USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 743 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 31 GLN : amide:sc= -5.8 K(o=-12,f=-15!) USER MOD Set 1.2: A 81 MET CE :methyl 138:sc= -5.97 (180deg=-5.12!) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -8.51! C(o=-19!,f=-22!) USER MOD Set 2.2: A 24 SER OG : rot -170:sc= -0.457 USER MOD Set 2.3: A 25 MET CE :methyl -152:sc= -4.28! (180deg=-6.08!) USER MOD Set 2.4: A 48 MET CE :methyl 138:sc= -2.61 (180deg=-1.11) USER MOD Set 2.5: A 57 MET CE :methyl 138:sc= -3.46! (180deg=-6.51!) USER MOD Set 3.1: A 11 THR OG1 : rot -62:sc= 1.24 USER MOD Set 3.2: A 43 GLN :FLIP amide:sc= 1 F(o=-2.8,f=2.2) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.359 USER MOD Single : A 9 CYS SG : rot -12:sc= 0.76 USER MOD Single : A 13 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.18) USER MOD Single : A 14 ASN : amide:sc= -0.355 K(o=-0.35,f=-1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= 0.0852 (180deg=0.0456) USER MOD Single : A 27 TYR OH : rot 110:sc= -1.61 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -50:sc= 0.617 USER MOD Single : A 34 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.4!) USER MOD Single : A 39 ASN : amide:sc= -0.0911 X(o=-0.091,f=-0.034) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -2.13 F(o=-4.3,f=-2.1) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.143 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= 0.045 (180deg=0.0236) USER MOD Single : A 52 THR OG1 : rot -160:sc= -0.0998 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0721 USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.185) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc=-0.00483 X(o=-0.0048,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.68) USER MOD Single : A 79 TYR OH : rot 180:sc=-0.00231 USER MOD Single : A 80 SER OG : rot -5:sc= 1.14 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.706 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -12.533 2.856 18.270 1.00 45.33 N ATOM 2 CA ALA A 2 -11.562 2.472 19.287 1.00 70.30 C ATOM 3 C ALA A 2 -10.544 1.483 18.729 1.00 43.55 C ATOM 4 O ALA A 2 -9.336 1.695 18.836 1.00 42.42 O ATOM 5 CB ALA A 2 -12.271 1.876 20.494 1.00 0.24 C ATOM 0 HA ALA A 2 -11.026 3.368 19.599 1.00 70.30 H new ATOM 0 HB1 ALA A 2 -11.534 1.593 21.246 1.00 0.24 H new ATOM 0 HB2 ALA A 2 -12.955 2.613 20.915 1.00 0.24 H new ATOM 0 HB3 ALA A 2 -12.833 0.994 20.187 1.00 0.24 H new ATOM 11 N ARG A 3 -11.039 0.404 18.133 1.00 31.51 N ATOM 12 CA ARG A 3 -10.172 -0.618 17.560 1.00 63.43 C ATOM 13 C ARG A 3 -9.583 -0.150 16.232 1.00 1.54 C ATOM 14 O ARG A 3 -10.315 0.215 15.313 1.00 41.31 O ATOM 15 CB ARG A 3 -10.949 -1.920 17.354 1.00 65.12 C ATOM 16 CG ARG A 3 -10.061 -3.150 17.255 1.00 41.14 C ATOM 17 CD ARG A 3 -9.728 -3.709 18.629 1.00 44.20 C ATOM 18 NE ARG A 3 -9.221 -5.076 18.555 1.00 24.45 N ATOM 19 CZ ARG A 3 -8.524 -5.655 19.527 1.00 33.34 C ATOM 20 NH1 ARG A 3 -8.254 -4.989 20.641 1.00 11.13 N ATOM 21 NH2 ARG A 3 -8.097 -6.904 19.386 1.00 10.43 N ATOM 0 H ARG A 3 -12.036 0.215 18.034 1.00 31.51 H new ATOM 0 HA ARG A 3 -9.354 -0.797 18.258 1.00 63.43 H new ATOM 0 HB2 ARG A 3 -11.647 -2.052 18.181 1.00 65.12 H new ATOM 0 HB3 ARG A 3 -11.544 -1.838 16.445 1.00 65.12 H new ATOM 0 HG2 ARG A 3 -10.562 -3.915 16.662 1.00 41.14 H new ATOM 0 HG3 ARG A 3 -9.140 -2.894 16.732 1.00 41.14 H new ATOM 0 HD2 ARG A 3 -8.985 -3.072 19.109 1.00 44.20 H new ATOM 0 HD3 ARG A 3 -10.620 -3.686 19.255 1.00 44.20 H new ATOM 0 HE ARG A 3 -9.412 -5.616 17.711 1.00 24.45 H new ATOM 0 HH11 ARG A 3 -8.581 -4.030 20.754 1.00 11.13 H new ATOM 0 HH12 ARG A 3 -7.719 -5.436 21.385 1.00 11.13 H new ATOM 0 HH21 ARG A 3 -8.304 -7.420 18.531 1.00 10.43 H new ATOM 0 HH22 ARG A 3 -7.562 -7.347 20.133 1.00 10.43 H new ATOM 35 N GLN A 4 -8.257 -0.162 16.142 1.00 40.02 N ATOM 36 CA GLN A 4 -7.571 0.263 14.928 1.00 43.24 C ATOM 37 C GLN A 4 -6.893 -0.919 14.243 1.00 23.11 C ATOM 38 O GLN A 4 -6.581 -1.924 14.882 1.00 61.31 O ATOM 39 CB GLN A 4 -6.536 1.342 15.252 1.00 22.34 C ATOM 40 CG GLN A 4 -5.362 0.831 16.072 1.00 65.04 C ATOM 41 CD GLN A 4 -4.432 1.943 16.515 1.00 3.20 C ATOM 42 OE1 GLN A 4 -3.556 2.373 15.763 1.00 14.01 O ATOM 43 NE2 GLN A 4 -4.617 2.416 17.742 1.00 42.10 N ATOM 0 H GLN A 4 -7.637 -0.461 16.895 1.00 40.02 H new ATOM 0 HA GLN A 4 -8.315 0.676 14.247 1.00 43.24 H new ATOM 0 HB2 GLN A 4 -6.161 1.766 14.320 1.00 22.34 H new ATOM 0 HB3 GLN A 4 -7.024 2.151 15.796 1.00 22.34 H new ATOM 0 HG2 GLN A 4 -5.738 0.306 16.950 1.00 65.04 H new ATOM 0 HG3 GLN A 4 -4.800 0.106 15.483 1.00 65.04 H new ATOM 0 HE21 GLN A 4 -5.355 2.031 18.331 1.00 42.10 H new ATOM 0 HE22 GLN A 4 -4.021 3.165 18.095 1.00 42.10 H new ATOM 52 N VAL A 5 -6.667 -0.792 12.939 1.00 35.22 N ATOM 53 CA VAL A 5 -6.026 -1.850 12.168 1.00 42.13 C ATOM 54 C VAL A 5 -4.661 -1.405 11.654 1.00 51.20 C ATOM 55 O VAL A 5 -4.388 -0.209 11.545 1.00 25.21 O ATOM 56 CB VAL A 5 -6.897 -2.280 10.972 1.00 23.14 C ATOM 57 CG1 VAL A 5 -8.258 -2.764 11.450 1.00 44.43 C ATOM 58 CG2 VAL A 5 -7.046 -1.135 9.983 1.00 43.43 C ATOM 0 H VAL A 5 -6.918 0.033 12.395 1.00 35.22 H new ATOM 0 HA VAL A 5 -5.900 -2.699 12.840 1.00 42.13 H new ATOM 0 HB VAL A 5 -6.402 -3.107 10.463 1.00 23.14 H new ATOM 0 HG11 VAL A 5 -8.860 -3.064 10.592 1.00 44.43 H new ATOM 0 HG12 VAL A 5 -8.127 -3.616 12.117 1.00 44.43 H new ATOM 0 HG13 VAL A 5 -8.763 -1.959 11.984 1.00 44.43 H new ATOM 0 HG21 VAL A 5 -7.664 -1.456 9.145 1.00 43.43 H new ATOM 0 HG22 VAL A 5 -7.518 -0.286 10.478 1.00 43.43 H new ATOM 0 HG23 VAL A 5 -6.063 -0.840 9.617 1.00 43.43 H new ATOM 68 N ILE A 6 -3.809 -2.374 11.339 1.00 23.23 N ATOM 69 CA ILE A 6 -2.473 -2.082 10.835 1.00 4.01 C ATOM 70 C ILE A 6 -2.482 -1.911 9.320 1.00 51.41 C ATOM 71 O ILE A 6 -3.296 -2.517 8.622 1.00 43.45 O ATOM 72 CB ILE A 6 -1.474 -3.194 11.208 1.00 14.24 C ATOM 73 CG1 ILE A 6 -1.545 -3.490 12.708 1.00 71.42 C ATOM 74 CG2 ILE A 6 -0.062 -2.794 10.808 1.00 11.11 C ATOM 75 CD1 ILE A 6 -2.562 -4.552 13.067 1.00 44.35 C ATOM 0 H ILE A 6 -4.020 -3.368 11.424 1.00 23.23 H new ATOM 0 HA ILE A 6 -2.157 -1.149 11.302 1.00 4.01 H new ATOM 0 HB ILE A 6 -1.741 -4.100 10.664 1.00 14.24 H new ATOM 0 HG12 ILE A 6 -0.562 -3.808 13.054 1.00 71.42 H new ATOM 0 HG13 ILE A 6 -1.788 -2.571 13.240 1.00 71.42 H new ATOM 0 HG21 ILE A 6 0.632 -3.590 11.078 1.00 11.11 H new ATOM 0 HG22 ILE A 6 -0.022 -2.628 9.732 1.00 11.11 H new ATOM 0 HG23 ILE A 6 0.217 -1.877 11.327 1.00 11.11 H new ATOM 0 HD11 ILE A 6 -2.558 -4.710 14.145 1.00 44.35 H new ATOM 0 HD12 ILE A 6 -3.554 -4.228 12.752 1.00 44.35 H new ATOM 0 HD13 ILE A 6 -2.308 -5.484 12.563 1.00 44.35 H new ATOM 87 N CYS A 7 -1.572 -1.083 8.818 1.00 32.21 N ATOM 88 CA CYS A 7 -1.475 -0.832 7.384 1.00 24.55 C ATOM 89 C CYS A 7 -0.766 -1.984 6.678 1.00 11.22 C ATOM 90 O CYS A 7 -0.002 -2.727 7.294 1.00 11.34 O ATOM 91 CB CYS A 7 -0.729 0.477 7.124 1.00 13.43 C ATOM 92 SG CYS A 7 1.050 0.388 7.431 1.00 23.40 S ATOM 0 H CYS A 7 -0.891 -0.574 9.382 1.00 32.21 H new ATOM 0 HA CYS A 7 -2.486 -0.751 6.985 1.00 24.55 H new ATOM 0 HB2 CYS A 7 -0.893 0.777 6.089 1.00 13.43 H new ATOM 0 HB3 CYS A 7 -1.157 1.257 7.754 1.00 13.43 H new ATOM 0 HG CYS A 7 1.592 1.543 7.181 1.00 23.40 H new ATOM 98 N TRP A 8 -1.026 -2.126 5.384 1.00 72.13 N ATOM 99 CA TRP A 8 -0.414 -3.189 4.594 1.00 54.32 C ATOM 100 C TRP A 8 0.671 -2.631 3.680 1.00 25.40 C ATOM 101 O TRP A 8 0.388 -1.858 2.765 1.00 43.53 O ATOM 102 CB TRP A 8 -1.476 -3.911 3.763 1.00 55.41 C ATOM 103 CG TRP A 8 -2.454 -4.686 4.593 1.00 61.51 C ATOM 104 CD1 TRP A 8 -3.359 -4.179 5.481 1.00 23.33 C ATOM 105 CD2 TRP A 8 -2.623 -6.108 4.613 1.00 63.12 C ATOM 106 NE1 TRP A 8 -4.080 -5.200 6.052 1.00 22.13 N ATOM 107 CE2 TRP A 8 -3.648 -6.393 5.536 1.00 51.03 C ATOM 108 CE3 TRP A 8 -2.009 -7.168 3.939 1.00 12.34 C ATOM 109 CZ2 TRP A 8 -4.070 -7.693 5.801 1.00 12.00 C ATOM 110 CZ3 TRP A 8 -2.429 -8.457 4.204 1.00 31.41 C ATOM 111 CH2 TRP A 8 -3.452 -8.711 5.128 1.00 61.24 C ATOM 0 H TRP A 8 -1.656 -1.519 4.859 1.00 72.13 H new ATOM 0 HA TRP A 8 0.045 -3.900 5.281 1.00 54.32 H new ATOM 0 HB2 TRP A 8 -2.018 -3.179 3.164 1.00 55.41 H new ATOM 0 HB3 TRP A 8 -0.983 -4.590 3.067 1.00 55.41 H new ATOM 0 HD1 TRP A 8 -3.489 -3.130 5.702 1.00 23.33 H new ATOM 0 HE1 TRP A 8 -4.818 -5.088 6.748 1.00 22.13 H new ATOM 0 HE3 TRP A 8 -1.221 -6.982 3.224 1.00 12.34 H new ATOM 0 HZ2 TRP A 8 -4.858 -7.891 6.513 1.00 12.00 H new ATOM 0 HZ3 TRP A 8 -1.961 -9.284 3.690 1.00 31.41 H new ATOM 0 HH2 TRP A 8 -3.758 -9.730 5.312 1.00 61.24 H new ATOM 122 N CYS A 9 1.913 -3.029 3.934 1.00 43.05 N ATOM 123 CA CYS A 9 3.042 -2.568 3.133 1.00 2.10 C ATOM 124 C CYS A 9 3.366 -3.565 2.025 1.00 5.04 C ATOM 125 O CYS A 9 3.718 -4.714 2.293 1.00 34.24 O ATOM 126 CB CYS A 9 4.270 -2.355 4.020 1.00 72.21 C ATOM 127 SG CYS A 9 4.726 -3.799 5.008 1.00 71.10 S ATOM 0 H CYS A 9 2.164 -3.669 4.687 1.00 43.05 H new ATOM 0 HA CYS A 9 2.766 -1.619 2.673 1.00 2.10 H new ATOM 0 HB2 CYS A 9 5.116 -2.077 3.391 1.00 72.21 H new ATOM 0 HB3 CYS A 9 4.081 -1.515 4.689 1.00 72.21 H new ATOM 0 HG CYS A 9 3.767 -4.676 4.964 1.00 71.10 H new ATOM 133 N PHE A 10 3.245 -3.118 0.780 1.00 51.02 N ATOM 134 CA PHE A 10 3.522 -3.972 -0.369 1.00 44.33 C ATOM 135 C PHE A 10 4.320 -3.216 -1.428 1.00 72.13 C ATOM 136 O PHE A 10 4.390 -1.987 -1.410 1.00 43.31 O ATOM 137 CB PHE A 10 2.216 -4.491 -0.973 1.00 32.32 C ATOM 138 CG PHE A 10 1.595 -3.547 -1.962 1.00 10.42 C ATOM 139 CD1 PHE A 10 1.010 -2.365 -1.537 1.00 55.44 C ATOM 140 CD2 PHE A 10 1.597 -3.840 -3.316 1.00 23.21 C ATOM 141 CE1 PHE A 10 0.437 -1.494 -2.445 1.00 71.14 C ATOM 142 CE2 PHE A 10 1.027 -2.973 -4.229 1.00 35.23 C ATOM 143 CZ PHE A 10 0.446 -1.798 -3.793 1.00 25.13 C ATOM 0 H PHE A 10 2.957 -2.169 0.541 1.00 51.02 H new ATOM 0 HA PHE A 10 4.117 -4.819 -0.026 1.00 44.33 H new ATOM 0 HB2 PHE A 10 2.406 -5.445 -1.464 1.00 32.32 H new ATOM 0 HB3 PHE A 10 1.505 -4.682 -0.170 1.00 32.32 H new ATOM 0 HD1 PHE A 10 1.002 -2.121 -0.485 1.00 55.44 H new ATOM 0 HD2 PHE A 10 2.050 -4.757 -3.662 1.00 23.21 H new ATOM 0 HE1 PHE A 10 -0.017 -0.577 -2.101 1.00 71.14 H new ATOM 0 HE2 PHE A 10 1.036 -3.214 -5.282 1.00 35.23 H new ATOM 0 HZ PHE A 10 -0.000 -1.118 -4.504 1.00 25.13 H new ATOM 153 N THR A 11 4.921 -3.961 -2.352 1.00 15.45 N ATOM 154 CA THR A 11 5.715 -3.363 -3.418 1.00 35.05 C ATOM 155 C THR A 11 5.276 -3.877 -4.784 1.00 53.30 C ATOM 156 O THR A 11 5.254 -5.084 -5.027 1.00 73.02 O ATOM 157 CB THR A 11 7.216 -3.653 -3.230 1.00 74.53 C ATOM 158 OG1 THR A 11 7.536 -3.698 -1.835 1.00 52.33 O ATOM 159 CG2 THR A 11 8.062 -2.592 -3.917 1.00 11.04 C ATOM 0 H THR A 11 4.872 -4.979 -2.383 1.00 15.45 H new ATOM 0 HA THR A 11 5.552 -2.286 -3.369 1.00 35.05 H new ATOM 0 HB THR A 11 7.436 -4.620 -3.683 1.00 74.53 H new ATOM 0 HG1 THR A 11 7.347 -2.827 -1.428 1.00 52.33 H new ATOM 0 HG21 THR A 11 9.118 -2.818 -3.771 1.00 11.04 H new ATOM 0 HG22 THR A 11 7.838 -2.582 -4.984 1.00 11.04 H new ATOM 0 HG23 THR A 11 7.837 -1.615 -3.490 1.00 11.04 H new ATOM 167 N LEU A 12 4.928 -2.954 -5.674 1.00 14.32 N ATOM 168 CA LEU A 12 4.490 -3.314 -7.018 1.00 51.41 C ATOM 169 C LEU A 12 5.555 -2.958 -8.051 1.00 32.52 C ATOM 170 O LEU A 12 5.913 -1.793 -8.212 1.00 1.35 O ATOM 171 CB LEU A 12 3.178 -2.603 -7.356 1.00 43.40 C ATOM 172 CG LEU A 12 2.326 -3.250 -8.448 1.00 33.33 C ATOM 173 CD1 LEU A 12 2.018 -4.697 -8.096 1.00 73.53 C ATOM 174 CD2 LEU A 12 1.039 -2.465 -8.656 1.00 43.31 C ATOM 0 H LEU A 12 4.941 -1.951 -5.489 1.00 14.32 H new ATOM 0 HA LEU A 12 4.329 -4.392 -7.045 1.00 51.41 H new ATOM 0 HB2 LEU A 12 2.579 -2.537 -6.447 1.00 43.40 H new ATOM 0 HB3 LEU A 12 3.409 -1.582 -7.660 1.00 43.40 H new ATOM 0 HG LEU A 12 2.891 -3.236 -9.380 1.00 33.33 H new ATOM 0 HD11 LEU A 12 1.411 -5.142 -8.884 1.00 73.53 H new ATOM 0 HD12 LEU A 12 2.950 -5.254 -7.998 1.00 73.53 H new ATOM 0 HD13 LEU A 12 1.472 -4.734 -7.153 1.00 73.53 H new ATOM 0 HD21 LEU A 12 0.445 -2.940 -9.437 1.00 43.31 H new ATOM 0 HD22 LEU A 12 0.469 -2.447 -7.727 1.00 43.31 H new ATOM 0 HD23 LEU A 12 1.279 -1.444 -8.953 1.00 43.31 H new ATOM 186 N ASN A 13 6.055 -3.972 -8.750 1.00 22.12 N ATOM 187 CA ASN A 13 7.078 -3.767 -9.769 1.00 0.41 C ATOM 188 C ASN A 13 6.491 -3.926 -11.168 1.00 65.12 C ATOM 189 O ASN A 13 5.756 -4.874 -11.440 1.00 23.44 O ATOM 190 CB ASN A 13 8.230 -4.754 -9.571 1.00 42.31 C ATOM 191 CG ASN A 13 7.755 -6.192 -9.508 1.00 35.33 C ATOM 192 OD1 ASN A 13 7.431 -6.704 -8.436 1.00 33.12 O ATOM 193 ND2 ASN A 13 7.711 -6.852 -10.659 1.00 74.13 N ATOM 0 H ASN A 13 5.768 -4.943 -8.629 1.00 22.12 H new ATOM 0 HA ASN A 13 7.459 -2.751 -9.667 1.00 0.41 H new ATOM 0 HB2 ASN A 13 8.943 -4.645 -10.389 1.00 42.31 H new ATOM 0 HB3 ASN A 13 8.761 -4.509 -8.651 1.00 42.31 H new ATOM 0 HD21 ASN A 13 7.399 -7.823 -10.679 1.00 74.13 H new ATOM 0 HD22 ASN A 13 7.989 -6.388 -11.524 1.00 74.13 H new ATOM 200 N ASN A 14 6.823 -2.991 -12.053 1.00 30.31 N ATOM 201 CA ASN A 14 6.329 -3.028 -13.425 1.00 3.12 C ATOM 202 C ASN A 14 4.819 -3.241 -13.454 1.00 12.42 C ATOM 203 O ASN A 14 4.316 -4.223 -14.000 1.00 14.32 O ATOM 204 CB ASN A 14 7.027 -4.140 -14.211 1.00 4.34 C ATOM 205 CG ASN A 14 6.596 -4.179 -15.664 1.00 45.40 C ATOM 206 OD1 ASN A 14 6.252 -3.151 -16.249 1.00 21.43 O ATOM 207 ND2 ASN A 14 6.614 -5.368 -16.254 1.00 75.04 N ATOM 0 H ASN A 14 7.431 -2.199 -11.845 1.00 30.31 H new ATOM 0 HA ASN A 14 6.552 -2.068 -13.891 1.00 3.12 H new ATOM 0 HB2 ASN A 14 8.106 -3.996 -14.159 1.00 4.34 H new ATOM 0 HB3 ASN A 14 6.811 -5.101 -13.745 1.00 4.34 H new ATOM 0 HD21 ASN A 14 6.335 -5.457 -17.231 1.00 75.04 H new ATOM 0 HD22 ASN A 14 6.906 -6.193 -15.730 1.00 75.04 H new ATOM 214 N PRO A 15 4.077 -2.299 -12.853 1.00 11.51 N ATOM 215 CA PRO A 15 2.613 -2.360 -12.797 1.00 44.41 C ATOM 216 C PRO A 15 1.971 -2.134 -14.162 1.00 3.33 C ATOM 217 O PRO A 15 2.448 -1.323 -14.957 1.00 63.01 O ATOM 218 CB PRO A 15 2.247 -1.223 -11.839 1.00 62.22 C ATOM 219 CG PRO A 15 3.384 -0.265 -11.936 1.00 21.34 C ATOM 220 CD PRO A 15 4.610 -1.101 -12.182 1.00 52.20 C ATOM 0 HA PRO A 15 2.258 -3.339 -12.474 1.00 44.41 H new ATOM 0 HB2 PRO A 15 1.307 -0.752 -12.125 1.00 62.22 H new ATOM 0 HB3 PRO A 15 2.123 -1.589 -10.820 1.00 62.22 H new ATOM 0 HG2 PRO A 15 3.227 0.446 -12.747 1.00 21.34 H new ATOM 0 HG3 PRO A 15 3.485 0.315 -11.019 1.00 21.34 H new ATOM 0 HD2 PRO A 15 5.334 -0.579 -12.808 1.00 52.20 H new ATOM 0 HD3 PRO A 15 5.117 -1.354 -11.251 1.00 52.20 H new ATOM 228 N LEU A 16 0.887 -2.854 -14.427 1.00 24.42 N ATOM 229 CA LEU A 16 0.179 -2.732 -15.696 1.00 71.02 C ATOM 230 C LEU A 16 -0.799 -1.562 -15.664 1.00 4.54 C ATOM 231 O LEU A 16 -1.427 -1.236 -16.671 1.00 22.30 O ATOM 232 CB LEU A 16 -0.570 -4.028 -16.012 1.00 20.03 C ATOM 233 CG LEU A 16 0.296 -5.225 -16.405 1.00 43.04 C ATOM 234 CD1 LEU A 16 0.591 -6.093 -15.192 1.00 13.11 C ATOM 235 CD2 LEU A 16 -0.385 -6.041 -17.494 1.00 43.15 C ATOM 0 H LEU A 16 0.479 -3.529 -13.780 1.00 24.42 H new ATOM 0 HA LEU A 16 0.916 -2.545 -16.477 1.00 71.02 H new ATOM 0 HB2 LEU A 16 -1.162 -4.304 -15.139 1.00 20.03 H new ATOM 0 HB3 LEU A 16 -1.271 -3.830 -16.823 1.00 20.03 H new ATOM 0 HG LEU A 16 1.242 -4.851 -16.796 1.00 43.04 H new ATOM 0 HD11 LEU A 16 1.208 -6.940 -15.492 1.00 13.11 H new ATOM 0 HD12 LEU A 16 1.121 -5.504 -14.444 1.00 13.11 H new ATOM 0 HD13 LEU A 16 -0.345 -6.458 -14.770 1.00 13.11 H new ATOM 0 HD21 LEU A 16 0.246 -6.889 -17.761 1.00 43.15 H new ATOM 0 HD22 LEU A 16 -1.346 -6.404 -17.129 1.00 43.15 H new ATOM 0 HD23 LEU A 16 -0.543 -5.415 -18.372 1.00 43.15 H new ATOM 247 N SER A 17 -0.920 -0.931 -14.500 1.00 11.11 N ATOM 248 CA SER A 17 -1.822 0.203 -14.335 1.00 72.04 C ATOM 249 C SER A 17 -1.769 0.737 -12.907 1.00 71.32 C ATOM 250 O SER A 17 -1.337 0.054 -11.978 1.00 2.51 O ATOM 251 CB SER A 17 -3.255 -0.203 -14.687 1.00 43.35 C ATOM 252 OG SER A 17 -4.037 -0.379 -13.519 1.00 4.21 O ATOM 0 H SER A 17 -0.405 -1.186 -13.657 1.00 11.11 H new ATOM 0 HA SER A 17 -1.499 0.994 -15.012 1.00 72.04 H new ATOM 0 HB2 SER A 17 -3.708 0.561 -15.320 1.00 43.35 H new ATOM 0 HB3 SER A 17 -3.243 -1.128 -15.263 1.00 43.35 H new ATOM 0 HG SER A 17 -4.948 -0.637 -13.771 1.00 4.21 H new ATOM 258 N PRO A 18 -2.219 1.987 -12.727 1.00 14.24 N ATOM 259 CA PRO A 18 -2.235 2.641 -11.415 1.00 3.41 C ATOM 260 C PRO A 18 -3.267 2.029 -10.474 1.00 4.32 C ATOM 261 O PRO A 18 -4.278 1.482 -10.916 1.00 3.02 O ATOM 262 CB PRO A 18 -2.605 4.090 -11.745 1.00 63.41 C ATOM 263 CG PRO A 18 -3.356 4.005 -13.029 1.00 44.40 C ATOM 264 CD PRO A 18 -2.749 2.859 -13.789 1.00 61.51 C ATOM 0 HA PRO A 18 -1.282 2.537 -10.897 1.00 3.41 H new ATOM 0 HB2 PRO A 18 -3.215 4.532 -10.958 1.00 63.41 H new ATOM 0 HB3 PRO A 18 -1.716 4.713 -11.847 1.00 63.41 H new ATOM 0 HG2 PRO A 18 -4.418 3.835 -12.850 1.00 44.40 H new ATOM 0 HG3 PRO A 18 -3.272 4.934 -13.592 1.00 44.40 H new ATOM 0 HD2 PRO A 18 -3.491 2.344 -14.399 1.00 61.51 H new ATOM 0 HD3 PRO A 18 -1.961 3.196 -14.463 1.00 61.51 H new ATOM 272 N LEU A 19 -3.006 2.125 -9.175 1.00 1.13 N ATOM 273 CA LEU A 19 -3.913 1.581 -8.170 1.00 60.12 C ATOM 274 C LEU A 19 -5.109 2.503 -7.960 1.00 13.42 C ATOM 275 O LEU A 19 -5.117 3.642 -8.427 1.00 55.21 O ATOM 276 CB LEU A 19 -3.175 1.374 -6.846 1.00 42.34 C ATOM 277 CG LEU A 19 -1.786 0.743 -6.944 1.00 64.10 C ATOM 278 CD1 LEU A 19 -1.002 0.976 -5.662 1.00 2.51 C ATOM 279 CD2 LEU A 19 -1.896 -0.746 -7.240 1.00 40.32 C ATOM 0 H LEU A 19 -2.174 2.574 -8.793 1.00 1.13 H new ATOM 0 HA LEU A 19 -4.278 0.619 -8.529 1.00 60.12 H new ATOM 0 HB2 LEU A 19 -3.079 2.341 -6.352 1.00 42.34 H new ATOM 0 HB3 LEU A 19 -3.793 0.747 -6.203 1.00 42.34 H new ATOM 0 HG LEU A 19 -1.250 1.218 -7.765 1.00 64.10 H new ATOM 0 HD11 LEU A 19 -0.016 0.520 -5.750 1.00 2.51 H new ATOM 0 HD12 LEU A 19 -0.892 2.047 -5.492 1.00 2.51 H new ATOM 0 HD13 LEU A 19 -1.535 0.528 -4.823 1.00 2.51 H new ATOM 0 HD21 LEU A 19 -0.898 -1.179 -7.306 1.00 40.32 H new ATOM 0 HD22 LEU A 19 -2.451 -1.236 -6.440 1.00 40.32 H new ATOM 0 HD23 LEU A 19 -2.418 -0.891 -8.186 1.00 40.32 H new ATOM 291 N SER A 20 -6.118 2.005 -7.252 1.00 24.53 N ATOM 292 CA SER A 20 -7.320 2.783 -6.980 1.00 52.35 C ATOM 293 C SER A 20 -7.934 2.386 -5.641 1.00 50.14 C ATOM 294 O SER A 20 -7.589 1.351 -5.070 1.00 12.05 O ATOM 295 CB SER A 20 -8.343 2.588 -8.101 1.00 52.32 C ATOM 296 OG SER A 20 -8.705 1.224 -8.229 1.00 53.35 O ATOM 0 H SER A 20 -6.126 1.065 -6.856 1.00 24.53 H new ATOM 0 HA SER A 20 -7.039 3.835 -6.933 1.00 52.35 H new ATOM 0 HB2 SER A 20 -9.231 3.185 -7.895 1.00 52.32 H new ATOM 0 HB3 SER A 20 -7.928 2.947 -9.043 1.00 52.32 H new ATOM 0 HG SER A 20 -9.361 1.126 -8.951 1.00 53.35 H new ATOM 302 N LEU A 21 -8.846 3.216 -5.146 1.00 64.05 N ATOM 303 CA LEU A 21 -9.509 2.953 -3.874 1.00 72.02 C ATOM 304 C LEU A 21 -10.322 1.664 -3.940 1.00 71.02 C ATOM 305 O LEU A 21 -10.805 1.276 -5.005 1.00 12.05 O ATOM 306 CB LEU A 21 -10.419 4.124 -3.499 1.00 43.32 C ATOM 307 CG LEU A 21 -11.399 3.873 -2.353 1.00 73.42 C ATOM 308 CD1 LEU A 21 -10.656 3.743 -1.033 1.00 65.41 C ATOM 309 CD2 LEU A 21 -12.431 4.989 -2.279 1.00 4.02 C ATOM 0 H LEU A 21 -9.143 4.076 -5.606 1.00 64.05 H new ATOM 0 HA LEU A 21 -8.741 2.838 -3.109 1.00 72.02 H new ATOM 0 HB2 LEU A 21 -9.792 4.975 -3.234 1.00 43.32 H new ATOM 0 HB3 LEU A 21 -10.990 4.412 -4.382 1.00 43.32 H new ATOM 0 HG LEU A 21 -11.920 2.935 -2.546 1.00 73.42 H new ATOM 0 HD11 LEU A 21 -11.370 3.565 -0.229 1.00 65.41 H new ATOM 0 HD12 LEU A 21 -9.957 2.908 -1.089 1.00 65.41 H new ATOM 0 HD13 LEU A 21 -10.107 4.663 -0.833 1.00 65.41 H new ATOM 0 HD21 LEU A 21 -13.120 4.793 -1.457 1.00 4.02 H new ATOM 0 HD22 LEU A 21 -11.927 5.940 -2.111 1.00 4.02 H new ATOM 0 HD23 LEU A 21 -12.987 5.034 -3.216 1.00 4.02 H new ATOM 321 N HIS A 22 -10.471 1.005 -2.795 1.00 52.14 N ATOM 322 CA HIS A 22 -11.228 -0.239 -2.723 1.00 35.44 C ATOM 323 C HIS A 22 -12.446 -0.082 -1.817 1.00 31.22 C ATOM 324 O HIS A 22 -12.359 0.510 -0.741 1.00 31.22 O ATOM 325 CB HIS A 22 -10.340 -1.373 -2.210 1.00 4.34 C ATOM 326 CG HIS A 22 -10.861 -2.738 -2.537 1.00 33.03 C ATOM 327 ND1 HIS A 22 -10.823 -3.791 -1.647 1.00 61.35 N ATOM 328 CD2 HIS A 22 -11.438 -3.219 -3.663 1.00 24.21 C ATOM 329 CE1 HIS A 22 -11.351 -4.862 -2.213 1.00 55.32 C ATOM 330 NE2 HIS A 22 -11.733 -4.541 -3.437 1.00 22.15 N ATOM 0 H HIS A 22 -10.078 1.312 -1.905 1.00 52.14 H new ATOM 0 HA HIS A 22 -11.573 -0.484 -3.728 1.00 35.44 H new ATOM 0 HB2 HIS A 22 -9.342 -1.263 -2.635 1.00 4.34 H new ATOM 0 HB3 HIS A 22 -10.237 -1.282 -1.129 1.00 4.34 H new ATOM 0 HD2 HIS A 22 -11.631 -2.666 -4.570 1.00 24.21 H new ATOM 0 HE1 HIS A 22 -11.453 -5.834 -1.754 1.00 55.32 H new ATOM 0 HE2 HIS A 22 -12.175 -5.173 -4.105 1.00 22.15 H new ATOM 338 N ASP A 23 -13.579 -0.615 -2.260 1.00 35.14 N ATOM 339 CA ASP A 23 -14.815 -0.534 -1.489 1.00 22.31 C ATOM 340 C ASP A 23 -14.665 -1.244 -0.147 1.00 34.11 C ATOM 341 O ASP A 23 -15.388 -0.951 0.806 1.00 41.24 O ATOM 342 CB ASP A 23 -15.974 -1.146 -2.277 1.00 61.12 C ATOM 343 CG ASP A 23 -16.473 -0.230 -3.378 1.00 24.42 C ATOM 344 OD1 ASP A 23 -15.634 0.429 -4.027 1.00 63.23 O ATOM 345 OD2 ASP A 23 -17.702 -0.174 -3.590 1.00 43.33 O ATOM 0 H ASP A 23 -13.668 -1.108 -3.149 1.00 35.14 H new ATOM 0 HA ASP A 23 -15.029 0.518 -1.302 1.00 22.31 H new ATOM 0 HB2 ASP A 23 -15.654 -2.092 -2.713 1.00 61.12 H new ATOM 0 HB3 ASP A 23 -16.794 -1.371 -1.595 1.00 61.12 H new ATOM 350 N SER A 24 -13.724 -2.180 -0.080 1.00 2.13 N ATOM 351 CA