USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 972 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 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 100 THR OG1 : rot 101:sc= 1.12 USER MOD Set 1.3: A 103 ASN : amide:sc= 1.45 K(o=3,f=-2.8) USER MOD Set 1.4: A 105 GLN : amide:sc= 0.447 K(o=3,f=-0.41) USER MOD Set 2.1: A 26 GLN : amide:sc= -0.348 K(o=0.46,f=-2.5!) USER MOD Set 2.2: A 95 TYR OH : rot 130:sc= 0.812 USER MOD Set 3.1: A 73 LYS NZ :NH3+ 148:sc= 0.889 (180deg=0) USER MOD Set 3.2: A 90 TYR OH : rot 30:sc= 0.777 USER MOD Set 4.1: A 62 HIS : no HD1:sc= -0.608 K(o=-1.3,f=0.085) USER MOD Set 4.2: A 63 GLN : amide:sc= -0.662 K(o=-1.3,f=0) USER MOD Set 5.1: A 44 ASN : amide:sc= -0.881 K(o=-1.9,f=-3.1!) USER MOD Set 5.2: A 55 SER OG : rot -26:sc= -0.97! USER MOD Set 6.1: A 27 GLN : amide:sc= -0.115 X(o=-0.54,f=-0.83) USER MOD Set 6.2: A 50 GLN : amide:sc= -0.429 K(o=-0.54,f=-1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 5 THR OG1 : rot 120:sc= 1.21 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 3:sc= 0.51 USER MOD Single : A 9 LYS NZ :NH3+ 172:sc=-0.00229 (180deg=-0.0957) USER MOD Single : A 17 THR OG1 : rot 97:sc= 1 USER MOD Single : A 20 CYS SG : rot -170:sc= -0.629 USER MOD Single : A 25 GLN : amide:sc= -0.883 K(o=-0.88,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0719 X(o=-0.072,f=0) USER MOD Single : A 38 GLN : amide:sc= 0.219 X(o=0.22,f=-0.079) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 165:sc= -0.392 USER MOD Single : A 70 SER OG : rot -91:sc= -2.42! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -1.04 K(o=-1,f=-3.7!) USER MOD Single : A 76 HIS : no HE2:sc= 1.02 K(o=1,f=-3.3!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -102:sc= 0.749 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 20:sc= 0.25 USER MOD Single : A 98 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.0088) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 107 SER OG : rot 54:sc= 0.189 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.67) USER MOD Single : A 118 SER OG : rot -37:sc= 1.25 USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HE2:sc= 0.873 K(o=0.87,f=-3.8!) USER MOD Single : A 129 HIS : no HD1:sc= -0.0531 X(o=-0.053,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.683 X(o=-0.68,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.398 -10.049 5.991 1.00 42.15 N ATOM 2 CA MET A 1 -18.042 -10.013 4.557 1.00 72.24 C ATOM 3 C MET A 1 -19.298 -9.849 3.709 1.00 41.30 C ATOM 4 O MET A 1 -20.119 -10.760 3.623 1.00 60.45 O ATOM 5 CB MET A 1 -17.297 -11.300 4.170 1.00 12.43 C ATOM 6 CG MET A 1 -16.592 -11.246 2.819 1.00 75.13 C ATOM 7 SD MET A 1 -17.721 -11.269 1.412 1.00 64.51 S ATOM 8 CE MET A 1 -16.559 -11.219 0.051 1.00 65.51 C ATOM 0 H1 MET A 1 -17.535 -10.161 6.560 1.00 42.15 H new ATOM 0 H2 MET A 1 -18.873 -9.162 6.253 1.00 42.15 H new ATOM 0 H3 MET A 1 -19.037 -10.850 6.170 1.00 42.15 H new ATOM 0 HA MET A 1 -17.387 -9.161 4.374 1.00 72.24 H new ATOM 0 HB2 MET A 1 -16.559 -11.522 4.941 1.00 12.43 H new ATOM 0 HB3 MET A 1 -18.008 -12.126 4.161 1.00 12.43 H new ATOM 0 HG2 MET A 1 -15.985 -10.342 2.772 1.00 75.13 H new ATOM 0 HG3 MET A 1 -15.910 -12.093 2.741 1.00 75.13 H new ATOM 0 HE1 MET A 1 -17.104 -11.228 -0.893 1.00 65.51 H new ATOM 0 HE2 MET A 1 -15.961 -10.310 0.116 1.00 65.51 H new ATOM 0 HE3 MET A 1 -15.904 -12.089 0.100 1.00 65.51 H new ATOM 20 N SER A 2 -19.458 -8.678 3.107 1.00 43.00 N ATOM 21 CA SER A 2 -20.574 -8.438 2.200 1.00 62.40 C ATOM 22 C SER A 2 -20.055 -7.924 0.857 1.00 2.44 C ATOM 23 O SER A 2 -19.844 -8.695 -0.077 1.00 41.32 O ATOM 24 CB SER A 2 -21.550 -7.436 2.821 1.00 23.41 C ATOM 25 OG SER A 2 -21.809 -7.750 4.180 1.00 44.25 O ATOM 0 H SER A 2 -18.832 -7.882 3.229 1.00 43.00 H new ATOM 0 HA SER A 2 -21.104 -9.375 2.031 1.00 62.40 H new ATOM 0 HB2 SER A 2 -21.137 -6.430 2.749 1.00 23.41 H new ATOM 0 HB3 SER A 2 -22.484 -7.438 2.260 1.00 23.41 H new ATOM 0 HG SER A 2 -22.434 -7.094 4.554 1.00 44.25 H new ATOM 31 N GLN A 3 -19.824 -6.621 0.774 1.00 21.02 N ATOM 32 CA GLN A 3 -19.177 -6.030 -0.391 1.00 73.24 C ATOM 33 C GLN A 3 -17.727 -5.733 -0.042 1.00 31.04 C ATOM 34 O GLN A 3 -17.044 -4.946 -0.702 1.00 13.25 O ATOM 35 CB GLN A 3 -19.898 -4.748 -0.824 1.00 73.00 C ATOM 36 CG GLN A 3 -19.881 -3.641 0.222 1.00 3.40 C ATOM 37 CD GLN A 3 -20.646 -2.413 -0.229 1.00 22.23 C ATOM 38 OE1 GLN A 3 -21.616 -2.513 -0.977 1.00 31.11 O ATOM 39 NE2 GLN A 3 -20.211 -1.245 0.216 1.00 31.34 N ATOM 0 H GLN A 3 -20.075 -5.951 1.501 1.00 21.02 H new ATOM 0 HA GLN A 3 -19.221 -6.730 -1.225 1.00 73.24 H new ATOM 0 HB2 GLN A 3 -19.437 -4.376 -1.739 1.00 73.00 H new ATOM 0 HB3 GLN A 3 -20.933 -4.990 -1.065 1.00 73.00 H new ATOM 0 HG2 GLN A 3 -20.313 -4.015 1.151 1.00 3.40 H new ATOM 0 HG3 GLN A 3 -18.849 -3.364 0.439 1.00 3.40 H new ATOM 0 HE21 GLN A 3 -19.402 -1.205 0.836 1.00 31.34 H new ATOM 0 HE22 GLN A 3 -20.685 -0.385 -0.061 1.00 31.34 H new ATOM 48 N TRP A 4 -17.272 -6.400 1.007 1.00 62.45 N ATOM 49 CA TRP A 4 -15.954 -6.180 1.570 1.00 62.53 C ATOM 50 C TRP A 4 -15.132 -7.451 1.442 1.00 50.31 C ATOM 51 O TRP A 4 -15.495 -8.482 2.004 1.00 53.04 O ATOM 52 CB TRP A 4 -16.077 -5.802 3.051 1.00 75.41 C ATOM 53 CG TRP A 4 -17.113 -4.759 3.324 1.00 60.35 C ATOM 54 CD1 TRP A 4 -18.449 -4.963 3.518 1.00 22.45 C ATOM 55 CD2 TRP A 4 -16.901 -3.352 3.444 1.00 64.02 C ATOM 56 NE1 TRP A 4 -19.081 -3.766 3.740 1.00 73.15 N ATOM 57 CE2 TRP A 4 -18.151 -2.761 3.705 1.00 3.40 C ATOM 58 CE3 TRP A 4 -15.777 -2.538 3.357 1.00 41.10 C ATOM 59 CZ2 TRP A 4 -18.302 -1.388 3.879 1.00 43.53 C ATOM 60 CZ3 TRP A 4 -15.928 -1.177 3.530 1.00 50.14 C ATOM 61 CH2 TRP A 4 -17.181 -0.615 3.789 1.00 21.23 C ATOM 0 H TRP A 4 -17.813 -7.114 1.494 1.00 62.45 H new ATOM 0 HA TRP A 4 -15.464 -5.369 1.031 1.00 62.53 H new ATOM 0 HB2 TRP A 4 -16.315 -6.697 3.626 1.00 75.41 H new ATOM 0 HB3 TRP A 4 -15.111 -5.443 3.406 1.00 75.41 H new ATOM 0 HD1 TRP A 4 -18.937 -5.926 3.499 1.00 22.45 H new ATOM 0 HE1 TRP A 4 -20.080 -3.644 3.904 1.00 73.15 H new ATOM 0 HE3 TRP A 4 -14.804 -2.963 3.158 1.00 41.10 H new ATOM 0 HZ2 TRP A 4 -19.270 -0.951 4.078 1.00 43.53 H new ATOM 0 HZ3 TRP A 4 -15.062 -0.535 3.464 1.00 50.14 H new ATOM 0 HH2 TRP A 4 -17.264 0.454 3.921 1.00 21.23 H new ATOM 72 N THR A 5 -14.043 -7.390 0.699 1.00 70.13 N ATOM 73 CA THR A 5 -13.181 -8.545 0.546 1.00 71.24 C ATOM 74 C THR A 5 -12.137 -8.558 1.663 1.00 14.32 C ATOM 75 O THR A 5 -11.595 -7.514 2.039 1.00 31.23 O ATOM 76 CB THR A 5 -12.513 -8.577 -0.852 1.00 24.31 C ATOM 77 OG1 THR A 5 -11.591 -9.668 -0.948 1.00 2.04 O ATOM 78 CG2 THR A 5 -11.799 -7.272 -1.157 1.00 61.02 C ATOM 0 H THR A 5 -13.736 -6.558 0.195 1.00 70.13 H new ATOM 0 HA THR A 5 -13.790 -9.446 0.623 1.00 71.24 H new ATOM 0 HB THR A 5 -13.306 -8.714 -1.588 1.00 24.31 H new ATOM 0 HG1 THR A 5 -11.868 -10.267 -1.672 1.00 2.04 H new ATOM 0 HG21 THR A 5 -11.342 -7.330 -2.145 1.00 61.02 H new ATOM 0 HG22 THR A 5 -12.516 -6.451 -1.136 1.00 61.02 H new ATOM 0 HG23 THR A 5 -11.026 -7.097 -0.409 1.00 61.02 H new ATOM 86 N THR A 6 -11.888 -9.737 2.212 1.00 1.14 N ATOM 87 CA THR A 6 -11.007 -9.879 3.358 1.00 14.04 C ATOM 88 C THR A 6 -9.545 -9.848 2.926 1.00 73.01 C ATOM 89 O THR A 6 -9.119 -10.649 2.095 1.00 21.54 O ATOM 90 CB THR A 6 -11.298 -11.195 4.102 1.00 54.12 C ATOM 91 OG1 THR A 6 -12.711 -11.326 4.306 1.00 55.34 O ATOM 92 CG2 THR A 6 -10.584 -11.232 5.446 1.00 65.02 C ATOM 0 H THR A 6 -12.287 -10.614 1.879 1.00 1.14 H new ATOM 0 HA THR A 6 -11.193 -9.040 4.029 1.00 14.04 H new ATOM 0 HB THR A 6 -10.931 -12.023 3.495 1.00 54.12 H new ATOM 0 HG1 THR A 6 -12.897 -12.164 4.778 1.00 55.34 H new ATOM 0 HG21 THR A 6 -10.807 -12.172 5.951 1.00 65.02 H new ATOM 0 HG22 THR A 6 -9.508 -11.150 5.289 1.00 65.02 H new ATOM 0 HG23 THR A 6 -10.925 -10.400 6.062 1.00 65.02 H new ATOM 100 N VAL A 7 -8.784 -8.916 3.485 1.00 61.30 N ATOM 101 CA VAL A 7 -7.374 -8.785 3.151 1.00 41.22 C ATOM 102 C VAL A 7 -6.528 -9.721 4.007 1.00 4.12 C ATOM 103 O VAL A 7 -6.162 -10.817 3.577 1.00 51.11 O ATOM 104 CB VAL A 7 -6.875 -7.337 3.350 1.00 43.34 C ATOM 105 CG1 VAL A 7 -5.442 -7.184 2.867 1.00 74.01 C ATOM 106 CG2 VAL A 7 -7.784 -6.351 2.642 1.00 11.51 C ATOM 0 H VAL A 7 -9.120 -8.241 4.171 1.00 61.30 H new ATOM 0 HA VAL A 7 -7.270 -9.052 2.099 1.00 41.22 H new ATOM 0 HB VAL A 7 -6.899 -7.119 4.418 1.00 43.34 H new ATOM 0 HG11 VAL A 7 -5.115 -6.155 3.018 1.00 74.01 H new ATOM 0 HG12 VAL A 7 -4.795 -7.857 3.429 1.00 74.01 H new ATOM 0 HG13 VAL A 7 -5.387 -7.430 1.806 1.00 74.01 H new ATOM 0 HG21 VAL A 7 -7.412 -5.338 2.796 1.00 11.51 H new ATOM 0 HG22 VAL A 7 -7.800 -6.573 1.575 1.00 11.51 H new ATOM 0 HG23 VAL A 7 -8.793 -6.433 3.045 1.00 11.51 H new ATOM 116 N CYS A 8 -6.242 -9.285 5.224 1.00 40.11 N ATOM 117 CA CYS A 8 -5.416 -10.040 6.153 1.00 31.03 C ATOM 118 C CYS A 8 -5.756 -9.630 7.582 1.00 71.52 C ATOM 119 O CYS A 8 -6.641 -8.796 7.799 1.00 30.11 O ATOM 120 CB CYS A 8 -3.923 -9.790 5.877 1.00 23.41 C ATOM 121 SG CYS A 8 -3.357 -10.343 4.248 1.00 51.52 S ATOM 0 H CYS A 8 -6.577 -8.396 5.596 1.00 40.11 H new ATOM 0 HA CYS A 8 -5.617 -11.103 6.020 1.00 31.03 H new ATOM 0 HB2 CYS A 8 -3.722 -8.723 5.974 1.00 23.41 H new ATOM 0 HB3 CYS A 8 -3.335 -10.296 6.643 1.00 23.41 H new ATOM 0 HG CYS A 8 -4.365 -10.811 3.574 1.00 51.52 H new ATOM 127 N LYS A 9 -5.063 -10.217 8.548 1.00 3.10 N ATOM 128 CA LYS A 9 -5.261 -9.872 9.946 1.00 44.32 C ATOM 129 C LYS A 9 -4.707 -8.483 10.241 1.00 70.15 C ATOM 130 O LYS A 9 -3.719 -8.053 9.645 1.00 24.52 O ATOM 131 CB LYS A 9 -4.597 -10.908 10.855 1.00 32.30 C ATOM 132 CG LYS A 9 -5.303 -12.256 10.862 1.00 72.11 C ATOM 133 CD LYS A 9 -4.545 -13.294 11.682 1.00 72.33 C ATOM 134 CE LYS A 9 -4.358 -12.861 13.130 1.00 23.35 C ATOM 135 NZ LYS A 9 -5.654 -12.605 13.812 1.00 34.14 N ATOM 0 H LYS A 9 -4.357 -10.936 8.387 1.00 3.10 H new ATOM 0 HA LYS A 9 -6.333 -9.868 10.146 1.00 44.32 H new ATOM 0 HB2 LYS A 9 -3.564 -11.050 10.536 1.00 32.30 H new ATOM 0 HB3 LYS A 9 -4.565 -10.519 11.873 1.00 32.30 H new ATOM 0 HG2 LYS A 9 -6.308 -12.137 11.268 1.00 72.11 H new ATOM 0 HG3 LYS A 9 -5.413 -12.613 9.838 1.00 72.11 H new ATOM 0 HD2 LYS A 9 -5.085 -14.240 11.655 1.00 72.33 H new ATOM 0 HD3 LYS A 9 -3.570 -13.470 11.229 1.00 72.33 H new ATOM 0 HE2 LYS A 9 -3.811 -13.634 13.671 1.00 23.35 H new ATOM 0 HE3 LYS A 9 -3.748 -11.958 13.161 1.00 23.35 H new ATOM 0 HZ1 LYS A 9 -5.487 -12.446 14.826 1.00 34.14 H new ATOM 0 HZ2 LYS A 9 -6.103 -11.763 13.399 1.00 34.14 H new ATOM 0 HZ3 LYS A 9 -6.279 -13.427 13.689 1.00 34.14 H new ATOM 149 N LEU A 10 -5.350 -7.795 11.169 1.00 42.13 N ATOM 150 CA LEU A 10 -4.963 -6.439 11.544 1.00 75.32 C ATOM 151 C LEU A 10 -3.593 -6.429 12.217 1.00 20.05 C ATOM 152 O LEU A 10 -2.854 -5.450 12.142 1.00 3.22 O ATOM 153 CB LEU A 10 -6.010 -5.850 12.494 1.00 51.01 C ATOM 154 CG LEU A 10 -5.753 -4.411 12.947 1.00 74.33 C ATOM 155 CD1 LEU A 10 -5.915 -3.446 11.785 1.00 64.44 C ATOM 156 CD2 LEU A 10 -6.688 -4.031 14.082 1.00 62.43 C ATOM 0 H LEU A 10 -6.153 -8.156 11.684 1.00 42.13 H new ATOM 0 HA LEU A 10 -4.905 -5.834 10.639 1.00 75.32 H new ATOM 0 HB2 LEU A 10 -6.983 -5.890 12.004 1.00 51.01 H new ATOM 0 HB3 LEU A 10 -6.072 -6.485 13.378 1.00 51.01 H new ATOM 0 HG LEU A 10 -4.727 -4.348 13.309 1.00 74.33 H new ATOM 0 HD11 LEU A 10 -5.728 -2.428 12.128 1.00 64.44 H new ATOM 0 HD12 LEU A 10 -5.204 -3.700 10.999 1.00 64.44 H new ATOM 0 HD13 LEU A 10 -6.930 -3.516 11.393 1.00 64.44 H new ATOM 0 HD21 LEU A 10 -6.489 -3.004 14.389 1.00 62.43 H new ATOM 0 HD22 LEU A 10 -7.721 -4.115 13.746 1.00 62.43 H new ATOM 0 HD23 LEU A 10 -6.526 -4.700 14.927 1.00 62.43 H new ATOM 168 N ASP A 11 -3.252 -7.546 12.842 1.00 61.11 N ATOM 169 CA ASP A 11 -2.039 -7.654 13.641 1.00 52.23 C ATOM 170 C ASP A 11 -0.923 -8.303 12.839 1.00 71.03 C ATOM 171 O ASP A 11 0.225 -8.359 13.284 1.00 45.21 O ATOM 172 CB ASP A 11 -2.307 -8.457 14.919 1.00 54.13 C ATOM 173 CG ASP A 11 -2.844 -9.843 14.635 1.00 72.10 C ATOM 174 OD1 ASP A 11 -4.073 -9.981 14.443 1.00 40.41 O ATOM 175 OD2 ASP A 11 -2.047 -10.800 14.607 1.00 10.32 O ATOM 0 H ASP A 11 -3.806 -8.402 12.810 1.00 61.11 H new ATOM 0 HA ASP A 11 -1.725 -6.648 13.919 1.00 52.23 H new ATOM 0 HB2 ASP A 11 -1.383 -8.540 15.492 1.00 54.13 H new ATOM 0 HB3 ASP A 11 -3.020 -7.916 15.541 1.00 54.13 H new ATOM 180 N ASP A 12 -1.267 -8.800 11.656 1.00 73.12 N ATOM 181 CA ASP A 12 -0.266 -9.311 10.728 1.00 30.24 C ATOM 182 C ASP A 12 0.596 -8.157 10.252 1.00 42.23 C ATOM 183 O ASP A 12 1.782 -8.317 9.961 1.00 60.15 O ATOM 184 CB ASP A 12 -0.937 -9.996 9.531 1.00 74.33 C ATOM 185 CG ASP A 12 0.047 -10.350 8.428 1.00 52.54 C ATOM 186 OD1 ASP A 12 0.609 -11.467 8.454 1.00 14.32 O ATOM 187 OD2 ASP A 12 0.259 -9.517 7.524 1.00 4.12 O ATOM 0 H ASP A 12 -2.228 -8.860 11.318 1.00 73.12 H new ATOM 0 HA ASP A 12 0.353 -10.050 11.237 1.00 30.24 H new ATOM 0 HB2 ASP A 12 -1.437 -10.903 9.871 1.00 74.33 H new ATOM 0 HB3 ASP A 12 -1.708 -9.339 9.127 1.00 74.33 H new ATOM 192 N ILE A 13 -0.018 -6.985 10.214 1.00 55.12 N ATOM 193 CA ILE A 13 0.662 -5.775 9.783 1.00 30.43 C ATOM 194 C ILE A 13 1.040 -4.931 10.994 1.00 53.02 C ATOM 195 O ILE A 13 0.197 -4.633 11.840 1.00 41.11 O ATOM 196 CB ILE A 13 -0.223 -4.955 8.822 1.00 34.45 C ATOM 197 CG1 ILE A 13 -0.626 -5.820 7.623 1.00 21.31 C ATOM 198 CG2 ILE A 13 0.508 -3.697 8.359 1.00 11.34 C ATOM 199 CD1 ILE A 13 -1.597 -5.145 6.682 1.00 3.43 C ATOM 0 H ILE A 13 -0.993 -6.846 10.479 1.00 55.12 H new ATOM 0 HA ILE A 13 1.567 -6.064 9.249 1.00 30.43 H new ATOM 0 HB ILE A 13 -1.124 -4.644 9.350 1.00 34.45 H new ATOM 0 HG12 ILE A 13 0.271 -6.096 7.068 1.00 21.31 H new ATOM 0 HG13 ILE A 13 -1.072 -6.745 7.988 1.00 21.31 H new ATOM 0 HG21 ILE A 13 -0.133 -3.132 7.682 1.00 11.34 H new ATOM 0 HG22 ILE A 13 0.755 -3.081 9.223 1.00 11.34 H new ATOM 0 HG23 ILE A 13 1.424 -3.979 7.841 1.00 11.34 H new ATOM 0 HD11 ILE A 13 -1.835 -5.819 5.859 1.00 3.43 H new ATOM 0 HD12 ILE A 13 -2.511 -4.894 7.221 1.00 3.43 H new ATOM 0 HD13 ILE A 13 -1.147 -4.234 6.287 1.00 3.43 H new ATOM 211 N LEU A 14 2.308 -4.563 11.079 1.00 74.41 N ATOM 212 CA LEU A 14 2.822 -3.840 12.228 1.00 41.03 C ATOM 213 C LEU A 14 2.737 -2.330 12.013 1.00 23.45 C ATOM 214 O LEU A 14 2.892 -1.844 10.890 1.00 14.02 O ATOM 215 CB LEU A 14 4.269 -4.261 12.481 1.00 40.41 C ATOM 216 