USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1104 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 79 LYS NZ :NH3+ -119:sc= 0.348 (180deg=-0.309) USER MOD Set 1.2: A 451 ASN : amide:sc= 0.4 K(o=0.75,f=-2.7) USER MOD Set 2.1: A 18 SER OG : rot -19:sc= 1 USER MOD Set 2.2: A 74 ASN :FLIP amide:sc= 0.482 F(o=0.02,f=1.5) USER MOD Set 3.1: A 51 GLN : amide:sc= 0.283 K(o=-0.14,f=-4.8!) USER MOD Set 3.2: A 52 THR OG1 : rot 117:sc= 0.39 USER MOD Set 3.3: A 460 GLN : amide:sc= -0.548! X(o=-0.14!,f=-0.35) USER MOD Set 3.4: A 464 MET CE :methyl -138:sc= -0.266 (180deg=-0.436) USER MOD Set 4.1: A 40 TYR OH : rot -4:sc= 0.801 USER MOD Set 4.2: A 71 THR OG1 : rot -150:sc= 0.971 USER MOD Set 5.1: A 2 THR OG1 : rot -36:sc= 0.0464 USER MOD Set 5.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -129:sc= 0.463 USER MOD Single : A 9 ASN : amide:sc= -0.0336 X(o=-0.034,f=-0.17) USER MOD Single : A 12 GLN : amide:sc= 0.106 K(o=0.11,f=-1.4) USER MOD Single : A 19 GLN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Single : A 20 SER OG : rot 61:sc= 1.23 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.373 F(o=-2.9!,f=-0.37) USER MOD Single : A 35 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.0037) USER MOD Single : A 36 GLN : amide:sc= -1.48 K(o=-1.5,f=-3.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 43 SER OG : rot 86:sc= 1.24 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 48 MET CE :methyl -117:sc= -2.85! (180deg=-4.42!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 169:sc= -0.0928 (180deg=-0.352) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.283 F(o=-1.7,f=-0.28) USER MOD Single : A 76 GLN : amide:sc= -0.427 X(o=-0.43,f=0) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 436 TYR OH : rot 180:sc= 0 USER MOD Single : A 437 LYS NZ :NH3+ 172:sc= -0.0142 (180deg=-0.127) USER MOD Single : A 439 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.6!) USER MOD Single : A 441 THR OG1 : rot 82:sc= 1.17 USER MOD Single : A 442 GLN :FLIP amide:sc= -0.111 F(o=-0.87,f=-0.11) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl 159:sc= 0 (180deg=-0.564) USER MOD Single : A 447 MET CE :methyl -146:sc= -0.832 (180deg=-2.4) USER MOD Single : A 448 SER OG : rot -6:sc= 0.113 USER MOD Single : A 449 LYS NZ :NH3+ 179:sc= 0.642 (180deg=0.642) USER MOD Single : A 452 ASN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 453 THR OG1 : rot 152:sc= -1.39! USER MOD Single : A 454 SER OG : rot -87:sc= 0.877 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.551 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc= -0.0697 F(o=-1.1,f=-0.07) USER MOD Single : A 462 THR OG1 : rot 82:sc= 0.818 USER MOD Single : A 465 ASN : amide:sc= -1.1 X(o=-1.1,f=-0.75) USER MOD Single : A 466 LYS NZ :NH3+ -169:sc= -0.0051 (180deg=-0.114) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -1.646 21.292 18.116 1.00 12.22 N ATOM 21 CA THR A 2 -2.532 20.822 17.030 1.00 1.23 C ATOM 22 C THR A 2 -1.756 19.987 15.981 1.00 11.43 C ATOM 23 O THR A 2 -2.147 18.856 15.656 1.00 74.40 O ATOM 24 CB THR A 2 -3.247 22.036 16.332 1.00 24.45 C ATOM 25 OG1 THR A 2 -2.273 22.961 15.824 1.00 13.22 O ATOM 26 CG2 THR A 2 -4.196 22.785 17.288 1.00 64.01 C ATOM 0 HA THR A 2 -3.287 20.178 17.482 1.00 1.23 H new ATOM 0 HB THR A 2 -3.841 21.625 15.516 1.00 24.45 H new ATOM 0 HG1 THR A 2 -1.508 22.998 16.435 1.00 13.22 H new ATOM 0 HG21 THR A 2 -4.665 23.614 16.759 1.00 64.01 H new ATOM 0 HG22 THR A 2 -4.966 22.101 17.646 1.00 64.01 H new ATOM 0 HG23 THR A 2 -3.629 23.170 18.136 1.00 64.01 H new ATOM 34 N SER A 3 -0.630 20.551 15.503 1.00 45.41 N ATOM 35 CA SER A 3 0.224 19.940 14.470 1.00 55.34 C ATOM 36 C SER A 3 0.814 18.601 14.954 1.00 51.14 C ATOM 37 O SER A 3 0.875 17.611 14.207 1.00 34.30 O ATOM 38 CB SER A 3 1.363 20.922 14.110 1.00 62.45 C ATOM 39 OG SER A 3 0.859 22.223 13.870 1.00 34.21 O ATOM 0 H SER A 3 -0.285 21.454 15.828 1.00 45.41 H new ATOM 0 HA SER A 3 -0.384 19.736 13.589 1.00 55.34 H new ATOM 0 HB2 SER A 3 2.089 20.954 14.922 1.00 62.45 H new ATOM 0 HB3 SER A 3 1.890 20.564 13.225 1.00 62.45 H new ATOM 0 HG SER A 3 1.600 22.825 13.646 1.00 34.21 H new ATOM 45 N THR A 4 1.232 18.590 16.229 1.00 10.30 N ATOM 46 CA THR A 4 1.875 17.431 16.847 1.00 53.51 C ATOM 47 C THR A 4 0.863 16.315 17.179 1.00 13.41 C ATOM 48 O THR A 4 1.177 15.144 16.995 1.00 32.32 O ATOM 49 CB THR A 4 2.664 17.852 18.123 1.00 24.12 C ATOM 50 OG1 THR A 4 3.618 18.872 17.783 1.00 12.41 O ATOM 51 CG2 THR A 4 3.396 16.666 18.781 1.00 51.34 C ATOM 0 H THR A 4 1.131 19.387 16.857 1.00 10.30 H new ATOM 0 HA THR A 4 2.577 17.027 16.118 1.00 53.51 H new ATOM 0 HB THR A 4 1.939 18.230 18.844 1.00 24.12 H new ATOM 0 HG1 THR A 4 4.500 18.624 18.130 1.00 12.41 H new ATOM 0 HG21 THR A 4 3.930 17.013 19.665 1.00 51.34 H new ATOM 0 HG22 THR A 4 2.670 15.906 19.071 1.00 51.34 H new ATOM 0 HG23 THR A 4 4.106 16.239 18.073 1.00 51.34 H new ATOM 59 N VAL A 5 -0.354 16.668 17.647 1.00 10.23 N ATOM 60 CA VAL A 5 -1.348 15.650 18.064 1.00 62.11 C ATOM 61 C VAL A 5 -1.886 14.883 16.837 1.00 61.33 C ATOM 62 O VAL A 5 -2.023 13.657 16.885 1.00 75.22 O ATOM 63 CB VAL A 5 -2.537 16.244 18.924 1.00 31.23 C ATOM 64 CG1 VAL A 5 -3.468 17.167 18.102 1.00 51.14 C ATOM 65 CG2 VAL A 5 -3.340 15.113 19.620 1.00 2.43 C ATOM 0 H VAL A 5 -0.670 17.633 17.745 1.00 10.23 H new ATOM 0 HA VAL A 5 -0.821 14.956 18.719 1.00 62.11 H new ATOM 0 HB VAL A 5 -2.084 16.868 19.694 1.00 31.23 H new ATOM 0 HG11 VAL A 5 -4.264 17.545 18.743 1.00 51.14 H new ATOM 0 HG12 VAL A 5 -2.893 18.004 17.706 1.00 51.14 H new ATOM 0 HG13 VAL A 5 -3.903 16.603 17.277 1.00 51.14 H new ATOM 0 HG21 VAL A 5 -4.151 15.549 20.204 1.00 2.43 H new ATOM 0 HG22 VAL A 5 -3.755 14.444 18.866 1.00 2.43 H new ATOM 0 HG23 VAL A 5 -2.679 14.551 20.280 1.00 2.43 H new ATOM 75 N GLU A 6 -2.138 15.606 15.718 1.00 45.22 N ATOM 76 CA GLU A 6 -2.593 14.978 14.458 1.00 21.41 C ATOM 77 C GLU A 6 -1.466 14.118 13.857 1.00 43.52 C ATOM 78 O GLU A 6 -1.724 13.067 13.285 1.00 22.11 O ATOM 79 CB GLU A 6 -3.076 16.047 13.446 1.00 3.40 C ATOM 80 CG GLU A 6 -1.986 17.039 12.999 1.00 75.53 C ATOM 81 CD GLU A 6 -2.475 18.111 12.024 1.00 52.12 C ATOM 82 OE1 GLU A 6 -3.340 18.923 12.412 1.00 44.44 O ATOM 83 OE2 GLU A 6 -1.980 18.166 10.877 1.00 53.20 O ATOM 0 H GLU A 6 -2.034 16.619 15.665 1.00 45.22 H new ATOM 0 HA GLU A 6 -3.441 14.330 14.682 1.00 21.41 H new ATOM 0 HB2 GLU A 6 -3.474 15.543 12.566 1.00 3.40 H new ATOM 0 HB3 GLU A 6 -3.898 16.606 13.892 1.00 3.40 H new ATOM 0 HG2 GLU A 6 -1.572 17.528 13.881 1.00 75.53 H new ATOM 0 HG3 GLU A 6 -1.174 16.482 12.532 1.00 75.53 H new ATOM 90 N PHE A 7 -0.213 14.595 14.003 1.00 44.21 N ATOM 91 CA PHE A 7 1.000 13.825 13.670 1.00 1.41 C ATOM 92 C PHE A 7 0.998 12.457 14.412 1.00 22.31 C ATOM 93 O PHE A 7 1.096 11.407 13.776 1.00 71.25 O ATOM 94 CB PHE A 7 2.231 14.707 14.032 1.00 63.22 C ATOM 95 CG PHE A 7 3.613 14.064 13.943 1.00 14.10 C ATOM 96 CD1 PHE A 7 4.365 14.116 12.768 1.00 34.30 C ATOM 97 CD2 PHE A 7 4.181 13.438 15.057 1.00 72.13 C ATOM 98 CE1 PHE A 7 5.637 13.570 12.720 1.00 71.25 C ATOM 99 CE2 PHE A 7 5.446 12.891 14.995 1.00 3.23 C ATOM 100 CZ PHE A 7 6.170 12.957 13.827 1.00 62.05 C ATOM 0 H PHE A 7 -0.015 15.531 14.357 1.00 44.21 H new ATOM 0 HA PHE A 7 1.038 13.587 12.607 1.00 1.41 H new ATOM 0 HB2 PHE A 7 2.223 15.579 13.378 1.00 63.22 H new ATOM 0 HB3 PHE A 7 2.095 15.071 15.050 1.00 63.22 H new ATOM 0 HD1 PHE A 7 3.951 14.586 11.888 1.00 34.30 H new ATOM 0 HD2 PHE A 7 3.621 13.382 15.979 1.00 72.13 H new ATOM 0 HE1 PHE A 7 6.212 13.627 11.808 1.00 71.25 H new ATOM 0 HE2 PHE A 7 5.869 12.410 15.865 1.00 3.23 H new ATOM 0 HZ PHE A 7 7.159 12.526 13.781 1.00 62.05 H new ATOM 110 N ILE A 8 0.803 12.501 15.746 1.00 54.11 N ATOM 111 CA ILE A 8 0.825 11.310 16.626 1.00 44.20 C ATOM 112 C ILE A 8 -0.277 10.302 16.245 1.00 71.13 C ATOM 113 O ILE A 8 0.021 9.139 15.952 1.00 34.23 O ATOM 114 CB ILE A 8 0.656 11.735 18.138 1.00 22.20 C ATOM 115 CG1 ILE A 8 1.863 12.603 18.602 1.00 13.12 C ATOM 116 CG2 ILE A 8 0.471 10.510 19.067 1.00 44.31 C ATOM 117 CD1 ILE A 8 1.694 13.241 19.968 1.00 52.45 C ATOM 0 H ILE A 8 0.624 13.370 16.249 1.00 54.11 H new ATOM 0 HA ILE A 8 1.792 10.825 16.492 1.00 44.20 H new ATOM 0 HB ILE A 8 -0.252 12.334 18.209 1.00 22.20 H new ATOM 0 HG12 ILE A 8 2.758 11.981 18.614 1.00 13.12 H new ATOM 0 HG13 ILE A 8 2.032 13.390 17.867 1.00 13.12 H new ATOM 0 HG21 ILE A 8 0.359 10.848 20.097 1.00 44.31 H new ATOM 0 HG22 ILE A 8 -0.419 9.957 18.767 1.00 44.31 H new ATOM 0 HG23 ILE A 8 1.343 9.861 18.991 1.00 44.31 H new ATOM 0 HD11 ILE A 8 2.582 13.826 20.209 1.00 52.45 H new ATOM 0 HD12 ILE A 8 0.821 13.893 19.959 1.00 52.45 H new ATOM 0 HD13 ILE A 8 1.558 12.463 20.719 1.00 52.45 H new ATOM 129 N ASN A 9 -1.544 10.776 16.251 1.00 30.11 N ATOM 130 CA ASN A 9 -2.728 9.930 15.992 1.00 52.51 C ATOM 131 C ASN A 9 -2.675 9.271 14.609 1.00 44.53 C ATOM 132 O ASN A 9 -2.991 8.090 14.482 1.00 73.21 O ATOM 133 CB ASN A 9 -4.058 10.734 16.133 1.00 53.24 C ATOM 134 CG ASN A 9 -4.454 10.991 17.588 1.00 52.20 C ATOM 135 OD1 ASN A 9 -5.060 10.138 18.235 1.00 53.44 O ATOM 136 ND2 ASN A 9 -4.149 12.166 18.108 1.00 4.25 N ATOM 0 H ASN A 9 -1.772 11.753 16.435 1.00 30.11 H new ATOM 0 HA ASN A 9 -2.708 9.147 16.750 1.00 52.51 H new ATOM 0 HB2 ASN A 9 -3.955 11.689 15.617 1.00 53.24 H new ATOM 0 HB3 ASN A 9 -4.860 10.188 15.636 1.00 53.24 H new ATOM 0 HD21 ASN A 9 -4.417 12.384 19.068 1.00 4.25 H new ATOM 0 HD22 ASN A 9 -3.646 12.856 17.550 1.00 4.25 H new ATOM 143 N ARG A 10 -2.263 10.033 13.581 1.00 61.11 N ATOM 144 CA ARG A 10 -2.266 9.543 12.190 1.00 72.24 C ATOM 145 C ARG A 10 -1.108 8.571 11.928 1.00 43.11 C ATOM 146 O ARG A 10 -1.309 7.600 11.221 1.00 12.24 O ATOM 147 CB ARG A 10 -2.264 10.707 11.177 1.00 12.15 C ATOM 148 CG ARG A 10 -3.547 11.568 11.215 1.00 15.11 C ATOM 149 CD ARG A 10 -3.513 12.724 10.207 1.00 63.24 C ATOM 150 NE ARG A 10 -2.382 13.640 10.446 1.00 41.14 N ATOM 151 CZ ARG A 10 -2.121 14.748 9.734 1.00 10.13 C ATOM 152 NH1 ARG A 10 -2.905 15.113 8.729 1.00 44.21 N ATOM 153 NH2 ARG A 10 -1.056 15.479 10.029 1.00 1.01 N ATOM 0 H ARG A 10 -1.924 10.989 13.686 1.00 61.11 H new ATOM 0 HA ARG A 10 -3.194 8.988 12.048 1.00 72.24 H new ATOM 0 HB2 ARG A 10 -1.403 11.346 11.373 1.00 12.15 H new ATOM 0 HB3 ARG A 10 -2.139 10.302 10.173 1.00 12.15 H new ATOM 0 HG2 ARG A 10 -4.410 10.936 11.008 1.00 15.11 H new ATOM 0 HG3 ARG A 10 -3.680 11.970 12.219 1.00 15.11 H new ATOM 0 HD2 ARG A 10 -3.444 12.321 9.197 1.00 63.24 H new ATOM 0 HD3 ARG A 10 -4.448 13.281 10.265 1.00 63.24 H new ATOM 0 HE ARG A 10 -1.748 13.414 11.213 1.00 41.14 H new ATOM 0 HH11 ARG A 10 -3.720 14.549 8.487 1.00 44.21 H new ATOM 0 HH12 ARG A 10 -2.693 15.958 8.198 1.00 44.21 H new ATOM 0 HH21 ARG A 10 -0.441 15.199 10.793 1.00 1.01 H new ATOM 0 HH22 ARG A 10 -0.851 16.322 9.492 1.00 1.01 H new ATOM 167 N TRP A 11 0.094 8.817 12.506 1.00 43.41 N ATOM 168 CA TRP A 11 1.221 7.838 12.439 1.00 44.41 C ATOM 169 C TRP A 11 0.860 6.541 13.170 1.00 52.50 C ATOM 170 O TRP A 11 1.231 5.438 12.733 1.00 24.14 O ATOM 171 CB TRP A 11 2.541 8.411 13.030 1.00 53.40 C ATOM 172 CG TRP A 11 3.293 9.317 12.086 1.00 43.55 C ATOM 173 CD1 TRP A 11 3.559 10.639 12.243 1.00 24.22 C ATOM 174 CD2 TRP A 11 3.880 8.944 10.833 1.00 62.10 C ATOM 175 NE1 TRP A 11 4.264 11.113 11.173 1.00 61.44 N ATOM 176 CE2 TRP A 11 4.480 10.096 10.298 1.00 21.22 C ATOM 177 CE3 TRP A 11 3.963 7.750 10.116 1.00 10.00 C ATOM 178 CZ2 TRP A 11 5.146 10.096 9.086 1.00 31.24 C ATOM 179 CZ3 TRP A 11 4.621 7.748 8.905 1.00 23.55 C ATOM 180 CH2 TRP A 11 5.206 8.917 8.405 1.00 72.50 C ATOM 0 H TRP A 11 0.312 9.672 13.019 1.00 43.41 H new ATOM 0 HA TRP A 11 1.387 7.631 11.382 1.00 44.41 H new ATOM 0 HB2 TRP A 11 2.310 8.964 13.941 1.00 53.40 H new ATOM 0 HB3 TRP A 11 3.189 7.582 13.316 1.00 53.40 H new ATOM 0 HD1 TRP A 11 3.256 11.232 13.093 1.00 24.22 H new ATOM 0 HE1 TRP A 11 4.578 12.076 11.051 1.00 61.44 H new ATOM 0 HE3 TRP A 11 3.520 6.844 10.503 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 5.600 10.994 8.695 1.00 31.24 H new ATOM 0 HZ3 TRP A 11 4.686 6.833 8.335 1.00 23.55 H new ATOM 0 HH2 TRP A 11 5.718 8.884 7.455 1.00 72.50 H new ATOM 191 N GLN A 12 0.128 6.707 14.284 1.00 34.31 N ATOM 192 CA GLN A 12 -0.422 5.597 15.060 1.00 30.23 C ATOM 193 C GLN A 12 -1.348 4.771 14.163 1.00 72.41 C ATOM 194 O GLN A 12 -1.217 3.552 14.100 1.00 71.33 O ATOM 195 CB GLN A 12 -1.180 6.139 16.301 1.00 52.40 C ATOM 196 CG GLN A 12 -1.730 5.064 17.250 1.00 53.44 C ATOM 197 CD GLN A 12 -2.540 5.639 18.415 1.00 51.22 C ATOM 198 OE1 GLN A 12 -3.196 6.676 18.285 1.00 22.41 O ATOM 199 NE2 GLN A 12 -2.500 4.976 19.557 1.00 23.41 N ATOM 0 H GLN A 12 -0.097 7.624 14.669 1.00 34.31 H new ATOM 0 HA GLN A 12 0.385 4.957 15.417 1.00 30.23 H new ATOM 0 HB2 GLN A 12 -0.508 6.788 16.863 1.00 52.40 H new ATOM 0 HB3 GLN A 12 -2.009 6.758 15.959 1.00 52.40 H new ATOM 0 HG2 GLN A 12 -2.359 4.377 16.684 1.00 53.44 H new ATOM 0 HG3 GLN A 12 -0.899 4.481 17.647 1.00 53.44 H new ATOM 0 HE21 GLN A 12 -1.948 4.122 19.632 1.00 23.41 H new ATOM 0 HE22 GLN A 12 -3.021 5.319 20.364 1.00 23.41 H new ATOM 208 N ARG A 13 -2.230 5.473 13.408 1.00 34.24 N ATOM 209 CA ARG A 13 -3.136 4.832 12.441 1.00 1.22 C ATOM 210 C ARG A 13 -2.328 4.064 11.382 1.00 50.54 C ATOM 211 O ARG A 13 -2.557 2.892 11.192 1.00 14.11 O ATOM 212 CB ARG A 13 -4.072 5.863 11.739 1.00 31.32 C ATOM 213 CG ARG A 13 -5.053 6.604 12.671 1.00 14.44 C ATOM 214 CD ARG A 13 -5.951 5.657 13.482 1.00 22.14 C ATOM 215 NE ARG A 13 -6.812 6.380 14.433 1.00 63.34 N ATOM 216 CZ ARG A 13 -6.509 6.648 15.715 1.00 2.45 C ATOM 217 NH1 ARG A 13 -5.348 6.270 16.249 1.00 5.53 N ATOM 218 NH2 ARG A 13 -7.391 7.276 16.471 1.00 14.30 N ATOM 0 H ARG A 13 -2.328 6.487 13.456 1.00 34.24 H new ATOM 0 HA ARG A 13 -3.764 4.139 13.001 1.00 1.22 H new ATOM 0 HB2 ARG A 13 -3.454 6.601 11.228 1.00 31.32 H new ATOM 0 HB3 ARG A 13 -4.647 5.344 10.972 1.00 31.32 H new ATOM 0 HG2 ARG A 13 -4.487 7.233 13.357 1.00 14.44 H new ATOM 0 HG3 ARG A 13 -5.680 7.267 12.075 1.00 14.44 H new ATOM 0 HD2 ARG A 13 -6.573 5.078 12.800 1.00 22.14 H new ATOM 0 HD3 ARG A 13 -5.328 4.947 14.026 1.00 22.14 H new ATOM 0 HE ARG A 13 -7.716 6.705 14.090 1.00 63.34 H new ATOM 0 HH11 ARG A 13 -4.666 5.766 15.682 1.00 5.53 H new ATOM 0 HH12 ARG A 13 -5.141 6.485 17.224 1.00 5.53 H new ATOM 0 HH21 ARG A 13 -8.292 7.553 16.081 1.00 14.30 H new ATOM 0 HH22 ARG A 13 -7.171 7.484 17.445 1.00 14.30 H new ATOM 232 N ILE A 14 -1.335 4.740 10.773 1.00 64.14 N ATOM 233 CA ILE A 14 -0.520 4.199 9.657 1.00 31.40 C ATOM 234 C ILE A 14 0.106 2.828 10.016 1.00 25.42 C ATOM 235 O ILE A 14 0.026 1.887 9.230 1.00 31.51 O ATOM 236 CB ILE A 14 0.594 5.248 9.239 1.00 11.10 C ATOM 237 CG1 ILE A 14 -0.059 6.530 8.639 1.00 63.11 C ATOM 238 CG2 ILE A 14 1.617 4.660 8.243 1.00 3.13 C ATOM 239 CD1 ILE A 14 0.884 7.704 8.429 1.00 65.42 C ATOM 0 H ILE A 14 -1.070 5.688 11.041 1.00 64.14 H new ATOM 0 HA ILE A 14 -1.179 4.032 8.805 1.00 31.40 H new ATOM 0 HB ILE A 14 1.138 5.508 10.147 1.00 11.10 H new ATOM 0 HG12 ILE A 14 -0.511 6.273 7.681 1.00 63.11 H new ATOM 0 HG13 ILE A 14 -0.867 6.848 9.298 1.00 63.11 H new ATOM 0 HG21 ILE A 14 2.357 5.420 7.990 1.00 3.13 H new ATOM 0 HG22 ILE A 14 2.116 3.804 8.697 1.00 3.13 H new ATOM 0 HG23 ILE A 14 1.101 4.341 7.338 1.00 3.13 H new ATOM 0 HD11 ILE A 14 0.331 8.544 8.008 1.00 65.42 H new ATOM 0 HD12 ILE A 14 1.318 7.997 9.385 1.00 65.42 H new ATOM 0 HD13 ILE A 14 1.680 7.413 7.743 1.00 65.42 H new ATOM 251 N ALA A 15 0.658 2.718 11.239 1.00 53.41 N ATOM 252 CA ALA A 15 1.325 1.484 11.714 1.00 61.21 C ATOM 253 C ALA A 15 0.325 0.360 12.063 1.00 21.22 C ATOM 254 O ALA A 15 0.547 -0.818 11.721 1.00 72.11 O ATOM 255 CB ALA A 15 2.184 1.809 12.928 1.00 34.21 C ATOM 0 H ALA A 15 