SER A 24 -13.483 -2.935 1.144 1.00 22.41 C ATOM 352 C SER A 24 -12.545 -2.175 2.076 1.00 3.42 C ATOM 353 O SER A 24 -12.744 -2.150 3.290 1.00 32.03 O ATOM 354 CB SER A 24 -12.890 -4.307 0.814 1.00 54.43 C ATOM 355 OG SER A 24 -13.534 -4.883 -0.309 1.00 72.33 O ATOM 0 H SER A 24 -13.116 -2.434 -0.859 1.00 2.13 H new ATOM 0 HA SER A 24 -14.438 -3.072 1.651 1.00 22.41 H new ATOM 0 HB2 SER A 24 -11.823 -4.207 0.614 1.00 54.43 H new ATOM 0 HB3 SER A 24 -12.993 -4.968 1.675 1.00 54.43 H new ATOM 0 HG SER A 24 -13.252 -5.817 -0.405 1.00 72.33 H new ATOM 361 N MET A 25 -11.521 -1.555 1.498 1.00 21.02 N ATOM 362 CA MET A 25 -10.552 -0.792 2.276 1.00 22.25 C ATOM 363 C MET A 25 -11.164 0.511 2.781 1.00 33.50 C ATOM 364 O MET A 25 -12.353 0.766 2.587 1.00 31.33 O ATOM 365 CB MET A 25 -9.311 -0.493 1.433 1.00 2.13 C ATOM 366 CG MET A 25 -9.478 0.703 0.509 1.00 24.34 C ATOM 367 SD MET A 25 -7.921 1.229 -0.234 1.00 34.50 S ATOM 368 CE MET A 25 -7.512 -0.212 -1.216 1.00 65.11 C ATOM 0 H MET A 25 -11.341 -1.566 0.494 1.00 21.02 H new ATOM 0 HA MET A 25 -10.261 -1.394 3.137 1.00 22.25 H new ATOM 0 HB2 MET A 25 -8.465 -0.314 2.097 1.00 2.13 H new ATOM 0 HB3 MET A 25 -9.067 -1.372 0.836 1.00 2.13 H new ATOM 0 HG2 MET A 25 -10.186 0.451 -0.280 1.00 24.34 H new ATOM 0 HG3 MET A 25 -9.907 1.533 1.070 1.00 24.34 H new ATOM 0 HE1 MET A 25 -6.430 -0.282 -1.327 1.00 65.11 H new ATOM 0 HE2 MET A 25 -7.884 -1.108 -0.720 1.00 65.11 H new ATOM 0 HE3 MET A 25 -7.972 -0.124 -2.200 1.00 65.11 H new ATOM 378 N LYS A 26 -10.346 1.332 3.429 1.00 24.15 N ATOM 379 CA LYS A 26 -10.806 2.609 3.962 1.00 42.15 C ATOM 380 C LYS A 26 -9.980 3.762 3.399 1.00 32.13 C ATOM 381 O LYS A 26 -10.514 4.829 3.094 1.00 65.24 O ATOM 382 CB LYS A 26 -10.725 2.607 5.490 1.00 45.43 C ATOM 383 CG LYS A 26 -12.072 2.773 6.171 1.00 50.24 C ATOM 384 CD LYS A 26 -12.070 3.950 7.132 1.00 51.34 C ATOM 385 CE LYS A 26 -13.242 3.882 8.099 1.00 22.10 C ATOM 386 NZ LYS A 26 -13.789 5.233 8.404 1.00 24.14 N ATOM 0 H LYS A 26 -9.359 1.136 3.598 1.00 24.15 H new ATOM 0 HA LYS A 26 -11.844 2.748 3.661 1.00 42.15 H new ATOM 0 HB2 LYS A 26 -10.273 1.672 5.820 1.00 45.43 H new ATOM 0 HB3 LYS A 26 -10.063 3.411 5.811 1.00 45.43 H new ATOM 0 HG2 LYS A 26 -12.846 2.919 5.418 1.00 50.24 H new ATOM 0 HG3 LYS A 26 -12.322 1.861 6.712 1.00 50.24 H new ATOM 0 HD2 LYS A 26 -11.135 3.962 7.692 1.00 51.34 H new ATOM 0 HD3 LYS A 26 -12.116 4.882 6.568 1.00 51.34 H new ATOM 0 HE2 LYS A 26 -14.029 3.260 7.673 1.00 22.10 H new ATOM 0 HE3 LYS A 26 -12.922 3.402 9.024 1.00 22.10 H new ATOM 0 HZ1 LYS A 26 -14.723 5.137 8.850 1.00 24.14 H new ATOM 0 HZ2 LYS A 26 -13.145 5.730 9.052 1.00 24.14 H new ATOM 0 HZ3 LYS A 26 -13.881 5.777 7.523 1.00 24.14 H new ATOM 400 N TYR A 27 -8.678 3.540 3.264 1.00 24.22 N ATOM 401 CA TYR A 27 -7.779 4.561 2.739 1.00 24.32 C ATOM 402 C TYR A 27 -6.738 3.944 1.810 1.00 43.13 C ATOM 403 O TYR A 27 -6.330 2.796 1.990 1.00 64.14 O ATOM 404 CB TYR A 27 -7.083 5.296 3.886 1.00 61.01 C ATOM 405 CG TYR A 27 -6.672 6.709 3.538 1.00 23.22 C ATOM 406 CD1 TYR A 27 -7.620 7.665 3.197 1.00 54.02 C ATOM 407 CD2 TYR A 27 -5.335 7.087 3.550 1.00 10.40 C ATOM 408 CE1 TYR A 27 -7.249 8.957 2.878 1.00 55.04 C ATOM 409 CE2 TYR A 27 -4.955 8.377 3.234 1.00 52.32 C ATOM 410 CZ TYR A 27 -5.916 9.308 2.898 1.00 1.41 C ATOM 411 OH TYR A 27 -5.541 10.594 2.581 1.00 34.00 O ATOM 0 H TYR A 27 -8.221 2.662 3.511 1.00 24.22 H new ATOM 0 HA TYR A 27 -8.374 5.274 2.167 1.00 24.32 H new ATOM 0 HB2 TYR A 27 -7.750 5.322 4.748 1.00 61.01 H new ATOM 0 HB3 TYR A 27 -6.199 4.732 4.184 1.00 61.01 H new ATOM 0 HD1 TYR A 27 -8.665 7.394 3.181 1.00 54.02 H new ATOM 0 HD2 TYR A 27 -4.580 6.360 3.811 1.00 10.40 H new ATOM 0 HE1 TYR A 27 -7.999 9.688 2.614 1.00 55.04 H new ATOM 0 HE2 TYR A 27 -3.912 8.655 3.250 1.00 52.32 H new ATOM 0 HH TYR A 27 -5.222 11.050 3.388 1.00 34.00 H new ATOM 421 N LEU A 28 -6.311 4.715 0.816 1.00 55.24 N ATOM 422 CA LEU A 28 -5.317 4.247 -0.144 1.00 31.14 C ATOM 423 C LEU A 28 -4.123 5.195 -0.197 1.00 32.22 C ATOM 424 O LEU A 28 -4.281 6.399 -0.399 1.00 35.22 O ATOM 425 CB LEU A 28 -5.942 4.117 -1.534 1.00 11.22 C ATOM 426 CG LEU A 28 -4.963 4.061 -2.707 1.00 53.12 C ATOM 427 CD1 LEU A 28 -3.895 3.007 -2.461 1.00 50.02 C ATOM 428 CD2 LEU A 28 -5.704 3.780 -4.006 1.00 61.54 C ATOM 0 H LEU A 28 -6.638 5.668 0.654 1.00 55.24 H new ATOM 0 HA LEU A 28 -4.966 3.268 0.182 1.00 31.14 H new ATOM 0 HB2 LEU A 28 -6.553 3.214 -1.553 1.00 11.22 H new ATOM 0 HB3 LEU A 28 -6.615 4.960 -1.688 1.00 11.22 H new ATOM 0 HG LEU A 28 -4.473 5.031 -2.794 1.00 53.12 H new ATOM 0 HD11 LEU A 28 -3.207 2.982 -3.306 1.00 50.02 H new ATOM 0 HD12 LEU A 28 -3.345 3.252 -1.553 1.00 50.02 H new ATOM 0 HD13 LEU A 28 -4.367 2.031 -2.347 1.00 50.02 H new ATOM 0 HD21 LEU A 28 -4.992 3.744 -4.830 1.00 61.54 H new ATOM 0 HD22 LEU A 28 -6.221 2.823 -3.930 1.00 61.54 H new ATOM 0 HD23 LEU A 28 -6.431 4.572 -4.189 1.00 61.54 H new ATOM 440 N VAL A 29 -2.927 4.643 -0.016 1.00 74.12 N ATOM 441 CA VAL A 29 -1.706 5.438 -0.047 1.00 2.20 C ATOM 442 C VAL A 29 -0.599 4.716 -0.807 1.00 50.32 C ATOM 443 O VAL A 29 -0.197 3.612 -0.439 1.00 40.22 O ATOM 444 CB VAL A 29 -1.210 5.761 1.375 1.00 14.12 C ATOM 445 CG1 VAL A 29 0.119 6.498 1.323 1.00 2.12 C ATOM 446 CG2 VAL A 29 -2.251 6.575 2.130 1.00 71.34 C ATOM 0 H VAL A 29 -2.778 3.648 0.154 1.00 74.12 H new ATOM 0 HA VAL A 29 -1.948 6.369 -0.560 1.00 2.20 H new ATOM 0 HB VAL A 29 -1.057 4.823 1.909 1.00 14.12 H new ATOM 0 HG11 VAL A 29 0.453 6.718 2.337 1.00 2.12 H new ATOM 0 HG12 VAL A 29 0.861 5.875 0.823 1.00 2.12 H new ATOM 0 HG13 VAL A 29 -0.003 7.430 0.771 1.00 2.12 H new ATOM 0 HG21 VAL A 29 -1.884 6.794 3.133 1.00 71.34 H new ATOM 0 HG22 VAL A 29 -2.438 7.509 1.600 1.00 71.34 H new ATOM 0 HG23 VAL A 29 -3.178 6.006 2.199 1.00 71.34 H new ATOM 456 N TYR A 30 -0.110 5.347 -1.869 1.00 60.10 N ATOM 457 CA TYR A 30 0.950 4.764 -2.683 1.00 51.02 C ATOM 458 C TYR A 30 1.756 5.851 -3.387 1.00 64.02 C ATOM 459 O TYR A 30 1.269 6.961 -3.598 1.00 4.43 O ATOM 460 CB TYR A 30 0.358 3.803 -3.716 1.00 25.24 C ATOM 461 CG TYR A 30 -0.156 4.492 -4.959 1.00 75.32 C ATOM 462 CD1 TYR A 30 -1.428 5.050 -4.992 1.00 11.20 C ATOM 463 CD2 TYR A 30 0.630 4.585 -6.101 1.00 74.13 C ATOM 464 CE1 TYR A 30 -1.903 5.680 -6.126 1.00 62.23 C ATOM 465 CE2 TYR A 30 0.164 5.214 -7.240 1.00 13.04 C ATOM 466 CZ TYR A 30 -1.103 5.759 -7.247 1.00 51.33 C ATOM 467 OH TYR A 30 -1.572 6.387 -8.379 1.00 22.13 O ATOM 0 H TYR A 30 -0.431 6.262 -2.186 1.00 60.10 H new ATOM 0 HA TYR A 30 1.618 4.211 -2.023 1.00 51.02 H new ATOM 0 HB2 TYR A 30 1.119 3.076 -4.002 1.00 25.24 H new ATOM 0 HB3 TYR A 30 -0.458 3.246 -3.256 1.00 25.24 H new ATOM 0 HD1 TYR A 30 -2.056 4.990 -4.116 1.00 11.20 H new ATOM 0 HD2 TYR A 30 1.622 4.158 -6.099 1.00 74.13 H new ATOM 0 HE1 TYR A 30 -2.895 6.108 -6.135 1.00 62.23 H new ATOM 0 HE2 TYR A 30 0.788 5.278 -8.119 1.00 13.04 H new ATOM 0 HH TYR A 30 -0.886 6.357 -9.078 1.00 22.13 H new ATOM 477 N GLN A 31 2.992 5.521 -3.749 1.00 2.34 N ATOM 478 CA GLN A 31 3.867 6.469 -4.429 1.00 20.20 C ATOM 479 C GLN A 31 4.710 5.767 -5.489 1.00 2.24 C ATOM 480 O GLN A 31 4.936 4.558 -5.419 1.00 13.54 O ATOM 481 CB GLN A 31 4.777 7.171 -3.419 1.00 55.23 C ATOM 482 CG GLN A 31 4.085 7.505 -2.107 1.00 64.31 C ATOM 483 CD GLN A 31 4.893 8.457 -1.248 1.00 24.25 C ATOM 484 OE1 GLN A 31 5.597 9.328 -1.759 1.00 43.10 O ATOM 485 NE2 GLN A 31 4.796 8.296 0.067 1.00 62.50 N ATOM 0 H GLN A 31 3.410 4.605 -3.583 1.00 2.34 H new ATOM 0 HA GLN A 31 3.242 7.213 -4.922 1.00 20.20 H new ATOM 0 HB2 GLN A 31 5.638 6.535 -3.214 1.00 55.23 H new ATOM 0 HB3 GLN A 31 5.158 8.090 -3.863 1.00 55.23 H new ATOM 0 HG2 GLN A 31 3.111 7.948 -2.316 1.00 64.31 H new ATOM 0 HG3 GLN A 31 3.904 6.585 -1.551 1.00 64.31 H new ATOM 0 HE21 GLN A 31 4.200 7.561 0.448 1.00 62.50 H new ATOM 0 HE22 GLN A 31 5.317 8.908 0.695 1.00 62.50 H new ATOM 494 N THR A 32 5.174 6.533 -6.471 1.00 62.03 N ATOM 495 CA THR A 32 5.991 5.985 -7.547 1.00 21.03 C ATOM 496 C THR A 32 7.477 6.162 -7.254 1.00 34.25 C ATOM 497 O THR A 32 7.915 7.240 -6.854 1.00 20.33 O ATOM 498 CB THR A 32 5.663 6.651 -8.896 1.00 61.45 C ATOM 499 OG1 THR A 32 4.302 6.386 -9.255 1.00 63.03 O ATOM 500 CG2 THR A 32 6.589 6.141 -9.990 1.00 45.23 C ATOM 0 H THR A 32 4.998 7.535 -6.544 1.00 62.03 H new ATOM 0 HA THR A 32 5.760 4.922 -7.609 1.00 21.03 H new ATOM 0 HB THR A 32 5.808 7.726 -8.790 1.00 61.45 H new ATOM 0 HG1 THR A 32 4.125 5.425 -9.179 1.00 63.03 H new ATOM 0 HG21 THR A 32 6.339 6.625 -10.934 1.00 45.23 H new ATOM 0 HG22 THR A 32 7.622 6.369 -9.728 1.00 45.23 H new ATOM 0 HG23 THR A 32 6.471 5.062 -10.093 1.00 45.23 H new ATOM 508 N GLU A 33 8.246 5.097 -7.456 1.00 31.33 N ATOM 509 CA GLU A 33 9.683 5.136 -7.212 1.00 41.14 C ATOM 510 C GLU A 33 10.458 4.730 -8.463 1.00 31.12 C ATOM 511 O GLU A 33 9.932 4.037 -9.333 1.00 33.21 O ATOM 512 CB GLU A 33 10.051 4.213 -6.049 1.00 4.33 C ATOM 513 CG GLU A 33 10.028 4.902 -4.695 1.00 14.14 C ATOM 514 CD GLU A 33 9.820 3.930 -3.549 1.00 44.22 C ATOM 515 OE1 GLU A 33 9.595 2.732 -3.820 1.00 41.42 O ATOM 516 OE2 GLU A 33 9.884 4.368 -2.381 1.00 51.44 O ATOM 0 H GLU A 33 7.898 4.197 -7.788 1.00 31.33 H new ATOM 0 HA GLU A 33 9.954 6.160 -6.953 1.00 41.14 H new ATOM 0 HB2 GLU A 33 9.359 3.371 -6.031 1.00 4.33 H new ATOM 0 HB3 GLU A 33 11.046 3.803 -6.222 1.00 4.33 H new ATOM 0 HG2 GLU A 33 10.967 5.436 -4.547 1.00 14.14 H new ATOM 0 HG3 GLU A 33 9.232 5.647 -4.684 1.00 14.14 H new ATOM 523 N GLN A 34 11.710 5.167 -8.544 1.00 3.52 N ATOM 524 CA GLN A 34 12.557 4.851 -9.688 1.00 21.42 C ATOM 525 C GLN A 34 13.390 3.601 -9.419 1.00 51.52 C ATOM 526 O GLN A 34 14.008 3.470 -8.364 1.00 11.34 O ATOM 527 CB GLN A 34 13.476 6.030 -10.012 1.00 15.34 C ATOM 528 CG GLN A 34 13.416 6.466 -11.467 1.00 12.34 C ATOM 529 CD GLN A 34 14.709 6.195 -12.211 1.00 15.34 C ATOM 530 OE1 GLN A 34 15.505 5.348 -11.806 1.00 4.32 O ATOM 531 NE2 GLN A 34 14.924 6.915 -13.306 1.00 34.22 N ATOM 0 H GLN A 34 12.161 5.741 -7.831 1.00 3.52 H new ATOM 0 HA GLN A 34 11.910 4.659 -10.544 1.00 21.42 H new ATOM 0 HB2 GLN A 34 13.208 6.874 -9.377 1.00 15.34 H new ATOM 0 HB3 GLN A 34 14.502 5.759 -9.765 1.00 15.34 H new ATOM 0 HG2 GLN A 34 12.598 5.945 -11.965 1.00 12.34 H new ATOM 0 HG3 GLN A 34 13.191 7.531 -11.514 1.00 12.34 H new ATOM 0 HE21 GLN A 34 14.236 7.607 -13.605 1.00 34.22 H new ATOM 0 HE22 GLN A 34 15.777 6.776 -13.848 1.00 34.22 H new ATOM 540 N GLY A 35 13.401 2.685 -10.383 1.00 20.05 N ATOM 541 CA GLY A 35 14.160 1.458 -10.230 1.00 65.22 C ATOM 542 C GLY A 35 13.921 0.483 -11.366 1.00 20.11 C ATOM 543 O GLY A 35 13.285 0.826 -12.362 1.00 64.32 O ATOM 0 H GLY A 35 12.898 2.771 -11.266 1.00 20.05 H new ATOM 