CG LEU A 14 4.473 -5.760 12.715 1.00 3.22 C ATOM 217 CD1 LEU A 14 5.946 -6.070 12.888 1.00 62.50 C ATOM 218 CD2 LEU A 14 3.683 -6.226 13.930 1.00 43.52 C ATOM 0 H LEU A 14 3.004 -4.756 10.359 1.00 74.41 H new ATOM 0 HA LEU A 14 2.212 -4.084 13.098 1.00 41.03 H new ATOM 0 HB2 LEU A 14 4.875 -3.955 11.628 1.00 40.41 H new ATOM 0 HB3 LEU A 14 4.643 -3.718 13.349 1.00 40.41 H new ATOM 0 HG LEU A 14 4.105 -6.299 11.842 1.00 3.22 H new ATOM 0 HD11 LEU A 14 6.076 -7.140 13.054 1.00 62.50 H new ATOM 0 HD12 LEU A 14 6.488 -5.773 11.990 1.00 62.50 H new ATOM 0 HD13 LEU A 14 6.335 -5.520 13.745 1.00 62.50 H new ATOM 0 HD21 LEU A 14 3.841 -7.294 14.079 1.00 43.52 H new ATOM 0 HD22 LEU A 14 4.019 -5.682 14.813 1.00 43.52 H new ATOM 0 HD23 LEU A 14 2.622 -6.036 13.769 1.00 43.52 H new ATOM 230 N PRO A 15 2.468 -1.571 13.092 1.00 14.51 N ATOM 231 CA PRO A 15 2.412 -0.105 13.048 1.00 3.24 C ATOM 232 C PRO A 15 3.721 0.512 12.568 1.00 30.12 C ATOM 233 O PRO A 15 4.801 -0.031 12.810 1.00 34.22 O ATOM 234 CB PRO A 15 2.137 0.292 14.502 1.00 22.31 C ATOM 235 CG PRO A 15 1.534 -0.920 15.121 1.00 75.42 C ATOM 236 CD PRO A 15 2.185 -2.087 14.441 1.00 0.20 C ATOM 0 HA PRO A 15 1.655 0.248 12.347 1.00 3.24 H new ATOM 0 HB2 PRO A 15 3.055 0.582 15.013 1.00 22.31 H new ATOM 0 HB3 PRO A 15 1.459 1.143 14.558 1.00 22.31 H new ATOM 0 HG2 PRO A 15 1.714 -0.942 16.196 1.00 75.42 H new ATOM 0 HG3 PRO A 15 0.453 -0.936 14.979 1.00 75.42 H new ATOM 0 HD2 PRO A 15 3.096 -2.396 14.954 1.00 0.20 H new ATOM 0 HD3 PRO A 15 1.526 -2.955 14.411 1.00 0.20 H new ATOM 244 N GLY A 16 3.616 1.644 11.886 1.00 72.11 N ATOM 245 CA GLY A 16 4.787 2.300 11.346 1.00 43.25 C ATOM 246 C GLY A 16 5.251 1.654 10.056 1.00 33.41 C ATOM 247 O GLY A 16 6.431 1.728 9.705 1.00 70.43 O ATOM 0 H GLY A 16 2.735 2.121 11.697 1.00 72.11 H new ATOM 0 HA2 GLY A 16 4.564 3.352 11.166 1.00 43.25 H new ATOM 0 HA3 GLY A 16 5.593 2.266 12.079 1.00 43.25 H new ATOM 251 N THR A 17 4.320 1.026 9.344 1.00 74.31 N ATOM 252 CA THR A 17 4.648 0.302 8.124 1.00 53.40 C ATOM 253 C THR A 17 3.550 0.511 7.075 1.00 24.34 C ATOM 254 O THR A 17 2.566 1.204 7.333 1.00 4.53 O ATOM 255 CB THR A 17 4.815 -1.208 8.416 1.00 40.13 C ATOM 256 OG1 THR A 17 5.363 -1.395 9.728 1.00 12.54 O ATOM 257 CG2 THR A 17 5.733 -1.869 7.394 1.00 43.31 C ATOM 0 H THR A 17 3.331 1.005 9.593 1.00 74.31 H new ATOM 0 HA THR A 17 5.591 0.689 7.737 1.00 53.40 H new ATOM 0 HB THR A 17 3.830 -1.671 8.353 1.00 40.13 H new ATOM 0 HG1 THR A 17 4.639 -1.579 10.362 1.00 12.54 H new ATOM 0 HG21 THR A 17 5.831 -2.930 7.625 1.00 43.31 H new ATOM 0 HG22 THR A 17 5.310 -1.753 6.396 1.00 43.31 H new ATOM 0 HG23 THR A 17 6.715 -1.398 7.429 1.00 43.31 H new ATOM 265 N GLY A 18 3.731 -0.069 5.897 1.00 1.33 N ATOM 266 CA GLY A 18 2.732 0.043 4.852 1.00 60.22 C ATOM 267 C GLY A 18 3.194 -0.595 3.560 1.00 54.41 C ATOM 268 O GLY A 18 4.052 -0.046 2.872 1.00 4.22 O ATOM 0 H GLY A 18 4.554 -0.617 5.645 1.00 1.33 H new ATOM 0 HA2 GLY A 18 1.807 -0.431 5.181 1.00 60.22 H new ATOM 0 HA3 GLY A 18 2.506 1.095 4.677 1.00 60.22 H new ATOM 272 N VAL A 19 2.646 -1.761 3.240 1.00 73.13 N ATOM 273 CA VAL A 19 3.015 -2.470 2.021 1.00 34.42 C ATOM 274 C VAL A 19 1.786 -3.015 1.311 1.00 50.11 C ATOM 275 O VAL A 19 0.680 -2.987 1.856 1.00 20.35 O ATOM 276 CB VAL A 19 3.998 -3.634 2.292 1.00 24.32 C ATOM 277 CG1 VAL A 19 5.341 -3.111 2.771 1.00 15.11 C ATOM 278 CG2 VAL A 19 3.411 -4.611 3.301 1.00 31.31 C ATOM 0 H VAL A 19 1.944 -2.236 3.808 1.00 73.13 H new ATOM 0 HA VAL A 19 3.514 -1.740 1.384 1.00 34.42 H new ATOM 0 HB VAL A 19 4.158 -4.165 1.354 1.00 24.32 H new ATOM 0 HG11 VAL A 19 6.013 -3.949 2.954 1.00 15.11 H new ATOM 0 HG12 VAL A 19 5.771 -2.461 2.009 1.00 15.11 H new ATOM 0 HG13 VAL A 19 5.204 -2.547 3.694 1.00 15.11 H new ATOM 0 HG21 VAL A 19 4.118 -5.421 3.477 1.00 31.31 H new ATOM 0 HG22 VAL A 19 3.214 -4.091 4.239 1.00 31.31 H new ATOM 0 HG23 VAL A 19 2.479 -5.021 2.911 1.00 31.31 H new ATOM 288 N CYS A 20 1.988 -3.511 0.098 1.00 21.42 N ATOM 289 CA CYS A 20 0.900 -4.046 -0.700 1.00 65.43 C ATOM 290 C CYS A 20 0.587 -5.492 -0.324 1.00 24.34 C ATOM 291 O CYS A 20 1.487 -6.319 -0.162 1.00 34.33 O ATOM 292 CB CYS A 20 1.253 -3.955 -2.184 1.00 74.35 C ATOM 293 SG CYS A 20 2.878 -4.633 -2.598 1.00 23.11 S ATOM 0 H CYS A 20 2.901 -3.553 -0.354 1.00 21.42 H new ATOM 0 HA CYS A 20 0.010 -3.450 -0.499 1.00 65.43 H new ATOM 0 HB2 CYS A 20 0.493 -4.483 -2.760 1.00 74.35 H new ATOM 0 HB3 CYS A 20 1.218 -2.910 -2.492 1.00 74.35 H new ATOM 0 HG CYS A 20 3.176 -4.326 -3.825 1.00 23.11 H new ATOM 299 N ALA A 21 -0.693 -5.784 -0.174 1.00 73.44 N ATOM 300 CA ALA A 21 -1.147 -7.140 0.072 1.00 70.52 C ATOM 301 C ALA A 21 -1.922 -7.648 -1.137 1.00 74.11 C ATOM 302 O ALA A 21 -2.635 -6.882 -1.795 1.00 65.43 O ATOM 303 CB ALA A 21 -2.005 -7.195 1.329 1.00 1.23 C ATOM 0 H ALA A 21 -1.442 -5.093 -0.219 1.00 73.44 H new ATOM 0 HA ALA A 21 -0.282 -7.784 0.229 1.00 70.52 H new ATOM 0 HB1 ALA A 21 -2.337 -8.219 1.498 1.00 1.23 H new ATOM 0 HB2 ALA A 21 -1.420 -6.857 2.184 1.00 1.23 H new ATOM 0 HB3 ALA A 21 -2.873 -6.548 1.205 1.00 1.23 H new ATOM 309 N LEU A 22 -1.766 -8.928 -1.439 1.00 34.20 N ATOM 310 CA LEU A 22 -2.442 -9.530 -2.580 1.00 0.23 C ATOM 311 C LEU A 22 -3.897 -9.816 -2.223 1.00 73.04 C ATOM 312 O LEU A 22 -4.203 -10.800 -1.548 1.00 3.50 O ATOM 313 CB LEU A 22 -1.710 -10.816 -3.009 1.00 1.21 C ATOM 314 CG LEU A 22 -2.069 -11.383 -4.396 1.00 51.52 C ATOM 315 CD1 LEU A 22 -3.414 -12.097 -4.377 1.00 72.05 C ATOM 316 CD2 LEU A 22 -2.077 -10.275 -5.440 1.00 43.31 C ATOM 0 H LEU A 22 -1.177 -9.571 -0.910 1.00 34.20 H new ATOM 0 HA LEU A 22 -2.425 -8.837 -3.421 1.00 0.23 H new ATOM 0 HB2 LEU A 22 -0.638 -10.621 -2.987 1.00 1.21 H new ATOM 0 HB3 LEU A 22 -1.909 -11.586 -2.264 1.00 1.21 H new ATOM 0 HG LEU A 22 -1.305 -12.114 -4.661 1.00 51.52 H new ATOM 0 HD11 LEU A 22 -3.635 -12.484 -5.372 1.00 72.05 H new ATOM 0 HD12 LEU A 22 -3.378 -12.923 -3.666 1.00 72.05 H new ATOM 0 HD13 LEU A 22 -4.194 -11.396 -4.079 1.00 72.05 H new ATOM 0 HD21 LEU A 22 -2.332 -10.694 -6.413 1.00 43.31 H new ATOM 0 HD22 LEU A 22 -2.814 -9.521 -5.165 1.00 43.31 H new ATOM 0 HD23 LEU A 22 -1.090 -9.816 -5.491 1.00 43.31 H new ATOM 328 N VAL A 23 -4.787 -8.938 -2.659 1.00 34.15 N ATOM 329 CA VAL A 23 -6.203 -9.089 -2.378 1.00 5.23 C ATOM 330 C VAL A 23 -6.918 -9.650 -3.600 1.00 3.51 C ATOM 331 O VAL A 23 -7.487 -8.902 -4.400 1.00 35.03 O ATOM 332 CB VAL A 23 -6.856 -7.755 -1.958 1.00 4.41 C ATOM 333 CG1 VAL A 23 -8.285 -7.979 -1.485 1.00 10.53 C ATOM 334 CG2 VAL A 23 -6.036 -7.076 -0.874 1.00 3.43 C ATOM 0 H VAL A 23 -4.551 -8.112 -3.210 1.00 34.15 H new ATOM 0 HA VAL A 23 -6.299 -9.782 -1.542 1.00 5.23 H new ATOM 0 HB VAL A 23 -6.884 -7.101 -2.829 1.00 4.41 H new ATOM 0 HG11 VAL A 23 -8.726 -7.025 -1.194 1.00 10.53 H new ATOM 0 HG12 VAL A 23 -8.871 -8.418 -2.292 1.00 10.53 H new ATOM 0 HG13 VAL A 23 -8.283 -8.654 -0.629 1.00 10.53 H new ATOM 0 HG21 VAL A 23 -6.513 -6.137 -0.591 1.00 3.43 H new ATOM 0 HG22 VAL A 23 -5.974 -7.728 -0.003 1.00 3.43 H new ATOM 0 HG23 VAL A 23 -5.033 -6.875 -1.249 1.00 3.43 H new ATOM 344 N GLU A 24 -6.829 -10.971 -3.751 1.00 72.41 N ATOM 345 CA GLU A 24 -7.461 -11.703 -4.850 1.00 64.31 C ATOM 346 C GLU A 24 -6.875 -11.322 -6.212 1.00 23.24 C ATOM 347 O GLU A 24 -6.107 -12.084 -6.797 1.00 53.12 O ATOM 348 CB GLU A 24 -8.982 -11.503 -4.844 1.00 71.21 C ATOM 349 CG GLU A 24 -9.650 -12.016 -3.577 1.00 11.11 C ATOM 350 CD GLU A 24 -11.160 -11.929 -3.633 1.00 4.34 C ATOM 351 OE1 GLU A 24 -11.717 -10.878 -3.266 1.00 61.24 O ATOM 352 OE2 GLU A 24 -11.802 -12.920 -4.047 1.00 61.23 O ATOM 0 H GLU A 24 -6.311 -11.570 -3.108 1.00 72.41 H new ATOM 0 HA GLU A 24 -7.248 -12.760 -4.688 1.00 64.31 H new ATOM 0 HB2 GLU A 24 -9.203 -10.442 -4.959 1.00 71.21 H new ATOM 0 HB3 GLU A 24 -9.412 -12.013 -5.706 1.00 71.21 H new ATOM 0 HG2 GLU A 24 -9.356 -13.053 -3.411 1.00 11.11 H new ATOM 0 HG3 GLU A 24 -9.289 -11.442 -2.724 1.00 11.11 H new ATOM 359 N GLN A 25 -7.232 -10.148 -6.712 1.00 21.21 N ATOM 360 CA GLN A 25 -6.795 -9.719 -8.035 1.00 33.52 C ATOM 361 C GLN A 25 -5.917 -8.472 -7.958 1.00 2.42 C ATOM 362 O GLN A 25 -4.972 -8.324 -8.729 1.00 52.23 O ATOM 363 CB GLN A 25 -8.005 -9.449 -8.930 1.00 41.40 C ATOM 364 CG GLN A 25 -8.904 -10.661 -9.123 1.00 61.50 C ATOM 365 CD GLN A 25 -10.087 -10.390 -10.039 1.00 11.44 C ATOM 366 OE1 GLN A 25 -10.576 -11.292 -10.720 1.00 74.14 O ATOM 367 NE2 GLN A 25 -10.562 -9.155 -10.060 1.00 40.43 N ATOM 0 H GLN A 25 -7.822 -9.475 -6.223 1.00 21.21 H new ATOM 0 HA GLN A 25 -6.200 -10.525 -8.465 1.00 33.52 H new ATOM 0 HB2 GLN A 25 -8.591 -8.638 -8.499 1.00 41.40 H new ATOM 0 HB3 GLN A 25 -7.656 -9.107 -9.904 1.00 41.40 H new ATOM 0 HG2 GLN A 25 -8.315 -11.481 -9.534 1.00 61.50 H new ATOM 0 HG3 GLN A 25 -9.273 -10.990 -8.152 1.00 61.50 H new ATOM 0 HE21 GLN A 25 -10.131 -8.433 -9.482 1.00 40.43 H new ATOM 0 HE22 GLN A 25 -11.359 -8.925 -10.654 1.00 40.43 H new ATOM 376 N GLN A 26 -6.226 -7.584 -7.022 1.00 42.24 N ATOM 377 CA GLN A 26 -5.529 -6.309 -6.925 1.00 41.34 C ATOM 378 C GLN A 26 -4.529 -6.297 -5.780 1.00 31.54 C ATOM 379 O GLN A 26 -4.683 -7.020 -4.793 1.00 60.33 O ATOM 380 CB GLN A 26 -6.523 -5.165 -6.717 1.00 3.44 C ATOM 381 CG GLN A 26 -7.371 -4.838 -7.932 1.00 53.20 C ATOM 382 CD GLN A 26 -8.263 -3.629 -7.705 1.00 21.14 C ATOM 383 OE1 GLN A 26 -8.561 -2.880 -8.631 1.00 71.41 O ATOM 384 NE2 GLN A 26 -8.703 -3.432 -6.469 1.00 14.51 N ATOM 0 H GLN A 26 -6.953 -7.723 -6.321 1.00 42.24 H new ATOM 0 HA GLN A 26 -4.992 -6.172 -7.864 1.00 41.34 H new ATOM 0 HB2 GLN A 26 -7.183 -5.420 -5.888 1.00 3.44 H new ATOM 0 HB3 GLN A 26 -5.972 -4.271 -6.423 1.00 3.44 H new ATOM 0 HG2 GLN A 26 -6.721 -4.651 -8.787 1.00 53.20 H new ATOM 0 HG3 GLN A 26 -7.989 -5.700 -8.184 1.00 53.20 H new ATOM 0 HE21 GLN A 26 -8.435 -4.075 -5.724 1.00 14.51 H new ATOM 0 HE22 GLN A 26 -9.309 -2.638 -6.264 1.00 14.51 H new ATOM 393 N GLN A 27 -3.507 -5.465 -5.920 1.00 51.20 N ATOM 394 CA GLN A 27 -2.581 -5.198 -4.833 1.00 14.42 C ATOM 395 C GLN A 27 -3.041 -3.955 -4.080 1.00 60.22 C ATOM 396 O GLN A 27 -3.108 -2.867 -4.650 1.00 50.01 O ATOM 397 CB GLN A 27 -1.150 -4.978 -5.348 1.00 41.43 C ATOM 398 CG GLN A 27 -0.454 -6.222 -5.888 1.00 41.41 C ATOM 399 CD GLN A 27 -0.938 -6.635 -7.266 1.00 51.20 C ATOM 400 OE1 GLN A 27 -1.861 -7.437 -7.401 1.00 11.23 O ATOM 401 NE2 GLN A 27 -0.320 -6.086 -8.300 1.00 13.15 N ATOM 0 H GLN A 27 -3.299 -4.961 -6.782 1.00 51.20 H new ATOM 0 HA GLN A 27 -2.572 -6.065 -4.173 1.00 14.42 H new ATOM 0 HB2 GLN A 27 -1.177 -4.226 -6.136 1.00 41.43 H new ATOM 0 HB3 GLN A 27 -0.548 -4.568 -4.537 1.00 41.43 H new ATOM 0 HG2 GLN A 27 0.620 -6.040 -5.928 1.00 41.41 H new ATOM 0 HG3 GLN A 27 -0.611 -7.047 -5.194 1.00 41.41 H new ATOM 0 HE21 GLN A 27 0.441 -5.425 -8.147 1.00 13.15 H new ATOM 0 HE22 GLN A 27 -0.605 -6.324 -9.250 1.00 13.15 H new ATOM 410 N ILE A 28 -3.382 -4.118 -2.815 1.00 51.04 N ATOM 411 CA ILE A 28 -3.800 -2.992 -1.991 1.00 70.25 C ATOM 412 C ILE A 28 -2.764 -2.742 -0.904 1.00 22.54 C ATOM 413 O ILE A 28 -2.377 -3.661 -0.186 1.00 21.20 O ATOM 414 CB ILE A 28 -5.195 -3.220 -1.344 1.00 34.50 C ATOM 415 CG1 ILE A 28 -6.323 -3.101 -2.380 1.00 24.21 C ATOM 416 CG2 ILE A 28 -5.434 -2.239 -0.208 1.00 55.34 C ATOM 417 CD1 ILE A 28 -6.463 -4.304 -3.285 1.00 73.43 C ATOM 0 H ILE A 28 -3.379 -5.017 -2.333 1.00 51.04 H new ATOM 0 HA ILE A 28 -3.881 -2.121 -2.642 1.00 70.25 H new ATOM 0 HB ILE A 28 -5.202 -4.234 -0.944 1.00 34.50 H new ATOM 0 HG12 ILE A 28 -7.266 -2.942 -1.857 1.00 24.21 H new ATOM 0 HG13 ILE A 28 -6.146 -2.218 -2.993 1.00 24.21 H new ATOM 0 HG21 ILE A 28 -6.417 -2.419 0.228 1.00 55.34 H new ATOM 0 HG22 ILE A 28 -4.668 -2.373 0.556 1.00 55.34 H new ATOM 0 HG23 ILE A 28 -5.389 -1.220 -0.592 1.00 55.34 H new ATOM 0 HD11 ILE A 28 -7.281 -4.139 -3.986 1.00 73.43 H new ATOM 0 HD12 ILE A 28 -5.536 -4.453 -3.838 1.00 73.43 H new ATOM 0 HD13 ILE A 28 -6.673 -5.189 -2.684 1.00 73.43 H new ATOM 429 N ALA A 29 -2.309 -1.503 -0.804 1.00 50.20 N ATOM 430 CA ALA A 29 -1.328 -1.131 0.197 1.00 71.32 C ATOM 431 C ALA A 29 -2.025 -0.772 1.490 1.00 0.11 C ATOM 432 O ALA A 29 -2.979 0.005 1.493 1.00 52.41 O ATOM 433 CB ALA A 29 -0.480 0.035 -0.283 1.00 42.34 C ATOM 0 H ALA A 29 -2.606 -0.737 -1.408 1.00 50.20 H new ATOM 0 HA ALA A 29 -0.669 -1.982 0.369 1.00 71.32 H new ATOM 0 HB1 ALA A 29 0.248 0.296 0.485 1.00 42.34 H new ATOM 0 HB2 ALA A 29 0.042 -0.247 -1.197 1.00 42.34 H new ATOM 0 HB3 ALA A 29 -1.121 0.894 -0.481 1.00 42.34 H new ATOM 439 N VAL A 30 -1.555 -1.338 2.582 1.00 22.44 N ATOM 440 CA VAL A 30 -2.176 -1.099 3.871 1.00 3.02 C ATOM 441 C VAL A 30 -1.260 -0.255 4.742 1.00 72.02 C ATOM 442 O VAL A 30 -0.323 -0.765 5.359 1.00 60.03 O ATOM 443 CB VAL A 30 -2.525 -2.411 4.606 1.00 4.43 C ATOM 444 CG1 VAL A 30 -3.310 -2.115 5.879 1.00 64.14 C ATOM 445 CG2 VAL A 30 -3.308 -3.349 3.696 1.00 43.41 C ATOM 0 H VAL A 30 -0.750 -1.964 2.605 1.00 22.44 H new ATOM 0 HA VAL A 30 -3.109 -0.567 3.685 1.00 3.02 H new ATOM 0 HB VAL A 30 -1.595 -2.907 4.882 1.00 4.43 H new ATOM 0 HG11 VAL A 30 -3.548 -3.050 6.385 1.00 64.14 H new ATOM 0 HG12 VAL A 30 -2.710 -1.488 6.539 1.00 64.14 H new ATOM 0 HG13 VAL A 30 -4.233 -1.595 5.624 1.00 64.14 H new ATOM 0 HG21 VAL A 30 -3.543 -4.267 4.235 1.00 43.41 H new ATOM 0 HG22 VAL A 30 -4.233 -2.865 3.384 1.00 43.41 H new ATOM 0 HG23 VAL A 30 -2.709 -3.588 2.817 1.00 43.41 H new ATOM 455 N PHE A 31 -1.522 1.040 4.755 1.00 44.25 N ATOM 456 CA PHE A 31 -0.742 1.975 5.544 1.00 31.41 C ATOM 457 C PHE A 31 -1.054 1.823 7.020 1.00 2.22 C ATOM 458 O PHE A 31 -2.206 1.603 7.408 1.00 32.21 O ATOM 459 CB PHE A 31 -1.023 3.414 5.107 1.00 72.30 C ATOM 460 CG PHE A 31 -0.567 3.722 3.714 1.00 11.11 C ATOM 461 CD1 PHE A 31 -1.366 3.421 2.624 1.00 13.32 C ATOM 462 CD2 PHE A 31 0.661 4.322 3.494 1.00 41.21 C ATOM 463 CE1 PHE A 31 -0.949 3.710 1.343 1.00 70.10 C ATOM 464 CE2 PHE A 31 1.083 4.615 2.215 1.00 43.01 C ATOM 465 CZ PHE A 31 0.277 4.310 1.138 1.00 12.24 C ATOM 0 H PHE A 31 -2.277 1.471 4.222 1.00 44.25 H new ATOM 0 HA PHE A 31 0.312 1.752 5.380 1.00 31.41 H new ATOM 0 HB2 PHE A 31 -2.094 3.603 5.179 1.00 72.30 H new ATOM 0 HB3 PHE A 31 -0.531 4.097 5.800 1.00 72.30 H new ATOM 0 HD1 PHE A 31 -2.327 2.954 2.780 1.00 13.32 H new ATOM 0 HD2 PHE A 31 1.296 4.563 4.334 1.00 