USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 809 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 82 SER OG : rot -52:sc= -2.58! USER MOD Set 1.2: A 84 ASN :FLIP amide:sc= -15.6! C(o=-30!,f=-18!) USER MOD Set 2.1: A 26 SER OG : rot -27:sc= -0.898! USER MOD Set 2.2: A 27 ASN : amide:sc= -1.18! C(o=-2.1!,f=-15!) USER MOD Single : A 1 ASP N :NH3+ -124:sc= 0.207 (180deg=-0.325) USER MOD Single : A 8 SER OG : rot -1:sc= 0.34! USER MOD Single : A 9 CYS SG : rot 177:sc= -4.59! USER MOD Single : A 12 ASN : amide:sc= -0.68 X(o=-0.68,f=-0.57) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -119:sc= -0.777 (180deg=-2.45!) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.507 F(o=-5.3!,f=-0.51) USER MOD Single : A 23 GLN : amide:sc= -0.0881 K(o=-0.088,f=-0.97) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -1.66! (180deg=-3.09!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -115:sc= -1.85 (180deg=-4.26!) USER MOD Single : A 36 TYR OH : rot 166:sc= -4.9! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 41 GLN : amide:sc= -0.558 K(o=-0.56,f=-7.7!) USER MOD Single : A 45 LYS NZ :NH3+ -133:sc=-0.00175 (180deg=-0.62) USER MOD Single : A 57 THR OG1 : rot -170:sc= -0.254 USER MOD Single : A 61 LYS NZ :NH3+ 136:sc= -1.16 (180deg=-1.89) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.687) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0096 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.485 USER MOD Single : A 79 HIS : no HE2:sc= -4.45 K(o=-4.5,f=-7.3!) USER MOD Single : A 83 SER OG : rot 130:sc= 0.0218 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 102 ASN : amide:sc= -0.841 K(o=-0.84,f=-1.6!) USER MOD Single : A 104 ASN : amide:sc= -0.065 X(o=-0.065,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 10.814 -12.733 -4.965 1.00 0.00 N ATOM 2 CA ASP A 1 9.454 -13.334 -5.150 1.00 0.00 C ATOM 3 C ASP A 1 8.384 -12.254 -5.287 1.00 0.00 C ATOM 4 O ASP A 1 8.092 -11.537 -4.352 1.00 0.00 O ATOM 5 CB ASP A 1 9.118 -14.218 -3.932 1.00 0.00 C ATOM 6 CG ASP A 1 10.260 -15.207 -3.693 1.00 0.00 C ATOM 7 OD1 ASP A 1 11.208 -14.794 -3.048 1.00 0.00 O ATOM 8 OD2 ASP A 1 10.116 -16.322 -4.167 1.00 0.00 O ATOM 0 H1 ASP A 1 11.455 -13.091 -5.701 1.00 0.00 H new ATOM 0 H2 ASP A 1 10.749 -11.698 -5.037 1.00 0.00 H new ATOM 0 H3 ASP A 1 11.184 -12.992 -4.028 1.00 0.00 H new ATOM 0 HA ASP A 1 9.466 -13.928 -6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 1 8.968 -13.598 -3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.186 -14.756 -4.105 1.00 0.00 H new ATOM 13 N TRP A 2 7.804 -12.167 -6.451 1.00 0.00 N ATOM 14 CA TRP A 2 6.757 -11.143 -6.658 1.00 0.00 C ATOM 15 C TRP A 2 5.425 -11.596 -6.058 1.00 0.00 C ATOM 16 O TRP A 2 4.604 -12.180 -6.733 1.00 0.00 O ATOM 17 CB TRP A 2 6.585 -10.943 -8.188 1.00 0.00 C ATOM 18 CG TRP A 2 7.456 -9.767 -8.670 1.00 0.00 C ATOM 19 CD1 TRP A 2 8.394 -9.169 -7.934 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.325 -9.174 -9.841 1.00 0.00 C ATOM 21 NE1 TRP A 2 8.815 -8.163 -8.721 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.187 -8.097 -9.947 1.00 0.00 C ATOM 23 CE3 TRP A 2 6.504 -9.495 -10.917 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.221 -7.347 -11.104 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.552 -8.740 -12.073 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.411 -7.670 -12.163 1.00 0.00 C ATOM 0 H TRP A 2 8.010 -12.756 -7.257 1.00 0.00 H new ATOM 0 HA TRP A 2 7.053 -10.215 -6.169 1.00 0.00 H new ATOM 0 HB2 TRP A 2 6.867 -11.854 -8.716 1.00 0.00 H new ATOM 0 HB3 TRP A 2 5.538 -10.750 -8.422 1.00 0.00 H new ATOM 0 HD1 TRP A 2 8.734 -9.430 -6.943 1.00 0.00 H new ATOM 0 HE1 TRP A 2 9.539 -7.504 -8.435 1.00 0.00 H new ATOM 0 HE3 TRP A 2 5.829 -10.335 -10.