0 HA2 GLY A 35 15.222 1.696 -10.177 1.00 65.22 H new ATOM 0 HA3 GLY A 35 13.892 0.984 -9.286 1.00 65.22 H new ATOM 547 N GLU A 36 14.433 -0.735 -11.216 1.00 53.14 N ATOM 548 CA GLU A 36 14.272 -1.761 -12.240 1.00 24.00 C ATOM 549 C GLU A 36 14.491 -1.178 -13.633 1.00 70.43 C ATOM 550 O GLU A 36 15.134 -0.141 -13.790 1.00 24.20 O ATOM 551 CB GLU A 36 12.880 -2.389 -12.150 1.00 70.05 C ATOM 552 CG GLU A 36 11.761 -1.452 -12.573 1.00 2.42 C ATOM 553 CD GLU A 36 10.436 -2.167 -12.747 1.00 55.23 C ATOM 554 OE1 GLU A 36 10.442 -3.314 -13.242 1.00 15.25 O ATOM 555 OE2 GLU A 36 9.393 -1.580 -12.390 1.00 73.22 O ATOM 0 H GLU A 36 14.962 -1.035 -10.397 1.00 53.14 H new ATOM 0 HA GLU A 36 15.022 -2.533 -12.066 1.00 24.00 H new ATOM 0 HB2 GLU A 36 12.852 -3.281 -12.776 1.00 70.05 H new ATOM 0 HB3 GLU A 36 12.703 -2.714 -11.125 1.00 70.05 H new ATOM 0 HG2 GLU A 36 11.650 -0.665 -11.827 1.00 2.42 H new ATOM 0 HG3 GLU A 36 12.033 -0.967 -13.510 1.00 2.42 H new ATOM 562 N ALA A 37 13.951 -1.854 -14.642 1.00 71.32 N ATOM 563 CA ALA A 37 14.085 -1.404 -16.022 1.00 11.20 C ATOM 564 C ALA A 37 13.518 0.001 -16.198 1.00 64.03 C ATOM 565 O ALA A 37 13.207 0.682 -15.222 1.00 45.54 O ATOM 566 CB ALA A 37 13.392 -2.377 -16.964 1.00 53.44 C ATOM 0 H ALA A 37 13.417 -2.715 -14.529 1.00 71.32 H new ATOM 0 HA ALA A 37 15.147 -1.373 -16.267 1.00 11.20 H new ATOM 0 HB1 ALA A 37 13.500 -2.028 -17.991 1.00 53.44 H new ATOM 0 HB2 ALA A 37 13.845 -3.363 -16.866 1.00 53.44 H new ATOM 0 HB3 ALA A 37 12.334 -2.437 -16.711 1.00 53.44 H new ATOM 572 N GLY A 38 13.388 0.429 -17.451 1.00 35.45 N ATOM 573 CA GLY A 38 12.859 1.751 -17.731 1.00 64.14 C ATOM 574 C GLY A 38 11.551 2.017 -17.014 1.00 2.24 C ATOM 575 O GLY A 38 11.197 3.168 -16.762 1.00 52.12 O ATOM 0 H GLY A 38 13.639 -0.116 -18.276 1.00 35.45 H new ATOM 0 HA2 GLY A 38 13.591 2.502 -17.434 1.00 64.14 H new ATOM 0 HA3 GLY A 38 12.709 1.859 -18.805 1.00 64.14 H new ATOM 579 N ASN A 39 10.831 0.950 -16.684 1.00 73.03 N ATOM 580 CA ASN A 39 9.553 1.074 -15.993 1.00 55.31 C ATOM 581 C ASN A 39 9.756 1.528 -14.551 1.00 10.12 C ATOM 582 O ASN A 39 10.888 1.654 -14.083 1.00 40.10 O ATOM 583 CB ASN A 39 8.803 -0.259 -16.019 1.00 62.51 C ATOM 584 CG ASN A 39 8.807 -0.898 -17.395 1.00 20.14 C ATOM 585 OD1 ASN A 39 8.062 -0.487 -18.284 1.00 42.42 O ATOM 586 ND2 ASN A 39 9.648 -1.910 -17.575 1.00 2.33 N ATOM 0 H ASN A 39 11.111 -0.010 -16.884 1.00 73.03 H new ATOM 0 HA ASN A 39 8.960 1.827 -16.512 1.00 55.31 H new ATOM 0 HB2 ASN A 39 9.258 -0.943 -15.302 1.00 62.51 H new ATOM 0 HB3 ASN A 39 7.773 -0.100 -15.698 1.00 62.51 H new ATOM 0 HD21 ASN A 39 9.694 -2.380 -18.479 1.00 2.33 H new ATOM 0 HD22 ASN A 39 10.247 -2.217 -16.809 1.00 2.33 H new ATOM 593 N ILE A 40 8.653 1.771 -13.852 1.00 15.23 N ATOM 594 CA ILE A 40 8.710 2.209 -12.463 1.00 12.14 C ATOM 595 C ILE A 40 7.906 1.280 -11.560 1.00 33.14 C ATOM 596 O ILE A 40 7.131 0.450 -12.037 1.00 25.42 O ATOM 597 CB ILE A 40 8.180 3.647 -12.303 1.00 62.52 C ATOM 598 CG1 ILE A 40 7.176 3.969 -13.412 1.00 4.31 C ATOM 599 CG2 ILE A 40 9.332 4.640 -12.318 1.00 42.23 C ATOM 600 CD1 ILE A 40 6.509 5.317 -13.249 1.00 50.01 C ATOM 0 H ILE A 40 7.709 1.672 -14.225 1.00 15.23 H new ATOM 0 HA ILE A 40 9.759 2.182 -12.167 1.00 12.14 H new ATOM 0 HB ILE A 40 7.670 3.727 -11.343 1.00 62.52 H new ATOM 0 HG12 ILE A 40 7.687 3.939 -14.374 1.00 4.31 H new ATOM 0 HG13 ILE A 40 6.410 3.194 -13.434 1.00 4.31 H new ATOM 0 HG21 ILE A 40 8.942 5.651 -12.204 1.00 42.23 H new ATOM 0 HG22 ILE A 40 10.013 4.419 -11.496 1.00 42.23 H new ATOM 0 HG23 ILE A 40 9.867 4.562 -13.264 1.00 42.23 H new ATOM 0 HD11 ILE A 40 5.810 5.479 -14.070 1.00 50.01 H new ATOM 0 HD12 ILE A 40 5.969 5.344 -12.302 1.00 50.01 H new ATOM 0 HD13 ILE A 40 7.266 6.101 -13.257 1.00 50.01 H new ATOM 612 N HIS A 41 8.093 1.426 -10.252 1.00 1.52 N ATOM 613 CA HIS A 41 7.383 0.602 -9.281 1.00 20.34 C ATOM 614 C HIS A 41 6.650 1.470 -8.263 1.00 10.31 C ATOM 615 O HIS A 41 7.008 2.628 -8.047 1.00 42.43 O ATOM 616 CB HIS A 41 8.358 -0.332 -8.563 1.00 62.12 C ATOM 617 CG HIS A 41 9.655 0.322 -8.199 1.00 25.20 C ATOM 618 ND1 HIS A 41 9.932 1.593 -7.825 1.00 62.43 N flip ATOM 619 CD2 HIS A 41 10.861 -0.347 -8.197 1.00 32.13 C flip ATOM 620 CE1 HIS A 41 11.285 1.667 -7.605 1.00 53.30 C flip ATOM 621 NE2 HIS A 41 11.823 0.483 -7.836 1.00 3.52 N flip ATOM 0 H HIS A 41 8.731 2.108 -9.840 1.00 1.52 H new ATOM 0 HA HIS A 41 6.647 0.004 -9.819 1.00 20.34 H new ATOM 0 HB2 HIS A 41 7.885 -0.711 -7.657 1.00 62.12 H new ATOM 0 HB3 HIS A 41 8.561 -1.192 -9.201 1.00 62.12 H new ATOM 0 HD2 HIS A 41 10.998 -1.388 -8.451 1.00 32.13 H new ATOM 0 HE1 HIS A 41 11.823 2.550 -7.293 1.00 53.30 H new ATOM 0 HE2 HIS A 41 12.812 0.250 -7.750 1.00 3.52 H new ATOM 629 N PHE A 42 5.622 0.904 -7.640 1.00 75.14 N ATOM 630 CA PHE A 42 4.837 1.627 -6.647 1.00 12.24 C ATOM 631 C PHE A 42 5.179 1.157 -5.236 1.00 22.11 C ATOM 632 O PHE A 42 5.483 -0.016 -5.019 1.00 1.31 O ATOM 633 CB PHE A 42 3.342 1.438 -6.911 1.00 14.45 C ATOM 634 CG PHE A 42 2.898 1.961 -8.247 1.00 61.10 C ATOM 635 CD1 PHE A 42 3.505 3.074 -8.807 1.00 31.42 C ATOM 636 CD2 PHE A 42 1.874 1.340 -8.943 1.00 72.43 C ATOM 637 CE1 PHE A 42 3.099 3.557 -10.037 1.00 25.13 C ATOM 638 CE2 PHE A 42 1.464 1.818 -10.174 1.00 5.03 C ATOM 639 CZ PHE A 42 2.077 2.929 -10.720 1.00 61.34 C ATOM 0 H PHE A 42 5.313 -0.054 -7.805 1.00 75.14 H new ATOM 0 HA PHE A 42 5.082 2.686 -6.728 1.00 12.24 H new ATOM 0 HB2 PHE A 42 3.101 0.377 -6.847 1.00 14.45 H new ATOM 0 HB3 PHE A 42 2.776 1.941 -6.127 1.00 14.45 H new ATOM 0 HD1 PHE A 42 4.304 3.570 -8.276 1.00 31.42 H new ATOM 0 HD2 PHE A 42 1.390 0.472 -8.519 1.00 72.43 H new ATOM 0 HE1 PHE A 42 3.581 4.425 -10.463 1.00 25.13 H new ATOM 0 HE2 PHE A 42 0.666 1.324 -10.708 1.00 5.03 H new ATOM 0 HZ PHE A 42 1.757 3.306 -11.680 1.00 61.34 H new ATOM 649 N GLN A 43 5.128 2.081 -4.282 1.00 34.32 N ATOM 650 CA GLN A 43 5.433 1.761 -2.892 1.00 43.14 C ATOM 651 C GLN A 43 4.569 2.583 -1.942 1.00 31.01 C ATOM 652 O GLN A 43 4.444 3.797 -2.094 1.00 15.31 O ATOM 653 CB GLN A 43 6.914 2.014 -2.602 1.00 53.45 C ATOM 654 CG GLN A 43 7.732 0.741 -2.456 1.00 54.42 C ATOM 655 CD GLN A 43 7.546 0.080 -1.105 1.00 13.43 C ATOM 656 OE1 GLN A 43 6.967 -1.115 -1.105 1.00 35.23 O flip ATOM 657 NE2 GLN A 43 7.918 0.638 -0.072 1.00 24.04 N flip ATOM 0 H GLN A 43 4.879 3.056 -4.446 1.00 34.32 H new ATOM 0 HA GLN A 43 5.214 0.705 -2.732 1.00 43.14 H new ATOM 0 HB2 GLN A 43 7.335 2.616 -3.407 1.00 53.45 H new ATOM 0 HB3 GLN A 43 7.002 2.599 -1.687 1.00 53.45 H new ATOM 0 HG2 GLN A 43 7.449 0.040 -3.241 1.00 54.42 H new ATOM 0 HG3 GLN A 43 8.787 0.973 -2.601 1.00 54.42 H new ATOM 0 HE21 GLN A 43 8.359 1.557 -0.119 1.00 24.04 H new ATOM 0 HE22 GLN A 43 7.786 0.181 0.830 1.00 24.04 H new ATOM 666 N GLY A 44 3.974 1.912 -0.961 1.00 33.54 N ATOM 667 CA GLY A 44 3.128 2.596 0.000 1.00 70.12 C ATOM 668 C GLY A 44 2.423 1.637 0.938 1.00 30.15 C ATOM 669 O GLY A 44 2.737 0.447 0.972 1.00 20.12 O ATOM 0 H GLY A 44 4.063 0.907 -0.814 1.00 33.54 H new ATOM 0 HA2 GLY A 44 3.733 3.290 0.583 1.00 70.12 H new ATOM 0 HA3 GLY A 44 2.385 3.190 -0.533 1.00 70.12 H new ATOM 673 N TYR A 45 1.469 2.155 1.704 1.00 51.02 N ATOM 674 CA TYR A 45 0.720 1.337 2.651 1.00 43.23 C ATOM 675 C TYR A 45 -0.779 1.429 2.384 1.00 40.22 C ATOM 676 O TYR A 45 -1.293 2.489 2.024 1.00 4.03 O ATOM 677 CB TYR A 45 1.022 1.775 4.085 1.00 42.01 C ATOM 678 CG TYR A 45 0.521 3.163 4.412 1.00 11.44 C ATOM 679 CD1 TYR A 45 -0.798 3.375 4.794 1.00 74.31 C ATOM 680 CD2 TYR A 45 1.366 4.264 4.339 1.00 32.23 C ATOM 681 CE1 TYR A 45 -1.261 4.642 5.093 1.00 32.54 C ATOM 682 CE2 TYR A 45 0.912 5.534 4.638 1.00 21.24 C ATOM 683 CZ TYR A 45 -0.402 5.718 5.015 1.00 71.43 C ATOM 684 OH TYR A 45 -0.858 6.981 5.312 1.00 12.40 O ATOM 0 H TYR A 45 1.196 3.138 1.688 1.00 51.02 H new ATOM 0 HA TYR A 45 1.030 0.300 2.522 1.00 43.23 H new ATOM 0 HB2 TYR A 45 0.571 1.063 4.776 1.00 42.01 H new ATOM 0 HB3 TYR A 45 2.099 1.739 4.248 1.00 42.01 H new ATOM 0 HD1 TYR A 45 -1.473 2.535 4.858 1.00 74.31 H new ATOM 0 HD2 TYR A 45 2.395 4.124 4.043 1.00 32.23 H new ATOM 0 HE1 TYR A 45 -2.290 4.789 5.386 1.00 32.54 H new ATOM 0 HE2 TYR A 45 1.582 6.378 4.577 1.00 21.24 H new ATOM 0 HH TYR A 45 -0.127 7.625 5.209 1.00 12.40 H new ATOM 694 N ILE A 46 -1.475 0.312 2.563 1.00 22.42 N ATOM 695 CA ILE A 46 -2.915 0.265 2.344 1.00 50.51 C ATOM 696 C ILE A 46 -3.634 -0.351 3.539 1.00 3.54 C ATOM 697 O ILE A 46 -3.289 -1.443 3.987 1.00 24.43 O ATOM 698 CB ILE A 46 -3.266 -0.538 1.078 1.00 33.40 C ATOM 699 CG1 ILE A 46 -2.497 0.005 -0.128 1.00 12.43 C ATOM 700 CG2 ILE A 46 -4.765 -0.494 0.821 1.00 12.41 C ATOM 701 CD1 ILE A 46 -2.623 -0.857 -1.364 1.00 21.42 C ATOM 0 H ILE A 46 -1.065 -0.574 2.859 1.00 22.42 H new ATOM 0 HA ILE A 46 -3.248 1.295 2.215 1.00 50.51 H new ATOM 0 HB ILE A 46 -2.974 -1.577 1.233 1.00 33.40 H new ATOM 0 HG12 ILE A 46 -2.857 1.008 -0.356 1.00 12.43 H new ATOM 0 HG13 ILE A 46 -1.443 0.097 0.135 1.00 12.43 H new ATOM 0 HG21 ILE A 46 -4.997 -1.066 -0.077 1.00 12.41 H new ATOM 0 HG22 ILE A 46 -5.293 -0.925 1.672 1.00 12.41 H new ATOM 0 HG23 ILE A 46 -5.080 0.540 0.684 1.00 12.41 H new ATOM 0 HD11 ILE A 46 -2.052 -0.411 -2.179 1.00 21.42 H new ATOM 0 HD12 ILE A 46 -2.236 -1.854 -1.153 1.00 21.42 H new ATOM 0 HD13 ILE A 46 -3.672 -0.929 -1.652 1.00 21.42 H new ATOM 713 N GLU A 47 -4.636 0.358 4.050 1.00 1.11 N ATOM 714 CA GLU A 47 -5.404 -0.120 5.193 1.00 31.44 C ATOM 715 C GLU A 47 -6.763 -0.655 4.751 1.00 51.15 C ATOM 716 O GLU A 47 -7.569 0.073 4.171 1.00 31.35 O ATOM 717 CB GLU A 47 -5.594 1.003 6.215 1.00 62.02 C ATOM 718 CG GLU A 47 -4.291 1.636 6.673 1.00 64.23 C ATOM 719 CD GLU A 47 -4.466 3.074 7.121 1.00 32.43 C ATOM 720 OE1 GLU A 47 -4.392 3.976 6.261 1.00 2.12 O ATOM 721 OE2 GLU A 47 -4.678 3.296 8.332 1.00 43.54 O ATOM 0 H GLU A 47 -4.934 1.265 3.690 1.00 1.11 H new ATOM 0 HA GLU A 47 -4.846 -0.933 5.657 1.00 31.44 H new ATOM 0 HB2 GLU A 47 -6.230 1.774 5.781 1.00 62.02 H new ATOM 0 HB3 GLU A 47 -6.121 0.607 7.083 1.00 62.02 H new ATOM 0 HG2 GLU A 47 -3.877 1.051 7.494 1.00 64.23 H new ATOM 0 HG3 GLU A 47 -3.567 1.599 5.859 1.00 64.23 H new ATOM 728 N MET A 48 -7.009 -1.931 5.027 1.00 61.40 N ATOM 729 CA MET A 48 -8.270 -2.564 4.658 1.00 51.33 C ATOM 730 C MET A 48 -9.364 -2.224 5.665 1.00 51.41 C ATOM 731 O MET A 48 -9.131 -1.490 6.626 1.00 33.42 O ATOM 732 CB MET A 48 -8.097 -4.081 4.568 1.00 74.13 C ATOM 733 CG MET A 48 -7.251 -4.527 3.386 1.00 33.43 C ATOM 734 SD MET A 48 -8.226 -5.328 2.097 1.00 5.52 S ATOM 735 CE MET A 48 -8.768 -3.906 1.152 1.00 72.43 C ATOM 0 H MET A 48 -6.352 -2.547 5.505 1.00 61.40 H new ATOM 0 HA MET A 48 -8.568 -2.181 3.682 1.00 51.33 H new ATOM 