USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 817 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 102 TYR OH : rot 9:sc= 1.13 USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 1.02 USER MOD Set 2.1: A 72 ASN : amide:sc= -2.31! X(o=-1.9!,f=-1.8) USER MOD Set 2.2: A 82 LYS NZ :NH3+ 161:sc= 0.439 (180deg=0) USER MOD Set 3.1: A 42 ASN : amide:sc= -0.878 X(o=-1.1,f=-1.1!) USER MOD Set 3.2: A 69 ASN :FLIP amide:sc= -0.207 F(o=-2.1,f=-1.1) USER MOD Set 4.1: A 64 HIS : no HD1:sc= -1.29 K(o=-3.9,f=-6.7) USER MOD Set 4.2: A 68 GLN : amide:sc= -2.62 K(o=-3.9,f=-6.9!) USER MOD Set 5.1: A 19 LYS NZ :NH3+ 146:sc= 0.374 (180deg=0) USER MOD Set 5.2: A 48 HIS :FLIP no HE2:sc= -7.22! C(o=-12!,f=-6.8!) USER MOD Set 6.1: A 23 TYR OH : rot 151:sc= 0.657 USER MOD Set 6.2: A 46 HIS : no HE2:sc= -1.5! C(o=-0.84!,f=-4.5!) USER MOD Set 7.1: A 30 ASN :FLIP amide:sc= -0.944 F(o=-3.1!,f=-0.94) USER MOD Set 7.2: A 33 THR OG1 : rot -5:sc=-0.00013 USER MOD Single : A 16 CYS SG : rot 166:sc= -0.668! USER MOD Single : A 17 GLN : amide:sc= 1.08 K(o=1.1,f=-0.95) USER MOD Single : A 18 MET CE :methyl 156:sc= 0 (180deg=-0.233) USER MOD Single : A 20 THR OG1 : rot -93:sc= 1.15 USER MOD Single : A 25 ASN : amide:sc= -0.0879 K(o=-0.088,f=-5.3!) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 34 SER OG : rot -150:sc= -0.0493 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= -0.293 (180deg=-0.954) USER MOD Single : A 60 LYS NZ :NH3+ -141:sc= -1.68 (180deg=-4.07!) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0279 F(o=-1.4,f=-0.028) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.212 K(o=0.21,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.652 K(o=-0.65,f=-5.3!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 79:sc= 0.808 USER MOD Single : A 105 THR OG1 : rot -51:sc= 1.09 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N ASP A 10 12.525 7.250 -0.989 1.00 0.00 N ATOM 99 CA ASP A 10 12.328 7.454 -2.419 1.00 0.00 C ATOM 100 C ASP A 10 12.050 6.129 -3.123 1.00 0.00 C ATOM 101 O ASP A 10 11.003 5.951 -3.743 1.00 0.00 O ATOM 102 CB ASP A 10 13.556 8.126 -3.034 1.00 0.00 C ATOM 103 CG ASP A 10 13.877 9.455 -2.381 1.00 0.00 C ATOM 104 OD1 ASP A 10 12.982 10.324 -2.332 1.00 0.00 O ATOM 105 OD2 ASP A 10 15.024 9.627 -1.918 1.00 0.00 O ATOM 0 HA ASP A 10 11.464 8.104 -2.553 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.415 7.462 -2.940 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.387 8.280 -4.100 1.00 0.00 H new ATOM 110 N ALA A 11 12.999 5.203 -3.023 1.00 0.00 N ATOM 111 CA ALA A 11 12.856 3.894 -3.649 1.00 0.00 C ATOM 112 C ALA A 11 11.420 3.390 -3.550 1.00 0.00 C ATOM 113 O ALA A 11 10.819 2.995 -4.550 1.00 0.00 O ATOM 114 CB ALA A 11 13.812 2.896 -3.011 1.00 0.00 C ATOM 0 H ALA A 11 13.874 5.335 -2.515 1.00 0.00 H new ATOM 0 HA ALA A 11 13.105 3.996 -4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.694 1.923 -3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.838 3.241 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.590 2.808 -1.948 1.00 0.00 H new ATOM 120 N LEU A 12 10.875 3.407 -2.340 1.00 0.00 N ATOM 121 CA LEU A 12 9.508 2.951 -2.109 1.00 0.00 C ATOM 122 C LEU A 12 8.507 3.852 -2.826 1.00 0.00 C ATOM 123 O LEU A 12 7.715 3.386 -3.647 1.00 0.00 O ATOM 124 CB LEU A 12 9.204 2.924 -0.611 1.00 0.00 C ATOM 125 CG LEU A 12 7.882 2.269 -0.206 1.00 0.00 C ATOM 126 CD1 LEU A 12 7.860 0.809 -0.627 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.662 2.397 1.295 1.00 0.00 C ATOM 0 H LEU A 12 11.358 3.732 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 12 9.415 1.942 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.016 2.401 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.207 3.949 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 12 7.070 2.786 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.912 0.359 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.972 0.741 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.680 0.278 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.717 1.926 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.478 1.906 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.633 3.451 1.570 1.00 0.00 H new ATOM 139 N LEU A 13 8.549 5.141 -2.513 1.00 0.00 N ATOM 140 CA LEU A 13 7.646 6.108 -3.130 1.00 0.00 C ATOM 141 C LEU A 13 7.482 5.826 -4.619 1.00 0.00 C ATOM 142 O LEU A 13 6.362 5.772 -5.132 1.00 0.00 O ATOM 143 CB LEU A 13 8.172 7.530 -2.923 1.00 0.00 C ATOM 144 CG LEU A 13 7.314 8.654 -3.505 1.00 0.00 C ATOM 145 CD1 LEU A 13 6.058 8.854 -2.673 1.00 0.00 C ATOM 146 CD2 LEU A 13 8.113 9.946 -3.588 1.00 0.00 C ATOM 0 H LEU A 13 9.198 5.542 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 13 6.671 6.015 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.284 7.702 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.168 7.595 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 13 7.014 8.370 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.461 9.658 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.475 7.933 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.336 9.115 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.487 10.735 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.444 10.234 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.982 9.796 -4.229 1.00 0.00 H new ATOM 158 N LEU A 14 8.601 5.646 -5.310 1.00 0.00 N ATOM 159 CA LEU A 14 8.582 5.367 -6.742 1.00 0.00 C ATOM 160 C LEU A 14 7.800 4.091 -7.037 1.00 0.00 C ATOM 161 O LEU A 14 7.038 4.029 -8.002 1.00 0.00 O ATOM 162 CB LEU A 14 10.010 5.237 -7.276 1.00 0.00 C ATOM 163 CG LEU A 14 10.146 4.735 -8.713 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.545 5.736 -9.688 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.606 4.470 -9.051 1.00 0.00 C ATOM 0 H LEU A 14 9.535 5.688 -4.902 1.00 0.00 H new ATOM 0 HA LEU A 14 8.088 6.200 -7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.493 6.212 -7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.561 4.561 -6.622 1.00 0.00 H new ATOM 0 HG LEU A 14 9.597 3.797 -8.802 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.651 5.361 -10.706 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.488 5.875 -9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.064 6.690 -9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.683 4.113 -10.078 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.178 5.392 -8.943 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.005 3.715 -8.374 1.00 0.00 H new ATOM 177 N TRP A 15 7.990 3.079 -6.199 1.00 0.00 N ATOM 178 CA TRP A 15 7.299 1.805 -6.369 1.00 0.00 C ATOM 179 C TRP A 15 5.795 2.016 -6.499 1.00 0.00 C ATOM 180 O TRP A 15 5.193 1.655 -7.511 1.00 0.00 O ATOM 181 CB TRP A 15 7.597 0.879 -5.190 1.00 0.00 C ATOM 182 CG TRP A 15 7.116 -0.525 -5.401 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.605 -1.433 -6.295 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.048 -1.177 -4.705 1.00 0.00 C ATOM 185 NE1 TRP A 15 6.906 -2.612 -6.197 1.00 0.00 N ATOM 186 CE2 TRP A 15 5.946 -2.482 -5.229 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.170 -0.789 -3.690 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.000 -3.395 -4.770 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.232 -1.697 -3.236 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.153 -2.987 -3.776 1.00 0.00 C ATOM 0 H TRP A 15 8.616 3.115 -5.395 1.00 0.00 H new ATOM 0 HA TRP A 15 7.663 1.341 -7.286 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.672 0.864 -5.012 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.131 1.284 -4.292 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.421 -1.252 -6.979 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.075 -3.449 -6.755 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.223 0.203 -3.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.937 -4.390 -5.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.548 -1.407 -2.452 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.409 -3.673 -3.400 1.00 0.00 H new ATOM 201 N CYS A 16 5.193 2.601 -5.470 1.00 0.00 N ATOM 202 CA CYS A 16 3.757 2.858 -5.469 1.00 0.00 C ATOM 203 C CYS A 16 3.342 3.629 -6.718 1.00 0.00 C ATOM 204 O CYS A 16 2.330 3.316 -7.344 1.00 0.00 O ATOM 205 CB CYS A 16 3.358 3.639 -4.216 1.00 0.00 C ATOM 206 SG CYS A 16 1.677 3.306 -3.641 1.00 0.00 S ATOM 0 H CYS A 16 5.677 2.906 -4.625 1.00 0.00 H new ATOM 0 HA CYS A 16 3.241 1.898 -5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.058 3.401 -3.415 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.456 4.705 -4.419 1.00 0.00 H new ATOM 0 HG CYS A 16 1.531 3.770 -2.435 1.00 0.00 H new ATOM 212 N GLN A 17 4.130 4.640 -7.072 1.00 0.00 N ATOM 213 CA GLN A 17 3.842 5.457 -8.245 1.00 0.00 C ATOM 214 C GLN A 17 3.769 4.597 -9.503 1.00 0.00 C ATOM 215 O GLN A 17 2.876 4.769 -10.332 1.00 0.00 O ATOM 216 CB GLN A 17 4.911 6.538 -8.414 1.00 0.00 C ATOM 217 CG GLN A 17 4.796 7.671 -7.407 1.00 0.00 C ATOM 218 CD GLN A 17 5.852 8.740 -7.607 1.00 0.00 C ATOM 219 OE1 GLN A 17 6.762 8.584 -8.422 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.736 9.832 -6.862 1.00 0.00 N ATOM 0 H GLN A 17 4.971 4.912 -6.564 1.00 0.00 H new ATOM 0 HA GLN A 17 2.873 5.934 -8.096 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.896 6.080 -8.322 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.843 6.950 -9.421 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.807 8.123 -7.486 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.881 7.266 -6.399 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.965 9.918 -6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.418 10.586 -6.952 1.00 0.00 H new ATOM 229 N MET A 18 4.713 3.671 -9.636 1.00 0.00 N ATOM 230 CA MET A 18 4.753 2.784 -10.794 1.00 0.00 C ATOM 231 C MET A 18 3.524 1.883 -10.832 1.00 0.00 C ATOM 232 O MET A 18 2.848 1.778 -11.855 1.00 0.00 O ATOM 233 CB MET A 18 6.025 1.932 -10.765 1.00 0.00 C ATOM 234 CG MET A 18 7.303 2.743 -10.897 1.00 0.00 C ATOM 235 SD MET A 18 8.672 1.777 -11.562 1.00 0.00 S ATOM 236 CE MET A 18 9.250 0.948 -10.083 1.00 0.00 C ATOM 0 H MET A 18 5.459 3.515 -8.958 1.00 0.00 H new ATOM 0 HA MET A 18 4.756 3.400 -11.693 1.00 0.00 H new ATOM 0 HB2 MET A 18 6.055 1.371 -9.831 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.982 1.202 -11.574 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.120 3.600 -11.545 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.582 3.136 -9.919 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.774 0.033 -10.360 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.929 1.605 -9.539 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.399 0.701 -9.448 1.00 0.00 H new ATOM 246 N LYS A 19 3.238 1.232 -9.709 1.00 0.00 N ATOM 247 CA LYS A 19 2.089 0.340 -9.612 1.00 0.00 C ATOM 248 C LYS A 19 0.784 1.115 -9.766 1.00 0.00 C ATOM 249 O LYS A 19 0.019 0.882 -10.703 1.00 0.00 O ATOM 250 CB LYS A 19 2.101 -0.398 -8.271 1.00 0.00 C ATOM 251 CG LYS A 19 3.410 -1.113 -7.982 1.00 0.00 C ATOM 252 CD LYS A 19 3.772 -2.082 -9.095 1.00 0.00 C ATOM 253 CE LYS A 19 4.878 -3.035 -8.665 1.00 0.00 C ATOM 254 NZ LYS A 19 4.334 -4.259 -8.014 1.00 0.00 N ATOM 0 H LYS A 19 3.787 1.306 -8.853 1.00 0.00 H new ATOM 0 HA LYS A 19 2.157 -0.388 -10.421 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.902 0.316 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.289 -1.125 -8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.208 -0.380 -7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.330 -1.654 -7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.890 -2.653 -9.383 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.092 -1.524 -9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.471 -3.319 -9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.549 -2.524 -7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.938 -5.073 -8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.314 -4.124 -6.