATOM 850 N CYS A 62 16.402 -1.214 13.795 1.00 0.00 N ATOM 851 CA CYS A 62 16.720 -2.554 13.333 1.00 0.00 C ATOM 852 C CYS A 62 15.509 -3.101 12.575 1.00 0.00 C ATOM 853 O CYS A 62 14.419 -3.211 13.135 1.00 0.00 O ATOM 854 CB CYS A 62 17.131 -3.469 14.488 1.00 0.00 C ATOM 855 SG CYS A 62 17.737 -5.068 13.836 1.00 0.00 S ATOM 0 H CYS A 62 15.611 -1.161 14.436 1.00 0.00 H new ATOM 0 HA CYS A 62 17.580 -2.515 12.664 1.00 0.00 H new ATOM 0 HB2 CYS A 62 17.910 -2.991 15.082 1.00 0.00 H new ATOM 0 HB3 CYS A 62 16.282 -3.636 15.151 1.00 0.00 H new ATOM 0 HG CYS A 62 19.036 -5.053 13.789 1.00 0.00 H new ATOM 861 N GLU A 63 15.740 -3.429 11.312 1.00 0.00 N ATOM 862 CA GLU A 63 14.681 -3.962 10.471 1.00 0.00 C ATOM 863 C GLU A 63 14.798 -5.484 10.370 1.00 0.00 C ATOM 864 O GLU A 63 15.836 -6.004 9.964 1.00 0.00 O ATOM 865 CB GLU A 63 14.705 -3.316 9.084 1.00 0.00 C ATOM 866 CG GLU A 63 13.760 -4.043 8.125 1.00 0.00 C ATOM 867 CD GLU A 63 14.526 -4.615 6.930 1.00 0.00 C ATOM 868 OE1 GLU A 63 15.585 -4.036 6.605 1.00 0.00 O ATOM 869 OE2 GLU A 63 14.034 -5.617 6.368 1.00 0.00 O ATOM 0 H GLU A 63 16.645 -3.336 10.851 1.00 0.00 H new ATOM 0 HA GLU A 63 13.723 -3.721 10.931 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.415 -2.268 9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.720 -3.337 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.249 -4.848 8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.992 -3.354 7.773 1.00 0.00 H new ATOM 876 N TYR A 64 13.719 -6.155 10.747 1.00 0.00 N ATOM 877 CA TYR A 64 13.688 -7.607 10.703 1.00 0.00 C ATOM 878 C TYR A 64 12.989 -8.103 9.436 1.00 0.00 C ATOM 879 O TYR A 64 12.697 -7.317 8.536 1.00 0.00 O ATOM 880 CB TYR A 64 12.879 -8.048 11.924 1.00 0.00 C ATOM 881 CG TYR A 64 13.688 -8.103 13.221 1.00 0.00 C ATOM 882 CD1 TYR A 64 14.370 -9.254 13.560 1.00 0.00 C ATOM 883 CD2 TYR A 64 13.737 -7.002 14.052 1.00 0.00 C ATOM 884 CE1 TYR A 64 15.132 -9.306 14.781 1.00 0.00 C ATOM 885 CE2 TYR A 64 14.500 -7.054 15.273 1.00 0.00 C ATOM 886 CZ TYR A 64 15.159 -8.204 15.577 1.00 0.00 C ATOM 887 OH TYR A 64 15.879 -8.253 16.730 1.00 0.00 O ATOM 0 H TYR A 64 12.860 -5.720 11.084 1.00 0.00 H new ATOM 0 HA TYR A 64 14.700 -8.013 10.703 1.00 0.00 H new ATOM 0 HB2 TYR A 64 12.042 -7.363 12.059 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.456 -9.034 11.730 1.00 0.00 H new ATOM 0 HD1 TYR A 64 14.332 -10.116 12.910 1.00 0.00 H new ATOM 0 HD2 TYR A 64 13.203 -6.101 13.787 1.00 0.00 H new ATOM 0 HE1 TYR A 64 15.670 -10.200 15.058 1.00 0.00 H new ATOM 0 HE2 TYR A 64 14.547 -6.199 15.932 1.00 0.00 H new ATOM 0 HH TYR A 64 16.119 -7.343 17.005 1.00 0.00 H new ATOM 897 N GLN A 65 12.741 -9.404 9.406 1.00 0.00 N ATOM 898 CA GLN A 65 12.082 -10.014 8.264 1.00 0.00 C ATOM 899 C GLN A 65 10.600 -10.246 8.568 1.00 0.00 C ATOM 900 O GLN A 65 9.742 -9.985 7.727 1.00 0.00 O ATOM 901 CB GLN A 65 12.771 -11.321 7.867 1.00 0.00 C ATOM 902 CG GLN A 65 12.376 -12.458 8.811 1.00 0.00 C ATOM 903 CD GLN A 65 13.105 -13.753 8.446 1.00 0.00 C ATOM 904 OE1 GLN A 65 14.180 -13.749 7.869 1.00 0.00 O ATOM 905 NE2 GLN A 65 12.462 -14.858 8.812 1.00 0.00 N ATOM 0 H GLN A 65 12.985 -10.053 10.154 1.00 0.00 H new ATOM 0 HA GLN A 65 12.157 -9.331 7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.501 -11.583 6.844 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.853 -11.187 7.886 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.612 -12.181 9.838 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.299 -12.617 8.763 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.565 -14.791 9.292 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.866 -15.773 8.612 1.00 0.00 H new ATOM 914 N ASP A 66 10.346 -10.734 9.774 1.00 0.00 N ATOM 915 CA ASP A 66 8.983 -11.004 10.199 1.00 0.00 C ATOM 916 C ASP A 66 8.508 -9.878 11.119 1.00 0.00 C ATOM 917 O ASP A 66 9.269 -9.391 11.954 1.00 0.00 O ATOM 918 CB ASP A 66 8.899 -12.319 10.978 1.00 0.00 C ATOM 919 CG ASP A 66 9.983 -13.343 10.637 1.00 0.00 C ATOM 920 OD1 ASP A 66 9.815 -14.025 9.603 1.00 0.00 O ATOM 921 OD2 ASP A 66 10.956 -13.421 11.418 1.00 0.00 O ATOM 0 H ASP A 66 11.061 -10.949 10.469 1.00 0.00 H new ATOM 0 HA ASP A 66 8.359 -11.072 9.308 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.953 -12.097 12.044 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.924 -12.770 10.795 1.00 0.00 H new ATOM 926 N GLN A 67 7.252 -9.498 10.937 1.00 0.00 N ATOM 927 CA GLN A 67 6.667 -8.438 11.740 1.00 0.00 C ATOM 928 C GLN A 67 6.588 -8.866 13.207 1.00 0.00 C ATOM 929 O GLN A 67 6.984 -8.117 14.098 1.00 0.00 O ATOM 930 CB GLN A 67 5.287 -8.045 