0 HB2 MET A 48 -7.639 -4.441 5.489 1.00 74.13 H new ATOM 0 HB3 MET A 48 -9.080 -4.547 4.497 1.00 74.13 H new ATOM 0 HG2 MET A 48 -6.739 -3.662 2.964 1.00 33.43 H new ATOM 0 HG3 MET A 48 -6.481 -5.215 3.734 1.00 33.43 H new ATOM 0 HE1 MET A 48 -8.693 -4.127 0.087 1.00 72.43 H new ATOM 0 HE2 MET A 48 -9.803 -3.676 1.403 1.00 72.43 H new ATOM 0 HE3 MET A 48 -8.138 -3.049 1.390 1.00 72.43 H new ATOM 745 N LYS A 49 -10.558 -2.760 5.438 1.00 32.44 N ATOM 746 CA LYS A 49 -11.689 -2.515 6.326 1.00 63.10 C ATOM 747 C LYS A 49 -11.323 -2.830 7.773 1.00 43.21 C ATOM 748 O LYS A 49 -11.379 -1.960 8.642 1.00 14.40 O ATOM 749 CB LYS A 49 -12.892 -3.359 5.898 1.00 1.41 C ATOM 750 CG LYS A 49 -14.193 -2.578 5.843 1.00 14.42 C ATOM 751 CD LYS A 49 -15.203 -3.241 4.922 1.00 74.20 C ATOM 752 CE LYS A 49 -15.620 -4.608 5.444 1.00 14.51 C ATOM 753 NZ LYS A 49 -17.031 -4.612 5.922 1.00 2.11 N ATOM 0 H LYS A 49 -10.768 -3.368 4.646 1.00 32.44 H new ATOM 0 HA LYS A 49 -11.951 -1.459 6.257 1.00 63.10 H new ATOM 0 HB2 LYS A 49 -12.693 -3.788 4.916 1.00 1.41 H new ATOM 0 HB3 LYS A 49 -13.007 -4.192 6.592 1.00 1.41 H new ATOM 0 HG2 LYS A 49 -14.612 -2.497 6.846 1.00 14.42 H new ATOM 0 HG3 LYS A 49 -13.995 -1.563 5.497 1.00 14.42 H new ATOM 0 HD2 LYS A 49 -16.082 -2.604 4.825 1.00 74.20 H new ATOM 0 HD3 LYS A 49 -14.774 -3.346 3.925 1.00 74.20 H new ATOM 0 HE2 LYS A 49 -15.502 -5.350 4.654 1.00 14.51 H new ATOM 0 HE3 LYS A 49 -14.959 -4.903 6.259 1.00 14.51 H new ATOM 0 HZ1 LYS A 49 -17.277 -5.561 6.270 1.00 2.11 H new ATOM 0 HZ2 LYS A 49 -17.138 -3.922 6.693 1.00 2.11 H new ATOM 0 HZ3 LYS A 49 -17.664 -4.356 5.138 1.00 2.11 H new ATOM 767 N LYS A 50 -10.946 -4.079 8.025 1.00 43.22 N ATOM 768 CA LYS A 50 -10.567 -4.509 9.366 1.00 51.43 C ATOM 769 C LYS A 50 -10.179 -5.984 9.375 1.00 51.31 C ATOM 770 O LYS A 50 -9.000 -6.324 9.474 1.00 72.41 O ATOM 771 CB LYS A 50 -11.718 -4.267 10.345 1.00 51.11 C ATOM 772 CG LYS A 50 -11.422 -3.194 11.378 1.00 12.14 C ATOM 773 CD LYS A 50 -12.673 -2.798 12.145 1.00 51.33 C ATOM 774 CE LYS A 50 -13.105 -1.378 11.812 1.00 45.34 C ATOM 775 NZ LYS A 50 -13.932 -1.325 10.574 1.00 22.25 N ATOM 0 H LYS A 50 -10.895 -4.812 7.317 1.00 43.22 H new ATOM 0 HA LYS A 50 -9.703 -3.923 9.678 1.00 51.43 H new ATOM 0 HB2 LYS A 50 -12.608 -3.983 9.783 1.00 51.11 H new ATOM 0 HB3 LYS A 50 -11.949 -5.200 10.859 1.00 51.11 H new ATOM 0 HG2 LYS A 50 -10.667 -3.557 12.075 1.00 12.14 H new ATOM 0 HG3 LYS A 50 -11.004 -2.317 10.884 1.00 12.14 H new ATOM 0 HD2 LYS A 50 -13.481 -3.490 11.908 1.00 51.33 H new ATOM 0 HD3 LYS A 50 -12.486 -2.881 13.216 1.00 51.33 H new ATOM 0 HE2 LYS A 50 -13.673 -0.966 12.646 1.00 45.34 H new ATOM 0 HE3 LYS A 50 -12.223 -0.750 11.687 1.00 45.34 H new ATOM 0 HZ1 LYS A 50 -14.373 -0.387 10.491 1.00 22.25 H new ATOM 0 HZ2 LYS A 50 -13.328 -1.498 9.745 1.00 22.25 H new ATOM 0 HZ3 LYS A 50 -14.673 -2.053 10.620 1.00 22.25 H new ATOM 789 N ARG A 51 -11.178 -6.854 9.270 1.00 63.31 N ATOM 790 CA ARG A 51 -10.940 -8.293 9.266 1.00 51.31 C ATOM 791 C ARG A 51 -10.712 -8.802 7.846 1.00 64.12 C ATOM 792 O ARG A 51 -11.305 -9.797 7.428 1.00 62.20 O ATOM 793 CB ARG A 51 -12.123 -9.028 9.899 1.00 63.21 C ATOM 794 CG ARG A 51 -11.781 -10.428 10.383 1.00 1.10 C ATOM 795 CD ARG A 51 -12.897 -11.413 10.072 1.00 11.24 C ATOM 796 NE ARG A 51 -12.442 -12.798 10.149 1.00 24.31 N ATOM 797 CZ ARG A 51 -12.323 -13.471 11.288 1.00 34.04 C ATOM 798 NH1 ARG A 51 -12.626 -12.889 12.440 1.00 0.34 N ATOM 799 NH2 ARG A 51 -11.902 -14.729 11.277 1.00 72.23 N ATOM 0 H ARG A 51 -12.159 -6.588 9.187 1.00 63.31 H new ATOM 0 HA ARG A 51 -10.043 -8.490 9.852 1.00 51.31 H new ATOM 0 HB2 ARG A 51 -12.496 -8.443 10.740 1.00 63.21 H new ATOM 0 HB3 ARG A 51 -12.932 -9.092 9.171 1.00 63.21 H new ATOM 0 HG2 ARG A 51 -10.857 -10.762 9.910 1.00 1.10 H new ATOM 0 HG3 ARG A 51 -11.600 -10.409 11.458 1.00 1.10 H new ATOM 0 HD2 ARG A 51 -13.719 -11.262 10.772 1.00 11.24 H new ATOM 0 HD3 ARG A 51 -13.288 -11.215 9.074 1.00 11.24 H new ATOM 0 HE ARG A 51 -12.202 -13.275 9.280 1.00 24.31 H new ATOM 0 HH11 ARG A 51 -12.951 -11.922 12.453 1.00 0.34 H new ATOM 0 HH12 ARG A 51 -12.534 -13.408 13.313 1.00 0.34 H new ATOM 0 HH21 ARG A 51 -11.669 -15.181 10.393 1.00 72.23 H new ATOM 0 HH22 ARG A 51 -11.811 -15.244 12.153 1.00 72.23 H new ATOM 813 N THR A 52 -9.848 -8.113 7.107 1.00 43.40 N ATOM 814 CA THR A 52 -9.542 -8.493 5.734 1.00 60.32 C ATOM 815 C THR A 52 -8.127 -9.049 5.619 1.00 1.53 C ATOM 816 O THR A 52 -7.150 -8.336 5.851 1.00 61.52 O ATOM 817 CB THR A 52 -9.692 -7.299 4.773 1.00 2.30 C ATOM 818 OG1 THR A 52 -10.569 -6.320 5.342 1.00 43.25 O ATOM 819 CG2 THR A 52 -10.235 -7.752 3.426 1.00 20.34 C ATOM 0 H THR A 52 -9.347 -7.288 7.437 1.00 43.40 H new ATOM 0 HA THR A 52 -10.257 -9.267 5.454 1.00 60.32 H new ATOM 0 HB THR A 52 -8.707 -6.859 4.619 1.00 2.30 H new ATOM 0 HG1 THR A 52 -10.912 -5.736 4.633 1.00 43.25 H new ATOM 0 HG21 THR A 52 -10.332 -6.891 2.765 1.00 20.34 H new ATOM 0 HG22 THR A 52 -9.551 -8.475 2.982 1.00 20.34 H new ATOM 0 HG23 THR A 52 -11.212 -8.215 3.565 1.00 20.34 H new ATOM 827 N SER A 53 -8.024 -10.324 5.260 1.00 21.12 N ATOM 828 CA SER A 53 -6.727 -10.976 5.118 1.00 53.12 C ATOM 829 C SER A 53 -6.048 -10.556 3.818 1.00 3.52 C ATOM 830 O SER A 53 -6.593 -9.767 3.045 1.00 14.34 O ATOM 831 CB SER A 53 -6.891 -12.497 5.152 1.00 3.35 C ATOM 832 OG SER A 53 -8.098 -12.894 4.525 1.00 24.34 O ATOM 0 H SER A 53 -8.823 -10.927 5.062 1.00 21.12 H new ATOM 0 HA SER A 53 -6.099 -10.666 5.953 1.00 53.12 H new ATOM 0 HB2 SER A 53 -6.045 -12.968 4.651 1.00 3.35 H new ATOM 0 HB3 SER A 53 -6.883 -12.844 6.185 1.00 3.35 H new ATOM 0 HG SER A 53 -8.178 -13.870 4.558 1.00 24.34 H new ATOM 838 N LEU A 54 -4.853 -11.088 3.584 1.00 53.33 N ATOM 839 CA LEU A 54 -4.097 -10.769 2.378 1.00 51.24 C ATOM 840 C LEU A 54 -4.947 -10.984 1.129 1.00 23.23 C ATOM 841 O LEU A 54 -4.767 -10.305 0.119 1.00 4.11 O ATOM 842 CB LEU A 54 -2.833 -11.627 2.303 1.00 72.24 C ATOM 843 CG LEU A 54 -1.890 -11.333 1.136 1.00 51.44 C ATOM 844 CD1 LEU A 54 -1.275 -9.950 1.283 1.00 41.45 C ATOM 845 CD2 LEU A 54 -0.804 -12.395 1.046 1.00 1.35 C ATOM 0 H LEU A 54 -4.387 -11.742 4.213 1.00 53.33 H new ATOM 0 HA LEU A 54 -3.813 -9.718 2.425 1.00 51.24 H new ATOM 0 HB2 LEU A 54 -2.278 -11.502 3.233 1.00 72.24 H new ATOM 0 HB3 LEU A 54 -3.131 -12.674 2.248 1.00 72.24 H new ATOM 0 HG LEU A 54 -2.468 -11.355 0.212 1.00 51.44 H new ATOM 0 HD11 LEU A 54 -0.607 -9.758 0.444 1.00 41.45 H new ATOM 0 HD12 LEU A 54 -2.066 -9.200 1.296 1.00 41.45 H new ATOM 0 HD13 LEU A 54 -0.711 -9.900 2.215 1.00 41.45 H new ATOM 0 HD21 LEU A 54 -0.143 -12.169 0.210 1.00 1.35 H new ATOM 0 HD22 LEU A 54 -0.228 -12.406 1.971 1.00 1.35 H new ATOM 0 HD23 LEU A 54 -1.262 -13.372 0.892 1.00 1.35 H new ATOM 857 N ALA A 55 -5.874 -11.933 1.208 1.00 54.44 N ATOM 858 CA ALA A 55 -6.755 -12.235 0.086 1.00 42.52 C ATOM 859 C ALA A 55 -7.476 -10.981 -0.399 1.00 21.32 C ATOM 860 O ALA A 55 -7.760 -10.837 -1.587 1.00 61.11 O ATOM 861 CB ALA A 55 -7.761 -13.306 0.478 1.00 20.31 C ATOM 0 H ALA A 55 -6.034 -12.506 2.037 1.00 54.44 H new ATOM 0 HA ALA A 55 -6.143 -12.610 -0.734 1.00 42.52 H new ATOM 0 HB1 ALA A 55 -8.412 -13.521 -0.369 1.00 20.31 H new ATOM 0 HB2 ALA A 55 -7.232 -14.213 0.769 1.00 20.31 H new ATOM 0 HB3 ALA A 55 -8.361 -12.952 1.316 1.00 20.31 H new ATOM 867 N GLY A 56 -7.770 -10.077 0.530 1.00 13.32 N ATOM 868 CA GLY A 56 -8.457 -8.848 0.178 1.00 42.34 C ATOM 869 C GLY A 56 -7.584 -7.907 -0.630 1.00 32.23 C ATOM 870 O GLY A 56 -8.023 -7.355 -1.638 1.00 40.01 O ATOM 0 H GLY A 56 -7.545 -10.174 1.520 1.00 13.32 H new ATOM 0 HA2 GLY A 56 -9.354 -9.087 -0.393 1.00 42.34 H new ATOM 0 HA3 GLY A 56 -8.784 -8.344 1.088 1.00 42.34 H new ATOM 874 N MET A 57 -6.346 -7.723 -0.185 1.00 24.24 N ATOM 875 CA MET A 57 -5.410 -6.842 -0.873 1.00 65.12 C ATOM 876 C MET A 57 -4.939 -7.466 -2.183 1.00 50.02 C ATOM 877 O MET A 57 -4.947 -6.818 -3.230 1.00 13.31 O ATOM 878 CB MET A 57 -4.207 -6.541 0.023 1.00 45.43 C ATOM 879 CG MET A 57 -4.578 -5.865 1.333 1.00 75.33 C ATOM 880 SD MET A 57 -4.400 -4.072 1.265 1.00 20.40 S ATOM 881 CE MET A 57 -5.722 -3.643 0.135 1.00 3.10 C ATOM 0 H MET A 57 -5.967 -8.172 0.649 1.00 24.24 H new ATOM 0 HA MET A 57 -5.927 -5.910 -1.100 1.00 65.12 H new ATOM 0 HB2 MET A 57 -3.684 -7.472 0.240 1.00 45.43 H new ATOM 0 HB3 MET A 57 -3.510 -5.903 -0.521 1.00 45.43 H new ATOM 0 HG2 MET A 57 -5.608 -6.114 1.587 1.00 75.33 H new ATOM 0 HG3 MET A 57 -3.949 -6.259 2.131 1.00 75.33 H new ATOM 0 HE1 MET A 57 -6.238 -2.755 0.499 1.00 3.10 H new ATOM 0 HE2 MET A 57 -5.306 -3.442 -0.852 1.00 3.10 H new ATOM 0 HE3 MET A 57 -6.428 -4.471 0.069 1.00 3.10 H new ATOM 891 N LYS A 58 -4.529 -8.728 -2.119 1.00 22.14 N ATOM 892 CA LYS A 58 -4.055 -9.441 -3.299 1.00 53.33 C ATOM 893 C LYS A 58 -5.132 -9.481 -4.379 1.00 35.45 C ATOM 894 O LYS A 58 -4.831 -9.582 -5.568 1.00 21.10 O ATOM 895 CB LYS A 58 -3.637 -10.865 -2.927 1.00 72.01 C ATOM 896 CG LYS A 58 -2.390 -11.342 -3.652 1.00 14.13 C ATOM 897 CD LYS A 58 -1.356 -11.888 -2.682 1.00 33.13 C ATOM 898 CE LYS A 58 -1.851 -13.150 -1.992 1.00 30.21 C ATOM 899 NZ LYS A 58 -0.745 -14.115 -1.742 1.00 30.53 N ATOM 0 H LYS A 58 -4.515 -9.279 -1.261 1.00 22.14 H new ATOM 0 HA LYS A 58 -3.190 -8.907 -3.692 1.00 53.33 H new ATOM 0 HB2 LYS A 58 -3.463 -10.915 -1.852 1.00 72.01 H new ATOM 0 HB3 LYS A 58 -4.459 -11.546 -3.149 1.00 72.01 H new ATOM 0 HG2 LYS A 58 -2.660 -12.115 -4.371 1.00 14.13 H new ATOM 0 HG3 LYS A 58 -1.959 -10.516 -4.218 1.00 14.13 H new ATOM 0 HD2 LYS A 58 -0.431 -12.104 -3.217 1.00 33.13 H new ATOM 0 HD3 LYS A 58 -1.122 -11.131 -1.934 1.00 33.13 H new ATOM 0 HE2 LYS A 58 -2.323 -12.885 -1.046 1.00 30.21 H new ATOM 0 HE3 LYS A 58 -2.615 -13.625 -2.608 1.00 30.21 H new ATOM 0 HZ1 LYS A 58 -1.041 -14.803 -1.021 1.00 30.53 H new ATOM 0 HZ2 LYS A 58 -0.515 -14.615 -2.624 1.00 30.53 H new ATOM 0 HZ3 LYS A 58 0.095 -13.601 -1.406 1.00 30.53 H new ATOM 913 N LYS A 59 -6.390 -9.401 -3.956 1.00 42.05 N ATOM 914 CA LYS A 59 -7.513 -9.426 -4.886 1.00 44.44 C ATOM 915 C LYS A 59 -7.461 -8.231 -5.833 1.00 54.30 C ATOM 916 O LYS A 59 -7.881 -8.322 -6.987 1.00 55.34 O ATOM 917 CB LYS A 59 -8.837 -9.426 -4.119 1.00 42.33 C ATOM 918 CG LYS A 59 -10.060 -9.372 -5.018 1.00 32.51 C ATOM 919 CD LYS A 59 -11.323 -9.756 -4.264 1.00 63.33 C ATOM 920 CE LYS A 59 -12.499 -8.880 -4.665 1.00 53.14 C ATOM 921 NZ LYS A 59 -13.787 -9.400 -4.128 1.00 1.14 N ATOM 0 H LYS A 59 -6.657 -9.318 -2.975 1.00 42.05 H new ATOM 0 HA LYS A 59 -7.443 -10.339 -5.477 1.00 44.44 H new ATOM 0 HB2 LYS A 59 -8.890 -10.323 -3.501 1.00 42.33 H new ATOM 0 HB3 LYS A 59 -8.856 -8.571 -3.443 1.00 42.33 H new ATOM 0 HG2 LYS A 59 -10.169 -8.367 -5.425 