0.656 3.474 11.924 1.00 53.41 H new ATOM 0 HA ALA A 15 1.945 1.113 10.898 1.00 61.21 H new ATOM 0 HB1 ALA A 15 2.676 0.902 13.279 1.00 34.21 H new ATOM 0 HB2 ALA A 15 2.937 2.547 12.653 1.00 34.21 H new ATOM 0 HB3 ALA A 15 1.555 2.211 13.722 1.00 34.21 H new ATOM 261 N LEU A 16 -0.765 0.731 12.766 1.00 32.24 N ATOM 262 CA LEU A 16 -1.813 -0.228 13.178 1.00 14.12 C ATOM 263 C LEU A 16 -2.530 -0.800 11.931 1.00 63.43 C ATOM 264 O LEU A 16 -2.818 -2.002 11.861 1.00 60.24 O ATOM 265 CB LEU A 16 -2.836 0.453 14.143 1.00 3.33 C ATOM 266 CG LEU A 16 -2.253 1.038 15.481 1.00 74.31 C ATOM 267 CD1 LEU A 16 -3.339 1.758 16.312 1.00 4.31 C ATOM 268 CD2 LEU A 16 -1.542 -0.038 16.322 1.00 14.31 C ATOM 0 H LEU A 16 -0.943 1.691 13.061 1.00 32.24 H new ATOM 0 HA LEU A 16 -1.342 -1.051 13.715 1.00 14.12 H new ATOM 0 HB2 LEU A 16 -3.329 1.261 13.603 1.00 3.33 H new ATOM 0 HB3 LEU A 16 -3.605 -0.277 14.396 1.00 3.33 H new ATOM 0 HG LEU A 16 -1.505 1.778 15.196 1.00 74.31 H new ATOM 0 HD11 LEU A 16 -2.897 2.148 17.229 1.00 4.31 H new ATOM 0 HD12 LEU A 16 -3.756 2.581 15.731 1.00 4.31 H new ATOM 0 HD13 LEU A 16 -4.132 1.053 16.563 1.00 4.31 H new ATOM 0 HD21 LEU A 16 -1.155 0.412 17.237 1.00 14.31 H new ATOM 0 HD22 LEU A 16 -2.249 -0.827 16.577 1.00 14.31 H new ATOM 0 HD23 LEU A 16 -0.717 -0.461 15.749 1.00 14.31 H new ATOM 280 N LEU A 17 -2.749 0.082 10.930 1.00 22.01 N ATOM 281 CA LEU A 17 -3.457 -0.253 9.682 1.00 50.42 C ATOM 282 C LEU A 17 -2.557 -1.084 8.767 1.00 1.12 C ATOM 283 O LEU A 17 -3.028 -2.055 8.199 1.00 72.55 O ATOM 284 CB LEU A 17 -3.947 1.020 8.926 1.00 3.33 C ATOM 285 CG LEU A 17 -4.985 1.918 9.677 1.00 45.43 C ATOM 286 CD1 LEU A 17 -5.353 3.156 8.832 1.00 34.53 C ATOM 287 CD2 LEU A 17 -6.234 1.120 10.106 1.00 11.10 C ATOM 0 H LEU A 17 -2.436 1.052 10.969 1.00 22.01 H new ATOM 0 HA LEU A 17 -4.336 -0.835 9.957 1.00 50.42 H new ATOM 0 HB2 LEU A 17 -3.077 1.631 8.686 1.00 3.33 H new ATOM 0 HB3 LEU A 17 -4.388 0.707 7.979 1.00 3.33 H new ATOM 0 HG LEU A 17 -4.514 2.272 10.594 1.00 45.43 H new ATOM 0 HD11 LEU A 17 -6.076 3.765 9.375 1.00 34.53 H new ATOM 0 HD12 LEU A 17 -4.456 3.744 8.638 1.00 34.53 H new ATOM 0 HD13 LEU A 17 -5.787 2.834 7.885 1.00 34.53 H new ATOM 0 HD21 LEU A 17 -6.928 1.782 10.624 1.00 11.10 H new ATOM 0 HD22 LEU A 17 -6.720 0.703 9.224 1.00 11.10 H new ATOM 0 HD23 LEU A 17 -5.937 0.311 10.774 1.00 11.10 H new ATOM 299 N SER A 18 -1.258 -0.704 8.655 1.00 63.02 N ATOM 300 CA SER A 18 -0.282 -1.413 7.793 1.00 43.41 C ATOM 301 C SER A 18 -0.162 -2.879 8.210 1.00 32.45 C ATOM 302 O SER A 18 -0.110 -3.771 7.362 1.00 20.12 O ATOM 303 CB SER A 18 1.110 -0.745 7.851 1.00 14.31 C ATOM 304 OG SER A 18 1.595 -0.659 9.176 1.00 42.23 O ATOM 0 H SER A 18 -0.863 0.093 9.154 1.00 63.02 H new ATOM 0 HA SER A 18 -0.651 -1.357 6.769 1.00 43.41 H new ATOM 0 HB2 SER A 18 1.812 -1.315 7.243 1.00 14.31 H new ATOM 0 HB3 SER A 18 1.052 0.254 7.419 1.00 14.31 H new ATOM 0 HG SER A 18 0.850 -0.760 9.804 1.00 42.23 H new ATOM 310 N GLN A 19 -0.139 -3.096 9.538 1.00 61.24 N ATOM 311 CA GLN A 19 -0.105 -4.437 10.133 1.00 41.13 C ATOM 312 C GLN A 19 -1.403 -5.204 9.813 1.00 35.11 C ATOM 313 O GLN A 19 -1.351 -6.363 9.374 1.00 30.34 O ATOM 314 CB GLN A 19 0.115 -4.325 11.660 1.00 15.44 C ATOM 315 CG GLN A 19 0.310 -5.674 12.379 1.00 50.34 C ATOM 316 CD GLN A 19 0.530 -5.560 13.892 1.00 43.30 C ATOM 317 OE1 GLN A 19 1.254 -6.359 14.481 1.00 72.24 O ATOM 318 NE2 GLN A 19 -0.124 -4.605 14.544 1.00 73.35 N ATOM 0 H GLN A 19 -0.144 -2.343 10.226 1.00 61.24 H new ATOM 0 HA GLN A 19 0.725 -4.998 9.704 1.00 41.13 H new ATOM 0 HB2 GLN A 19 0.989 -3.700 11.843 1.00 15.44 H new ATOM 0 HB3 GLN A 19 -0.740 -3.813 12.101 1.00 15.44 H new ATOM 0 HG2 GLN A 19 -0.565 -6.298 12.198 1.00 50.34 H new ATOM 0 HG3 GLN A 19 1.165 -6.187 11.938 1.00 50.34 H new ATOM 0 HE21 GLN A 19 -0.719 -3.954 14.032 1.00 73.35 H new ATOM 0 HE22 GLN A 19 -0.031 -4.523 15.556 1.00 73.35 H new ATOM 327 N SER A 20 -2.558 -4.518 9.999 1.00 42.01 N ATOM 328 CA SER A 20 -3.896 -5.089 9.731 1.00 63.52 C ATOM 329 C SER A 20 -3.999 -5.631 8.293 1.00 11.24 C ATOM 330 O SER A 20 -4.194 -6.835 8.087 1.00 55.30 O ATOM 331 CB SER A 20 -5.004 -4.028 9.962 1.00 53.02 C ATOM 332 OG SER A 20 -5.011 -3.560 11.300 1.00 73.43 O ATOM 0 H SER A 20 -2.585 -3.556 10.338 1.00 42.01 H new ATOM 0 HA SER A 20 -4.038 -5.916 10.426 1.00 63.52 H new ATOM 0 HB2 SER A 20 -4.851 -3.189 9.284 1.00 53.02 H new ATOM 0 HB3 SER A 20 -5.976 -4.459 9.722 1.00 53.02 H new ATOM 0 HG SER A 20 -4.151 -3.135 11.502 1.00 73.43 H new ATOM 338 N LEU A 21 -3.796 -4.727 7.311 1.00 64.01 N ATOM 339 CA LEU A 21 -3.993 -5.024 5.884 1.00 3.31 C ATOM 340 C LEU A 21 -2.895 -5.939 5.325 1.00 74.02 C ATOM 341 O LEU A 21 -3.125 -6.621 4.326 1.00 54.34 O ATOM 342 CB LEU A 21 -4.169 -3.703 5.068 1.00 34.20 C ATOM 343 CG LEU A 21 -3.043 -2.610 5.184 1.00 61.24 C ATOM 344 CD1 LEU A 21 -1.803 -2.929 4.345 1.00 61.31 C ATOM 345 CD2 LEU A 21 -3.579 -1.205 4.847 1.00 23.10 C ATOM 0 H LEU A 21 -3.490 -3.770 7.490 1.00 64.01 H new ATOM 0 HA LEU A 21 -4.918 -5.590 5.779 1.00 3.31 H new ATOM 0 HB2 LEU A 21 -4.268 -3.971 4.016 1.00 34.20 H new ATOM 0 HB3 LEU A 21 -5.111 -3.246 5.371 1.00 34.20 H new ATOM 0 HG LEU A 21 -2.728 -2.621 6.228 1.00 61.24 H new ATOM 0 HD11 LEU A 21 -1.065 -2.136 4.470 1.00 61.31 H new ATOM 0 HD12 LEU A 21 -1.376 -3.877 4.673 1.00 61.31 H new ATOM 0 HD13 LEU A 21 -2.083 -3.002 3.294 1.00 61.31 H new ATOM 0 HD21 LEU A 21 -2.773 -0.477 4.938 1.00 23.10 H new ATOM 0 HD22 LEU A 21 -3.962 -1.197 3.827 1.00 23.10 H new ATOM 0 HD23 LEU A 21 -4.381 -0.946 5.538 1.00 23.10 H new ATOM 357 N LEU A 22 -1.708 -5.952 5.981 1.00 0.22 N ATOM 358 CA LEU A 22 -0.634 -6.912 5.661 1.00 22.05 C ATOM 359 C LEU A 22 -1.150 -8.338 5.862 1.00 51.23 C ATOM 360 O LEU A 22 -1.090 -9.167 4.951 1.00 44.43 O ATOM 361 CB LEU A 22 0.625 -6.695 6.549 1.00 32.35 C ATOM 362 CG LEU A 22 1.767 -7.758 6.383 1.00 24.24 C ATOM 363 CD1 LEU A 22 2.383 -7.728 4.967 1.00 74.32 C ATOM 364 CD2 LEU A 22 2.839 -7.602 7.474 1.00 40.15 C ATOM 0 H LEU A 22 -1.475 -5.306 6.735 1.00 0.22 H new ATOM 0 HA LEU A 22 -0.345 -6.751 4.622 1.00 22.05 H new ATOM 0 HB2 LEU A 22 1.036 -5.710 6.329 1.00 32.35 H new ATOM 0 HB3 LEU A 22 0.313 -6.684 7.593 1.00 32.35 H new ATOM 0 HG LEU A 22 1.314 -8.741 6.508 1.00 24.24 H new ATOM 0 HD11 LEU A 22 3.169 -8.480 4.896 1.00 74.32 H new ATOM 0 HD12 LEU A 22 1.610 -7.941 4.229 1.00 74.32 H new ATOM 0 HD13 LEU A 22 2.806 -6.742 4.775 1.00 74.32 H new ATOM 0 HD21 LEU A 22 3.616 -8.353 7.331 1.00 40.15 H new ATOM 0 HD22 LEU A 22 3.280 -6.607 7.411 1.00 40.15 H new ATOM 0 HD23 LEU A 22 2.382 -7.735 8.455 1.00 40.15 H new ATOM 376 N GLU A 23 -1.689 -8.585 7.068 1.00 22.30 N ATOM 377 CA GLU A 23 -2.211 -9.898 7.458 1.00 33.22 C ATOM 378 C GLU A 23 -3.435 -10.275 6.616 1.00 74.41 C ATOM 379 O GLU A 23 -3.557 -11.422 6.212 1.00 63.31 O ATOM 380 CB GLU A 23 -2.529 -9.912 8.970 1.00 25.11 C ATOM 381 CG GLU A 23 -1.289 -9.651 9.854 1.00 30.11 C ATOM 382 CD GLU A 23 -1.634 -9.493 11.337 1.00 0.54 C ATOM 383 OE1 GLU A 23 -2.041 -8.386 11.744 1.00 21.43 O ATOM 384 OE2 GLU A 23 -1.504 -10.473 12.103 1.00 40.22 O ATOM 0 H GLU A 23 -1.773 -7.877 7.797 1.00 22.30 H new ATOM 0 HA GLU A 23 -1.448 -10.652 7.266 1.00 33.22 H new ATOM 0 HB2 GLU A 23 -3.285 -9.156 9.183 1.00 25.11 H new ATOM 0 HB3 GLU A 23 -2.960 -10.877 9.235 1.00 25.11 H new ATOM 0 HG2 GLU A 23 -0.586 -10.475 9.736 1.00 30.11 H new ATOM 0 HG3 GLU A 23 -0.785 -8.750 9.506 1.00 30.11 H new ATOM 391 N LEU A 24 -4.292 -9.276 6.312 1.00 74.34 N ATOM 392 CA LEU A 24 -5.479 -9.450 5.442 1.00 30.54 C ATOM 393 C LEU A 24 -5.059 -9.925 4.035 1.00 10.32 C ATOM 394 O LEU A 24 -5.673 -10.832 3.471 1.00 54.35 O ATOM 395 CB LEU A 24 -6.281 -8.119 5.369 1.00 22.23 C ATOM 396 CG LEU A 24 -6.933 -7.658 6.714 1.00 54.45 C ATOM 397 CD1 LEU A 24 -7.478 -6.217 6.618 1.00 41.14 C ATOM 398 CD2 LEU A 24 -8.033 -8.643 7.164 1.00 62.41 C ATOM 0 H LEU A 24 -4.181 -8.325 6.663 1.00 74.34 H new ATOM 0 HA LEU A 24 -6.123 -10.218 5.871 1.00 30.54 H new ATOM 0 HB2 LEU A 24 -5.615 -7.331 5.018 1.00 22.23 H new ATOM 0 HB3 LEU A 24 -7.067 -8.228 4.622 1.00 22.23 H new ATOM 0 HG LEU A 24 -6.151 -7.659 7.474 1.00 54.45 H new ATOM 0 HD11 LEU A 24 -7.923 -5.932 7.571 1.00 41.14 H new ATOM 0 HD12 LEU A 24 -6.662 -5.534 6.380 1.00 41.14 H new ATOM 0 HD13 LEU A 24 -8.234 -6.165 5.835 1.00 41.14 H new ATOM 0 HD21 LEU A 24 -8.469 -8.298 8.101 1.00 62.41 H new ATOM 0 HD22 LEU A 24 -8.809 -8.695 6.400 1.00 62.41 H new ATOM 0 HD23 LEU A 24 -7.599 -9.632 7.308 1.00 62.41 H new ATOM 410 N ALA A 25 -3.972 -9.328 3.512 1.00 11.44 N ATOM 411 CA ALA A 25 -3.376 -9.708 2.218 1.00 72.15 C ATOM 412 C ALA A 25 -2.853 -11.159 2.253 1.00 52.04 C ATOM 413 O ALA A 25 -3.124 -11.949 1.347 1.00 2.21 O ATOM 414 CB ALA A 25 -2.239 -8.737 1.846 1.00 25.22 C ATOM 0 H ALA A 25 -3.480 -8.565 3.977 1.00 11.44 H new ATOM 0 HA ALA A 25 -4.154 -9.647 1.457 1.00 72.15 H new ATOM 0 HB1 ALA A 25 -1.809 -9.030 0.888 1.00 25.22 H new ATOM 0 HB2 ALA A 25 -2.635 -7.724 1.771 1.00 25.22 H new ATOM 0 HB3 ALA A 25 -1.467 -8.768 2.615 1.00 25.22 H new ATOM 420 N GLN A 26 -2.134 -11.497 3.338 1.00 51.42 N ATOM 421 CA GLN A 26 -1.566 -12.849 3.561 1.00 1.45 C ATOM 422 C GLN A 26 -2.678 -13.908 3.739 1.00 33.40 C ATOM 423 O GLN A 26 -2.483 -15.086 3.425 1.00 20.11 O ATOM 424 CB GLN A 26 -0.640 -12.818 4.806 1.00 12.32 C ATOM 425 CG GLN A 26 0.561 -11.856 4.687 1.00 51.22 C ATOM 426 CD GLN A 26 1.348 -11.642 5.990 1.00 31.14 C ATOM 427 OE1 GLN A 26 0.680 -11.687 7.139 1.00 21.22 O flip ATOM 428 NE2 GLN A 26 2.557 -11.414 5.964 1.00 65.15 N flip ATOM 0 H GLN A 26 -1.927 -10.841 4.091 1.00 51.42 H new ATOM 0 HA GLN A 26 -0.987 -13.131 2.682 1.00 1.45 H new ATOM 0 HB2 GLN A 26 -1.232 -12.534 5.676 1.00 12.32 H new ATOM 0 HB3 GLN A 26 -0.266 -13.825 4.990 1.00 12.32 H new ATOM 0 HG2 GLN A 26 1.242 -12.240 3.927 1.00 51.22 H new ATOM 0 HG3 GLN A 26 0.201 -10.890 4.334 1.00 51.22 H new ATOM 0 HE21 GLN A 26 3.051 -11.384 5.072 1.00 65.15 H new ATOM 0 HE22 GLN A 26 3.065 -11.255 6.834 1.00 65.15 H new ATOM 437 N ARG A 27 -3.838 -13.461 4.247 1.00 31.02 N ATOM 438 CA ARG A 27 -5.032 -14.308 4.457 1.00 15.14 C ATOM 439 C ARG A 27 -5.807 -14.511 3.137 1.00 3.11 C ATOM 440 O ARG A 27 -6.549 -15.491 2.993 1.00 71.23 O ATOM 441 CB ARG A 27 -5.959 -13.647 5.513 1.00 52.42 C ATOM 442 CG ARG A 27 -5.454 -13.707 6.975 1.00 70.43 C ATOM 443 CD ARG A 27 -5.637 -15.092 7.616 1.00 53.33 C ATOM 444 NE ARG A 27 -7.066 -15.481 7.667 1.00 3.10 N ATOM 445 CZ ARG A 27 -7.648 -16.221 8.628 1.00 71.52 C ATOM 446 NH1 ARG A 27 -6.945 -16.693 9.660 1.00 52.40 N ATOM 447 NH2 ARG A 27 -8.949 -16.476 8.551 1.00 52.41 N ATOM 0 H ARG A 27 -3.979 -12.491 4.528 1.00 31.02 H new ATOM 0 HA ARG A 27 -4.704 -15.284 4.814 1.00 15.14 H new ATOM 0 HB2 ARG A 27 -6.104 -12.602 5.240 1.00 52.42 H new ATOM 0 HB3 ARG A 27 -6.936 -14.128 5.465 1.00 52.42 H new ATOM 0 HG2 ARG A 27 -4.398 -13.437 7.000 1.00 70.43 H new ATOM 0 HG3 ARG A 27 -5.987 -12.964 7.569 1.00 70.43 H new ATOM 0 HD2 ARG A 27 -5.077 -15.834 7.048 1.00 53.33 H new ATOM 0 HD3 ARG A 27 -5.224 -15.085 8.625 1.00 53.33 H new ATOM 0 HE ARG A 27 -7.662 -15.159 6.905 1.00 3.10 H new ATOM 0 HH11 ARG A 27 -5.947 -16.494 9.731 1.00 52.40 H new ATOM 0 HH12 ARG A 27 -7.406 -17.252 10.378 1.00 52.40 H new ATOM 0 HH21 ARG A 27 -9.495 -16.112 7.770 1.00 52.41 H new ATOM 0 HH22 ARG A 27 -9.403 -17.036 9.273 1.00 52.41 H new ATOM 461 N GLY A 28 -5.632 -13.565 2.192 1.00 52.33 N ATOM 462 CA GLY A 28 -6.318 -13.588 0.895 1.00 54.04 C ATOM 463 C GLY A 28 -7.491 -12.622 0.826 1.00 32.35 C ATOM 464 O GLY A 28 -8.178 -12.558 -0.199 1.00 24.20 O ATOM 0 H GLY A 28 -5.010 -12.766 2.312 1.00 52.33 H new ATOM 0 HA2 GLY A 28 -5.605 -13.342 0.108 1.00 54.04 H new ATOM 0 HA3 GLY A 28 -6.675 -14.599 0.697 1.00 54.04 H new ATOM 468 N GLU A 29 -7.741 -11.890 1.930 1.00 35.20 N ATOM 469 CA GLU A 29 -8.731 -10.799 1.976 1.00 33.33 C ATOM 470 C GLU A 29 -8.161 -9.548 1.292 1.00 34.52 C ATOM 471 O GLU A 29 -7.672 -8.618 1.955 1.00 12.52 O ATOM 472 CB GLU A 29 -9.174 -10.488 3.444 1.00 54.53 C ATOM 473 CG GLU A 29 -10.226 -11.454 4.031 1.00 43.14 C ATOM 474 CD GLU A 29 -9.735 -12.901 4.166 1.00 23.04 C ATOM 475 OE1 GLU A 29 -9.978 -13.727 3.254 1.00 73.31 O ATOM 476 OE2 GLU A 29 -9.113 -13.227 5.192 1.00 74.11 O ATOM 0 H GLU A 29 -7.260 -12.040 2.817 1.00 35.20 H new ATOM 0 HA GLU A 29 -9.621 -11.119 1.435 1.00 33.33 H new ATOM 0 HB2 GLU A 29 -8.292 -10.504 4.084 1.00 54.53 H new ATOM 0 HB3 GLU A 29 -9.575 -9.475 3.479 1.00 54.53 H new ATOM 0 HG2 GLU A 29 -10.530 -11.091 5.013 1.00 43.14 H new ATOM 0 HG3 GLU A 29 -11.112 -11.439 3.397 1.00 43.14 H new ATOM 483 N TRP A 30 -8.205 -9.561 -0.050 1.00 42.21 N ATOM 484 CA TRP A 30 -7.733 -8.444 -0.878 1.00 35.31 C ATOM 485 C TRP A 30 -8.697 -7.259 -0.772 1.00 54.43 C ATOM 486 O TRP A 30 -8.278 -6.116 -0.844 1.00 43.12 O ATOM 487 CB TRP A 30 -7.570 -8.867 -2.361 1.00 11.33 C ATOM 488 CG TRP A 30 -6.777 -10.145 -2.556 1.00 52.33 C ATOM 489 CD1 TRP A 30 -7.227 -11.320 -3.097 1.00 14.24 C ATOM 490 CD2 TRP A 30 -5.406 -10.384 -2.196 1.00 1.31 C ATOM 491 NE1 TRP A 30 -6.237 -12.261 -3.083 1.00 61.40 N ATOM 492 CE2 TRP A 30 -5.114 -11.716 -2.538 1.00 70.14 C ATOM 493 CE3 TRP A 30 -4.397 -9.606 -1.629 1.00 1.43 C ATOM 494 CZ2 TRP A 30 -3.869 -12.282 -2.323 1.00 15.11 C ATOM 495 CZ3 TRP A 30 -3.161 -10.174 -1.413 1.00 43.35 C ATOM 496 CH2 TRP A 30 -2.906 -11.501 -1.762 1.00 72.52 C ATOM 0 H TRP A 30 -8.569 -10.347 -0.589 1.00 42.21 H new ATOM 0 HA TRP A 30 -6.754 -8.144 -0.504 1.00 35.31 H new ATOM 0 HB2 TRP A 30 -8.559 -8.994 -2.802 1.00 11.33 H new ATOM 0 HB3 TRP A 30 -7.079 -8.061 -2.906 1.00 11.33 H new ATOM 0 HD1 TRP A 30 -8.224 -11.480 -3.481 1.00 14.24 H new ATOM 0 HE1 TRP A 30 -6.325 -13.218 -3.426 1.00 61.40 H new ATOM 0 HE3 TRP A 30 -4.582 -8.575 -1.364 1.00 1.43 H new ATOM 0 HZ2 TRP A 30 -3.669 -13.309 -2.591 1.00 15.11 H new ATOM 0 HZ3 TRP A 30 -2.376 -9.582 -0.966 1.00 43.35 H new ATOM 0 HH2 TRP A 30 -1.925 -11.916 -1.583 1.00 72.52 H new ATOM 507 N ASP A 31 -9.988 -7.556 -0.562 1.00 42.02 N ATOM 508 CA ASP A 31 -11.045 -6.534 -0.469 1.00 10.41 C ATOM 509 C ASP A 31 -10.862 -5.699 0.813 1.00 2.12 C ATOM 510 O ASP A 31 -11.018 -4.483 0.792 1.00 21.43 O ATOM 511 CB ASP A 31 -12.455 -7.187 -0.479 1.00 3.41 C ATOM 512 CG ASP A 31 -12.647 -8.223 -1.599 1.00 71.23 C ATOM 513 OD1 ASP A 31 -12.149 -9.357 -1.448 1.00 65.12 O ATOM 514 OD2 ASP A 31 -13.290 -7.919 -2.626 1.00 43.42 O ATOM 0 H ASP A 31 -10.330 -8.511 -0.452 1.00 42.02 H new ATOM 0 HA ASP A 31 -10.964 -5.882 -1.338 1.00 10.41 H new ATOM 0 HB2 ASP A 31 -12.630 -7.668 0.483 1.00 3.41 H new ATOM 0 HB3 ASP A 31 -13.207 -6.405 -0.586 1.00 3.41 H new ATOM 519 N LEU A 32 -10.516 -6.381 1.927 1.00 31.15 N ATOM 520 CA LEU A 32 -10.247 -5.726 3.227 1.00 1.40 C ATOM 521 C LEU A 32 -8.880 -5.013 3.223 1.00 44.21 C ATOM 522 O LEU A 32 -8.710 -3.992 3.900 1.00 35.14 O ATOM 523 CB LEU A 32 -10.344 -6.746 4.389 1.00 34.51 C ATOM 524 CG LEU A 32 -11.763 -7.332 4.675 1.00 23.43 C ATOM 525 CD1 LEU A 32 -11.730 -8.273 5.900 1.00 51.03 C ATOM 526 CD2 LEU A 32 -12.814 -6.207 4.852 1.00 34.12 C ATOM 0 H LEU A 32 -10.416 -7.396 1.951 1.00 31.15 H new ATOM 0 HA LEU A 32 -11.012 -4.965 3.383 1.00 1.40 H new ATOM 0 HB2 LEU A 32 -9.668 -7.574 4.175 1.00 34.51 H new ATOM 0 HB3 LEU A 32 -9.982 -6.265 5.298 1.00 34.51 H new ATOM 0 HG LEU A 32 -12.064 -7.921 3.809 1.00 23.43 H new ATOM 0 HD11 LEU A 32 -12.729 -8.670 6.081 1.00 51.03 H new ATOM 0 HD12 LEU A 32 -11.042 -9.096 5.708 1.00 51.03 H new ATOM 0 HD13 LEU A 32 -11.396 -7.718 6.776 1.00 51.03 H new ATOM 0 HD21 LEU A 32 -13.790 -6.649 5.050 1.00 34.12 H new ATOM 0 HD22 LEU A 32 -12.528 -5.570 5.689 1.00 34.12 H new ATOM 0 HD23 LEU A 32 -12.864 -5.609 3.942 1.00 34.12 