41.21 H new ATOM 0 HE1 PHE A 31 -1.580 3.468 0.501 1.00 70.10 H new ATOM 0 HE2 PHE A 31 2.043 5.083 2.056 1.00 43.01 H new ATOM 0 HZ PHE A 31 0.605 4.540 0.135 1.00 12.24 H new ATOM 475 N ARG A 32 -0.027 1.935 7.840 1.00 54.23 N ATOM 476 CA ARG A 32 -0.196 1.879 9.277 1.00 50.11 C ATOM 477 C ARG A 32 0.565 3.023 9.951 1.00 4.14 C ATOM 478 O ARG A 32 1.453 2.785 10.766 1.00 11.02 O ATOM 479 CB ARG A 32 0.303 0.530 9.796 1.00 64.33 C ATOM 480 CG ARG A 32 -0.210 0.160 11.178 1.00 51.12 C ATOM 481 CD ARG A 32 -1.705 -0.087 11.170 1.00 10.34 C ATOM 482 NE ARG A 32 -2.117 -0.936 12.288 1.00 3.34 N ATOM 483 CZ ARG A 32 -2.201 -2.265 12.212 1.00 72.40 C ATOM 484 NH1 ARG A 32 -1.917 -2.888 11.076 1.00 65.55 N ATOM 485 NH2 ARG A 32 -2.584 -2.978 13.260 1.00 13.21 N ATOM 0 H ARG A 32 0.937 2.066 7.533 1.00 54.23 H new ATOM 0 HA ARG A 32 -1.254 1.987 9.516 1.00 50.11 H new ATOM 0 HB2 ARG A 32 0.008 -0.248 9.092 1.00 64.33 H new ATOM 0 HB3 ARG A 32 1.393 0.543 9.818 1.00 64.33 H new ATOM 0 HG2 ARG A 32 0.305 -0.733 11.531 1.00 51.12 H new ATOM 0 HG3 ARG A 32 0.023 0.961 11.880 1.00 51.12 H new ATOM 0 HD2 ARG A 32 -2.232 0.866 11.223 1.00 10.34 H new ATOM 0 HD3 ARG A 32 -1.991 -0.558 10.230 1.00 10.34 H new ATOM 0 HE ARG A 32 -2.353 -0.487 13.173 1.00 3.34 H new ATOM 0 HH11 ARG A 32 -1.633 -2.351 10.257 1.00 65.55 H new ATOM 0 HH12 ARG A 32 -1.982 -3.904 11.022 1.00 65.55 H new ATOM 0 HH21 ARG A 32 -2.818 -2.511 14.136 1.00 13.21 H new ATOM 0 HH22 ARG A 32 -2.645 -3.994 13.191 1.00 13.21 H new ATOM 499 N PRO A 33 0.240 4.287 9.615 1.00 65.33 N ATOM 500 CA PRO A 33 0.892 5.450 10.212 1.00 32.41 C ATOM 501 C PRO A 33 0.322 5.747 11.590 1.00 11.33 C ATOM 502 O PRO A 33 0.953 6.403 12.419 1.00 3.23 O ATOM 503 CB PRO A 33 0.570 6.597 9.243 1.00 13.43 C ATOM 504 CG PRO A 33 -0.196 5.983 8.113 1.00 2.22 C ATOM 505 CD PRO A 33 -0.768 4.700 8.636 1.00 12.43 C ATOM 0 HA PRO A 33 1.962 5.298 10.351 1.00 32.41 H new ATOM 0 HB2 PRO A 33 -0.017 7.371 9.737 1.00 13.43 H new ATOM 0 HB3 PRO A 33 1.483 7.071 8.883 1.00 13.43 H new ATOM 0 HG2 PRO A 33 -0.988 6.651 7.773 1.00 2.22 H new ATOM 0 HG3 PRO A 33 0.455 5.798 7.258 1.00 2.22 H new ATOM 0 HD2 PRO A 33 -1.745 4.848 9.096 1.00 12.43 H new ATOM 0 HD3 PRO A 33 -0.896 3.960 7.846 1.00 12.43 H new ATOM 513 N ARG A 34 -0.891 5.265 11.809 1.00 64.11 N ATOM 514 CA ARG A 34 -1.546 5.374 13.096 1.00 21.51 C ATOM 515 C ARG A 34 -1.059 4.270 14.016 1.00 23.21 C ATOM 516 O ARG A 34 -0.682 3.192 13.549 1.00 12.13 O ATOM 517 CB ARG A 34 -3.063 5.279 12.929 1.00 25.32 C ATOM 518 CG ARG A 34 -3.684 6.502 12.281 1.00 53.25 C ATOM 519 CD ARG A 34 -3.548 7.720 13.177 1.00 43.22 C ATOM 520 NE ARG A 34 -4.358 8.840 12.712 1.00 53.01 N ATOM 521 CZ ARG A 34 -5.509 9.200 13.275 1.00 41.40 C ATOM 522 NH1 ARG A 34 -6.016 8.486 14.278 1.00 33.35 N ATOM 523 NH2 ARG A 34 -6.162 10.262 12.826 1.00 24.32 N ATOM 0 H ARG A 34 -1.446 4.788 11.098 1.00 64.11 H new ATOM 0 HA ARG A 34 -1.301 6.342 13.534 1.00 21.51 H new ATOM 0 HB2 ARG A 34 -3.299 4.401 12.328 1.00 25.32 H new ATOM 0 HB3 ARG A 34 -3.518 5.127 13.908 1.00 25.32 H new ATOM 0 HG2 ARG A 34 -3.201 6.695 11.323 1.00 53.25 H new ATOM 0 HG3 ARG A 34 -4.738 6.313 12.075 1.00 53.25 H new ATOM 0 HD2 ARG A 34 -3.844 7.457 14.192 1.00 43.22 H new ATOM 0 HD3 ARG A 34 -2.502 8.023 13.219 1.00 43.22 H new ATOM 0 HE ARG A 34 -4.024 9.377 11.912 1.00 53.01 H new ATOM 0 HH11 ARG A 34 -5.522 7.660 14.617 1.00 33.35 H new ATOM 0 HH12 ARG A 34 -6.898 8.765 14.707 1.00 33.35 H new ATOM 0 HH21 ARG A 34 -5.783 10.803 12.049 1.00 24.32 H new ATOM 0 HH22 ARG A 34 -7.044 10.538 13.257 1.00 24.32 H new ATOM 537 N ASN A 35 -1.060 4.539 15.313 1.00 34.42 N ATOM 538 CA ASN A 35 -0.650 3.544 16.290 1.00 22.13 C ATOM 539 C ASN A 35 -1.752 2.505 16.466 1.00 1.02 C ATOM 540 O ASN A 35 -2.533 2.560 17.419 1.00 71.43 O ATOM 541 CB ASN A 35 -0.296 4.205 17.626 1.00 60.23 C ATOM 542 CG ASN A 35 0.259 3.223 18.644 1.00 23.21 C ATOM 543 OD1 ASN A 35 1.459 2.949 18.668 1.00 11.41 O ATOM 544 ND2 ASN A 35 -0.604 2.698 19.497 1.00 24.21 N ATOM 0 H ASN A 35 -1.339 5.435 15.712 1.00 34.42 H new ATOM 0 HA ASN A 35 0.246 3.041 15.925 1.00 22.13 H new ATOM 0 HB2 ASN A 35 0.437 4.993 17.453 1.00 60.23 H new ATOM 0 HB3 ASN A 35 -1.186 4.682 18.037 1.00 60.23 H new ATOM 0 HD21 ASN A 35 -0.283 2.040 20.208 1.00 24.21 H new ATOM 0 HD22 ASN A 35 -1.591 2.951 19.444 1.00 24.21 H new ATOM 551 N ASP A 36 -1.831 1.605 15.488 1.00 60.23 N ATOM 552 CA ASP A 36 -2.802 0.511 15.476 1.00 3.41 C ATOM 553 C ASP A 36 -4.241 1.040 15.418 1.00 42.55 C ATOM 554 O ASP A 36 -4.464 2.251 15.349 1.00 2.14 O ATOM 555 CB ASP A 36 -2.598 -0.402 16.697 1.00 63.25 C ATOM 556 CG ASP A 36 -3.336 -1.723 16.579 1.00 10.41 C ATOM 557 OD1 ASP A 36 -3.655 -2.122 15.441 1.00 14.11 O ATOM 558 OD2 ASP A 36 -3.611 -2.355 17.617 1.00 70.32 O ATOM 0 H ASP A 36 -1.217 1.614 14.673 1.00 60.23 H new ATOM 0 HA ASP A 36 -2.635 -0.078 14.574 1.00 3.41 H new ATOM 0 HB2 ASP A 36 -1.533 -0.597 16.824 1.00 63.25 H new ATOM 0 HB3 ASP A 36 -2.936 0.118 17.593 1.00 63.25 H new ATOM 563 N GLU A 37 -5.196 0.109 15.395 1.00 2.54 N ATOM 564 CA GLU A 37 -6.623 0.385 15.423 1.00 51.22 C ATOM 565 C GLU A 37 -7.146 1.102 14.168 1.00 61.15 C ATOM 566 O GLU A 37 -8.337 1.020 13.857 1.00 41.02 O ATOM 567 CB GLU A 37 -6.960 1.168 16.676 1.00 2.11 C ATOM 568 CG GLU A 37 -6.454 0.513 17.952 1.00 70.51 C ATOM 569 CD GLU A 37 -6.804 1.306 19.188 1.00 73.20 C ATOM 570 OE1 GLU A 37 -6.113 2.303 19.476 1.00 3.55 O ATOM 571 OE2 GLU A 37 -7.770 0.933 19.887 1.00 51.13 O ATOM 0 H GLU A 37 -4.985 -0.888 15.355 1.00 2.54 H new ATOM 0 HA GLU A 37 -7.132 -0.579 15.434 1.00 51.22 H new ATOM 0 HB2 GLU A 37 -6.534 2.168 16.596 1.00 2.11 H new ATOM 0 HB3 GLU A 37 -8.042 1.287 16.742 1.00 2.11 H new ATOM 0 HG2 GLU A 37 -6.877 -0.488 18.035 1.00 70.51 H new ATOM 0 HG3 GLU A 37 -5.372 0.398 17.893 1.00 70.51 H new ATOM 578 N GLN A 38 -6.275 1.790 13.451 1.00 65.41 N ATOM 579 CA GLN A 38 -6.668 2.502 12.247 1.00 71.41 C ATOM 580 C GLN A 38 -5.667 2.243 11.127 1.00 24.24 C ATOM 581 O GLN A 38 -4.497 2.622 11.220 1.00 71.13 O ATOM 582 CB GLN A 38 -6.773 4.002 12.537 1.00 40.05 C ATOM 583 CG GLN A 38 -7.313 4.833 11.378 1.00 45.12 C ATOM 584 CD GLN A 38 -8.692 4.393 10.919 1.00 22.15 C ATOM 585 OE1 GLN A 38 -9.707 4.813 11.475 1.00 75.10 O ATOM 586 NE2 GLN A 38 -8.740 3.578 9.874 1.00 30.20 N ATOM 0 H GLN A 38 -5.285 1.871 13.683 1.00 65.41 H new ATOM 0 HA GLN A 38 -7.644 2.139 11.925 1.00 71.41 H new ATOM 0 HB2 GLN A 38 -7.418 4.148 13.404 1.00 40.05 H new ATOM 0 HB3 GLN A 38 -5.786 4.377 12.808 1.00 40.05 H new ATOM 0 HG2 GLN A 38 -7.354 5.880 11.678 1.00 45.12 H new ATOM 0 HG3 GLN A 38 -6.620 4.769 10.539 1.00 45.12 H new ATOM 0 HE21 GLN A 38 -7.876 3.252 9.441 1.00 30.20 H new ATOM 0 HE22 GLN A 38 -9.641 3.277 9.503 1.00 30.20 H new ATOM 595 N VAL A 39 -6.127 1.569 10.085 1.00 2.41 N ATOM 596 CA VAL A 39 -5.296 1.288 8.923 1.00 24.44 C ATOM 597 C VAL A 39 -5.780 2.078 7.719 1.00 72.31 C ATOM 598 O VAL A 39 -6.902 2.587 7.712 1.00 62.45 O ATOM 599 CB VAL A 39 -5.299 -0.214 8.560 1.00 20.04 C ATOM 600 CG1 VAL A 39 -4.682 -1.038 9.674 1.00 62.13 C ATOM 601 CG2 VAL A 39 -6.712 -0.696 8.261 1.00 50.25 C ATOM 0 H VAL A 39 -7.077 1.204 10.019 1.00 2.41 H new ATOM 0 HA VAL A 39 -4.280 1.583 9.184 1.00 24.44 H new ATOM 0 HB VAL A 39 -4.696 -0.344 7.662 1.00 20.04 H new ATOM 0 HG11 VAL A 39 -4.695 -2.092 9.397 1.00 62.13 H new ATOM 0 HG12 VAL A 39 -3.653 -0.718 9.836 1.00 62.13 H new ATOM 0 HG13 VAL A 39 -5.255 -0.897 10.591 1.00 62.13 H new ATOM 0 HG21 VAL A 39 -6.689 -1.756 8.008 1.00 50.25 H new ATOM 0 HG22 VAL A 39 -7.341 -0.546 9.139 1.00 50.25 H new ATOM 0 HG23 VAL A 39 -7.119 -0.132 7.422 1.00 50.25 H new ATOM 611 N TYR A 40 -4.931 2.181 6.712 1.00 23.04 N ATOM 612 CA TYR A 40 -5.305 2.810 5.457 1.00 41.01 C ATOM 613 C TYR A 40 -4.999 1.880 4.294 1.00 2.32 C ATOM 614 O TYR A 40 -3.915 1.928 3.717 1.00 64.20 O ATOM 615 CB TYR A 40 -4.578 4.145 5.263 1.00 75.01 C ATOM 616 CG TYR A 40 -4.947 5.197 6.286 1.00 52.40 C ATOM 617 CD1 TYR A 40 -6.211 5.770 6.296 1.00 22.53 C ATOM 618 CD2 TYR A 40 -4.024 5.623 7.231 1.00 11.41 C ATOM 619 CE1 TYR A 40 -6.547 6.734 7.228 1.00 31.05 C ATOM 620 CE2 TYR A 40 -4.353 6.586 8.165 1.00 0.55 C ATOM 621 CZ TYR A 40 -5.613 7.141 8.158 1.00 50.31 C ATOM 622 OH TYR A 40 -5.941 8.101 9.088 1.00 32.02 O ATOM 0 H TYR A 40 -3.972 1.835 6.739 1.00 23.04 H new ATOM 0 HA TYR A 40 -6.376 3.009 5.489 1.00 41.01 H new ATOM 0 HB2 TYR A 40 -3.503 3.972 5.306 1.00 75.01 H new ATOM 0 HB3 TYR A 40 -4.800 4.527 4.267 1.00 75.01 H new ATOM 0 HD1 TYR A 40 -6.943 5.458 5.565 1.00 22.53 H new ATOM 0 HD2 TYR A 40 -3.033 5.195 7.236 1.00 11.41 H new ATOM 0 HE1 TYR A 40 -7.537 7.167 7.228 1.00 31.05 H new ATOM 0 HE2 TYR A 40 -3.625 6.902 8.898 1.00 0.55 H new ATOM 0 HH TYR A 40 -5.170 8.271 9.669 1.00 32.02 H new ATOM 632 N ALA A 41 -5.941 1.009 3.980 1.00 42.35 N ATOM 633 CA ALA A 41 -5.776 0.080 2.875 1.00 64.34 C ATOM 634 C ALA A 41 -6.327 0.687 1.595 1.00 72.00 C ATOM 635 O ALA A 41 -7.535 0.666 1.354 1.00 31.12 O ATOM 636 CB ALA A 41 -6.457 -1.241 3.183 1.00 21.15 C ATOM 0 H ALA A 41 -6.829 0.925 4.475 1.00 42.35 H new ATOM 0 HA ALA A 41 -4.712 -0.114 2.735 1.00 64.34 H new ATOM 0 HB1 ALA A 41 -6.323 -1.924 2.344 1.00 21.15 H new ATOM 0 HB2 ALA A 41 -6.017 -1.677 4.080 1.00 21.15 H new ATOM 0 HB3 ALA A 41 -7.521 -1.072 3.347 1.00 21.15 H new ATOM 642 N ILE A 42 -5.441 1.242 0.784 1.00 72.21 N ATOM 643 CA ILE A 42 -5.853 1.950 -0.418 1.00 23.42 C ATOM 644 C ILE A 42 -5.038 1.501 -1.627 1.00 1.13 C ATOM 645 O ILE A 42 -4.101 0.707 -1.504 1.00 53.10 O ATOM 646 CB ILE A 42 -5.713 3.482 -0.254 1.00 11.21 C ATOM 647 CG1 ILE A 42 -4.245 3.880 -0.052 1.00 63.13 C ATOM 648 CG2 ILE A 42 -6.559 3.969 0.915 1.00 70.42 C ATOM 649 CD1 ILE A 42 -4.017 5.378 0.002 1.00 14.42 C ATOM 0 H ILE A 42 -4.433 1.216 0.936 1.00 72.21 H new ATOM 0 HA ILE A 42 -6.903 1.708 -0.580 1.00 23.42 H new ATOM 0 HB ILE A 42 -6.071 3.956 -1.168 1.00 11.21 H new ATOM 0 HG12 ILE A 42 -3.882 3.433 0.874 1.00 63.13 H new ATOM 0 HG13 ILE A 42 -3.650 3.461 -0.863 1.00 63.13 H new ATOM 0 HG21 ILE A 42 -6.450 5.049 1.018 1.00 70.42 H new ATOM 0 HG22 ILE A 42 -7.606 3.725 0.733 1.00 70.42 H new ATOM 0 HG23 ILE A 42 -6.227 3.482 1.832 1.00 70.42 H new ATOM 0 HD11 ILE A 42 -2.956 5.580 0.147 1.00 14.42 H new ATOM 0 HD12 ILE A 42 -4.348 5.830 -0.933 1.00 14.42 H new ATOM 0 HD13 ILE A 42 -4.583 5.803 0.831 1.00 14.42 H new ATOM 661 N SER A 43 -5.394 2.015 -2.795 1.00 20.53 N ATOM 662 CA SER A 43 -4.687 1.680 -4.018 1.00 21.43 C ATOM 663 C SER A 43 -3.453 2.563 -4.171 1.00 52.32 C ATOM 664 O SER A 43 -3.448 3.511 -4.952 1.00 2.24 O ATOM 665 CB SER A 43 -5.616 1.853 -5.221 1.00 60.21 C ATOM 666 OG SER A 43 -6.839 1.163 -5.020 1.00 15.31 O ATOM 0 H SER A 43 -6.169 2.666 -2.920 1.00 20.53 H new ATOM 0 HA SER A 43 -4.366 0.640 -3.968 1.00 21.43 H new ATOM 0 HB2 SER A 43 -5.814 2.913 -5.383 1.00 60.21 H new ATOM 0 HB3 SER A 43 -5.126 1.479 -6.120 1.00 60.21 H new ATOM 0 HG SER A 43 -7.418 1.289 -5.801 1.00 15.31 H new ATOM 672 N ASN A 44 -2.417 2.264 -3.398 1.00 71.14 N ATOM 673 CA ASN A 44 -1.180 3.040 -3.450 1.00 23.25 C ATOM 674 C ASN A 44 0.014 2.110 -3.578 1.00 0.33 C ATOM 675 O ASN A 44 0.608 1.690 -2.589 1.00 73.03 O ATOM 676 CB ASN A 44 -1.038 3.930 -2.211 1.00 74.42 C ATOM 677 CG ASN A 44 0.149 4.876 -2.303 1.00 43.41 C ATOM 678 OD1 ASN A 44 1.255 4.554 -1.871 1.00 64.12 O ATOM 679 ND2 ASN A 44 -0.074 6.055 -2.864 1.00 64.22 N ATOM 0 H ASN A 44 -2.406 1.494 -2.730 1.00 71.14 H new ATOM 0 HA ASN A 44 -1.217 3.688 -4.326 1.00 23.25 H new ATOM 0 HB2 ASN A 44 -1.951 4.511 -2.079 1.00 74.42 H new ATOM 0 HB3 ASN A 44 -0.929 3.301 -1.327 1.00 74.42 H new ATOM 0 HD21 ASN A 44 0.685 6.731 -2.949 1.00 64.22 H new ATOM 0 HD22 ASN A 44 -1.005 6.287 -3.211 1.00 64.22 H new ATOM 686 N ILE A 45 0.325 1.749 -4.806 1.00 23.14 N ATOM 687 CA ILE A 45 1.435 0.852 -5.081 1.00 42.11 C ATOM 688 C ILE A 45 2.431 1.567 -5.980 1.00 41.53 C ATOM 689 O ILE A 45 2.903 2.654 -5.649 1.00 11.40 O ATOM 690 CB ILE A 45 0.958 -0.457 -5.770 1.00 54.24 C ATOM 691 CG1 ILE A 45 -0.404 -0.908 -5.223 1.00 22.41 C ATOM 692 CG2 ILE A 45 1.984 -1.570 -5.582 1.00 13.33 C ATOM 693 CD1 ILE A 45 -0.385 -1.304 -3.760 1.00 21.01 C ATOM 0 H ILE A 45 -0.177 2.064 -5.636 1.00 23.14 H new ATOM 0 HA ILE A 45 1.900 0.577 -4.134 1.00 42.11 H new ATOM 0 HB ILE A 45 0.851 -0.248 -6.834 1.00 54.24 H new ATOM 0 HG12 ILE A 45 -1.124 -0.101 -5.360 1.00 22.41 H new ATOM 0 HG13 ILE A 45 -0.758 -1.754 -5.812 1.00 22.41 H new ATOM 0 HG21 ILE A 45 1.630 -2.477 -6.072 1.00 13.33 H new ATOM 0 HG22 ILE A 45 2.934 -1.267 -6.022 1.00 13.33 H new ATOM 0 HG23 ILE A 45 2.121 -1.762 -4.518 1.00 13.33 H new ATOM 0 HD11 ILE A 45 -1.385 -1.609 -3.453 1.00 21.01 H new ATOM 0 HD12 ILE A 45 0.308 -2.133 -3.616 1.00 21.01 H new ATOM 0 HD13 ILE A 45 -0.064 -0.455 -3.157 1.00 21.01 H new ATOM 705 N ASP A 46 2.728 0.958 -7.114 1.00 41.45 N ATOM 706 CA ASP A 46 3.590 1.537 -8.116 1.00 35.22 C ATOM 707 C ASP A 46 3.609 0.612 -9.321 1.00 51.33 C ATOM 708 O ASP A 46 3.569 -0.607 -9.170 1.00 42.32 O ATOM 709 CB ASP A 46 5.006 1.720 -7.577 1.00 21.14 C ATOM 710 CG ASP A 46 5.712 0.404 -7.331 1.00 45.23 C ATOM 711 OD1 ASP A 46 6.362 -0.096 -8.268 1.00 41.51 O ATOM 712 OD2 ASP A 46 5.610 -0.134 -6.207 1.00 34.32 O ATOM 0 H ASP A 46 2.370 0.036 -7.363 1.00 41.45 H new ATOM 0 HA ASP A 46 3.211 2.520 -8.397 1.00 35.22 H new ATOM 0 HB2 ASP A 46 5.586 2.312 -8.285 1.00 21.14 H new ATOM 0 HB3 ASP A 46 4.966 2.286 -6.646 1.00 21.14 H new ATOM 717 N PRO A 47 3.623 1.165 -10.532 1.00 63.41 N ATOM 718 CA PRO A 47 3.644 0.374 -11.745 1.00 33.12 C ATOM 719 C PRO A 47 5.053 0.155 -12.283 1.00 21.23 C ATOM 720 O PRO A 47 5.252 0.007 -13.491 1.00 71.24 O ATOM 721 CB PRO A 47 2.822 1.241 -12.694 1.00 14.34 C ATOM 722 CG PRO A 47 3.097 2.654 -12.264 1.00 42.13 C ATOM 723 CD PRO A 47 3.580 2.602 -10.830 1.00 74.53 C ATOM 0 HA PRO A 47 3.258 -0.635 -11.602 1.00 33.12 H new ATOM 0 HB2 PRO A 47 3.116 1.079 -13.731 1.00 14.34 H new ATOM 0 HB3 PRO A 47 1.760 1.006 -12.623 1.00 14.34 H new ATOM 0 HG2 PRO A 47 3.849 3.112 -12.907 1.00 42.13 H new ATOM 0 HG3 PRO A 47 2.196 3.262 -12.344 1.00 42.13 H new ATOM 0 HD2 PRO A 47 4.561 3.064 -10.721 1.00 74.53 H new ATOM 0 HD3 PRO A 47 