1.00 32.51 H new ATOM 0 HG3 LYS A 59 -9.921 -10.045 -5.864 1.00 32.51 H new ATOM 0 HD2 LYS A 59 -11.562 -10.801 -4.461 1.00 63.33 H new ATOM 0 HD3 LYS A 59 -11.150 -9.666 -3.192 1.00 63.33 H new ATOM 0 HE2 LYS A 59 -12.337 -7.866 -4.301 1.00 53.14 H new ATOM 0 HE3 LYS A 59 -12.555 -8.823 -5.752 1.00 53.14 H new ATOM 0 HZ1 LYS A 59 -14.564 -8.775 -4.423 1.00 1.14 H new ATOM 0 HZ2 LYS A 59 -13.955 -10.358 -4.496 1.00 1.14 H new ATOM 0 HZ3 LYS A 59 -13.743 -9.430 -3.089 1.00 1.14 H new ATOM 935 N LEU A 60 -6.943 -7.112 -5.339 1.00 13.15 N ATOM 936 CA LEU A 60 -6.836 -5.899 -6.141 1.00 44.52 C ATOM 937 C LEU A 60 -5.609 -5.952 -7.047 1.00 12.34 C ATOM 938 O LEU A 60 -5.653 -5.507 -8.194 1.00 50.10 O ATOM 939 CB LEU A 60 -6.761 -4.669 -5.235 1.00 14.43 C ATOM 940 CG LEU A 60 -8.079 -4.221 -4.602 1.00 14.03 C ATOM 941 CD1 LEU A 60 -8.379 -5.041 -3.357 1.00 32.05 C ATOM 942 CD2 LEU A 60 -8.033 -2.737 -4.267 1.00 75.21 C ATOM 0 H LEU A 60 -6.590 -7.020 -4.386 1.00 13.15 H new ATOM 0 HA LEU A 60 -7.725 -5.828 -6.767 1.00 44.52 H new ATOM 0 HB2 LEU A 60 -6.048 -4.874 -4.436 1.00 14.43 H new ATOM 0 HB3 LEU A 60 -6.359 -3.839 -5.816 1.00 14.43 H new ATOM 0 HG LEU A 60 -8.880 -4.386 -5.323 1.00 14.03 H new ATOM 0 HD11 LEU A 60 -9.321 -4.708 -2.920 1.00 32.05 H new ATOM 0 HD12 LEU A 60 -8.456 -6.095 -3.625 1.00 32.05 H new ATOM 0 HD13 LEU A 60 -7.576 -4.909 -2.632 1.00 32.05 H new ATOM 0 HD21 LEU A 60 -8.979 -2.436 -3.817 1.00 75.21 H new ATOM 0 HD22 LEU A 60 -7.221 -2.548 -3.565 1.00 75.21 H new ATOM 0 HD23 LEU A 60 -7.866 -2.163 -5.179 1.00 75.21 H new ATOM 954 N ILE A 61 -4.518 -6.500 -6.524 1.00 24.11 N ATOM 955 CA ILE A 61 -3.281 -6.614 -7.286 1.00 64.23 C ATOM 956 C ILE A 61 -2.628 -7.976 -7.074 1.00 5.32 C ATOM 957 O ILE A 61 -1.623 -8.108 -6.374 1.00 42.45 O ATOM 958 CB ILE A 61 -2.278 -5.511 -6.901 1.00 2.41 C ATOM 959 CG1 ILE A 61 -2.922 -4.131 -7.052 1.00 2.14 C ATOM 960 CG2 ILE A 61 -1.024 -5.612 -7.756 1.00 62.23 C ATOM 961 CD1 ILE A 61 -3.545 -3.612 -5.774 1.00 64.04 C ATOM 0 H ILE A 61 -4.465 -6.872 -5.576 1.00 24.11 H new ATOM 0 HA ILE A 61 -3.547 -6.501 -8.337 1.00 64.23 H new ATOM 0 HB ILE A 61 -1.994 -5.647 -5.857 1.00 2.41 H new ATOM 0 HG12 ILE A 61 -2.167 -3.422 -7.393 1.00 2.14 H new ATOM 0 HG13 ILE A 61 -3.687 -4.179 -7.827 1.00 2.14 H new ATOM 0 HG21 ILE A 61 -0.325 -4.825 -7.471 1.00 62.23 H new ATOM 0 HG22 ILE A 61 -0.557 -6.585 -7.603 1.00 62.23 H new ATOM 0 HG23 ILE A 61 -1.290 -5.498 -8.807 1.00 62.23 H new ATOM 0 HD11 ILE A 61 -3.982 -2.630 -5.955 1.00 64.04 H new ATOM 0 HD12 ILE A 61 -4.323 -4.300 -5.443 1.00 64.04 H new ATOM 0 HD13 ILE A 61 -2.779 -3.532 -5.002 1.00 64.04 H new ATOM 973 N PRO A 62 -3.209 -9.014 -7.692 1.00 52.04 N ATOM 974 CA PRO A 62 -2.699 -10.384 -7.588 1.00 73.41 C ATOM 975 C PRO A 62 -1.373 -10.567 -8.318 1.00 41.50 C ATOM 976 O PRO A 62 -1.333 -10.637 -9.546 1.00 34.24 O ATOM 977 CB PRO A 62 -3.795 -11.222 -8.253 1.00 2.04 C ATOM 978 CG PRO A 62 -4.471 -10.284 -9.192 1.00 70.32 C ATOM 979 CD PRO A 62 -4.409 -8.930 -8.542 1.00 11.02 C ATOM 0 HA PRO A 62 -2.495 -10.665 -6.555 1.00 73.41 H new ATOM 0 HB2 PRO A 62 -3.374 -12.077 -8.782 1.00 2.04 H new ATOM 0 HB3 PRO A 62 -4.494 -11.616 -7.516 1.00 2.04 H new ATOM 0 HG2 PRO A 62 -3.972 -10.275 -10.161 1.00 70.32 H new ATOM 0 HG3 PRO A 62 -5.504 -10.585 -9.368 1.00 70.32 H new ATOM 0 HD2 PRO A 62 -4.323 -8.133 -9.281 1.00 11.02 H new ATOM 0 HD3 PRO A 62 -5.304 -8.725 -7.955 1.00 11.02 H new ATOM 987 N GLY A 63 -0.287 -10.642 -7.554 1.00 34.42 N ATOM 988 CA GLY A 63 1.026 -10.816 -8.146 1.00 20.01 C ATOM 989 C GLY A 63 2.029 -9.797 -7.642 1.00 33.25 C ATOM 990 O GLY A 63 2.907 -9.361 -8.384 1.00 42.44 O ATOM 0 H GLY A 63 -0.294 -10.585 -6.536 1.00 34.42 H new ATOM 0 HA2 GLY A 63 1.390 -11.819 -7.926 1.00 20.01 H new ATOM 0 HA3 GLY A 63 0.946 -10.737 -9.230 1.00 20.01 H new ATOM 994 N ALA A 64 1.897 -9.416 -6.375 1.00 74.12 N ATOM 995 CA ALA A 64 2.799 -8.443 -5.772 1.00 54.34 C ATOM 996 C ALA A 64 3.308 -8.930 -4.420 1.00 61.13 C ATOM 997 O ALA A 64 2.824 -9.928 -3.886 1.00 35.20 O ATOM 998 CB ALA A 64 2.101 -7.099 -5.622 1.00 50.24 C ATOM 0 H ALA A 64 1.174 -9.767 -5.747 1.00 74.12 H new ATOM 0 HA ALA A 64 3.658 -8.323 -6.432 1.00 54.34 H new ATOM 0 HB1 ALA A 64 2.786 -6.382 -5.170 1.00 50.24 H new ATOM 0 HB2 ALA A 64 1.792 -6.738 -6.603 1.00 50.24 H new ATOM 0 HB3 ALA A 64 1.224 -7.214 -4.985 1.00 50.24 H new ATOM 1004 N HIS A 65 4.289 -8.220 -3.872 1.00 30.23 N ATOM 1005 CA HIS A 65 4.864 -8.581 -2.581 1.00 24.21 C ATOM 1006 C HIS A 65 4.193 -7.807 -1.451 1.00 12.40 C ATOM 1007 O HIS A 65 4.357 -6.592 -1.334 1.00 1.00 O ATOM 1008 CB HIS A 65 6.369 -8.311 -2.576 1.00 43.11 C ATOM 1009 CG HIS A 65 7.111 -9.072 -1.521 1.00 1.33 C ATOM 1010 ND1 HIS A 65 7.890 -8.462 -0.560 1.00 43.45 N ATOM 1011 CD2 HIS A 65 7.188 -10.401 -1.277 1.00 1.13 C ATOM 1012 CE1 HIS A 65 8.416 -9.383 0.227 1.00 12.44 C ATOM 1013 NE2 HIS A 65 8.005 -10.568 -0.186 1.00 11.05 N ATOM 0 H HIS A 65 4.702 -7.392 -4.301 1.00 30.23 H new ATOM 0 HA HIS A 65 4.692 -9.645 -2.420 1.00 24.21 H new ATOM 0 HB2 HIS A 65 6.779 -8.567 -3.553 1.00 43.11 H new ATOM 0 HB3 HIS A 65 6.538 -7.244 -2.429 1.00 43.11 H new ATOM 0 HD2 HIS A 65 6.698 -11.184 -1.836 1.00 1.13 H new ATOM 0 HE1 HIS A 65 9.071 -9.198 1.066 1.00 12.44 H new ATOM 0 HE2 HIS A 65 8.254 -11.462 0.237 1.00 11.05 H new ATOM 1021 N PHE A 66 3.435 -8.517 -0.622 1.00 4.13 N ATOM 1022 CA PHE A 66 2.737 -7.896 0.498 1.00 43.21 C ATOM 1023 C PHE A 66 3.325 -8.357 1.828 1.00 0.15 C ATOM 1024 O PHE A 66 3.970 -9.402 1.904 1.00 31.14 O ATOM 1025 CB PHE A 66 1.245 -8.229 0.444 1.00 51.21 C ATOM 1026 CG PHE A 66 0.419 -7.174 -0.235 1.00 44.42 C ATOM 1027 CD1 PHE A 66 0.388 -7.083 -1.617 1.00 74.24 C ATOM 1028 CD2 PHE A 66 -0.324 -6.272 0.509 1.00 53.22 C ATOM 1029 CE1 PHE A 66 -0.371 -6.114 -2.246 1.00 13.45 C ATOM 1030 CE2 PHE A 66 -1.085 -5.300 -0.114 1.00 32.53 C ATOM 1031 CZ PHE A 66 -1.108 -5.220 -1.492 1.00 62.44 C ATOM 0 H PHE A 66 3.288 -9.523 -0.705 1.00 4.13 H new ATOM 0 HA PHE A 66 2.864 -6.816 0.420 1.00 43.21 H new ATOM 0 HB2 PHE A 66 1.111 -9.176 -0.079 1.00 51.21 H new ATOM 0 HB3 PHE A 66 0.876 -8.370 1.460 1.00 51.21 H new ATOM 0 HD1 PHE A 66 0.964 -7.778 -2.210 1.00 74.24 H new ATOM 0 HD2 PHE A 66 -0.309 -6.329 1.587 1.00 53.22 H new ATOM 0 HE1 PHE A 66 -0.388 -6.055 -3.324 1.00 13.45 H new ATOM 0 HE2 PHE A 66 -1.661 -4.604 0.477 1.00 32.53 H new ATOM 0 HZ PHE A 66 -1.701 -4.460 -1.980 1.00 62.44 H new ATOM 1041 N GLU A 67 3.097 -7.568 2.874 1.00 22.42 N ATOM 1042 CA GLU A 67 3.605 -7.895 4.201 1.00 3.04 C ATOM 1043 C GLU A 67 2.710 -7.306 5.287 1.00 14.42 C ATOM 1044 O GLU A 67 2.639 -6.088 5.457 1.00 24.25 O ATOM 1045 CB GLU A 67 5.035 -7.375 4.367 1.00 70.34 C ATOM 1046 CG GLU A 67 6.086 -8.473 4.364 1.00 53.22 C ATOM 1047 CD GLU A 67 7.499 -7.927 4.302 1.00 61.25 C ATOM 1048 OE1 GLU A 67 7.738 -6.990 3.511 1.00 3.04 O ATOM 1049 OE2 GLU A 67 8.366 -8.437 5.042 1.00 13.11 O ATOM 0 H GLU A 67 2.565 -6.699 2.828 1.00 22.42 H new ATOM 0 HA GLU A 67 3.606 -8.980 4.304 1.00 3.04 H new ATOM 0 HB2 GLU A 67 5.253 -6.673 3.562 1.00 70.34 H new ATOM 0 HB3 GLU A 67 5.104 -6.820 5.302 1.00 70.34 H new ATOM 0 HG2 GLU A 67 5.974 -9.080 5.262 1.00 53.22 H new ATOM 0 HG3 GLU A 67 5.917 -9.131 3.511 1.00 53.22 H new ATOM 1056 N LYS A 68 2.025 -8.178 6.019 1.00 4.04 N ATOM 1057 CA LYS A 68 1.134 -7.747 7.090 1.00 40.43 C ATOM 1058 C LYS A 68 1.751 -8.023 8.457 1.00 65.43 C ATOM 1059 O LYS A 68 1.052 -8.053 9.470 1.00 42.35 O ATOM 1060 CB LYS A 68 -0.216 -8.458 6.975 1.00 51.14 C ATOM 1061 CG LYS A 68 -1.324 -7.793 7.773 1.00 1.01 C ATOM 1062 CD LYS A 68 -2.354 -8.805 8.248 1.00 43.54 C ATOM 1063 CE LYS A 68 -1.983 -9.382 9.605 1.00 32.11 C ATOM 1064 NZ LYS A 68 -2.921 -10.461 10.023 1.00 4.03 N ATOM 0 H LYS A 68 2.070 -9.189 5.890 1.00 4.04 H new ATOM 0 HA LYS A 68 0.982 -6.672 6.991 1.00 40.43 H new ATOM 0 HB2 LYS A 68 -0.508 -8.497 5.926 1.00 51.14 H new ATOM 0 HB3 LYS A 68 -0.104 -9.488 7.313 1.00 51.14 H new ATOM 0 HG2 LYS A 68 -0.896 -7.278 8.633 1.00 1.01 H new ATOM 0 HG3 LYS A 68 -1.812 -7.036 7.159 1.00 1.01 H new ATOM 0 HD2 LYS A 68 -3.332 -8.329 8.309 1.00 43.54 H new ATOM 0 HD3 LYS A 68 -2.437 -9.611 7.519 1.00 43.54 H new ATOM 0 HE2 LYS A 68 -0.968 -9.778 9.566 1.00 32.11 H new ATOM 0 HE3 LYS A 68 -1.987 -8.587 10.351 1.00 32.11 H new ATOM 0 HZ1 LYS A 68 -2.635 -10.829 10.953 1.00 4.03 H new ATOM 0 HZ2 LYS A 68 -3.886 -10.078 10.084 1.00 4.03 H new ATOM 0 HZ3 LYS A 68 -2.898 -11.231 9.324 1.00 4.03 H new ATOM 1078 N ARG A 69 3.065 -8.224 8.478 1.00 60.30 N ATOM 1079 CA ARG A 69 3.776 -8.498 9.721 1.00 60.10 C ATOM 1080 C ARG A 69 3.916 -7.230 10.558 1.00 13.00 C ATOM 1081 O ARG A 69 4.436 -7.265 11.673 1.00 14.25 O ATOM 1082 CB ARG A 69 5.159 -9.081 9.425 1.00 71.24 C ATOM 1083 CG ARG A 69 5.424 -10.405 10.123 1.00 70.14 C ATOM 1084 CD ARG A 69 6.911 -10.718 10.178 1.00 1.43 C ATOM 1085 NE ARG A 69 7.349 -11.055 11.530 1.00 62.41 N ATOM 1086 CZ ARG A 69 8.579 -11.461 11.824 1.00 45.01 C ATOM 1087 NH1 ARG A 69 9.489 -11.578 10.866 1.00 20.03 N ATOM 1088 NH2 ARG A 69 8.902 -11.750 13.078 1.00 2.11 N ATOM 0 H ARG A 69 3.658 -8.202 7.649 1.00 60.30 H new ATOM 0 HA ARG A 69 3.196 -9.226 10.289 1.00 60.10 H new ATOM 0 HB2 ARG A 69 5.263 -9.220 8.349 1.00 71.24 H new ATOM 0 HB3 ARG A 69 5.920 -8.362 9.728 1.00 71.24 H new ATOM 0 HG2 ARG A 69 5.021 -10.371 11.135 1.00 70.14 H new ATOM 0 HG3 ARG A 69 4.902 -11.205 9.598 1.00 70.14 H new ATOM 0 HD2 ARG A 69 7.132 -11.549 9.508 1.00 1.43 H new ATOM 0 HD3 ARG A 69 7.476 -9.859 9.817 1.00 1.43 H new ATOM 0 HE ARG A 69 6.673 -10.974 12.290 1.00 62.41 H new ATOM 0 HH11 ARG A 69 9.245 -11.356 9.901 1.00 20.03 H new ATOM 0 HH12 ARG A 69 10.433 -11.890 11.095 1.00 20.03 H new ATOM 0 HH21 ARG A 69 8.205 -11.661 13.818 1.00 2.11 H new ATOM 0 HH22 ARG A 69 9.847 -12.062 13.302 1.00 2.11 H new ATOM 1102 N ARG A 70 3.449 -6.112 10.012 1.00 73.13 N ATOM 1103 CA ARG A 70 3.523 -4.833 10.707 1.00 3.20 C ATOM 1104 C ARG A 70 4.971 -4.367 10.835 1.00 33.22 C ATOM 1105 O ARG A 70 5.420 -3.994 11.918 1.00 51.21 O ATOM 1106 CB ARG A 70 2.887 -4.944 12.094 1.00 65.20 C ATOM 1107 CG ARG A 70 1.585 -5.728 12.106 1.00 63.12 C ATOM 1108 CD ARG A 70 1.005 -5.823 13.508 1.00 22.43 C ATOM 1109 NE ARG A 70 1.706 -6.811 14.324 1.00 32.44 N ATOM 1110 CZ ARG A 70 1.480 -6.986 15.622 1.00 61.13 C ATOM 1111 NH1 ARG A 70 0.577 -6.243 16.247 1.00 61.42 N ATOM 1112 NH2 ARG A 70 2.158 -7.906 16.296 1.00 1.13 N ATOM 0 H ARG A 70 3.015 -6.066 9.090 1.00 73.13 H new ATOM 0 HA ARG A 70 2.973 -4.097 10.121 1.00 3.20 H new ATOM 0 HB2 ARG A 70 3.595 -5.421 12.772 1.00 65.20 H new ATOM 0 HB3 ARG A 70 2.701 -3.942 12.481 1.00 65.20 H