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.369 -4.436 -8.358 1.00 0.00 H new ATOM 268 N THR A 20 0.535 2.037 -8.841 1.00 0.00 N ATOM 269 CA THR A 20 -0.676 2.846 -8.875 1.00 0.00 C ATOM 270 C THR A 20 -0.907 3.432 -10.263 1.00 0.00 C ATOM 271 O THR A 20 -2.026 3.811 -10.608 1.00 0.00 O ATOM 272 CB THR A 20 -0.613 3.995 -7.850 1.00 0.00 C ATOM 273 OG1 THR A 20 0.515 4.833 -8.121 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.518 3.449 -6.432 1.00 0.00 C ATOM 0 H THR A 20 1.157 2.242 -8.059 1.00 0.00 H new ATOM 0 HA THR A 20 -1.504 2.185 -8.620 1.00 0.00 H new ATOM 0 HB THR A 20 -1.528 4.581 -7.937 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.282 4.530 -7.591 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.475 4.278 -5.725 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.393 2.836 -6.219 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.382 2.842 -6.335 1.00 0.00 H new ATOM 282 N ALA A 21 0.157 3.502 -11.056 1.00 0.00 N ATOM 283 CA ALA A 21 0.067 4.038 -12.408 1.00 0.00 C ATOM 284 C ALA A 21 -1.113 3.434 -13.162 1.00 0.00 C ATOM 285 O ALA A 21 -1.266 2.215 -13.219 1.00 0.00 O ATOM 286 CB ALA A 21 1.364 3.786 -13.163 1.00 0.00 C ATOM 0 H ALA A 21 1.091 3.194 -10.785 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.095 5.113 -12.335 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.283 4.192 -14.171 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.189 4.272 -12.642 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.551 2.714 -13.217 1.00 0.00 H new ATOM 292 N GLY A 22 -1.943 4.296 -13.741 1.00 0.00 N ATOM 293 CA GLY A 22 -3.099 3.828 -14.483 1.00 0.00 C ATOM 294 C GLY A 22 -4.406 4.315 -13.889 1.00 0.00 C ATOM 295 O GLY A 22 -5.333 4.670 -14.618 1.00 0.00 O ATOM 0 H GLY A 22 -1.836 5.310 -13.710 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.025 4.167 -15.516 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.097 2.738 -14.504 1.00 0.00 H new ATOM 299 N TYR A 23 -4.481 4.332 -12.563 1.00 0.00 N ATOM 300 CA TYR A 23 -5.686 4.774 -11.872 1.00 0.00 C ATOM 301 C TYR A 23 -5.787 6.297 -11.875 1.00 0.00 C ATOM 302 O TYR A 23 -4.860 7.008 -11.486 1.00 0.00 O ATOM 303 CB TYR A 23 -5.694 4.256 -10.433 1.00 0.00 C ATOM 304 CG TYR A 23 -5.877 2.758 -10.330 1.00 0.00 C ATOM 305 CD1 TYR A 23 -4.795 1.896 -10.457 1.00 0.00 C ATOM 306 CD2 TYR A 23 -7.132 2.206 -10.106 1.00 0.00 C ATOM 307 CE1 TYR A 23 -4.957 0.528 -10.365 1.00 0.00 C ATOM 308 CE2 TYR A 23 -7.304 0.838 -10.011 1.00 0.00 C ATOM 309 CZ TYR A 23 -6.213 0.004 -10.142 1.00 0.00 C ATOM 310 OH TYR A 23 -6.379 -1.360 -10.048 1.00 0.00 O ATOM 0 H TYR A 23 -3.722 4.045 -11.945 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.547 4.368 -12.402 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.757 4.533 -9.951 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.494 4.750 -9.882 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.810 2.303 -10.631 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.988 2.857 -10.004 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.105 -0.128 -10.467 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.286 0.425 -9.835 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.144 -1.557 -9.468 1.00 0.00 H new ATOM 320 N PRO A 24 -6.942 6.811 -12.326 1.00 0.00 N ATOM 321 CA PRO A 24 -7.195 8.254 -12.390 1.00 0.00 C ATOM 322 C PRO A 24 -7.341 8.879 -11.007 1.00 0.00 C ATOM 323 O PRO A 24 -6.725 9.900 -10.709 1.00 0.00 O ATOM 324 CB PRO A 24 -8.512 8.348 -13.163 1.00 0.00 C ATOM 325 CG PRO A 24 -9.188 7.044 -12.921 1.00 0.00 C ATOM 326 CD PRO A 24 -8.090 6.023 -12.805 1.00 0.00 C ATOM 0 HA PRO A 24 -6.371 8.793 -12.858 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.120 9.181 -12.809 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.336 8.511 -14.226 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.787 7.078 -12.011 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.865 6.798 -13.739 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.352 5.229 -12.106 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.880 5.548 -13.763 1.00 0.00 H new ATOM 334 N ASN A 25 -8.163 8.258 -10.167 1.00 0.00 N ATOM 335 CA ASN A 25 -8.391 8.755 -8.814 1.00 0.00 C ATOM 336 C ASN A 25 -7.286 8.291 -7.870 1.00 0.00 C ATOM 337 O ASN A 25 -7.523 8.062 -6.685 1.00 0.00 O ATOM 338 CB ASN A 25 -9.751 8.282 -8.297 1.00 0.00 C ATOM 339 CG ASN A 25 -9.859 6.770 -8.257 1.00 0.00 C ATOM 340 OD1 ASN A 25 -9.421 6.080 -9.178 1.00 0.00 O ATOM 341 ND2 ASN A 25 -10.446 6.246 -7.187 1.00 0.00 N ATOM 0 H ASN A 25 -8.682 7.411 -10.399 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.381 9.844 -8.848 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.916 8.682 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.539 8.683 -8.934 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.548 5.234 -7.105 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.795 6.855 -6.447 1.00 0.00 H new ATOM 348 N VAL A 26 -6.076 8.155 -8.406 1.00 0.00 N ATOM 349 CA VAL A 26 -4.934 7.720 -7.612 1.00 0.00 C ATOM 350 C VAL A 26 -3.697 8.556 -7.924 1.00 0.00 C ATOM 351 O VAL A 26 -3.416 8.857 -9.083 1.00 0.00 O ATOM 352 CB VAL A 26 -4.611 6.235 -7.860 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.439 5.792 -6.996 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.835 5.372 -7.594 1.00 0.00 C ATOM 0 H VAL A 26 -5.863 8.340 -9.386 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.207 7.855 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.328 6.112 -8.906 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.225 4.740 -7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.561 6.390 -7.239 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.690 5.928 -5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.589 4.326 -7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.150 5.497 -6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.644 5.674 -8.259 1.00 0.00 H new ATOM 364 N ASN A 27 -2.963 8.929 -6.881 1.00 0.00 N ATOM 365 CA ASN A 27 -1.755 9.731 -7.044 1.00 0.00 C ATOM 366 C ASN A 27 -0.895 9.679 -5.786 1.00 0.00 C ATOM 367 O ASN A 27 -1.306 10.138 -4.720 1.00 0.00 O ATOM 368 CB ASN A 27 -2.121 11.181 -7.366 1.00 0.00 C ATOM 369 CG ASN A 27 -0.923 11.993 -7.818 1.00 0.00 C ATOM 370 OD1 ASN A 27 0.132 11.442 -8.131 1.00 0.00 O ATOM 371 ND2 ASN A 27 -1.082 13.311 -7.853 1.00 0.00 N ATOM 0 H ASN A 27 -3.183 8.689 -5.914 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.181 9.316 -7.872 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.882 11.196 -8.146 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.560 11.647 -6.484 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.311 13.910 -8.148 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.975 13.724 -7.585 1.00 0.00 H new ATOM 378 N VAL A 28 0.304 9.119 -5.918 1.00 0.00 N ATOM 379 CA VAL A 28 1.224 9.008 -4.792 1.00 0.00 C ATOM 380 C VAL A 28 2.310 10.075 -4.864 1.00 0.00 C ATOM 381 O VAL A 28 3.349 9.878 -5.495 1.00 0.00 O ATOM 382 CB VAL A 28 1.887 7.619 -4.743 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.727 7.472 -3.483 1.00 0.00 C ATOM 384 CG2 VAL A 28 0.834 6.524 -4.823 1.00 0.00 C ATOM 0 H VAL A 28 0.661 8.735 -6.793 1.00 0.00 H new ATOM 0 HA VAL A 28 0.635 9.153 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 28 2.548 7.520 -5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.188 6.484 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.505 8.235 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.091 7.591 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.320 5.549 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.147 6.618 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.280 6.619 -5.757 1.00 0.00 H new ATOM 394 N HIS A 29 2.063 11.208 -4.213 1.00 0.00 N ATOM 395 CA HIS A 29 3.022 12.309 -4.203 1.00 0.00 C ATOM 396 C HIS A 29 3.693 12.430 -2.838 1.00 0.00 C ATOM 397 O HIS A 29 4.853 12.827 -2.740 1.00 0.00 O ATOM 398 CB HIS A 29 2.326 13.622 -4.562 1.00 0.00 C ATOM 399 CG HIS A 29 3.249 14.801 -4.584 1.00 0.00 C ATOM 400 ND1 HIS A 29 4.235 14.967 -5.535 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.332 15.877 -3.767 1.00 0.00 C ATOM 402 CE1 HIS A 29 4.884 16.094 -5.300 1.00 0.00 C ATOM 403 NE2 HIS A 29 4.356 16.665 -4.232 1.00 0.00 N ATOM 0 H HIS A 29 1.208 11.388 -3.686 1.00 0.00 H new ATOM 0 HA HIS A 29 3.789 12.099 -4.948 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.857 13.520 -5.541 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.528 13.809 -3.844 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.708 16.078 -2.909 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.707 16.482 -5.882 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.659 17.547 -3.820 1.00 0.00 H new ATOM 412 N ASN A 30 2.955 12.086 -1.788 1.00 0.00 N ATOM 413 CA ASN A 30 3.478 12.159 -0.429 1.00 0.00 C ATOM 414 C ASN A 30 3.122 10.903 0.360 1.00 0.00 C ATOM 415 O ASN A 30 2.373 10.049 -0.117 1.00 0.00 O ATOM 416 CB ASN A 30 2.931 13.395 0.286 1.00 0.00 C ATOM 417 CG ASN A 30 1.482 13.674 -0.068 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.606 12.722 0.233 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.156 14.732 -0.606 1.00 0.00 N flip ATOM 0 H ASN A 30 1.993 11.754 -1.852 1.00 0.00 H new ATOM 0 HA ASN A 30 4.564 12.233 -0.489 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.019 13.257 1.364 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.539 14.261 0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.864 15.435 -0.819 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.178 14.906 -0.839 1.00 0.00 H new ATOM 426 N PHE A 31 3.664 10.795 1.568 1.00 0.00 N ATOM 427 CA PHE A 31 3.403 9.643 2.423 1.00 0.00 C ATOM 428 C PHE A 31 2.523 10.032 3.608 1.00 0.00 C ATOM 429 O PHE A 31 2.585 9.416 4.671 1.00 0.00 O ATOM 430 CB PHE A 31 4.719 9.047 2.926 1.00 0.00 C ATOM 431 CG PHE A 31 5.427 8.207 1.902 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.846 7.047 1.416 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.674 8.579 1.423 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.496 6.273 0.473 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.328 7.809 0.481 1.00 0.00 C ATOM 436 CZ PHE A 31 6.739 6.654 0.004 1.00 0.00 C ATOM 0 H PHE A 31 4.287 11.491 1.977 1.00 0.00 H new ATOM 0 HA PHE A 31 2.875 8.895 1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.379 9.856 3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.519 8.439 3.808 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.875 6.744 1.778 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.139 9.481 1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.033 5.371 0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.299 8.110 0.118 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.248 6.051 -0.733 1.00 0.00 H new ATOM 446 N THR A 32 1.703 11.060 3.415 1.00 0.00 N ATOM 447 CA THR A 32 0.811 11.535 4.466 1.00 0.00 C ATOM 448 C THR A 32 -0.620 11.661 3.957 1.00 0.00 C ATOM 449 O THR A 32 -1.477 10.832 4.268 1.00 0.00 O ATOM 450 CB THR A 32 1.269 12.897 5.019 1.00 0.00 C ATOM 451 OG1 THR A 32 1.276 13.874 3.971 1.00 0.00 O ATOM 452 CG2 THR A 32 2.657 12.794 5.632 1.00 0.00 C ATOM 0 H THR A 32 1.638 11.580 2.540 1.00 0.00 H new ATOM 0 HA THR A 32 0.845 10.796 5.267 1.00 0.00 H new ATOM 0 HB THR A 32 0.568 13.203 5.796 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.567 14.738 4.331 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.959 13.769 6.016 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.642 12.072 6.448 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.367 12.468 4.872 1.00 0.00 H new ATOM 460 N THR A 33 -0.874 12.702 3.170 1.00 0.00 N ATOM 461 CA THR A 33 -2.202 12.937 2.618 1.00 0.00 C ATOM 462 C THR A 33 -2.413 12.141 1.334 1.00 0.00 C ATOM 463 O THR A 33 -3.147 12.566 0.442 1.00 0.00 O ATOM 464 CB THR A 33 -2.434 14.431 2.326 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.477 14.898 1.368 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.326 15.254 3.600 1.00 0.00 C ATOM 0 H THR A 33 -0.177 13.396 2.901 1.00 0.00 H new ATOM 0 HA THR A 33 -2.919 12.606 3.370 1.00 0.00 H new ATOM 0 HB THR A 33 -3.439 14.547 1.921 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.834 14.184 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.494 16.306 3.369 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.075 14.916 4.316 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.332 15.131 4.030 1.00 0.00 H new ATOM 474 N SER A 34 -1.763 10.985 1.246 1.00 0.00 N ATOM 475 CA SER A 34 -1.876 10.132 0.070 1.00 0.00 C ATOM 476 C SER A 34 -2.535 8.802 0.424 1.00 0.00 C ATOM 477 O SER A 34 -3.142 8.151 -0.427 1.00 0.00 O ATOM 478 CB SER A 34 -0.496 9.882 -0.541 1.00 0.00 C ATOM 479 OG SER A 34 -0.592 9.092 -1.714 1.00 0.00 O ATOM 0 H SER A 34 -1.152 10.618 1.976 1.00 0.00 H new ATOM 0 HA SER A 34 -2.501 10.645 -0.660 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.022 10.834 -0.778 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.142 9.381 0.187 1.00 0.00 H new ATOM 0 HG SER A 34 0.224 8.560 -1.818 1.00 0.00 H new ATOM 485 N TRP A 35 -2.412 8.406 1.686 1.00 0.00 N ATOM 486 CA TRP A 35 -2.995 7.154 2.154 1.00 0.00 C ATOM 487 C TRP A 35 -4.100 7.415 3.172 1.00 0.00 C ATOM 488 O TRP A 35 -4.663 6.481 3.744 1.00 0.00 O ATOM 489 CB TRP A 35 -1.915 6.264 2.772 1.00 0.00 C ATOM 490 CG TRP A 35 -0.640 6.246 1.986 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.272 7.257 1.879 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.136 5.163 1.196 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.313 6.868 1.070 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.087 5.588 0.639 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.596 3.876 0.906 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.851 4.771 -0.191 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.163 3.067 0.082 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.375 3.516 -0.458 1.00 0.00 C ATOM 0 H TRP A 35 -1.914 8.934 2.403 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.431 6.642 1.296 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.705 6.610 3.784 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.297 5.246 2.855 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.188 8.221 2.359 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.123 7.440 0.830 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.528 3.520 1.