H new ATOM 538 N LEU A 33 -7.917 -5.573 2.461 1.00 2.41 N ATOM 539 CA LEU A 33 -6.633 -4.908 2.144 1.00 73.33 C ATOM 540 C LEU A 33 -6.891 -3.536 1.475 1.00 41.24 C ATOM 541 O LEU A 33 -6.301 -2.523 1.857 1.00 34.42 O ATOM 542 CB LEU A 33 -5.795 -5.820 1.199 1.00 72.32 C ATOM 543 CG LEU A 33 -4.501 -5.198 0.567 1.00 22.41 C ATOM 544 CD1 LEU A 33 -3.386 -5.007 1.610 1.00 74.31 C ATOM 545 CD2 LEU A 33 -4.015 -6.030 -0.632 1.00 23.14 C ATOM 0 H LEU A 33 -8.007 -6.501 2.047 1.00 2.41 H new ATOM 0 HA LEU A 33 -6.078 -4.742 3.067 1.00 73.33 H new ATOM 0 HB2 LEU A 33 -5.504 -6.710 1.758 1.00 72.32 H new ATOM 0 HB3 LEU A 33 -6.442 -6.151 0.387 1.00 72.32 H new ATOM 0 HG LEU A 33 -4.764 -4.206 0.200 1.00 22.41 H new ATOM 0 HD11 LEU A 33 -2.509 -4.574 1.130 1.00 74.31 H new ATOM 0 HD12 LEU A 33 -3.735 -4.339 2.398 1.00 74.31 H new ATOM 0 HD13 LEU A 33 -3.123 -5.972 2.043 1.00 74.31 H new ATOM 0 HD21 LEU A 33 -3.117 -5.575 -1.050 1.00 23.14 H new ATOM 0 HD22 LEU A 33 -3.789 -7.044 -0.303 1.00 23.14 H new ATOM 0 HD23 LEU A 33 -4.794 -6.061 -1.393 1.00 23.14 H new ATOM 557 N LEU A 34 -7.825 -3.538 0.503 1.00 23.51 N ATOM 558 CA LEU A 34 -8.203 -2.353 -0.295 1.00 71.33 C ATOM 559 C LEU A 34 -9.182 -1.432 0.457 1.00 24.50 C ATOM 560 O LEU A 34 -9.308 -0.248 0.129 1.00 33.23 O ATOM 561 CB LEU A 34 -8.812 -2.816 -1.634 1.00 23.42 C ATOM 562 CG LEU A 34 -7.846 -3.618 -2.560 1.00 20.01 C ATOM 563 CD1 LEU A 34 -8.612 -4.258 -3.725 1.00 11.31 C ATOM 564 CD2 LEU A 34 -6.677 -2.737 -3.054 1.00 32.32 C ATOM 0 H LEU A 34 -8.347 -4.376 0.246 1.00 23.51 H new ATOM 0 HA LEU A 34 -7.303 -1.767 -0.481 1.00 71.33 H new ATOM 0 HB2 LEU A 34 -9.685 -3.434 -1.424 1.00 23.42 H new ATOM 0 HB3 LEU A 34 -9.166 -1.939 -2.177 1.00 23.42 H new ATOM 0 HG LEU A 34 -7.408 -4.425 -1.973 1.00 20.01 H new ATOM 0 HD11 LEU A 34 -7.917 -4.812 -4.357 1.00 11.31 H new ATOM 0 HD12 LEU A 34 -9.368 -4.939 -3.333 1.00 11.31 H new ATOM 0 HD13 LEU A 34 -9.096 -3.479 -4.314 1.00 11.31 H new ATOM 0 HD21 LEU A 34 -6.023 -3.327 -3.697 1.00 32.32 H new ATOM 0 HD22 LEU A 34 -7.072 -1.891 -3.617 1.00 32.32 H new ATOM 0 HD23 LEU A 34 -6.110 -2.371 -2.198 1.00 32.32 H new ATOM 576 N GLN A 35 -9.882 -1.984 1.458 1.00 13.31 N ATOM 577 CA GLN A 35 -10.776 -1.207 2.336 1.00 21.41 C ATOM 578 C GLN A 35 -9.930 -0.342 3.283 1.00 32.45 C ATOM 579 O GLN A 35 -10.281 0.800 3.594 1.00 71.33 O ATOM 580 CB GLN A 35 -11.708 -2.164 3.137 1.00 13.22 C ATOM 581 CG GLN A 35 -12.729 -1.467 4.068 1.00 51.04 C ATOM 582 CD GLN A 35 -13.745 -0.555 3.357 1.00 22.11 C ATOM 583 OE1 GLN A 35 -14.182 0.450 3.919 1.00 74.20 O ATOM 584 NE2 GLN A 35 -14.161 -0.908 2.139 1.00 54.31 N ATOM 0 H GLN A 35 -9.847 -2.978 1.684 1.00 13.31 H new ATOM 0 HA GLN A 35 -11.406 -0.554 1.732 1.00 21.41 H new ATOM 0 HB2 GLN A 35 -12.254 -2.789 2.430 1.00 13.22 H new ATOM 0 HB3 GLN A 35 -11.088 -2.829 3.738 1.00 13.22 H new ATOM 0 HG2 GLN A 35 -13.275 -2.232 4.620 1.00 51.04 H new ATOM 0 HG3 GLN A 35 -12.183 -0.874 4.801 1.00 51.04 H new ATOM 0 HE21 GLN A 35 -13.784 -1.745 1.694 1.00 54.31 H new ATOM 0 HE22 GLN A 35 -14.856 -0.341 1.653 1.00 54.31 H new ATOM 593 N GLN A 36 -8.800 -0.915 3.729 1.00 63.14 N ATOM 594 CA GLN A 36 -7.818 -0.209 4.557 1.00 3.22 C ATOM 595 C GLN A 36 -6.768 0.530 3.708 1.00 14.55 C ATOM 596 O GLN A 36 -6.044 1.345 4.255 1.00 23.25 O ATOM 597 CB GLN A 36 -7.139 -1.183 5.559 1.00 12.01 C ATOM 598 CG GLN A 36 -8.070 -1.728 6.663 1.00 11.22 C ATOM 599 CD GLN A 36 -8.750 -0.630 7.502 1.00 42.22 C ATOM 600 OE1 GLN A 36 -8.229 0.475 7.667 1.00 34.32 O ATOM 601 NE2 GLN A 36 -9.913 -0.931 8.051 1.00 24.11 N ATOM 0 H GLN A 36 -8.545 -1.881 3.524 1.00 63.14 H new ATOM 0 HA GLN A 36 -8.359 0.548 5.125 1.00 3.22 H new ATOM 0 HB2 GLN A 36 -6.726 -2.025 5.003 1.00 12.01 H new ATOM 0 HB3 GLN A 36 -6.300 -0.671 6.031 1.00 12.01 H new ATOM 0 HG2 GLN A 36 -8.839 -2.349 6.203 1.00 11.22 H new ATOM 0 HG3 GLN A 36 -7.493 -2.373 7.326 1.00 11.22 H new ATOM 0 HE21 GLN A 36 -10.325 -1.852 7.900 1.00 24.11 H new ATOM 0 HE22 GLN A 36 -10.399 -0.243 8.625 1.00 24.11 H new ATOM 610 N GLU A 37 -6.684 0.223 2.387 1.00 73.15 N ATOM 611 CA GLU A 37 -5.809 0.944 1.414 1.00 44.31 C ATOM 612 C GLU A 37 -6.035 2.455 1.497 1.00 61.31 C ATOM 613 O GLU A 37 -5.099 3.224 1.743 1.00 12.31 O ATOM 614 CB GLU A 37 -6.115 0.479 -0.041 1.00 70.20 C ATOM 615 CG GLU A 37 -5.473 1.327 -1.175 1.00 32.04 C ATOM 616 CD GLU A 37 -6.013 1.019 -2.583 1.00 62.04 C ATOM 617 OE1 GLU A 37 -7.209 0.678 -2.704 1.00 25.45 O ATOM 618 OE2 GLU A 37 -5.283 1.207 -3.581 1.00 44.44 O ATOM 0 H GLU A 37 -7.221 -0.533 1.962 1.00 73.15 H new ATOM 0 HA GLU A 37 -4.774 0.714 1.668 1.00 44.31 H new ATOM 0 HB2 GLU A 37 -5.779 -0.552 -0.150 1.00 70.20 H new ATOM 0 HB3 GLU A 37 -7.196 0.479 -0.182 1.00 70.20 H new ATOM 0 HG2 GLU A 37 -5.636 2.383 -0.959 1.00 32.04 H new ATOM 0 HG3 GLU A 37 -4.395 1.163 -1.169 1.00 32.04 H new ATOM 625 N VAL A 38 -7.307 2.845 1.292 1.00 25.20 N ATOM 626 CA VAL A 38 -7.729 4.249 1.281 1.00 44.22 C ATOM 627 C VAL A 38 -7.375 4.945 2.608 1.00 51.34 C ATOM 628 O VAL A 38 -6.793 6.021 2.598 1.00 72.22 O ATOM 629 CB VAL A 38 -9.263 4.390 0.940 1.00 53.43 C ATOM 630 CG1 VAL A 38 -9.540 3.960 -0.521 1.00 61.21 C ATOM 631 CG2 VAL A 38 -10.155 3.592 1.922 1.00 64.44 C ATOM 0 H VAL A 38 -8.070 2.188 1.129 1.00 25.20 H new ATOM 0 HA VAL A 38 -7.177 4.754 0.488 1.00 44.22 H new ATOM 0 HB VAL A 38 -9.522 5.443 1.051 1.00 53.43 H new ATOM 0 HG11 VAL A 38 -10.603 4.065 -0.736 1.00 61.21 H new ATOM 0 HG12 VAL A 38 -8.969 4.592 -1.201 1.00 61.21 H new ATOM 0 HG13 VAL A 38 -9.243 2.920 -0.657 1.00 61.21 H new ATOM 0 HG21 VAL A 38 -11.202 3.719 1.648 1.00 64.44 H new ATOM 0 HG22 VAL A 38 -9.893 2.535 1.874 1.00 64.44 H new ATOM 0 HG23 VAL A 38 -9.998 3.959 2.936 1.00 64.44 H new ATOM 641 N SER A 39 -7.647 4.254 3.732 1.00 72.30 N ATOM 642 CA SER A 39 -7.368 4.750 5.091 1.00 21.03 C ATOM 643 C SER A 39 -5.854 4.991 5.300 1.00 2.23 C ATOM 644 O SER A 39 -5.423 6.065 5.740 1.00 22.21 O ATOM 645 CB SER A 39 -7.889 3.709 6.108 1.00 33.11 C ATOM 646 OG SER A 39 -9.228 3.348 5.819 1.00 71.04 O ATOM 0 H SER A 39 -8.071 3.326 3.720 1.00 72.30 H new ATOM 0 HA SER A 39 -7.873 5.705 5.236 1.00 21.03 H new ATOM 0 HB2 SER A 39 -7.256 2.822 6.084 1.00 33.11 H new ATOM 0 HB3 SER A 39 -7.828 4.117 7.117 1.00 33.11 H new ATOM 0 HG SER A 39 -9.537 2.687 6.473 1.00 71.04 H new ATOM 652 N TYR A 40 -5.084 3.976 4.903 1.00 11.11 N ATOM 653 CA TYR A 40 -3.640 3.861 5.135 1.00 55.00 C ATOM 654 C TYR A 40 -2.858 4.916 4.342 1.00 53.15 C ATOM 655 O TYR A 40 -2.175 5.771 4.933 1.00 21.13 O ATOM 656 CB TYR A 40 -3.219 2.426 4.724 1.00 13.21 C ATOM 657 CG TYR A 40 -1.725 2.117 4.741 1.00 64.51 C ATOM 658 CD1 TYR A 40 -0.957 2.336 5.879 1.00 73.11 C ATOM 659 CD2 TYR A 40 -1.096 1.555 3.622 1.00 14.01 C ATOM 660 CE1 TYR A 40 0.377 2.015 5.896 1.00 30.11 C ATOM 661 CE2 TYR A 40 0.242 1.239 3.641 1.00 21.43 C ATOM 662 CZ TYR A 40 0.971 1.465 4.782 1.00 53.31 C ATOM 663 OH TYR A 40 2.301 1.132 4.815 1.00 32.12 O ATOM 0 H TYR A 40 -5.463 3.179 4.391 1.00 11.11 H new ATOM 0 HA TYR A 40 -3.413 4.039 6.186 1.00 55.00 H new ATOM 0 HB2 TYR A 40 -3.719 1.722 5.388 1.00 13.21 H new ATOM 0 HB3 TYR A 40 -3.594 2.237 3.718 1.00 13.21 H new ATOM 0 HD1 TYR A 40 -1.415 2.763 6.759 1.00 73.11 H new ATOM 0 HD2 TYR A 40 -1.673 1.367 2.728 1.00 14.01 H new ATOM 0 HE1 TYR A 40 0.963 2.194 6.786 1.00 30.11 H new ATOM 0 HE2 TYR A 40 0.715 0.817 2.767 1.00 21.43 H new ATOM 0 HH TYR A 40 2.685 1.405 5.674 1.00 32.12 H new ATOM 673 N LEU A 41 -2.981 4.843 3.002 1.00 74.44 N ATOM 674 CA LEU A 41 -2.271 5.726 2.071 1.00 5.24 C ATOM 675 C LEU A 41 -2.648 7.198 2.311 1.00 50.11 C ATOM 676 O LEU A 41 -1.762 8.044 2.335 1.00 60.51 O ATOM 677 CB LEU A 41 -2.551 5.306 0.601 1.00 13.22 C ATOM 678 CG LEU A 41 -2.024 3.888 0.183 1.00 64.42 C ATOM 679 CD1 LEU A 41 -2.440 3.539 -1.265 1.00 44.02 C ATOM 680 CD2 LEU A 41 -0.487 3.787 0.364 1.00 54.23 C ATOM 0 H LEU A 41 -3.582 4.162 2.537 1.00 74.44 H new ATOM 0 HA LEU A 41 -1.201 5.627 2.253 1.00 5.24 H new ATOM 0 HB2 LEU A 41 -3.628 5.337 0.433 1.00 13.22 H new ATOM 0 HB3 LEU A 41 -2.104 6.048 -0.060 1.00 13.22 H new ATOM 0 HG LEU A 41 -2.486 3.155 0.845 1.00 64.42 H new ATOM 0 HD11 LEU A 41 -2.060 2.551 -1.525 1.00 44.02 H new ATOM 0 HD12 LEU A 41 -3.527 3.541 -1.342 1.00 44.02 H new ATOM 0 HD13 LEU A 41 -2.026 4.279 -1.951 1.00 44.02 H new ATOM 0 HD21 LEU A 41 -0.150 2.794 0.067 1.00 54.23 H new ATOM 0 HD22 LEU A 41 0.003 4.537 -0.257 1.00 54.23 H new ATOM 0 HD23 LEU A 41 -0.232 3.959 1.410 1.00 54.23 H new ATOM 692 N GLN A 42 -3.957 7.473 2.538 1.00 2.25 N ATOM 693 CA GLN A 42 -4.455 8.840 2.840 1.00 53.52 C ATOM 694 C GLN A 42 -3.738 9.444 4.058 1.00 44.23 C ATOM 695 O GLN A 42 -3.293 10.597 4.009 1.00 24.14 O ATOM 696 CB GLN A 42 -5.969 8.793 3.120 1.00 14.02 C ATOM 697 CG GLN A 42 -6.646 10.140 3.446 1.00 52.21 C ATOM 698 CD GLN A 42 -8.075 9.990 3.991 1.00 34.32 C ATOM 699 OE1 GLN A 42 -8.528 10.799 4.796 1.00 41.20 O ATOM 700 NE2 GLN A 42 -8.797 8.957 3.573 1.00 2.24 N ATOM 0 H GLN A 42 -4.690 6.764 2.518 1.00 2.25 H new ATOM 0 HA GLN A 42 -4.251 9.467 1.972 1.00 53.52 H new ATOM 0 HB2 GLN A 42 -6.465 8.363 2.250 1.00 14.02 H new ATOM 0 HB3 GLN A 42 -6.142 8.113 3.954 1.00 14.02 H new ATOM 0 HG2 GLN A 42 -6.040 10.675 4.178 1.00 52.21 H new ATOM 0 HG3 GLN A 42 -6.671 10.753 2.545 1.00 52.21 H new ATOM 0 HE21 GLN A 42 -8.402 8.296 2.904 1.00 2.24 H new ATOM 0 HE22 GLN A 42 -9.747 8.824 3.921 1.00 2.24 H new ATOM 709 N SER A 43 -3.636 8.642 5.142 1.00 14.41 N ATOM 710 CA SER A 43 -2.957 9.050 6.386 1.00 24.51 C ATOM 711 C SER A 43 -1.473 9.416 6.138 1.00 54.31 C ATOM 712 O SER A 43 -0.977 10.421 6.671 1.00 44.42 O ATOM 713 CB SER A 43 -3.079 7.933 7.438 1.00 72.44 C ATOM 714 OG SER A 43 -4.439 7.653 7.728 1.00 24.12 O ATOM 0 H SER A 43 -4.021 7.698 5.176 1.00 14.41 H new ATOM 0 HA SER A 43 -3.448 9.948 6.761 1.00 24.51 H new ATOM 0 HB2 SER A 43 -2.588 7.031 7.074 1.00 72.44 H new ATOM 0 HB3 SER A 43 -2.563 8.230 8.351 1.00 72.44 H new ATOM 0 HG SER A 43 -4.786 7.008 7.077 1.00 24.12 H new ATOM 720 N ILE A 44 -0.788 8.601 5.307 1.00 3.21 N ATOM 721 CA ILE A 44 0.620 8.845 4.915 1.00 31.02 C ATOM 722 C ILE A 44 0.741 10.166 4.114 1.00 62.13 C ATOM 723 O ILE A 44 1.606 11.012 4.390 1.00 34.24 O ATOM 724 CB ILE A 44 1.197 7.659 4.047 1.00 13.54 C ATOM 725 CG1 ILE A 44 1.065 6.294 4.790 1.00 72.31 C ATOM 726 CG2 ILE A 44 2.669 7.928 3.664 1.00 63.41 C ATOM 727 CD1 ILE A 44 1.512 5.083 3.980 1.00 41.13 C ATOM 0 H ILE A 44 -1.190 7.761 4.891 1.00 3.21 H new ATOM 0 HA ILE A 44 1.201 8.918 5.834 1.00 31.02 H new ATOM 0 HB ILE A 44 0.606 7.600 3.133 1.00 13.54 H new ATOM 0 HG12 ILE A 44 1.652 6.337 5.708 1.00 72.31 H new ATOM 0 HG13 ILE A 44 0.024 6.154 5.083 1.00 72.31 H new ATOM 0 HG21 ILE A 44 3.047 7.099 3.066 1.00 63.41 H new ATOM 0 HG22 ILE A 44 2.732 8.850 3.086 1.00 63.41 H new ATOM 0 HG23 ILE A 44 3.268 8.026 4.569 1.00 63.41 H new ATOM 0 HD11 ILE A 44 1.385 4.179 4.576 1.00 41.13 H new ATOM 0 HD12 ILE A 44 0.910 5.008 3.075 1.00 41.13 H new ATOM 0 HD13 ILE A 44 2.562 5.194 3.709 1.00 41.13 H new ATOM 739 N GLU A 45 -0.169 10.326 3.143 1.00 60.33 N ATOM 740 CA GLU A 45 -0.203 11.474 2.226 1.00 15.32 C ATOM 741 C GLU A 45 -0.392 12.797 2.983 1.00 42.33 C ATOM 742 O GLU A 45 0.299 13.769 2.692 1.00 62.41 O ATOM 743 CB GLU A 45 -1.332 11.280 1.170 1.00 13.14 C ATOM 744 CG GLU A 45 -1.057 10.150 0.154 1.00 22.43 C ATOM 745 CD GLU A 45 -2.252 9.865 -0.773 1.00 53.14 C ATOM 746 OE1 GLU A 45 -2.392 10.545 -1.813 1.00 2.12 O ATOM 747 OE2 GLU A 45 -3.055 8.956 -0.472 1.00 14.10 O ATOM 0 H GLU A 45 -0.914 9.651 2.970 1.00 60.33 H new ATOM 0 HA GLU A 45 0.758 11.526 1.714 1.00 15.32 H new ATOM 0 HB2 GLU A 45 -2.267 11.068 1.688 1.00 13.14 H new ATOM 0 HB3 GLU A 45 -1.473 12.215 0.628 1.00 13.14 H new ATOM 0 HG2 GLU A 45 -0.191 10.417 -0.452 1.00 22.43 H new ATOM 0 HG3 GLU A 45 -0.799 9.239 0.694 1.00 22.43 H new ATOM 754 N THR A 46 -1.301 12.810 3.975 1.00 10.31 N ATOM 755 CA THR A 46 -1.671 14.041 4.699 1.00 42.21 C ATOM 756 C THR A 46 -0.597 14.448 5.744 1.00 43.25 C ATOM 757 O THR A 46 -0.330 15.649 5.909 1.00 65.11 O ATOM 758 CB THR A 46 -3.099 13.927 5.351 1.00 53.14 C ATOM 759 OG1 THR A 46 -3.482 15.173 5.960 1.00 71.01 O ATOM 760 CG2 THR A 46 -3.188 12.806 6.398 1.00 23.20 C ATOM 0 H THR A 46 -1.795 11.977 4.295 1.00 10.31 H new ATOM 0 HA THR A 46 -1.715 14.840 3.959 1.00 42.21 H new ATOM 0 HB THR A 46 -3.784 13.682 4.540 1.00 53.14 H new ATOM 0 HG1 THR A 46 -4.373 15.082 6.358 1.00 71.01 H new ATOM 0 HG21 THR A 46 -4.195 12.775 6.813 1.00 23.20 H new ATOM 0 HG22 THR A 46 -2.960 11.850 5.927 1.00 23.20 H new ATOM 0 HG23 THR A 46 -2.472 12.997 7.197 1.00 23.20 H new ATOM 768 N VAL A 47 0.045 13.457 6.427 1.00 63.14 N ATOM 769 CA VAL A 47 1.141 13.757 7.390 1.00 54.21 C ATOM 770 C VAL A 47 2.391 14.293 6.666 1.00 15.22 C ATOM 771 O VAL A 47 3.118 15.120 7.217 1.00 1.51 O ATOM 772 CB VAL A 47 1.553 12.529 8.301 1.00 22.12 C ATOM 773 CG1 VAL A 47 0.386 12.070 9.190 1.00 52.50 C ATOM 774 CG2 VAL A 47 2.106 11.349 7.475 1.00 34.14 C ATOM 0 H VAL A 47 -0.173 12.465 6.331 1.00 63.14 H new ATOM 0 HA VAL A 47 0.732 14.523 8.049 1.00 54.21 H new ATOM 0 HB VAL A 47 2.357 12.879 8.948 1.00 22.12 H new ATOM 0 HG11 VAL A 47 0.705 11.226 9.802 1.00 52.50 H new ATOM 0 HG12 VAL A 47 0.077 12.891 9.837 1.00 52.50 H new ATOM 0 HG13 VAL A 47 -0.452 11.767 8.562 1.00 52.50 H new ATOM 0 HG21 VAL A 47 2.375 10.531 8.144 1.00 34.14 H new ATOM 0 HG22 VAL A 47 1.345 11.008 6.773 1.00 34.14 H new ATOM 0 HG23 VAL A 47 2.989 11.673 6.924 1.00 34.14 H new ATOM 784 N MET A 48 2.631 13.806 5.430 1.00 61.21 N ATOM 785 CA MET A 48 3.796 14.215 4.616 1.00 25.35 C ATOM 786 C MET A 48 3.529 15.498 3.817 1.00 4.34 C ATOM 787 O MET A 48 4.464 16.256 3.539 1.00 75.14 O ATOM 788 CB MET A 48 4.210 13.065 3.677 1.00 64.22 C ATOM 789 CG MET A 48 4.833 11.885 4.421 1.00 40.45 C ATOM 790 SD MET A 48 6.332 12.365 5.305 1.00 24.40 S ATOM 791 CE MET A 48 6.973 10.775 5.812 1.00 23.25 C ATOM 0 H MET A 48 2.028 13.123 4.971 1.00 61.21 H new ATOM 0 HA MET A 48 4.615 14.436 5.301 1.00 25.35 H new ATOM 0 HB2 MET A 48 3.335 12.720 3.126 1.00 64.22 H new ATOM 0 HB3 MET A 48 4.922 13.441 2.942 1.00 64.22 H new ATOM 0 HG2 MET A 48 4.109 11.478 5.127 1.00 40.45 H new ATOM 0 HG3 MET A 48 5.068 11.091 3.712 1.00 40.45 H new ATOM 0 HE1 MET A 48 6.987 10.719 6.900 1.00 23.25 H new ATOM 0 HE2 MET A 48 6.337 9.983 5.416 1.00 23.25 H new ATOM 0 HE3 MET A 48 7.986 10.652 5.429 1.00 23.25 H new ATOM 801 N GLU A 49 2.257 15.730 3.450 1.00 22.14 N ATOM 802 CA GLU A 49 1.835 16.957 2.732 1.00 25.10 C ATOM 803 C GLU A 49 1.984 18.184 3.650 1.00 4.04 C ATOM 804 O GLU A 49 2.341 19.282 3.206 1.00 31.23 O ATOM 805 CB GLU A 49 0.363 16.814 2.272 1.00 61.14 C ATOM 806 CG GLU A 49 -0.199 18.010 1.486 1.00 5.43 C ATOM 807 CD GLU A 49 -1.688 17.842 1.162 1.00 5.32 C ATOM 808 OE1 GLU A 49 -2.537 18.342 1.937 1.00 64.31 O ATOM 809 OE2 GLU A 49 -2.018 17.185 0.149 1.00 51.03 O ATOM 0 H GLU A 49 1.493 15.081 3.638 1.00 22.14 H new ATOM 0 HA GLU A 49 2.471 17.094 1.857 1.00 25.10 H new ATOM 0 HB2 GLU A 49 0.278 15.921 1.653 1.00 61.14 H new ATOM 0 HB3 GLU A 49 -0.261 16.652 3.151 1.00 61.14 H new ATOM 0 HG2 GLU A 49 -0.056 18.923 2.065 1.00 5.43 H new ATOM 0 HG3 GLU A 49 0.362 18.129 0.559 1.00 5.43 H new ATOM 816 N LYS A 50 1.739 17.955 4.948 1.00 10.42 N ATOM 817 CA LYS A 50 1.966 18.955 5.999 1.00 4.22 C ATOM 818 C LYS A 50 3.463 18.918 6.401 1.00 5.03 C ATOM 819 O LYS A 50 4.048 19.954 6.720 1.00 41.32 O ATOM 820 CB LYS A 50 1.038 18.662 7.235 1.00 53.25 C ATOM 821 CG LYS A 50 0.470 19.917 7.963 1.00 14.03 C ATOM 822 CD LYS A 50 1.546 20.890 8.497 1.00 5.23 C ATOM 823 CE LYS A 50 2.415 20.282 9.618 1.00 12.44 C ATOM 824 NZ LYS A 50 3.593 21.142 9.913 1.00 