new ATOM 0 HG2 ARG A 70 0.864 -5.248 11.445 1.00 63.12 H new ATOM 0 HG3 ARG A 70 1.759 -6.730 11.714 1.00 63.12 H new ATOM 0 HD2 ARG A 70 1.062 -4.848 13.991 1.00 22.43 H new ATOM 0 HD3 ARG A 70 -0.051 -6.087 13.447 1.00 22.43 H new ATOM 0 HE ARG A 70 2.407 -7.399 13.873 1.00 32.44 H new ATOM 0 HH11 ARG A 70 0.054 -5.535 15.732 1.00 61.42 H new ATOM 0 HH12 ARG A 70 0.405 -6.379 17.243 1.00 61.42 H new ATOM 0 HH21 ARG A 70 2.853 -8.479 15.818 1.00 1.13 H new ATOM 0 HH22 ARG A 70 1.984 -8.040 17.292 1.00 1.13 H new ATOM 1126 N GLY A 71 5.696 -4.393 9.721 1.00 24.13 N ATOM 1127 CA GLY A 71 7.085 -3.972 9.731 1.00 62.23 C ATOM 1128 C GLY A 71 7.234 -2.467 9.828 1.00 42.11 C ATOM 1129 O GLY A 71 8.347 -1.950 9.934 1.00 62.53 O ATOM 0 H GLY A 71 5.347 -4.698 8.812 1.00 24.13 H new ATOM 0 HA2 GLY A 71 7.597 -4.440 10.572 1.00 62.23 H new ATOM 0 HA3 GLY A 71 7.575 -4.325 8.823 1.00 62.23 H new ATOM 1133 N THR A 72 6.110 -1.759 9.790 1.00 13.34 N ATOM 1134 CA THR A 72 6.120 -0.304 9.872 1.00 13.41 C ATOM 1135 C THR A 72 4.796 0.226 10.413 1.00 65.12 C ATOM 1136 O THR A 72 4.371 1.327 10.066 1.00 54.13 O ATOM 1137 CB THR A 72 6.391 0.334 8.497 1.00 43.43 C ATOM 1138 OG1 THR A 72 5.651 -0.354 7.483 1.00 61.05 O ATOM 1139 CG2 THR A 72 7.875 0.293 8.165 1.00 43.24 C ATOM 0 H THR A 72 5.181 -2.170 9.703 1.00 13.34 H new ATOM 0 HA THR A 72 6.924 -0.032 10.556 1.00 13.41 H new ATOM 0 HB THR A 72 6.072 1.376 8.535 1.00 43.43 H new ATOM 0 HG1 THR A 72 5.828 0.059 6.612 1.00 61.05 H new ATOM 0 HG21 THR A 72 8.042 0.749 7.189 1.00 43.24 H new ATOM 0 HG22 THR A 72 8.433 0.843 8.923 1.00 43.24 H new ATOM 0 HG23 THR A 72 8.215 -0.742 8.144 1.00 43.24 H new ATOM 1147 N GLN A 73 4.152 -0.565 11.264 1.00 14.15 N ATOM 1148 CA GLN A 73 2.876 -0.174 11.853 1.00 70.22 C ATOM 1149 C GLN A 73 2.989 1.179 12.547 1.00 34.15 C ATOM 1150 O GLN A 73 3.499 1.275 13.663 1.00 60.23 O ATOM 1151 CB GLN A 73 2.404 -1.235 12.849 1.00 13.51 C ATOM 1152 CG GLN A 73 3.495 -1.709 13.795 1.00 33.04 C ATOM 1153 CD GLN A 73 3.004 -1.861 15.222 1.00 65.22 C ATOM 1154 OE1 GLN A 73 2.239 -1.034 15.719 1.00 23.40 O ATOM 1155 NE2 GLN A 73 3.443 -2.922 15.889 1.00 64.11 N ATOM 0 H GLN A 73 4.492 -1.480 11.561 1.00 14.15 H new ATOM 0 HA GLN A 73 2.144 -0.089 11.050 1.00 70.22 H new ATOM 0 HB2 GLN A 73 1.578 -0.830 13.434 1.00 13.51 H new ATOM 0 HB3 GLN A 73 2.015 -2.091 12.298 1.00 13.51 H new ATOM 0 HG2 GLN A 73 3.884 -2.665 13.445 1.00 33.04 H new ATOM 0 HG3 GLN A 73 4.323 -1.000 13.773 1.00 33.04 H new ATOM 0 HE21 GLN A 73 4.076 -3.582 15.438 1.00 64.11 H new ATOM 0 HE22 GLN A 73 3.147 -3.077 16.853 1.00 64.11 H new ATOM 1164 N GLY A 74 2.508 2.224 11.879 1.00 24.55 N ATOM 1165 CA GLY A 74 2.565 3.557 12.448 1.00 3.51 C ATOM 1166 C GLY A 74 3.810 4.314 12.029 1.00 63.21 C ATOM 1167 O GLY A 74 3.831 5.544 12.046 1.00 25.00 O ATOM 0 H GLY A 74 2.080 2.170 10.955 1.00 24.55 H new ATOM 0 HA2 GLY A 74 1.682 4.118 12.141 1.00 3.51 H new ATOM 0 HA3 GLY A 74 2.535 3.486 13.535 1.00 3.51 H new ATOM 1171 N GLU A 75 4.851 3.576 11.653 1.00 14.32 N ATOM 1172 CA GLU A 75 6.106 4.186 11.230 1.00 13.44 C ATOM 1173 C GLU A 75 6.005 4.700 9.797 1.00 2.21 C ATOM 1174 O GLU A 75 6.693 5.647 9.416 1.00 12.13 O ATOM 1175 CB GLU A 75 7.252 3.179 11.344 1.00 73.14 C ATOM 1176 CG GLU A 75 8.516 3.761 11.954 1.00 72.13 C ATOM 1177 CD GLU A 75 8.773 3.252 13.359 1.00 63.34 C ATOM 1178 OE1 GLU A 75 7.965 3.562 14.259 1.00 44.51 O ATOM 1179 OE2 GLU A 75 9.782 2.543 13.558 1.00 41.40 O ATOM 0 H GLU A 75 4.849 2.556 11.633 1.00 14.32 H new ATOM 0 HA GLU A 75 6.309 5.032 11.887 1.00 13.44 H new ATOM 0 HB2 GLU A 75 6.923 2.334 11.949 1.00 73.14 H new ATOM 0 HB3 GLU A 75 7.483 2.791 10.352 1.00 73.14 H new ATOM 0 HG2 GLU A 75 9.368 3.514 11.320 1.00 72.13 H new ATOM 0 HG3 GLU A 75 8.438 4.848 11.974 1.00 72.13 H new ATOM 1186 N ALA A 76 5.144 4.068 9.007 1.00 32.31 N ATOM 1187 CA ALA A 76 4.952 4.461 7.617 1.00 73.13 C ATOM 1188 C ALA A 76 4.132 5.743 7.517 1.00 43.11 C ATOM 1189 O ALA A 76 3.949 6.291 6.430 1.00 63.23 O ATOM 1190 CB ALA A 76 4.278 3.340 6.839 1.00 32.35 C ATOM 0 H ALA A 76 4.568 3.281 9.306 1.00 32.31 H new ATOM 0 HA ALA A 76 5.933 4.652 7.181 1.00 73.13 H new ATOM 0 HB1 ALA A 76 4.141 3.648 5.802 1.00 32.35 H new ATOM 0 HB2 ALA A 76 4.902 2.447 6.873 1.00 32.35 H new ATOM 0 HB3 ALA A 76 3.307 3.121 7.284 1.00 32.35 H new ATOM 1196 N ARG A 77 3.641 6.216 8.658 1.00 51.05 N ATOM 1197 CA ARG A 77 2.839 7.433 8.698 1.00 41.04 C ATOM 1198 C ARG A 77 3.730 8.672 8.697 1.00 64.40 C ATOM 1199 O ARG A 77 3.267 9.782 8.440 1.00 14.00 O ATOM 1200 CB ARG A 77 1.942 7.438 9.937 1.00 63.31 C ATOM 1201 CG ARG A 77 0.742 8.363 9.817 1.00 62.32 C ATOM 1202 CD ARG A 77 -0.524 7.591 9.480 1.00 13.32 C ATOM 1203 NE ARG A 77 -1.468 8.398 8.711 1.00 70.43 N ATOM 1204 CZ ARG A 77 -2.294 9.283 9.257 1.00 72.03 C ATOM 1205 NH1 ARG A 77 -2.292 9.475 10.569 1.00 54.15 N ATOM 1206 NH2 ARG A 77 -3.124 9.979 8.490 1.00 70.31 N ATOM 0 H ARG A 77 3.784 5.775 9.567 1.00 51.05 H new ATOM 0 HA ARG A 77 2.214 7.455 7.805 1.00 41.04 H new ATOM 0 HB2 ARG A 77 1.591 6.423 10.125 1.00 63.31 H new ATOM 0 HB3 ARG A 77 2.534 7.735 10.802 1.00 63.31 H new ATOM 0 HG2 ARG A 77 0.602 8.903 10.754 1.00 62.32 H new ATOM 0 HG3 ARG A 77 0.931 9.108 9.045 1.00 62.32 H new ATOM 0 HD2 ARG A 77 -0.264 6.698 8.912 1.00 13.32 H new ATOM 0 HD3 ARG A 77 -1.000 7.255 10.401 1.00 13.32 H new ATOM 0 HE ARG A 77 -1.494 8.275 7.699 1.00 70.43 H new ATOM 0 HH11 ARG A 77 -1.655 8.942 11.161 1.00 54.15 H new ATOM 0 HH12 ARG A 77 -2.927 10.155 10.986 1.00 54.15 H new ATOM 0 HH21 ARG A 77 -3.128 9.834 7.480 1.00 70.31 H new ATOM 0 HH22 ARG A 77 -3.758 10.659 8.910 1.00 70.31 H new ATOM 1220 N ALA A 78 5.012 8.472 8.987 1.00 40.11 N ATOM 1221 CA ALA A 78 5.968 9.572 9.018 1.00 22.22 C ATOM 1222 C ALA A 78 7.052 9.387 7.962 1.00 64.21 C ATOM 1223 O ALA A 78 7.371 10.314 7.217 1.00 61.44 O ATOM 1224 CB ALA A 78 6.591 9.690 10.401 1.00 0.44 C ATOM 0 H ALA A 78 5.412 7.559 9.204 1.00 40.11 H new ATOM 0 HA ALA A 78 5.432 10.494 8.793 1.00 22.22 H new ATOM 0 HB1 ALA A 78 7.303 10.515 10.410 1.00 0.44 H new ATOM 0 HB2 ALA A 78 5.809 9.877 11.137 1.00 0.44 H new ATOM 0 HB3 ALA A 78 7.108 8.762 10.648 1.00 0.44 H new ATOM 1230 N TYR A 79 7.616 8.185 7.904 1.00 50.44 N ATOM 1231 CA TYR A 79 8.667 7.880 6.940 1.00 2.34 C ATOM 1232 C TYR A 79 8.073 7.505 5.586 1.00 21.13 C ATOM 1233 O TYR A 79 8.465 8.045 4.552 1.00 3.43 O ATOM 1234 CB TYR A 79 9.547 6.741 7.458 1.00 73.34 C ATOM 1235 CG TYR A 79 10.473 6.167 6.409 1.00 4.44 C ATOM 1236 CD1 TYR A 79 11.190 6.999 5.558 1.00 54.55 C ATOM 1237 CD2 TYR A 79 10.632 4.794 6.270 1.00 42.30 C ATOM 1238 CE1 TYR A 79 12.037 6.480 4.598 1.00 40.42 C ATOM 1239 CE2 TYR A 79 11.478 4.266 5.314 1.00 4.42 C ATOM 1240 CZ TYR A 79 12.178 5.113 4.480 1.00 4.45 C ATOM 1241 OH TYR A 79 13.021 4.591 3.526 1.00 3.51 O ATOM 0 H TYR A 79 7.363 7.407 8.513 1.00 50.44 H new ATOM 0 HA TYR A 79 9.278 8.773 6.812 1.00 2.34 H new ATOM 0 HB2 TYR A 79 10.142 7.105 8.296 1.00 73.34 H new ATOM 0 HB3 TYR A 79 8.909 5.945 7.842 1.00 73.34 H new ATOM 0 HD1 TYR A 79 11.083 8.070 5.649 1.00 54.55 H new ATOM 0 HD2 TYR A 79 10.085 4.128 6.921 1.00 42.30 H new ATOM 0 HE1 TYR A 79 12.586 7.141 3.943 1.00 40.42 H new ATOM 0 HE2 TYR A 79 11.591 3.196 5.220 1.00 4.42 H new ATOM 0 HH TYR A 79 13.006 3.612 3.577 1.00 3.51 H new ATOM 1251 N SER A 80 7.124 6.575 5.601 1.00 35.14 N ATOM 1252 CA SER A 80 6.476 6.124 4.375 1.00 20.53 C ATOM 1253 C SER A 80 7.487 5.479 3.432 1.00 24.24 C ATOM 1254 O SER A 80 7.682 4.264 3.451 1.00 65.13 O ATOM 1255 CB SER A 80 5.786 7.296 3.676 1.00 12.54 C ATOM 1256 OG SER A 80 4.668 7.748 4.421 1.00 20.23 O ATOM 0 H SER A 80 6.787 6.119 6.449 1.00 35.14 H new ATOM 0 HA SER A 80 5.727 5.379 4.643 1.00 20.53 H new ATOM 0 HB2 SER A 80 6.495 8.114 3.546 1.00 12.54 H new ATOM 0 HB3 SER A 80 5.464 6.991 2.680 1.00 12.54 H new ATOM 0 HG SER A 80 4.526 7.156 5.189 1.00 20.23 H new ATOM 1262 N MET A 81 8.128 6.302 2.609 1.00 10.41 N ATOM 1263 CA MET A 81 9.121 5.813 1.659 1.00 15.42 C ATOM 1264 C MET A 81 10.376 6.680 1.690 1.00 34.20 C ATOM 1265 O MET A 81 10.462 7.639 2.457 1.00 31.23 O ATOM 1266 CB MET A 81 8.537 5.791 0.245 1.00 32.12 C ATOM 1267 CG MET A 81 8.004 4.429 -0.170 1.00 55.55 C ATOM 1268 SD MET A 81 6.459 4.006 0.657 1.00 15.42 S ATOM 1269 CE MET A 81 5.412 5.364 0.136 1.00 65.31 C ATOM 0 H MET A 81 7.978 7.310 2.581 1.00 10.41 H new ATOM 0 HA MET A 81 9.395 4.798 1.947 1.00 15.42 H new ATOM 0 HB2 MET A 81 7.731 6.522 0.182 1.00 32.12 H new ATOM 0 HB3 MET A 81 9.306 6.102 -0.462 1.00 32.12 H new ATOM 0 HG2 MET A 81 7.849 4.417 -1.249 1.00 55.55 H new ATOM 0 HG3 MET A 81 8.751 3.667 0.053 1.00 55.55 H new ATOM 0 HE1 MET A 81 4.423 4.983 -0.121 1.00 65.31 H new ATOM 0 HE2 MET A 81 5.323 6.087 0.947 1.00 65.31 H new ATOM 0 HE3 MET A 81 5.852 5.849 -0.736 1.00 65.31 H new ATOM 1279 N LYS A 82 11.347 6.336 0.851 1.00 1.14 N ATOM 1280 CA LYS A 82 12.598 7.082 0.781 1.00 13.43 C ATOM 1281 C LYS A 82 12.552 8.117 -0.338 1.00 54.52 C ATOM 1282 O LYS A 82 12.588 7.770 -1.518 1.00 51.11 O ATOM 1283 CB LYS A 82 13.773 6.128 0.560 1.00 44.13 C ATOM 1284 CG LYS A 82 14.909 6.322 1.550 1.00 70.13 C ATOM 1285 CD LYS A 82 15.881 5.154 1.519 1.00 41.54 C ATOM 1286 CE LYS A 82 16.689 5.068 2.804 1.00 25.01 C ATOM 1287 NZ LYS A 82 17.838 6.015 2.802 1.00 44.43 N ATOM 0 H LYS A 82 11.292 5.545 0.210 1.00 1.14 H new ATOM 0 HA LYS A 82 12.735 7.603 1.729 1.00 13.43 H new ATOM 0 HB2 LYS A 82 13.414 5.101 0.628 1.00 44.13 H new ATOM 0 HB3 LYS A 82 14.156 6.265 -0.451 1.00 44.13 H new ATOM 0 HG2 LYS A 82 15.441 7.245 1.319 1.00 70.13 H new ATOM 0 HG3 LYS A 82 14.502 6.431 2.555 1.00 70.13 H new ATOM 0 HD2 LYS A 82 15.331 4.225 1.371 1.00 41.54 H new ATOM 0 HD3 LYS A 82 16.556 5.263 0.670 1.00 41.54 H new ATOM 0 HE2 LYS A 82 16.042 5.284 3.655 1.00 25.01 H new ATOM 0 HE3 LYS A 82 17.057 4.050 2.934 1.00 25.01 H new ATOM 0 HZ1 LYS A 82 18.363 5.925 3.695 1.00 44.43 H new ATOM 0 HZ2 LYS A 82 18.469 5.794 2.005 1.00 44.43 H new ATOM 0 HZ3 LYS A 82 17.485 6.988 2.704 1.00 44.43 H new ATOM 1301 N GLU A 83 12.473 9.389 0.041 1.00 52.34 N ATOM 1302 CA GLU A 83 12.423 10.474 -0.933 1.00 32.12 C ATOM 1303 C GLU A 83 13.627 10.421 -1.868 1.00 43.43 C ATOM 1304 O GLU A 83 13.525 10.756 -3.049 1.00 31.33 O ATOM 1305 CB GLU A 83 12.376 11.827 -0.220 1.00 35.01 C ATOM 1306 CG GLU A 83 11.037 12.123 0.435 1.00 52.51 C ATOM 1307 CD GLU A 83 11.139 13.178 1.520 1.00 51.02 C ATOM 1308 OE1 GLU A 83 11.635 12.852 2.619 1.00 60.35 O ATOM 1309 OE2 GLU A 83 10.723 14.329 1.271 1.00 73.44 O ATOM 0 H GLU A 83 12.442 9.693 1.014 1.00 52.34 H new ATOM 0 HA GLU A 83 11.517 10.353 -1.528 1.00 32.12 H