11.208 1.00 0.00 C ATOM 931 CG GLN A 67 5.104 -6.526 11.226 1.00 0.00 C ATOM 932 CD GLN A 67 4.437 -6.039 9.938 1.00 0.00 C ATOM 933 OE1 GLN A 67 3.245 -5.784 9.884 1.00 0.00 O ATOM 934 NE2 GLN A 67 5.269 -5.926 8.907 1.00 0.00 N ATOM 0 H GLN A 67 6.623 -9.905 10.245 1.00 0.00 H new ATOM 0 HA GLN A 67 7.309 -7.560 11.672 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.166 -8.417 10.191 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.512 -8.515 11.814 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.497 -6.239 12.085 1.00 0.00 H new ATOM 0 HG3 GLN A 67 6.073 -6.041 11.344 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.256 -6.156 9.021 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.920 -5.609 8.002 1.00 0.00 H new ATOM 943 N GLU A 68 6.073 -10.070 13.412 1.00 0.00 N ATOM 944 CA GLU A 68 5.937 -10.606 14.755 1.00 0.00 C ATOM 945 C GLU A 68 7.309 -10.722 15.422 1.00 0.00 C ATOM 946 O GLU A 68 7.443 -10.485 16.621 1.00 0.00 O ATOM 947 CB GLU A 68 5.221 -11.958 14.736 1.00 0.00 C ATOM 948 CG GLU A 68 5.255 -12.617 16.116 1.00 0.00 C ATOM 949 CD GLU A 68 3.905 -13.253 16.454 1.00 0.00 C ATOM 950 OE1 GLU A 68 3.653 -14.360 15.930 1.00 0.00 O ATOM 951 OE2 GLU A 68 3.156 -12.619 17.227 1.00 0.00 O ATOM 0 H GLU A 68 5.745 -10.689 12.670 1.00 0.00 H new ATOM 0 HA GLU A 68 5.327 -9.917 15.340 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.187 -11.821 14.420 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.694 -12.613 14.005 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.035 -13.377 16.141 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.510 -11.874 16.872 1.00 0.00 H new ATOM 958 N THR A 69 8.295 -11.088 14.615 1.00 0.00 N ATOM 959 CA THR A 69 9.652 -11.238 15.112 1.00 0.00 C ATOM 960 C THR A 69 10.218 -9.882 15.537 1.00 0.00 C ATOM 961 O THR A 69 10.868 -9.774 16.575 1.00 0.00 O ATOM 962 CB THR A 69 10.479 -11.928 14.026 1.00 0.00 C ATOM 963 OG1 THR A 69 9.857 -13.201 13.871 1.00 0.00 O ATOM 964 CG2 THR A 69 11.897 -12.262 14.493 1.00 0.00 C ATOM 0 H THR A 69 8.181 -11.285 13.621 1.00 0.00 H new ATOM 0 HA THR A 69 9.679 -11.860 16.007 1.00 0.00 H new ATOM 0 HB THR A 69 10.528 -11.287 13.146 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.255 -13.669 13.108 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.441 -12.750 13.684 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.413 -11.344 14.775 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.849 -12.930 15.353 1.00 0.00 H new ATOM 972 N ALA A 70 9.949 -8.880 14.712 1.00 0.00 N ATOM 973 CA ALA A 70 10.424 -7.535 14.990 1.00 0.00 C ATOM 974 C ALA A 70 9.696 -6.985 16.218 1.00 0.00 C ATOM 975 O ALA A 70 10.301 -6.318 17.056 1.00 0.00 O ATOM 976 CB ALA A 70 10.223 -6.657 13.753 1.00 0.00 C ATOM 0 H ALA A 70 9.409 -8.973 13.852 1.00 0.00 H new ATOM 0 HA ALA A 70 11.491 -7.544 15.215 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.579 -5.648 13.961 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.783 -7.074 12.916 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.163 -6.623 13.499 1.00 0.00 H new ATOM 982 N LEU A 71 8.407 -7.286 16.287 1.00 0.00 N ATOM 983 CA LEU A 71 7.591 -6.831 17.400 1.00 0.00 C ATOM 984 C LEU A 71 8.008 -7.574 18.670 1.00 0.00 C ATOM 985 O LEU A 71 8.090 -6.979 19.743 1.00 0.00 O ATOM 986 CB LEU A 71 6.105 -6.970 17.065 1.00 0.00 C ATOM 987 CG LEU A 71 5.436 -5.735 16.457 1.00 0.00 C ATOM 988 CD1 LEU A 71 4.608 -6.111 15.226 1.00 0.00 C ATOM 989 CD2 LEU A 71 4.602 -4.992 17.502 1.00 0.00 C ATOM 0 H LEU A 71 7.908 -7.839 15.590 1.00 0.00 H new ATOM 0 HA LEU A 71 7.755 -5.769 17.584 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.986 -7.802 16.371 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.571 -7.236 17.977 1.00 0.00 H new ATOM 0 HG LEU A 71 6.218 -5.052 16.124 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.143 -5.216 14.813 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.257 -6.562 14.475 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.834 -6.823 15.512 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.138 -4.119 17.043 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.827 -5.655 17.887 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.246 -4.672 18.321 1.00 0.00 H new ATOM 1001 N SER A 72 8.260 -8.865 18.507 1.00 0.00 N ATOM 1002 CA SER A 72 8.666 -9.696 19.627 1.00 0.00 C ATOM 1003 C SER A 72 10.059 -9.283 20.107 1.00 0.00 C ATOM 1004 O SER A 72 10.331 -9.280 21.307 1.00 0.00 O ATOM 1005 CB SER A 72 8.652 -11.178 19.248 1.00 0.00 C ATOM 1006 OG SER A 72 9.813 -11.550 18.509 1.00 0.00 O ATOM 0 H SER A 72 8.191 -9.356 17.615 1.00 0.00 H new ATOM 0 HA SER A 72 7.952 -9.550 20.437 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.588 -11.783 20.152 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.762 -11.393 18.657 1.00 0.00 H new ATOM 0 HG SER A 72 10.057 -10.825 17.896 1.00 0.00 H new ATOM 1012 N ALA A 73 10.905 -8.945 19.145 1.00 0.00 N ATOM 1013 CA ALA A 73 12.263 -8.532 19.454 1.00 0.00 C ATOM 1014 C ALA A 73 12.228 -7.200 20.206 1.00 0.00 C ATOM 1015 O ALA A 73 13.024 -6.976 21.116 1.00 0.00 O ATOM 1016 CB ALA A 73 13.079 -8.451 18.162 1.00 0.00 C ATOM 0 H ALA A 73 10.676 -8.949 18.151 1.00 0.00 H new ATOM 0 HA ALA A 73 12.748 -9.263 20.101 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.098 -8.141 18.394 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.098 -9.429 17.682 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.623 -7.725 17.489 1.00 0.00 H new ATOM 1022 N MET A 74 11.297 -6.351 19.797 1.00 0.00 N ATOM 1023 CA MET A 74 11.147 -5.047 20.420 1.00 0.00 C ATOM 1024 C MET A 74 10.682 -5.183 21.871 1.00 0.00 C ATOM 1025 O MET A 74 11.232 -4.543 22.766 1.00 0.00 O ATOM 1026 CB MET A 74 10.130 -4.218 19.633 1.00 0.00 C ATOM 1027 CG MET A 74 9.031 -3.681 20.553 1.00 0.00 C ATOM 1028 SD MET A 74 8.011 -2.515 19.667 1.00 0.00 S ATOM 1029 CE MET A 74 7.234 -3.612 18.493 1.00 0.00 C ATOM 0 H MET A 74 10.639 -6.541 19.041 1.00 0.00 H new ATOM 0 HA MET A 74 12.117 -4.549 20.414 1.00 0.00 H new ATOM 0 HB2 MET A 74 10.636 -3.387 19.141 1.00 0.00 H new ATOM 0 HB3 MET A 74 9.685 -4.830 18.848 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.420 -4.504 20.922 1.00 0.00 H new ATOM 0 HG3 MET A 74 9.477 -3.199 21.423 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.309 -3.163 18.132 1.00 0.00 H new ATOM 0 HE2 MET A 74 7.907 -3.781 17.652 1.00 0.00 H new ATOM 0 HE3 MET A 74 7.011 -4.563 18.976 1.00 0.00 H new ATOM 1039 N ARG A 75 9.673 -6.021 22.059 1.00 0.00 N ATOM 1040 CA ARG A 75 9.127 -6.250 23.387 1.00 0.00 C ATOM 1041 C ARG A 75 10.050 -7.168 24.189 1.00 0.00 C ATOM 1042 O ARG A 75 10.077 -7.108 25.418 1.00 0.00 O ATOM 1043 CB ARG A 75 7.735 -6.879 23.309 1.00 0.00 C ATOM 1044 CG ARG A 75 7.180 -7.158 24.707 1.00 0.00 C ATOM 1045 CD ARG A 75 7.201 -8.656 25.017 1.00 0.00 C ATOM 1046 NE ARG A 75 7.724 -8.884 26.383 1.00 0.00 N ATOM 1047 CZ ARG A 75 7.465 -9.977 27.113 1.00 0.00 C ATOM 1048 NH1 ARG A 75 6.690 -10.949 26.614 1.00 0.00 N ATOM 1049 NH2 ARG A 75 7.982 -10.097 28.344 1.00 0.00 N ATOM 0 H ARG A 75 9.219 -6.550 21.314 1.00 0.00 H new ATOM 0 HA ARG A 75 9.049 -5.283 23.885 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.060 -6.212 22.772 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.783 -7.808 22.741 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.770 -6.621 25.450 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.159 -6.783 24.778 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.195 -9.068 24.931 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.823 -9.178 24.289 1.00 0.00 H new ATOM 0 HE ARG A 75 8.318 -8.164 26.794 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.297 -10.857 25.677 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.493 -11.781 27.171 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.572 -9.357 28.724 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.786 -10.929 28.901 1.00 0.00 H new ATOM 1063 N ASN A 76 10.785 -7.998 23.463 1.00 0.00 N ATOM 1064 CA ASN A 76 11.707 -8.928 24.092 1.00 0.00 C ATOM 1065 C ASN A 76 12.967 -8.175 24.526 1.00 0.00 C ATOM 1066 O ASN A 76 13.552 -8.484 25.562 1.00 0.00 O ATOM 1067 CB ASN A 76 12.127 -10.031 23.118 1.00 0.00 C ATOM 1068 CG ASN A 76 11.042 -11.103 23.003 1.00 0.00 C ATOM 1069 OD1 ASN A 76 10.948 -11.651 21.795 1.00 0.00 O flip ATOM 1070 ND2 ASN A 76 10.337 -11.413 23.950 1.00 0.00 N flip ATOM 0 H ASN A 76 10.760 -8.046 22.444 1.00 0.00 H new ATOM 0 HA ASN A 76 11.203 -9.376 24.948 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.322 -9.599 22.136 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.058 -10.486 23.457 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.462 -10.952 24.851 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.623 -12.133 23.840 1.00 0.00 H new ATOM 1077 N LEU A 77 13.346 -7.202 23.710 1.00 0.00 N ATOM 1078 CA LEU A 77 14.526 -6.404 23.997 1.00 0.00 C ATOM 1079 C LEU A 77 14.139 -5.242 24.915 1.00 0.00 C ATOM 1080 O LEU A 77 14.874 -4.908 25.843 1.00 0.00 O ATOM 1081 CB LEU A 77 15.203 -5.962 22.698 1.00 0.00 C ATOM 1082 CG LEU A 77 15.963 -7.048 21.935 1.00 0.00 C ATOM 1083 CD1 LEU A 77 15.540 -7.085 20.465 1.00 0.00 C