62.44 N ATOM 0 H LYS A 50 1.377 17.068 5.299 1.00 10.42 H new ATOM 0 HA LYS A 50 1.719 19.951 5.631 1.00 4.22 H new ATOM 0 HB2 LYS A 50 0.201 18.048 6.901 1.00 53.25 H new ATOM 0 HB3 LYS A 50 1.600 18.069 7.956 1.00 53.25 H new ATOM 0 HG2 LYS A 50 -0.181 20.457 7.275 1.00 14.03 H new ATOM 0 HG3 LYS A 50 -0.150 19.588 8.797 1.00 14.03 H new ATOM 0 HD2 LYS A 50 2.190 21.196 7.673 1.00 5.23 H new ATOM 0 HD3 LYS A 50 1.058 21.790 8.872 1.00 5.23 H new ATOM 0 HE2 LYS A 50 1.816 20.160 10.520 1.00 12.44 H new ATOM 0 HE3 LYS A 50 2.752 19.289 9.322 1.00 12.44 H new ATOM 0 HZ1 LYS A 50 4.159 20.708 10.670 1.00 62.44 H new ATOM 0 HZ2 LYS A 50 4.176 21.238 9.057 1.00 62.44 H new ATOM 0 HZ3 LYS A 50 3.269 22.082 10.218 1.00 62.44 H new ATOM 838 N GLN A 51 4.036 17.693 6.382 1.00 30.14 N ATOM 839 CA GLN A 51 5.432 17.387 6.789 1.00 55.34 C ATOM 840 C GLN A 51 5.588 17.445 8.329 1.00 72.42 C ATOM 841 O GLN A 51 4.881 18.206 9.004 1.00 35.43 O ATOM 842 CB GLN A 51 6.474 18.299 6.059 1.00 53.44 C ATOM 843 CG GLN A 51 7.961 17.964 6.314 1.00 43.35 C ATOM 844 CD GLN A 51 8.341 16.550 5.867 1.00 3.54 C ATOM 845 OE1 GLN A 51 8.274 15.595 6.645 1.00 24.20 O ATOM 846 NE2 GLN A 51 8.717 16.405 4.609 1.00 4.24 N ATOM 0 H GLN A 51 3.527 16.864 6.075 1.00 30.14 H new ATOM 0 HA GLN A 51 5.646 16.365 6.475 1.00 55.34 H new ATOM 0 HB2 GLN A 51 6.288 18.243 4.986 1.00 53.44 H new ATOM 0 HB3 GLN A 51 6.298 19.332 6.360 1.00 53.44 H new ATOM 0 HG2 GLN A 51 8.586 18.686 5.788 1.00 43.35 H new ATOM 0 HG3 GLN A 51 8.175 18.073 7.377 1.00 43.35 H new ATOM 0 HE21 GLN A 51 8.761 17.217 3.993 1.00 4.24 H new ATOM 0 HE22 GLN A 51 8.963 15.481 4.254 1.00 4.24 H new ATOM 855 N THR A 52 6.515 16.617 8.856 1.00 32.01 N ATOM 856 CA THR A 52 6.861 16.538 10.286 1.00 31.34 C ATOM 857 C THR A 52 7.119 17.950 10.898 1.00 43.31 C ATOM 858 O THR A 52 8.023 18.654 10.439 1.00 71.33 O ATOM 859 CB THR A 52 8.128 15.640 10.473 1.00 33.34 C ATOM 860 OG1 THR A 52 7.862 14.322 9.959 1.00 70.34 O ATOM 861 CG2 THR A 52 8.580 15.545 11.947 1.00 50.51 C ATOM 0 H THR A 52 7.055 15.970 8.282 1.00 32.01 H new ATOM 0 HA THR A 52 6.013 16.098 10.811 1.00 31.34 H new ATOM 0 HB THR A 52 8.942 16.107 9.919 1.00 33.34 H new ATOM 0 HG1 THR A 52 8.460 14.138 9.205 1.00 70.34 H new ATOM 0 HG21 THR A 52 9.463 14.910 12.017 1.00 50.51 H new ATOM 0 HG22 THR A 52 8.820 16.541 12.319 1.00 50.51 H new ATOM 0 HG23 THR A 52 7.777 15.117 12.547 1.00 50.51 H new ATOM 869 N PRO A 53 6.286 18.398 11.898 1.00 45.31 N ATOM 870 CA PRO A 53 6.517 19.677 12.614 1.00 62.12 C ATOM 871 C PRO A 53 7.828 19.630 13.455 1.00 4.14 C ATOM 872 O PRO A 53 8.215 18.553 13.917 1.00 51.44 O ATOM 873 CB PRO A 53 5.250 19.825 13.505 1.00 15.20 C ATOM 874 CG PRO A 53 4.732 18.430 13.683 1.00 70.12 C ATOM 875 CD PRO A 53 5.058 17.706 12.397 1.00 51.34 C ATOM 0 HA PRO A 53 6.654 20.525 11.944 1.00 62.12 H new ATOM 0 HB2 PRO A 53 5.494 20.280 14.465 1.00 15.20 H new ATOM 0 HB3 PRO A 53 4.506 20.464 13.029 1.00 15.20 H new ATOM 0 HG2 PRO A 53 5.203 17.943 14.537 1.00 70.12 H new ATOM 0 HG3 PRO A 53 3.658 18.432 13.870 1.00 70.12 H new ATOM 0 HD2 PRO A 53 5.239 16.645 12.570 1.00 51.34 H new ATOM 0 HD3 PRO A 53 4.240 17.777 11.680 1.00 51.34 H new ATOM 883 N PRO A 54 8.541 20.787 13.649 1.00 61.14 N ATOM 884 CA PRO A 54 9.797 20.837 14.450 1.00 55.24 C ATOM 885 C PRO A 54 9.565 20.570 15.955 1.00 62.30 C ATOM 886 O PRO A 54 10.500 20.205 16.677 1.00 75.24 O ATOM 887 CB PRO A 54 10.333 22.279 14.208 1.00 22.22 C ATOM 888 CG PRO A 54 9.565 22.787 13.020 1.00 54.22 C ATOM 889 CD PRO A 54 8.215 22.121 13.097 1.00 10.01 C ATOM 0 HA PRO A 54 10.498 20.059 14.147 1.00 55.24 H new ATOM 0 HB2 PRO A 54 10.172 22.911 15.081 1.00 22.22 H new ATOM 0 HB3 PRO A 54 11.405 22.273 14.012 1.00 22.22 H new ATOM 0 HG2 PRO A 54 9.469 23.872 13.050 1.00 54.22 H new ATOM 0 HG3 PRO A 54 10.073 22.537 12.089 1.00 54.22 H new ATOM 0 HD2 PRO A 54 7.529 22.670 13.742 1.00 10.01 H new ATOM 0 HD3 PRO A 54 7.742 22.049 12.117 1.00 10.01 H new ATOM 897 N GLY A 55 8.311 20.764 16.413 1.00 24.30 N ATOM 898 CA GLY A 55 7.938 20.550 17.811 1.00 25.30 C ATOM 899 C GLY A 55 7.614 19.093 18.122 1.00 5.42 C ATOM 900 O GLY A 55 6.486 18.767 18.517 1.00 44.32 O ATOM 0 H GLY A 55 7.539 21.072 15.822 1.00 24.30 H new ATOM 0 HA2 GLY A 55 8.753 20.881 18.454 1.00 25.30 H new ATOM 0 HA3 GLY A 55 7.073 21.168 18.050 1.00 25.30 H new ATOM 904 N ILE A 56 8.604 18.208 17.905 1.00 43.44 N ATOM 905 CA ILE A 56 8.526 16.778 18.250 1.00 64.11 C ATOM 906 C ILE A 56 9.647 16.471 19.255 1.00 11.34 C ATOM 907 O ILE A 56 10.831 16.577 18.915 1.00 42.51 O ATOM 908 CB ILE A 56 8.682 15.857 16.969 1.00 31.05 C ATOM 909 CG1 ILE A 56 7.610 16.197 15.885 1.00 0.32 C ATOM 910 CG2 ILE A 56 8.623 14.353 17.336 1.00 44.41 C ATOM 911 CD1 ILE A 56 6.168 16.087 16.349 1.00 0.23 C ATOM 0 H ILE A 56 9.493 18.471 17.479 1.00 43.44 H new ATOM 0 HA ILE A 56 7.547 16.567 18.681 1.00 64.11 H new ATOM 0 HB ILE A 56 9.667 16.063 16.549 1.00 31.05 H new ATOM 0 HG12 ILE A 56 7.785 17.212 15.529 1.00 0.32 H new ATOM 0 HG13 ILE A 56 7.753 15.532 15.033 1.00 0.32 H new ATOM 0 HG21 ILE A 56 8.733 13.753 16.432 1.00 44.41 H new ATOM 0 HG22 ILE A 56 9.430 14.116 18.030 1.00 44.41 H new ATOM 0 HG23 ILE A 56 7.664 14.130 17.804 1.00 44.41 H new ATOM 0 HD11 ILE A 56 5.500 16.342 15.526 1.00 0.23 H new ATOM 0 HD12 ILE A 56 5.968 15.066 16.675 1.00 0.23 H new ATOM 0 HD13 ILE A 56 6.000 16.773 17.179 1.00 0.23 H new ATOM 923 N THR A 57 9.268 16.128 20.497 1.00 61.11 N ATOM 924 CA THR A 57 10.225 15.745 21.551 1.00 12.22 C ATOM 925 C THR A 57 10.759 14.321 21.296 1.00 34.23 C ATOM 926 O THR A 57 10.249 13.614 20.428 1.00 0.31 O ATOM 927 CB THR A 57 9.556 15.820 22.966 1.00 41.03 C ATOM 928 OG1 THR A 57 10.515 15.533 24.003 1.00 55.42 O ATOM 929 CG2 THR A 57 8.372 14.849 23.101 1.00 74.42 C ATOM 0 H THR A 57 8.294 16.108 20.799 1.00 61.11 H new ATOM 0 HA THR A 57 11.058 16.448 21.525 1.00 12.22 H new ATOM 0 HB THR A 57 9.183 16.838 23.077 1.00 41.03 H new ATOM 0 HG1 THR A 57 10.077 15.587 24.878 1.00 55.42 H new ATOM 0 HG21 THR A 57 7.941 14.937 24.098 1.00 74.42 H new ATOM 0 HG22 THR A 57 7.615 15.093 22.356 1.00 74.42 H new ATOM 0 HG23 THR A 57 8.719 13.828 22.945 1.00 74.42 H new ATOM 937 N ARG A 58 11.736 13.895 22.112 1.00 2.35 N ATOM 938 CA ARG A 58 12.388 12.571 21.983 1.00 54.31 C ATOM 939 C ARG A 58 11.407 11.416 22.298 1.00 64.34 C ATOM 940 O ARG A 58 11.589 10.301 21.805 1.00 2.44 O ATOM 941 CB ARG A 58 13.684 12.497 22.877 1.00 72.15 C ATOM 942 CG ARG A 58 13.646 13.284 24.225 1.00 11.20 C ATOM 943 CD ARG A 58 12.612 12.774 25.253 1.00 65.31 C ATOM 944 NE ARG A 58 12.346 13.775 26.307 1.00 44.41 N ATOM 945 CZ ARG A 58 11.341 13.720 27.204 1.00 63.30 C ATOM 946 NH1 ARG A 58 10.481 12.702 27.205 1.00 41.45 N ATOM 947 NH2 ARG A 58 11.185 14.702 28.084 1.00 43.03 N ATOM 0 H ARG A 58 12.100 14.455 22.882 1.00 2.35 H new ATOM 0 HA ARG A 58 12.693 12.449 20.944 1.00 54.31 H new ATOM 0 HB2 ARG A 58 13.886 11.449 23.099 1.00 72.15 H new ATOM 0 HB3 ARG A 58 14.525 12.866 22.290 1.00 72.15 H new ATOM 0 HG2 ARG A 58 14.636 13.244 24.679 1.00 11.20 H new ATOM 0 HG3 ARG A 58 13.435 14.332 24.010 1.00 11.20 H new ATOM 0 HD2 ARG A 58 11.681 12.529 24.741 1.00 65.31 H new ATOM 0 HD3 ARG A 58 12.977 11.854 25.709 1.00 65.31 H new ATOM 0 HE ARG A 58 12.976 14.575 26.360 1.00 44.41 H new ATOM 0 HH11 ARG A 58 10.578 11.951 26.521 1.00 41.45 H new ATOM 0 HH12 ARG A 58 9.725 12.673 27.890 1.00 41.45 H new ATOM 0 HH21 ARG A 58 11.825 15.496 28.081 1.00 43.03 H new ATOM 0 HH22 ARG A 58 10.425 14.662 28.763 1.00 43.03 H new ATOM 961 N SER A 59 10.353 11.717 23.087 1.00 33.22 N ATOM 962 CA SER A 59 9.309 10.743 23.441 1.00 2.32 C ATOM 963 C SER A 59 8.445 10.412 22.206 1.00 13.31 C ATOM 964 O SER A 59 8.338 9.253 21.805 1.00 64.30 O ATOM 965 CB SER A 59 8.437 11.301 24.592 1.00 34.12 C ATOM 966 OG SER A 59 7.446 10.371 24.999 1.00 11.34 O ATOM 0 H SER A 59 10.206 12.641 23.493 1.00 33.22 H new ATOM 0 HA SER A 59 9.781 9.821 23.780 1.00 2.32 H new ATOM 0 HB2 SER A 59 9.073 11.551 25.442 1.00 34.12 H new ATOM 0 HB3 SER A 59 7.958 12.226 24.270 1.00 34.12 H new ATOM 0 HG SER A 59 6.916 10.756 25.728 1.00 11.34 H new ATOM 972 N ILE A 60 7.880 11.472 21.598 1.00 52.34 N ATOM 973 CA ILE A 60 7.012 11.385 20.407 1.00 33.31 C ATOM 974 C ILE A 60 7.807 10.888 19.179 1.00 23.20 C ATOM 975 O ILE A 60 7.285 10.139 18.357 1.00 2.14 O ATOM 976 CB ILE A 60 6.357 12.788 20.120 1.00 31.45 C ATOM 977 CG1 ILE A 60 5.525 13.248 21.362 1.00 24.44 C ATOM 978 CG2 ILE A 60 5.487 12.769 18.836 1.00 3.54 C ATOM 979 CD1 ILE A 60 5.018 14.673 21.295 1.00 23.05 C ATOM 0 H ILE A 60 8.016 12.429 21.925 1.00 52.34 H new ATOM 0 HA ILE A 60 6.221 10.661 20.603 1.00 33.31 H new ATOM 0 HB ILE A 60 7.157 13.508 19.945 1.00 31.45 H new ATOM 0 HG12 ILE A 60 4.672 12.579 21.478 1.00 24.44 H new ATOM 0 HG13 ILE A 60 6.140 13.138 22.255 1.00 24.44 H new ATOM 0 HG21 ILE A 60 5.054 13.756 18.675 1.00 3.54 H new ATOM 0 HG22 ILE A 60 6.107 12.501 17.980 1.00 3.54 H new ATOM 0 HG23 ILE A 60 4.688 12.036 18.949 1.00 3.54 H new ATOM 0 HD11 ILE A 60 4.453 14.901 22.199 1.00 23.05 H new ATOM 0 HD12 ILE A 60 5.863 15.356 21.213 1.00 23.05 H new ATOM 0 HD13 ILE A 60 4.372 14.789 20.425 1.00 23.05 H new ATOM 991 N GLN A 61 9.082 11.310 19.103 1.00 31.15 N ATOM 992 CA GLN A 61 10.036 10.892 18.057 1.00 51.21 C ATOM 993 C GLN A 61 10.273 9.374 18.111 1.00 65.14 C ATOM 994 O GLN A 61 10.310 8.723 17.072 1.00 25.24 O ATOM 995 CB GLN A 61 11.367 11.664 18.242 1.00 11.21 C ATOM 996 CG GLN A 61 12.509 11.266 17.292 1.00 52.35 C ATOM 997 CD GLN A 61 13.800 12.026 17.593 1.00 0.41 C ATOM 998 OE1 GLN A 61 14.597 11.600 18.426 1.00 35.32 O ATOM 999 NE2 GLN A 61 14.017 13.151 16.917 1.00 24.25 N ATOM 0 H GLN A 61 9.486 11.961 19.776 1.00 31.15 H new ATOM 0 HA GLN A 61 9.620 11.126 17.077 1.00 51.21 H new ATOM 0 HB2 GLN A 61 11.169 12.728 18.115 1.00 11.21 H new ATOM 0 HB3 GLN A 61 11.707 11.523 19.268 1.00 11.21 H new ATOM 0 HG2 GLN A 61 12.692 10.195 17.375 1.00 52.35 H new ATOM 0 HG3 GLN A 61 12.207 11.459 16.263 1.00 52.35 H new ATOM 0 HE21 GLN A 61 13.333 13.475 16.233 1.00 24.25 H new ATOM 0 HE22 GLN A 61 14.867 13.690 17.083 1.00 24.25 H new ATOM 1008 N ASP A 62 10.413 8.828 19.340 1.00 40.32 N ATOM 1009 CA ASP A 62 10.587 7.374 19.567 1.00 70.34 C ATOM 1010 C ASP A 62 9.323 6.599 19.150 1.00 45.21 C ATOM 1011 O ASP A 62 9.406 5.570 18.469 1.00 52.45 O ATOM 1012 CB ASP A 62 10.903 7.102 21.057 1.00 73.30 C ATOM 1013 CG ASP A 62 11.104 5.606 21.371 1.00 2.02 C ATOM 1014 OD1 ASP A 62 10.150 4.930 21.827 1.00 12.12 O ATOM 1015 OD2 ASP A 62 12.220 5.095 21.153 1.00 61.32 O ATOM 0 H ASP A 62 10.409 9.379 20.199 1.00 40.32 H new ATOM 0 HA ASP A 62 11.421 7.031 18.955 1.00 70.34 H new ATOM 0 HB2 ASP A 62 11.803 7.650 21.337 1.00 73.30 H new ATOM 0 HB3 ASP A 62 10.090 7.490 21.671 1.00 73.30 H new ATOM 1020 N MET A 63 8.166 7.129 19.581 1.00 70.44 N ATOM 1021 CA MET A 63 6.826 6.579 19.283 1.00 12.22 C ATOM 1022 C MET A 63 6.642 6.376 17.778 1.00 24.52 C ATOM 1023 O MET A 63 6.420 5.251 17.310 1.00 1.31 O ATOM 1024 CB MET A 63 5.750 7.552 19.836 1.00 22.11 C ATOM 1025 CG MET A 63 5.654 7.597 21.366 1.00 3.14 C ATOM 1026 SD MET A 63 4.713 9.014 21.978 1.00 2.03 S ATOM 1027 CE MET A 63 3.378 9.174 20.793 1.00 11.15 C ATOM 0 H MET A 63 8.132 7.969 20.158 1.00 70.44 H new ATOM 0 HA MET A 63 6.722 5.605 19.762 1.00 12.22 H new ATOM 0 HB2 MET A 63 5.964 8.556 19.469 1.00 22.11 H new ATOM 0 HB3 MET A 63 4.779 7.266 19.433 1.00 22.11 H new ATOM 0 HG2 MET A 63 5.188 6.678 21.722 1.00 3.14 H new ATOM 0 HG3 MET A 63 6.659 7.628 21.786 1.00 3.14 H new ATOM 0 HE1 MET A 63 2.637 9.878 21.172 1.00 11.15 H new ATOM 0 HE2 MET A 63 3.774 9.540 19.846 1.00 11.15 H new ATOM 0 HE3 MET A 63 2.910 8.202 20.639 1.00 11.15 H new ATOM 1037 N VAL A 64 6.788 7.478 17.028 1.00 34.01 N ATOM 1038 CA VAL A 64 6.607 7.479 15.574 1.00 1.12 C ATOM 1039 C VAL A 64 7.779 6.817 14.843 1.00 34.41 C ATOM 1040 O VAL A 64 7.600 6.369 13.732 1.00 62.35 O ATOM 1041 CB VAL A 64 6.319 8.907 15.005 1.00 54.22 C ATOM 1042 CG1 VAL A 64 5.050 9.507 15.664 1.00 23.05 C ATOM 1043 CG2 VAL A 64 7.539 9.839 15.155 1.00 1.14 C ATOM 0 H VAL A 64 7.034 8.390 17.413 1.00 34.01 H new ATOM 0 HA VAL A 64 5.720 6.875 15.384 1.00 1.12 H new ATOM 0 HB VAL A 64 6.130 8.813 13.936 1.00 54.22 H new ATOM 0 HG11 VAL A 64 4.864 10.501 15.257 1.00 23.05 H new ATOM 0 HG12 VAL A 64 4.194 8.864 15.458 1.00 23.05 H new ATOM 0 HG13 VAL A 64 5.199 9.578 16.741 1.00 23.05 H new ATOM 0 HG21 VAL A 64 7.299 10.821 14.748 1.00 1.14 H new ATOM 0 HG22 VAL A 64 7.795 9.936 16.210 1.00 1.14 H new ATOM 0 HG23 VAL A 64 8.386 9.419 14.613 1.00 1.14 H new ATOM 1053 N ALA A 65 8.968 6.742 15.474 1.00 2.45 N ATOM 1054 CA ALA A 65 10.096 5.946 14.933 1.00 71.12 C ATOM 1055 C ALA A 65 9.698 4.459 14.878 1.00 22.55 C ATOM 1056 O ALA A 65 10.002 3.756 13.913 1.00 30.14 O ATOM 1057 CB ALA A 65 11.372 6.134 15.765 1.00 25.42 C ATOM 0 H ALA A 65 9.175 7.218 16.352 1.00 2.45 H new ATOM 0 HA ALA A 65 10.313 6.300 13.925 1.00 71.12 H new ATOM 0 HB1 ALA A 65 12.176 5.535 15.338 1.00 25.42 H new ATOM 0 HB2 ALA A 65 11.659 7.185 15.758 1.00 25.42 H new ATOM 0 HB3 ALA A 65 11.188 5.815 16.791 1.00 25.42 H new ATOM 1063 N GLY A 66 8.963 4.016 15.918 1.00 42.01 N ATOM 1064 CA GLY A 66 8.385 2.676 15.947 1.00 71.04 C ATOM 1065 C GLY A 66 7.291 2.508 14.901 1.00 13.34 C ATOM 1066 O GLY A 66 7.248 1.492 14.212 1.00 34.10 O ATOM 0 H GLY A 66 8.761 4.576 16.746 1.00 42.01 H new ATOM 0 HA2 GLY A 66 9.169 1.938 15.775 1.00 71.04 H new ATOM 0 HA3 GLY A 66 7.974 2.479 16.937 1.00 71.04 H new ATOM 1070 N TYR A 67 6.438 3.545 14.758 1.00 61.50 N ATOM 1071 CA TYR A 67 5.303 3.532 13.813 1.00 11.12 C ATOM 1072 C TYR A 67 5.762 3.487 12.336 1.00 71.02 C ATOM 1073 O TYR A 67 5.178 2.754 11.522 1.00 61.03 O ATOM 1074 CB TYR A 67 4.367 4.752 14.049 1.00 44.25 C ATOM 1075 CG TYR A 67 3.595 4.716 15.391 1.00 0.24 C ATOM 1076 CD1 TYR A 67 3.447 5.861 16.184 1.00 40.52 C ATOM 1077 CD2 TYR A 67 3.016 3.530 15.861 1.00 62.32 C ATOM 1078 CE1 TYR A 67 2.752 5.822 17.380 1.00 73.33 C ATOM 1079 CE2 TYR A 67 2.322 3.490 17.052 1.00 22.42 C ATOM 1080 CZ TYR A 67 2.193 4.631 17.803 1.00 22.44 C ATOM 1081 OH TYR A 67 1.500 4.577 18.989 1.00 1.14 O ATOM 0 H TYR A 67 6.517 4.410 15.292 1.00 61.50 H new ATOM 0 HA TYR A 67 4.747 2.615 14.009 1.00 11.12 H new ATOM 0 HB2 TYR A 67 4.963 5.664 14.011 1.00 44.25 H new ATOM 0 HB3 TYR A 67 3.648 4.806 13.232 1.00 44.25 H new ATOM 0 HD1 TYR A 67 3.884 6.793 15.856 1.00 40.52 H new ATOM 0 HD2 TYR A 67 3.115 2.627 15.277 1.00 62.32 H new ATOM 0 HE1 TYR A 67 2.647 6.715 17.978 1.00 73.33 H new ATOM 0 HE2 TYR A 67 1.882 2.564 17.392 1.00 22.42 H new ATOM 0 HH TYR A 67 1.172 3.665 19.135 1.00 1.14 H new ATOM 1091 N ILE A 68 6.820 4.255 12.004 1.00 32.11 N ATOM 1092 CA ILE A 68 7.355 4.315 10.630 1.00 14.12 C ATOM 1093 C ILE A 68 8.135 3.021 10.327 1.00 10.22 C ATOM 1094 O ILE A 68 8.086 2.512 9.213 1.00 45.23 O ATOM 1095 CB ILE A 68 8.272 5.575 10.357 1.00 23.14 C ATOM 1096 CG1 ILE A 68 7.554 6.901 10.750 1.00 3.53 C ATOM 1097 CG2 ILE A 68 8.691 5.630 8.861 1.00 22.40 C ATOM 1098 CD1 ILE A 68 8.421 8.152 10.662 1.00 13.14 C ATOM 0 H ILE A 68 7.321 4.843 12.671 1.00 32.11 H new ATOM 0 HA ILE A 68 6.498 4.415 9.964 1.00 14.12 H new ATOM 0 HB ILE A 68 9.162 5.471 10.978 1.00 23.14 H new ATOM 0 HG12 ILE A 68 6.686 7.032 10.104 1.00 3.53 H new ATOM 0 HG13 ILE A 68 7.181 6.806 11.770 1.00 3.53 H new ATOM 0 HG21 ILE A 68 9.321 6.503 8.692 1.00 22.40 H new ATOM 0 HG22 ILE A 68 9.245 4.727 8.605 1.00 22.40 H new ATOM 0 HG23 ILE A 68 7.801 5.699 8.236 1.00 22.40 H new ATOM 0 HD11 ILE A 68 7.834 9.023 10.954 1.00 13.14 H new ATOM 0 HD12 ILE A 68 9.276 8.050 11.330 1.00 13.14 H new ATOM 0 HD13 ILE A 68 