2.902 3.130 -10.159 1.00 74.53 H new ATOM 731 N PHE A 48 6.025 0.118 -11.384 1.00 63.53 N ATOM 732 CA PHE A 48 7.410 -0.097 -11.775 1.00 12.43 C ATOM 733 C PHE A 48 7.941 -1.388 -11.163 1.00 21.43 C ATOM 734 O PHE A 48 8.530 -2.220 -11.855 1.00 40.33 O ATOM 735 CB PHE A 48 8.274 1.092 -11.343 1.00 70.43 C ATOM 736 CG PHE A 48 9.705 0.993 -11.795 1.00 33.32 C ATOM 737 CD1 PHE A 48 10.047 1.239 -13.116 1.00 45.55 C ATOM 738 CD2 PHE A 48 10.707 0.655 -10.899 1.00 35.00 C ATOM 739 CE1 PHE A 48 11.361 1.149 -13.535 1.00 14.43 C ATOM 740 CE2 PHE A 48 12.021 0.565 -11.312 1.00 24.03 C ATOM 741 CZ PHE A 48 12.348 0.811 -12.631 1.00 41.14 C ATOM 0 H PHE A 48 5.881 0.234 -10.381 1.00 63.53 H new ATOM 0 HA PHE A 48 7.455 -0.185 -12.861 1.00 12.43 H new ATOM 0 HB2 PHE A 48 7.839 2.009 -11.740 1.00 70.43 H new ATOM 0 HB3 PHE A 48 8.250 1.172 -10.256 1.00 70.43 H new ATOM 0 HD1 PHE A 48 9.278 1.504 -13.826 1.00 45.55 H new ATOM 0 HD2 PHE A 48 10.457 0.460 -9.867 1.00 35.00 H new ATOM 0 HE1 PHE A 48 11.615 1.343 -14.567 1.00 14.43 H new ATOM 0 HE2 PHE A 48 12.793 0.302 -10.604 1.00 24.03 H new ATOM 0 HZ PHE A 48 13.376 0.739 -12.955 1.00 41.14 H new ATOM 751 N ALA A 49 7.713 -1.561 -9.872 1.00 60.20 N ATOM 752 CA ALA A 49 8.216 -2.718 -9.154 1.00 14.32 C ATOM 753 C ALA A 49 7.091 -3.480 -8.467 1.00 24.55 C ATOM 754 O ALA A 49 7.270 -4.637 -8.081 1.00 64.55 O ATOM 755 CB ALA A 49 9.257 -2.284 -8.133 1.00 54.30 C ATOM 0 H ALA A 49 7.179 -0.909 -9.297 1.00 60.20 H new ATOM 0 HA ALA A 49 8.679 -3.389 -9.878 1.00 14.32 H new ATOM 0 HB1 ALA A 49 9.629 -3.158 -7.599 1.00 54.30 H new ATOM 0 HB2 ALA A 49 10.084 -1.791 -8.644 1.00 54.30 H new ATOM 0 HB3 ALA A 49 8.804 -1.591 -7.424 1.00 54.30 H new ATOM 761 N GLN A 50 5.933 -2.826 -8.330 1.00 14.25 N ATOM 762 CA GLN A 50 4.779 -3.408 -7.647 1.00 21.01 C ATOM 763 C GLN A 50 5.123 -3.784 -6.202 1.00 43.20 C ATOM 764 O GLN A 50 5.073 -4.957 -5.830 1.00 62.20 O ATOM 765 CB GLN A 50 4.266 -4.645 -8.397 1.00 51.32 C ATOM 766 CG GLN A 50 3.763 -4.365 -9.804 1.00 34.52 C ATOM 767 CD GLN A 50 2.470 -3.572 -9.824 1.00 24.21 C ATOM 768 OE1 GLN A 50 1.656 -3.657 -8.902 1.00 71.24 O ATOM 769 NE2 GLN A 50 2.265 -2.810 -10.885 1.00 34.34 N ATOM 0 H GLN A 50 5.772 -1.884 -8.688 1.00 14.25 H new ATOM 0 HA GLN A 50 3.993 -2.653 -7.632 1.00 21.01 H new ATOM 0 HB2 GLN A 50 5.069 -5.380 -8.451 1.00 51.32 H new ATOM 0 HB3 GLN A 50 3.459 -5.096 -7.819 1.00 51.32 H new ATOM 0 HG2 GLN A 50 4.527 -3.817 -10.355 1.00 34.52 H new ATOM 0 HG3 GLN A 50 3.611 -5.311 -10.325 1.00 34.52 H new ATOM 0 HE21 GLN A 50 2.965 -2.768 -11.626 1.00 34.34 H new ATOM 0 HE22 GLN A 50 1.407 -2.264 -10.963 1.00 34.34 H new ATOM 778 N ALA A 51 5.488 -2.794 -5.395 1.00 50.32 N ATOM 779 CA ALA A 51 5.840 -3.044 -3.999 1.00 11.33 C ATOM 780 C ALA A 51 5.507 -1.850 -3.115 1.00 64.21 C ATOM 781 O ALA A 51 5.994 -1.751 -1.988 1.00 64.35 O ATOM 782 CB ALA A 51 7.320 -3.381 -3.884 1.00 75.12 C ATOM 0 H ALA A 51 5.548 -1.816 -5.679 1.00 50.32 H new ATOM 0 HA ALA A 51 5.248 -3.892 -3.654 1.00 11.33 H new ATOM 0 HB1 ALA A 51 7.571 -3.565 -2.839 1.00 75.12 H new ATOM 0 HB2 ALA A 51 7.537 -4.273 -4.472 1.00 75.12 H new ATOM 0 HB3 ALA A 51 7.913 -2.547 -4.258 1.00 75.12 H new ATOM 788 N SER A 52 4.677 -0.954 -3.632 1.00 41.34 N ATOM 789 CA SER A 52 4.259 0.234 -2.898 1.00 62.45 C ATOM 790 C SER A 52 5.459 1.118 -2.569 1.00 22.24 C ATOM 791 O SER A 52 5.730 1.430 -1.405 1.00 34.13 O ATOM 792 CB SER A 52 3.503 -0.156 -1.622 1.00 25.11 C ATOM 793 OG SER A 52 2.294 -0.825 -1.934 1.00 51.52 O ATOM 0 H SER A 52 4.276 -1.029 -4.567 1.00 41.34 H new ATOM 0 HA SER A 52 3.582 0.806 -3.533 1.00 62.45 H new ATOM 0 HB2 SER A 52 4.130 -0.800 -1.005 1.00 25.11 H new ATOM 0 HB3 SER A 52 3.288 0.737 -1.035 1.00 25.11 H new ATOM 0 HG SER A 52 1.951 -1.272 -1.132 1.00 51.52 H new ATOM 799 N VAL A 53 6.174 1.538 -3.605 1.00 2.31 N ATOM 800 CA VAL A 53 7.331 2.410 -3.417 1.00 34.43 C ATOM 801 C VAL A 53 6.877 3.824 -3.065 1.00 64.42 C ATOM 802 O VAL A 53 7.683 4.678 -2.692 1.00 42.41 O ATOM 803 CB VAL A 53 8.250 2.456 -4.659 1.00 53.11 C ATOM 804 CG1 VAL A 53 8.705 1.055 -5.041 1.00 43.11 C ATOM 805 CG2 VAL A 53 7.563 3.143 -5.831 1.00 22.21 C ATOM 0 H VAL A 53 5.978 1.293 -4.576 1.00 2.31 H new ATOM 0 HA VAL A 53 7.911 1.989 -2.595 1.00 34.43 H new ATOM 0 HB VAL A 53 9.131 3.045 -4.403 1.00 53.11 H new ATOM 0 HG11 VAL A 53 9.351 1.109 -5.917 1.00 43.11 H new ATOM 0 HG12 VAL A 53 9.256 0.612 -4.211 1.00 43.11 H new ATOM 0 HG13 VAL A 53 7.835 0.439 -5.269 1.00 43.11 H new ATOM 0 HG21 VAL A 53 8.236 3.159 -6.689 1.00 22.21 H new ATOM 0 HG22 VAL A 53 6.656 2.598 -6.091 1.00 22.21 H new ATOM 0 HG23 VAL A 53 7.305 4.165 -5.553 1.00 22.21 H new ATOM 815 N LEU A 54 5.578 4.053 -3.190 1.00 23.22 N ATOM 816 CA LEU A 54 4.974 5.320 -2.815 1.00 34.25 C ATOM 817 C LEU A 54 4.594 5.307 -1.338 1.00 62.31 C ATOM 818 O LEU A 54 4.243 6.336 -0.769 1.00 64.04 O ATOM 819 CB LEU A 54 3.731 5.583 -3.674 1.00 53.02 C ATOM 820 CG LEU A 54 3.993 5.751 -5.174 1.00 1.32 C ATOM 821 CD1 LEU A 54 2.686 5.963 -5.920 1.00 2.31 C ATOM 822 CD2 LEU A 54 4.943 6.913 -5.430 1.00 33.04 C ATOM 0 H LEU A 54 4.916 3.367 -3.553 1.00 23.22 H new ATOM 0 HA LEU A 54 5.698 6.117 -2.984 1.00 34.25 H new ATOM 0 HB2 LEU A 54 3.032 4.758 -3.535 1.00 53.02 H new ATOM 0 HB3 LEU A 54 3.239 6.483 -3.305 1.00 53.02 H new ATOM 0 HG LEU A 54 4.461 4.838 -5.542 1.00 1.32 H new ATOM 0 HD11 LEU A 54 2.890 6.081 -6.984 1.00 2.31 H new ATOM 0 HD12 LEU A 54 2.036 5.101 -5.768 1.00 2.31 H new ATOM 0 HD13 LEU A 54 2.193 6.860 -5.544 1.00 2.31 H new ATOM 0 HD21 LEU A 54 5.115 7.013 -6.502 1.00 33.04 H new ATOM 0 HD22 LEU A 54 4.504 7.833 -5.045 1.00 33.04 H new ATOM 0 HD23 LEU A 54 5.891 6.725 -4.927 1.00 33.04 H new ATOM 834 N SER A 55 4.682 4.129 -0.727 1.00 13.21 N ATOM 835 CA SER A 55 4.281 3.949 0.661 1.00 74.21 C ATOM 836 C SER A 55 5.498 3.880 1.587 1.00 63.22 C ATOM 837 O SER A 55 5.524 4.504 2.647 1.00 24.11 O ATOM 838 CB SER A 55 3.469 2.661 0.789 1.00 71.43 C ATOM 839 OG SER A 55 2.504 2.560 -0.247 1.00 54.02 O ATOM 0 H SER A 55 5.030 3.282 -1.176 1.00 13.21 H new ATOM 0 HA SER A 55 3.677 4.806 0.958 1.00 74.21 H new ATOM 0 HB2 SER A 55 4.138 1.801 0.753 1.00 71.43 H new ATOM 0 HB3 SER A 55 2.971 2.636 1.758 1.00 71.43 H new ATOM 0 HG SER A 55 2.261 3.458 -0.557 1.00 54.02 H new ATOM 845 N ARG A 56 6.512 3.132 1.163 1.00 33.23 N ATOM 846 CA ARG A 56 7.687 2.863 1.993 1.00 30.04 C ATOM 847 C ARG A 56 8.685 4.023 1.961 1.00 54.14 C ATOM 848 O ARG A 56 9.883 3.825 1.746 1.00 42.24 O ATOM 849 CB ARG A 56 8.361 1.570 1.519 1.00 40.00 C ATOM 850 CG ARG A 56 8.733 1.580 0.044 1.00 22.40 C ATOM 851 CD ARG A 56 9.337 0.258 -0.390 1.00 42.23 C ATOM 852 NE ARG A 56 10.575 -0.047 0.321 1.00 40.14 N ATOM 853 CZ ARG A 56 11.185 -1.232 0.283 1.00 23.20 C ATOM 854 NH1 ARG A 56 10.641 -2.242 -0.382 1.00 22.21 N ATOM 855 NH2 ARG A 56 12.330 -1.407 0.928 1.00 71.51 N ATOM 0 H ARG A 56 6.545 2.697 0.241 1.00 33.23 H new ATOM 0 HA ARG A 56 7.355 2.750 3.025 1.00 30.04 H new ATOM 0 HB2 ARG A 56 9.261 1.402 2.111 1.00 40.00 H new ATOM 0 HB3 ARG A 56 7.692 0.731 1.710 1.00 40.00 H new ATOM 0 HG2 ARG A 56 7.846 1.789 -0.554 1.00 22.40 H new ATOM 0 HG3 ARG A 56 9.443 2.385 -0.147 1.00 22.40 H new ATOM 0 HD2 ARG A 56 8.616 -0.542 -0.219 1.00 42.23 H new ATOM 0 HD3 ARG A 56 9.534 0.286 -1.462 1.00 42.23 H new ATOM 0 HE ARG A 56 11.000 0.692 0.881 1.00 40.14 H new ATOM 0 HH11 ARG A 56 9.753 -2.114 -0.867 1.00 22.21 H new ATOM 0 HH12 ARG A 56 11.111 -3.147 -0.409 1.00 22.21 H new ATOM 0 HH21 ARG A 56 12.743 -0.636 1.452 1.00 71.51 H new ATOM 0 HH22 ARG A 56 12.798 -2.313 0.900 1.00 71.51 H new ATOM 869 N GLY A 57 8.192 5.227 2.193 1.00 33.34 N ATOM 870 CA GLY A 57 9.055 6.388 2.183 1.00 53.41 C ATOM 871 C GLY A 57 8.967 7.200 3.460 1.00 40.33 C ATOM 872 O GLY A 57 9.317 6.723 4.541 1.00 2.45 O ATOM 0 H GLY A 57 7.210 5.422 2.388 1.00 33.34 H new ATOM 0 HA2 GLY A 57 10.086 6.067 2.033 1.00 53.41 H new ATOM 0 HA3 GLY A 57 8.792 7.022 1.336 1.00 53.41 H new ATOM 876 N ILE A 58 8.486 8.422 3.328 1.00 10.21 N ATOM 877 CA ILE A 58 8.413 9.359 4.434 1.00 74.20 C ATOM 878 C ILE A 58 6.975 9.559 4.879 1.00 44.11 C ATOM 879 O ILE A 58 6.121 9.974 4.096 1.00 34.43 O ATOM 880 CB ILE A 58 9.016 10.728 4.037 1.00 31.44 C ATOM 881 CG1 ILE A 58 10.495 10.575 3.671 1.00 44.31 C ATOM 882 CG2 ILE A 58 8.846 11.741 5.161 1.00 4.11 C ATOM 883 CD1 ILE A 58 11.134 11.852 3.166 1.00 43.11 C ATOM 0 H ILE A 58 8.133 8.795 2.446 1.00 10.21 H new ATOM 0 HA ILE A 58 8.989 8.938 5.258 1.00 74.20 H new ATOM 0 HB ILE A 58 8.479 11.097 3.163 1.00 31.44 H new ATOM 0 HG12 ILE A 58 11.043 10.227 4.547 1.00 44.31 H new ATOM 0 HG13 ILE A 58 10.593 9.804 2.907 1.00 44.31 H new ATOM 0 HG21 ILE A 58 9.277 12.695 4.859 1.00 4.11 H new ATOM 0 HG22 ILE A 58 7.785 11.873 5.374 1.00 4.11 H new ATOM 0 HG23 ILE A 58 9.354 11.380 6.056 1.00 4.11 H new ATOM 0 HD11 ILE A 58 12.181 11.665 2.927 1.00 43.11 H new ATOM 0 HD12 ILE A 58 10.612 12.191 2.271 1.00 43.11 H new ATOM 0 HD13 ILE A 58 11.069 12.621 3.936 1.00 43.11 H new ATOM 895 N VAL A 59 6.712 9.248 6.134 1.00 65.52 N ATOM 896 CA VAL A 59 5.411 9.496 6.721 1.00 21.41 C ATOM 897 C VAL A 59 5.355 10.929 7.238 1.00 25.50 C ATOM 898 O VAL A 59 5.842 11.232 8.330 1.00 24.30 O ATOM 899 CB VAL A 59 5.120 8.510 7.869 1.00 32.14 C ATOM 900 CG1 VAL A 59 3.782 8.816 8.529 1.00 14.20 C ATOM 901 CG2 VAL A 59 5.144 7.078 7.361 1.00 12.01 C ATOM 0 H VAL A 59 7.387 8.821 6.769 1.00 65.52 H new ATOM 0 HA VAL A 59 4.651 9.350 5.954 1.00 21.41 H new ATOM 0 HB VAL A 59 5.902 8.628 8.619 1.00 32.14 H new ATOM 0 HG11 VAL A 59 3.603 8.105 9.335 1.00 14.20 H new ATOM 0 HG12 VAL A 59 3.799 9.828 8.935 1.00 14.20 H new ATOM 0 HG13 VAL A 59 2.985 8.735 7.790 1.00 14.20 H new ATOM 0 HG21 VAL A 59 4.936 6.396 8.186 1.00 12.01 H new ATOM 0 HG22 VAL A 59 4.386 6.954 6.588 1.00 12.01 H new ATOM 0 HG23 VAL A 59 6.127 6.856 6.945 1.00 12.01 H new ATOM 911 N ALA A 60 4.802 11.819 6.430 1.00 30.50 N ATOM 912 CA ALA A 60 4.737 13.228 6.782 1.00 5.14 C ATOM 913 C ALA A 60 3.333 13.622 7.220 1.00 43.23 C ATOM 914 O ALA A 60 2.376 13.514 6.458 1.00 70.22 O ATOM 915 CB ALA A 60 5.188 14.089 5.611 1.00 52.14 C ATOM 0 H ALA A 60 4.391 11.590 5.525 1.00 30.50 H new ATOM 0 HA ALA A 60 5.411 13.396 7.622 1.00 5.14 H new ATOM 0 HB1 ALA A 60 5.133 15.141 5.891 1.00 52.14 H new ATOM 0 HB2 ALA A 60 6.215 13.836 5.348 1.00 52.14 H new ATOM 0 HB3 ALA A 60 4.539 13.907 4.754 1.00 52.14 H new ATOM 921 N GLU A 61 3.212 14.061 8.457 1.00 52.50 N ATOM 922 CA GLU A 61 1.943 14.538 8.971 1.00 3.03 C ATOM 923 C GLU A 61 1.854 16.041 8.773 1.00 53.24 C ATOM 924 O GLU A 61 2.701 16.793 9.260 1.00 70.31 O ATOM 925 CB GLU A 61 1.808 14.178 10.449 1.00 73.30 C ATOM 926 CG GLU A 61 0.442 14.470 11.039 1.00 50.32 C ATOM 927 CD GLU A 61 0.326 13.993 12.471 1.00 44.00 C ATOM 928 OE1 GLU A 61 1.135 13.134 12.883 1.00 74.43 O ATOM 929 OE2 GLU A 61 -0.579 14.462 13.188 1.00 73.35 O ATOM 0 H GLU A 61 3.980 14.097 9.127 1.00 52.50 H new ATOM 0 HA GLU A 61 1.126 14.061 8.429 1.00 3.03 H new ATOM 0 HB2 GLU A 61 2.026 13.117 10.574 1.00 73.30 H new ATOM 0 HB3 GLU A 61 2.560 14.727 11.015 1.00 73.30 H new ATOM 0 HG2 GLU A 61 0.252 15.542 10.998 1.00 50.32 H new ATOM 0 HG3 GLU A 61 -0.325 13.987 10.433 1.00 50.32 H new ATOM 936 N HIS A 62 0.841 16.479 8.052 1.00 34.41 N ATOM 937 CA HIS A 62 0.724 17.880 7.704 1.00 62.11 C ATOM 938 C HIS A 62 -0.543 18.458 8.315 1.00 71.53 C ATOM 939 O HIS A 62 -1.649 18.206 7.828 1.00 15.21 O ATOM 940 CB HIS A 62 0.727 18.045 6.183 1.00 54.23 C ATOM 941 CG HIS A 62 0.984 19.444 5.719 1.00 72.24 C ATOM 942 ND1 HIS A 62 2.255 19.964 5.697 1.00 11.03 N ATOM 943 CD2 HIS A 62 0.113 20.376 5.264 1.00 21.33 C ATOM 944 CE1 HIS A 62 2.131 21.193 5.230 1.00 31.43 C ATOM 945 NE2 HIS A 62 0.852 21.490 4.951 1.00 41.44 N ATOM 0 H HIS A 62 0.090 15.887 7.697 1.00 34.41 H new ATOM 0 HA HIS A 62 1.578 18.426 8.105 1.00 62.11 H new ATOM 0 HB2 HIS A 62 1.486 17.388 5.759 1.00 54.23 H new ATOM 0 HB3 HIS A 62 -0.235 17.715 5.791 1.00 54.23 H new ATOM 0 HD2 HIS A 62 -0.957 20.264 5.166 1.00 21.33 H new ATOM 0 HE1 HIS A 62 2.957 21.875 5.090 1.00 31.43 H new ATOM 0 HE2 HIS A 62 0.498 22.371 4.579 1.00 41.44 H new ATOM 953 N GLN A 63 -0.362 19.206 9.403 1.00 14.23 N ATOM 954 CA GLN A 63 -1.466 19.807 10.153 1.00 3.24 C ATOM 955 C GLN A 63 -2.322 18.735 10.834 1.00 43.41 C ATOM 956 O GLN A 63 -2.141 18.449 12.020 1.00 73.52 O ATOM 957 CB GLN A 63 -2.322 20.706 9.254 1.00 15.43 C ATOM 958 CG GLN A 63 -1.562 21.903 8.704 1.00 5.21 C ATOM 959 CD GLN A 63 -2.388 22.754 7.762 1.00 32.33 C ATOM 960 OE1 GLN A 63 -3.069 23.689 8.183 1.00 32.45 O ATOM 961 NE2 GLN A 63 -2.324 22.445 6.478 1.00 52.04 N ATOM 0 H GLN A 63 0.558 19.413 9.791 1.00 14.23 H new ATOM 0 HA GLN A 63 -1.033 20.432 10.934 1.00 3.24 H new ATOM 0 HB2 GLN A 63 -2.708 20.116 8.423 1.00 15.43 H new ATOM 0 HB3 GLN A 63 -3.184 21.060 9.820 1.00 15.43 H new ATOM 0 HG2 GLN A 63 -1.219 22.520 9.535 1.00 5.21 H new ATOM 0 HG3 GLN A 63 -0.673 21.551 8.180 1.00 5.21 H new ATOM 0 HE21 GLN A 63 -1.747 21.662 6.170 1.00 52.04 H new ATOM 0 HE22 GLN A 63 -2.851 22.990 5.795 1.00 52.04 H new ATOM 970 N ASP A 64 -3.239 18.135 10.089 1.00 75.53 N ATOM 971 CA ASP A 64 -4.087 17.078 10.633 1.00 54.21 C ATOM 972 C ASP A 64 -3.975 15.812 9.794 1.00 14.44 C ATOM 973 O ASP A 64 -4.084 14.698 10.311 1.00 62.25 O ATOM 974 CB ASP A 64 -5.551 17.534 10.691 1.00 33.41 C ATOM 975 CG ASP A 64 -6.479 16.478 11.271 1.00 71.31 C ATOM 976 OD1 ASP A 64 -6.644 16.443 12.511 1.00 65.31 O ATOM 977 OD2 ASP A 64 -7.064 15.693 10.495 1.00 32.40 O ATOM 0 H ASP A 64 -3.416 18.359 9.110 1.00 75.53 H new ATOM 0 HA ASP A 64 -3.744 16.861 11.645 1.00 54.21 H new ATOM 0 HB2 ASP A 64 -5.620 18.440 11.292 1.00 33.41 H new ATOM 0 HB3 ASP A 64 -5.886 17.792 9.686 1.00 33.41 H new ATOM 982 N ASP A 65 -3.718 15.987 8.504 1.00 40.53 N ATOM 983 CA ASP A 65 -3.739 14.873 7.565 1.00 0.43 C ATOM 984 C ASP A 65 -2.403 14.149 7.541 1.00 33.11 C ATOM 985 O ASP A 65 -1.375 14.689 7.952 1.00 70.24 O ATOM 986 CB ASP A 65 -4.073 15.350 6.150 1.00 1.21 C ATOM 987 CG ASP A 65 -5.414 16.044 6.052 1.00 64.43 C ATOM 988 OD1 ASP A 65 -6.452 15.364 6.170 1.00 53.44 O ATOM 989 OD2 ASP A 65 -5.430 17.276 5.848 1.00 74.40 O ATOM 0 H ASP A 65 -3.493 