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 8.889 -6.501 -11.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 5.914 -8.991 -12.907 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.448 -7.083 -13.069 1.00 0.00 H new ATOM 37 N VAL A 3 5.239 -11.283 -4.789 1.00 0.00 N ATOM 38 CA VAL A 3 3.975 -11.672 -4.096 1.00 0.00 C ATOM 39 C VAL A 3 3.759 -10.814 -2.845 1.00 0.00 C ATOM 40 O VAL A 3 4.306 -11.100 -1.799 1.00 0.00 O ATOM 41 CB VAL A 3 4.088 -13.143 -3.638 1.00 0.00 C ATOM 42 CG1 VAL A 3 2.847 -13.509 -2.821 1.00 0.00 C ATOM 43 CG2 VAL A 3 4.175 -14.069 -4.853 1.00 0.00 C ATOM 0 H VAL A 3 5.910 -10.777 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 3 3.145 -11.532 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 3 4.987 -13.260 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.920 -14.546 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.780 -12.858 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.956 -13.384 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.254 -15.103 -4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.279 -13.953 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.053 -13.811 -5.445 1.00 0.00 H new ATOM 53 N ILE A 4 2.975 -9.772 -2.970 1.00 0.00 N ATOM 54 CA ILE A 4 2.734 -8.909 -1.786 1.00 0.00 C ATOM 55 C ILE A 4 1.451 -8.073 -1.942 1.00 0.00 C ATOM 56 O ILE A 4 1.479 -6.964 -2.429 1.00 0.00 O ATOM 57 CB ILE A 4 3.928 -7.965 -1.654 1.00 0.00 C ATOM 58 CG1 ILE A 4 3.743 -7.066 -0.440 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.012 -7.082 -2.913 1.00 0.00 C ATOM 60 CD1 ILE A 4 4.888 -6.053 -0.390 1.00 0.00 C ATOM 0 H ILE A 4 2.501 -9.489 -3.828 1.00 0.00 H new ATOM 0 HA ILE A 4 2.614 -9.538 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 4 4.840 -8.552 -1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.785 -6.549 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.729 -7.663 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.862 -6.405 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.139 -7.713 -3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.095 -6.502 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.763 -5.405 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.838 -6.581 -0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.880 -5.450 -1.298 1.00 0.00 H new ATOM 72 N PRO A 5 0.336 -8.643 -1.530 1.00 0.00 N ATOM 73 CA PRO A 5 -0.955 -7.953 -1.622 1.00 0.00 C ATOM 74 C PRO A 5 -1.042 -6.671 -0.749 1.00 0.00 C ATOM 75 O PRO A 5 -1.565 -5.664 -1.184 1.00 0.00 O ATOM 76 CB PRO A 5 -1.993 -8.989 -1.133 1.00 0.00 C ATOM 77 CG PRO A 5 -1.229 -10.327 -0.866 1.00 0.00 C ATOM 78 CD PRO A 5 0.273 -10.040 -1.052 1.00 0.00 C ATOM 0 HA PRO A 5 -1.121 -7.611 -2.643 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.485 -8.640 -0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.772 -9.135 -1.882 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.429 -10.690 0.142 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.560 -11.103 -1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.818 -10.162 -0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.720 -10.725 -1.773 1.00 0.00 H new ATOM 86 N PRO A 6 -0.529 -6.738 0.469 1.00 0.00 N ATOM 87 CA PRO A 6 -0.557 -5.590 1.383 1.00 0.00 C ATOM 88 C PRO A 6 0.478 -4.526 1.011 1.00 0.00 C ATOM 89 O PRO A 6 1.613 -4.837 0.706 1.00 0.00 O ATOM 90 CB PRO A 6 -0.191 -6.184 2.756 1.00 0.00 C ATOM 91 CG PRO A 6 0.281 -7.650 2.510 1.00 0.00 C ATOM 92 CD PRO A 6 0.078 -7.946 1.013 1.00 0.00 C ATOM 0 HA PRO A 6 -1.529 -5.098 1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.597 -5.600 3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.050 -6.163 3.426 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.328 -7.769 2.788 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.292 -8.347 3.122 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.026 -8.167 0.522 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.567 -8.812 0.866 1.00 0.00 H new ATOM 100 N ILE A 7 0.059 -3.284 1.042 1.00 0.00 N ATOM 101 CA ILE A 7 0.994 -2.177 0.697 1.00 0.00 C ATOM 102 C ILE A 7 0.693 -0.938 1.540 1.00 0.00 C ATOM 103 O ILE A 7 -0.303 -0.889 2.236 1.00 0.00 O ATOM 104 CB ILE A 7 0.811 -1.804 -0.787 1.00 0.00 C ATOM 105 CG1 ILE A 7 0.725 -3.054 -1.657 1.00 0.00 C ATOM 106 CG2 ILE A 7 2.032 -0.980 -1.241 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.115 -3.680 -1.783 1.00 0.00 C ATOM 0 H ILE A 7 -0.887 -2.994 1.291 1.00 0.00 H new ATOM 0 HA ILE A 7 2.013 -2.511 0.891 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.112 -1.235 -0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.030 -3.770 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.338 -2.798 -2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.918 -0.708 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.105 -0.075 -0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.938 -1.573 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.057 -4.574 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.797 -2.963 -2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.484 -3.950 -0.793 1.00 0.00 H new ATOM 119 N SER A 8 1.568 0.040 1.465 1.00 0.00 N ATOM 120 CA SER A 8 1.355 1.288 2.253 1.00 0.00 C ATOM 121 C SER A 8 1.662 2.518 1.405 1.00 0.00 C ATOM 122 O SER A 8 2.632 2.535 0.671 1.00 0.00 O ATOM 123 CB SER A 8 2.304 1.269 3.463 1.00 0.00 C ATOM 124 OG SER A 8 3.585 1.518 2.907 1.00 0.00 O ATOM 0 H SER A 8 2.414 0.024 0.895 1.00 0.00 H new ATOM 0 HA SER A 8 0.315 1.334 2.575 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.032 2.031 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.273 0.309 3.978 1.00 0.00 H new ATOM 0 HG SER A 8 3.507 1.611 1.935 1.00 0.00 H new ATOM 130 N CYS A 9 0.824 3.528 1.517 1.00 0.00 N ATOM 131 CA CYS A 9 1.058 4.767 0.717 1.00 0.00 C ATOM 132 C CYS A 9 0.749 6.042 1.549 1.00 0.00 C ATOM 133 O CYS A 9 -0.317 6.163 2.121 1.00 0.00 O ATOM 134 CB CYS A 9 0.112 4.732 -0.488 1.00 0.00 C ATOM 135 SG CYS A 9 0.569 3.657 -1.869 1.00 0.00 S ATOM 0 H CYS A 9 0.001 3.544 2.120 1.00 0.00 H new ATOM 0 HA CYS A 9 2.104 4.801 0.411 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.873 4.427 -0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.014 5.748 -0.870 1.00 0.00 H new ATOM 0 HG CYS A 9 -0.364 3.692 -2.774 1.00 0.00 H new ATOM 141 N PRO A 10 1.705 6.977 1.600 1.00 0.00 N ATOM 142 CA PRO A 10 1.523 8.226 2.357 1.00 0.00 C ATOM 143 C PRO A 10 0.441 9.151 1.767 1.00 0.00 C ATOM 144 O PRO A 10 -0.030 8.970 0.644 1.00 0.00 O ATOM 145 CB PRO A 10 2.887 8.945 2.265 1.00 0.00 C ATOM 146 CG PRO A 10 3.784 8.120 1.298 1.00 0.00 C ATOM 147 CD PRO A 10 3.024 6.831 0.958 1.00 0.00 C ATOM 0 HA PRO A 10 1.200 7.996 3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.760 9.963 1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.350 9.018 3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.999 8.689 0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.742 7.890 