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.785 5.116 -0.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.184 2.071 -0.150 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.945 2.859 -1.098 1.00 0.00 H new ATOM 509 N ARG A 36 -4.405 8.689 3.393 1.00 0.00 N ATOM 510 CA ARG A 36 -5.443 9.072 4.343 1.00 0.00 C ATOM 511 C ARG A 36 -6.789 8.471 3.950 1.00 0.00 C ATOM 512 O ARG A 36 -7.492 7.897 4.782 1.00 0.00 O ATOM 513 CB ARG A 36 -5.556 10.596 4.421 1.00 0.00 C ATOM 514 CG ARG A 36 -6.492 11.082 5.514 1.00 0.00 C ATOM 515 CD ARG A 36 -7.089 12.438 5.174 1.00 0.00 C ATOM 516 NE ARG A 36 -8.176 12.801 6.081 1.00 0.00 N ATOM 517 CZ ARG A 36 -8.748 14.001 6.100 1.00 0.00 C ATOM 518 NH1 ARG A 36 -8.338 14.946 5.267 1.00 0.00 N ATOM 519 NH2 ARG A 36 -9.731 14.254 6.955 1.00 0.00 N ATOM 0 H ARG A 36 -3.949 9.474 2.928 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.164 8.684 5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.565 11.017 4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.905 10.976 3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.293 10.357 5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.949 11.148 6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.310 13.199 5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.461 12.424 4.150 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.514 12.095 6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.582 14.754 4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.778 15.866 5.283 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.048 13.528 7.598 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.170 15.175 6.970 1.00 0.00 H new ATOM 533 N ASP A 37 -7.143 8.608 2.676 1.00 0.00 N ATOM 534 CA ASP A 37 -8.404 8.080 2.172 1.00 0.00 C ATOM 535 C ASP A 37 -8.420 6.556 2.238 1.00 0.00 C ATOM 536 O ASP A 37 -9.289 5.961 2.873 1.00 0.00 O ATOM 537 CB ASP A 37 -8.638 8.542 0.732 1.00 0.00 C ATOM 538 CG ASP A 37 -8.537 10.047 0.585 1.00 0.00 C ATOM 539 OD1 ASP A 37 -9.109 10.765 1.431 1.00 0.00 O ATOM 540 OD2 ASP A 37 -7.888 10.508 -0.378 1.00 0.00 O ATOM 0 H ASP A 37 -6.573 9.081 1.974 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.206 8.463 2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.908 8.066 0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.624 8.213 0.403 1.00 0.00 H new ATOM 545 N GLY A 38 -7.452 5.929 1.577 1.00 0.00 N ATOM 546 CA GLY A 38 -7.372 4.480 1.573 1.00 0.00 C ATOM 547 C GLY A 38 -7.195 3.913 0.179 1.00 0.00 C ATOM 548 O GLY A 38 -6.487 2.924 -0.012 1.00 0.00 O ATOM 0 H GLY A 38 -6.721 6.399 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.538 4.164 2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.278 4.068 2.017 1.00 0.00 H new ATOM 552 N LEU A 39 -7.842 4.538 -0.799 1.00 0.00 N ATOM 553 CA LEU A 39 -7.754 4.089 -2.184 1.00 0.00 C ATOM 554 C LEU A 39 -6.360 3.554 -2.496 1.00 0.00 C ATOM 555 O LEU A 39 -6.203 2.399 -2.891 1.00 0.00 O ATOM 556 CB LEU A 39 -8.096 5.237 -3.136 1.00 0.00 C ATOM 557 CG LEU A 39 -9.567 5.650 -3.189 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.734 6.932 -3.989 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.414 4.534 -3.785 1.00 0.00 C ATOM 0 H LEU A 39 -8.433 5.357 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.473 3.282 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.505 6.107 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.782 4.955 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.908 5.834 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.788 7.210 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.160 7.731 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.374 6.776 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.458 4.846 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.071 4.318 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.320 3.638 -3.171 1.00 0.00 H new ATOM 571 N ALA A 40 -5.352 4.399 -2.312 1.00 0.00 N ATOM 572 CA ALA A 40 -3.971 4.009 -2.569 1.00 0.00 C ATOM 573 C ALA A 40 -3.730 2.556 -2.177 1.00 0.00 C ATOM 574 O ALA A 40 -3.330 1.737 -3.006 1.00 0.00 O ATOM 575 CB ALA A 40 -3.016 4.927 -1.820 1.00 0.00 C ATOM 0 H ALA A 40 -5.465 5.359 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.784 4.104 -3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.988 4.625 -2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.163 5.955 -2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.211 4.860 -0.750 1.00 0.00 H new ATOM 581 N PHE A 41 -3.974 2.241 -0.909 1.00 0.00 N ATOM 582 CA PHE A 41 -3.780 0.886 -0.407 1.00 0.00 C ATOM 583 C PHE A 41 -4.606 -0.115 -1.212 1.00 0.00 C ATOM 584 O PHE A 41 -4.129 -1.197 -1.551 1.00 0.00 O ATOM 585 CB PHE A 41 -4.163 0.808 1.072 1.00 0.00 C ATOM 586 CG PHE A 41 -3.132 1.400 1.990 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.833 0.920 1.996 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.463 2.437 2.847 1.00 0.00 C ATOM 589 CE1 PHE A 41 -0.882 1.462 2.840 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.517 2.984 3.692 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.225 2.496 3.689 1.00 0.00 C ATOM 0 H PHE A 41 -4.306 2.906 -0.211 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.726 0.632 -0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.111 1.325 1.221 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.323 -0.236 1.343 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.560 0.112 1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.472 2.822 2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.127 1.078 2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.788 3.793 4.355 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.484 2.922 4.349 1.00 0.00 H new ATOM 601 N ASN A 42 -5.846 0.257 -1.512 1.00 0.00 N ATOM 602 CA ASN A 42 -6.739 -0.609 -2.274 1.00 0.00 C ATOM 603 C ASN A 42 -6.328 -0.654 -3.744 1.00 0.00 C ATOM 604 O ASN A 42 -6.974 -1.311 -4.559 1.00 0.00 O ATOM 605 CB ASN A 42 -8.184 -0.120 -2.153 1.00 0.00 C ATOM 606 CG ASN A 42 -8.649 -0.045 -0.712 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.987 -1.061 -0.103 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.668 1.162 -0.158 1.00 0.00 N ATOM 0 H ASN A 42 -6.255 1.151 -1.240 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.667 -1.616 -1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.271 0.865 -2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.839 -0.790 -2.709 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.971 1.274 0.809 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.379 1.976 -0.700 1.00 0.00 H new ATOM 615 N ALA A 43 -5.248 0.047 -4.072 1.00 0.00 N ATOM 616 CA ALA A 43 -4.750 0.084 -5.441 1.00 0.00 C ATOM 617 C ALA A 43 -3.597 -0.895 -5.632 1.00 0.00 C ATOM 618 O ALA A 43 -3.499 -1.560 -6.664 1.00 0.00 O ATOM 619 CB ALA A 43 -4.311 1.496 -5.805 1.00 0.00 C ATOM 0 H ALA A 43 -4.702 0.597 -3.409 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.561 -0.216 -6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.941 1.509 -6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.159 2.175 -5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.518 1.816 -5.129 1.00 0.00 H new ATOM 625 N ILE A 44 -2.726 -0.979 -4.633 1.00 0.00 N ATOM 626 CA ILE A 44 -1.580 -1.879 -4.692 1.00 0.00 C ATOM 627 C ILE A 44 -2.028 -3.332 -4.801 1.00 0.00 C ATOM 628 O ILE A 44 -1.510 -4.093 -5.618 1.00 0.00 O ATOM 629 CB ILE A 44 -0.678 -1.724 -3.453 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.252 -0.265 -3.285 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.541 -2.627 -3.569 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.254 0.063 -1.898 1.00 0.00 C ATOM 0 H ILE A 44 -2.791 -0.435 -3.773 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.011 -1.608 -5.582 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.244 -2.022 -2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.529 -0.038 -4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.099 0.381 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.169 -2.506 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.219 -3.665 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.110 -2.357 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.538 1.114 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.532 -0.132 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.121 -0.557 -1.671 1.00 0.00 H new ATOM 644 N VAL A 45 -2.996 -3.712 -3.973 1.00 0.00 N ATOM 645 CA VAL A 45 -3.516 -5.074 -3.979 1.00 0.00 C ATOM 646 C VAL A 45 -4.222 -5.387 -5.293 1.00 0.00 C ATOM 647 O VAL A 45 -3.790 -6.258 -6.050 1.00 0.00 O ATOM 648 CB VAL A 45 -4.498 -5.305 -2.815 1.00 0.00 C ATOM 649 CG1 VAL A 45 -5.028 -6.731 -2.837 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.828 -4.998 -1.484 1.00 0.00 C ATOM 0 H VAL A 45 -3.436 -3.096 -3.290 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.661 -5.739 -3.861 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.343 -4.627 -2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.720 -6.875 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.547 -6.912 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.197 -7.430 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.536 -5.167 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.964 -5.650 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.503 -3.958 -1.472 1.00 0.00 H new ATOM 660 N HIS A 46 -5.310 -4.672 -5.560 1.00 0.00 N ATOM 661 CA HIS A 46 -6.076 -4.873 -6.784 1.00 0.00 C ATOM 662 C HIS A 46 -5.156 -5.221 -7.951 1.00 0.00 C ATOM 663 O HIS A 46 -5.354 -6.226 -8.634 1.00 0.00 O ATOM 664 CB HIS A 46 -6.886 -3.619 -7.116 1.00 0.00 C ATOM 665 CG HIS A 46 -8.023 -3.872 -8.057 1.00 0.00 C ATOM 666 ND1 HIS A 46 -7.964 -3.585 -9.404 1.00 0.00 N ATOM 667 CD2 HIS A 46 -9.255 -4.389 -7.839 1.00 0.00 C ATOM 668 CE1 HIS A 46 -9.110 -3.914 -9.973 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.911 -4.405 -9.045 1.00 0.00 N ATOM 0 H HIS A 46 -5.681 -3.948 -4.945 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.760 -5.706 -6.622 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.278 -3.194 -6.192 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.222 -2.873 -7.553 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -7.161 -3.182 -9.886 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.649 -4.726 -6.892 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.351 -3.801 -11.020 1.00 0.00 H new ATOM 678 N LYS A 47 -4.148 -4.384 -8.173 1.00 0.00 N ATOM 679 CA LYS A 47 -3.196 -4.602 -9.255 1.00 0.00 C ATOM 680 C LYS A 47 -2.654 -6.027 -9.223 1.00 0.00 C ATOM 681 O LYS A 47 -2.519 -6.674 -10.262 1.00 0.00 O ATOM 682 CB LYS A 47 -2.041 -3.603 -9.156 1.00 0.00 C ATOM 683 CG LYS A 47 -1.216 -3.498 -10.427 1.00 0.00 C ATOM 684 CD LYS A 47 -1.810 -2.489 -11.396 1.00 0.00 C ATOM 685 CE LYS A 47 -0.744 -1.890 -12.299 1.00 0.00 C ATOM 686 NZ LYS A 47 -0.316 -2.843 -13.360 1.00 0.00 N ATOM 0 H LYS A 47 -3.970 -3.548 -7.617 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.718 -4.451 -10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.442 -2.620 -8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.389 -3.895 -8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.196 -3.206 -10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.160 -4.475 -10.907 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.574 -2.973 -12.005 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.304 -1.694 -10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.129 -0.981 -12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.120 -1.602 -11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.411 -2.397 -13.