8.774 8.279 9.638 1.00 13.14 H new ATOM 1110 N LYS A 69 8.836 2.481 11.340 1.00 64.15 N ATOM 1111 CA LYS A 69 9.560 1.199 11.215 1.00 34.54 C ATOM 1112 C LYS A 69 8.585 0.043 10.899 1.00 25.24 C ATOM 1113 O LYS A 69 8.867 -0.800 10.032 1.00 72.51 O ATOM 1114 CB LYS A 69 10.338 0.899 12.515 1.00 3.11 C ATOM 1115 CG LYS A 69 11.191 -0.391 12.476 1.00 44.22 C ATOM 1116 CD LYS A 69 11.874 -0.691 13.830 1.00 2.54 C ATOM 1117 CE LYS A 69 10.865 -0.867 14.977 1.00 24.12 C ATOM 1118 NZ LYS A 69 11.540 -1.170 16.265 1.00 51.12 N ATOM 0 H LYS A 69 8.918 2.914 12.260 1.00 64.15 H new ATOM 0 HA LYS A 69 10.266 1.285 10.389 1.00 34.54 H new ATOM 0 HB2 LYS A 69 10.991 1.744 12.734 1.00 3.11 H new ATOM 0 HB3 LYS A 69 9.627 0.824 13.338 1.00 3.11 H new ATOM 0 HG2 LYS A 69 10.557 -1.233 12.198 1.00 44.22 H new ATOM 0 HG3 LYS A 69 11.952 -0.296 11.702 1.00 44.22 H new ATOM 0 HD2 LYS A 69 12.474 -1.596 13.737 1.00 2.54 H new ATOM 0 HD3 LYS A 69 12.558 0.121 14.075 1.00 2.54 H new ATOM 0 HE2 LYS A 69 10.273 0.042 15.082 1.00 24.12 H new ATOM 0 HE3 LYS A 69 10.173 -1.672 14.731 1.00 24.12 H new ATOM 0 HZ1 LYS A 69 10.826 -1.282 17.013 1.00 51.12 H new ATOM 0 HZ2 LYS A 69 12.085 -2.051 16.172 1.00 51.12 H new ATOM 0 HZ3 LYS A 69 12.182 -0.390 16.512 1.00 51.12 H new ATOM 1132 N GLN A 70 7.430 0.036 11.606 1.00 20.02 N ATOM 1133 CA GLN A 70 6.356 -0.952 11.387 1.00 63.42 C ATOM 1134 C GLN A 70 5.816 -0.847 9.957 1.00 45.52 C ATOM 1135 O GLN A 70 5.732 -1.850 9.249 1.00 10.32 O ATOM 1136 CB GLN A 70 5.180 -0.757 12.380 1.00 62.53 C ATOM 1137 CG GLN A 70 5.460 -1.137 13.847 1.00 71.33 C ATOM 1138 CD GLN A 70 4.221 -0.999 14.755 1.00 14.21 C ATOM 1139 OE1 GLN A 70 3.030 -1.273 14.220 1.00 13.20 O flip ATOM 1140 NE2 GLN A 70 4.328 -0.671 15.935 1.00 43.02 N flip ATOM 0 H GLN A 70 7.221 0.713 12.340 1.00 20.02 H new ATOM 0 HA GLN A 70 6.792 -1.937 11.552 1.00 63.42 H new ATOM 0 HB2 GLN A 70 4.875 0.289 12.349 1.00 62.53 H new ATOM 0 HB3 GLN A 70 4.333 -1.347 12.029 1.00 62.53 H new ATOM 0 HG2 GLN A 70 5.820 -2.165 13.887 1.00 71.33 H new ATOM 0 HG3 GLN A 70 6.259 -0.504 14.234 1.00 71.33 H new ATOM 0 HE21 GLN A 70 5.247 -0.465 16.326 1.00 43.02 H new ATOM 0 HE22 GLN A 70 3.497 -0.604 16.523 1.00 43.02 H new ATOM 1149 N THR A 71 5.474 0.389 9.546 1.00 31.00 N ATOM 1150 CA THR A 71 4.813 0.631 8.265 1.00 75.13 C ATOM 1151 C THR A 71 5.753 0.313 7.082 1.00 50.43 C ATOM 1152 O THR A 71 5.299 -0.192 6.071 1.00 44.42 O ATOM 1153 CB THR A 71 4.225 2.085 8.172 1.00 41.42 C ATOM 1154 OG1 THR A 71 3.243 2.149 7.145 1.00 45.24 O ATOM 1155 CG2 THR A 71 5.268 3.175 7.893 1.00 22.12 C ATOM 0 H THR A 71 5.649 1.234 10.091 1.00 31.00 H new ATOM 0 HA THR A 71 3.966 -0.052 8.202 1.00 75.13 H new ATOM 0 HB THR A 71 3.801 2.283 9.156 1.00 41.42 H new ATOM 0 HG1 THR A 71 3.226 3.052 6.764 1.00 45.24 H new ATOM 0 HG21 THR A 71 4.775 4.146 7.845 1.00 22.12 H new ATOM 0 HG22 THR A 71 6.009 3.183 8.693 1.00 22.12 H new ATOM 0 HG23 THR A 71 5.762 2.971 6.943 1.00 22.12 H new ATOM 1163 N LEU A 72 7.074 0.564 7.256 1.00 54.45 N ATOM 1164 CA LEU A 72 8.106 0.215 6.251 1.00 31.52 C ATOM 1165 C LEU A 72 8.227 -1.299 6.086 1.00 44.52 C ATOM 1166 O LEU A 72 8.347 -1.798 4.966 1.00 72.31 O ATOM 1167 CB LEU A 72 9.493 0.805 6.638 1.00 25.35 C ATOM 1168 CG LEU A 72 9.638 2.347 6.483 1.00 2.13 C ATOM 1169 CD1 LEU A 72 10.967 2.845 7.088 1.00 42.01 C ATOM 1170 CD2 LEU A 72 9.505 2.752 5.000 1.00 5.04 C ATOM 0 H LEU A 72 7.451 1.011 8.092 1.00 54.45 H new ATOM 0 HA LEU A 72 7.789 0.651 5.304 1.00 31.52 H new ATOM 0 HB2 LEU A 72 9.703 0.541 7.675 1.00 25.35 H new ATOM 0 HB3 LEU A 72 10.256 0.324 6.026 1.00 25.35 H new ATOM 0 HG LEU A 72 8.832 2.826 7.038 1.00 2.13 H new ATOM 0 HD11 LEU A 72 11.040 3.926 6.965 1.00 42.01 H new ATOM 0 HD12 LEU A 72 10.999 2.598 8.149 1.00 42.01 H new ATOM 0 HD13 LEU A 72 11.802 2.364 6.578 1.00 42.01 H new ATOM 0 HD21 LEU A 72 9.609 3.833 4.907 1.00 5.04 H new ATOM 0 HD22 LEU A 72 10.285 2.262 4.418 1.00 5.04 H new ATOM 0 HD23 LEU A 72 8.527 2.448 4.626 1.00 5.04 H new ATOM 1182 N ASP A 73 8.208 -2.008 7.229 1.00 30.24 N ATOM 1183 CA ASP A 73 8.288 -3.472 7.278 1.00 22.03 C ATOM 1184 C ASP A 73 7.118 -4.094 6.510 1.00 15.21 C ATOM 1185 O ASP A 73 7.319 -4.821 5.532 1.00 24.31 O ATOM 1186 CB ASP A 73 8.278 -3.965 8.750 1.00 40.02 C ATOM 1187 CG ASP A 73 8.272 -5.504 8.872 1.00 25.45 C ATOM 1188 OD1 ASP A 73 7.182 -6.104 9.033 1.00 70.24 O ATOM 1189 OD2 ASP A 73 9.364 -6.116 8.821 1.00 3.31 O ATOM 0 H ASP A 73 8.136 -1.574 8.149 1.00 30.24 H new ATOM 0 HA ASP A 73 9.222 -3.783 6.810 1.00 22.03 H new ATOM 0 HB2 ASP A 73 9.153 -3.569 9.266 1.00 40.02 H new ATOM 0 HB3 ASP A 73 7.400 -3.563 9.256 1.00 40.02 H new ATOM 1194 N ASN A 74 5.902 -3.741 6.951 1.00 51.25 N ATOM 1195 CA ASN A 74 4.651 -4.300 6.432 1.00 21.42 C ATOM 1196 C ASN A 74 4.474 -3.993 4.935 1.00 53.41 C ATOM 1197 O ASN A 74 4.117 -4.874 4.161 1.00 15.12 O ATOM 1198 CB ASN A 74 3.448 -3.751 7.241 1.00 51.34 C ATOM 1199 CG ASN A 74 3.524 -4.012 8.763 1.00 24.14 C ATOM 1200 OD1 ASN A 74 4.149 -5.102 9.193 1.00 45.44 O flip ATOM 1201 ND2 ASN A 74 3.016 -3.227 9.559 1.00 62.13 N flip ATOM 0 H ASN A 74 5.761 -3.050 7.688 1.00 51.25 H new ATOM 0 HA ASN A 74 4.694 -5.383 6.544 1.00 21.42 H new ATOM 0 HB2 ASN A 74 3.374 -2.677 7.073 1.00 51.34 H new ATOM 0 HB3 ASN A 74 2.532 -4.198 6.854 1.00 51.34 H new ATOM 0 HD21 ASN A 74 2.538 -2.393 9.218 1.00 62.13 H new ATOM 0 HD22 ASN A 74 3.072 -3.409 10.561 1.00 62.13 H new ATOM 1208 N GLU A 75 4.779 -2.744 4.548 1.00 53.11 N ATOM 1209 CA GLU A 75 4.612 -2.240 3.166 1.00 31.34 C ATOM 1210 C GLU A 75 5.680 -2.817 2.210 1.00 13.33 C ATOM 1211 O GLU A 75 5.443 -2.935 1.003 1.00 53.22 O ATOM 1212 CB GLU A 75 4.634 -0.697 3.215 1.00 22.44 C ATOM 1213 CG GLU A 75 4.374 0.049 1.900 1.00 2.34 C ATOM 1214 CD GLU A 75 4.133 1.554 2.128 1.00 62.52 C ATOM 1215 OE1 GLU A 75 2.980 2.021 1.982 1.00 55.01 O ATOM 1216 OE2 GLU A 75 5.076 2.267 2.504 1.00 22.45 O ATOM 0 H GLU A 75 5.153 -2.044 5.189 1.00 53.11 H new ATOM 0 HA GLU A 75 3.656 -2.573 2.761 1.00 31.34 H new ATOM 0 HB2 GLU A 75 3.889 -0.371 3.941 1.00 22.44 H new ATOM 0 HB3 GLU A 75 5.607 -0.385 3.594 1.00 22.44 H new ATOM 0 HG2 GLU A 75 5.225 -0.085 1.233 1.00 2.34 H new ATOM 0 HG3 GLU A 75 3.507 -0.386 1.402 1.00 2.34 H new ATOM 1223 N GLN A 76 6.848 -3.193 2.768 1.00 12.12 N ATOM 1224 CA GLN A 76 7.917 -3.899 2.019 1.00 0.04 C ATOM 1225 C GLN A 76 7.510 -5.363 1.754 1.00 11.31 C ATOM 1226 O GLN A 76 7.759 -5.913 0.670 1.00 73.23 O ATOM 1227 CB GLN A 76 9.248 -3.831 2.808 1.00 62.04 C ATOM 1228 CG GLN A 76 10.446 -4.555 2.156 1.00 35.23 C ATOM 1229 CD GLN A 76 11.768 -4.417 2.929 1.00 12.02 C ATOM 1230 OE1 GLN A 76 12.846 -4.420 2.339 1.00 13.30 O ATOM 1231 NE2 GLN A 76 11.707 -4.315 4.254 1.00 43.25 N ATOM 0 H GLN A 76 7.080 -3.019 3.746 1.00 12.12 H new ATOM 0 HA GLN A 76 8.060 -3.408 1.056 1.00 0.04 H new ATOM 0 HB2 GLN A 76 9.513 -2.783 2.950 1.00 62.04 H new ATOM 0 HB3 GLN A 76 9.085 -4.255 3.799 1.00 62.04 H new ATOM 0 HG2 GLN A 76 10.205 -5.614 2.057 1.00 35.23 H new ATOM 0 HG3 GLN A 76 10.586 -4.165 1.148 1.00 35.23 H new ATOM 0 HE21 GLN A 76 10.802 -4.314 4.724 1.00 43.25 H new ATOM 0 HE22 GLN A 76 12.565 -4.237 4.800 1.00 43.25 H new ATOM 1240 N LEU A 77 6.865 -5.979 2.758 1.00 12.10 N ATOM 1241 CA LEU A 77 6.328 -7.349 2.650 1.00 71.31 C ATOM 1242 C LEU A 77 5.140 -7.379 1.666 1.00 1.34 C ATOM 1243 O LEU A 77 4.951 -8.360 0.944 1.00 32.03 O ATOM 1244 CB LEU A 77 5.918 -7.875 4.049 1.00 63.04 C ATOM 1245 CG LEU A 77 7.066 -7.980 5.105 1.00 41.50 C ATOM 1246 CD1 LEU A 77 6.529 -8.427 6.482 1.00 75.23 C ATOM 1247 CD2 LEU A 77 8.201 -8.907 4.613 1.00 44.13 C ATOM 0 H LEU A 77 6.700 -5.544 3.666 1.00 12.10 H new ATOM 0 HA LEU A 77 7.103 -8.008 2.259 1.00 71.31 H new ATOM 0 HB2 LEU A 77 5.143 -7.221 4.448 1.00 63.04 H new ATOM 0 HB3 LEU A 77 5.471 -8.862 3.928 1.00 63.04 H new ATOM 0 HG LEU A 77 7.488 -6.983 5.229 1.00 41.50 H new ATOM 0 HD11 LEU A 77 7.354 -8.489 7.192 1.00 75.23 H new ATOM 0 HD12 LEU A 77 5.797 -7.703 6.840 1.00 75.23 H new ATOM 0 HD13 LEU A 77 6.056 -9.405 6.388 1.00 75.23 H new ATOM 0 HD21 LEU A 77 8.983 -8.958 5.370 1.00 44.13 H new ATOM 0 HD22 LEU A 77 7.803 -9.906 4.434 1.00 44.13 H new ATOM 0 HD23 LEU A 77 8.618 -8.511 3.687 1.00 44.13 H new ATOM 1259 N LEU A 78 4.362 -6.272 1.643 1.00 43.25 N ATOM 1260 CA LEU A 78 3.294 -6.045 0.645 1.00 42.33 C ATOM 1261 C LEU A 78 3.898 -5.908 -0.751 1.00 25.43 C ATOM 1262 O LEU A 78 3.363 -6.438 -1.703 1.00 43.53 O ATOM 1263 CB LEU A 78 2.490 -4.756 0.957 1.00 30.44 C ATOM 1264 CG LEU A 78 1.600 -4.778 2.227 1.00 11.23 C ATOM 1265 CD1 LEU A 78 1.060 -3.366 2.518 1.00 14.15 C ATOM 1266 CD2 LEU A 78 0.456 -5.808 2.089 1.00 45.35 C ATOM 0 H LEU A 78 4.458 -5.512 2.316 1.00 43.25 H new ATOM 0 HA LEU A 78 2.624 -6.904 0.688 1.00 42.33 H new ATOM 0 HB2 LEU A 78 3.195 -3.930 1.050 1.00 30.44 H new ATOM 0 HB3 LEU A 78 1.854 -4.537 0.100 1.00 30.44 H new ATOM 0 HG LEU A 78 2.210 -5.090 3.075 1.00 11.23 H new ATOM 0 HD11 LEU A 78 0.436 -3.392 3.412 1.00 14.15 H new ATOM 0 HD12 LEU A 78 1.894 -2.683 2.678 1.00 14.15 H new ATOM 0 HD13 LEU A 78 0.466 -3.022 1.671 1.00 14.15 H new ATOM 0 HD21 LEU A 78 -0.151 -5.801 2.994 1.00 45.35 H new ATOM 0 HD22 LEU A 78 -0.166 -5.548 1.233 1.00 45.35 H new ATOM 0 HD23 LEU A 78 0.877 -6.802 1.943 1.00 45.35 H new ATOM 1278 N LYS A 79 5.017 -5.170 -0.845 1.00 61.23 N ATOM 1279 CA LYS A 79 5.712 -4.915 -2.116 1.00 54.13 C ATOM 1280 C LYS A 79 6.027 -6.246 -2.826 1.00 41.45 C ATOM 1281 O LYS A 79 5.604 -6.459 -3.962 1.00 31.22 O ATOM 1282 CB LYS A 79 7.011 -4.113 -1.857 1.00 34.25 C ATOM 1283 CG LYS A 79 7.755 -3.645 -3.123 1.00 22.25 C ATOM 1284 CD LYS A 79 9.111 -2.980 -2.794 1.00 44.32 C ATOM 1285 CE LYS A 79 9.738 -2.289 -4.011 1.00 5.35 C ATOM 1286 NZ LYS A 79 8.891 -1.173 -4.502 1.00 75.00 N ATOM 0 H LYS A 79 5.465 -4.733 -0.040 1.00 61.23 H new ATOM 0 HA LYS A 79 5.064 -4.325 -2.764 1.00 54.13 H new ATOM 0 HB2 LYS A 79 6.765 -3.238 -1.255 1.00 34.25 H new ATOM 0 HB3 LYS A 79 7.687 -4.729 -1.264 1.00 34.25 H new ATOM 0 HG2 LYS A 79 7.921 -4.498 -3.780 1.00 22.25 H new ATOM 0 HG3 LYS A 79 7.130 -2.939 -3.669 1.00 22.25 H new ATOM 0 HD2 LYS A 79 8.970 -2.249 -1.998 1.00 44.32 H new ATOM 0 HD3 LYS A 79 9.799 -3.735 -2.414 1.00 44.32 H new ATOM 0 HE2 LYS A 79 10.724 -1.909 -3.746 1.00 5.35 H new ATOM 0 HE3 LYS A 79 9.881 -3.017 -4.810 1.00 5.35 H new ATOM 0 HZ1 LYS A 79 8.596 -1.365 -5.481 1.00 75.00 H new ATOM 0 HZ2 LYS A 79 8.049 -1.085 -3.898 1.00 75.00 H new ATOM 0 HZ3 LYS A 79 9.433 -0.286 -4.472 1.00 75.00 H new ATOM 1300 N GLY A 80 6.701 -7.157 -2.092 1.00 11.33 N ATOM 1301 CA GLY A 80 7.048 -8.482 -2.617 1.00 14.13 C ATOM 1302 C GLY A 80 5.826 -9.357 -2.926 1.00 62.31 C ATOM 1303 O GLY A 80 5.695 -9.864 -4.044 1.00 72.25 O ATOM 0 H GLY A 80 7.013 -6.993 -1.135 1.00 11.33 H new ATOM 0 HA2 GLY A 80 7.638 -8.361 -3.526 1.00 14.13 H new ATOM 0 HA3 GLY A 80 7.680 -8.997 -1.893 1.00 14.13 H new ATOM 1307 N LEU A 81 4.918 -9.484 -1.934 1.00 61.11 N ATOM 1308 CA LEU A 81 3.729 -10.372 -2.005 1.00 34.34 C ATOM 1309 C LEU A 81 2.794 -9.947 -3.159 1.00 31.11 C ATOM 1310 O LEU A 81 2.460 -10.756 -4.038 1.00 52.22 O ATOM 1311 CB LEU A 81 2.985 -10.340 -0.628 1.00 13.43 C ATOM 1312 CG LEU A 81 1.929 -11.468 -0.313 1.00 24.31 C ATOM 1313 CD1 LEU A 81 1.574 -11.470 1.189 1.00 74.34 C ATOM 1314 CD2 LEU A 81 0.635 -11.356 -1.155 1.00 74.12 C ATOM 0 H LEU A 81 4.987 -8.972 -1.055 1.00 61.11 H new ATOM 0 HA LEU A 81 4.049 -11.393 -2.211 1.00 34.34 H new ATOM 0 HB2 LEU A 81 3.741 -10.366 0.157 1.00 13.43 H new ATOM 0 HB3 LEU A 81 2.476 -9.379 -0.549 1.00 13.43 H new ATOM 0 HG LEU A 81 2.404 -12.410 -0.588 1.00 24.31 H new ATOM 0 HD11 LEU A 81 0.844 -12.254 1.389 1.00 74.34 H new ATOM 0 HD12 LEU A 81 2.474 -11.654 1.775 1.00 74.34 H new ATOM 0 HD13 LEU A 81 1.153 -10.503 1.465 1.00 74.34 H new ATOM 0 HD21 LEU A 81 -0.045 -12.164 -0.886 1.00 74.12 H new ATOM 0 HD22 LEU A 81 0.155 -10.397 -0.959 1.00 74.12 H new ATOM 0 HD23 LEU A 81 0.883 -11.428 -2.214 1.00 74.12 H new ATOM 1326 N LEU A 82 2.366 -8.672 -3.124 1.00 72.00 N ATOM 1327 CA LEU A 82 1.442 -8.105 -4.117 1.00 22.31 C ATOM 1328 C LEU A 82 2.070 -8.101 -5.519 1.00 1.11 C ATOM 1329 O LEU A 82 1.348 -8.223 -6.488 1.00 4.12 O ATOM 1330 CB LEU A 82 0.977 -6.668 -3.726 1.00 45.22 C ATOM 1331 CG LEU A 82 0.285 -6.508 -2.330 1.00 20.54 C ATOM 1332 CD1 LEU A 82 -0.168 -5.047 -2.089 1.00 63.13 C ATOM 1333 CD2 LEU A 82 -0.882 -7.497 -2.162 1.00 14.03 C ATOM 0 H LEU A 82 2.652 -8.007 -2.405 1.00 72.00 H new ATOM 0 HA LEU A 82 0.561 -8.746 -4.133 1.00 22.31 H new ATOM 0 HB2 LEU A 82 1.846 -6.010 -3.752 1.00 45.22 H new ATOM 0 HB3 LEU A 82 0.286 -6.314 -4.491 1.00 45.22 H new ATOM 0 HG LEU A 82 1.026 -6.750 -1.568 1.00 20.54 H new ATOM 0 HD11 LEU A 82 -0.644 -4.970 -1.112 1.00 63.13 H new ATOM 0 HD12 LEU A 82 0.699 -4.387 -2.123 1.00 63.13 H new ATOM 0 HD13 LEU A 82 -0.878 -4.754 -2.863 1.00 63.13 H new ATOM 0 HD21 LEU A 82 -1.339 -7.358 -1.182 1.00 14.03 H new ATOM 0 HD22 LEU A 82 -1.626 -7.317 -2.938 1.00 14.03 H new ATOM 0 HD23 LEU A 82 -0.509 -8.518 -2.247 1.00 14.03 H new ATOM 1345 N GLN A 83 3.419 -7.963 -5.617 1.00 74.21 N ATOM 1346 CA GLN A 83 4.134 -8.028 -6.919 1.00 33.13 C ATOM 1347 C GLN A 83 4.007 -9.427 -7.548 1.00 25.43 C ATOM 1348 O GLN A 83 3.822 -9.548 -8.766 1.00 52.41 O ATOM 1349 CB GLN A 83 5.626 -7.648 -6.748 1.00 25.22 C ATOM 1350 CG GLN A 83 6.438 -7.570 -8.056 1.00 43.30 C ATOM 1351 CD GLN A 83 7.927 -7.281 -7.859 1.00 63.22 C ATOM 1352 OE1 GLN A 83 8.516 -7.787 -6.774 1.00 63.42 O flip ATOM 1353 NE2 GLN A 83 8.559 -6.643 -8.702 1.00 11.32 N flip ATOM 0 H GLN A 83 4.030 -7.807 -4.815 1.00 74.21 H new ATOM 0 HA GLN A 83 3.669 -7.307 -7.591 1.00 33.13 H new ATOM 0 HB2 GLN A 83 5.683 -6.682 -6.246 1.00 25.22 H new ATOM 0 HB3 GLN A 83 6.097 -8.378 -6.090 1.00 25.22 H new ATOM 0 HG2 GLN A 83 6.331 -8.513 -8.592 1.00 43.30 H new ATOM 0 HG3 GLN A 83 6.010 -6.793 -8.689 1.00 43.30 H new ATOM 0 HE21 GLN A 83 8.081 -6.268 -9.522 1.00 11.32 H new ATOM 0 HE22 GLN A 83 9.560 -6.490 -8.581 1.00 11.32 H new ATOM 1362 N GLN A 84 4.098 -10.474 -6.694 1.00 62.23 N ATOM 1363 CA GLN A 84 3.899 -11.878 -7.114 1.00 41.31 C ATOM 1364 C GLN A 84 2.483 -12.060 -7.678 1.00 51.15 C ATOM 1365 O GLN A 84 2.301 -12.600 -8.772 1.00 51.01 O ATOM 1366 CB GLN A 84 4.128 -12.845 -5.926 1.00 55.12 C ATOM 1367 CG GLN A 84 5.553 -12.821 -5.343 1.00 45.53 C ATOM 1368 CD GLN A 84 5.764 -13.760 -4.152 1.00 72.54 C ATOM 1369 OE1 GLN A 84 6.553 -13.466 -3.253 1.00 34.44 O ATOM 1370 NE2 GLN A 84 5.086 -14.906 -4.139 1.00 64.21 N ATOM 0 H GLN A 84 4.310 -10.369 -5.702 1.00 62.23 H new ATOM 0 HA GLN A 84 4.627 -12.113 -7.891 1.00 41.31 H new ATOM 0 HB2 GLN A 84 3.421 -12.599 -5.133 1.00 55.12 H new ATOM 0 HB3 GLN A 84 3.900 -13.860 -6.252 1.00 55.12 H new ATOM 0 HG2 GLN A 84 6.259 -13.087 -6.130 1.00 45.53 H new ATOM 0 HG3 GLN A 84 5.789 -11.803 -5.034 1.00 45.53 H new ATOM 0 HE21 GLN A 84 4.439 -15.124 -4.897 1.00 64.21 H new ATOM 0 HE22 GLN A 84 5.214 -15.566 -3.371 1.00 64.21 H new ATOM 1379 N ARG A 85 1.496 -11.539 -6.924 1.00 4.42 N ATOM 1380 CA ARG A 85 0.077 -11.588 -7.293 1.00 70.32 C ATOM 1381 C ARG A 85 -0.196 -10.849 -8.611 1.00 41.02 C ATOM 1382 O ARG A 85 -0.839 -11.397 -9.493 1.00 54.15 O ATOM 1383 CB ARG A 85 -0.790 -11.013 -6.137 1.00 54.43 C ATOM 1384 CG ARG A 85 -0.950 -11.960 -4.922 1.00 33.00 C ATOM 1385 CD ARG A 85 -2.034 -13.046 -5.134 1.00 42.31 C ATOM 1386 NE ARG A 85 -1.800 -13.917 -6.302 1.00 72.11 N ATOM 1387 CZ ARG A 85 -2.728 -14.276 -7.211 1.00 44.40 C ATOM 1388 NH1 ARG A 85 -3.991 -13.856 -7.120 1.00 74.35 N ATOM 1389 NH2 ARG A 85 -2.380 -15.064 -8.213 1.00 34.21 N ATOM 0 H ARG A 85 1.668 -11.069 -6.035 1.00 4.42 H new ATOM 0 HA ARG A 85 -0.197 -12.631 -7.454 1.00 