16.889 8.084 1.00 40.53 H new ATOM 0 HA ASP A 65 -4.513 14.185 7.905 1.00 0.43 H new ATOM 0 HB2 ASP A 65 -3.293 16.032 5.811 1.00 1.21 H new ATOM 0 HB3 ASP A 65 -4.064 14.495 5.474 1.00 1.21 H new ATOM 994 N LEU A 66 -2.429 12.927 7.042 1.00 51.05 N ATOM 995 CA LEU A 66 -1.230 12.119 6.906 1.00 24.35 C ATOM 996 C LEU A 66 -0.855 12.005 5.439 1.00 44.44 C ATOM 997 O LEU A 66 -1.582 11.403 4.650 1.00 65.31 O ATOM 998 CB LEU A 66 -1.460 10.726 7.499 1.00 63.45 C ATOM 999 CG LEU A 66 -1.760 10.695 9.001 1.00 62.32 C ATOM 1000 CD1 LEU A 66 -2.130 9.289 9.446 1.00 43.21 C ATOM 1001 CD2 LEU A 66 -0.562 11.196 9.791 1.00 62.41 C ATOM 0 H LEU A 66 -3.280 12.467 6.720 1.00 51.05 H new ATOM 0 HA LEU A 66 -0.415 12.598 7.449 1.00 24.35 H new ATOM 0 HB2 LEU A 66 -2.289 10.256 6.970 1.00 63.45 H new ATOM 0 HB3 LEU A 66 -0.576 10.118 7.309 1.00 63.45 H new ATOM 0 HG LEU A 66 -2.608 11.353 9.193 1.00 62.32 H new ATOM 0 HD11 LEU A 66 -2.339 9.289 10.516 1.00 43.21 H new ATOM 0 HD12 LEU A 66 -3.015 8.957 8.903 1.00 43.21 H new ATOM 0 HD13 LEU A 66 -1.301 8.612 9.238 1.00 43.21 H new ATOM 0 HD21 LEU A 66 -0.791 11.168 10.856 1.00 62.41 H new ATOM 0 HD22 LEU A 66 0.299 10.560 9.588 1.00 62.41 H new ATOM 0 HD23 LEU A 66 -0.334 12.220 9.496 1.00 62.41 H new ATOM 1013 N TRP A 67 0.266 12.597 5.072 1.00 43.02 N ATOM 1014 CA TRP A 67 0.694 12.622 3.684 1.00 64.44 C ATOM 1015 C TRP A 67 1.922 11.747 3.504 1.00 23.03 C ATOM 1016 O TRP A 67 3.014 12.094 3.957 1.00 71.20 O ATOM 1017 CB TRP A 67 1.011 14.056 3.243 1.00 2.15 C ATOM 1018 CG TRP A 67 -0.145 15.004 3.366 1.00 54.42 C ATOM 1019 CD1 TRP A 67 -0.745 15.415 4.522 1.00 2.30 C ATOM 1020 CD2 TRP A 67 -0.833 15.671 2.297 1.00 44.41 C ATOM 1021 NE1 TRP A 67 -1.758 16.297 4.238 1.00 41.33 N ATOM 1022 CE2 TRP A 67 -1.838 16.465 2.884 1.00 71.32 C ATOM 1023 CE3 TRP A 67 -0.704 15.674 0.905 1.00 65.41 C ATOM 1024 CZ2 TRP A 67 -2.702 17.253 2.130 1.00 73.32 C ATOM 1025 CZ3 TRP A 67 -1.565 16.458 0.159 1.00 23.54 C ATOM 1026 CH2 TRP A 67 -2.552 17.235 0.773 1.00 61.52 C ATOM 0 H TRP A 67 0.899 13.069 5.717 1.00 43.02 H new ATOM 0 HA TRP A 67 -0.117 12.237 3.066 1.00 64.44 H new ATOM 0 HB2 TRP A 67 1.841 14.433 3.840 1.00 2.15 H new ATOM 0 HB3 TRP A 67 1.345 14.040 2.206 1.00 2.15 H new ATOM 0 HD1 TRP A 67 -0.464 15.093 5.514 1.00 2.30 H new ATOM 0 HE1 TRP A 67 -2.355 16.754 4.927 1.00 41.33 H new ATOM 0 HE3 TRP A 67 0.054 15.075 0.421 1.00 65.41 H new ATOM 0 HZ2 TRP A 67 -3.464 17.857 2.601 1.00 73.32 H new ATOM 0 HZ3 TRP A 67 -1.473 16.470 -0.917 1.00 23.54 H new ATOM 0 HH2 TRP A 67 -3.210 17.834 0.161 1.00 61.52 H new ATOM 1037 N VAL A 68 1.745 10.608 2.863 1.00 2.51 N ATOM 1038 CA VAL A 68 2.859 9.713 2.614 1.00 20.14 C ATOM 1039 C VAL A 68 3.684 10.233 1.442 1.00 3.22 C ATOM 1040 O VAL A 68 3.133 10.666 0.428 1.00 71.45 O ATOM 1041 CB VAL A 68 2.385 8.264 2.343 1.00 2.24 C ATOM 1042 CG1 VAL A 68 1.563 8.177 1.065 1.00 11.04 C ATOM 1043 CG2 VAL A 68 3.572 7.312 2.293 1.00 45.21 C ATOM 0 H VAL A 68 0.847 10.282 2.507 1.00 2.51 H new ATOM 0 HA VAL A 68 3.478 9.687 3.511 1.00 20.14 H new ATOM 0 HB VAL A 68 1.739 7.964 3.168 1.00 2.24 H new ATOM 0 HG11 VAL A 68 1.247 7.146 0.905 1.00 11.04 H new ATOM 0 HG12 VAL A 68 0.685 8.817 1.153 1.00 11.04 H new ATOM 0 HG13 VAL A 68 2.168 8.506 0.220 1.00 11.04 H new ATOM 0 HG21 VAL A 68 3.218 6.299 2.102 1.00 45.21 H new ATOM 0 HG22 VAL A 68 4.249 7.617 1.495 1.00 45.21 H new ATOM 0 HG23 VAL A 68 4.100 7.338 3.246 1.00 45.21 H new ATOM 1053 N ALA A 69 4.995 10.243 1.609 1.00 12.32 N ATOM 1054 CA ALA A 69 5.891 10.701 0.566 1.00 73.41 C ATOM 1055 C ALA A 69 6.826 9.583 0.138 1.00 74.03 C ATOM 1056 O ALA A 69 7.386 8.879 0.971 1.00 0.04 O ATOM 1057 CB ALA A 69 6.688 11.910 1.035 1.00 54.03 C ATOM 0 H ALA A 69 5.463 9.937 2.462 1.00 12.32 H new ATOM 0 HA ALA A 69 5.291 10.998 -0.294 1.00 73.41 H new ATOM 0 HB1 ALA A 69 7.354 12.238 0.237 1.00 54.03 H new ATOM 0 HB2 ALA A 69 6.004 12.719 1.292 1.00 54.03 H new ATOM 0 HB3 ALA A 69 7.277 11.640 1.912 1.00 54.03 H new ATOM 1063 N SER A 70 6.975 9.415 -1.160 1.00 61.15 N ATOM 1064 CA SER A 70 7.886 8.423 -1.704 1.00 51.23 C ATOM 1065 C SER A 70 9.336 8.896 -1.560 1.00 70.55 C ATOM 1066 O SER A 70 9.612 10.089 -1.660 1.00 50.13 O ATOM 1067 CB SER A 70 7.526 8.163 -3.165 1.00 21.10 C ATOM 1068 OG SER A 70 7.006 9.338 -3.771 1.00 61.33 O ATOM 0 H SER A 70 6.474 9.956 -1.864 1.00 61.15 H new ATOM 0 HA SER A 70 7.791 7.490 -1.149 1.00 51.23 H new ATOM 0 HB2 SER A 70 8.410 7.828 -3.708 1.00 21.10 H new ATOM 0 HB3 SER A 70 6.791 7.360 -3.226 1.00 21.10 H new ATOM 0 HG SER A 70 6.031 9.353 -3.672 1.00 61.33 H new ATOM 1074 N PRO A 71 10.276 7.968 -1.316 1.00 41.43 N ATOM 1075 CA PRO A 71 11.688 8.303 -1.075 1.00 32.45 C ATOM 1076 C PRO A 71 12.321 9.103 -2.215 1.00 24.40 C ATOM 1077 O PRO A 71 12.897 10.170 -1.991 1.00 41.11 O ATOM 1078 CB PRO A 71 12.375 6.935 -0.939 1.00 72.03 C ATOM 1079 CG PRO A 71 11.402 5.946 -1.488 1.00 21.14 C ATOM 1080 CD PRO A 71 10.041 6.520 -1.235 1.00 71.50 C ATOM 0 HA PRO A 71 11.794 8.940 -0.197 1.00 32.45 H new ATOM 0 HB2 PRO A 71 13.314 6.910 -1.492 1.00 72.03 H new ATOM 0 HB3 PRO A 71 12.612 6.716 0.102 1.00 72.03 H new ATOM 0 HG2 PRO A 71 11.566 5.787 -2.554 1.00 21.14 H new ATOM 0 HG3 PRO A 71 11.514 4.977 -1.001 1.00 21.14 H new ATOM 0 HD2 PRO A 71 9.317 6.186 -1.978 1.00 71.50 H new ATOM 0 HD3 PRO A 71 9.654 6.227 -0.259 1.00 71.50 H new ATOM 1088 N LEU A 72 12.211 8.584 -3.431 1.00 71.41 N ATOM 1089 CA LEU A 72 12.820 9.224 -4.591 1.00 60.24 C ATOM 1090 C LEU A 72 11.848 10.182 -5.277 1.00 73.14 C ATOM 1091 O LEU A 72 12.201 11.314 -5.598 1.00 45.53 O ATOM 1092 CB LEU A 72 13.301 8.166 -5.587 1.00 32.05 C ATOM 1093 CG LEU A 72 14.456 7.285 -5.098 1.00 63.30 C ATOM 1094 CD1 LEU A 72 14.808 6.236 -6.143 1.00 22.42 C ATOM 1095 CD2 LEU A 72 15.672 8.139 -4.768 1.00 45.41 C ATOM 0 H LEU A 72 11.706 7.723 -3.640 1.00 71.41 H new ATOM 0 HA LEU A 72 13.673 9.804 -4.240 1.00 60.24 H new ATOM 0 HB2 LEU A 72 12.459 7.523 -5.844 1.00 32.05 H new ATOM 0 HB3 LEU A 72 13.611 8.668 -6.504 1.00 32.05 H new ATOM 0 HG LEU A 72 14.138 6.771 -4.191 1.00 63.30 H new ATOM 0 HD11 LEU A 72 15.630 5.620 -5.778 1.00 22.42 H new ATOM 0 HD12 LEU A 72 13.939 5.606 -6.333 1.00 22.42 H new ATOM 0 HD13 LEU A 72 15.107 6.730 -7.068 1.00 22.42 H new ATOM 0 HD21 LEU A 72 16.483 7.499 -4.422 1.00 45.41 H new ATOM 0 HD22 LEU A 72 15.991 8.679 -5.660 1.00 45.41 H new ATOM 0 HD23 LEU A 72 15.414 8.852 -3.985 1.00 45.41 H new ATOM 1107 N LYS A 73 10.624 9.720 -5.499 1.00 71.52 N ATOM 1108 CA LYS A 73 9.616 10.523 -6.185 1.00 35.41 C ATOM 1109 C LYS A 73 9.238 11.746 -5.351 1.00 42.10 C ATOM 1110 O LYS A 73 8.929 12.807 -5.893 1.00 65.44 O ATOM 1111 CB LYS A 73 8.373 9.676 -6.467 1.00 40.32 C ATOM 1112 CG LYS A 73 8.651 8.416 -7.272 1.00 61.43 C ATOM 1113 CD LYS A 73 9.003 8.737 -8.715 1.00 41.24 C ATOM 1114 CE LYS A 73 9.313 7.473 -9.503 1.00 41.12 C ATOM 1115 NZ LYS A 73 9.398 7.727 -10.964 1.00 44.54 N ATOM 0 H LYS A 73 10.304 8.794 -5.215 1.00 71.52 H new ATOM 0 HA LYS A 73 10.036 10.867 -7.130 1.00 35.41 H new ATOM 0 HB2 LYS A 73 7.915 9.395 -5.519 1.00 40.32 H new ATOM 0 HB3 LYS A 73 7.646 10.285 -7.004 1.00 40.32 H new ATOM 0 HG2 LYS A 73 9.470 7.864 -6.812 1.00 61.43 H new ATOM 0 HG3 LYS A 73 7.775 7.767 -7.247 1.00 61.43 H new ATOM 0 HD2 LYS A 73 8.174 9.267 -9.185 1.00 41.24 H new ATOM 0 HD3 LYS A 73 9.864 9.405 -8.742 1.00 41.24 H new ATOM 0 HE2 LYS A 73 10.256 7.052 -9.154 1.00 41.12 H new ATOM 0 HE3 LYS A 73 8.541 6.728 -9.310 1.00 41.12 H new ATOM 0 HZ1 LYS A 73 10.090 7.078 -11.390 1.00 44.54 H new ATOM 0 HZ2 LYS A 73 8.466 7.573 -11.398 1.00 44.54 H new ATOM 0 HZ3 LYS A 73 9.698 8.709 -11.129 1.00 44.54 H new ATOM 1129 N LYS A 74 9.262 11.574 -4.030 1.00 0.13 N ATOM 1130 CA LYS A 74 8.994 12.652 -3.078 1.00 32.10 C ATOM 1131 C LYS A 74 7.582 13.211 -3.265 1.00 55.05 C ATOM 1132 O LYS A 74 7.305 14.374 -2.966 1.00 53.10 O ATOM 1133 CB LYS A 74 10.050 13.756 -3.221 1.00 52.43 C ATOM 1134 CG LYS A 74 10.189 14.627 -1.984 1.00 42.33 C ATOM 1135 CD LYS A 74 11.369 15.575 -2.097 1.00 12.01 C ATOM 1136 CE LYS A 74 11.628 16.294 -0.786 1.00 10.21 C ATOM 1137 NZ LYS A 74 12.854 17.132 -0.849 1.00 23.01 N ATOM 0 H LYS A 74 9.469 10.679 -3.588 1.00 0.13 H new ATOM 0 HA LYS A 74 9.054 12.246 -2.068 1.00 32.10 H new ATOM 0 HB2 LYS A 74 11.014 13.299 -3.444 1.00 52.43 H new ATOM 0 HB3 LYS A 74 9.792 14.386 -4.072 1.00 52.43 H new ATOM 0 HG2 LYS A 74 9.274 15.201 -1.838 1.00 42.33 H new ATOM 0 HG3 LYS A 74 10.313 13.994 -1.105 1.00 42.33 H new ATOM 0 HD2 LYS A 74 12.259 15.018 -2.390 1.00 12.01 H new ATOM 0 HD3 LYS A 74 11.177 16.306 -2.883 1.00 12.01 H new ATOM 0 HE2 LYS A 74 10.771 16.921 -0.540 1.00 10.21 H new ATOM 0 HE3 LYS A 74 11.728 15.563 0.016 1.00 10.21 H new ATOM 0 HZ1 LYS A 74 12.997 17.607 0.065 1.00 23.01 H new ATOM 0 HZ2 LYS A 74 13.676 16.530 -1.059 1.00 23.01 H new ATOM 0 HZ3 LYS A 74 12.748 17.846 -1.597 1.00 23.01 H new ATOM 1151 N GLN A 75 6.686 12.358 -3.732 1.00 1.03 N ATOM 1152 CA GLN A 75 5.308 12.754 -3.974 1.00 42.42 C ATOM 1153 C GLN A 75 4.450 12.485 -2.744 1.00 5.55 C ATOM 1154 O GLN A 75 4.578 11.442 -2.104 1.00 14.31 O ATOM 1155 CB GLN A 75 4.758 12.026 -5.200 1.00 1.51 C ATOM 1156 CG GLN A 75 5.423 12.468 -6.493 1.00 45.32 C ATOM 1157 CD GLN A 75 4.982 11.663 -7.697 1.00 70.22 C ATOM 1158 OE1 GLN A 75 3.862 11.162 -7.754 1.00 21.44 O ATOM 1159 NE2 GLN A 75 5.863 11.546 -8.679 1.00 52.04 N ATOM 0 H GLN A 75 6.889 11.383 -3.952 1.00 1.03 H new ATOM 0 HA GLN A 75 5.279 13.825 -4.173 1.00 42.42 H new ATOM 0 HB2 GLN A 75 4.898 10.953 -5.073 1.00 1.51 H new ATOM 0 HB3 GLN A 75 3.684 12.201 -5.270 1.00 1.51 H new ATOM 0 HG2 GLN A 75 5.200 13.521 -6.667 1.00 45.32 H new ATOM 0 HG3 GLN A 75 6.504 12.384 -6.385 1.00 45.32 H new ATOM 0 HE21 GLN A 75 6.783 11.977 -8.593 1.00 52.04 H new ATOM 0 HE22 GLN A 75 5.621 11.025 -9.522 1.00 52.04 H new ATOM 1168 N HIS A 76 3.591 13.442 -2.423 1.00 54.54 N ATOM 1169 CA HIS A 76 2.788 13.404 -1.205 1.00 15.13 C ATOM 1170 C HIS A 76 1.358 12.972 -1.510 1.00 25.23 C ATOM 1171 O HIS A 76 0.690 13.566 -2.356 1.00 60.12 O ATOM 1172 CB HIS A 76 2.758 14.789 -0.551 1.00 33.45 C ATOM 1173 CG HIS A 76 4.107 15.427 -0.401 1.00 12.25 C ATOM 1174 ND1 HIS A 76 4.741 16.102 -1.427 1.00 23.14 N ATOM 1175 CD2 HIS A 76 4.939 15.498 0.663 1.00 52.41 C ATOM 1176 CE1 HIS A 76 5.903 16.562 -0.996 1.00 53.31 C ATOM 1177 NE2 HIS A 76 6.046 16.208 0.268 1.00 35.41 N ATOM 0 H HIS A 76 3.430 14.268 -2.999 1.00 54.54 H new ATOM 0 HA HIS A 76 3.243 12.682 -0.527 1.00 15.13 H new ATOM 0 HB2 HIS A 76 2.122 15.445 -1.145 1.00 33.45 H new ATOM 0 HB3 HIS A 76 2.297 14.704 0.433 1.00 33.45 H new ATOM 0 HD1 HIS A 76 4.370 16.226 -2.369 1.00 23.14 H new ATOM 0 HD2 HIS A 76 4.765 15.075 1.641 1.00 52.41 H new ATOM 0 HE1 HIS A 76 6.614 17.130 -1.578 1.00 53.31 H new ATOM 1186 N PHE A 77 0.891 11.947 -0.817 1.00 61.33 N ATOM 1187 CA PHE A 77 -0.476 11.476 -0.979 1.00 21.40 C ATOM 1188 C PHE A 77 -1.209 11.521 0.357 1.00 21.02 C ATOM 1189 O PHE A 77 -0.738 10.958 1.347 1.00 3.14 O ATOM 1190 CB PHE A 77 -0.483 10.045 -1.527 1.00 2.21 C ATOM 1191 CG PHE A 77 0.315 9.874 -2.790 1.00 21.54 C ATOM 1192 CD1 PHE A 77 -0.239 10.174 -4.023 1.00 51.11 C ATOM 1193 CD2 PHE A 77 1.621 9.415 -2.740 1.00 42.04 C ATOM 1194 CE1 PHE A 77 0.494 10.018 -5.184 1.00 11.22 C ATOM 1195 CE2 PHE A 77 2.360 9.258 -3.897 1.00 31.52 C ATOM 1196 CZ PHE A 77 1.795 9.560 -5.121 1.00 70.32 C ATOM 0 H PHE A 77 1.439 11.423 -0.135 1.00 61.33 H new ATOM 0 HA PHE A 77 -0.987 12.129 -1.687 1.00 21.40 H new ATOM 0 HB2 PHE A 77 -0.088 9.372 -0.765 1.00 2.21 H new ATOM 0 HB3 PHE A 77 -1.513 9.743 -1.716 1.00 2.21 H new ATOM 0 HD1 PHE A 77 -1.256 10.534 -4.078 1.00 51.11 H new ATOM 0 HD2 PHE A 77 2.067 9.177 -1.786 1.00 42.04 H new ATOM 0 HE1 PHE A 77 0.050 10.254 -6.140 1.00 11.22 H new ATOM 0 HE2 PHE A 77 3.378 8.900 -3.845 1.00 31.52 H new ATOM 0 HZ PHE A 77 2.370 9.438 -6.027 1.00 70.32 H new ATOM 1206 N ARG A 78 -2.349 12.203 0.391 1.00 73.11 N ATOM 1207 CA ARG A 78 -3.142 12.291 1.613 1.00 20.10 C ATOM 1208 C ARG A 78 -3.844 10.968 1.888 1.00 71.03 C ATOM 1209 O ARG A 78 -4.756 10.567 1.158 1.00 0.33 O ATOM 1210 CB ARG A 78 -4.169 13.429 1.531 1.00 23.34 C ATOM 1211 CG ARG A 78 -5.030 13.557 2.783 1.00 75.30 C ATOM 1212 CD ARG A 78 -5.841 14.846 2.794 1.00 73.30 C ATOM 1213 NE ARG A 78 -6.907 14.864 1.790 1.00 11.31 N ATOM 1214 CZ ARG A 78 -7.711 15.911 1.587 1.00 61.31 C ATOM 1215 NH1 ARG A 78 -7.575 17.005 2.331 1.00 65.11 N ATOM 1216 NH2 ARG A 78 -8.658 15.858 0.655 1.00 44.25 N ATOM 0 H ARG A 78 -2.743 12.700 -0.408 1.00 73.11 H new ATOM 0 HA ARG A 78 -2.462 12.509 2.436 1.00 20.10 H new ATOM 0 HB2 ARG A 78 -3.645 14.370 1.361 1.00 23.34 H new ATOM 0 HB3 ARG A 78 -4.816 13.264 0.669 1.00 23.34 H new ATOM 0 HG2 ARG A 78 -5.706 12.704 2.846 1.00 75.30 H new ATOM 0 HG3 ARG A 78 -4.392 13.524 3.666 1.00 75.30 H new ATOM 0 HD2 ARG A 78 -6.279 14.984 3.783 1.00 73.30 H new ATOM 0 HD3 ARG A 78 -5.173 15.690 2.621 1.00 73.30 H new ATOM 0 HE ARG A 78 -7.043 14.033 1.215 1.00 11.31 H new ATOM 0 HH11 ARG A 78 -6.858 17.043 3.055 1.00 65.11 H new ATOM 0 HH12 ARG A 78 -8.188 17.806 2.177 1.00 65.11 H new ATOM 0 HH21 ARG A 78 -8.773 15.015 0.092 1.00 44.25 H new ATOM 0 HH22 ARG A 78 -9.270 16.660 0.503 1.00 44.25 H new ATOM 1230 N LEU A 79 -3.406 10.297 2.943 1.00 23.31 N ATOM 1231 CA LEU A 79 -3.955 9.004 3.322 1.00 12.34 C ATOM 1232 C LEU A 79 -5.324 9.166 3.962 1.00 1.15 C ATOM 1233 O LEU A 79 -5.449 9.217 5.185 1.00 12.10 O ATOM 1234 CB LEU A 79 -3.005 8.283 4.280 1.00 33.12 C ATOM 1235 CG LEU A 79 -1.595 8.056 3.734 1.00 3.01 C ATOM 1236 CD1 LEU A 79 -0.715 7.401 4.785 1.00 3.41 C ATOM 1237 CD2 LEU A 79 -1.647 7.208 2.471 1.00 74.11 C ATOM 0 H LEU A 79 -2.664 10.631 3.558 1.00 23.31 H new ATOM 0 HA LEU A 79 -4.067 8.403 2.420 1.00 12.34 H new ATOM 0 HB2 LEU A 79 -2.934 8.860 5.202 1.00 33.12 H new ATOM 0 HB3 LEU A 79 -3.438 7.317 4.541 1.00 33.12 H new ATOM 0 HG LEU A 79 -1.161 9.023 3.482 1.00 3.01 H new ATOM 0 HD11 LEU A 79 0.285 7.247 4.378 1.00 3.41 H new ATOM 0 HD12 LEU A 79 -0.655 8.045 5.662 1.00 3.41 H new ATOM 0 HD13 LEU A 79 -1.143 6.440 5.070 1.00 3.41 H new ATOM 0 HD21 LEU A 79 -0.636 7.055 2.094 1.00 74.11 H new ATOM 0 HD22 LEU A 79 -2.099 6.243 2.699 