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.075 -3.700 -12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.135 -3.098 -13.948 1.00 0.00 H new ATOM 700 N HIS A 48 -2.345 -6.512 -8.025 1.00 0.00 N ATOM 701 CA HIS A 48 -1.819 -7.862 -7.858 1.00 0.00 C ATOM 702 C HIS A 48 -2.928 -8.900 -8.009 1.00 0.00 C ATOM 703 O HIS A 48 -2.790 -9.863 -8.762 1.00 0.00 O ATOM 704 CB HIS A 48 -1.152 -8.006 -6.490 1.00 0.00 C ATOM 705 CG HIS A 48 -0.124 -6.953 -6.211 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.089 -6.194 -5.110 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 0.835 -6.576 -7.126 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.164 -5.383 -5.378 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.596 -5.632 -6.600 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.450 -5.990 -7.155 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.076 -8.035 -8.636 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.918 -7.968 -5.716 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.682 -8.987 -6.426 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.449 -6.220 -4.244 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.947 -6.988 -8.118 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.588 -4.658 -4.699 1.00 0.00 H new ATOM 718 N ARG A 49 -4.025 -8.694 -7.287 1.00 0.00 N ATOM 719 CA ARG A 49 -5.156 -9.612 -7.339 1.00 0.00 C ATOM 720 C ARG A 49 -6.463 -8.855 -7.556 1.00 0.00 C ATOM 721 O ARG A 49 -7.113 -8.406 -6.611 1.00 0.00 O ATOM 722 CB ARG A 49 -5.236 -10.430 -6.049 1.00 0.00 C ATOM 723 CG ARG A 49 -3.950 -11.166 -5.713 1.00 0.00 C ATOM 724 CD ARG A 49 -3.749 -12.375 -6.612 1.00 0.00 C ATOM 725 NE ARG A 49 -4.679 -13.456 -6.292 1.00 0.00 N ATOM 726 CZ ARG A 49 -4.444 -14.733 -6.569 1.00 0.00 C ATOM 727 NH1 ARG A 49 -3.315 -15.089 -7.168 1.00 0.00 N ATOM 728 NH2 ARG A 49 -5.338 -15.659 -6.247 1.00 0.00 N ATOM 0 H ARG A 49 -4.154 -7.900 -6.660 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.004 -10.287 -8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.491 -9.766 -5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.046 -11.154 -6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.103 -10.488 -5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.974 -11.486 -4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.882 -12.079 -7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.725 -12.736 -6.511 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.557 -13.216 -5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.625 -14.381 -7.417 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.137 -16.071 -7.379 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.207 -15.390 -5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.156 -16.640 -6.460 1.00 0.00 H new ATOM 742 N PRO A 50 -6.857 -8.706 -8.830 1.00 0.00 N ATOM 743 CA PRO A 50 -8.088 -8.003 -9.201 1.00 0.00 C ATOM 744 C PRO A 50 -9.340 -8.775 -8.801 1.00 0.00 C ATOM 745 O PRO A 50 -10.460 -8.356 -9.092 1.00 0.00 O ATOM 746 CB PRO A 50 -7.991 -7.896 -10.725 1.00 0.00 C ATOM 747 CG PRO A 50 -7.114 -9.030 -11.128 1.00 0.00 C ATOM 748 CD PRO A 50 -6.130 -9.214 -10.005 1.00 0.00 C ATOM 0 HA PRO A 50 -8.174 -7.040 -8.697 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.974 -7.970 -11.191 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.566 -6.939 -11.029 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.698 -9.937 -11.288 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.601 -8.812 -12.065 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.850 -10.260 -9.883 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.210 -8.656 -10.181 1.00 0.00 H new ATOM 756 N ASP A 51 -9.143 -9.905 -8.130 1.00 0.00 N ATOM 757 CA ASP A 51 -10.257 -10.736 -7.688 1.00 0.00 C ATOM 758 C ASP A 51 -10.647 -10.403 -6.252 1.00 0.00 C ATOM 759 O ASP A 51 -11.830 -10.284 -5.930 1.00 0.00 O ATOM 760 CB ASP A 51 -9.893 -12.217 -7.801 1.00 0.00 C ATOM 761 CG ASP A 51 -9.202 -12.545 -9.110 1.00 0.00 C ATOM 762 OD1 ASP A 51 -7.965 -12.391 -9.181 1.00 0.00 O ATOM 763 OD2 ASP A 51 -9.897 -12.956 -10.063 1.00 0.00 O ATOM 0 H ASP A 51 -8.222 -10.266 -7.880 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.110 -10.530 -8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.242 -12.493 -6.971 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.798 -12.818 -7.710 1.00 0.00 H new ATOM 768 N LEU A 52 -9.645 -10.256 -5.391 1.00 0.00 N ATOM 769 CA LEU A 52 -9.883 -9.938 -3.988 1.00 0.00 C ATOM 770 C LEU A 52 -10.929 -8.837 -3.849 1.00 0.00 C ATOM 771 O LEU A 52 -12.029 -9.070 -3.347 1.00 0.00 O ATOM 772 CB LEU A 52 -8.579 -9.506 -3.315 1.00 0.00 C ATOM 773 CG LEU A 52 -7.440 -10.526 -3.342 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.239 -10.005 -2.566 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.905 -11.860 -2.776 1.00 0.00 C ATOM 0 H LEU A 52 -8.661 -10.352 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.259 -10.835 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.232 -8.591 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.794 -9.259 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.139 -10.679 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.438 -10.744 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.891 -9.075 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.526 -9.823 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.082 -12.574 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.233 -11.724 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.734 -12.240 -3.373 1.00 0.00 H new ATOM 787 N LEU A 53 -10.580 -7.636 -4.297 1.00 0.00 N ATOM 788 CA LEU A 53 -11.490 -6.498 -4.225 1.00 0.00 C ATOM 789 C LEU A 53 -11.756 -5.925 -5.614 1.00 0.00 C ATOM 790 O LEU A 53 -11.126 -6.325 -6.592 1.00 0.00 O ATOM 791 CB LEU A 53 -10.910 -5.413 -3.316 1.00 0.00 C ATOM 792 CG LEU A 53 -9.681 -4.676 -3.849 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.409 -3.427 -3.024 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.467 -5.594 -3.848 1.00 0.00 C ATOM 0 H LEU A 53 -9.673 -7.425 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.435 -6.846 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.691 -4.679 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.649 -5.869 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.880 -4.371 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.531 -2.915 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.271 -2.762 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.230 -3.708 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.601 -5.053 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.265 -5.929 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.664 -6.458 -4.482 1.00 0.00 H new ATOM 806 N ASP A 54 -12.690 -4.984 -5.690 1.00 0.00 N ATOM 807 CA ASP A 54 -13.038 -4.352 -6.957 1.00 0.00 C ATOM 808 C ASP A 54 -12.882 -2.837 -6.871 1.00 0.00 C ATOM 809 O ASP A 54 -13.812 -2.128 -6.484 1.00 0.00 O ATOM 810 CB ASP A 54 -14.472 -4.709 -7.354 1.00 0.00 C ATOM 811 CG ASP A 54 -14.580 -6.099 -7.948 1.00 0.00 C ATOM 812 OD1 ASP A 54 -13.962 -6.342 -9.005 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.283 -6.944 -7.354 1.00 0.00 O ATOM 0 H ASP A 54 -13.220 -4.642 -4.889 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.355 -4.726 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.116 -4.641 -6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.838 -3.979 -8.076 1.00 0.00 H new ATOM 818 N PHE A 55 -11.701 -2.347 -7.231 1.00 0.00 N ATOM 819 CA PHE A 55 -11.423 -0.916 -7.192 1.00 0.00 C ATOM 820 C PHE A 55 -12.561 -0.123 -7.827 1.00 0.00 C ATOM 821 O PHE A 55 -13.030 0.867 -7.266 1.00 0.00 O ATOM 822 CB PHE A 55 -10.109 -0.611 -7.914 1.00 0.00 C ATOM 823 CG PHE A 55 -9.386 0.584 -7.363 1.00 0.00 C ATOM 824 CD1 PHE A 55 -8.801 0.539 -6.107 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.292 1.755 -8.100 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.134 1.637 -5.597 1.00 0.00 C ATOM 827 CE2 PHE A 55 -8.626 2.855 -7.595 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.048 2.797 -6.342 1.00 0.00 C ATOM 0 H PHE A 55 -10.921 -2.920 -7.553 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.334 -0.617 -6.148 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.457 -1.482 -7.849 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.315 -0.445 -8.972 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.867 -0.365 -5.520 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.744 1.808 -9.079 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.681 1.588 -4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.557 3.760 -8.180 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.530 3.657 -5.945 1.00 0.00 H new ATOM 838 N GLU A 56 -13.001 -0.566 -9.001 1.00 0.00 N ATOM 839 CA GLU A 56 -14.084 0.103 -9.712 1.00 0.00 C ATOM 840 C GLU A 56 -15.353 0.137 -8.866 1.00 0.00 C ATOM 841 O GLU A 56 -16.177 1.041 -8.999 1.00 0.00 O ATOM 842 CB GLU A 56 -14.362 -0.602 -11.041 1.00 0.00 C ATOM 843 CG GLU A 56 -14.742 -2.066 -10.886 1.00 0.00 C ATOM 844 CD GLU A 56 -15.352 -2.646 -12.147 1.00 0.00 C ATOM 845 OE1 GLU A 56 -15.875 -1.863 -12.967 1.00 0.00 O ATOM 846 OE2 GLU A 56 -15.306 -3.884 -12.313 1.00 0.00 O ATOM 0 H GLU A 56 -12.624 -1.384 -9.479 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.774 1.129 -9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.166 -0.079 -11.559 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.477 -0.530 -11.673 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.856 -2.641 -10.618 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.450 -2.169 -10.064 1.00 0.00 H new ATOM 853 N SER A 57 -15.503 -0.856 -7.995 1.00 0.00 N ATOM 854 CA SER A 57 -16.673 -0.944 -7.130 1.00 0.00 C ATOM 855 C SER A 57 -16.559 0.031 -5.962 1.00 0.00 C ATOM 856 O SER A 57 -17.518 0.724 -5.620 1.00 0.00 O ATOM 857 CB SER A 57 -16.837 -2.371 -6.602 1.00 0.00 C ATOM 858 OG SER A 57 -18.197 -2.658 -6.326 1.00 0.00 O ATOM 0 H SER A 57 -14.828 -1.611 -7.870 1.00 0.00 H new ATOM 0 HA SER A 57 -17.551 -0.678 -7.719 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.454 -3.080 -7.336 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.244 -2.498 -5.696 1.00 0.00 H new ATOM 0 HG SER A 57 -18.276 -3.576 -5.992 1.00 0.00 H new ATOM 864 N LEU A 58 -15.379 0.080 -5.354 1.00 0.00 N ATOM 865 CA LEU A 58 -15.138 0.971 -4.224 1.00 0.00 C ATOM 866 C LEU A 58 -15.759 2.342 -4.467 1.00 0.00 C ATOM 867 O LEU A 58 -15.772 2.838 -5.594 1.00 0.00 O ATOM 868 CB LEU A 58 -13.634 1.117 -3.975 1.00 0.00 C ATOM 869 CG LEU A 58 -12.861 -0.184 -3.757 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.384 0.104 -3.534 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.439 -0.957 -2.581 1.00 0.00 C ATOM 0 H LEU A 58 -14.575 -0.486 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.606 0.532 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.194 1.640 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.491 1.752 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.959 -0.797 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.850 -0.834 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.977 0.615 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.265 0.737 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.877 -1.880 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.372 -0.350 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.484 -1.196 -2.781 1.00 0.00 H new ATOM 883 N LYS A 59 -16.275 2.950 -3.404 1.00 0.00 N ATOM 884 CA LYS A 59 -16.896 4.266 -3.501 1.00 0.00 C ATOM 885 C LYS A 59 -16.055 5.319 -2.786 1.00 0.00 C ATOM 886 O LYS A 59 -15.582 5.098 -1.671 1.00 0.00 O ATOM 887 CB LYS A 59 -18.305 4.231 -2.904 1.00 0.00 C ATOM 888 CG LYS A 59 -19.355 3.688 -3.858 1.00 0.00 C ATOM 889 CD LYS A 59 -19.983 4.796 -4.687 1.00 0.00 C ATOM 890 CE LYS A 59 -21.213 5.375 -4.003 1.00 0.00 C ATOM 891 NZ LYS A 59 -20.848 6.357 -2.944 1.00 0.00 N ATOM 0 H LYS A 59 -16.275 2.552 -2.465 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.960 4.534 -4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -18.294 3.619 -2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.588 5.239 -2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.900 2.951 -4.520 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -20.130 3.172 -3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -19.252 5.587 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -20.260 4.407 -5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -21.847 5.860 -4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.798 4.567 -3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.665 6.967 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -20.571 5.849 -2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -20.053 6.942 -3.272 1.00 0.00 H new ATOM 905 N LYS A 60 -15.873 6.464 -3.433 1.00 0.00 N ATOM 906 CA LYS A 60 -15.092 7.553 -2.859 1.00 0.00 C ATOM 907 C LYS A 60 -15.933 8.371 -1.884 1.00 0.00 C ATOM 908 O LYS A 60 -15.930 9.601 -1.928 1.00 0.00 O ATOM 909 CB LYS A 60 -14.551 8.459 -3.967 1.00 0.00 C ATOM 910 CG LYS A 60 -13.558 7.770 -4.886 1.00 0.00 C ATOM 911 CD LYS A 60 -13.159 8.665 -6.048 1.00 0.00 C ATOM 912 CE LYS A 60 -12.131 9.702 -5.625 1.00 0.00 C ATOM 913 NZ LYS A 60 -12.728 10.747 -4.746 1.00 0.00 N ATOM 0 H LYS A 60 -16.256 6.663 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.255 7.118 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.386 8.830 -4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.072 9.327 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.670 7.491 -4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.995 6.848 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.752 8.056 -6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.043 9.167 -6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.313 9.209 -5.100 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.704 10.173 -6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.328 11.676 -4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.759 10.768 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.515 