70.32 H new ATOM 0 HB2 ARG A 85 -0.345 -10.078 -5.797 1.00 54.43 H new ATOM 0 HB3 ARG A 85 -1.779 -10.772 -6.527 1.00 54.43 H new ATOM 0 HG2 ARG A 85 0.005 -12.444 -4.718 1.00 33.00 H new ATOM 0 HG3 ARG A 85 -1.203 -11.370 -4.041 1.00 33.00 H new ATOM 0 HD2 ARG A 85 -2.091 -13.666 -4.239 1.00 42.31 H new ATOM 0 HD3 ARG A 85 -3.003 -12.559 -5.247 1.00 42.31 H new ATOM 0 HE ARG A 85 -0.855 -14.278 -6.433 1.00 72.11 H new ATOM 0 HH11 ARG A 85 -4.272 -13.249 -6.350 1.00 74.35 H new ATOM 0 HH12 ARG A 85 -4.675 -14.141 -7.821 1.00 74.35 H new ATOM 0 HH21 ARG A 85 -1.418 -15.394 -8.292 1.00 34.21 H new ATOM 0 HH22 ARG A 85 -3.073 -15.343 -8.907 1.00 34.21 H new ATOM 1403 N LEU A 86 0.342 -9.621 -8.742 1.00 73.44 N ATOM 1404 CA LEU A 86 0.154 -8.768 -9.938 1.00 62.25 C ATOM 1405 C LEU A 86 0.770 -9.414 -11.187 1.00 65.32 C ATOM 1406 O LEU A 86 0.261 -9.238 -12.287 1.00 23.21 O ATOM 1407 CB LEU A 86 0.767 -7.354 -9.714 1.00 62.41 C ATOM 1408 CG LEU A 86 0.035 -6.443 -8.679 1.00 41.01 C ATOM 1409 CD1 LEU A 86 0.788 -5.111 -8.472 1.00 11.04 C ATOM 1410 CD2 LEU A 86 -1.430 -6.203 -9.088 1.00 74.25 C ATOM 0 H LEU A 86 0.921 -9.189 -8.022 1.00 73.44 H new ATOM 0 HA LEU A 86 -0.919 -8.665 -10.098 1.00 62.25 H new ATOM 0 HB2 LEU A 86 1.801 -7.476 -9.392 1.00 62.41 H new ATOM 0 HB3 LEU A 86 0.790 -6.835 -10.672 1.00 62.41 H new ATOM 0 HG LEU A 86 0.029 -6.966 -7.723 1.00 41.01 H new ATOM 0 HD11 LEU A 86 0.253 -4.499 -7.746 1.00 11.04 H new ATOM 0 HD12 LEU A 86 1.793 -5.315 -8.104 1.00 11.04 H new ATOM 0 HD13 LEU A 86 0.850 -4.577 -9.420 1.00 11.04 H new ATOM 0 HD21 LEU A 86 -1.914 -5.565 -8.349 1.00 74.25 H new ATOM 0 HD22 LEU A 86 -1.461 -5.716 -10.063 1.00 74.25 H new ATOM 0 HD23 LEU A 86 -1.954 -7.157 -9.143 1.00 74.25 H new ATOM 1422 N ASP A 87 1.864 -10.170 -10.985 1.00 32.12 N ATOM 1423 CA ASP A 87 2.560 -10.889 -12.065 1.00 21.32 C ATOM 1424 C ASP A 87 1.684 -12.032 -12.600 1.00 51.50 C ATOM 1425 O ASP A 87 1.493 -12.163 -13.813 1.00 30.10 O ATOM 1426 CB ASP A 87 3.918 -11.447 -11.564 1.00 13.23 C ATOM 1427 CG ASP A 87 4.718 -12.156 -12.674 1.00 50.45 C ATOM 1428 OD1 ASP A 87 4.823 -13.399 -12.657 1.00 13.22 O ATOM 1429 OD2 ASP A 87 5.233 -11.465 -13.582 1.00 21.04 O ATOM 0 H ASP A 87 2.290 -10.299 -10.067 1.00 32.12 H new ATOM 0 HA ASP A 87 2.752 -10.185 -12.875 1.00 21.32 H new ATOM 0 HB2 ASP A 87 4.514 -10.630 -11.158 1.00 13.23 H new ATOM 0 HB3 ASP A 87 3.739 -12.147 -10.748 1.00 13.23 H new ATOM 1434 N GLU A 88 1.146 -12.837 -11.664 1.00 53.13 N ATOM 1435 CA GLU A 88 0.273 -13.982 -11.977 1.00 54.43 C ATOM 1436 C GLU A 88 -1.020 -13.507 -12.661 1.00 5.12 C ATOM 1437 O GLU A 88 -1.375 -14.004 -13.729 1.00 43.25 O ATOM 1438 CB GLU A 88 -0.050 -14.769 -10.684 1.00 31.33 C ATOM 1439 CG GLU A 88 1.195 -15.336 -9.971 1.00 52.43 C ATOM 1440 CD GLU A 88 0.883 -15.898 -8.581 1.00 5.44 C ATOM 1441 OE1 GLU A 88 0.890 -17.134 -8.393 1.00 3.32 O ATOM 1442 OE2 GLU A 88 0.597 -15.098 -7.668 1.00 13.12 O ATOM 0 H GLU A 88 1.306 -12.710 -10.665 1.00 53.13 H new ATOM 0 HA GLU A 88 0.796 -14.643 -12.668 1.00 54.43 H new ATOM 0 HB2 GLU A 88 -0.584 -14.114 -9.996 1.00 31.33 H new ATOM 0 HB3 GLU A 88 -0.722 -15.591 -10.929 1.00 31.33 H new ATOM 0 HG2 GLU A 88 1.632 -16.123 -10.586 1.00 52.43 H new ATOM 0 HG3 GLU A 88 1.944 -14.550 -9.879 1.00 52.43 H new ATOM 1449 N LEU A 89 -1.672 -12.493 -12.052 1.00 53.54 N ATOM 1450 CA LEU A 89 -2.935 -11.913 -12.551 1.00 61.42 C ATOM 1451 C LEU A 89 -2.748 -11.307 -13.956 1.00 45.22 C ATOM 1452 O LEU A 89 -3.571 -11.540 -14.833 1.00 61.35 O ATOM 1453 CB LEU A 89 -3.477 -10.841 -11.553 1.00 10.40 C ATOM 1454 CG LEU A 89 -3.897 -11.380 -10.143 1.00 12.20 C ATOM 1455 CD1 LEU A 89 -4.227 -10.226 -9.171 1.00 54.33 C ATOM 1456 CD2 LEU A 89 -5.075 -12.371 -10.254 1.00 55.13 C ATOM 0 H LEU A 89 -1.334 -12.053 -11.196 1.00 53.54 H new ATOM 0 HA LEU A 89 -3.670 -12.715 -12.627 1.00 61.42 H new ATOM 0 HB2 LEU A 89 -2.711 -10.077 -11.417 1.00 10.40 H new ATOM 0 HB3 LEU A 89 -4.339 -10.351 -12.006 1.00 10.40 H new ATOM 0 HG LEU A 89 -3.044 -11.920 -9.731 1.00 12.20 H new ATOM 0 HD11 LEU A 89 -4.514 -10.637 -8.203 1.00 54.33 H new ATOM 0 HD12 LEU A 89 -3.350 -9.590 -9.050 1.00 54.33 H new ATOM 0 HD13 LEU A 89 -5.050 -9.636 -9.573 1.00 54.33 H new ATOM 0 HD21 LEU A 89 -5.345 -12.728 -9.260 1.00 55.13 H new ATOM 0 HD22 LEU A 89 -5.932 -11.869 -10.704 1.00 55.13 H new ATOM 0 HD23 LEU A 89 -4.782 -13.216 -10.876 1.00 55.13 H new ATOM 1468 N SER A 90 -1.633 -10.574 -14.160 1.00 75.25 N ATOM 1469 CA SER A 90 -1.294 -9.948 -15.466 1.00 70.34 C ATOM 1470 C SER A 90 -0.975 -11.003 -16.537 1.00 12.54 C ATOM 1471 O SER A 90 -1.265 -10.797 -17.724 1.00 1.13 O ATOM 1472 CB SER A 90 -0.093 -8.988 -15.310 1.00 61.22 C ATOM 1473 OG SER A 90 0.233 -8.331 -16.525 1.00 30.41 O ATOM 0 H SER A 90 -0.942 -10.397 -13.431 1.00 75.25 H new ATOM 0 HA SER A 90 -2.169 -9.386 -15.792 1.00 70.34 H new ATOM 0 HB2 SER A 90 -0.322 -8.244 -14.547 1.00 61.22 H new ATOM 0 HB3 SER A 90 0.774 -9.548 -14.959 1.00 61.22 H new ATOM 0 HG SER A 90 0.996 -7.734 -16.379 1.00 30.41 H new ATOM 1479 N SER A 91 -0.375 -12.130 -16.106 1.00 24.35 N ATOM 1480 CA SER A 91 -0.063 -13.259 -16.998 1.00 42.02 C ATOM 1481 C SER A 91 -1.368 -13.924 -17.468 1.00 24.13 C ATOM 1482 O SER A 91 -1.499 -14.303 -18.638 1.00 53.41 O ATOM 1483 CB SER A 91 0.854 -14.279 -16.283 1.00 24.33 C ATOM 1484 OG SER A 91 1.270 -15.309 -17.162 1.00 64.23 O ATOM 0 H SER A 91 -0.096 -12.281 -15.137 1.00 24.35 H new ATOM 0 HA SER A 91 0.472 -12.887 -17.871 1.00 42.02 H new ATOM 0 HB2 SER A 91 1.728 -13.766 -15.883 1.00 24.33 H new ATOM 0 HB3 SER A 91 0.324 -14.714 -15.436 1.00 24.33 H new ATOM 0 HG SER A 91 1.849 -15.936 -16.680 1.00 64.23 H new ATOM 1490 N LEU A 92 -2.345 -14.009 -16.540 1.00 14.24 N ATOM 1491 CA LEU A 92 -3.684 -14.543 -16.820 1.00 60.32 C ATOM 1492 C LEU A 92 -4.451 -13.609 -17.774 1.00 10.33 C ATOM 1493 O LEU A 92 -5.070 -14.083 -18.722 1.00 24.31 O ATOM 1494 CB LEU A 92 -4.468 -14.773 -15.493 1.00 10.23 C ATOM 1495 CG LEU A 92 -3.828 -15.812 -14.510 1.00 61.53 C ATOM 1496 CD1 LEU A 92 -4.604 -15.897 -13.179 1.00 4.41 C ATOM 1497 CD2 LEU A 92 -3.694 -17.199 -15.173 1.00 22.33 C ATOM 0 H LEU A 92 -2.221 -13.707 -15.574 1.00 14.24 H new ATOM 0 HA LEU A 92 -3.579 -15.508 -17.316 1.00 60.32 H new ATOM 0 HB2 LEU A 92 -4.562 -13.818 -14.976 1.00 10.23 H new ATOM 0 HB3 LEU A 92 -5.477 -15.104 -15.739 1.00 10.23 H new ATOM 0 HG LEU A 92 -2.825 -15.458 -14.273 1.00 61.53 H new ATOM 0 HD11 LEU A 92 -4.128 -16.628 -12.526 1.00 4.41 H new ATOM 0 HD12 LEU A 92 -4.602 -14.921 -12.693 1.00 4.41 H new ATOM 0 HD13 LEU A 92 -5.632 -16.202 -13.376 1.00 4.41 H new ATOM 0 HD21 LEU A 92 -3.247 -17.898 -14.467 1.00 22.33 H new ATOM 0 HD22 LEU A 92 -4.680 -17.559 -15.465 1.00 22.33 H new ATOM 0 HD23 LEU A 92 -3.060 -17.120 -16.056 1.00 22.33 H new ATOM 1509 N ILE A 93 -4.352 -12.276 -17.536 1.00 73.31 N ATOM 1510 CA ILE A 93 -4.952 -11.232 -18.407 1.00 23.42 C ATOM 1511 C ILE A 93 -4.367 -11.328 -19.833 1.00 15.23 C ATOM 1512 O ILE A 93 -5.092 -11.201 -20.824 1.00 12.42 O ATOM 1513 CB ILE A 93 -4.716 -9.779 -17.817 1.00 1.35 C ATOM 1514 CG1 ILE A 93 -5.432 -9.616 -16.438 1.00 3.13 C ATOM 1515 CG2 ILE A 93 -5.173 -8.666 -18.799 1.00 31.34 C ATOM 1516 CD1 ILE A 93 -5.150 -8.306 -15.716 1.00 14.30 C ATOM 0 H ILE A 93 -3.853 -11.894 -16.733 1.00 73.31 H new ATOM 0 HA ILE A 93 -6.027 -11.407 -18.447 1.00 23.42 H new ATOM 0 HB ILE A 93 -3.642 -9.666 -17.672 1.00 1.35 H new ATOM 0 HG12 ILE A 93 -6.508 -9.704 -16.592 1.00 3.13 H new ATOM 0 HG13 ILE A 93 -5.134 -10.441 -15.791 1.00 3.13 H new ATOM 0 HG21 ILE A 93 -4.992 -7.689 -18.351 1.00 31.34 H new ATOM 0 HG22 ILE A 93 -4.611 -8.749 -19.730 1.00 31.34 H new ATOM 0 HG23 ILE A 93 -6.237 -8.778 -19.006 1.00 31.34 H new ATOM 0 HD11 ILE A 93 -5.691 -8.288 -14.770 1.00 14.30 H new ATOM 0 HD12 ILE A 93 -4.081 -8.219 -15.524 1.00 14.30 H new ATOM 0 HD13 ILE A 93 -5.476 -7.471 -16.336 1.00 14.30 H new ATOM 1528 N GLY A 94 -3.052 -11.609 -19.906 1.00 22.13 N ATOM 1529 CA GLY A 94 -2.347 -11.766 -21.180 1.00 64.43 C ATOM 1530 C GLY A 94 -2.876 -12.927 -22.026 1.00 63.14 C ATOM 1531 O GLY A 94 -2.843 -12.876 -23.259 1.00 12.54 O ATOM 0 H GLY A 94 -2.457 -11.732 -19.086 1.00 22.13 H new ATOM 0 HA2 GLY A 94 -2.432 -10.841 -21.751 1.00 64.43 H new ATOM 0 HA3 GLY A 94 -1.286 -11.923 -20.983 1.00 64.43 H new ATOM 1535 N GLN A 95 -3.386 -13.970 -21.346 1.00 75.31 N ATOM 1536 CA GLN A 95 -3.929 -15.174 -22.000 1.00 20.21 C ATOM 1537 C GLN A 95 -5.431 -15.010 -22.326 1.00 64.15 C ATOM 1538 O GLN A 95 -5.871 -15.357 -23.428 1.00 1.53 O ATOM 1539 CB GLN A 95 -3.712 -16.416 -21.087 1.00 2.51 C ATOM 1540 CG GLN A 95 -2.246 -16.675 -20.683 1.00 15.24 C ATOM 1541 CD GLN A 95 -1.296 -16.897 -21.865 1.00 32.24 C ATOM 1542 OE1 GLN A 95 -0.716 -15.954 -22.405 1.00 34.50 O ATOM 1543 NE2 GLN A 95 -1.118 -18.147 -22.268 1.00 52.21 N ATOM 0 H GLN A 95 -3.433 -14.002 -20.328 1.00 75.31 H new ATOM 0 HA GLN A 95 -3.397 -15.318 -22.940 1.00 20.21 H new ATOM 0 HB2 GLN A 95 -4.307 -16.292 -20.182 1.00 2.51 H new ATOM 0 HB3 GLN A 95 -4.094 -17.298 -21.601 1.00 2.51 H new ATOM 0 HG2 GLN A 95 -1.888 -15.828 -20.098 1.00 15.24 H new ATOM 0 HG3 GLN A 95 -2.209 -17.549 -20.033 1.00 15.24 H new ATOM 0 HE21 GLN A 95 -1.612 -18.908 -21.802 1.00 52.21 H new ATOM 0 HE22 GLN A 95 -0.487 -18.348 -23.044 1.00 52.21 H new ATOM 1552 N VAL A 96 -6.209 -14.461 -21.369 1.00 24.24 N ATOM 1553 CA VAL A 96 -7.694 -14.477 -21.426 1.00 64.02 C ATOM 1554 C VAL A 96 -8.271 -13.266 -22.200 1.00 1.42 C ATOM 1555 O VAL A 96 -9.299 -13.388 -22.878 1.00 41.13 O ATOM 1556 CB VAL A 96 -8.337 -14.573 -19.982 1.00 41.01 C ATOM 1557 CG1 VAL A 96 -7.836 -15.835 -19.234 1.00 71.04 C ATOM 1558 CG2 VAL A 96 -8.093 -13.297 -19.136 1.00 15.11 C ATOM 0 H VAL A 96 -5.834 -13.998 -20.541 1.00 24.24 H new ATOM 0 HA VAL A 96 -7.965 -15.376 -21.979 1.00 64.02 H new ATOM 0 HB VAL A 96 -9.414 -14.658 -20.123 1.00 41.01 H new ATOM 0 HG11 VAL A 96 -8.293 -15.877 -18.245 1.00 71.04 H new ATOM 0 HG12 VAL A 96 -8.111 -16.726 -19.799 1.00 71.04 H new ATOM 0 HG13 VAL A 96 -6.752 -15.791 -19.131 1.00 71.04 H new ATOM 0 HG21 VAL A 96 -8.555 -13.416 -18.156 1.00 15.11 H new ATOM 0 HG22 VAL A 96 -7.021 -13.140 -19.015 1.00 15.11 H new ATOM 0 HG23 VAL A 96 -8.531 -12.436 -19.641 1.00 15.11 H new ATOM 1568 N LEU A 97 -7.602 -12.105 -22.099 1.00 61.34 N ATOM 1569 CA LEU A 97 -8.044 -10.855 -22.752 1.00 22.12 C ATOM 1570 C LEU A 97 -7.380 -10.773 -24.143 1.00 70.34 C ATOM 1571 O LEU A 97 -6.149 -10.706 -24.243 1.00 4.01 O ATOM 1572 CB LEU A 97 -7.669 -9.629 -21.848 1.00 50.31 C ATOM 1573 CG LEU A 97 -8.406 -8.255 -22.091 1.00 45.32 C ATOM 1574 CD1 LEU A 97 -8.065 -7.251 -20.961 1.00 5.10 C ATOM 1575 CD2 LEU A 97 -8.097 -7.627 -23.472 1.00 45.00 C ATOM 0 H LEU A 97 -6.740 -12.004 -21.563 1.00 61.34 H new ATOM 0 HA LEU A 97 -9.126 -10.843 -22.883 1.00 22.12 H new ATOM 0 HB2 LEU A 97 -7.842 -9.918 -20.811 1.00 50.31 H new ATOM 0 HB3 LEU A 97 -6.599 -9.454 -21.956 1.00 50.31 H new ATOM 0 HG LEU A 97 -9.473 -8.475 -22.080 1.00 45.32 H new ATOM 0 HD11 LEU A 97 -8.581 -6.309 -21.144 1.00 5.10 H new ATOM 0 HD12 LEU A 97 -8.384 -7.660 -20.002 1.00 5.10 H new ATOM 0 HD13 LEU A 97 -6.989 -7.077 -20.941 1.00 5.10 H new ATOM 0 HD21 LEU A 97 -8.636 -6.685 -23.572 1.00 45.00 H new ATOM 0 HD22 LEU A 97 -7.026 -7.443 -23.557 1.00 45.00 H new ATOM 0 HD23 LEU A 97 -8.411 -8.310 -24.261 1.00 45.00 H new ATOM 1830 N ILE A 429 -16.742 -14.637 -20.115 1.00 61.14 N ATOM 1831 CA ILE A 429 -15.339 -14.207 -20.346 1.00 70.21 C ATOM 1832 C ILE A 429 -15.148 -12.750 -19.869 1.00 34.32 C ATOM 1833 O ILE A 429 -14.114 -12.413 -19.299 1.00 54.23 O ATOM 1834 CB ILE A 429 -14.929 -14.393 -21.870 1.00 41.11 C ATOM 1835 CG1 ILE A 429 -13.434 -13.967 -22.199 1.00 25.52 C ATOM 1836 CG2 ILE A 429 -15.932 -13.685 -22.801 1.00 15.42 C ATOM 1837 CD1 ILE A 429 -13.206 -12.518 -22.642 1.00 51.11 C ATOM 0 HA ILE A 429 -14.673 -14.842 -19.761 1.00 70.21 H new ATOM 0 HB ILE A 429 -14.970 -15.466 -22.058 1.00 41.11 H new ATOM 0 HG12 ILE A 429 -12.827 -14.150 -21.313 1.00 25.52 H new ATOM 0 HG13 ILE A 429 -13.059 -14.624 -22.984 1.00 25.52 H new ATOM 0 HG21 ILE A 429 -15.629 -13.827 -23.838 1.00 15.42 H new ATOM 0 HG22 ILE A 429 -16.926 -14.106 -22.652 1.00 15.42 H new ATOM 0 HG23 ILE A 429 -15.952 -12.620 -22.572 1.00 15.42 H new ATOM 0 HD11 ILE A 429 -12.145 -12.359 -22.835 1.00 51.11 H new ATOM 0 HD12 ILE A 429 -13.773 -12.322 -23.552 1.00 51.11 H new ATOM 0 HD13 ILE A 429 -13.537 -11.841 -21.855 1.00 51.11 H new ATOM 1849 N ASP A 430 -16.198 -11.924 -20.063 1.00 44.15 N ATOM 1850 CA ASP A 430 -16.263 -10.541 -19.569 1.00 62.15 C ATOM 1851 C ASP A 430 -15.982 -10.477 -18.056 1.00 13.53 C ATOM 1852 O ASP A 430 -15.150 -9.688 -17.603 1.00 51.22 O ATOM 1853 CB ASP A 430 -17.666 -9.957 -19.869 1.00 44.05 C ATOM 1854 CG ASP A 430 -17.871 -8.545 -19.300 1.00 41.33 C ATOM 1855 OD1 ASP A 430 -17.315 -7.581 -19.867 1.00 44.03 O ATOM 1856 OD2 ASP A 430 -18.578 -8.388 -18.278 1.00 32.31 O ATOM 0 H ASP A 430 -17.034 -12.207 -20.575 1.00 44.15 H new ATOM 0 HA ASP A 430 -15.499 -9.953 -20.078 1.00 62.15 H new ATOM 0 HB2 ASP A 430 -17.818 -9.932 -20.948 1.00 44.05 H new ATOM 0 HB3 ASP A 430 -18.425 -10.622 -19.455 1.00 44.05 H new ATOM 1861 N GLU A 431 -16.656 -11.367 -17.310 1.00 50.41 N ATOM 1862 CA GLU A 431 -16.642 -11.376 -15.844 1.00 14.41 C ATOM 1863 C GLU A 431 -15.277 -11.818 -15.296 1.00 53.12 C ATOM 1864 O GLU A 431 -14.744 -11.158 -14.407 1.00 73.41 O ATOM 1865 CB GLU A 431 -17.772 -12.289 -15.300 1.00 64.41 C ATOM 1866 CG GLU A 431 -19.175 -11.908 -15.809 1.00 3.50 C ATOM 1867 CD GLU A 431 -20.288 -12.739 -15.160 1.00 70.24 C ATOM 1868 OE1 GLU A 431 -20.658 -13.794 -15.710 1.00 11.11 O ATOM 1869 OE2 GLU A 431 -20.785 -12.342 -14.084 1.00 11.34 O ATOM 0 H GLU A 431 -17.231 -12.106 -17.715 1.00 50.41 H new ATOM 0 HA GLU A 431 -16.819 -10.356 -15.501 1.00 14.41 H new ATOM 0 HB2 GLU A 431 -17.561 -13.321 -15.582 1.00 64.41 H new ATOM 0 HB3 GLU A 431 -17.767 -12.249 -14.211 1.00 64.41 H new ATOM 0 HG2 GLU A 431 -19.354 -10.851 -15.611 1.00 3.50 H new ATOM 0 HG3 GLU A 431 -19.213 -12.040 -16.890 1.00 3.50 H new ATOM 1876 N THR A 432 -14.708 -12.922 -15.835 1.00 34.01 N ATOM 1877 CA THR A 432 -13.404 -13.444 -15.357 1.00 12.41 C ATOM 1878 C THR A 432 -12.253 -12.458 -15.669 1.00 72.14 C ATOM 1879 O THR A 432 -11.373 -12.243 -14.822 1.00 51.13 O ATOM 1880 CB THR A 432 -13.080 -14.872 -15.919 1.00 53.54 C ATOM 1881 OG1 THR A 432 -11.876 -15.381 -15.322 1.00 74.25 O ATOM 1882 CG2 THR A 432 -12.936 -14.885 -17.447 1.00 32.33 C ATOM 0 H THR A 432 -15.125 -13.464 -16.592 1.00 34.01 H new ATOM 0 HA THR A 432 -13.492 -13.540 -14.275 1.00 12.41 H new ATOM 0 HB THR A 432 -13.925 -15.510 -15.661 1.00 53.54 H new ATOM 0 HG1 THR A 432 -11.685 -16.273 -15.680 1.00 74.25 H new ATOM 0 HG21 THR A 432 -12.712 -15.898 -17.783 1.00 32.33 H new ATOM 0 HG22 THR A 432 -13.867 -14.549 -17.903 1.00 32.33 H new ATOM 0 HG23 THR A 432 -12.126 -14.218 -17.742 1.00 32.33 H new ATOM 1890 N VAL A 433 -12.291 -11.832 -16.871 1.00 32.41 N ATOM 1891 CA VAL A 433 -11.343 -10.766 -17.247 1.00 3.40 C ATOM 1892 C VAL A 433 -11.496 -9.574 -16.291 1.00 44.32 C ATOM 1893 O VAL A 433 -10.506 -9.003 -15.861 1.00 73.11 O ATOM 1894 CB VAL A 433 -11.539 -10.298 -18.745 1.00 32.25 C ATOM 1895 CG1 VAL A 433 -10.696 -9.042 -19.082 1.00 63.33 C ATOM 1896 CG2 VAL A 433 -11.207 -11.446 -19.726 1.00 10.04 C ATOM 0 H VAL A 433 -12.973 -12.052 -17.596 1.00 32.41 H new ATOM 0 HA VAL A 433 -10.335 -11.173 -17.166 1.00 3.40 H new ATOM 0 HB VAL A 433 -12.589 -10.027 -18.858 1.00 32.25 H new ATOM 0 HG11 VAL A 433 -10.864 -8.759 -20.121 1.00 63.33 H new ATOM 0 HG12 VAL A 433 -10.991 -8.220 -18.430 1.00 63.33 H new ATOM 0 HG13 VAL A 433 -9.639 -9.262 -18.932 1.00 