1.765 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.925 6.705 -0.120 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.550 5.953 1.334 1.00 0.00 H new ATOM 155 N GLU A 11 0.086 10.141 2.549 1.00 0.00 N ATOM 156 CA GLU A 11 -0.944 11.111 2.112 1.00 0.00 C ATOM 157 C GLU A 11 -0.361 12.512 2.097 1.00 0.00 C ATOM 158 O GLU A 11 0.710 12.746 2.620 1.00 0.00 O ATOM 159 CB GLU A 11 -2.126 11.087 3.109 1.00 0.00 C ATOM 160 CG GLU A 11 -1.636 10.675 4.497 1.00 0.00 C ATOM 161 CD GLU A 11 -2.328 11.538 5.556 1.00 0.00 C ATOM 162 OE1 GLU A 11 -3.539 11.653 5.455 1.00 0.00 O ATOM 163 OE2 GLU A 11 -1.607 12.035 6.404 1.00 0.00 O ATOM 0 H GLU A 11 0.473 10.313 3.477 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.283 10.839 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.591 12.072 3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.889 10.390 2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.851 9.621 4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.555 10.795 4.564 1.00 0.00 H new ATOM 170 N ASN A 12 -1.071 13.414 1.492 1.00 0.00 N ATOM 171 CA ASN A 12 -0.584 14.810 1.426 1.00 0.00 C ATOM 172 C ASN A 12 0.772 14.903 0.732 1.00 0.00 C ATOM 173 O ASN A 12 1.550 15.796 1.006 1.00 0.00 O ATOM 174 CB ASN A 12 -0.441 15.342 2.864 1.00 0.00 C ATOM 175 CG ASN A 12 -1.626 14.856 3.700 1.00 0.00 C ATOM 176 OD1 ASN A 12 -2.754 14.847 3.250 1.00 0.00 O ATOM 177 ND2 ASN A 12 -1.414 14.443 4.918 1.00 0.00 N ATOM 0 H ASN A 12 -1.969 13.244 1.040 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.299 15.399 0.852 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.495 14.995 3.302 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.406 16.431 2.860 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.193 14.114 5.488 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.469 14.448 5.301 1.00 0.00 H new ATOM 184 N GLU A 13 1.033 13.988 -0.155 1.00 0.00 N ATOM 185 CA GLU A 13 2.334 14.021 -0.868 1.00 0.00 C ATOM 186 C GLU A 13 2.354 15.139 -1.904 1.00 0.00 C ATOM 187 O GLU A 13 1.782 15.013 -2.969 1.00 0.00 O ATOM 188 CB GLU A 13 2.529 12.681 -1.588 1.00 0.00 C ATOM 189 CG GLU A 13 3.418 11.780 -0.735 1.00 0.00 C ATOM 190 CD GLU A 13 3.325 10.351 -1.263 1.00 0.00 C ATOM 191 OE1 GLU A 13 2.212 9.850 -1.276 1.00 0.00 O ATOM 192 OE2 GLU A 13 4.371 9.838 -1.624 1.00 0.00 O ATOM 0 H GLU A 13 0.408 13.225 -0.415 1.00 0.00 H new ATOM 0 HA GLU A 13 3.130 14.197 -0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.565 12.203 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.984 12.842 -2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.450 12.128 -0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.103 11.818 0.308 1.00 0.00 H new ATOM 199 N LYS A 14 3.014 16.215 -1.574 1.00 0.00 N ATOM 200 CA LYS A 14 3.082 17.349 -2.528 1.00 0.00 C ATOM 201 C LYS A 14 4.299 17.225 -3.437 1.00 0.00 C ATOM 202 O LYS A 14 5.221 16.489 -3.145 1.00 0.00 O ATOM 203 CB LYS A 14 3.191 18.651 -1.725 1.00 0.00 C ATOM 204 CG LYS A 14 4.550 18.700 -1.030 1.00 0.00 C ATOM 205 CD LYS A 14 5.509 19.558 -1.858 1.00 0.00 C ATOM 206 CE LYS A 14 6.748 19.864 -1.023 1.00 0.00 C ATOM 207 NZ LYS A 14 7.776 18.802 -1.205 1.00 0.00 N ATOM 0 H LYS A 14 3.505 16.354 -0.691 1.00 0.00 H new ATOM 0 HA LYS A 14 2.186 17.346 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.076 19.510 -2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.390 18.706 -0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.444 19.116 -0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.950 17.692 -0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.790 19.034 -2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.020 20.484 -2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.160 20.830 -1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.475 19.937 0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.613 19.026 -0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.385 17.886 -0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.049 18.751 -2.207 1.00 0.00 H new ATOM 221 N GLY A 15 4.276 17.953 -4.527 1.00 0.00 N ATOM 222 CA GLY A 15 5.423 17.899 -5.482 1.00 0.00 C ATOM 223 C GLY A 15 4.908 17.822 -6.919 1.00 0.00 C ATOM 224 O GLY A 15 3.743 18.051 -7.173 1.00 0.00 O ATOM 0 H GLY A 15 3.516 18.579 -4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.050 18.782 -5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.047 17.032 -5.264 1.00 0.00 H new ATOM 228 N GLU A 16 5.783 17.507 -7.830 1.00 0.00 N ATOM 229 CA GLU A 16 5.348 17.414 -9.245 1.00 0.00 C ATOM 230 C GLU A 16 4.673 16.077 -9.514 1.00 0.00 C ATOM 231 O GLU A 16 5.232 15.030 -9.250 1.00 0.00 O ATOM 232 CB GLU A 16 6.584 17.539 -10.149 1.00 0.00 C ATOM 233 CG GLU A 16 7.822 17.083 -9.377 1.00 0.00 C ATOM 234 CD GLU A 16 8.445 18.286 -8.670 1.00 0.00 C ATOM 235 OE1 GLU A 16 8.593 19.292 -9.343 1.00 0.00 O ATOM 236 OE2 GLU A 16 8.736 18.133 -7.496 1.00 0.00 O ATOM 0 H GLU A 16 6.769 17.312 -7.658 1.00 0.00 H new ATOM 0 HA GLU A 16 4.636 18.213 -9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.456 16.932 -11.045 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.706 18.571 -10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.550 16.319 -8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.544 16.632 -10.058 1.00 0.00 H new ATOM 243 N PHE A 17 3.480 16.140 -10.037 1.00 0.00 N ATOM 244 CA PHE A 17 2.741 14.889 -10.335 1.00 0.00 C ATOM 245 C PHE A 17 2.911 14.493 -11.804 1.00 0.00 C ATOM 246 O PHE A 17 3.139 15.334 -12.651 1.00 0.00 O ATOM 247 CB PHE A 17 1.250 15.155 -10.068 1.00 0.00 C ATOM 248 CG PHE A 17 1.040 15.367 -8.572 1.00 0.00 C ATOM 249 CD1 PHE A 17 0.932 14.286 -7.718 1.00 0.00 C ATOM 250 CD2 PHE A 17 0.957 16.646 -8.049 1.00 0.00 C ATOM 251 CE1 PHE A 17 0.745 14.480 -6.367 1.00 0.00 C ATOM 252 CE2 PHE A 17 0.770 16.836 -6.695 1.00 0.00 C ATOM 253 CZ PHE A 17 0.664 15.754 -5.857 1.00 0.00 C ATOM 0 H PHE A 17 2.989 17.003 -10.269 1.00 0.00 H new ATOM 0 HA PHE A 17 3.125 14.082 -9.712 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.920 16.034 -10.622 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.650 14.314 -10.416 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.995 13.282 -8.112 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.039 17.500 -8.705 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.662 13.629 -5.707 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.707 17.837 -6.294 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.517 15.904 -4.798 1.00 0.00 H new ATOM 263 N PRO A 18 2.793 13.207 -12.080 1.00 0.00 N ATOM 264 CA PRO A 18 2.590 12.176 -11.054 1.00 0.00 C ATOM 265 C PRO A 18 3.882 11.881 -10.290 1.00 0.00 C ATOM 266 O PRO A 18 4.902 12.498 -10.528 1.00 0.00 O ATOM 267 CB PRO A 18 2.183 10.917 -11.849 1.00 0.00 C ATOM 268 CG PRO A 18 2.384 11.241 -13.362 1.00 0.00 C ATOM 269 CD PRO A 18 2.800 12.718 -13.459 1.00 0.00 C ATOM 0 HA PRO A 18 1.850 12.491 -10.319 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.792 10.062 -11.554 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.145 10.653 -11.647 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.149 10.597 -13.795 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.464 11.063 -13.919 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.788 12.821 -13.909 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.106 13.283 -14.081 1.00 0.00 H new ATOM 277 N LYS A 19 3.808 10.940 -9.381 1.00 0.00 N ATOM 278 CA LYS A 19 5.015 10.582 -8.587 1.00 0.00 C ATOM 279 C LYS A 19 5.093 9.076 -8.383 1.00 0.00 C ATOM 280 O LYS A 19 4.107 8.436 -8.075 1.00 0.00 O ATOM 281 CB LYS A 19 4.920 11.260 -7.213 1.00 0.00 C ATOM 282 CG LYS A 19 3.464 11.613 -6.927 1.00 0.00 C ATOM 283 CD LYS A 19 3.354 12.138 -5.497 1.00 0.00 C ATOM 284 CE LYS A 19 4.118 13.459 -5.390 1.00 0.00 C ATOM 285 NZ LYS A 19 5.527 13.212 -4.971 1.00 0.00 N ATOM 0 H LYS A 19 2.966 10.409 -9.158 1.00 0.00 H new ATOM 0 HA LYS A 19 5.904 10.915 -9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.304 10.596 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.535 12.160 -7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.113 12.366 -7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.831 10.735 -7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.308 12.286 -5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.762 11.410 -4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.103 13.974 -6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.627 14.113 -4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.709 13.690 -4.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.682 12.190 -4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.175 13.584 -5.695 1.00 0.00 H new ATOM 299 N ASN A 20 6.265 8.535 -8.556 1.00 0.00 N ATOM 300 CA ASN A 20 6.431 7.072 -8.378 1.00 0.00 C ATOM 301 C ASN A 20 6.411 6.685 -6.898 1.00 0.00 C ATOM 302 O ASN A 20 6.839 7.447 -6.053 1.00 0.00 O ATOM 303 CB ASN A 20 7.785 6.677 -8.962 1.00 0.00 C ATOM 304 CG ASN A 20 7.750 6.847 -10.481 1.00 0.00 C ATOM 305 OD1 ASN A 20 6.713 7.418 -11.031 1.00 0.00 O flip ATOM 306 ND2 ASN A 20 8.666 6.462 -11.182 1.00 0.00 N flip ATOM 0 H ASN A 20 7.112 9.043 -8.812 1.00 0.00 H new ATOM 0 HA ASN A 20 5.609 6.560 -8.879 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.573 7.296 -8.533 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.017 5.643 -8.706 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.479 6.015 -10.759 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.621 6.586 -12.193 1.00 0.00 H new ATOM 313 N LEU A 21 5.907 5.495 -6.617 1.00 0.00 N ATOM 314 CA LEU A 21 5.848 5.026 -5.195 1.00 0.00 C ATOM 315 C LEU A 21 6.612 3.720 -5.016 1.00 0.00 C ATOM 316 O LEU A 21 7.612 3.677 -4.326 1.00 0.00 O ATOM 317 CB LEU A 21 4.371 4.766 -4.804 1.00 0.00 C ATOM 318 CG LEU A 21 3.660 6.083 -4.433 1.00 0.00 C ATOM 319 CD1 LEU A 21 2.301 5.741 -3.807 1.00 0.00 C ATOM 320 CD2 LEU A 21 4.495 6.863 -3.407 1.00 0.00 C ATOM 0 H LEU A 21 5.540 4.840 -7.307 1.00 0.00 H new ATOM 0 HA LEU A 21 6.295 5.797 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.850 4.288 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.330 4.076 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 21 3.532 6.692 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.783 6.661 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.700 5.183 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.454 5.136 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.984 7.791 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.622 6.260 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.472 7.092 -3.832 1.00 0.00 H new ATOM 332 N VAL A 22 6.133 2.678 -5.639 1.00 0.00 N ATOM 333 CA VAL A 