10.528 -3.752 1.00 0.00 H new ATOM 927 N CYS A 61 -16.650 7.680 -1.004 1.00 0.00 N ATOM 928 CA CYS A 61 -17.495 8.343 -0.019 1.00 0.00 C ATOM 929 C CYS A 61 -16.993 8.074 1.396 1.00 0.00 C ATOM 930 O CYS A 61 -16.719 9.004 2.155 1.00 0.00 O ATOM 931 CB CYS A 61 -18.943 7.870 -0.156 1.00 0.00 C ATOM 932 SG CYS A 61 -20.059 8.533 1.102 1.00 0.00 S ATOM 0 H CYS A 61 -16.662 6.661 -0.953 1.00 0.00 H new ATOM 0 HA CYS A 61 -17.452 9.416 -0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -19.314 8.153 -1.141 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -18.964 6.781 -0.108 1.00 0.00 H new ATOM 0 HG CYS A 61 -21.260 8.077 0.901 1.00 0.00 H new ATOM 938 N ASN A 62 -16.875 6.797 1.745 1.00 0.00 N ATOM 939 CA ASN A 62 -16.407 6.406 3.070 1.00 0.00 C ATOM 940 C ASN A 62 -14.980 5.871 3.007 1.00 0.00 C ATOM 941 O ASN A 62 -14.726 4.815 2.429 1.00 0.00 O ATOM 942 CB ASN A 62 -17.335 5.348 3.668 1.00 0.00 C ATOM 943 CG ASN A 62 -17.240 5.285 5.181 1.00 0.00 C ATOM 944 OD1 ASN A 62 -16.891 4.116 5.705 1.00 0.00 O flip ATOM 945 ND2 ASN A 62 -17.480 6.277 5.870 1.00 0.00 N flip ATOM 0 H ASN A 62 -17.097 6.015 1.129 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.416 7.290 3.708 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.363 5.566 3.380 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.087 4.372 3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -17.745 7.155 5.424 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.414 6.220 6.886 1.00 0.00 H new ATOM 952 N ALA A 63 -14.051 6.608 3.606 1.00 0.00 N ATOM 953 CA ALA A 63 -12.649 6.208 3.622 1.00 0.00 C ATOM 954 C ALA A 63 -12.417 5.060 4.598 1.00 0.00 C ATOM 955 O ALA A 63 -11.821 4.041 4.245 1.00 0.00 O ATOM 956 CB ALA A 63 -11.765 7.393 3.977 1.00 0.00 C ATOM 0 H ALA A 63 -14.244 7.486 4.087 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.385 5.860 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.721 7.079 3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.901 8.182 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.038 7.768 4.963 1.00 0.00 H new ATOM 962 N HIS A 64 -12.890 5.230 5.829 1.00 0.00 N ATOM 963 CA HIS A 64 -12.734 4.208 6.856 1.00 0.00 C ATOM 964 C HIS A 64 -12.886 2.811 6.261 1.00 0.00 C ATOM 965 O HIS A 64 -12.014 1.958 6.426 1.00 0.00 O ATOM 966 CB HIS A 64 -13.760 4.414 7.971 1.00 0.00 C ATOM 967 CG HIS A 64 -13.639 3.423 9.087 1.00 0.00 C ATOM 968 ND1 HIS A 64 -12.444 3.132 9.709 1.00 0.00 N ATOM 969 CD2 HIS A 64 -14.573 2.655 9.695 1.00 0.00 C ATOM 970 CE1 HIS A 64 -12.648 2.227 10.649 1.00 0.00 C ATOM 971 NE2 HIS A 64 -13.932 1.920 10.661 1.00 0.00 N ATOM 0 H HIS A 64 -13.385 6.067 6.139 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.731 4.299 7.274 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.648 5.420 8.376 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.762 4.351 7.547 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -15.627 2.626 9.463 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.893 1.809 11.298 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -14.375 1.247 11.286 1.00 0.00 H new ATOM 980 N TYR A 65 -13.997 2.586 5.569 1.00 0.00 N ATOM 981 CA TYR A 65 -14.264 1.292 4.952 1.00 0.00 C ATOM 982 C TYR A 65 -13.165 0.925 3.960 1.00 0.00 C ATOM 983 O TYR A 65 -12.635 -0.186 3.987 1.00 0.00 O ATOM 984 CB TYR A 65 -15.620 1.311 4.245 1.00 0.00 C ATOM 985 CG TYR A 65 -15.907 0.056 3.453 1.00 0.00 C ATOM 986 CD1 TYR A 65 -15.381 -0.123 2.179 1.00 0.00 C ATOM 987 CD2 TYR A 65 -16.705 -0.953 3.979 1.00 0.00 C ATOM 988 CE1 TYR A 65 -15.641 -1.268 1.453 1.00 0.00 C ATOM 989 CE2 TYR A 65 -16.970 -2.102 3.259 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.436 -2.254 1.996 1.00 0.00 C ATOM 991 OH TYR A 65 -16.698 -3.398 1.276 1.00 0.00 O ATOM 0 H TYR A 65 -14.727 3.283 5.421 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.283 0.539 5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.406 1.450 4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.659 2.170 3.575 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.758 0.647 1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -17.125 -0.837 4.967 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.223 -1.390 0.465 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -17.592 -2.877 3.683 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.273 -3.992 1.803 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.828 1.866 3.085 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.792 1.642 2.083 1.00 0.00 C ATOM 1003 C ASN A 66 -10.476 1.242 2.741 1.00 0.00 C ATOM 1004 O ASN A 66 -9.764 0.366 2.249 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.590 2.903 1.238 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.725 3.131 0.260 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.344 2.182 -0.222 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -13.002 4.394 -0.041 1.00 0.00 N ATOM 0 H ASN A 66 -13.257 2.791 3.049 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.117 0.827 1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.502 3.768 1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.652 2.823 0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.754 4.609 -0.696 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.463 5.149 0.382 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.158 1.888 3.857 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.927 1.599 4.586 1.00 0.00 C ATOM 1017 C LEU A 67 -8.975 0.205 5.204 1.00 0.00 C ATOM 1018 O LEU A 67 -8.259 -0.699 4.774 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.700 2.646 5.678 1.00 0.00 C ATOM 1020 CG LEU A 67 -8.145 3.992 5.212 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.356 5.054 6.279 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.670 3.871 4.861 1.00 0.00 C ATOM 0 H LEU A 67 -10.736 2.616 4.278 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.098 1.635 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.648 2.823 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.015 2.229 6.416 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.686 4.294 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.955 6.005 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.422 5.161 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.843 4.758 7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.294 4.840 4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.113 3.545 5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.545 3.142 4.060 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.824 0.038 6.212 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.965 -1.246 6.887 1.00 0.00 C ATOM 1036 C GLN A 68 -10.044 -2.386 5.877 1.00 0.00 C ATOM 1037 O GLN A 68 -9.456 -3.447 6.078 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.213 -1.245 7.772 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.511 -1.105 6.994 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.675 -0.688 7.871 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.485 -0.123 8.948 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.891 -0.967 7.414 1.00 0.00 N ATOM 0 H GLN A 68 -10.425 0.776 6.579 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.085 -1.399 7.512 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.242 -2.171 8.346 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.139 -0.427 8.489 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.377 -0.370 6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.746 -2.054 6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.003 -1.437 6.516 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.713 -0.711 7.962 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.775 -2.159 4.791 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.932 -3.167 3.749 1.00 0.00 C ATOM 1053 C ASN A 69 -9.574 -3.685 3.285 1.00 0.00 C ATOM 1054 O ASN A 69 -9.356 -4.893 3.195 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.703 -2.589 2.561 1.00 0.00 C ATOM 1056 CG ASN A 69 -11.904 -3.603 1.452 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -10.940 -3.684 0.542 1.00 0.00 O flip ATOM 1058 ND2 ASN A 69 -12.913 -4.307 1.416 1.00 0.00 N flip ATOM 0 H ASN A 69 -11.269 -1.285 4.609 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.496 -4.001 4.167 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.674 -2.231 2.902 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.165 -1.727 2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.628 -4.210 2.137 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -13.034 -4.987 0.665 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.663 -2.762 2.993 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.326 -3.125 2.541 1.00 0.00 C ATOM 1067 C ALA A 70 -6.538 -3.810 3.652 1.00 0.00 C ATOM 1068 O ALA A 70 -5.980 -4.890 3.457 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.582 -1.892 2.048 1.00 0.00 C ATOM 0 H ALA A 70 -8.827 -1.758 3.062 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.428 -3.829 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.585 -2.178 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.129 -1.445 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.499 -1.169 2.859 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.495 -3.175 4.819 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.773 -3.724 5.961 1.00 0.00 C ATOM 1077 C PHE A 71 -6.235 -5.146 6.265 1.00 0.00 C ATOM 1078 O PHE A 71 -5.432 -6.009 6.617 1.00 0.00 O ATOM 1079 CB PHE A 71 -5.975 -2.837 7.193 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.391 -1.461 7.042 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -4.145 -1.282 6.461 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -6.088 -0.347 7.480 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.605 -0.018 6.323 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.553 0.921 7.344 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.311 1.085 6.763 1.00 0.00 C ATOM 0 H PHE A 71 -6.951 -2.281 4.998 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.713 -3.751 5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.042 -2.750 7.397 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.523 -3.322 8.058 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.590 -2.141 6.112 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.061 -0.470 7.933 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.632 0.108 5.872 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.106 1.781 7.692 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.892 2.074 6.653 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.535 -5.382 6.126 1.00 0.00 N ATOM 1096 CA ASN A 72 -8.105 -6.699 6.387 1.00 0.00 C ATOM 1097 C ASN A 72 -7.754 -7.674 5.266 1.00 0.00 C ATOM 1098 O ASN A 72 -7.297 -8.790 5.520 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.625 -6.600 6.534 1.00 0.00 C ATOM 1100 CG ASN A 72 -10.036 -5.723 7.701 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -9.505 -5.850 8.804 1.00 0.00 O ATOM 1102 ND2 ASN A 72 -10.988 -4.827 7.461 1.00 0.00 N ATOM 0 H ASN A 72 -8.214 -4.679 5.834 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.680 -7.074 7.318 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.051 -6.200 5.614 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.040 -7.599 6.669 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.307 -4.209 8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.400 -4.757 6.530 1.00 0.00 H new ATOM 1109 N LEU A 73 -7.972 -7.247 4.027 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.678 -8.081 2.867 1.00 0.00 C ATOM 1111 C LEU A 73 -6.216 -8.516 2.866 1.00 0.00 C ATOM 1112 O LEU A 73 -5.908 -9.690 2.663 1.00 0.00 O ATOM 1113 CB LEU A 73 -7.998 -7.325 1.577 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.432 -7.455 1.061 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.639 -6.580 -0.166 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -9.755 -8.908 0.744 1.00 0.00 C ATOM 0 H LEU A 73 -8.351 -6.328 3.800 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.303 -8.972 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.785 -6.268 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.320 -7.673 0.798 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.112 -7.115 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.665 -6.685 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.450 -5.538 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.951 -6.888 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.779 -8.982 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.070 -9.275 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.648 -9.510 1.647 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.320 -7.563 3.096 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.891 -7.849 3.125 1.00 0.00 C ATOM 1130 C ALA A 74 -3.516 -8.643 4.372 1.00 0.00 C ATOM 1131 O ALA A 74 -2.675 -9.541 4.316 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.093 -6.554 3.062 1.00 0.00 C ATOM 0 H ALA A 74 -5.558 -6.586 3.265 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.648 -8.456 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.027 -6.782 3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.331 -6.024 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.348 -5.927 3.917 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.143 -8.307 5.494 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.873 -8.990 6.754 1.00 0.00 C ATOM 1140 C GLU A 75 -4.420 -10.415 6.729 1.00 0.00 C ATOM 1141 O GLU A 75 -4.061 -11.244 7.565 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.489 -8.216 7.921 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.241 -8.859 9.275 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.322 -9.850 9.659 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.491 -9.628 9.276 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -5.002 -10.845 10.340 1.00 0.00 O ATOM 0 H GLU A 75 -4.841 -7.566 5.557 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.792 -9.037 6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.084 -7.204 7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.564 -8.128 7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.277 -9.367 9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.180 -8.081 10.036 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.291 -10.691 5.764 1.00 0.00 N ATOM 1154 CA LYS A 76 -5.888 -12.014 5.628 1.00 0.00 C ATOM 1155 C LYS A 76 -5.307 -12.752 4.426 1.00 0.00 C ATOM 1156 O LYS A 76 -4.609 -13.753 4.580 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.407 -11.898 5.483 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.165 -13.084 6.055 1.00 0.00 C ATOM 1159 CD LYS A 76 -8.430 -14.141 4.995 1.00 0.00 C ATOM 1160 CE LYS A 76 -7.310 -15.168 4.940 1.00 0.00 C ATOM 1161 NZ LYS A 76 -7.781 -16.472 4.395 1.00 0.00 N ATOM 0 H LYS A 76 -5.599 -10.016 5.064 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.657 -12.584 6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.743 -10.988 5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.656 -11.794 4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.593 -13.523 6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.111 -12.744 6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.374 -14.642 5.207 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.535 -13.663 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.498 -14.787 4.321 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.905 -15.317 5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.989 -17.146 4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.539 -16.848 5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.145 -16.334 3.430 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.599 -12.249 3.230 1.00 0.00 N ATOM 1176 CA GLU A 77 -5.104 -12.861 2.003 1.00 0.00 C ATOM 1177 C GLU A 77 -3.582 -12.973 2.026 1.00 0.00 C ATOM 1178 O GLU A 77 -3.030 -14.073 2.053 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.550 -12.048 0.785 1.00 0.00 C ATOM 1180 CG GLU A 77 -7.054 -11.845 0.707 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.812 -13.150 0.572 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -7.586 -13.867 -0.426 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -8.632 -13.456 1.463 1.00 0.00 O ATOM 0 H GLU A 77 -6.175 -11.420 3.085 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.523 -13.865 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.061 -11.074 0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.212 -12.551 -0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.393 -11.323 1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.287 -11.204 -0.144 1.00 0.00 H new ATOM 1190 N LEU A 78 -2.912 -11.826 2.013 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.453 -11.793 2.031 1.00 0.00 C ATOM 1192 C LEU A 78 -0.914 -12.314 3.359 1.00 0.00 C ATOM 1193 O LEU A 78 0.056 -13.070 3.393 1.00 0.00 O ATOM 1194 CB LEU A 78 -0.953 -10.367 1.789 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.636 -9.601 0.655 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.328 -8.115 0.756 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.203 -10.147 -0.696 1.00 0.00 C ATOM 0 H LEU A 78 -3.355 -10.907 1.990 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.089 -12.440 1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.076 -9.799 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.116 -10.408 1.581 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.714 -9.736 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.822 -7.585 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.690 -7.732 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.251 -7.961 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.700 -9.589 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.123 -10.044 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.476 -11.200 -0.767 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.551 -11.906 4.453 1.00 0.00 N ATOM 1210 CA GLY A 79 -1.122 -12.344 5.769 1.00 0.00 C ATOM 1211 C GLY A 79 -0.087 -11.419 6.378 1.00 0.00 C ATOM 1212 O GLY A 79 0.945 -11.871 6.876 1.00 0.00 O ATOM 0 H GLY A 79 -2.356 -11.280 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.987 -12.401 6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.709 -13.350 5.697 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.360 -10.119 6.337 1.00 0.00 N ATOM 1217 CA LEU A 80 0.556 -9.127 6.889 1.00 0.00 C ATOM 1218 C LEU A 80 0.098 -8.670 8.270 1.00 0.00 C ATOM 1219 O LEU A 80 -1.102 -8.586 8.542 1.00 0.00 O ATOM 1220 CB LEU A 80 0.662 -7.924 5.950 1.00 0.00 C ATOM 1221 CG LEU A 80 1.433 -8.154 4.649 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.065 -7.100 3.618 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.932 -8.148 4.910 1.00 0.00 C ATOM 0 H LEU A 80 -1.208 -9.728 5.927 1.00 0.00 H new ATOM 0 HA LEU A 80 1.537 -9.591 6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.346 -7.595 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.138 -7.107 6.491 1.00 0.00 H new ATOM 0 HG LEU A 80 1.158 -9.131 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.623 -7.279 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.004 -7.152 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.311 -6.111 4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.465 -8.313 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.224 -7.185 5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.182 -8.941 5.614 1.00 0.00 H new ATOM 1235 N THR A 81 1.058 -8.373 9.139 1.00 0.00 N ATOM 1236 CA THR A 81 0.754 -7.923 10.491 1.00 0.00 C ATOM 1237 C THR A 81 0.330 -6.458 10.501 1.00 0.00 C ATOM 1238 O THR A 81 1.161 -5.560 10.364 1.00 0.00 O ATOM 1239 CB THR A 81 1.963 -8.101 11.429 1.00 0.00 C ATOM 1240 OG1 THR A 81 2.363 -9.476 11.454 1.00 0.00 O ATOM 1241 CG2 THR A 81 1.626 -7.640 12.839 1.00 0.00 C ATOM 0 H THR A 81 2.054 -8.436 8.930 1.00 0.00 H new ATOM 0 HA THR A 81 -0.069 -8.540 10.851 1.00 0.00 H new ATOM 0 HB THR A 81 2.783 -7.490 11.051 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.133 -9.582 12.051 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.495 -7.775 13.483 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.348 -6.586 12.821 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.793 -8.228 13.225 1.00 0.00 H new ATOM 1249 N LYS A 82 -0.967 -6.223 10.665 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.502 -4.867 10.695 1.00 0.00 C ATOM 1251 C LYS A 82 -0.762 -4.013 11.719 1.00 0.00 C ATOM 1252 O LYS A 82 -0.884 -4.228 12.926 1.00 0.00 O ATOM 1253 CB LYS A 82 -2.997 -4.893 11.022 1.00 0.00 C ATOM 1254 CG LYS A 82 -3.886 -4.989 9.793 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.225 -5.629 10.123 1.00 0.00 C ATOM 1256 CE LYS A 82 -6.214 -4.606 10.659 1.00 0.00 C ATOM 1257 NZ LYS A 82 -7.511 -5.233 11.038 1.00 0.00 N ATOM 0 H LYS A 82 -1.668 -6.955 10.779 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.360 -4.425 9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.203 -5.740 11.676 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.255 -3.991 11.577 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.049 -3.993 9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.382 -5.573 9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.635 -6.099 9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.080 -6.418 10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.785 -4.106 11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.388 -3.839 9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.029 -4.599 11.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.079 -5.400 10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.332 -6.139 11.517 1.00 0.00 H new ATOM 1271 N LEU A 83 0.003 -3.043 11.232 1.00 0.00 N ATOM 1272 CA LEU A 83 0.761 -2.154 12.106 1.00 0.00 C ATOM 1273 C LEU A 83 -0.008 -0.864 12.369 1.00 0.00 C ATOM 1274 O LEU A 83 0.115 -0.263 13.438 1.00 0.00 O ATOM 1275 CB LEU A 83 2.122 -1.833 11.484 1.00 0.00 C ATOM 1276 CG LEU A 83 2.840 -3.000 10.804 1.00 0.00 C ATOM 1277 CD1 LEU A 83 3.982 -2.491 9.937 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.355 -3.986 11.843 1.00 0.00 C ATOM 0 H LEU A 83 0.115 -2.852 10.236 1.00 0.00 H new ATOM 0 HA LEU A 83 0.915 -2.664 13.057 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.986 -1.039 10.750 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.772 -1.438 12.265 1.00 0.00 H new ATOM 0 HG LEU A 83 2.127 -3.518 10.162 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.482 -3.335 9.461 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.588 -1.824 9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.696 -1.949 10.557 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.863 -4.810 11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.054 -3.480 12.510 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.517 -4.375 12.422 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.800 -0.443 11.390 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.591 0.777 11.516 1.00 0.00 C ATOM 1292 C LEU A 84 -3.078 0.453 11.618 1.00 0.00 C ATOM 1293 O LEU A 84 -3.467 -0.714 11.665 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.338 1.698 10.323 1.00 0.00 C ATOM 1295 CG LEU A 84 0.123 2.063 10.053 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.285 2.612 8.644 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.620 3.069 11.081 1.00 0.00 C ATOM 0 H LEU A 84 -0.912 -0.928 10.500 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.286 1.286 12.430 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.743 1.222 9.430 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.899 2.620 10.476 1.00 0.00 H new ATOM 0 HG LEU A 84 0.725 1.159 10.139 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.331 2.866 8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.030 1.859 7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.329 3.505 8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.661 3.317 10.874 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.014 3.973 11.028 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.542 2.638 12.079 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.903 1.493 11.648 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.349 1.319 11.739 1.00 0.00 C ATOM 1311 C ASP A 85 -6.072 2.276 10.795 1.00 0.00 C ATOM 1312 O ASP A 85 -5.565 3.341 10.443 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.821 1.547 13.176 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.277 0.508 14.136 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -5.872 -0.586 14.226 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -4.256 0.789 14.799 1.00 0.00 O ATOM 0 H ASP A 85 -3.596 2.465 11.611 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.587 0.297 11.444 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.510 2.539 13.504 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.910 1.529 13.205 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.284 1.887 10.374 1.00 0.00 N ATOM 1322 CA PRO A 86 -8.103 2.695 9.465 1.00 0.00 C ATOM 1323 C PRO A 86 -8.632 3.960 10.131 1.00 0.00 C ATOM 1324 O PRO A 86 -9.348 4.746 9.511 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.258 1.758 9.102 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.355 0.814 10.249 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.951 0.629 10.753 1.00 0.00 C ATOM 0 HA PRO A 86 -7.533 3.045 8.604 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.188 2.310 8.964 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.061 1.229 8.170 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.001 1.215 11.031 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.786 -0.137 9.936 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.929 0.471 11.831 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.470 -0.235 10.294 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.274 4.152 11.396 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.714 5.323 12.145 1.00 