ATOM 1084 CD2 LEU A 77 17.475 -6.873 22.092 1.00 0.00 C ATOM 0 H LEU A 77 12.857 -6.949 22.851 1.00 0.00 H new ATOM 0 HA LEU A 77 15.268 -6.999 24.530 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.442 -5.547 22.038 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.898 -5.155 22.930 1.00 0.00 H new ATOM 0 HG LEU A 77 15.704 -8.014 22.369 1.00 0.00 H new ATOM 0 HD11 LEU A 77 16.096 -7.866 19.946 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.472 -7.294 20.399 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.750 -6.121 20.002 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.991 -7.658 21.540 1.00 0.00 H new ATOM 0 HD22 LEU A 77 17.771 -5.900 21.701 1.00 0.00 H new ATOM 0 HD23 LEU A 77 17.741 -6.937 23.147 1.00 0.00 H new ATOM 1096 N ASN A 78 12.986 -4.658 24.623 1.00 0.00 N ATOM 1097 CA ASN A 78 12.493 -3.540 25.410 1.00 0.00 C ATOM 1098 C ASN A 78 12.455 -3.940 26.886 1.00 0.00 C ATOM 1099 O ASN A 78 11.448 -4.456 27.368 1.00 0.00 O ATOM 1100 CB ASN A 78 11.074 -3.154 24.989 1.00 0.00 C ATOM 1101 CG ASN A 78 10.464 -2.151 25.971 1.00 0.00 C ATOM 1102 OD1 ASN A 78 10.482 -0.893 25.540 1.00 0.00 O flip ATOM 1103 ND2 ASN A 78 10.007 -2.498 27.048 1.00 0.00 N flip ATOM 0 H ASN A 78 12.379 -4.938 23.853 1.00 0.00 H new ATOM 0 HA ASN A 78 13.160 -2.693 25.249 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.092 -2.723 23.988 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.450 -4.046 24.940 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.025 -3.482 27.317 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.607 -1.804 27.680 1.00 0.00 H new ATOM 1110 N GLY A 79 13.566 -3.686 27.564 1.00 0.00 N ATOM 1111 CA GLY A 79 13.672 -4.012 28.975 1.00 0.00 C ATOM 1112 C GLY A 79 14.735 -5.088 29.211 1.00 0.00 C ATOM 1113 O GLY A 79 14.696 -5.793 30.217 1.00 0.00 O ATOM 0 H GLY A 79 14.400 -3.258 27.161 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.925 -3.115 29.541 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.708 -4.361 29.345 1.00 0.00 H new ATOM 1117 N ARG A 80 15.658 -5.179 28.265 1.00 0.00 N ATOM 1118 CA ARG A 80 16.729 -6.157 28.357 1.00 0.00 C ATOM 1119 C ARG A 80 18.047 -5.468 28.716 1.00 0.00 C ATOM 1120 O ARG A 80 18.516 -4.597 27.985 1.00 0.00 O ATOM 1121 CB ARG A 80 16.899 -6.912 27.037 1.00 0.00 C ATOM 1122 CG ARG A 80 18.029 -7.940 27.136 1.00 0.00 C ATOM 1123 CD ARG A 80 17.506 -9.281 27.655 1.00 0.00 C ATOM 1124 NE ARG A 80 18.556 -10.316 27.530 1.00 0.00 N ATOM 1125 CZ ARG A 80 18.515 -11.506 28.145 1.00 0.00 C ATOM 1126 NH1 ARG A 80 17.477 -11.818 28.933 1.00 0.00 N ATOM 1127 NH2 ARG A 80 19.513 -12.384 27.974 1.00 0.00 N ATOM 0 H ARG A 80 15.687 -4.592 27.431 1.00 0.00 H new ATOM 0 HA ARG A 80 16.463 -6.869 29.138 1.00 0.00 H new ATOM 0 HB2 ARG A 80 15.967 -7.414 26.778 1.00 0.00 H new ATOM 0 HB3 ARG A 80 17.114 -6.206 26.235 1.00 0.00 H new ATOM 0 HG2 ARG A 80 18.486 -8.078 26.156 1.00 0.00 H new ATOM 0 HG3 ARG A 80 18.808 -7.567 27.801 1.00 0.00 H new ATOM 0 HD2 ARG A 80 17.202 -9.183 28.697 1.00 0.00 H new ATOM 0 HD3 ARG A 80 16.622 -9.578 27.092 1.00 0.00 H new ATOM 0 HE ARG A 80 19.361 -10.111 26.939 1.00 0.00 H new ATOM 0 HH11 ARG A 80 16.718 -11.150 29.065 1.00 0.00 H new ATOM 0 HH12 ARG A 80 17.446 -12.724 29.401 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.304 -12.147 27.376 1.00 0.00 H new ATOM 0 HH22 ARG A 80 19.481 -13.290 28.442 1.00 0.00 H new ATOM 1141 N GLU A 81 18.608 -5.885 29.842 1.00 0.00 N ATOM 1142 CA GLU A 81 19.862 -5.319 30.307 1.00 0.00 C ATOM 1143 C GLU A 81 21.016 -5.779 29.413 1.00 0.00 C ATOM 1144 O GLU A 81 21.074 -6.942 29.018 1.00 0.00 O ATOM 1145 CB GLU A 81 20.121 -5.688 31.769 1.00 0.00 C ATOM 1146 CG GLU A 81 18.878 -5.442 32.626 1.00 0.00 C ATOM 1147 CD GLU A 81 18.669 -6.578 33.629 1.00 0.00 C ATOM 1148 OE1 GLU A 81 18.587 -7.736 33.165 1.00 0.00 O ATOM 1149 OE2 GLU A 81 18.595 -6.263 34.836 1.00 0.00 O ATOM 0 H GLU A 81 18.217 -6.608 30.445 1.00 0.00 H new ATOM 0 HA GLU A 81 19.792 -4.233 30.247 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.412 -6.736 31.837 1.00 0.00 H new ATOM 0 HB3 GLU A 81 20.954 -5.100 32.154 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.981 -4.496 33.158 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.001 -5.353 31.984 1.00 0.00 H new ATOM 1156 N PHE A 82 21.905 -4.841 29.120 1.00 0.00 N ATOM 1157 CA PHE A 82 23.053 -5.135 28.280 1.00 0.00 C ATOM 1158 C PHE A 82 24.049 -3.973 28.285 1.00 0.00 C ATOM 1159 O PHE A 82 23.658 -2.817 28.442 1.00 0.00 O ATOM 1160 CB PHE A 82 22.527 -5.334 26.857 1.00 0.00 C ATOM 1161 CG PHE A 82 23.554 -5.930 25.892 