1.00 74.11 H new ATOM 0 HD23 LEU A 79 -2.243 7.718 1.714 1.00 74.11 H new ATOM 1249 N TYR A 80 -6.336 9.279 3.118 1.00 43.14 N ATOM 1250 CA TYR A 80 -7.710 9.444 3.561 1.00 63.24 C ATOM 1251 C TYR A 80 -8.633 9.355 2.353 1.00 42.03 C ATOM 1252 O TYR A 80 -9.519 8.501 2.286 1.00 61.45 O ATOM 1253 CB TYR A 80 -7.885 10.797 4.266 1.00 2.10 C ATOM 1254 CG TYR A 80 -9.204 10.953 4.993 1.00 74.03 C ATOM 1255 CD1 TYR A 80 -9.375 10.428 6.265 1.00 43.44 C ATOM 1256 CD2 TYR A 80 -10.270 11.630 4.413 1.00 63.41 C ATOM 1257 CE1 TYR A 80 -10.571 10.568 6.940 1.00 53.51 C ATOM 1258 CE2 TYR A 80 -11.469 11.777 5.084 1.00 34.15 C ATOM 1259 CZ TYR A 80 -11.614 11.243 6.348 1.00 44.51 C ATOM 1260 OH TYR A 80 -12.808 11.387 7.021 1.00 62.42 O ATOM 0 H TYR A 80 -6.227 9.259 2.104 1.00 43.14 H new ATOM 0 HA TYR A 80 -7.961 8.656 4.271 1.00 63.24 H new ATOM 0 HB2 TYR A 80 -7.072 10.930 4.980 1.00 2.10 H new ATOM 0 HB3 TYR A 80 -7.794 11.593 3.527 1.00 2.10 H new ATOM 0 HD1 TYR A 80 -8.559 9.901 6.736 1.00 43.44 H new ATOM 0 HD2 TYR A 80 -10.160 12.047 3.423 1.00 63.41 H new ATOM 0 HE1 TYR A 80 -10.688 10.149 7.929 1.00 53.51 H new ATOM 0 HE2 TYR A 80 -12.288 12.307 4.621 1.00 34.15 H new ATOM 0 HH TYR A 80 -13.439 11.889 6.464 1.00 62.42 H new ATOM 1270 N ASP A 81 -8.398 10.234 1.389 1.00 73.25 N ATOM 1271 CA ASP A 81 -9.181 10.258 0.160 1.00 12.14 C ATOM 1272 C ASP A 81 -8.279 10.079 -1.059 1.00 51.22 C ATOM 1273 O ASP A 81 -8.759 9.863 -2.175 1.00 73.14 O ATOM 1274 CB ASP A 81 -9.948 11.577 0.050 1.00 51.21 C ATOM 1275 CG ASP A 81 -9.044 12.772 -0.183 1.00 33.41 C ATOM 1276 OD1 ASP A 81 -7.902 12.779 0.331 1.00 32.42 O ATOM 1277 OD2 ASP A 81 -9.474 13.716 -0.882 1.00 72.32 O ATOM 0 H ASP A 81 -7.667 10.944 1.434 1.00 73.25 H new ATOM 0 HA ASP A 81 -9.891 9.432 0.191 1.00 12.14 H new ATOM 0 HB2 ASP A 81 -10.665 11.506 -0.768 1.00 51.21 H new ATOM 0 HB3 ASP A 81 -10.521 11.735 0.964 1.00 51.21 H new ATOM 1282 N GLY A 82 -6.972 10.180 -0.842 1.00 31.41 N ATOM 1283 CA GLY A 82 -6.020 10.005 -1.924 1.00 24.24 C ATOM 1284 C GLY A 82 -5.615 11.323 -2.554 1.00 31.02 C ATOM 1285 O GLY A 82 -4.940 11.343 -3.583 1.00 71.44 O ATOM 0 H GLY A 82 -6.554 10.380 0.066 1.00 31.41 H new ATOM 0 HA2 GLY A 82 -5.132 9.498 -1.545 1.00 24.24 H new ATOM 0 HA3 GLY A 82 -6.455 9.359 -2.687 1.00 24.24 H new ATOM 1289 N PHE A 83 -6.029 12.424 -1.935 1.00 22.23 N ATOM 1290 CA PHE A 83 -5.732 13.754 -2.452 1.00 74.11 C ATOM 1291 C PHE A 83 -4.233 14.012 -2.475 1.00 51.01 C ATOM 1292 O PHE A 83 -3.552 13.908 -1.454 1.00 61.44 O ATOM 1293 CB PHE A 83 -6.434 14.823 -1.608 1.00 63.53 C ATOM 1294 CG PHE A 83 -6.153 16.236 -2.046 1.00 72.04 C ATOM 1295 CD1 PHE A 83 -6.701 16.736 -3.215 1.00 62.22 C ATOM 1296 CD2 PHE A 83 -5.343 17.062 -1.284 1.00 5.31 C ATOM 1297 CE1 PHE A 83 -6.442 18.033 -3.618 1.00 53.10 C ATOM 1298 CE2 PHE A 83 -5.083 18.360 -1.681 1.00 53.05 C ATOM 1299 CZ PHE A 83 -5.633 18.845 -2.849 1.00 1.11 C ATOM 0 H PHE A 83 -6.573 12.420 -1.072 1.00 22.23 H new ATOM 0 HA PHE A 83 -6.104 13.806 -3.475 1.00 74.11 H new ATOM 0 HB2 PHE A 83 -7.510 14.650 -1.644 1.00 63.53 H new ATOM 0 HB3 PHE A 83 -6.127 14.709 -0.568 1.00 63.53 H new ATOM 0 HD1 PHE A 83 -7.338 16.106 -3.819 1.00 62.22 H new ATOM 0 HD2 PHE A 83 -4.909 16.687 -0.369 1.00 5.31 H new ATOM 0 HE1 PHE A 83 -6.872 18.410 -4.534 1.00 53.10 H new ATOM 0 HE2 PHE A 83 -4.450 18.994 -1.077 1.00 53.05 H new ATOM 0 HZ PHE A 83 -5.431 19.859 -3.162 1.00 1.11 H new ATOM 1309 N CYS A 84 -3.726 14.332 -3.649 1.00 64.13 N ATOM 1310 CA CYS A 84 -2.337 14.715 -3.802 1.00 23.45 C ATOM 1311 C CYS A 84 -2.234 16.231 -3.716 1.00 64.23 C ATOM 1312 O CYS A 84 -3.145 16.934 -4.152 1.00 65.05 O ATOM 1313 CB CYS A 84 -1.810 14.224 -5.150 1.00 42.11 C ATOM 1314 SG CYS A 84 -2.253 12.512 -5.530 1.00 44.25 S ATOM 0 H CYS A 84 -4.261 14.334 -4.518 1.00 64.13 H new ATOM 0 HA CYS A 84 -1.737 14.264 -3.011 1.00 23.45 H new ATOM 0 HB2 CYS A 84 -2.195 14.872 -5.937 1.00 42.11 H new ATOM 0 HB3 CYS A 84 -0.724 14.319 -5.161 1.00 42.11 H new ATOM 0 HG CYS A 84 -1.230 11.740 -5.312 1.00 44.25 H new ATOM 1320 N LEU A 85 -1.145 16.736 -3.149 1.00 52.05 N ATOM 1321 CA LEU A 85 -0.960 18.177 -3.032 1.00 74.02 C ATOM 1322 C LEU A 85 -0.814 18.782 -4.422 1.00 53.10 C ATOM 1323 O LEU A 85 -1.630 19.602 -4.849 1.00 60.12 O ATOM 1324 CB LEU A 85 0.270 18.500 -2.176 1.00 71.14 C ATOM 1325 CG LEU A 85 0.529 19.991 -1.942 1.00 24.43 C ATOM 1326 CD1 LEU A 85 -0.636 20.631 -1.193 1.00 23.24 C ATOM 1327 CD2 LEU A 85 1.832 20.188 -1.180 1.00 43.30 C ATOM 0 H LEU A 85 -0.384 16.175 -2.766 1.00 52.05 H new ATOM 0 HA LEU A 85 -1.832 18.608 -2.540 1.00 74.02 H new ATOM 0 HB2 LEU A 85 0.158 18.011 -1.208 1.00 71.14 H new ATOM 0 HB3 LEU A 85 1.149 18.066 -2.653 1.00 71.14 H new ATOM 0 HG LEU A 85 0.618 20.482 -2.911 1.00 24.43 H new ATOM 0 HD11 LEU A 85 -0.431 21.690 -1.038 1.00 23.24 H new ATOM 0 HD12 LEU A 85 -1.549 20.520 -1.778 1.00 23.24 H new ATOM 0 HD13 LEU A 85 -0.762 20.140 -0.228 1.00 23.24 H new ATOM 0 HD21 LEU A 85 2.003 21.253 -1.021 1.00 43.30 H new ATOM 0 HD22 LEU A 85 1.770 19.682 -0.216 1.00 43.30 H new ATOM 0 HD23 LEU A 85 2.657 19.770 -1.756 1.00 43.30 H new ATOM 1339 N GLU A 86 0.239 18.362 -5.112 1.00 50.30 N ATOM 1340 CA GLU A 86 0.459 18.689 -6.520 1.00 45.12 C ATOM 1341 C GLU A 86 1.133 17.498 -7.176 1.00 35.11 C ATOM 1342 O GLU A 86 1.635 17.563 -8.299 1.00 75.22 O ATOM 1343 CB GLU A 86 1.339 19.932 -6.668 1.00 74.33 C ATOM 1344 CG GLU A 86 0.666 21.214 -6.226 1.00 42.55 C ATOM 1345 CD GLU A 86 1.540 22.425 -6.447 1.00 22.31 C ATOM 1346 OE1 GLU A 86 1.685 22.856 -7.613 1.00 0.52 O ATOM 1347 OE2 GLU A 86 2.070 22.968 -5.461 1.00 35.10 O ATOM 0 H GLU A 86 0.973 17.779 -4.709 1.00 50.30 H new ATOM 0 HA GLU A 86 -0.497 18.905 -6.997 1.00 45.12 H new ATOM 0 HB2 GLU A 86 2.250 19.792 -6.086 1.00 74.33 H new ATOM 0 HB3 GLU A 86 1.639 20.031 -7.711 1.00 74.33 H new ATOM 0 HG2 GLU A 86 -0.269 21.338 -6.773 1.00 42.55 H new ATOM 0 HG3 GLU A 86 0.410 21.142 -5.169 1.00 42.55 H new ATOM 1354 N ASP A 87 1.089 16.400 -6.449 1.00 73.35 N ATOM 1355 CA ASP A 87 1.870 15.213 -6.739 1.00 74.50 C ATOM 1356 C ASP A 87 1.058 14.214 -7.551 1.00 34.44 C ATOM 1357 O ASP A 87 1.264 13.005 -7.449 1.00 12.21 O ATOM 1358 CB ASP A 87 2.291 14.571 -5.415 1.00 32.12 C ATOM 1359 CG ASP A 87 2.738 15.587 -4.378 1.00 23.35 C ATOM 1360 OD1 ASP A 87 1.881 16.324 -3.849 1.00 51.43 O ATOM 1361 OD2 ASP A 87 3.947 15.630 -4.057 1.00 54.41 O ATOM 0 H ASP A 87 0.498 16.305 -5.623 1.00 73.35 H new ATOM 0 HA ASP A 87 2.746 15.496 -7.323 1.00 74.50 H new ATOM 0 HB2 ASP A 87 1.456 13.995 -5.015 1.00 32.12 H new ATOM 0 HB3 ASP A 87 3.103 13.868 -5.601 1.00 32.12 H new ATOM 1366 N GLY A 88 0.154 14.723 -8.376 1.00 11.51 N ATOM 1367 CA GLY A 88 -0.731 13.861 -9.141 1.00 75.03 C ATOM 1368 C GLY A 88 -0.060 13.245 -10.355 1.00 43.11 C ATOM 1369 O GLY A 88 -0.642 13.205 -11.436 1.00 15.43 O ATOM 0 H GLY A 88 0.016 15.722 -8.531 1.00 11.51 H new ATOM 0 HA2 GLY A 88 -1.101 13.065 -8.495 1.00 75.03 H new ATOM 0 HA3 GLY A 88 -1.598 14.437 -9.466 1.00 75.03 H new ATOM 1373 N ALA A 89 1.159 12.754 -10.178 1.00 51.54 N ATOM 1374 CA ALA A 89 1.885 12.105 -11.260 1.00 64.14 C ATOM 1375 C ALA A 89 1.516 10.631 -11.326 1.00 22.15 C ATOM 1376 O ALA A 89 1.678 9.977 -12.357 1.00 71.25 O ATOM 1377 CB ALA A 89 3.385 12.279 -11.075 1.00 11.33 C ATOM 0 H ALA A 89 1.666 12.793 -9.294 1.00 51.54 H new ATOM 0 HA ALA A 89 1.604 12.574 -12.203 1.00 64.14 H new ATOM 0 HB1 ALA A 89 3.912 11.788 -11.893 1.00 11.33 H new ATOM 0 HB2 ALA A 89 3.630 13.341 -11.071 1.00 11.33 H new ATOM 0 HB3 ALA A 89 3.689 11.833 -10.128 1.00 11.33 H new ATOM 1383 N TYR A 90 1.018 10.118 -10.212 1.00 4.33 N ATOM 1384 CA TYR A 90 0.531 8.753 -10.135 1.00 75.13 C ATOM 1385 C TYR A 90 -0.896 8.764 -9.612 1.00 13.43 C ATOM 1386 O TYR A 90 -1.126 8.775 -8.404 1.00 73.45 O ATOM 1387 CB TYR A 90 1.423 7.891 -9.232 1.00 3.24 C ATOM 1388 CG TYR A 90 2.819 7.671 -9.778 1.00 71.11 C ATOM 1389 CD1 TYR A 90 3.100 6.597 -10.616 1.00 2.41 C ATOM 1390 CD2 TYR A 90 3.854 8.534 -9.455 1.00 74.11 C ATOM 1391 CE1 TYR A 90 4.374 6.395 -11.115 1.00 61.45 C ATOM 1392 CE2 TYR A 90 5.130 8.340 -9.950 1.00 2.04 C ATOM 1393 CZ TYR A 90 5.385 7.269 -10.779 1.00 24.12 C ATOM 1394 OH TYR A 90 6.655 7.077 -11.275 1.00 61.33 O ATOM 0 H TYR A 90 0.941 10.637 -9.337 1.00 4.33 H new ATOM 0 HA TYR A 90 0.556 8.315 -11.133 1.00 75.13 H new ATOM 0 HB2 TYR A 90 1.497 8.364 -8.253 1.00 3.24 H new ATOM 0 HB3 TYR A 90 0.945 6.923 -9.083 1.00 3.24 H new ATOM 0 HD1 TYR A 90 2.310 5.910 -10.881 1.00 2.41 H new ATOM 0 HD2 TYR A 90 3.660 9.374 -8.804 1.00 74.11 H new ATOM 0 HE1 TYR A 90 4.576 5.556 -11.765 1.00 61.45 H new ATOM 0 HE2 TYR A 90 5.923 9.024 -9.688 1.00 2.04 H new ATOM 0 HH TYR A 90 6.602 6.641 -12.151 1.00 61.33 H new ATOM 1404 N SER A 91 -1.839 8.823 -10.534 1.00 11.32 N ATOM 1405 CA SER A 91 -3.254 8.879 -10.195 1.00 64.42 C ATOM 1406 C SER A 91 -3.696 7.639 -9.422 1.00 41.12 C ATOM 1407 O SER A 91 -3.914 6.570 -9.998 1.00 62.43 O ATOM 1408 CB SER A 91 -4.081 9.035 -11.471 1.00 65.22 C ATOM 1409 OG SER A 91 -3.716 10.217 -12.168 1.00 15.12 O ATOM 0 H SER A 91 -1.650 8.834 -11.536 1.00 11.32 H new ATOM 0 HA SER A 91 -3.417 9.741 -9.549 1.00 64.42 H new ATOM 0 HB2 SER A 91 -3.932 8.168 -12.114 1.00 65.22 H new ATOM 0 HB3 SER A 91 -5.141 9.068 -11.221 1.00 65.22 H new ATOM 0 HG SER A 91 -4.256 10.297 -12.982 1.00 15.12 H new ATOM 1415 N VAL A 92 -3.809 7.791 -8.110 1.00 53.32 N ATOM 1416 CA VAL A 92 -4.246 6.711 -7.241 1.00 75.15 C ATOM 1417 C VAL A 92 -5.487 7.129 -6.462 1.00 42.15 C ATOM 1418 O VAL A 92 -5.788 8.318 -6.351 1.00 4.01 O ATOM 1419 CB VAL A 92 -3.137 6.285 -6.255 1.00 22.13 C ATOM 1420 CG1 VAL A 92 -1.943 5.716 -7.006 1.00 23.33 C ATOM 1421 CG2 VAL A 92 -2.711 7.452 -5.375 1.00 24.44 C ATOM 0 H VAL A 92 -3.601 8.662 -7.621 1.00 53.32 H new ATOM 0 HA VAL A 92 -4.481 5.857 -7.877 1.00 75.15 H new ATOM 0 HB VAL A 92 -3.541 5.506 -5.609 1.00 22.13 H new ATOM 0 HG11 VAL A 92 -1.172 5.421 -6.294 1.00 23.33 H new ATOM 0 HG12 VAL A 92 -2.257 4.845 -7.582 1.00 23.33 H new ATOM 0 HG13 VAL A 92 -1.543 6.473 -7.681 1.00 23.33 H new ATOM 0 HG21 VAL A 92 -1.929 7.125 -4.690 1.00 24.44 H new ATOM 0 HG22 VAL A 92 -2.331 8.260 -6.001 1.00 24.44 H new ATOM 0 HG23 VAL A 92 -3.568 7.809 -4.804 1.00 24.44 H new ATOM 1431 N ALA A 93 -6.201 6.150 -5.924 1.00 2.01 N ATOM 1432 CA ALA A 93 -7.417 6.417 -5.175 1.00 32.32 C ATOM 1433 C ALA A 93 -7.460 5.566 -3.916 1.00 44.53 C ATOM 1434 O ALA A 93 -6.609 4.696 -3.716 1.00 22.23 O ATOM 1435 CB ALA A 93 -8.643 6.154 -6.038 1.00 42.33 C ATOM 0 H ALA A 93 -5.957 5.162 -5.994 1.00 2.01 H new ATOM 0 HA ALA A 93 -7.421 7.467 -4.884 1.00 32.32 H new ATOM 0 HB1 ALA A 93 -9.545 6.359 -5.461 1.00 42.33 H new ATOM 0 HB2 ALA A 93 -8.617 6.802 -6.914 1.00 42.33 H new ATOM 0 HB3 ALA A 93 -8.646 5.112 -6.358 1.00 42.33 H new ATOM 1441 N ALA A 94 -8.447 5.813 -3.073 1.00 12.21 N ATOM 1442 CA ALA A 94 -8.584 5.087 -1.842 1.00 44.05 C ATOM 1443 C ALA A 94 -9.666 4.031 -1.980 1.00 72.04 C ATOM 1444 O ALA A 94 -10.017 3.624 -3.088 1.00 71.51 O ATOM 1445 CB ALA A 94 -8.907 6.050 -0.709 1.00 64.45 C ATOM 0 H ALA A 94 -9.167 6.519 -3.229 1.00 12.21 H new ATOM 0 HA ALA A 94 -7.644 4.585 -1.611 1.00 44.05 H new ATOM 0 HB1 ALA A 94 -9.010 5.494 0.223 1.00 64.45 H new ATOM 0 HB2 ALA A 94 -8.102 6.778 -0.610 1.00 64.45 H new ATOM 0 HB3 ALA A 94 -9.841 6.568 -0.927 1.00 64.45 H new ATOM 1451 N TYR A 95 -10.182 3.610 -0.847 1.00 71.23 N ATOM 1452 CA TYR A 95 -11.210 2.582 -0.773 1.00 4.10 C ATOM 1453 C TYR A 95 -11.975 2.711 0.533 1.00 11.25 C ATOM 1454 O TYR A 95 -11.580 3.473 1.421 1.00 34.01 O ATOM 1455 CB TYR A 95 -10.601 1.175 -0.846 1.00 71.20 C ATOM 1456 CG TYR A 95 -10.446 0.622 -2.244 1.00 52.42 C ATOM 1457 CD1 TYR A 95 -11.398 0.879 -3.221 1.00 10.44 C ATOM 1458 CD2 TYR A 95 -9.353 -0.164 -2.581 1.00 13.53 C ATOM 1459 CE1 TYR A 95 -11.266 0.367 -4.494 1.00 15.44 C ATOM 1460 CE2 TYR A 95 -9.217 -0.685 -3.853 1.00 21.13 C ATOM 1461 CZ TYR A 95 -10.174 -0.413 -4.806 1.00 62.11 C ATOM 1462 OH TYR A 95 -10.049 -0.933 -6.074 1.00 32.11 O ATOM 0 H TYR A 95 -9.900 3.973 0.063 1.00 71.23 H new ATOM 0 HA TYR A 95 -11.879 2.722 -1.622 1.00 4.10 H new ATOM 0 HB2 TYR A 95 -9.622 1.193 -0.367 1.00 71.20 H new ATOM 0 HB3 TYR A 95 -11.226 0.494 -0.268 1.00 71.20 H new ATOM 0 HD1 TYR A 95 -12.256 1.490 -2.980 1.00 10.44 H new ATOM 0 HD2 TYR A 95 -8.598 -0.371 -1.838 1.00 13.53 H new ATOM 0 HE1 TYR A 95 -12.015 0.576 -5.243 1.00 15.44 H new ATOM 0 HE2 TYR A 95 -8.365 -1.302 -4.099 1.00 21.13 H new ATOM 0 HH TYR A 95 -9.154 -0.737 -6.421 1.00 32.11 H new ATOM 1472 N ASP A 96 -13.069 1.974 0.638 1.00 14.31 N ATOM 1473 CA ASP A 96 -13.789 1.846 1.895 1.00 25.43 C ATOM 1474 C ASP A 96 -13.210 0.681 2.680 1.00 42.33 C ATOM 1475 O ASP A 96 -13.109 -0.426 2.159 1.00 63.24 O ATOM 1476 CB ASP A 96 -15.283 1.621 1.654 1.00 44.00 C ATOM 1477 CG ASP A 96 -15.988 2.853 1.137 1.00 20.23 C ATOM 1478 OD1 ASP A 96 -16.429 3.678 1.961 1.00 30.22 O ATOM 1479 OD2 ASP A 96 -16.110 3.002 -0.097 1.00 51.53 O ATOM 0 H ASP A 96 -13.480 1.453 -0.137 1.00 14.31 H new ATOM 0 HA ASP A 96 -13.677 2.771 2.461 1.00 25.43 H new ATOM 0 HB2 ASP A 96 -15.412 0.808 0.939 1.00 44.00 H new ATOM 0 HB3 ASP A 96 -15.752 1.304 2.585 1.00 44.00 H new ATOM 1484 N THR A 97 -12.826 0.925 3.920 1.00 25.04 N ATOM 1485 CA THR A 97 -12.165 -0.095 4.724 1.00 43.35 C ATOM 1486 C THR A 97 -12.849 -0.249 6.081 1.00 13.55 C ATOM 1487 O THR A 97 -13.126 0.744 6.761 1.00 14.31 O ATOM 1488 CB THR A 97 -10.683 0.270 4.958 1.00 74.43 C ATOM 1489 OG1 THR A 97 -10.593 1.508 5.673 1.00 31.02 O ATOM 1490 CG2 THR A 97 -9.932 0.400 3.641 1.00 35.02 C ATOM 0 H THR A 97 -12.959 1.818 4.394 1.00 25.04 H new ATOM 0 HA THR A 97 -12.231 -1.034 4.175 1.00 43.35 H new ATOM 0 HB THR A 97 -10.229 -0.532 5.540 1.00 74.43 H new ATOM 0 HG1 THR A 97 -11.446 1.691 6.119 1.00 31.02 H new ATOM 0 HG21 THR A 97 -8.892 0.658 3.839 1.00 35.02 H new ATOM 0 HG22 THR A 97 -9.975 -0.547 3.103 1.00 35.02 H new ATOM 0 HG23 THR A 97 -10.391 1.182 3.036 1.00 35.02 H new ATOM 1498 N GLN A 98 -13.129 -1.481 6.471 1.00 43.01 N ATOM 1499 CA GLN A 98 -13.640 -1.747 7.805 1.00 52.24 C ATOM 1500 C GLN A 98 -12.712 -2.694 8.544 1.00 62.15 C ATOM 1501 O GLN A 98 -12.152 -3.621 7.956 1.00 