0.00 C ATOM 1337 C GLU A 87 -7.534 6.235 12.470 1.00 0.00 C ATOM 1338 O GLU A 87 -7.626 7.457 12.341 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.414 4.896 13.438 1.00 0.00 C ATOM 1340 CG GLU A 87 -10.715 4.147 13.206 1.00 0.00 C ATOM 1341 CD GLU A 87 -11.376 3.714 14.500 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -11.413 4.526 15.449 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -11.858 2.563 14.564 1.00 0.00 O ATOM 0 H GLU A 87 -7.681 3.512 11.924 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.419 5.876 11.524 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.739 4.264 14.015 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.617 5.781 14.041 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.401 4.783 12.646 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.520 3.269 12.590 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.427 5.634 12.892 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.229 6.391 13.235 1.00 0.00 C ATOM 1352 C ASP A 88 -4.636 7.058 11.998 1.00 0.00 C ATOM 1353 O ASP A 88 -4.242 8.225 12.037 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.190 5.476 13.885 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.396 5.337 15.380 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -4.333 6.367 16.085 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -4.618 4.200 15.846 1.00 0.00 O ATOM 0 H ASP A 88 -6.334 4.624 13.005 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.511 7.168 13.945 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.237 4.491 13.421 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.192 5.871 13.694 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.571 6.310 10.901 1.00 0.00 N ATOM 1363 CA VAL A 89 -4.026 6.828 9.653 1.00 0.00 C ATOM 1364 C VAL A 89 -4.888 7.959 9.104 1.00 0.00 C ATOM 1365 O VAL A 89 -4.378 9.013 8.723 1.00 0.00 O ATOM 1366 CB VAL A 89 -3.911 5.722 8.588 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.428 6.300 7.266 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -2.981 4.616 9.067 1.00 0.00 C ATOM 0 H VAL A 89 -4.890 5.342 10.852 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.030 7.210 9.878 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.900 5.292 8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.353 5.503 6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.135 7.053 6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.449 6.759 7.405 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.911 3.843 8.302 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.990 5.030 9.256 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.374 4.183 9.986 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.197 7.733 9.066 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.131 8.734 8.562 1.00 0.00 C ATOM 1380 C ASN A 90 -7.075 10.003 9.407 1.00 0.00 C ATOM 1381 O ASN A 90 -7.823 10.153 10.373 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.555 8.174 8.556 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.575 9.195 8.090 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -9.236 10.344 7.806 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.834 8.780 8.011 1.00 0.00 N ATOM 0 H ASN A 90 -6.635 6.866 9.378 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.842 8.985 7.541 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.596 7.300 7.906 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.814 7.837 9.560 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.565 9.423 7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -11.070 7.819 8.256 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.183 10.915 9.035 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.030 12.173 9.757 1.00 0.00 C ATOM 1394 C VAL A 91 -5.469 13.263 8.850 1.00 0.00 C ATOM 1395 O VAL A 91 -4.831 12.974 7.837 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.105 12.011 10.979 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.677 11.737 10.533 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.170 13.247 11.863 1.00 0.00 C ATOM 0 H VAL A 91 -5.555 10.807 8.238 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.023 12.464 10.099 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.448 11.157 11.564 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.037 11.625 11.409 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.649 10.820 9.944 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.319 12.569 9.926 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.511 13.116 12.721 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.853 14.120 11.292 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.193 13.393 12.210 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.711 14.516 9.220 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.229 15.649 8.440 1.00 0.00 C ATOM 1410 C ASP A 92 -3.763 15.463 8.060 1.00 0.00 C ATOM 1411 O ASP A 92 -3.404 15.525 6.885 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.404 16.949 9.228 1.00 0.00 C ATOM 1413 CG ASP A 92 -5.629 18.146 8.326 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -4.943 18.244 7.288 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -6.491 18.987 8.661 1.00 0.00 O ATOM 0 H ASP A 92 -6.238 14.772 10.055 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.818 15.706 7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.249 16.847 9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.519 17.121 9.841 1.00 0.00 H new ATOM 1420 N GLN A 93 -2.921 15.237 9.064 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.494 15.044 8.833 1.00 0.00 C ATOM 1422 C GLN A 93 -0.969 13.860 9.638 1.00 0.00 C ATOM 1423 O GLN A 93 -0.489 14.005 10.762 1.00 0.00 O ATOM 1424 CB GLN A 93 -0.721 16.311 9.205 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.098 16.878 10.564 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.381 18.176 10.874 1.00 0.00 C ATOM 1427 OE1 GLN A 93 0.703 18.441 10.352 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -0.982 18.997 11.728 1.00 0.00 N ATOM 0 H GLN A 93 -3.202 15.183 10.043 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.347 14.834 7.774 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.346 16.091 9.196 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.896 17.070 8.443 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.175 17.045 10.598 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.865 16.145 11.336 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.880 18.739 12.138 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.546 19.886 11.974 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.061 12.657 9.050 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.600 11.424 9.693 1.00 0.00 C ATOM 1439 C PRO A 94 0.920 11.362 9.805 1.00 0.00 C ATOM 1440 O PRO A 94 1.622 12.273 9.366 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.114 10.324 8.761 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.240 10.984 7.431 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.623 12.410 7.711 1.00 0.00 C ATOM 0 HA PRO A 94 -0.964 11.337 10.717 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.422 9.483 8.722 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.073 9.932 9.101 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.301 10.933 6.880 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.995 10.490 6.820 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.207 13.091 6.969 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.704 12.546 7.698 1.00 0.00 H new ATOM 1451 N ASP A 95 1.421 10.281 10.393 1.00 0.00 N ATOM 1452 CA ASP A 95 2.858 10.099 10.561 1.00 0.00 C ATOM 1453 C ASP A 95 3.458 9.378 9.358 1.00 0.00 C ATOM 1454 O ASP A 95 3.524 8.149 9.330 1.00 0.00 O ATOM 1455 CB ASP A 95 3.149 9.313 11.840 1.00 0.00 C ATOM 1456 CG ASP A 95 2.898 10.131 13.091 1.00 0.00 C ATOM 1457 OD1 ASP A 95 1.829 10.769 13.179 1.00 0.00 O ATOM 1458 OD2 ASP A 95 3.773 10.132 13.984 1.00 0.00 O ATOM 0 H ASP A 95 0.853 9.518 10.761 1.00 0.00 H new ATOM 0 HA ASP A 95 3.317 11.084 10.638 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.526 8.419 11.863 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.187 8.979 11.830 1.00 0.00 H new ATOM 1463 N GLU A 96 3.893 10.150 8.368 1.00 0.00 N ATOM 1464 CA GLU A 96 4.486 9.584 7.162 1.00 0.00 C ATOM 1465 C GLU A 96 5.457 8.459 7.510 1.00 0.00 C ATOM 1466 O GLU A 96 5.536 7.452 6.805 1.00 0.00 O ATOM 1467 CB GLU A 96 5.212 10.670 6.365 1.00 0.00 C ATOM 1468 CG GLU A 96 6.580 11.023 6.924 1.00 0.00 C ATOM 1469 CD GLU A 96 7.000 12.442 6.587 1.00 0.00 C ATOM 1470 OE1 GLU A 96 6.960 12.804 5.393 1.00 0.00 O ATOM 1471 OE2 GLU A 96 7.367 13.188 7.518 1.00 0.00 O ATOM 0 H GLU A 96 3.846 11.169 8.377 1.00 0.00 H new ATOM 0 HA GLU A 96 3.682 9.172 6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.325 10.337 5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.594 11.568 6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.569 10.899 8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.320 10.326 6.531 1.00 0.00 H new ATOM 1478 N LYS A 97 6.194 8.637 8.601 1.00 0.00 N ATOM 1479 CA LYS A 97 7.159 7.639 9.044 1.00 0.00 C ATOM 1480 C LYS A 97 6.457 6.344 9.447 1.00 0.00 C ATOM 1481 O LYS A 97 6.970 5.251 9.211 1.00 0.00 O ATOM 1482 CB LYS A 97 7.975 8.176 10.223 1.00 0.00 C ATOM 1483 CG LYS A 97 8.734 9.452 9.904 1.00 0.00 C ATOM 1484 CD LYS A 97 10.116 9.154 9.348 1.00 0.00 C ATOM 1485 CE LYS A 97 10.094 9.036 7.831 1.00 0.00 C ATOM 1486 NZ LYS A 97 11.464 9.085 7.251 1.00 0.00 N ATOM 0 H LYS A 97 6.141 9.464 9.195 1.00 0.00 H new ATOM 0 HA LYS A 97 7.830 7.425 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.306 8.361 11.063 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.683 7.412 10.542 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.169 10.041 9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.826 10.057 10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.806 9.945 9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.491 8.226 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.612 8.100 7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.493 9.844 7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.406 9.002 6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.915 9.988 7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.030 8.299 7.630 1.00 0.00 H new ATOM 1500 N SER A 98 5.281 6.478 10.051 1.00 0.00 N ATOM 1501 CA SER A 98 4.511 5.320 10.488 1.00 0.00 C ATOM 1502 C SER A 98 3.819 4.650 9.305 1.00 0.00 C ATOM 1503 O SER A 98 3.310 3.535 9.419 1.00 0.00 O ATOM 1504 CB SER A 98 3.472 5.735 11.531 1.00 0.00 C ATOM 1505 OG SER A 98 4.087 6.030 12.774 1.00 0.00 O ATOM 0 H SER A 98 4.841 7.377 10.249 1.00 0.00 H new ATOM 0 HA SER A 98 5.201 4.605 10.937 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.925 6.608 11.176 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.744 4.934 11.663 1.00 0.00 H new ATOM 0 HG SER A 98 3.402 6.294 13.423 1.00 0.00 H new ATOM 1511 N ILE A 99 3.806 5.339 8.169 1.00 0.00 N ATOM 1512 CA ILE A 99 3.178 4.811 6.963 1.00 0.00 C ATOM 1513 C ILE A 99 4.217 4.222 6.015 1.00 0.00 C ATOM 1514 O ILE A 99 3.974 3.202 5.369 1.00 0.00 O ATOM 1515 CB ILE A 99 2.381 5.900 6.221 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.290 6.472 7.128 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.775 5.335 4.944 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.559 7.651 6.525 1.00 0.00 C ATOM 0 H ILE A 99 4.223 6.263 8.058 1.00 0.00 H new ATOM 0 HA ILE A 99 2.494 4.025 7.282 1.00 0.00 H new ATOM 0 HB ILE A 99 3.062 6.707 5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.570 5.686 7.356 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.738 6.778 8.073 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.215 6.116 4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.571 4.972 4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.105 4.512 5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.200 8.004 7.223 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.268 8.454 6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.081 7.345 5.594 1.00 0.00 H new ATOM 1530 N ILE A 100 5.374 4.869 5.939 1.00 0.00 N ATOM 1531 CA ILE A 100 6.453 4.407 5.073 1.00 0.00 C ATOM 1532 C ILE A 100 6.955 3.034 5.505 1.00 0.00 C ATOM 1533 O ILE A 100 7.385 2.229 4.678 1.00 0.00 O ATOM 1534 CB ILE A 100 7.633 5.396 5.066 1.00 0.00 C ATOM 1535 CG1 ILE A 100 7.189 6.751 4.512 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.788 4.837 4.249 1.00 0.00 C ATOM 1537 CD1 ILE A 100 7.953 7.920 5.092 1.00 0.00 C ATOM 0 H ILE A 100 5.589 5.715 6.466 1.00 0.00 H new ATOM 0 HA ILE A 100 6.042 4.340 4.066 1.00 0.00 H new ATOM 0 HB ILE A 100 7.974 5.538 6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.311 6.749 3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.126 6.886 4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.614 5.548 4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.118 3.894 