1.00 0.00 C ATOM 1162 CD1 PHE A 82 24.401 -5.113 25.210 1.00 0.00 C ATOM 1163 CD2 PHE A 82 23.619 -7.277 25.716 1.00 0.00 C ATOM 1164 CE1 PHE A 82 25.354 -5.667 24.314 1.00 0.00 C ATOM 1165 CE2 PHE A 82 24.572 -7.831 24.820 1.00 0.00 C ATOM 1166 CZ PHE A 82 25.419 -7.014 24.138 1.00 0.00 C ATOM 0 H PHE A 82 21.853 -3.877 29.449 1.00 0.00 H new ATOM 0 HA PHE A 82 23.568 -6.021 28.651 1.00 0.00 H new ATOM 0 HB2 PHE A 82 21.654 -5.986 26.891 1.00 0.00 H new ATOM 0 HB3 PHE A 82 22.192 -4.373 26.467 1.00 0.00 H new ATOM 0 HD1 PHE A 82 24.349 -4.043 25.350 1.00 0.00 H new ATOM 0 HD2 PHE A 82 22.946 -7.925 26.257 1.00 0.00 H new ATOM 0 HE1 PHE A 82 26.027 -5.019 23.773 1.00 0.00 H new ATOM 0 HE2 PHE A 82 24.624 -8.901 24.680 1.00 0.00 H new ATOM 0 HZ PHE A 82 26.143 -7.435 23.457 1.00 0.00 H new ATOM 1218 N ALA A 86 20.027 -0.768 29.989 1.00 0.00 N ATOM 1219 CA ALA A 86 18.808 -1.388 29.496 1.00 0.00 C ATOM 1220 C ALA A 86 18.687 -1.139 27.992 1.00 0.00 C ATOM 1221 O ALA A 86 19.152 -0.118 27.488 1.00 0.00 O ATOM 1222 CB ALA A 86 17.608 -0.845 30.276 1.00 0.00 C ATOM 0 HA ALA A 86 18.836 -2.467 29.650 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.694 -1.310 29.907 1.00 0.00 H new ATOM 0 HB2 ALA A 86 17.729 -1.073 31.335 1.00 0.00 H new ATOM 0 HB3 ALA A 86 17.546 0.235 30.142 1.00 0.00 H new ATOM 1228 N LEU A 87 18.059 -2.090 27.316 1.00 0.00 N ATOM 1229 CA LEU A 87 17.870 -1.987 25.879 1.00 0.00 C ATOM 1230 C LEU A 87 16.393 -1.725 25.580 1.00 0.00 C ATOM 1231 O LEU A 87 15.583 -2.650 25.574 1.00 0.00 O ATOM 1232 CB LEU A 87 18.430 -3.225 25.175 1.00 0.00 C ATOM 1233 CG LEU A 87 19.859 -3.105 24.642 1.00 0.00 C ATOM 1234 CD1 LEU A 87 19.862 -2.802 23.143 1.00 0.00 C ATOM 1235 CD2 LEU A 87 20.656 -2.070 25.438 1.00 0.00 C ATOM 0 H LEU A 87 17.674 -2.936 27.737 1.00 0.00 H new ATOM 0 HA LEU A 87 18.431 -1.141 25.481 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.392 -4.063 25.871 1.00 0.00 H new ATOM 0 HB3 LEU A 87 17.772 -3.473 24.342 1.00 0.00 H new ATOM 0 HG LEU A 87 20.355 -4.066 24.776 1.00 0.00 H new ATOM 0 HD11 LEU A 87 20.890 -2.722 22.790 1.00 0.00 H new ATOM 0 HD12 LEU A 87 19.356 -3.606 22.608 1.00 0.00 H new ATOM 0 HD13 LEU A 87 19.342 -1.862 22.961 1.00 0.00 H new ATOM 0 HD21 LEU A 87 21.668 -2.004 25.039 1.00 0.00 H new ATOM 0 HD22 LEU A 87 20.171 -1.097 25.358 1.00 0.00 H new ATOM 0 HD23 LEU A 87 20.698 -2.370 26.485 1.00 0.00 H new ATOM 1247 N ARG A 88 16.087 -0.458 25.339 1.00 0.00 N ATOM 1248 CA ARG A 88 14.721 -0.062 25.040 1.00 0.00 C ATOM 1249 C ARG A 88 14.458 -0.157 23.536 1.00 0.00 C ATOM 1250 O ARG A 88 15.155 0.469 22.740 1.00 0.00 O ATOM 1251 CB ARG A 88 14.447 1.368 25.510 1.00 0.00 C ATOM 1252 CG ARG A 88 13.796 1.375 26.895 1.00 0.00 C ATOM 1253 CD ARG A 88 13.340 2.784 27.279 1.00 0.00 C ATOM 1254 NE ARG A 88 11.990 3.045 26.730 1.00 0.00 N ATOM 1255 CZ ARG A 88 11.357 4.223 26.822 1.00 0.00 C ATOM 1256 NH1 ARG A 88 11.947 5.254 27.443 1.00 0.00 N ATOM 1257 NH2 ARG A 88 10.134 4.369 26.294 1.00 0.00 N ATOM 0 H ARG A 88 16.761 0.307 25.345 1.00 0.00 H new ATOM 0 HA ARG A 88 14.055 -0.741 25.572 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.381 1.930 25.540 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.795 1.871 24.795 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.942 0.698 26.903 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.504 1.004 27.636 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.327 2.888 28.364 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.046 3.521 26.896 1.00 0.00 H new ATOM 0 HE ARG A 88 11.512 2.281 26.252 1.00 0.00 H new ATOM 0 HH11 ARG A 88 12.878 5.142 27.845 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.465 6.150 27.513 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.685 3.584 25.822 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.652 5.265 26.364 1.00 0.00 H new ATOM 1271 N VAL A 89 13.449 -0.945 23.193 1.00 0.00 N ATOM 1272 CA VAL A 89 13.085 -1.130 21.798 1.00 0.00 C ATOM 1273 C VAL A 89 11.602 -0.802 21.615 1.00 0.00 C ATOM 1274 O VAL A 89 10.753 -1.330 22.332 1.00 0.00 O ATOM 1275 CB VAL A 89 13.445 -2.547 21.347 1.00 0.00 C ATOM 1276 CG1 VAL A 89 13.392 -2.667 19.822 1.00 0.00 C ATOM 1277 CG2 VAL A 89 14.817 -2.961 21.882 1.00 0.00 C ATOM 0 H VAL A 89 12.873 -1.462 23.857 1.00 0.00 H new ATOM 0 HA VAL A 89 13.649 -0.448 21.162 1.00 0.00 H new ATOM 0 HB VAL A 89 12.704 -3.229 21.763 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.652 -3.684 19.528 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.386 -2.434 19.473 1.00 0.00 H new ATOM 0 HG13 VAL A 89 14.101 -1.968 