new ATOM 0 HB2 GLU A 83 13.157 11.855 0.540 1.00 35.01 H new ATOM 0 HB3 GLU A 83 12.602 12.615 -0.938 1.00 35.01 H new ATOM 0 HG2 GLU A 83 10.331 12.456 -0.325 1.00 52.51 H new ATOM 0 HG3 GLU A 83 10.635 11.205 0.863 1.00 52.51 H new ATOM 1316 N ASP A 84 14.767 10.000 -1.332 1.00 3.10 N ATOM 1317 CA ASP A 84 15.992 9.903 -2.118 1.00 30.03 C ATOM 1318 C ASP A 84 15.797 8.979 -3.316 1.00 50.41 C ATOM 1319 O ASP A 84 16.344 9.218 -4.394 1.00 35.14 O ATOM 1320 CB ASP A 84 17.142 9.394 -1.248 1.00 4.13 C ATOM 1321 CG ASP A 84 17.986 10.521 -0.686 1.00 1.50 C ATOM 1322 OD1 ASP A 84 17.410 11.565 -0.314 1.00 34.31 O ATOM 1323 OD2 ASP A 84 19.223 10.361 -0.619 1.00 70.13 O ATOM 0 H ASP A 84 14.869 9.720 -0.356 1.00 3.10 H new ATOM 0 HA ASP A 84 16.238 10.899 -2.486 1.00 30.03 H new ATOM 0 HB2 ASP A 84 16.738 8.802 -0.427 1.00 4.13 H new ATOM 0 HB3 ASP A 84 17.774 8.730 -1.838 1.00 4.13 H new ATOM 1328 N THR A 85 15.015 7.922 -3.121 1.00 53.31 N ATOM 1329 CA THR A 85 14.749 6.961 -4.184 1.00 41.53 C ATOM 1330 C THR A 85 13.319 7.089 -4.696 1.00 50.22 C ATOM 1331 O THR A 85 12.861 6.274 -5.497 1.00 22.20 O ATOM 1332 CB THR A 85 14.984 5.516 -3.707 1.00 23.02 C ATOM 1333 OG1 THR A 85 15.263 5.503 -2.302 1.00 50.23 O ATOM 1334 CG2 THR A 85 16.139 4.877 -4.464 1.00 13.01 C ATOM 0 H THR A 85 14.554 7.710 -2.236 1.00 53.31 H new ATOM 0 HA THR A 85 15.443 7.186 -4.994 1.00 41.53 H new ATOM 0 HB THR A 85 14.079 4.941 -3.903 1.00 23.02 H new ATOM 0 HG1 THR A 85 15.410 4.580 -2.006 1.00 50.23 H new ATOM 0 HG21 THR A 85 16.286 3.857 -4.110 1.00 13.01 H new ATOM 0 HG22 THR A 85 15.911 4.862 -5.530 1.00 13.01 H new ATOM 0 HG23 THR A 85 17.048 5.454 -4.295 1.00 13.01 H new ATOM 1342 N ARG A 86 12.618 8.117 -4.230 1.00 0.43 N ATOM 1343 CA ARG A 86 11.239 8.351 -4.641 1.00 11.24 C ATOM 1344 C ARG A 86 11.187 9.121 -5.957 1.00 72.53 C ATOM 1345 O ARG A 86 11.992 10.022 -6.194 1.00 53.41 O ATOM 1346 CB ARG A 86 10.485 9.123 -3.556 1.00 41.33 C ATOM 1347 CG ARG A 86 8.991 8.844 -3.537 1.00 1.41 C ATOM 1348 CD ARG A 86 8.462 8.740 -2.115 1.00 2.50 C ATOM 1349 NE ARG A 86 8.224 10.054 -1.522 1.00 71.23 N ATOM 1350 CZ ARG A 86 8.149 10.267 -0.213 1.00 70.33 C ATOM 1351 NH1 ARG A 86 8.293 9.258 0.635 1.00 4.01 N ATOM 1352 NH2 ARG A 86 7.930 11.491 0.250 1.00 74.34 N ATOM 0 H ARG A 86 12.982 8.801 -3.567 1.00 0.43 H new ATOM 0 HA ARG A 86 10.761 7.383 -4.787 1.00 11.24 H new ATOM 0 HB2 ARG A 86 10.906 8.870 -2.583 1.00 41.33 H new ATOM 0 HB3 ARG A 86 10.645 10.191 -3.704 1.00 41.33 H new ATOM 0 HG2 ARG A 86 8.465 9.639 -4.065 1.00 1.41 H new ATOM 0 HG3 ARG A 86 8.786 7.916 -4.071 1.00 1.41 H new ATOM 0 HD2 ARG A 86 7.534 8.169 -2.114 1.00 2.50 H new ATOM 0 HD3 ARG A 86 9.176 8.190 -1.502 1.00 2.50 H new ATOM 0 HE ARG A 86 8.109 10.851 -2.147 1.00 71.23 H new ATOM 0 HH11 ARG A 86 8.462 8.316 0.283 1.00 4.01 H new ATOM 0 HH12 ARG A 86 8.235 9.424 1.640 1.00 4.01 H new ATOM 0 HH21 ARG A 86 7.819 12.270 -0.399 1.00 74.34 H new ATOM 0 HH22 ARG A 86 7.873 11.653 1.255 1.00 74.34 H new ATOM 1366 N LEU A 87 10.236 8.758 -6.811 1.00 13.21 N ATOM 1367 CA LEU A 87 10.079 9.414 -8.105 1.00 35.43 C ATOM 1368 C LEU A 87 8.890 10.370 -8.090 1.00 20.40 C ATOM 1369 O LEU A 87 9.025 11.548 -8.418 1.00 65.31 O ATOM 1370 CB LEU A 87 9.895 8.370 -9.208 1.00 52.32 C ATOM 1371 CG LEU A 87 10.855 8.472 -10.394 1.00 74.52 C ATOM 1372 CD1 LEU A 87 10.417 7.543 -11.516 1.00 31.51 C ATOM 1373 CD2 LEU A 87 10.939 9.907 -10.891 1.00 0.52 C ATOM 0 H LEU A 87 9.562 8.014 -6.631 1.00 13.21 H new ATOM 0 HA LEU A 87 10.982 9.990 -8.305 1.00 35.43 H new ATOM 0 HB2 LEU A 87 10.000 7.380 -8.765 1.00 52.32 H new ATOM 0 HB3 LEU A 87 8.875 8.444 -9.584 1.00 52.32 H new ATOM 0 HG LEU A 87 11.847 8.165 -10.061 1.00 74.52 H new ATOM 0 HD11 LEU A 87 11.112 7.629 -12.352 1.00 31.51 H new ATOM 0 HD12 LEU A 87 10.409 6.515 -11.155 1.00 31.51 H new ATOM 0 HD13 LEU A 87 9.416 7.819 -11.847 1.00 31.51 H new ATOM 0 HD21 LEU A 87 11.627 9.960 -11.735 1.00 0.52 H new ATOM 0 HD22 LEU A 87 9.951 10.241 -11.207 1.00 0.52 H new ATOM 0 HD23 LEU A 87 11.300 10.550 -10.088 1.00 0.52 H new ATOM 1385 N GLU A 88 7.727 9.854 -7.705 1.00 72.33 N ATOM 1386 CA GLU A 88 6.515 10.663 -7.646 1.00 61.13 C ATOM 1387 C GLU A 88 5.802 10.478 -6.310 1.00 72.11 C ATOM 1388 O GLU A 88 6.203 9.654 -5.489 1.00 14.22 O ATOM 1389 CB GLU A 88 5.573 10.295 -8.795 1.00 4.21 C ATOM 1390 CG GLU A 88 4.932 11.499 -9.465 1.00 70.30 C ATOM 1391 CD GLU A 88 5.954 12.448 -10.060 1.00 15.42 C ATOM 1392 OE1 GLU A 88 6.488 12.142 -11.146 1.00 73.10 O ATOM 1393 OE2 GLU A 88 6.218 13.499 -9.438 1.00 64.14 O ATOM 0 H GLU A 88 7.598 8.880 -7.430 1.00 72.33 H new ATOM 0 HA GLU A 88 6.803 11.710 -7.743 1.00 61.13 H new ATOM 0 HB2 GLU A 88 6.128 9.727 -9.541 1.00 4.21 H new ATOM 0 HB3 GLU A 88 4.788 9.640 -8.415 1.00 4.21 H new ATOM 0 HG2 GLU A 88 4.258 11.157 -10.251 1.00 70.30 H new ATOM 0 HG3 GLU A 88 4.325 12.035 -8.736 1.00 70.30 H new ATOM 1400 N GLY A 89 4.741 11.252 -6.100 1.00 22.13 N ATOM 1401 CA GLY A 89 3.989 11.159 -4.862 1.00 40.22 C ATOM 1402 C GLY A 89 4.440 12.176 -3.832 1.00 72.22 C ATOM 1403 O GLY A 89 5.215 13.086 -4.125 1.00 42.32 O ATOM 0 H GLY A 89 4.389 11.941 -6.765 1.00 22.13 H new ATOM 0 HA2 GLY A 89 2.929 11.305 -5.072 1.00 40.22 H new ATOM 0 HA3 GLY A 89 4.097 10.156 -4.449 1.00 40.22 H new ATOM 1407 N PRO A 90 3.947 12.027 -2.593 1.00 42.45 N ATOM 1408 CA PRO A 90 3.023 10.948 -2.233 1.00 51.12 C ATOM 1409 C PRO A 90 1.647 11.129 -2.865 1.00 33.53 C ATOM 1410 O PRO A 90 1.362 12.162 -3.471 1.00 24.42 O ATOM 1411 CB PRO A 90 2.930 11.055 -0.709 1.00 60.31 C ATOM 1412 CG PRO A 90 3.256 12.477 -0.408 1.00 71.12 C ATOM 1413 CD PRO A 90 4.254 12.902 -1.449 1.00 40.23 C ATOM 0 HA PRO A 90 3.372 9.977 -2.585 1.00 51.12 H new ATOM 0 HB2 PRO A 90 1.933 10.794 -0.354 1.00 60.31 H new ATOM 0 HB3 PRO A 90 3.630 10.377 -0.221 1.00 60.31 H new ATOM 0 HG2 PRO A 90 2.362 13.099 -0.448 1.00 71.12 H new ATOM 0 HG3 PRO A 90 3.671 12.578 0.595 1.00 71.12 H new ATOM 0 HD2 PRO A 90 4.142 13.955 -1.707 1.00 40.23 H new ATOM 0 HD3 PRO A 90 5.279 12.766 -1.103 1.00 40.23 H new ATOM 1421 N TRP A 91 0.797 10.118 -2.718 1.00 41.43 N ATOM 1422 CA TRP A 91 -0.550 10.167 -3.275 1.00 33.43 C ATOM 1423 C TRP A 91 -1.557 9.535 -2.319 1.00 42.40 C ATOM 1424 O TRP A 91 -1.378 8.401 -1.876 1.00 42.34 O ATOM 1425 CB TRP A 91 -0.592 9.450 -4.625 1.00 54.35 C ATOM 1426 CG TRP A 91 0.013 10.249 -5.740 1.00 72.43 C ATOM 1427 CD1 TRP A 91 -0.069 11.600 -5.918 1.00 44.25 C ATOM 1428 CD2 TRP A 91 0.790 9.744 -6.832 1.00 1.13 C ATOM 1429 NE1 TRP A 91 0.611 11.966 -7.055 1.00 44.30 N ATOM 1430 CE2 TRP A 91 1.148 10.846 -7.633 1.00 11.22 C ATOM 1431 CE3 TRP A 91 1.221 8.469 -7.209 1.00 55.30 C ATOM 1432 CZ2 TRP A 91 1.914 10.709 -8.787 1.00 53.24 C ATOM 1433 CZ3 TRP A 91 1.980 8.335 -8.355 1.00 43.15 C ATOM 1434 CH2 TRP A 91 2.321 9.450 -9.133 1.00 63.53 C ATOM 0 H TRP A 91 1.017 9.256 -2.219 1.00 41.43 H new ATOM 0 HA TRP A 91 -0.819 11.213 -3.419 1.00 33.43 H new ATOM 0 HB2 TRP A 91 -0.065 8.500 -4.540 1.00 54.35 H new ATOM 0 HB3 TRP A 91 -1.628 9.219 -4.874 1.00 54.35 H new ATOM 0 HD1 TRP A 91 -0.591 12.281 -5.262 1.00 44.25 H new ATOM 0 HE1 TRP A 91 0.701 12.918 -7.411 1.00 44.30 H new ATOM 0 HE3 TRP A 91 0.965 7.604 -6.615 1.00 55.30 H new ATOM 0 HZ2 TRP A 91 2.178 11.567 -9.388 1.00 53.24 H new ATOM 0 HZ3 TRP A 91 2.317 7.354 -8.657 1.00 43.15 H new ATOM 0 HH2 TRP A 91 2.917 9.312 -10.023 1.00 63.53 H new ATOM 1445 N GLU A 92 -2.615 10.277 -2.005 1.00 45.14 N ATOM 1446 CA GLU A 92 -3.649 9.788 -1.101 1.00 64.02 C ATOM 1447 C GLU A 92 -4.997 9.703 -1.811 1.00 43.32 C ATOM 1448 O GLU A 92 -5.374 10.605 -2.560 1.00 1.11 O ATOM 1449 CB GLU A 92 -3.761 10.700 0.122 1.00 4.22 C ATOM 1450 CG GLU A 92 -2.961 10.214 1.319 1.00 32.23 C ATOM 1451 CD GLU A 92 -1.468 10.411 1.143 1.00 51.20 C ATOM 1452 OE1 GLU A 92 -0.975 11.515 1.458 1.00 21.53 O ATOM 1453 OE2 GLU A 92 -0.793 9.464 0.690 1.00 72.43 O ATOM 0 H GLU A 92 -2.778 11.218 -2.363 1.00 45.14 H new ATOM 0 HA GLU A 92 -3.366 8.787 -0.774 1.00 64.02 H new ATOM 0 HB2 GLU A 92 -3.422 11.700 -0.149 1.00 4.22 H new ATOM 0 HB3 GLU A 92 -4.810 10.785 0.407 1.00 4.22 H new ATOM 0 HG2 GLU A 92 -3.291 10.746 2.212 1.00 32.23 H new ATOM 0 HG3 GLU A 92 -3.167 9.156 1.484 1.00 32.23 H new ATOM 1460 N TYR A 93 -5.717 8.614 -1.571 1.00 75.31 N ATOM 1461 CA TYR A 93 -7.022 8.409 -2.189 1.00 60.33 C ATOM 1462 C TYR A 93 -7.991 7.753 -1.211 1.00 34.41 C ATOM 1463 O TYR A 93 -7.579 7.144 -0.224 1.00 50.33 O ATOM 1464 CB TYR A 93 -6.885 7.546 -3.445 1.00 21.32 C ATOM 1465 CG TYR A 93 -6.070 8.196 -4.540 1.00 73.33 C ATOM 1466 CD1 TYR A 93 -6.630 9.159 -5.371 1.00 11.14 C ATOM 1467 CD2 TYR A 93 -4.742 7.846 -4.746 1.00 5.01 C ATOM 1468 CE1 TYR A 93 -5.890 9.755 -6.373 1.00 51.23 C ATOM 1469 CE2 TYR A 93 -3.994 8.438 -5.745 1.00 65.11 C ATOM 1470 CZ TYR A 93 -4.572 9.392 -6.556 1.00 72.33 C ATOM 1471 OH TYR A 93 -3.831 9.983 -7.554 1.00 21.43 O ATOM 0 H TYR A 93 -5.420 7.859 -0.953 1.00 75.31 H new ATOM 0 HA TYR A 93 -7.421 9.384 -2.468 1.00 60.33 H new ATOM 0 HB2 TYR A 93 -6.423 6.596 -3.175 1.00 21.32 H new ATOM 0 HB3 TYR A 93 -7.879 7.319 -3.830 1.00 21.32 H new ATOM 0 HD1 TYR A 93 -7.662 9.446 -5.231 1.00 11.14 H new ATOM 0 HD2 TYR A 93 -4.286 7.098 -4.114 1.00 5.01 H new ATOM 0 HE1 TYR A 93 -6.341 10.501 -7.010 1.00 51.23 H new ATOM 0 HE2 TYR A 93 -2.962 8.155 -5.890 1.00 65.11 H new ATOM 0 HH TYR A 93 -2.922 9.616 -7.547 1.00 21.43 H new ATOM 1481 N GLY A 94 -9.284 7.881 -1.493 1.00 75.23 N ATOM 1482 CA GLY A 94 -10.294 7.295 -0.630 1.00 42.34 C ATOM 1483 C GLY A 94 -10.787 8.265 0.425 1.00 33.22 C ATOM 1484 O GLY A 94 -10.792 9.476 0.210 1.00 2.30 O ATOM 0 H GLY A 94 -9.650 8.380 -2.304 1.00 75.23 H new ATOM 0 HA2 GLY A 94 -11.137 6.962 -1.236 1.00 42.34 H new ATOM 0 HA3 GLY A 94 -9.883 6.411 -0.143 1.00 42.34 H new ATOM 1488 N GLU A 95 -11.205 7.730 1.568 1.00 13.34 N ATOM 1489 CA GLU A 95 -11.706 8.558 2.660 1.00 64.22 C ATOM 1490 C GLU A 95 -10.715 9.667 3.000 1.00 43.44 C ATOM 1491 O GLU A 95 -9.951 9.558 3.958 1.00 44.30 O ATOM 1492 CB GLU A 95 -11.972 7.700 3.899 1.00 53.23 C ATOM 1493 CG GLU A 95 -12.391 8.505 5.118 1.00 42.15 C ATOM 1494 CD GLU A 95 -13.779 8.143 5.607 1.00 33.44 C ATOM 1495 OE1 GLU A 95 -14.110 6.939 5.618 1.00 61.42 O ATOM 1496 OE2 GLU A 95 -14.535 9.064 5.981 1.00 53.03 O ATOM 0 H GLU A 95 -11.207 6.729 1.762 1.00 13.34 H new ATOM 0 HA GLU A 95 -12.641 9.016 2.336 1.00 64.22 H new ATOM 0 HB2 GLU A 95 -12.752 6.974 3.668 1.00 53.23 H new ATOM 0 HB3 GLU A 95 -11.072 7.135 4.139 1.00 53.23 H new ATOM 0 HG2 GLU A 95 -11.673 8.341 5.921 1.00 42.15 H new ATOM 0 HG3 GLU A 95 -12.361 9.567 4.875 1.00 42.15 H new TER 1503 GLU A 95