5.23 O ATOM 1502 CB GLN A 98 -15.063 -2.313 7.766 1.00 61.02 C ATOM 1503 CG GLN A 98 -15.218 -3.595 6.960 1.00 24.24 C ATOM 1504 CD GLN A 98 -16.657 -4.082 6.924 1.00 4.11 C ATOM 1505 OE1 GLN A 98 -16.922 -5.282 6.827 1.00 71.22 O ATOM 1506 NE2 GLN A 98 -17.600 -3.155 7.001 1.00 43.40 N ATOM 0 H GLN A 98 -13.012 -2.309 5.887 1.00 43.01 H new ATOM 0 HA GLN A 98 -13.680 -0.798 8.340 1.00 52.24 H new ATOM 0 HB2 GLN A 98 -15.392 -2.501 8.788 1.00 61.02 H new ATOM 0 HB3 GLN A 98 -15.729 -1.556 7.351 1.00 61.02 H new ATOM 0 HG2 GLN A 98 -14.868 -3.426 5.942 1.00 24.24 H new ATOM 0 HG3 GLN A 98 -14.585 -4.371 7.390 1.00 24.24 H new ATOM 0 HE21 GLN A 98 -17.343 -2.171 7.080 1.00 43.40 H new ATOM 0 HE22 GLN A 98 -18.583 -3.425 6.981 1.00 43.40 H new ATOM 1515 N VAL A 99 -12.533 -2.436 9.826 1.00 34.34 N ATOM 1516 CA VAL A 99 -11.683 -3.269 10.654 1.00 62.23 C ATOM 1517 C VAL A 99 -12.539 -4.157 11.541 1.00 0.00 C ATOM 1518 O VAL A 99 -12.956 -3.762 12.632 1.00 44.12 O ATOM 1519 CB VAL A 99 -10.724 -2.429 11.526 1.00 60.42 C ATOM 1520 CG1 VAL A 99 -9.792 -3.330 12.324 1.00 34.34 C ATOM 1521 CG2 VAL A 99 -9.926 -1.456 10.665 1.00 10.33 C ATOM 0 H VAL A 99 -12.966 -1.654 10.317 1.00 34.34 H new ATOM 0 HA VAL A 99 -11.075 -3.883 9.990 1.00 62.23 H new ATOM 0 HB VAL A 99 -11.323 -1.850 12.230 1.00 60.42 H new ATOM 0 HG11 VAL A 99 -9.125 -2.717 12.931 1.00 34.34 H new ATOM 0 HG12 VAL A 99 -10.380 -3.979 12.973 1.00 34.34 H new ATOM 0 HG13 VAL A 99 -9.202 -3.940 11.640 1.00 34.34 H new ATOM 0 HG21 VAL A 99 -9.257 -0.874 11.299 1.00 10.33 H new ATOM 0 HG22 VAL A 99 -9.340 -2.013 9.934 1.00 10.33 H new ATOM 0 HG23 VAL A 99 -10.610 -0.784 10.146 1.00 10.33 H new ATOM 1531 N THR A 100 -12.826 -5.345 11.050 1.00 5.45 N ATOM 1532 CA THR A 100 -13.649 -6.286 11.774 1.00 2.24 C ATOM 1533 C THR A 100 -12.830 -7.074 12.789 1.00 54.23 C ATOM 1534 O THR A 100 -12.345 -8.172 12.500 1.00 55.53 O ATOM 1535 CB THR A 100 -14.365 -7.245 10.807 1.00 62.43 C ATOM 1536 OG1 THR A 100 -13.550 -7.465 9.648 1.00 42.25 O ATOM 1537 CG2 THR A 100 -15.712 -6.681 10.382 1.00 20.34 C ATOM 0 H THR A 100 -12.497 -5.682 10.145 1.00 5.45 H new ATOM 0 HA THR A 100 -14.401 -5.713 12.317 1.00 2.24 H new ATOM 0 HB THR A 100 -14.532 -8.190 11.323 1.00 62.43 H new ATOM 0 HG1 THR A 100 -13.091 -8.327 9.729 1.00 42.25 H new ATOM 0 HG21 THR A 100 -16.199 -7.377 9.699 1.00 20.34 H new ATOM 0 HG22 THR A 100 -16.340 -6.537 11.261 1.00 20.34 H new ATOM 0 HG23 THR A 100 -15.564 -5.724 9.881 1.00 20.34 H new ATOM 1545 N ASN A 101 -12.639 -6.465 13.959 1.00 14.35 N ATOM 1546 CA ASN A 101 -12.017 -7.119 15.111 1.00 41.44 C ATOM 1547 C ASN A 101 -10.525 -7.341 14.899 1.00 14.34 C ATOM 1548 O ASN A 101 -9.701 -6.544 15.345 1.00 22.25 O ATOM 1549 CB ASN A 101 -12.710 -8.452 15.427 1.00 54.13 C ATOM 1550 CG ASN A 101 -14.189 -8.287 15.715 1.00 32.23 C ATOM 1551 OD1 ASN A 101 -14.616 -7.282 16.286 1.00 4.32 O ATOM 1552 ND2 ASN A 101 -14.980 -9.271 15.320 1.00 0.43 N ATOM 0 H ASN A 101 -12.913 -5.498 14.136 1.00 14.35 H new ATOM 0 HA ASN A 101 -12.139 -6.449 15.962 1.00 41.44 H new ATOM 0 HB2 ASN A 101 -12.581 -9.132 14.585 1.00 54.13 H new ATOM 0 HB3 ASN A 101 -12.226 -8.914 16.287 1.00 54.13 H new ATOM 0 HD21 ASN A 101 -15.985 -9.215 15.485 1.00 0.43 H new ATOM 0 HD22 ASN A 101 -14.585 -10.086 14.850 1.00 0.43 H new ATOM 1559 N GLY A 102 -10.184 -8.411 14.200 1.00 21.44 N ATOM 1560 CA GLY A 102 -8.793 -8.764 14.017 1.00 44.44 C ATOM 1561 C GLY A 102 -8.413 -8.929 12.561 1.00 63.42 C ATOM 1562 O GLY A 102 -7.307 -9.373 12.256 1.00 63.40 O ATOM 0 H GLY A 102 -10.848 -9.044 13.754 1.00 21.44 H new ATOM 0 HA2 GLY A 102 -8.166 -7.994 14.466 1.00 44.44 H new ATOM 0 HA3 GLY A 102 -8.586 -9.693 14.549 1.00 44.44 H new ATOM 1566 N ASN A 103 -9.318 -8.576 11.660 1.00 4.42 N ATOM 1567 CA ASN A 103 -9.038 -8.657 10.229 1.00 41.20 C ATOM 1568 C ASN A 103 -9.585 -7.433 9.510 1.00 21.14 C ATOM 1569 O ASN A 103 -10.550 -6.818 9.961 1.00 24.21 O ATOM 1570 CB ASN A 103 -9.614 -9.941 9.613 1.00 13.54 C ATOM 1571 CG ASN A 103 -11.107 -10.098 9.838 1.00 71.34 C ATOM 1572 OD1 ASN A 103 -11.922 -9.584 9.074 1.00 35.51 O ATOM 1573 ND2 ASN A 103 -11.472 -10.836 10.874 1.00 41.20 N ATOM 0 H ASN A 103 -10.250 -8.232 11.890 1.00 4.42 H new ATOM 0 HA ASN A 103 -7.955 -8.685 10.105 1.00 41.20 H new ATOM 0 HB2 ASN A 103 -9.413 -9.944 8.542 1.00 13.54 H new ATOM 0 HB3 ASN A 103 -9.097 -10.802 10.036 1.00 13.54 H new ATOM 0 HD21 ASN A 103 -12.462 -10.996 11.063 1.00 41.20 H new ATOM 0 HD22 ASN A 103 -10.764 -11.245 11.484 1.00 41.20 H new ATOM 1580 N VAL A 104 -8.956 -7.075 8.399 1.00 51.35 N ATOM 1581 CA VAL A 104 -9.347 -5.892 7.643 1.00 40.13 C ATOM 1582 C VAL A 104 -10.051 -6.284 6.351 1.00 73.01 C ATOM 1583 O VAL A 104 -9.566 -7.144 5.607 1.00 50.31 O ATOM 1584 CB VAL A 104 -8.122 -5.016 7.302 1.00 21.43 C ATOM 1585 CG1 VAL A 104 -8.544 -3.742 6.581 1.00 62.32 C ATOM 1586 CG2 VAL A 104 -7.336 -4.681 8.556 1.00 4.43 C ATOM 0 H VAL A 104 -8.170 -7.588 8.000 1.00 51.35 H new ATOM 0 HA VAL A 104 -10.030 -5.320 8.271 1.00 40.13 H new ATOM 0 HB VAL A 104 -7.478 -5.587 6.633 1.00 21.43 H new ATOM 0 HG11 VAL A 104 -7.662 -3.144 6.353 1.00 62.32 H new ATOM 0 HG12 VAL A 104 -9.056 -4.001 5.654 1.00 62.32 H new ATOM 0 HG13 VAL A 104 -9.216 -3.168 7.219 1.00 62.32 H new ATOM 0 HG21 VAL A 104 -6.477 -4.063 8.293 1.00 4.43 H new ATOM 0 HG22 VAL A 104 -7.975 -4.137 9.251 1.00 4.43 H new ATOM 0 HG23 VAL A 104 -6.990 -5.602 9.026 1.00 4.43 H new ATOM 1596 N GLN A 105 -11.190 -5.657 6.087 1.00 24.15 N ATOM 1597 CA GLN A 105 -11.946 -5.911 4.867 1.00 44.25 C ATOM 1598 C GLN A 105 -12.240 -4.594 4.153 1.00 73.23 C ATOM 1599 O GLN A 105 -12.727 -3.643 4.766 1.00 10.31 O ATOM 1600 CB GLN A 105 -13.252 -6.647 5.192 1.00 32.22 C ATOM 1601 CG GLN A 105 -13.041 -7.926 5.988 1.00 43.21 C ATOM 1602 CD GLN A 105 -14.331 -8.673 6.267 1.00 43.23 C ATOM 1603 OE1 GLN A 105 -15.271 -8.650 5.475 1.00 1.14 O ATOM 1604 NE2 GLN A 105 -14.380 -9.350 7.403 1.00 41.21 N ATOM 0 H GLN A 105 -11.613 -4.965 6.705 1.00 24.15 H new ATOM 0 HA GLN A 105 -11.350 -6.543 4.208 1.00 44.25 H new ATOM 0 HB2 GLN A 105 -13.906 -5.981 5.755 1.00 32.22 H new ATOM 0 HB3 GLN A 105 -13.767 -6.887 4.262 1.00 32.22 H new ATOM 0 HG2 GLN A 105 -12.361 -8.579 5.441 1.00 43.21 H new ATOM 0 HG3 GLN A 105 -12.557 -7.682 6.934 1.00 43.21 H new ATOM 0 HE21 GLN A 105 -13.579 -9.345 8.035 1.00 41.21 H new ATOM 0 HE22 GLN A 105 -15.219 -9.877 7.647 1.00 41.21 H new ATOM 1613 N ILE A 106 -11.913 -4.524 2.869 1.00 33.15 N ATOM 1614 CA ILE A 106 -12.128 -3.309 2.096 1.00 11.44 C ATOM 1615 C ILE A 106 -13.117 -3.552 0.960 1.00 31.25 C ATOM 1616 O ILE A 106 -13.301 -4.685 0.508 1.00 60.13 O ATOM 1617 CB ILE A 106 -10.805 -2.728 1.515 1.00 22.12 C ATOM 1618 CG1 ILE A 106 -10.382 -3.431 0.213 1.00 5.02 C ATOM 1619 CG2 ILE A 106 -9.687 -2.825 2.543 1.00 35.45 C ATOM 1620 CD1 ILE A 106 -9.884 -4.848 0.398 1.00 73.04 C ATOM 0 H ILE A 106 -11.499 -5.293 2.342 1.00 33.15 H new ATOM 0 HA ILE A 106 -12.540 -2.576 2.789 1.00 11.44 H new ATOM 0 HB ILE A 106 -10.992 -1.681 1.278 1.00 22.12 H new ATOM 0 HG12 ILE A 106 -11.231 -3.444 -0.470 1.00 5.02 H new ATOM 0 HG13 ILE A 106 -9.598 -2.843 -0.264 1.00 5.02 H new ATOM 0 HG21 ILE A 106 -8.769 -2.415 2.122 1.00 35.45 H new ATOM 0 HG22 ILE A 106 -9.962 -2.260 3.434 1.00 35.45 H new ATOM 0 HG23 ILE A 106 -9.528 -3.870 2.811 1.00 35.45 H new ATOM 0 HD11 ILE A 106 -9.608 -5.266 -0.570 1.00 73.04 H new ATOM 0 HD12 ILE A 106 -9.013 -4.845 1.053 1.00 73.04 H new ATOM 0 HD13 ILE A 106 -10.672 -5.455 0.844 1.00 73.04 H new ATOM 1632 N SER A 107 -13.756 -2.490 0.512 1.00 31.45 N ATOM 1633 CA SER A 107 -14.698 -2.572 -0.583 1.00 14.11 C ATOM 1634 C SER A 107 -14.006 -2.156 -1.877 1.00 44.21 C ATOM 1635 O SER A 107 -13.706 -0.980 -2.077 1.00 44.11 O ATOM 1636 CB SER A 107 -15.905 -1.670 -0.302 1.00 71.02 C ATOM 1637 OG SER A 107 -16.953 -1.901 -1.226 1.00 53.25 O ATOM 0 H SER A 107 -13.637 -1.552 0.895 1.00 31.45 H new ATOM 0 HA SER A 107 -15.053 -3.598 -0.686 1.00 14.11 H new ATOM 0 HB2 SER A 107 -16.266 -1.849 0.711 1.00 71.02 H new ATOM 0 HB3 SER A 107 -15.599 -0.625 -0.352 1.00 71.02 H new ATOM 0 HG SER A 107 -17.172 -2.856 -1.240 1.00 53.25 H new ATOM 1643 N ILE A 108 -13.722 -3.131 -2.735 1.00 31.33 N ATOM 1644 CA ILE A 108 -13.035 -2.862 -3.993 1.00 64.33 C ATOM 1645 C ILE A 108 -14.007 -2.338 -5.044 1.00 65.44 C ATOM 1646 O ILE A 108 -15.155 -2.778 -5.123 1.00 31.21 O ATOM 1647 CB ILE A 108 -12.308 -4.113 -4.536 1.00 3.53 C ATOM 1648 CG1 ILE A 108 -13.271 -5.301 -4.631 1.00 13.21 C ATOM 1649 CG2 ILE A 108 -11.112 -4.454 -3.656 1.00 53.32 C ATOM 1650 CD1 ILE A 108 -12.647 -6.543 -5.225 1.00 41.04 C ATOM 0 H ILE A 108 -13.956 -4.112 -2.583 1.00 31.33 H new ATOM 0 HA ILE A 108 -12.286 -2.099 -3.784 1.00 64.33 H new ATOM 0 HB ILE A 108 -11.945 -3.893 -5.540 1.00 3.53 H new ATOM 0 HG12 ILE A 108 -13.645 -5.534 -3.634 1.00 13.21 H new ATOM 0 HG13 ILE A 108 -14.131 -5.013 -5.235 1.00 13.21 H new ATOM 0 HG21 ILE A 108 -10.610 -5.337 -4.051 1.00 53.32 H new ATOM 0 HG22 ILE A 108 -10.416 -3.615 -3.646 1.00 53.32 H new ATOM 0 HG23 ILE A 108 -11.453 -4.654 -2.640 1.00 53.32 H new ATOM 0 HD11 ILE A 108 -13.388 -7.341 -5.260 1.00 41.04 H new ATOM 0 HD12 ILE A 108 -12.298 -6.327 -6.235 1.00 41.04 H new ATOM 0 HD13 ILE A 108 -11.804 -6.857 -4.609 1.00 41.04 H new ATOM 1662 N ALA A 109 -13.540 -1.396 -5.846 1.00 1.34 N ATOM 1663 CA ALA A 109 -14.378 -0.763 -6.850 1.00 62.21 C ATOM 1664 C ALA A 109 -13.730 -0.837 -8.224 1.00 52.21 C ATOM 1665 O ALA A 109 -14.062 -0.066 -9.128 1.00 51.31 O ATOM 1666 CB ALA A 109 -14.658 0.681 -6.462 1.00 31.45 C ATOM 0 H ALA A 109 -12.580 -1.052 -5.821 1.00 1.34 H new ATOM 0 HA ALA A 109 -15.325 -1.301 -6.899 1.00 62.21 H new ATOM 0 HB1 ALA A 109 -15.287 1.146 -7.221 1.00 31.45 H new ATOM 0 HB2 ALA A 109 -15.171 0.707 -5.500 1.00 31.45 H new ATOM 0 HB3 ALA A 109 -13.717 1.226 -6.386 1.00 31.45 H new ATOM 1672 N ASP A 110 -12.828 -1.790 -8.382 1.00 4.13 N ATOM 1673 CA ASP A 110 -12.108 -1.959 -9.636 1.00 42.24 C ATOM 1674 C ASP A 110 -11.471 -3.342 -9.688 1.00 72.10 C ATOM 1675 O ASP A 110 -11.634 -4.143 -8.765 1.00 13.40 O ATOM 1676 CB ASP A 110 -11.030 -0.880 -9.783 1.00 11.22 C ATOM 1677 CG ASP A 110 -10.779 -0.514 -11.231 1.00 5.41 C ATOM 1678 OD1 ASP A 110 -10.030 -1.241 -11.916 1.00 23.43 O ATOM 1679 OD2 ASP A 110 -11.351 0.496 -11.694 1.00 53.44 O ATOM 0 H ASP A 110 -12.575 -2.461 -7.657 1.00 4.13 H new ATOM 0 HA ASP A 110 -12.815 -1.860 -10.460 1.00 42.24 H new ATOM 0 HB2 ASP A 110 -11.333 0.011 -9.232 1.00 11.22 H new ATOM 0 HB3 ASP A 110 -10.102 -1.233 -9.333 1.00 11.22 H new ATOM 1684 N SER A 111 -10.749 -3.617 -10.762 1.00 13.25 N ATOM 1685 CA SER A 111 -10.081 -4.899 -10.931 1.00 52.30 C ATOM 1686 C SER A 111 -8.676 -4.699 -11.495 1.00 20.44 C ATOM 1687 O SER A 111 -7.922 -5.662 -11.657 1.00 65.32 O ATOM 1688 CB SER A 111 -10.895 -5.788 -11.868 1.00 32.51 C ATOM 1689 OG SER A 111 -12.252 -5.866 -11.451 1.00 73.25 O ATOM 0 H SER A 111 -10.610 -2.966 -11.535 1.00 13.25 H new ATOM 0 HA SER A 111 -10.000 -5.382 -9.957 1.00 52.30 H new ATOM 0 HB2 SER A 111 -10.846 -5.393 -12.883 1.00 32.51 H new ATOM 0 HB3 SER A 111 -10.461 -6.788 -11.893 1.00 32.51 H new ATOM 0 HG SER A 111 -12.752 -6.440 -12.069 1.00 73.25 H new ATOM 1695 N ASP A 112 -8.342 -3.437 -11.774 1.00 54.35 N ATOM 1696 CA ASP A 112 -7.076 -3.061 -12.404 1.00 42.50 C ATOM 1697 C ASP A 112 -6.944 -3.685 -13.788 1.00 53.22 C ATOM 1698 O ASP A 112 -6.540 -4.839 -13.937 1.00 51.43 O ATOM 1699 CB ASP A 112 -5.864 -3.439 -11.544 1.00 74.34 C ATOM 1700 CG ASP A 112 -4.546 -3.155 -12.248 1.00 13.34 C ATOM 1701 OD1 ASP A 112 -4.192 -1.964 -12.407 1.00 1.41 O ATOM 1702 OD2 ASP A 112 -3.868 -4.124 -12.657 1.00 24.54 O ATOM 0 H ASP A 112 -8.947 -2.642 -11.567 1.00 54.35 H new ATOM 0 HA ASP A 112 -7.090 -1.976 -12.503 1.00 42.50 H new ATOM 0 HB2 ASP A 112 -5.899 -2.884 -10.606 1.00 74.34 H new ATOM 0 HB3 ASP A 112 -5.917 -4.498 -11.290 1.00 74.34 H new ATOM 1707 N VAL A 113 -7.322 -2.924 -14.800 1.00 33.10 N ATOM 1708 CA VAL A 113 -7.148 -3.355 -16.177 1.00 32.12 C ATOM 1709 C VAL A 113 -5.931 -2.667 -16.773 1.00 53.44 C ATOM 1710 O VAL A 113 -5.920 -1.449 -16.958 1.00 33.34 O ATOM 1711 CB VAL A 113 -8.376 -3.037 -17.048 1.00 53.54 C ATOM 1712 CG1 VAL A 113 -8.251 -3.697 -18.415 1.00 1.31 C ATOM 1713 CG2 VAL A 113 -9.662 -3.462 -16.351 1.00 70.24 C ATOM 0 H VAL A 113 -7.751 -2.005 -14.695 1.00 33.10 H new ATOM 0 HA VAL A 113 -7.016 -4.437 -16.165 1.00 32.12 H new ATOM 0 HB VAL A 113 -8.418 -1.958 -17.196 1.00 53.54 H new ATOM 0 HG11 VAL A 113 -9.129 -3.460 -19.015 1.00 1.31 H new ATOM 0 HG12 VAL A 113 -7.357 -3.327 -18.917 1.00 1.31 H new ATOM 0 HG13 VAL A 113 -8.177 -4.777 -18.292 1.00 1.31 H new ATOM 0 HG21 VAL A 113 -10.515 -3.227 -16.987 1.00 70.24 H new ATOM 0 HG22 VAL A 113 -9.636 -4.535 -16.162 1.00 70.24 H new ATOM 0 HG23 VAL A 113 -9.756 -2.929 -15.405 1.00 70.24 H new ATOM 1723 N ALA A 114 -4.912 -3.444 -17.054 1.00 72.33 N ATOM 1724 CA ALA A 114 -3.668 -2.918 -17.593 1.00 21.24 C ATOM 1725 C ALA A 114 -3.137 -3.830 -18.684 1.00 64.52 C ATOM 1726 O ALA A 114 -3.498 -5.006 -18.747 1.00 23.32 O ATOM 1727 CB ALA A 114 -2.637 -2.764 -16.486 1.00 23.02 C ATOM 0 H ALA A 114 -4.915 -4.455 -16.918 1.00 72.33 H new ATOM 0 HA ALA A 114 -3.864 -1.937 -18.026 1.00 21.24 H new ATOM 0 HB1 ALA A 114 -1.711 -2.369 -16.904 1.00 23.02 H new ATOM 0 HB2 ALA A 114 -3.016 -2.077 -15.729 1.00 23.02 H new ATOM 0 HB3 ALA A 114 -2.445 -3.735 -16.030 1.00 23.02 H new ATOM 1733 N VAL A 115 -2.291 -3.284 -19.542 1.00 53.13 N ATOM 1734 CA VAL A 115 -1.675 -4.067 -20.601 1.00 53.53 C ATOM 1735 C VAL A 115 -0.431 -4.774 -20.078 1.00 32.12 C ATOM 1736 O VAL A 115 0.322 -4.213 -19.276 1.00 53.13 O ATOM 1737 CB VAL A 115 -1.309 -3.194 -21.825 1.00 35.23 C ATOM 1738 CG1 VAL A 115 -2.565 -2.636 -22.473 1.00 15.22 C ATOM 1739 CG2 VAL A 115 -0.365 -2.063 -21.438 1.00 42.12 C ATOM 0 H VAL A 115 -2.015 -2.302 -19.526 1.00 53.13 H new ATOM 0 HA VAL A 115 -2.405 -4.808 -20.927 1.00 53.53 H new ATOM 0 HB VAL A 115 -0.793 -3.829 -22.545 1.00 35.23 H new ATOM 0 HG11 VAL A 115 -2.290 -2.024 -23.332 1.00 15.22 H new ATOM 0 HG12 VAL A 115 -3.201 -3.458 -22.801 1.00 15.22 H new ATOM 0 HG13 VAL A 115 -3.106 -2.025 -21.751 1.00 15.22 H new ATOM 0 HG21 