19.377 1.00 0.00 H new ATOM 0 HG21 VAL A 89 15.048 -3.972 21.547 1.00 0.00 H new ATOM 0 HG22 VAL A 89 15.576 -2.273 21.509 1.00 0.00 H new ATOM 0 HG23 VAL A 89 14.806 -2.934 22.972 1.00 0.00 H new ATOM 1287 N ASP A 90 11.335 0.067 20.651 1.00 0.00 N ATOM 1288 CA ASP A 90 9.969 0.471 20.365 1.00 0.00 C ATOM 1289 C ASP A 90 9.773 0.552 18.850 1.00 0.00 C ATOM 1290 O ASP A 90 10.698 0.900 18.118 1.00 0.00 O ATOM 1291 CB ASP A 90 9.667 1.850 20.955 1.00 0.00 C ATOM 1292 CG ASP A 90 10.838 2.512 21.684 1.00 0.00 C ATOM 1293 OD1 ASP A 90 11.452 1.815 22.522 1.00 0.00 O ATOM 1294 OD2 ASP A 90 11.094 3.699 21.387 1.00 0.00 O ATOM 0 H ASP A 90 12.042 0.502 20.058 1.00 0.00 H new ATOM 0 HA ASP A 90 9.299 -0.266 20.809 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.340 2.509 20.151 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.832 1.756 21.650 1.00 0.00 H new ATOM 1299 N ASN A 91 8.562 0.224 18.424 1.00 0.00 N ATOM 1300 CA ASN A 91 8.232 0.255 17.009 1.00 0.00 C ATOM 1301 C ASN A 91 8.836 1.511 16.377 1.00 0.00 C ATOM 1302 O ASN A 91 8.642 2.617 16.878 1.00 0.00 O ATOM 1303 CB ASN A 91 6.718 0.300 16.797 1.00 0.00 C ATOM 1304 CG ASN A 91 6.284 -0.704 15.727 1.00 0.00 C ATOM 1305 OD1 ASN A 91 6.218 -1.901 15.953 1.00 0.00 O ATOM 1306 ND2 ASN A 91 5.991 -0.151 14.554 1.00 0.00 N ATOM 0 H ASN A 91 7.797 -0.065 19.034 1.00 0.00 H new ATOM 0 HA ASN A 91 8.633 -0.648 16.549 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.209 0.080 17.735 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.418 1.305 16.500 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.689 -0.737 13.775 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.068 0.859 14.433 1.00 0.00 H new ATOM 1313 N ALA A 92 9.555 1.297 15.285 1.00 0.00 N ATOM 1314 CA ALA A 92 10.189 2.398 14.579 1.00 0.00 C ATOM 1315 C ALA A 92 9.113 3.249 13.901 1.00 0.00 C ATOM 1316 O ALA A 92 9.407 4.319 13.369 1.00 0.00 O ATOM 1317 CB ALA A 92 11.209 1.845 13.582 1.00 0.00 C ATOM 0 H ALA A 92 9.713 0.378 14.872 1.00 0.00 H new ATOM 0 HA ALA A 92 10.729 3.041 15.275 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.685 2.670 13.052 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.967 1.272 14.117 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.703 1.198 12.866 1.00 0.00 H new ATOM 1323 N ALA A 93 7.890 2.742 13.941 1.00 0.00 N ATOM 1324 CA ALA A 93 6.769 3.442 13.337 1.00 0.00 C ATOM 1325 C ALA A 93 6.100 4.328 14.390 1.00 0.00 C ATOM 1326 O ALA A 93 4.908 4.617 14.296 1.00 0.00 O ATOM 1327 CB ALA A 93 5.800 2.427 12.728 1.00 0.00 C ATOM 0 H ALA A 93 7.650 1.854 14.383 1.00 0.00 H new ATOM 0 HA ALA A 93 7.111 4.090 12.530 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.959 2.953 12.275 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.316 1.843 11.966 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.433 1.761 13.509 1.00 0.00 H new ATOM 1333 N SER A 94 6.896 4.734 15.368 1.00 0.00 N ATOM 1334 CA SER A 94 6.395 5.581 16.437 1.00 0.00 C ATOM 1335 C SER A 94 6.323 7.034 15.964 1.00 0.00 C ATOM 1336 O SER A 94 7.087 7.445 15.091 1.00 0.00 O ATOM 1337 CB SER A 94 7.275 5.472 17.684 1.00 0.00 C ATOM 1338 OG SER A 94 6.588 4.853 18.769 1.00 0.00 O ATOM 0 H SER A 94 7.884 4.492 15.443 1.00 0.00 H new ATOM 0 HA SER A 94 5.393 5.242 16.701 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.171 4.898 17.447 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.604 6.467 17.984 1.00 0.00 H new ATOM 0 HG SER A 94 7.240 4.512 19.417 1.00 0.00 H new ATOM 1344 N GLU A 95 5.399 7.773 16.560 1.00 0.00 N ATOM 1345 CA GLU A 95 5.218 9.171 16.211 1.00 0.00 C ATOM 1346 C GLU A 95 6.504 9.956 16.475 1.00 0.00 C ATOM 1347 O GLU A 95 6.848 10.865 15.721 1.00 0.00 O ATOM 1348 CB GLU A 95 4.039 9.779 16.973 1.00 0.00 C ATOM 1349 CG GLU A 95 2.834 9.980 16.051 1.00 0.00 C ATOM 1350 CD GLU A 95 2.330 8.641 15.509 1.00 0.00 C ATOM 1351 OE1 GLU A 95 3.194 7.799 15.182 1.00 0.00 O ATOM 1352 OE2 GLU A 95 1.091 8.490 15.433 1.00 0.00 O ATOM 0 H GLU A 95 4.767 7.429 17.283 1.00 0.00 H new ATOM 0 HA GLU A 95 4.991 9.232 15.147 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.762 9.127 17.802 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.335 10.735 17.404 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.034 10.480 16.596 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.110 10.631 15.222 1.00 0.00 H new ATOM 1359 N LYS A 96 7.182 9.575 17.549 1.00 0.00 N ATOM 1360 CA LYS A 96 8.423 10.231 17.922 1.00 0.00 C ATOM 1361 C LYS A 96 9.569 9.659 17.085 1.00 0.00 C ATOM 1362 O LYS A 96 10.511 10.373 16.746 1.00 0.00 O ATOM 1363 CB LYS