4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.460 4.669 3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.586 8.848 4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.811 7.947 6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.014 7.808 4.868 1.00 0.00 H new ATOM 1549 N THR A 101 6.899 2.772 6.807 1.00 0.00 N ATOM 1550 CA THR A 101 7.348 1.497 7.351 1.00 0.00 C ATOM 1551 C THR A 101 6.371 0.379 7.007 1.00 0.00 C ATOM 1552 O THR A 101 6.779 -0.732 6.664 1.00 0.00 O ATOM 1553 CB THR A 101 7.514 1.565 8.880 1.00 0.00 C ATOM 1554 OG1 THR A 101 8.307 2.704 9.236 1.00 0.00 O ATOM 1555 CG2 THR A 101 8.169 0.299 9.411 1.00 0.00 C ATOM 0 H THR A 101 6.547 3.427 7.505 1.00 0.00 H new ATOM 0 HA THR A 101 8.316 1.283 6.898 1.00 0.00 H new ATOM 0 HB THR A 101 6.524 1.657 9.327 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.752 3.511 9.208 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.276 0.371 10.493 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.549 -0.563 9.164 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.153 0.180 8.957 1.00 0.00 H new ATOM 1563 N TYR A 102 5.081 0.677 7.100 1.00 0.00 N ATOM 1564 CA TYR A 102 4.045 -0.305 6.801 1.00 0.00 C ATOM 1565 C TYR A 102 3.999 -0.609 5.306 1.00 0.00 C ATOM 1566 O TYR A 102 4.211 -1.746 4.885 1.00 0.00 O ATOM 1567 CB TYR A 102 2.681 0.202 7.272 1.00 0.00 C ATOM 1568 CG TYR A 102 1.539 -0.731 6.935 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.988 -0.755 5.659 1.00 0.00 C ATOM 1570 CD2 TYR A 102 1.011 -1.590 7.892 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.055 -1.604 5.347 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.031 -2.444 7.588 1.00 0.00 C ATOM 1573 CZ TYR A 102 -0.561 -2.447 6.315 1.00 0.00 C ATOM 1574 OH TYR A 102 -1.600 -3.296 6.008 1.00 0.00 O ATOM 0 H TYR A 102 4.727 1.591 7.380 1.00 0.00 H new ATOM 0 HA TYR A 102 4.287 -1.225 7.334 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.711 0.351 8.351 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.489 1.176 6.821 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.383 -0.098 4.898 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.423 -1.590 8.890 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.472 -1.608 4.351 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.429 -3.106 8.343 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.767 -3.273 5.043 1.00 0.00 H new ATOM 1584 N VAL A 103 3.719 0.418 4.508 1.00 0.00 N ATOM 1585 CA VAL A 103 3.646 0.263 3.061 1.00 0.00 C ATOM 1586 C VAL A 103 4.860 -0.489 2.527 1.00 0.00 C ATOM 1587 O VAL A 103 4.784 -1.161 1.498 1.00 0.00 O ATOM 1588 CB VAL A 103 3.549 1.627 2.354 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.805 2.449 2.606 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.315 1.440 0.863 1.00 0.00 C ATOM 0 H VAL A 103 3.539 1.365 4.840 1.00 0.00 H new ATOM 0 HA VAL A 103 2.744 -0.312 2.850 1.00 0.00 H new ATOM 0 HB VAL A 103 2.698 2.170 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.719 3.410 2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.923 2.613 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.673 1.913 2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.249 2.415 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.143 0.877 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.385 0.894 0.706 1.00 0.00 H new ATOM 1600 N ALA A 104 5.980 -0.373 3.233 1.00 0.00 N ATOM 1601 CA ALA A 104 7.210 -1.044 2.832 1.00 0.00 C ATOM 1602 C ALA A 104 6.993 -2.545 2.685 1.00 0.00 C ATOM 1603 O ALA A 104 7.526 -3.174 1.769 1.00 0.00 O ATOM 1604 CB ALA A 104 8.315 -0.765 3.838 1.00 0.00 C ATOM 0 H ALA A 104 6.061 0.180 4.086 1.00 0.00 H new ATOM 0 HA ALA A 104 7.510 -0.650 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.228 -1.272 3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.496 0.308 3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.014 -1.131 4.820 1.00 0.00 H new ATOM 1610 N THR A 105 6.207 -3.117 3.592 1.00 0.00 N ATOM 1611 CA THR A 105 5.923 -4.547 3.564 1.00 0.00 C ATOM 1612 C THR A 105 5.258 -4.949 2.252 1.00 0.00 C ATOM 1613 O THR A 105 5.586 -5.984 1.672 1.00 0.00 O ATOM 1614 CB THR A 105 5.011 -4.960 4.736 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.720 -4.359 4.589 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.620 -4.547 6.067 1.00 0.00 C ATOM 0 H THR A 105 5.756 -2.612 4.355 1.00 0.00 H new ATOM 0 HA THR A 105 6.879 -5.062 3.657 1.00 0.00 H new ATOM 0 HB THR A 105 4.909 -6.045 4.722 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.822 -3.395 4.445 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.959 -4.849 6.879 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.589 -5.031 6.189 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.749 -3.465 6.088 1.00 0.00 H new ATOM 1624 N TYR A 106 4.327 -4.125 1.790 1.00 0.00 N ATOM 1625 CA TYR A 106 3.616 -4.396 0.546 1.00 0.00 C ATOM 1626 C TYR A 106 4.593 -4.600 -0.607 1.00 0.00 C ATOM 1627 O TYR A 106 4.354 -5.410 -1.503 1.00 0.00 O ATOM 1628 CB TYR A 106 2.658 -3.249 0.220 1.00 0.00 C ATOM 1629 CG TYR A 106 1.386 -3.269 1.039 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.409 -3.616 2.383 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.163 -2.945 0.466 1.00 0.00 C ATOM 1632 CE1 TYR A 106 0.250 -3.638 3.135 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -1.001 -2.962 1.210 1.00 0.00 C ATOM 1634 CZ TYR A 106 -0.952 -3.310 2.544 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.110 -3.329 3.288 1.00 0.00 O ATOM 0 H TYR A 106 4.046 -3.263 2.257 1.00 0.00 H new ATOM 0 HA TYR A 106 3.042 -5.313 0.679 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.171 -2.301 0.384 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.399 -3.293 -0.838 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.349 -3.873 2.849 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.121 -2.675 -0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.285 -3.910 4.179 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.944 -2.704 0.750 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.867 -3.072 2.721 1.00 0.00 H new ATOM 1645 N TYR A 107 5.696 -3.861 -0.577 1.00 0.00 N ATOM 1646 CA TYR A 107 6.711 -3.959 -1.619 1.00 0.00 C ATOM 1647 C TYR A 107 7.571 -5.204 -1.428 1.00 0.00 C ATOM 1648 O TYR A 107 7.635 -6.070 -2.301 1.00 0.00 O ATOM 1649 CB TYR A 107 7.594 -2.710 -1.619 1.00 0.00 C ATOM 1650 CG TYR A 107 8.941 -2.920 -2.272 1.00 0.00 C ATOM 1651 CD1 TYR A 107 9.042 -3.203 -3.628 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.115 -2.837 -1.531 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.271 -3.397 -4.228 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.348 -3.028 -2.123 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.421 -3.308 -3.471 1.00 0.00 C ATOM 1656 OH TYR A 107 12.647 -3.501 -4.066 1.00 0.00 O ATOM 0 H TYR A 107 5.910 -3.187 0.158 1.00 0.00 H new ATOM 0 HA TYR A 107 6.202 -4.036 -2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.071 -1.906 -2.136 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.745 -2.383 -0.590 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.144 -3.273 -4.224 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.062 -2.619 -0.474 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.331 -3.617 -5.284 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.250 -2.958 -1.533 1.00 0.00 H new ATOM 0 HH TYR A 107 13.355 -3.403 -3.396 1.00 0.00 H new ATOM 1666 N HIS A 108 8.232 -5.287 -0.278 1.00 0.00 N ATOM 1667 CA HIS A 108 9.089 -6.426 0.031 1.00 0.00 C ATOM 1668 C HIS A 108 8.337 -7.739 -0.160 1.00 0.00 C ATOM 1669 O HIS A 108 8.713 -8.566 -0.991 1.00 0.00 O ATOM 1670 CB HIS A 108 9.608 -6.327 1.466 1.00 0.00 C ATOM 1671 CG HIS A 108 10.803 -5.435 1.611 1.00 0.00 C ATOM 1672 ND1 HIS A 108 12.098 -5.883 1.467 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.892 -4.113 1.886 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.933 -4.875 1.649 1.00 0.00 C ATOM 1675 NE2 HIS A 108 12.226 -3.790 1.905 1.00 0.00 N ATOM 0 H HIS A 108 8.191 -4.579 0.455 1.00 0.00 H new ATOM 0 HA HIS A 108 9.935 -6.409 -0.656 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.809 -5.957 2.108 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.865 -7.325 1.820 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.067 -3.438 2.058 1.00 0.00 H new ATOM 0 HE1 HIS A 108 14.010 -4.930 1.597 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.609 -2.862 2.087 1.00 0.00 H new ATOM 1684 N TYR A 109 7.272 -7.924 0.614 1.00 0.00 N ATOM 1685 CA TYR A 109 6.470 -9.138 0.531 1.00 0.00 C ATOM 1686 C TYR A 109 6.335 -9.605 -0.915 1.00 0.00 C ATOM 1687 O TYR A 109 6.847 -10.659 -1.290 1.00 0.00 O ATOM 1688 CB TYR A 109 5.084 -8.899 1.133 1.00 0.00 C ATOM 1689 CG TYR A 109 4.095 -10.004 0.835 1.00 0.00 C ATOM 1690 CD1 TYR A 109 3.323 -9.979 -0.319 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.934 -11.073 1.709 1.00 0.00 C ATOM 1692 CE1 TYR A 109 2.418 -10.986 -0.595 1.00 0.00 C ATOM 1693 CE2 TYR A 109 3.033 -12.084 1.441 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.278 -12.037 0.288 1.00 0.00 C ATOM 1695 OH TYR A 109 1.377 -13.042 0.018 1.00 0.00 O ATOM 0 H TYR A 109 6.945 -7.249 1.305 1.00 0.00 H new ATOM 0 HA TYR A 109 6.977 -9.918 1.099 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.180 -8.791 2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.689 -7.957 0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 109 3.432 -9.158 -1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.524 -11.113 2.613 1.00 0.00 H new ATOM 0 HE1 TYR A 109 1.824 -10.951 -1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.920 -12.907 2.131 1.00 0.00 H new ATOM 0 HH TYR A 109 1.402 -13.706 0.738 1.00 0.00 H new ATOM 1705 N PHE A 110 5.641 -8.811 -1.723 1.00 0.00 N ATOM 1706 CA PHE A 110 5.436 -9.142 -3.129 1.00 0.00 C ATOM 1707 C PHE A 110 6.772 -9.342 -3.840 1.00 0.00 C ATOM 1708 O PHE A 110 6.920 -10.248 -4.661 1.00 0.00 O ATOM 1709 CB PHE A 110 4.637 -8.037 -3.824 1.00 0.00 C ATOM 1710 CG PHE A 110 3.152 -8.255 -3.782 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.568 -9.276 -4.514 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.340 -7.440 -3.011 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.201 -9.478 -4.479 1.00 0.00 C ATOM 1714 CE2 PHE A 110 0.973 -7.637 -2.971 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.403 -8.659 -3.705 1.00 0.00 C ATOM 0 H PHE A 110 5.211 -7.934 -1.429 1.00 0.00 H new ATOM 0 HA PHE A 110 4.873 -10.074 -3.179 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.869 -7.081 -3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.957 -7.967 -4.864 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.188 -9.921 -5.119 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.781 -6.641 -2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.758 -10.276 -5.056 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.351 -6.993 -2.367 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.665 -8.817 -3.674 1.00 0.00 H new ATOM 1725 N SER A 111 7.741 -8.491 -3.518 1.00 0.00 N ATOM 1726 CA SER A 111 9.062 -8.571 -4.128 1.00 0.00 C ATOM 1727 C SER A 111 9.595 -10.000 -4.084 1.00 0.00 C ATOM 1728 O SER A 111 9.990 -10.561 -5.108 1.00 0.00 O ATOM 1729 CB SER A 111 10.035 -7.630 -3.415 1.00 0.00 C ATOM 1730 OG SER A 111 11.183 -7.385 -4.209 1.00 0.00 O ATOM 0 H SER A 111 7.635 -7.738 -2.838 1.00 0.00 H new ATOM 0 HA SER A 111 8.972 -8.267 -5.171 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.536 -6.687 -3.191 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.335 -8.066 -2.462 1.00 0.00 H new ATOM 0 HG SER A 111 11.788 -6.780 -3.731 1.00 0.00 H new ATOM 1736 N LYS A 112 9.604 -10.584 -2.891 1.00 0.00 N ATOM 1737 CA LYS A 112 10.087 -11.949 -2.710 1.00 0.00 C ATOM 1738 C LYS A 112 9.646 -12.840 -3.867 1.00 0.00 C ATOM 1739 O LYS A 112 10.443 -13.600 -4.415 1.00 0.00 O ATOM 1740 CB LYS A 112 9.575 -12.521 -1.387 1.00 0.00 C ATOM 1741 CG LYS A 112 9.969 -11.697 -0.173 1.00 0.00 C ATOM 1742 CD LYS A 112 11.298 -12.156 0.404 1.00 0.00 C ATOM 1743 CE LYS A 112 12.466 -11.414 -0.227 1.00 0.00 C ATOM 1744 NZ LYS A 112 13.731 -11.624 0.529 1.00 0.00 N ATOM 0 H LYS A 112 9.282 -10.134 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 112 11.177 -11.923 -2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.488 -12.593 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.958 -13.535 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.036 -10.645 -0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.194 -11.776 0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.303 -11.995 1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.416 -13.227 0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.597 -11.751 -1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.240 -10.348 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.502 -11.102 0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.615 -11.279 1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.961 -12.638 0.546 1.00 0.00 H new