VAL A 115 -0.128 -1.469 -22.321 1.00 42.12 H new ATOM 0 HG22 VAL A 115 -0.844 -1.429 -20.692 1.00 42.12 H new ATOM 0 HG23 VAL A 115 0.553 -2.481 -21.024 1.00 42.12 H new ATOM 1749 N ASP A 116 -0.231 -6.007 -20.516 1.00 35.43 N ATOM 1750 CA ASP A 116 0.892 -6.808 -20.048 1.00 12.34 C ATOM 1751 C ASP A 116 2.198 -6.312 -20.649 1.00 13.12 C ATOM 1752 O ASP A 116 2.226 -5.798 -21.770 1.00 34.13 O ATOM 1753 CB ASP A 116 0.699 -8.291 -20.399 1.00 12.31 C ATOM 1754 CG ASP A 116 0.775 -8.574 -21.892 1.00 74.01 C ATOM 1755 OD1 ASP A 116 1.880 -8.852 -22.406 1.00 41.13 O ATOM 1756 OD2 ASP A 116 -0.280 -8.545 -22.560 1.00 72.35 O ATOM 0 H ASP A 116 -0.831 -6.476 -21.195 1.00 35.43 H new ATOM 0 HA ASP A 116 0.935 -6.705 -18.964 1.00 12.34 H new ATOM 0 HB2 ASP A 116 1.459 -8.880 -19.886 1.00 12.31 H new ATOM 0 HB3 ASP A 116 -0.269 -8.623 -20.023 1.00 12.31 H new ATOM 1761 N ASN A 117 3.277 -6.442 -19.894 1.00 75.21 N ATOM 1762 CA ASN A 117 4.595 -6.159 -20.426 1.00 4.33 C ATOM 1763 C ASN A 117 5.132 -7.405 -21.120 1.00 73.11 C ATOM 1764 O ASN A 117 5.718 -8.293 -20.501 1.00 14.13 O ATOM 1765 CB ASN A 117 5.549 -5.638 -19.333 1.00 53.23 C ATOM 1766 CG ASN A 117 5.689 -6.565 -18.138 1.00 11.42 C ATOM 1767 OD1 ASN A 117 4.842 -6.575 -17.245 1.00 55.42 O ATOM 1768 ND2 ASN A 117 6.776 -7.322 -18.094 1.00 74.03 N ATOM 0 H ASN A 117 3.264 -6.740 -18.918 1.00 75.21 H new ATOM 0 HA ASN A 117 4.522 -5.359 -21.162 1.00 4.33 H new ATOM 0 HB2 ASN A 117 6.534 -5.477 -19.772 1.00 53.23 H new ATOM 0 HB3 ASN A 117 5.192 -4.668 -18.987 1.00 53.23 H new ATOM 0 HD21 ASN A 117 6.934 -7.942 -17.300 1.00 74.03 H new ATOM 0 HD22 ASN A 117 7.455 -7.285 -18.855 1.00 74.03 H new ATOM 1775 N SER A 118 4.879 -7.469 -22.420 1.00 4.34 N ATOM 1776 CA SER A 118 5.201 -8.640 -23.223 1.00 63.32 C ATOM 1777 C SER A 118 6.707 -8.898 -23.267 1.00 31.43 C ATOM 1778 O SER A 118 7.152 -10.011 -23.556 1.00 71.23 O ATOM 1779 CB SER A 118 4.642 -8.452 -24.632 1.00 14.15 C ATOM 1780 OG SER A 118 3.258 -8.130 -24.589 1.00 25.44 O ATOM 0 H SER A 118 4.445 -6.711 -22.947 1.00 4.34 H new ATOM 0 HA SER A 118 4.742 -9.515 -22.762 1.00 63.32 H new ATOM 0 HB2 SER A 118 5.189 -7.659 -25.142 1.00 14.15 H new ATOM 0 HB3 SER A 118 4.790 -9.364 -25.211 1.00 14.15 H new ATOM 0 HG SER A 118 2.828 -8.632 -23.866 1.00 25.44 H new ATOM 1786 N GLN A 119 7.488 -7.868 -22.985 1.00 12.44 N ATOM 1787 CA GLN A 119 8.928 -8.014 -22.880 1.00 51.14 C ATOM 1788 C GLN A 119 9.402 -7.555 -21.506 1.00 65.32 C ATOM 1789 O GLN A 119 9.633 -6.368 -21.278 1.00 63.11 O ATOM 1790 CB GLN A 119 9.640 -7.231 -23.986 1.00 71.01 C ATOM 1791 CG GLN A 119 11.157 -7.337 -23.930 1.00 41.00 C ATOM 1792 CD GLN A 119 11.827 -6.742 -25.149 1.00 60.01 C ATOM 1793 OE1 GLN A 119 12.127 -5.548 -25.187 1.00 54.03 O ATOM 1794 NE2 GLN A 119 12.072 -7.572 -26.148 1.00 53.33 N ATOM 0 H GLN A 119 7.147 -6.920 -22.825 1.00 12.44 H new ATOM 0 HA GLN A 119 9.177 -9.068 -23.003 1.00 51.14 H new ATOM 0 HB2 GLN A 119 9.295 -7.592 -24.955 1.00 71.01 H new ATOM 0 HB3 GLN A 119 9.355 -6.181 -23.917 1.00 71.01 H new ATOM 0 HG2 GLN A 119 11.520 -6.830 -23.036 1.00 41.00 H new ATOM 0 HG3 GLN A 119 11.441 -8.385 -23.839 1.00 41.00 H new ATOM 0 HE21 GLN A 119 11.806 -8.554 -26.072 1.00 53.33 H new ATOM 0 HE22 GLN A 119 12.527 -7.231 -26.995 1.00 53.33 H new ATOM 1803 N PRO A 120 9.510 -8.495 -20.560 1.00 42.12 N ATOM 1804 CA PRO A 120 10.023 -8.225 -19.221 1.00 61.31 C ATOM 1805 C PRO A 120 11.546 -8.136 -19.205 1.00 74.13 C ATOM 1806 O PRO A 120 12.211 -8.514 -20.173 1.00 34.11 O ATOM 1807 CB PRO A 120 9.558 -9.437 -18.394 1.00 54.42 C ATOM 1808 CG PRO A 120 8.719 -10.268 -19.311 1.00 2.44 C ATOM 1809 CD PRO A 120 9.129 -9.900 -20.705 1.00 11.24 C ATOM 0 HA PRO A 120 9.663 -7.271 -18.835 1.00 61.31 H new ATOM 0 HB2 PRO A 120 10.411 -10.006 -18.023 1.00 54.42 H new ATOM 0 HB3 PRO A 120 8.985 -9.118 -17.523 1.00 54.42 H new ATOM 0 HG2 PRO A 120 8.877 -11.331 -19.127 1.00 2.44 H new ATOM 0 HG3 PRO A 120 7.659 -10.072 -19.153 1.00 2.44 H new ATOM 0 HD2 PRO A 120 9.959 -10.511 -21.059 1.00 11.24 H new ATOM 0 HD3 PRO A 120 8.313 -10.028 -21.416 1.00 11.24 H new ATOM 1817 N LEU A 121 12.091 -7.640 -18.107 1.00 2.33 N ATOM 1818 CA LEU A 121 13.536 -7.555 -17.951 1.00 43.40 C ATOM 1819 C LEU A 121 14.046 -8.741 -17.144 1.00 43.51 C ATOM 1820 O LEU A 121 13.413 -9.149 -16.168 1.00 11.32 O ATOM 1821 CB LEU A 121 13.933 -6.245 -17.268 1.00 71.21 C ATOM 1822 CG LEU A 121 13.598 -4.974 -18.052 1.00 53.02 C ATOM 1823 CD1 LEU A 121 14.068 -3.747 -17.293 1.00 50.30 C ATOM 1824 CD2 LEU A 121 14.232 -5.014 -19.433 1.00 63.12 C ATOM 0 H LEU A 121 11.557 -7.290 -17.311 1.00 2.33 H new ATOM 0 HA LEU A 121 13.990 -7.577 -18.942 1.00 43.40 H new ATOM 0 HB2 LEU A 121 13.439 -6.195 -16.298 1.00 71.21 H new ATOM 0 HB3 LEU A 121 15.006 -6.263 -17.078 1.00 71.21 H new ATOM 0 HG LEU A 121 12.516 -4.919 -18.171 1.00 53.02 H new ATOM 0 HD11 LEU A 121 13.823 -2.851 -17.863 1.00 50.30 H new ATOM 0 HD12 LEU A 121 13.572 -3.707 -16.323 1.00 50.30 H new ATOM 0 HD13 LEU A 121 15.147 -3.801 -17.147 1.00 50.30 H new ATOM 0 HD21 LEU A 121 13.982 -4.102 -19.975 1.00 63.12 H new ATOM 0 HD22 LEU A 121 15.315 -5.092 -19.334 1.00 63.12 H new ATOM 0 HD23 LEU A 121 13.854 -5.877 -19.982 1.00 63.12 H new ATOM 1836 N PRO A 122 15.181 -9.322 -17.558 1.00 73.52 N ATOM 1837 CA PRO A 122 15.789 -10.460 -16.862 1.00 35.14 C ATOM 1838 C PRO A 122 16.141 -10.128 -15.416 1.00 12.31 C ATOM 1839 O PRO A 122 17.018 -9.303 -15.147 1.00 22.33 O ATOM 1840 CB PRO A 122 17.058 -10.749 -17.668 1.00 63.01 C ATOM 1841 CG PRO A 122 16.814 -10.131 -19.002 1.00 65.44 C ATOM 1842 CD PRO A 122 15.961 -8.925 -18.743 1.00 24.21 C ATOM 0 HA PRO A 122 15.108 -11.310 -16.806 1.00 35.14 H new ATOM 0 HB2 PRO A 122 17.937 -10.319 -17.188 1.00 63.01 H new ATOM 0 HB3 PRO A 122 17.235 -11.821 -17.756 1.00 63.01 H new ATOM 0 HG2 PRO A 122 17.752 -9.851 -19.481 1.00 65.44 H new ATOM 0 HG3 PRO A 122 16.311 -10.830 -19.671 1.00 65.44 H new ATOM 0 HD2 PRO A 122 16.564 -8.037 -18.551 1.00 24.21 H new ATOM 0 HD3 PRO A 122 15.317 -8.696 -19.592 1.00 24.21 H new ATOM 1850 N LEU A 123 15.447 -10.771 -14.489 1.00 51.11 N ATOM 1851 CA LEU A 123 15.675 -10.541 -13.069 1.00 72.33 C ATOM 1852 C LEU A 123 16.921 -11.278 -12.586 1.00 34.31 C ATOM 1853 O LEU A 123 17.424 -11.024 -11.493 1.00 21.43 O ATOM 1854 CB LEU A 123 14.435 -10.955 -12.256 1.00 1.50 C ATOM 1855 CG LEU A 123 13.893 -12.369 -12.519 1.00 72.15 C ATOM 1856 CD1 LEU A 123 14.690 -13.421 -11.763 1.00 23.15 C ATOM 1857 CD2 LEU A 123 12.421 -12.448 -12.146 1.00 52.00 C ATOM 0 H LEU A 123 14.720 -11.457 -14.694 1.00 51.11 H new ATOM 0 HA LEU A 123 15.846 -9.475 -12.916 1.00 72.33 H new ATOM 0 HB2 LEU A 123 14.677 -10.872 -11.196 1.00 1.50 H new ATOM 0 HB3 LEU A 123 13.638 -10.239 -12.458 1.00 1.50 H new ATOM 0 HG LEU A 123 14.000 -12.575 -13.584 1.00 72.15 H new ATOM 0 HD11 LEU A 123 14.279 -14.409 -11.972 1.00 23.15 H new ATOM 0 HD12 LEU A 123 15.732 -13.386 -12.081 1.00 23.15 H new ATOM 0 HD13 LEU A 123 14.631 -13.223 -10.693 1.00 23.15 H new ATOM 0 HD21 LEU A 123 12.051 -13.455 -12.338 1.00 52.00 H new ATOM 0 HD22 LEU A 123 12.300 -12.212 -11.089 1.00 52.00 H new ATOM 0 HD23 LEU A 123 11.855 -11.734 -12.744 1.00 52.00 H new ATOM 1869 N GLU A 124 17.426 -12.172 -13.425 1.00 44.21 N ATOM 1870 CA GLU A 124 18.576 -12.994 -13.079 1.00 72.35 C ATOM 1871 C GLU A 124 19.878 -12.211 -13.201 1.00 42.43 C ATOM 1872 O GLU A 124 20.111 -11.528 -14.200 1.00 11.24 O ATOM 1873 CB GLU A 124 18.648 -14.212 -14.001 1.00 72.53 C ATOM 1874 CG GLU A 124 17.438 -15.121 -13.925 1.00 23.12 C ATOM 1875 CD GLU A 124 17.435 -16.155 -15.031 1.00 15.40 C ATOM 1876 OE1 GLU A 124 16.933 -15.843 -16.132 1.00 52.32 O ATOM 1877 OE2 GLU A 124 17.946 -17.276 -14.815 1.00 51.20 O ATOM 0 H GLU A 124 17.053 -12.347 -14.358 1.00 44.21 H new ATOM 0 HA GLU A 124 18.451 -13.311 -12.044 1.00 72.35 H new ATOM 0 HB2 GLU A 124 18.767 -13.869 -15.029 1.00 72.53 H new ATOM 0 HB3 GLU A 124 19.538 -14.790 -13.753 1.00 72.53 H new ATOM 0 HG2 GLU A 124 17.423 -15.624 -12.958 1.00 23.12 H new ATOM 0 HG3 GLU A 124 16.530 -14.522 -13.987 1.00 23.12 H new ATOM 1884 N HIS A 125 20.715 -12.306 -12.180 1.00 44.35 N ATOM 1885 CA HIS A 125 22.089 -11.839 -12.277 1.00 62.02 C ATOM 1886 C HIS A 125 22.916 -12.983 -12.844 1.00 54.51 C ATOM 1887 O HIS A 125 23.268 -13.917 -12.123 1.00 14.34 O ATOM 1888 CB HIS A 125 22.625 -11.414 -10.902 1.00 35.45 C ATOM 1889 CG HIS A 125 23.999 -10.808 -10.934 1.00 51.34 C ATOM 1890 ND1 HIS A 125 25.155 -11.548 -10.796 1.00 2.41 N ATOM 1891 CD2 HIS A 125 24.396 -9.520 -11.074 1.00 60.41 C ATOM 1892 CE1 HIS A 125 26.201 -10.743 -10.847 1.00 63.43 C ATOM 1893 NE2 HIS A 125 25.770 -9.506 -11.017 1.00 52.31 N ATOM 0 H HIS A 125 20.467 -12.703 -11.274 1.00 44.35 H new ATOM 0 HA HIS A 125 22.146 -10.964 -12.924 1.00 62.02 H new ATOM 0 HB2 HIS A 125 21.934 -10.695 -10.462 1.00 35.45 H new ATOM 0 HB3 HIS A 125 22.640 -12.284 -10.246 1.00 35.45 H new ATOM 0 HD2 HIS A 125 23.752 -8.663 -11.206 1.00 60.41 H new ATOM 0 HE1 HIS A 125 27.234 -11.045 -10.764 1.00 63.43 H new ATOM 0 HE2 HIS A 125 26.359 -8.677 -11.093 1.00 52.31 H new ATOM 1902 N HIS A 126 23.190 -12.925 -14.137 1.00 14.22 N ATOM 1903 CA HIS A 126 23.754 -14.063 -14.845 1.00 64.15 C ATOM 1904 C HIS A 126 25.216 -14.271 -14.468 1.00 13.44 C ATOM 1905 O HIS A 126 25.538 -15.125 -13.643 1.00 64.12 O ATOM 1906 CB HIS A 126 23.612 -13.869 -16.359 1.00 51.23 C ATOM 1907 CG HIS A 126 23.588 -15.154 -17.134 1.00 31.15 C ATOM 1908 ND1 HIS A 126 22.505 -15.552 -17.882 1.00 12.42 N ATOM 1909 CD2 HIS A 126 24.517 -16.128 -17.275 1.00 53.53 C ATOM 1910 CE1 HIS A 126 22.764 -16.715 -18.447 1.00 74.13 C ATOM 1911 NE2 HIS A 126 23.981 -17.088 -18.095 1.00 0.41 N ATOM 0 H HIS A 126 23.031 -12.102 -14.718 1.00 14.22 H new ATOM 0 HA HIS A 126 23.201 -14.956 -14.552 1.00 64.15 H new ATOM 0 HB2 HIS A 126 22.694 -13.317 -16.561 1.00 51.23 H new ATOM 0 HB3 HIS A 126 24.439 -13.255 -16.717 1.00 51.23 H new ATOM 0 HD2 HIS A 126 25.499 -16.146 -16.825 1.00 53.53 H new ATOM 0 HE1 HIS A 126 22.095 -17.269 -19.089 1.00 74.13 H new ATOM 0 HE2 HIS A 126 24.446 -17.948 -18.385 1.00 0.41 H new ATOM 1920 N HIS A 127 26.095 -13.475 -15.056 1.00 43.13 N ATOM 1921 CA HIS A 127 27.524 -13.626 -14.831 1.00 70.12 C ATOM 1922 C HIS A 127 28.249 -12.391 -15.342 1.00 53.33 C ATOM 1923 O HIS A 127 27.845 -11.801 -16.343 1.00 31.11 O ATOM 1924 CB HIS A 127 28.040 -14.881 -15.550 1.00 54.42 C ATOM 1925 CG HIS A 127 29.373 -15.368 -15.062 1.00 75.24 C ATOM 1926 ND1 HIS A 127 30.527 -15.302 -15.813 1.00 22.21 N ATOM 1927 CD2 HIS A 127 29.721 -15.960 -13.896 1.00 22.11 C ATOM 1928 CE1 HIS A 127 31.525 -15.833 -15.128 1.00 32.12 C ATOM 1929 NE2 HIS A 127 31.063 -16.240 -13.958 1.00 43.02 N ATOM 0 H HIS A 127 25.844 -12.718 -15.692 1.00 43.13 H new ATOM 0 HA HIS A 127 27.713 -13.736 -13.763 1.00 70.12 H new ATOM 0 HB2 HIS A 127 27.308 -15.680 -15.431 1.00 54.42 H new ATOM 0 HB3 HIS A 127 28.112 -14.671 -16.617 1.00 54.42 H new ATOM 0 HD2 HIS A 127 29.062 -16.173 -13.067 1.00 22.11 H new ATOM 0 HE1 HIS A 127 32.547 -15.920 -15.467 1.00 32.12 H new ATOM 0 HE2 HIS A 127 31.612 -16.687 -13.224 1.00 43.02 H new ATOM 1938 N HIS A 128 29.298 -11.993 -14.642 1.00 33.10 N ATOM 1939 CA HIS A 128 30.092 -10.843 -15.045 1.00 33.13 C ATOM 1940 C HIS A 128 30.810 -11.153 -16.353 1.00 50.53 C ATOM 1941 O HIS A 128 31.414 -12.218 -16.497 1.00 52.43 O ATOM 1942 CB HIS A 128 31.108 -10.499 -13.951 1.00 24.10 C ATOM 1943 CG HIS A 128 31.372 -9.033 -13.790 1.00 5.21 C ATOM 1944 ND1 HIS A 128 32.631 -8.476 -13.848 1.00 73.20 N ATOM 1945 CD2 HIS A 128 30.527 -8.010 -13.522 1.00 41.02 C ATOM 1946 CE1 HIS A 128 32.549 -7.180 -13.619 1.00 14.54 C ATOM 1947 NE2 HIS A 128 31.284 -6.871 -13.419 1.00 53.34 N ATOM 0 H HIS A 128 29.621 -12.450 -13.789 1.00 33.10 H new ATOM 0 HA HIS A 128 29.436 -9.985 -15.193 1.00 33.13 H new ATOM 0 HB2 HIS A 128 30.750 -10.898 -13.002 1.00 24.10 H new ATOM 0 HB3 HIS A 128 32.048 -11.003 -14.174 1.00 24.10 H new ATOM 0 HD1 HIS A 128 33.493 -8.987 -14.039 1.00 73.20 H new ATOM 0 HD2 HIS A 128 29.455 -8.078 -13.410 1.00 41.02 H new ATOM 0 HE1 HIS A 128 33.379 -6.489 -13.599 1.00 14.54 H new ATOM 1956 N HIS A 129 30.721 -10.241 -17.309 1.00 5.51 N ATOM 1957 CA HIS A 129 31.353 -10.440 -18.606 1.00 65.43 C ATOM 1958 C HIS A 129 32.863 -10.345 -18.468 1.00 45.54 C ATOM 1959 O HIS A 129 33.600 -11.175 -18.996 1.00 22.14 O ATOM 1960 CB HIS A 129 30.832 -9.423 -19.627 1.00 2.43 C ATOM 1961 CG HIS A 129 29.425 -9.693 -20.081 1.00 12.41 C ATOM 1962 ND1 HIS A 129 28.987 -9.431 -21.358 1.00 71.42 N ATOM 1963 CD2 HIS A 129 28.359 -10.211 -19.422 1.00 61.55 C ATOM 1964 CE1 HIS A 129 27.719 -9.775 -21.466 1.00 4.33 C ATOM 1965 NE2 HIS A 129 27.312 -10.251 -20.306 1.00 14.43 N ATOM 0 H HIS A 129 30.219 -9.358 -17.213 1.00 5.51 H new ATOM 0 HA HIS A 129 31.099 -11.436 -18.970 1.00 65.43 H new ATOM 0 HB2 HIS A 129 30.879 -8.426 -19.190 1.00 2.43 H new ATOM 0 HB3 HIS A 129 31.491 -9.422 -20.495 1.00 2.43 H new ATOM 0 HD2 HIS A 129 28.339 -10.533 -18.391 1.00 61.55 H new ATOM 0 HE1 HIS A 129 27.115 -9.682 -22.356 1.00 4.33 H new ATOM 0 HE2 HIS A 129 26.373 -10.593 -20.100 1.00 14.43 H new ATOM 1974 N HIS A 130 33.313 -9.329 -17.754 1.00 31.01 N ATOM 1975 CA HIS A 130 34.706 -9.218 -17.362 1.00 63.54 C ATOM 1976 C HIS A 130 34.797 -8.361 -16.108 1.00 25.33 C ATOM 1977 O HIS A 130 35.036 -8.932 -15.026 1.00 39.57 O ATOM 1978 CB HIS A 130 35.602 -8.681 -18.502 1.00 10.03 C ATOM 1979 CG HIS A 130 35.257 -7.311 -19.018 1.00 75.41 C ATOM 1980 ND1 HIS A 130 34.410 -7.100 -20.085 1.00 13.33 N ATOM 1981 CD2 HIS A 130 35.672 -6.082 -18.625 1.00 31.34 C ATOM 1982 CE1 HIS A 130 34.315 -5.804 -20.321 1.00 34.12 C ATOM 1983 NE2 HIS A 130 35.070 -5.167 -19.449 1.00 2.13 N ATOM 1984 OXT HIS A 130 34.545 -7.142 -16.197 1.00 39.57 O ATOM 0 H HIS A 130 32.726 -8.560 -17.431 1.00 31.01 H new ATOM 0 HA HIS A 130 35.089 -10.215 -17.143 1.00 63.54 H new ATOM 0 HB2 HIS A 130 36.634 -8.667 -18.151 1.00 10.03 H new ATOM 0 HB3 HIS A 130 35.558 -9.383 -19.334 1.00 10.03 H new ATOM 0 HD2 HIS A 130 36.351 -5.864 -17.814 1.00 31.34 H new ATOM 0 HE1 HIS A 130 33.720 -5.345 -21.096 1.00 34.12 H new ATOM 0 HE2 HIS A 130 35.188 -4.155 -19.396 1.00 2.13 H new TER 1993 HIS A 130