A 96 8.652 10.126 19.431 1.00 0.00 C ATOM 1364 CG LYS A 96 8.861 8.671 19.854 1.00 0.00 C ATOM 1365 CD LYS A 96 7.948 8.304 21.026 1.00 0.00 C ATOM 1366 CE LYS A 96 8.197 6.865 21.484 1.00 0.00 C ATOM 1367 NZ LYS A 96 8.035 6.753 22.951 1.00 0.00 N ATOM 0 H LYS A 96 6.895 8.820 18.172 1.00 0.00 H new ATOM 0 HA LYS A 96 8.370 11.298 17.704 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.522 10.719 19.712 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.797 10.544 19.962 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.659 8.011 19.011 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.902 8.517 20.137 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.122 8.989 21.856 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.905 8.420 20.730 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.501 6.192 20.983 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.202 6.555 21.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.207 5.771 23.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.716 7.381 23.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.068 7.029 23.216 1.00 0.00 H new ATOM 1381 N ASN A 97 9.450 8.376 16.776 1.00 0.00 N ATOM 1382 CA ASN A 97 10.465 7.700 15.985 1.00 0.00 C ATOM 1383 C ASN A 97 10.382 8.183 14.536 1.00 0.00 C ATOM 1384 O ASN A 97 11.337 8.041 13.775 1.00 0.00 O ATOM 1385 CB ASN A 97 10.249 6.185 15.992 1.00 0.00 C ATOM 1386 CG ASN A 97 10.784 5.561 17.282 1.00 0.00 C ATOM 1387 OD1 ASN A 97 11.507 6.177 18.047 1.00 0.00 O ATOM 1388 ND2 ASN A 97 10.388 4.306 17.480 1.00 0.00 N ATOM 0 H ASN A 97 8.667 7.787 17.059 1.00 0.00 H new ATOM 0 HA ASN A 97 11.439 7.928 16.419 1.00 0.00 H new ATOM 0 HB2 ASN A 97 9.186 5.965 15.891 1.00 0.00 H new ATOM 0 HB3 ASN A 97 10.750 5.739 15.133 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.691 3.801 18.313 1.00 0.00 H new ATOM 0 HD22 ASN A 97 9.782 3.849 16.799 1.00 0.00 H new ATOM 1395 N LYS A 98 9.230 8.744 14.198 1.00 0.00 N ATOM 1396 CA LYS A 98 9.010 9.250 12.854 1.00 0.00 C ATOM 1397 C LYS A 98 9.910 10.464 12.616 1.00 0.00 C ATOM 1398 O LYS A 98 10.559 10.566 11.576 1.00 0.00 O ATOM 1399 CB LYS A 98 7.524 9.531 12.624 1.00 0.00 C ATOM 1400 CG LYS A 98 7.099 9.121 11.212 1.00 0.00 C ATOM 1401 CD LYS A 98 5.912 8.157 11.255 1.00 0.00 C ATOM 1402 CE LYS A 98 4.834 8.569 10.250 1.00 0.00 C ATOM 1403 NZ LYS A 98 3.953 7.423 9.936 1.00 0.00 N ATOM 0 H LYS A 98 8.439 8.859 14.832 1.00 0.00 H new ATOM 0 HA LYS A 98 9.287 8.499 12.114 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.930 8.987 13.358 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.324 10.592 12.774 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.831 10.008 10.637 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.937 8.649 10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.252 7.145 11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.490 8.139 12.260 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.243 9.389 10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.302 8.937 9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.227 7.720 9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.519 6.652 9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.493 7.090 10.807 1.00 0.00 H new ATOM 1417 N GLU A 99 9.920 11.354 13.597 1.00 0.00 N ATOM 1418 CA GLU A 99 10.730 12.557 13.508 1.00 0.00 C ATOM 1419 C GLU A 99 12.213 12.193 13.413 1.00 0.00 C ATOM 1420 O GLU A 99 12.977 12.864 12.721 1.00 0.00 O ATOM 1421 CB GLU A 99 10.468 13.484 14.697 1.00 0.00 C ATOM 1422 CG GLU A 99 9.229 14.349 14.454 1.00 0.00 C ATOM 1423 CD GLU A 99 9.013 15.332 15.607 1.00 0.00 C ATOM 1424 OE1 GLU A 99 9.861 16.240 15.745 1.00 0.00 O ATOM 1425 OE2 GLU A 99 8.005 15.153 16.324 1.00 0.00 O ATOM 0 H GLU A 99 9.380 11.266 14.458 1.00 0.00 H new ATOM 0 HA GLU A 99 10.449 13.094 12.602 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.331 12.892 15.602 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.335 14.123 14.863 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.342 14.898 13.519 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.351 13.712 14.345 1.00 0.00 H new ATOM 1432 N GLU A 100 12.575 11.132 14.119 1.00 0.00 N ATOM 1433 CA GLU A 100 13.953 10.671 14.123 1.00 0.00 C ATOM 1434 C GLU A 100 14.305 10.039 12.775 1.00 0.00 C ATOM 1435 O GLU A 100 15.386 10.276 12.237 1.00 0.00 O ATOM 1436 CB GLU A 100 14.199 9.688 15.270 1.00 0.00 C ATOM 1437 CG GLU A 100 15.493 10.026 16.013 1.00 0.00 C ATOM 1438 CD GLU A 100 15.251 11.098 17.077 1.00 0.00 C ATOM 1439 OE1 GLU A 100 14.726 10.726 18.148 1.00 0.00 O ATOM 1440 