63.33 H new ATOM 0 HG21 VAL A 433 -11.349 -11.102 -20.750 1.00 10.04 H new ATOM 0 HG22 VAL A 433 -10.171 -11.755 -19.587 1.00 10.04 H new ATOM 0 HG23 VAL A 433 -11.867 -12.292 -19.533 1.00 10.04 H new ATOM 1906 N ALA A 434 -12.755 -9.252 -15.941 1.00 14.32 N ATOM 1907 CA ALA A 434 -13.084 -8.159 -15.012 1.00 13.31 C ATOM 1908 C ALA A 434 -12.574 -8.442 -13.588 1.00 52.35 C ATOM 1909 O ALA A 434 -12.253 -7.507 -12.863 1.00 71.51 O ATOM 1910 CB ALA A 434 -14.598 -7.907 -15.000 1.00 14.21 C ATOM 0 H ALA A 434 -13.574 -9.745 -16.297 1.00 14.32 H new ATOM 0 HA ALA A 434 -12.576 -7.262 -15.367 1.00 13.31 H new ATOM 0 HB1 ALA A 434 -14.826 -7.096 -14.308 1.00 14.21 H new ATOM 0 HB2 ALA A 434 -14.929 -7.634 -16.002 1.00 14.21 H new ATOM 0 HB3 ALA A 434 -15.115 -8.812 -14.681 1.00 14.21 H new ATOM 1916 N ARG A 435 -12.516 -9.736 -13.193 1.00 12.11 N ATOM 1917 CA ARG A 435 -11.998 -10.149 -11.866 1.00 43.14 C ATOM 1918 C ARG A 435 -10.488 -9.892 -11.792 1.00 61.41 C ATOM 1919 O ARG A 435 -9.990 -9.287 -10.834 1.00 53.54 O ATOM 1920 CB ARG A 435 -12.263 -11.658 -11.582 1.00 34.12 C ATOM 1921 CG ARG A 435 -13.742 -12.097 -11.599 1.00 4.53 C ATOM 1922 CD ARG A 435 -14.644 -11.284 -10.654 1.00 11.14 C ATOM 1923 NE ARG A 435 -16.034 -11.781 -10.673 1.00 42.45 N ATOM 1924 CZ ARG A 435 -17.086 -11.169 -11.240 1.00 34.00 C ATOM 1925 NH1 ARG A 435 -16.952 -9.999 -11.863 1.00 42.43 N ATOM 1926 NH2 ARG A 435 -18.281 -11.741 -11.179 1.00 43.22 N ATOM 0 H ARG A 435 -12.823 -10.514 -13.776 1.00 12.11 H new ATOM 0 HA ARG A 435 -12.524 -9.559 -11.116 1.00 43.14 H new ATOM 0 HB2 ARG A 435 -11.721 -12.248 -12.321 1.00 34.12 H new ATOM 0 HB3 ARG A 435 -11.842 -11.904 -10.607 1.00 34.12 H new ATOM 0 HG2 ARG A 435 -14.125 -12.010 -12.616 1.00 4.53 H new ATOM 0 HG3 ARG A 435 -13.801 -13.150 -11.325 1.00 4.53 H new ATOM 0 HD2 ARG A 435 -14.251 -11.338 -9.639 1.00 11.14 H new ATOM 0 HD3 ARG A 435 -14.628 -10.234 -10.947 1.00 11.14 H new ATOM 0 HE ARG A 435 -16.212 -12.673 -10.212 1.00 42.45 H new ATOM 0 HH11 ARG A 435 -16.037 -9.551 -11.916 1.00 42.43 H new ATOM 0 HH12 ARG A 435 -17.764 -9.551 -12.287 1.00 42.43 H new ATOM 0 HH21 ARG A 435 -18.394 -12.637 -10.705 1.00 43.22 H new ATOM 0 HH22 ARG A 435 -19.087 -11.285 -11.606 1.00 43.22 H new ATOM 1940 N TYR A 436 -9.773 -10.378 -12.825 1.00 2.44 N ATOM 1941 CA TYR A 436 -8.314 -10.240 -12.928 1.00 13.35 C ATOM 1942 C TYR A 436 -7.915 -8.769 -13.119 1.00 22.02 C ATOM 1943 O TYR A 436 -6.906 -8.329 -12.581 1.00 62.12 O ATOM 1944 CB TYR A 436 -7.758 -11.112 -14.087 1.00 10.31 C ATOM 1945 CG TYR A 436 -7.988 -12.624 -13.909 1.00 3.44 C ATOM 1946 CD1 TYR A 436 -7.739 -13.246 -12.683 1.00 12.53 C ATOM 1947 CD2 TYR A 436 -8.437 -13.430 -14.962 1.00 43.41 C ATOM 1948 CE1 TYR A 436 -7.934 -14.600 -12.508 1.00 50.55 C ATOM 1949 CE2 TYR A 436 -8.632 -14.789 -14.788 1.00 45.34 C ATOM 1950 CZ TYR A 436 -8.379 -15.367 -13.561 1.00 71.43 C ATOM 1951 OH TYR A 436 -8.578 -16.722 -13.384 1.00 53.22 O ATOM 0 H TYR A 436 -10.194 -10.876 -13.609 1.00 2.44 H new ATOM 0 HA TYR A 436 -7.876 -10.593 -11.994 1.00 13.35 H new ATOM 0 HB2 TYR A 436 -8.222 -10.793 -15.021 1.00 10.31 H new ATOM 0 HB3 TYR A 436 -6.688 -10.928 -14.183 1.00 10.31 H new ATOM 0 HD1 TYR A 436 -7.385 -12.653 -11.853 1.00 12.53 H new ATOM 0 HD2 TYR A 436 -8.634 -12.984 -15.926 1.00 43.41 H new ATOM 0 HE1 TYR A 436 -7.738 -15.057 -11.549 1.00 50.55 H new ATOM 0 HE2 TYR A 436 -8.981 -15.396 -15.611 1.00 45.34 H new ATOM 0 HH TYR A 436 -8.894 -17.119 -14.223 1.00 53.22 H new ATOM 1961 N LYS A 437 -8.749 -8.025 -13.867 1.00 3.32 N ATOM 1962 CA LYS A 437 -8.538 -6.595 -14.155 1.00 1.03 C ATOM 1963 C LYS A 437 -8.767 -5.759 -12.896 1.00 75.11 C ATOM 1964 O LYS A 437 -8.017 -4.825 -12.632 1.00 14.11 O ATOM 1965 CB LYS A 437 -9.474 -6.127 -15.309 1.00 32.32 C ATOM 1966 CG LYS A 437 -9.385 -4.623 -15.673 1.00 2.34 C ATOM 1967 CD LYS A 437 -10.177 -4.286 -16.961 1.00 41.43 C ATOM 1968 CE LYS A 437 -10.138 -2.791 -17.314 1.00 12.31 C ATOM 1969 NZ LYS A 437 -8.744 -2.274 -17.404 1.00 23.04 N ATOM 0 H LYS A 437 -9.596 -8.403 -14.292 1.00 3.32 H new ATOM 0 HA LYS A 437 -7.506 -6.453 -14.476 1.00 1.03 H new ATOM 0 HB2 LYS A 437 -9.245 -6.712 -16.199 1.00 32.32 H new ATOM 0 HB3 LYS A 437 -10.504 -6.356 -15.034 1.00 32.32 H new ATOM 0 HG2 LYS A 437 -9.770 -4.027 -14.845 1.00 2.34 H new ATOM 0 HG3 LYS A 437 -8.340 -4.345 -15.808 1.00 2.34 H new ATOM 0 HD2 LYS A 437 -9.770 -4.861 -17.793 1.00 41.43 H new ATOM 0 HD3 LYS A 437 -11.214 -4.597 -16.836 1.00 41.43 H new ATOM 0 HE2 LYS A 437 -10.646 -2.630 -18.265 1.00 12.31 H new ATOM 0 HE3 LYS A 437 -10.686 -2.226 -16.560 1.00 12.31 H new ATOM 0 HZ1 LYS A 437 -8.757 -1.302 -17.775 1.00 23.04 H new ATOM 0 HZ2 LYS A 437 -8.311 -2.278 -16.459 1.00 23.04 H new ATOM 0 HZ3 LYS A 437 -8.189 -2.880 -18.042 1.00 23.04 H new ATOM 1983 N ALA A 438 -9.801 -6.123 -12.115 1.00 62.12 N ATOM 1984 CA ALA A 438 -10.122 -5.436 -10.856 1.00 34.32 C ATOM 1985 C ALA A 438 -8.975 -5.592 -9.859 1.00 4.04 C ATOM 1986 O ALA A 438 -8.379 -4.603 -9.438 1.00 64.02 O ATOM 1987 CB ALA A 438 -11.438 -5.953 -10.268 1.00 41.54 C ATOM 0 H ALA A 438 -10.430 -6.894 -12.338 1.00 62.12 H new ATOM 0 HA ALA A 438 -10.251 -4.374 -11.067 1.00 34.32 H new ATOM 0 HB1 ALA A 438 -11.652 -5.428 -9.337 1.00 41.54 H new ATOM 0 HB2 ALA A 438 -12.247 -5.778 -10.977 1.00 41.54 H new ATOM 0 HB3 ALA A 438 -11.353 -7.022 -10.071 1.00 41.54 H new ATOM 1993 N GLN A 439 -8.633 -6.850 -9.540 1.00 44.10 N ATOM 1994 CA GLN A 439 -7.563 -7.177 -8.583 1.00 52.25 C ATOM 1995 C GLN A 439 -6.205 -6.603 -9.026 1.00 22.34 C ATOM 1996 O GLN A 439 -5.417 -6.144 -8.187 1.00 64.33 O ATOM 1997 CB GLN A 439 -7.480 -8.710 -8.397 1.00 65.42 C ATOM 1998 CG GLN A 439 -8.721 -9.331 -7.737 1.00 10.34 C ATOM 1999 CD GLN A 439 -8.980 -8.792 -6.333 1.00 74.31 C ATOM 2000 OE1 GLN A 439 -8.471 -9.318 -5.356 1.00 11.11 O ATOM 2001 NE2 GLN A 439 -9.795 -7.763 -6.219 1.00 21.23 N ATOM 0 H GLN A 439 -9.090 -7.670 -9.938 1.00 44.10 H new ATOM 0 HA GLN A 439 -7.807 -6.714 -7.627 1.00 52.25 H new ATOM 0 HB2 GLN A 439 -7.329 -9.176 -9.371 1.00 65.42 H new ATOM 0 HB3 GLN A 439 -6.604 -8.945 -7.792 1.00 65.42 H new ATOM 0 HG2 GLN A 439 -9.593 -9.138 -8.361 1.00 10.34 H new ATOM 0 HG3 GLN A 439 -8.597 -10.413 -7.688 1.00 10.34 H new ATOM 0 HE21 GLN A 439 -10.206 -7.343 -7.053 1.00 21.23 H new ATOM 0 HE22 GLN A 439 -10.015 -7.386 -5.297 1.00 21.23 H new ATOM 2010 N PHE A 440 -5.958 -6.601 -10.352 1.00 14.42 N ATOM 2011 CA PHE A 440 -4.725 -6.041 -10.915 1.00 52.01 C ATOM 2012 C PHE A 440 -4.673 -4.525 -10.659 1.00 54.30 C ATOM 2013 O PHE A 440 -3.852 -4.080 -9.876 1.00 63.33 O ATOM 2014 CB PHE A 440 -4.600 -6.340 -12.429 1.00 21.55 C ATOM 2015 CG PHE A 440 -3.284 -5.872 -13.036 1.00 4.31 C ATOM 2016 CD1 PHE A 440 -2.096 -6.532 -12.730 1.00 20.00 C ATOM 2017 CD2 PHE A 440 -3.225 -4.763 -13.885 1.00 1.14 C ATOM 2018 CE1 PHE A 440 -0.896 -6.104 -13.253 1.00 63.13 C ATOM 2019 CE2 PHE A 440 -2.021 -4.340 -14.411 1.00 60.33 C ATOM 2020 CZ PHE A 440 -0.857 -5.008 -14.090 1.00 52.45 C ATOM 0 H PHE A 440 -6.599 -6.982 -11.048 1.00 14.42 H new ATOM 0 HA PHE A 440 -3.881 -6.518 -10.418 1.00 52.01 H new ATOM 0 HB2 PHE A 440 -4.703 -7.413 -12.589 1.00 21.55 H new ATOM 0 HB3 PHE A 440 -5.425 -5.859 -12.955 1.00 21.55 H new ATOM 0 HD1 PHE A 440 -2.116 -7.390 -12.074 1.00 20.00 H new ATOM 0 HD2 PHE A 440 -4.132 -4.231 -14.132 1.00 1.14 H new ATOM 0 HE1 PHE A 440 0.016 -6.627 -13.007 1.00 63.13 H new ATOM 0 HE2 PHE A 440 -1.990 -3.487 -15.073 1.00 60.33 H new ATOM 0 HZ PHE A 440 0.086 -4.672 -14.495 1.00 52.45 H new ATOM 2030 N THR A 441 -5.632 -3.775 -11.250 1.00 55.25 N ATOM 2031 CA THR A 441 -5.669 -2.293 -11.218 1.00 63.12 C ATOM 2032 C THR A 441 -5.648 -1.739 -9.776 1.00 32.41 C ATOM 2033 O THR A 441 -4.959 -0.758 -9.491 1.00 4.40 O ATOM 2034 CB THR A 441 -6.949 -1.770 -11.957 1.00 2.24 C ATOM 2035 OG1 THR A 441 -7.009 -2.343 -13.271 1.00 23.24 O ATOM 2036 CG2 THR A 441 -6.991 -0.232 -12.080 1.00 31.14 C ATOM 0 H THR A 441 -6.409 -4.185 -11.768 1.00 55.25 H new ATOM 0 HA THR A 441 -4.772 -1.939 -11.726 1.00 63.12 H new ATOM 0 HB THR A 441 -7.806 -2.072 -11.356 1.00 2.24 H new ATOM 0 HG1 THR A 441 -7.387 -3.245 -13.217 1.00 23.24 H new ATOM 0 HG21 THR A 441 -7.901 0.067 -12.601 1.00 31.14 H new ATOM 0 HG22 THR A 441 -6.979 0.213 -11.085 1.00 31.14 H new ATOM 0 HG23 THR A 441 -6.122 0.112 -12.641 1.00 31.14 H new ATOM 2044 N GLN A 442 -6.392 -2.411 -8.886 1.00 44.24 N ATOM 2045 CA GLN A 442 -6.534 -2.014 -7.476 1.00 31.12 C ATOM 2046 C GLN A 442 -5.213 -2.183 -6.701 1.00 0.12 C ATOM 2047 O GLN A 442 -4.729 -1.230 -6.083 1.00 32.53 O ATOM 2048 CB GLN A 442 -7.681 -2.820 -6.821 1.00 4.10 C ATOM 2049 CG GLN A 442 -9.096 -2.441 -7.326 1.00 22.34 C ATOM 2050 CD GLN A 442 -10.215 -3.379 -6.839 1.00 71.04 C ATOM 2051 OE1 GLN A 442 -9.927 -4.676 -6.717 1.00 23.32 O flip ATOM 2052 NE2 GLN A 442 -11.348 -2.950 -6.619 1.00 64.51 N flip ATOM 0 H GLN A 442 -6.917 -3.252 -9.125 1.00 44.24 H new ATOM 0 HA GLN A 442 -6.784 -0.954 -7.439 1.00 31.12 H new ATOM 0 HB2 GLN A 442 -7.515 -3.881 -7.005 1.00 4.10 H new ATOM 0 HB3 GLN A 442 -7.642 -2.674 -5.742 1.00 4.10 H new ATOM 0 HG2 GLN A 442 -9.324 -1.425 -7.004 1.00 22.34 H new ATOM 0 HG3 GLN A 442 -9.091 -2.436 -8.416 1.00 22.34 H new ATOM 0 HE21 GLN A 442 -11.545 -1.954 -6.719 1.00 64.51 H new ATOM 0 HE22 GLN A 442 -12.090 -3.591 -6.337 1.00 64.51 H new ATOM 2061 N LEU A 443 -4.617 -3.391 -6.767 1.00 11.43 N ATOM 2062 CA LEU A 443 -3.342 -3.694 -6.067 1.00 45.23 C ATOM 2063 C LEU A 443 -2.136 -3.015 -6.770 1.00 44.21 C ATOM 2064 O LEU A 443 -1.078 -2.833 -6.154 1.00 71.31 O ATOM 2065 CB LEU A 443 -3.120 -5.239 -5.946 1.00 30.41 C ATOM 2066 CG LEU A 443 -3.936 -6.020 -4.848 1.00 32.22 C ATOM 2067 CD1 LEU A 443 -5.465 -5.858 -4.991 1.00 24.44 C ATOM 2068 CD2 LEU A 443 -3.547 -7.519 -4.850 1.00 62.13 C ATOM 0 H LEU A 443 -4.995 -4.176 -7.297 1.00 11.43 H new ATOM 0 HA LEU A 443 -3.414 -3.283 -5.060 1.00 45.23 H new ATOM 0 HB2 LEU A 443 -3.349 -5.686 -6.913 1.00 30.41 H new ATOM 0 HB3 LEU A 443 -2.060 -5.410 -5.759 1.00 30.41 H new ATOM 0 HG LEU A 443 -3.668 -5.575 -3.890 1.00 32.22 H new ATOM 0 HD11 LEU A 443 -5.966 -6.421 -4.204 1.00 24.44 H new ATOM 0 HD12 LEU A 443 -5.729 -4.804 -4.907 1.00 24.44 H new ATOM 0 HD13 LEU A 443 -5.781 -6.235 -5.964 1.00 24.44 H new ATOM 0 HD21 LEU A 443 -4.120 -8.045 -4.086 1.00 62.13 H new ATOM 0 HD22 LEU A 443 -3.765 -7.950 -5.827 1.00 62.13 H new ATOM 0 HD23 LEU A 443 -2.482 -7.619 -4.638 1.00 62.13 H new ATOM 2080 N ASP A 444 -2.317 -2.639 -8.053 1.00 43.32 N ATOM 2081 CA ASP A 444 -1.266 -2.017 -8.892 1.00 75.41 C ATOM 2082 C ASP A 444 -1.150 -0.520 -8.594 1.00 4.41 C ATOM 2083 O ASP A 444 -0.039 0.004 -8.456 1.00 0.02 O ATOM 2084 CB ASP A 444 -1.570 -2.245 -10.398 1.00 2.15 C ATOM 2085 CG ASP A 444 -0.494 -1.689 -11.346 1.00 71.32 C ATOM 2086 OD1 ASP A 444 -0.684 -0.589 -11.914 1.00 75.22 O ATOM 2087 OD2 ASP A 444 0.553 -2.349 -11.521 1.00 52.33 O ATOM 0 H ASP A 444 -3.204 -2.759 -8.542 1.00 43.32 H new ATOM 0 HA ASP A 444 -0.313 -2.490 -8.652 1.00 75.41 H new ATOM 0 HB2 ASP A 444 -1.680 -3.314 -10.578 1.00 2.15 H new ATOM 0 HB3 ASP A 444 -2.526 -1.781 -10.639 1.00 2.15 H new ATOM 2092 N THR A 445 -2.309 0.170 -8.494 1.00 4.21 N ATOM 2093 CA THR A 445 -2.340 1.594 -8.117 1.00 23.42 C ATOM 2094 C THR A 445 -1.958 1.745 -6.637 1.00 72.45 C ATOM 2095 O THR A 445 -1.340 2.748 -6.244 1.00 60.14 O ATOM 2096 CB THR A 445 -3.719 2.287 -8.411 1.00 22.23 C ATOM 2097 OG1 THR A 445 -3.595 3.718 -8.255 1.00 64.51 O ATOM 2098 CG2 THR A 445 -4.865 1.787 -7.507 1.00 11.43 C ATOM 0 H THR A 445 -3.228 -0.237 -8.669 1.00 4.21 H new ATOM 0 HA THR A 445 -1.610 2.107 -8.742 1.00 23.42 H new ATOM 0 HB THR A 445 -3.976 2.025 -9.437 1.00 22.23 H new ATOM 0 HG1 THR A 445 -4.458 4.143 -8.441 1.00 64.51 H new ATOM 0 HG21 THR A 445 -5.787 2.309 -7.766 1.00 11.43 H new ATOM 0 HG22 THR A 445 -5.002 0.715 -7.652 1.00 11.43 H new ATOM 0 HG23 THR A 445 -4.618 1.983 -6.464 1.00 11.43 H new ATOM 2106 N MET A 446 -2.313 0.715 -5.828 1.00 54.11 N ATOM 2107 CA MET A 446 -1.878 0.623 -4.436 1.00 31.34 C ATOM 2108 C MET A 446 -0.353 0.513 -4.387 1.00 12.42 C ATOM 2109 O MET A 446 0.273 1.172 -3.572 1.00 53.25 O ATOM 2110 CB MET A 446 -2.516 -0.591 -3.696 1.00 2.22 C ATOM 2111 CG MET A 446 -2.198 -0.620 -2.192 1.00 55.13 C ATOM 2112 SD MET A 446 -2.903 -2.037 -1.324 1.00 72.23 S ATOM 2113 CE MET A 446 -2.428 -1.667 0.370 1.00 1.45 C ATOM 0 H MET A 446 -2.903 -0.061 -6.130 1.00 54.11 H new ATOM 0 HA MET A 446 -2.210 1.527 -3.925 1.00 31.34 H new ATOM 0 HB2 MET A 446 -3.597 -0.563 -3.832 1.00 2.22 H new ATOM 0 HB3 MET A 446 -2.161 -1.514 -4.154 1.00 2.22 H new ATOM 0 HG2 MET A 446 -1.116 -0.626 -2.059 1.00 55.13 H new ATOM 0 HG3 MET A 446 -2.570 0.296 -1.734 1.00 55.13 H new ATOM 0 HE1 MET A 446 -3.076 -2.211 1.057 1.00 1.45 H new ATOM 0 HE2 MET A 446 -1.393 -1.969 0.532 1.00 1.45 H new ATOM 0 HE3 MET A 446 -2.526 -0.596 0.550 1.00 1.45 H new ATOM 2123 N MET A 447 0.222 -0.303 -5.307 1.00 44.41 N ATOM 2124 CA MET A 447 1.673 -0.554 -5.372 1.00 54.52 C ATOM 2125 C MET A 447 2.466 0.699 -5.755 1.00 75.13 C ATOM 2126 O MET A 447 3.481 0.994 -5.124 1.00 74.45 O ATOM 2127 CB MET A 447 2.021 -1.723 -6.327 1.00 13.42 C ATOM 2128 CG MET A 447 3.538 -1.964 -6.509 1.00 4.12 C ATOM 2129 SD MET A 447 3.924 -3.627 -7.075 1.00 73.32 S ATOM 2130 CE MET A 447 3.429 -4.572 -5.635 1.00 74.15 C ATOM 0 H MET A 447 -0.311 -0.801 -6.020 1.00 44.41 H new ATOM 0 HA MET A 447 1.970 -0.841 -4.363 1.00 54.52 H new ATOM 0 HB2 MET A 447 1.563 -2.636 -5.947 1.00 13.42 H new ATOM 0 HB3 MET A 447 1.577 -1.525 -7.302 1.00 13.42 H new ATOM 0 HG2 MET A 447 3.931 -1.242 -7.225 1.00 4.12 H new ATOM 0 HG3 MET A 447 4.045 -1.782 -5.562 1.00 4.12 H new ATOM 0 HE1 MET A 447 4.087 -5.434 -5.522 1.00 74.15 H new ATOM 0 HE2 MET A 447 3.497 -3.944 -4.747 1.00 74.15 H new ATOM 0 HE3 MET A 447 2.401 -4.914 -5.760 1.00 74.15 H new ATOM 2140 N SER A 448 1.999 1.427 -6.783 1.00 2.23 N ATOM 2141 CA SER A 448 2.672 2.648 -7.266 1.00 71.04 C ATOM 2142 C SER A 448 2.721 3.716 -6.156 1.00 54.42 C ATOM 2143 O SER A 448 3.773 4.344 -5.909 1.00 43.33 O ATOM 2144 CB SER A 448 1.967 3.176 -8.533 1.00 14.44 C ATOM 2145 OG SER A 448 0.573 3.332 -8.325 1.00 44.14 O ATOM 0 H SER A 448 1.152 1.190 -7.300 1.00 2.23 H new ATOM 0 HA SER A 448 3.701 2.405 -7.531 1.00 71.04 H new ATOM 0 HB2 SER A 448 2.402 4.133 -8.821 1.00 14.44 H new ATOM 0 HB3 SER A 448 2.138 2.487 -9.360 1.00 14.44 H new ATOM 0 HG SER A 448 0.333 2.981 -7.442 1.00 44.14 H new ATOM 2151 N LYS A 449 1.582 3.869 -5.453 1.00 23.41 N ATOM 2152 CA LYS A 449 1.485 4.781 -4.311 1.00 53.53 C ATOM 2153 C LYS A 449 2.332 4.293 -3.126 1.00 74.43 C ATOM 2154 O LYS A 449 3.058 5.090 -2.544 1.00 1.42 O ATOM 2155 CB LYS A 449 0.013 4.987 -3.885 1.00 14.41 C ATOM 2156 CG LYS A 449 -0.848 5.723 -4.936 1.00 54.40 C ATOM 2157 CD LYS A 449 -2.284 6.000 -4.435 1.00 24.45 C ATOM 2158 CE LYS A 449 -2.331 6.959 -3.229 1.00 61.11 C ATOM 2159 NZ LYS A 449 -3.716 7.136 -2.712 1.00 14.51 N ATOM 0 H LYS A 449 0.718 3.369 -5.662 1.00 23.41 H new ATOM 0 HA LYS A 449 1.884 5.744 -4.630 1.00 53.53 H new ATOM 0 HB2 LYS A 449 -0.435 4.015 -3.680 1.00 14.41 H new ATOM 0 HB3 LYS A 449 -0.009 5.551 -2.953 1.00 14.41 H new ATOM 0 HG2 LYS A 449 -0.369 6.667 -5.197 1.00 54.40 H new ATOM 0 HG3 LYS A 449 -0.893 5.126 -5.847 1.00 54.40 H new ATOM 0 HD2 LYS A 449 -2.871 6.423 -5.250 1.00 24.45 H new ATOM 0 HD3 LYS A 449 -2.754 5.056 -4.159 1.00 24.45 H new ATOM 0 HE2 LYS A 449 -1.693 6.573 -2.434 1.00 61.11 H new ATOM 0 HE3 LYS A 449 -1.926 7.928 -3.520 1.00 61.11 H new ATOM 0 HZ1 LYS A 449 -3.701 7.775 -1.891 1.00 14.51 H new ATOM 0 HZ2 LYS A 449 -4.315 7.544 -3.458 1.00 14.51 H new ATOM 0 HZ3 LYS A 449 -4.100 6.213 -2.426 1.00 14.51 H new ATOM 2173 N LEU A 450 2.274 2.973 -2.807 1.00 33.10 N ATOM 2174 CA LEU A 450 2.969 2.415 -1.621 1.00 52.31 C ATOM 2175 C LEU A 450 4.486 2.346 -1.849 1.00 21.15 C ATOM 2176 O LEU A 450 5.255 2.229 -0.896 1.00 23.34 O ATOM 2177 CB LEU A 450 2.362 1.042 -1.132 1.00 11.45 C ATOM 2178 CG LEU A 450 2.625 -0.296 -1.933 1.00 42.33 C ATOM 2179 CD1 LEU A 450 4.047 -0.889 -1.740 1.00 30.33 C ATOM 2180 CD2 LEU A 450 1.562 -1.364 -1.580 1.00 45.03 C ATOM 0 H LEU A 450 1.757 2.282 -3.351 1.00 33.10 H new ATOM 0 HA LEU A 450 2.795 3.109 -0.799 1.00 52.31 H new ATOM 0 HB2 LEU A 450 2.718 0.880 -0.114 1.00 11.45 H new ATOM 0 HB3 LEU A 450 1.281 1.173 -1.075 1.00 11.45 H new ATOM 0 HG LEU A 450 2.548 -0.019 -2.985 1.00 42.33 H new ATOM 0 HD11 LEU A 450 4.142 -1.805 -2.324 1.00 30.33 H new ATOM 0 HD12 LEU A 450 4.791 -0.166 -2.075 1.00 30.33 H new ATOM 0 HD13 LEU A 450 4.208 -1.113 -0.685 1.00 30.33 H new ATOM 0 HD21 LEU A 450 1.762 -2.276 -2.142 1.00 45.03 H new ATOM 0 HD22 LEU A 450 1.603 -1.579 -0.512 1.00 45.03 H new ATOM 0 HD23 LEU A 450 0.571 -0.990 -1.837 1.00 45.03 H new ATOM 2192 N ASN A 451 4.905 2.404 -3.120 1.00 0.23 N ATOM 2193 CA ASN A 451 6.326 2.466 -3.493 1.00 4.52 C ATOM 2194 C ASN A 451 6.868 3.880 -3.244 1.00 63.54 C ATOM 2195 O ASN A 451 7.936 4.047 -2.642 1.00 22.54 O ATOM 2196 CB ASN A 451 6.532 2.060 -4.976 1.00 55.11 C ATOM 2197 CG ASN A 451 8.008 1.992 -5.391 1.00 54.22 C ATOM 2198 OD1 ASN A 451 8.888 1.678 -4.587 1.00 72.32 O ATOM 2199 ND2 ASN A 451 8.290 2.294 -6.637 1.00 0.20 N ATOM 0 H ASN A 451 4.270 2.409 -3.918 1.00 0.23 H new ATOM 0 HA ASN A 451 6.877 1.758 -2.874 1.00 4.52 H new ATOM 0 HB2 ASN A 451 6.069 1.088 -5.146 1.00 55.11 H new ATOM 0 HB3 ASN A 451 6.015 2.775 -5.616 1.00 55.11 H new ATOM 0 HD21 ASN A 451 9.257 2.272 -6.961 1.00 0.20 H new ATOM 0 HD22 ASN A 451 7.542 2.550 -7.281 1.00 0.20 H new ATOM 2206 N ASN A 452 6.108 4.892 -3.718 1.00 33.35 N ATOM 2207 CA ASN A 452 6.454 6.314 -3.525 1.00 0.34 C ATOM 2208 C ASN A 452 6.405 6.695 -2.027 1.00 72.15 C ATOM 2209 O ASN A 452 7.257 7.470 -1.544 1.00 60.32 O ATOM 2210 CB ASN A 452 5.518 7.223 -4.370 1.00 70.54 C ATOM 2211 CG ASN A 452 5.893 8.715 -4.290 1.00 53.44 C ATOM 2212 OD1 ASN A 452 6.779 9.182 -5.004 1.00 41.03 O ATOM 2213 ND2 ASN A 452 5.215 9.476 -3.444 1.00 23.22 N ATOM 0 H ASN A 452 5.244 4.746 -4.241 1.00 33.35 H new ATOM 0 HA ASN A 452 7.476 6.470 -3.871 1.00 0.34 H new ATOM 0 HB2 ASN A 452 5.551 6.901 -5.411 1.00 70.54 H new ATOM 0 HB3 ASN A 452 4.491 7.094 -4.029 1.00 70.54 H new ATOM 0 HD21 ASN A 452 5.423 10.472 -3.375 1.00 23.22 H new ATOM 0 HD22 ASN A 452 4.485 9.066 -2.862 1.00 23.22 H new ATOM 2220 N THR A 453 5.427 6.117 -1.286 1.00 71.13 N ATOM 2221 CA THR A 453 5.301 6.346 0.156 1.00 73.41 C ATOM 2222 C THR A 453 6.532 5.776 0.871 1.00 70.44 C ATOM 2223 O THR A 453 7.294 6.550 1.436 1.00 54.42 O ATOM 2224 CB THR A 453 3.992 5.759 0.789 1.00 63.02 C ATOM 2225 OG1 THR A 453 3.910 4.385 0.498 1.00 30.34 O ATOM 2226 CG2 THR A 453 2.712 6.459 0.290 1.00 32.31 C ATOM 0 H THR A 453 4.720 5.491 -1.672 1.00 71.13 H new ATOM 0 HA THR A 453 5.236 7.426 0.292 1.00 73.41 H new ATOM 0 HB THR A 453 4.054 5.930 1.864 1.00 63.02 H new ATOM 0 HG1 THR A 453 3.408 3.930 1.206 1.00 30.34 H new ATOM 0 HG21 THR A 453 1.841 6.007 0.765 1.00 32.31 H new ATOM 0 HG22 THR A 453 2.754 7.518 0.543 1.00 32.31 H new ATOM 0 HG23 THR A 453 2.634 6.347 -0.791 1.00 32.31 H new ATOM 2234 N SER A 454 6.754 4.434 0.768 1.00 21.11 N ATOM 2235 CA SER A 454 7.894 3.733 1.421 1.00 32.03 C ATOM 2236 C SER A 454 9.244 4.405 1.136 1.00 64.14 C ATOM 2237 O SER A 454 10.136 4.382 1.987 1.00 63.23 O ATOM 2238 CB SER A 454 7.952 2.254 0.980 1.00 0.04 C ATOM 2239 OG SER A 454 8.034 2.155 -0.424 1.00 75.50 O ATOM 0 H SER A 454 6.149 3.812 0.232 1.00 21.11 H new ATOM 0 HA SER A 454 7.715 3.791 2.495 1.00 32.03 H new ATOM 0 HB2 SER A 454 8.815 1.767 1.435 1.00 0.04 H new ATOM 0 HB3 SER A 454 7.066 1.728 1.335 1.00 0.04 H new ATOM 0 HG SER A 454 7.131 2.162 -0.806 1.00 75.50 H new ATOM 2245 N SER A 455 9.370 5.005 -0.066 1.00 53.51 N ATOM 2246 CA SER A 455 10.545 5.795 -0.446 1.00 54.33 C ATOM 2247 C SER A 455 10.739 6.991 0.515 1.00 43.45 C ATOM 2248 O SER A 455 11.733 7.040 1.251 1.00 12.03 O ATOM 2249 CB SER A 455 10.406 6.274 -1.903 1.00 30.31 C ATOM 2250 OG SER A 455 11.529 7.035 -2.321 1.00 1.44 O ATOM 0 H SER A 455 8.658 4.952 -0.794 1.00 53.51 H new ATOM 0 HA SER A 455 11.431 5.164 -0.370 1.00 54.33 H new ATOM 0 HB2 SER A 455 10.288 5.411 -2.559 1.00 30.31 H new ATOM 0 HB3 SER A 455 9.503 6.876 -2.002 1.00 30.31 H new ATOM 0 HG SER A 455 11.404 7.319 -3.251 1.00 1.44 H new ATOM 2256 N TYR A 456 9.763 7.934 0.557 1.00 11.22 N ATOM 2257 CA TYR A 456 9.893 9.126 1.431 1.00 55.32 C ATOM 2258 C TYR A 456 9.736 8.784 2.935 1.00 33.41 C ATOM 2259 O TYR A 456 10.165 9.559 3.793 1.00 30.51 O ATOM 2260 CB TYR A 456 8.992 10.322 0.981 1.00 40.21 C ATOM 2261 CG TYR A 456 7.465 10.112 0.872 1.00 45.12 C ATOM 2262 CD1 TYR A 456 6.698 9.645 1.943 1.00 61.52 C ATOM 2263 CD2 TYR A 456 6.775 10.460 -0.299 1.00 75.21 C ATOM 2264 CE1 TYR A 456 5.324 9.534 1.848 1.00 35.14 C ATOM 2265 CE2 TYR A 456 5.401 10.339 -0.393 1.00 23.32 C ATOM 2266 CZ TYR A 456 4.683 9.877 0.683 1.00 4.31 C ATOM 2267 OH TYR A 456 3.309 9.771 0.597 1.00 32.42 O ATOM 0 H TYR A 456 8.901 7.895 0.012 1.00 11.22 H new ATOM 0 HA TYR A 456 10.919 9.473 1.306 1.00 55.32 H new ATOM 0 HB2 TYR A 456 9.162 11.142 1.678 1.00 40.21 H new ATOM 0 HB3 TYR A 456 9.349 10.654 0.006 1.00 40.21 H new ATOM 0 HD1 TYR A 456 7.189 9.365 2.863 1.00 61.52 H new ATOM 0 HD2 TYR A 456 7.331 10.831 -1.147 1.00 75.21 H new ATOM 0 HE1 TYR A 456 4.753 9.177 2.692 1.00 35.14 H new ATOM 0 HE2 TYR A 456 4.894 10.607 -1.308 1.00 23.32 H new ATOM 0 HH TYR A 456 3.014 10.054 -0.294 1.00 32.42 H new ATOM 2277 N LEU A 457 9.119 7.623 3.237 1.00 61.13 N ATOM 2278 CA LEU A 457 8.955 7.125 4.618 1.00 34.24 C ATOM 2279 C LEU A 457 10.302 6.661 5.196 1.00 53.03 C ATOM 2280 O LEU A 457 10.594 6.930 6.359 1.00 35.41 O ATOM 2281 CB LEU A 457 7.929 5.950 4.686 1.00 41.11 C ATOM 2282 CG LEU A 457 6.430 6.292 4.417 1.00 43.02 C ATOM 2283 CD1 LEU A 457 5.547 5.024 4.466 1.00 54.12 C ATOM 2284 CD2 LEU A 457 5.924 7.353 5.396 1.00 32.21 C ATOM 0 H LEU A 457 8.721 7.005 2.530 1.00 61.13 H new ATOM 0 HA LEU A 457 8.573 7.954 5.214 1.00 34.24 H new ATOM 0 HB2 LEU A 457 8.236 5.192 3.966 1.00 41.11 H new ATOM 0 HB3 LEU A 457 7.999 5.497 5.675 1.00 41.11 H new ATOM 0 HG LEU A 457 6.360 6.704 3.410 1.00 43.02 H new ATOM 0 HD11 LEU A 457 4.509 5.296 4.275 1.00 54.12 H new ATOM 0 HD12 LEU A 457 5.883 4.317 3.707 1.00 54.12 H new ATOM 0 HD13 LEU A 457 5.626 4.563 5.451 1.00 54.12 H new ATOM 0 HD21 LEU A 457 4.877 7.572 5.186 1.00 32.21 H new ATOM 0 HD22 LEU A 457 6.019 6.982 6.416 1.00 32.21 H new ATOM 0 HD23 LEU A 457 6.515 8.262 5.284 1.00 32.21 H new ATOM 2296 N THR A 458 11.111 5.949 4.380 1.00 72.11 N ATOM 2297 CA THR A 458 12.413 5.419 4.830 1.00 24.02 C ATOM 2298 C THR A 458 13.465 6.540 4.906 1.00 11.11 C ATOM 2299 O THR A 458 14.341 6.503 5.773 1.00 41.43 O ATOM 2300 CB THR A 458 12.921 4.223 3.947 1.00 23.33 C ATOM 2301 OG1 THR A 458 14.072 3.617 4.560 1.00 54.11 O ATOM 2302 CG2 THR A 458 13.275 4.636 2.508 1.00 53.24 C ATOM 0 H THR A 458 10.884 5.730 3.410 1.00 72.11 H new ATOM 0 HA THR A 458 12.260 5.019 5.832 1.00 24.02 H new ATOM 0 HB THR A 458 12.096 3.513 3.885 1.00 23.33 H new ATOM 0 HG1 THR A 458 14.383 2.871 4.006 1.00 54.11 H new ATOM 0 HG21 THR A 458 13.619 3.763 1.953 1.00 53.24 H new ATOM 0 HG22 THR A 458 12.393 5.051 2.021 1.00 53.24 H new ATOM 0 HG23 THR A 458 14.065 5.387 2.529 1.00 53.24 H new ATOM 2310 N GLN A 459 13.354 7.543 4.001 1.00 72.33 N ATOM 2311 CA GLN A 459 14.177 8.771 4.065 1.00 42.52 C ATOM 2312 C GLN A 459 13.913 9.503 5.398 1.00 52.12 C ATOM 2313 O GLN A 459 14.847 9.792 6.173 1.00 24.41 O ATOM 2314 CB GLN A 459 13.855 9.708 2.868 1.00 14.24 C ATOM 2315 CG GLN A 459 14.141 9.112 1.477 1.00 40.30 C ATOM 2316 CD GLN A 459 13.784 10.039 0.294 1.00 10.22 C ATOM 2317 OE1 GLN A 459 12.769 10.892 0.447 1.00 22.24 O flip ATOM 2318 NE2 GLN A 459 14.409 9.973 -0.766 1.00 53.31 N flip ATOM 0 H GLN A 459 12.701 7.523 3.218 1.00 72.33 H new ATOM 0 HA GLN A 459 15.229 8.492 4.009 1.00 42.52 H new ATOM 0 HB2 GLN A 459 12.802 9.986 2.917 1.00 14.24 H new ATOM 0 HB3 GLN A 459 14.433 10.625 2.979 1.00 14.24 H new ATOM 0 HG2 GLN A 459 15.199 8.858 1.416 1.00 40.30 H new ATOM 0 HG3 GLN A 459 13.583 8.181 1.373 1.00 40.30 H new ATOM 0 HE21 GLN A 459 15.182 9.314 -0.862 1.00 53.31 H new ATOM 0 HE22 GLN A 459 14.154 10.577 -1.547 1.00 53.31 H new ATOM 2327 N GLN A 460 12.605 9.739 5.663 1.00 50.33 N ATOM 2328 CA GLN A 460 12.127 10.411 6.878 1.00 11.12 C ATOM 2329 C GLN A 460 12.512 9.627 8.140 1.00 55.12 C ATOM 2330 O GLN A 460 12.923 10.227 9.121 1.00 41.40 O ATOM 2331 CB GLN A 460 10.587 10.610 6.816 1.00 64.51 C ATOM 2332 CG GLN A 460 9.949 11.270 8.067 1.00 75.24 C ATOM 2333 CD GLN A 460 10.481 12.679 8.371 1.00 20.41 C ATOM 2334 OE1 GLN A 460 9.960 13.676 7.876 1.00 52.30 O ATOM 2335 NE2 GLN A 460 11.508 12.773 9.205 1.00 73.13 N ATOM 0 H GLN A 460 11.854 9.463 5.030 1.00 50.33 H new ATOM 0 HA GLN A 460 12.609 11.387 6.930 1.00 11.12 H new ATOM 0 HB2 GLN A 460 10.352 11.221 5.944 1.00 64.51 H new ATOM 0 HB3 GLN A 460 10.118 9.638 6.660 1.00 64.51 H new ATOM 0 HG2 GLN A 460 8.869 11.323 7.926 1.00 75.24 H new ATOM 0 HG3 GLN A 460 10.127 10.631 8.932 1.00 75.24 H new ATOM 0 HE21 GLN A 460 11.922 11.929 9.602 1.00 73.13 H new ATOM 0 HE22 GLN A 460 11.884 13.689 9.450 1.00 73.13 H new ATOM 2344 N PHE A 461 12.390 8.288 8.095 1.00 44.23 N ATOM 2345 CA PHE A 461 12.697 7.423 9.250 1.00 44.41 C ATOM 2346 C PHE A 461 14.179 7.536 9.633 1.00 73.43 C ATOM 2347 O PHE A 461 14.498 7.752 10.799 1.00 74.45 O ATOM 2348 CB PHE A 461 12.327 5.943 8.962 1.00 64.15 C ATOM 2349 CG PHE A 461 12.635 4.970 10.111 1.00 55.33 C ATOM 2350 CD1 PHE A 461 12.305 5.291 11.433 1.00 45.24 C ATOM 2351 CD2 PHE A 461 13.275 3.751 9.878 1.00 70.03 C ATOM 2352 CE1 PHE A 461 12.603 4.427 12.467 1.00 0.33 C ATOM 2353 CE2 PHE A 461 13.565 2.886 10.920 1.00 74.53 C ATOM 2354 CZ PHE A 461 13.236 3.230 12.214 1.00 65.35 C ATOM 0 H PHE A 461 12.080 7.779 7.267 1.00 44.23 H new ATOM 0 HA PHE A 461 12.091 7.765 10.089 1.00 44.41 H new ATOM 0 HB2 PHE A 461 11.263 5.887 8.731 1.00 64.15 H new ATOM 0 HB3 PHE A 461 12.864 5.615 8.072 1.00 64.15 H new ATOM 0 HD1 PHE A 461 11.811 6.227 11.647 1.00 45.24 H new ATOM 0 HD2 PHE A 461 13.548 3.478 8.869 1.00 70.03 H new ATOM 0 HE1 PHE A 461 12.338 4.691 13.480 1.00 0.33 H new ATOM 0 HE2 PHE A 461 14.049 1.942 10.719 1.00 74.53 H new ATOM 0 HZ PHE A 461 13.474 2.562 13.028 1.00 65.35 H new ATOM 2364 N THR A 462 15.058 7.418 8.628 1.00 21.43 N ATOM 2365 CA THR A 462 16.513 7.456 8.824 1.00 54.32 C ATOM 2366 C THR A 462 16.980 8.811 9.419 1.00 10.24 C ATOM 2367 O THR A 462 17.862 8.836 10.281 1.00 22.02 O ATOM 2368 CB THR A 462 17.242 7.138 7.475 1.00 62.30 C ATOM 2369 OG1 THR A 462 16.832 5.836 7.013 1.00 62.15 O ATOM 2370 CG2 THR A 462 18.776 7.157 7.605 1.00 14.43 C ATOM 0 H THR A 462 14.779 7.293 7.655 1.00 21.43 H new ATOM 0 HA THR A 462 16.780 6.689 9.552 1.00 54.32 H new ATOM 0 HB THR A 462 16.963 7.918 6.766 1.00 62.30 H new ATOM 0 HG1 THR A 462 15.968 5.908 6.556 1.00 62.15 H new ATOM 0 HG21 THR A 462 19.226 6.930 6.639 1.00 14.43 H new ATOM 0 HG22 THR A 462 19.101 8.144 7.933 1.00 14.43 H new ATOM 0 HG23 THR A 462 19.089 6.411 8.335 1.00 14.43 H new ATOM 2378 N ALA A 463 16.350 9.922 8.989 1.00 60.12 N ATOM 2379 CA ALA A 463 16.672 11.274 9.503 1.00 33.50 C ATOM 2380 C ALA A 463 16.063 11.523 10.908 1.00 25.40 C ATOM 2381 O ALA A 463 16.747 12.005 11.825 1.00 51.03 O ATOM 2382 CB ALA A 463 16.198 12.336 8.505 1.00 72.13 C ATOM 0 H ALA A 463 15.612 9.912 8.285 1.00 60.12 H new ATOM 0 HA ALA A 463 17.754 11.343 9.612 1.00 33.50 H new ATOM 0 HB1 ALA A 463 16.437 13.328 8.888 1.00 72.13 H new ATOM 0 HB2 ALA A 463 16.699 12.186 7.549 1.00 72.13 H new ATOM 0 HB3 ALA A 463 15.120 12.251 8.367 1.00 72.13 H new ATOM 2388 N MET A 464 14.776 11.161 11.068 1.00 54.12 N ATOM 2389 CA MET A 464 14.007 11.376 12.324 1.00 53.34 C ATOM 2390 C MET A 464 14.611 10.564 13.482 1.00 71.55 C ATOM 2391 O MET A 464 14.617 11.007 14.634 1.00 41.54 O ATOM 2392 CB MET A 464 12.516 10.979 12.113 1.00 13.33 C ATOM 2393 CG MET A 464 11.608 11.118 13.346 1.00 24.42 C ATOM 2394 SD MET A 464 9.917 10.569 13.034 1.00 45.20 S ATOM 2395 CE MET A 464 9.315 11.787 11.865 1.00 1.14 C ATOM 0 H MET A 464 14.232 10.710 10.332 1.00 54.12 H new ATOM 0 HA MET A 464 14.062 12.434 12.582 1.00 53.34 H new ATOM 0 HB2 MET A 464 12.106 11.593 11.311 1.00 13.33 H new ATOM 0 HB3 MET A 464 12.479 9.944 11.772 1.00 13.33 H new ATOM 0 HG2 MET A 464 12.028 10.538 14.168 1.00 24.42 H new ATOM 0 HG3 MET A 464 11.594 12.160 13.666 1.00 24.42 H new ATOM 0 HE1 MET A 464 8.295 12.069 12.126 1.00 1.14 H new ATOM 0 HE2 MET A 464 9.954 12.669 11.897 1.00 1.14 H new ATOM 0 HE3 MET A 464 9.329 11.365 10.860 1.00 1.14 H new ATOM 2405 N ASN A 465 15.137 9.384 13.140 1.00 54.32 N ATOM 2406 CA ASN A 465 15.780 8.477 14.095 1.00 53.01 C ATOM 2407 C ASN A 465 17.232 8.931 14.343 1.00 60.01 C ATOM 2408 O ASN A 465 17.576 9.287 15.472 1.00 14.23 O ATOM 2409 CB ASN A 465 15.703 7.018 13.570 1.00 3.00 C ATOM 2410 CG ASN A 465 16.270 5.974 14.530 1.00 52.22 C ATOM 2411 OD1 ASN A 465 16.311 6.166 15.744 1.00 2.55 O ATOM 2412 ND2 ASN A 465 16.658 4.829 14.002 1.00 22.23 N ATOM 0 H ASN A 465 15.128 9.029 12.184 1.00 54.32 H new ATOM 0 HA ASN A 465 15.257 8.507 15.051 1.00 53.01 H new ATOM 0 HB2 ASN A 465 14.662 6.774 13.360 1.00 3.00 H new ATOM 0 HB3 ASN A 465 16.242 6.956 12.624 1.00 3.00 H new ATOM 0 HD21 ASN A 465 17.001 4.080 14.604 1.00 22.23 H new ATOM 0 HD22 ASN A 465 16.615 4.693 12.992 1.00 22.23 H new ATOM 2419 N LYS A 466 18.084 8.921 13.289 1.00 41.14 N ATOM 2420 CA LYS A 466 19.476 9.429 13.379 1.00 14.10 C ATOM 2421 C LYS A 466 19.746 10.540 12.333 1.00 51.41 C ATOM 2422 O LYS A 466 20.242 10.280 11.232 1.00 31.02 O ATOM 2423 CB LYS A 466 20.540 8.272 13.304 1.00 74.01 C ATOM 2424 CG LYS A 466 20.519 7.378 12.025 1.00 32.15 C ATOM 2425 CD LYS A 466 19.415 6.294 12.028 1.00 60.13 C ATOM 2426 CE LYS A 466 19.682 5.177 13.050 1.00 50.14 C ATOM 2427 NZ LYS A 466 20.899 4.392 12.728 1.00 63.45 N ATOM 0 H LYS A 466 17.832 8.567 12.366 1.00 41.14 H new ATOM 0 HA LYS A 466 19.586 9.882 14.364 1.00 14.10 H new ATOM 0 HB2 LYS A 466 21.532 8.716 13.392 1.00 74.01 H new ATOM 0 HB3 LYS A 466 20.402 7.627 14.172 1.00 74.01 H new ATOM 0 HG2 LYS A 466 20.384 8.016 11.151 1.00 32.15 H new ATOM 0 HG3 LYS A 466 21.489 6.893 11.918 1.00 32.15 H new ATOM 0 HD2 LYS A 466 18.455 6.760 12.248 1.00 60.13 H new ATOM 0 HD3 LYS A 466 19.337 5.858 11.032 1.00 60.13 H new ATOM 0 HE2 LYS A 466 19.788 5.615 14.043 1.00 50.14 H new ATOM 0 HE3 LYS A 466 18.822 4.509 13.086 1.00 50.14 H new ATOM 0 HZ1 LYS A 466 20.935 3.544 13.329 1.00 63.45 H new ATOM 0 HZ2 LYS A 466 20.873 4.106 11.728 1.00 63.45 H new ATOM 0 HZ3 LYS A 466 21.743 4.974 12.900 1.00 63.45 H new ATOM 2441 N SER A 467 19.322 11.775 12.649 1.00 25.53 N ATOM 2442 CA SER A 467 19.797 12.994 11.958 1.00 54.31 C ATOM 2443 C SER A 467 21.357 13.066 11.984 1.00 34.12 C ATOM 2444 O SER A 467 21.934 13.413 13.041 1.00 42.13 O ATOM 2445 CB SER A 467 19.152 14.242 12.627 1.00 24.04 C ATOM 2446 OG SER A 467 19.428 15.430 11.906 1.00 1.51 O ATOM 2447 OXT SER A 467 21.996 12.740 10.961 1.00 37.86 O ATOM 0 H SER A 467 18.643 11.960 13.387 1.00 25.53 H new ATOM 0 HA SER A 467 19.495 12.966 10.911 1.00 54.31 H new ATOM 0 HB2 SER A 467 18.073 14.101 12.695 1.00 24.04 H new ATOM 0 HB3 SER A 467 19.525 14.341 13.646 1.00 24.04 H new ATOM 0 HG SER A 467 19.005 16.191 12.356 1.00 1.51 H new