OE2 GLU A 100 15.596 12.266 16.795 1.00 0.00 O ATOM 0 H GLU A 100 11.938 10.578 14.692 1.00 0.00 H new ATOM 0 HA GLU A 100 14.603 11.532 14.280 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.359 9.716 15.964 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.255 8.673 14.878 1.00 0.00 H new ATOM 0 HG2 GLU A 100 15.893 9.127 16.482 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.243 10.376 15.304 1.00 0.00 H new ATOM 1447 N LEU A 101 13.373 9.246 12.267 1.00 0.00 N ATOM 1448 CA LEU A 101 13.571 8.578 10.992 1.00 0.00 C ATOM 1449 C LEU A 101 13.713 9.627 9.888 1.00 0.00 C ATOM 1450 O LEU A 101 14.441 9.419 8.919 1.00 0.00 O ATOM 1451 CB LEU A 101 12.453 7.565 10.738 1.00 0.00 C ATOM 1452 CG LEU A 101 12.636 6.188 11.381 1.00 0.00 C ATOM 1453 CD1 LEU A 101 11.393 5.786 12.178 1.00 0.00 C ATOM 1454 CD2 LEU A 101 13.008 5.139 10.332 1.00 0.00 C ATOM 0 H LEU A 101 12.478 9.051 12.716 1.00 0.00 H new ATOM 0 HA LEU A 101 14.495 8.001 11.004 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.516 7.990 11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.350 7.430 9.661 1.00 0.00 H new ATOM 0 HG LEU A 101 13.465 6.247 12.086 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.549 4.804 12.625 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.213 6.518 12.965 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.530 5.749 11.513 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.132 4.170 10.815 1.00 0.00 H new ATOM 0 HD22 LEU A 101 12.216 5.074 9.586 1.00 0.00 H new ATOM 0 HD23 LEU A 101 13.941 5.425 9.847 1.00 0.00 H new ATOM 1466 N LYS A 102 13.006 10.732 10.072 1.00 0.00 N ATOM 1467 CA LYS A 102 13.044 11.815 9.104 1.00 0.00 C ATOM 1468 C LYS A 102 14.500 12.188 8.819 1.00 0.00 C ATOM 1469 O LYS A 102 14.824 12.648 7.725 1.00 0.00 O ATOM 1470 CB LYS A 102 12.190 12.991 9.581 1.00 0.00 C ATOM 1471 CG LYS A 102 10.897 13.095 8.771 1.00 0.00 C ATOM 1472 CD LYS A 102 9.844 13.913 9.521 1.00 0.00 C ATOM 1473 CE LYS A 102 8.512 13.915 8.767 1.00 0.00 C ATOM 1474 NZ LYS A 102 7.727 12.706 9.100 1.00 0.00 N ATOM 0 H LYS A 102 12.403 10.901 10.877 1.00 0.00 H new ATOM 0 HA LYS A 102 12.605 11.496 8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.952 12.867 10.638 1.00 0.00 H new ATOM 0 HB3 LYS A 102 12.757 13.917 9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.104 13.559 7.807 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.510 12.097 8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.700 13.500 10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.196 14.937 9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.943 14.808 9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.695 13.953 7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.826 12.723 8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.266 11.858 8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.536 12.686 10.122 1.00 0.00 H new ATOM 1488 N SER A 103 15.339 11.974 9.821 1.00 0.00 N ATOM 1489 CA SER A 103 16.753 12.282 9.692 1.00 0.00 C ATOM 1490 C SER A 103 17.489 11.102 9.054 1.00 0.00 C ATOM 1491 O SER A 103 18.398 11.296 8.248 1.00 0.00 O ATOM 1492 CB SER A 103 17.370 12.620 11.051 1.00 0.00 C ATOM 1493 OG SER A 103 18.494 13.487 10.927 1.00 0.00 O ATOM 0 H SER A 103 15.067 11.591 10.726 1.00 0.00 H new ATOM 0 HA SER A 103 16.855 13.157 9.050 1.00 0.00 H new ATOM 0 HB2 SER A 103 16.617 13.091 11.684 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.675 11.700 11.549 1.00 0.00 H new ATOM 0 HG SER A 103 18.858 13.680 11.816 1.00 0.00 H new ATOM 1499 N LEU A 104 17.070 9.906 9.439 1.00 0.00 N ATOM 1500 CA LEU A 104 17.678 8.695 8.914 1.00 0.00 C ATOM 1501 C LEU A 104 17.113 8.408 7.522 1.00 0.00 C ATOM 1502 O LEU A 104 17.535 7.461 6.860 1.00 0.00 O ATOM 1503 CB LEU A 104 17.503 7.538 9.900 1.00 0.00 C ATOM 1504 CG LEU A 104 18.760 6.719 10.202 1.00 0.00 C ATOM 1505 CD1 LEU A 104 19.959 7.632 10.467 1.00 0.00 C ATOM 1506 CD2 LEU A 104 18.515 5.744 11.356 1.00 0.00 C ATOM 0 H LEU A 104 16.317 9.749 10.108 1.00 0.00 H new ATOM 0 HA LEU A 104 18.754 8.827 8.800 1.00 0.00 H new ATOM 0 HB2 LEU A 104 17.122 7.941 10.838 1.00 0.00 H new ATOM 0 HB3 LEU A 104 16.740 6.865 9.508 1.00 0.00 H new ATOM 0 HG LEU A 104 18.999 6.122 9.322 1.00 0.00 H new ATOM 0 HD11 LEU A 104 20.839 7.025 10.679 1.00 0.00 H new ATOM 0 HD12 LEU A 104 20.147 8.250 9.589 1.00 0.00 H new ATOM 0 HD13 LEU A 104 19.746 8.273 11.322 1.00 0.00 H new ATOM 0 HD21 LEU A 104 19.424 5.174 11.550 1.00 0.00 H new ATOM 0 HD22 LEU A 104 18.238 6.301 12.251 1.00 0.00 H new ATOM 0 HD23 LEU A 104 17.708 5.061 11.090 1.00 0.00 H new