22 6.832 1.368 -5.505 1.00 0.00 C ATOM 334 C VAL A 22 6.584 0.491 -6.724 1.00 0.00 C ATOM 335 O VAL A 22 5.639 0.696 -7.454 1.00 0.00 O ATOM 336 CB VAL A 22 6.281 0.649 -4.262 1.00 0.00 C ATOM 337 CG1 VAL A 22 4.981 -0.070 -4.629 1.00 0.00 C ATOM 338 CG2 VAL A 22 7.306 -0.380 -3.779 1.00 0.00 C ATOM 0 H VAL A 22 5.300 2.675 -6.227 1.00 0.00 H new ATOM 0 HA VAL A 22 7.904 1.547 -5.416 1.00 0.00 H new ATOM 0 HB VAL A 22 6.089 1.376 -3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.587 -0.581 -3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.251 0.657 -4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.178 -0.799 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.920 -0.892 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.492 -1.107 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.238 0.126 -3.525 1.00 0.00 H new ATOM 348 N GLN A 23 7.437 -0.480 -6.918 1.00 0.00 N ATOM 349 CA GLN A 23 7.261 -1.375 -8.086 1.00 0.00 C ATOM 350 C GLN A 23 6.153 -2.385 -7.845 1.00 0.00 C ATOM 351 O GLN A 23 5.851 -2.722 -6.717 1.00 0.00 O ATOM 352 CB GLN A 23 8.578 -2.132 -8.327 1.00 0.00 C ATOM 353 CG GLN A 23 8.805 -2.275 -9.836 1.00 0.00 C ATOM 354 CD GLN A 23 9.428 -3.640 -10.132 1.00 0.00 C ATOM 355 OE1 GLN A 23 10.061 -4.243 -9.287 1.00 0.00 O ATOM 356 NE2 GLN A 23 9.272 -4.164 -11.318 1.00 0.00 N ATOM 0 H GLN A 23 8.238 -0.687 -6.322 1.00 0.00 H new ATOM 0 HA GLN A 23 6.992 -0.769 -8.951 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.409 -1.595 -7.871 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.538 -3.115 -7.858 1.00 0.00 H new ATOM 0 HG2 GLN A 23 7.859 -2.172 -10.368 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.459 -1.480 -10.193 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.742 -3.663 -12.031 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.680 -5.074 -11.531 1.00 0.00 H new ATOM 365 N ILE A 24 5.562 -2.851 -8.913 1.00 0.00 N ATOM 366 CA ILE A 24 4.473 -3.839 -8.767 1.00 0.00 C ATOM 367 C ILE A 24 5.040 -5.247 -8.758 1.00 0.00 C ATOM 368 O ILE A 24 6.187 -5.452 -9.105 1.00 0.00 O ATOM 369 CB ILE A 24 3.528 -3.696 -9.959 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.618 -2.489 -9.763 1.00 0.00 C ATOM 371 CG2 ILE A 24 2.665 -4.960 -10.052 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.441 -2.866 -8.856 1.00 0.00 C ATOM 0 H ILE A 24 5.790 -2.588 -9.872 1.00 0.00 H new ATOM 0 HA ILE A 24 3.945 -3.662 -7.830 1.00 0.00 H new ATOM 0 HB ILE A 24 4.110 -3.560 -10.871 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.180 -1.666 -9.321 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.248 -2.141 -10.727 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.984 -4.874 -10.899 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.307 -5.830 -10.190 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.089 -5.076 -9.134 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.794 -1.999 -8.720 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.872 -3.674 -9.315 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.818 -3.193 -7.887 1.00 0.00 H new ATOM 384 N LYS A 25 4.226 -6.199 -8.367 1.00 0.00 N ATOM 385 CA LYS A 25 4.708 -7.600 -8.331 1.00 0.00 C ATOM 386 C LYS A 25 3.640 -8.586 -8.810 1.00 0.00 C ATOM 387 O LYS A 25 2.609 -8.748 -8.185 1.00 0.00 O ATOM 388 CB LYS A 25 5.082 -7.925 -6.882 1.00 0.00 C ATOM 389 CG LYS A 25 6.168 -6.945 -6.427 1.00 0.00 C ATOM 390 CD LYS A 25 6.959 -7.556 -5.272 1.00 0.00 C ATOM 391 CE LYS A 25 7.601 -6.429 -4.455 1.00 0.00 C ATOM 392 NZ LYS A 25 8.699 -6.962 -3.601 1.00 0.00 N ATOM 0 H LYS A 25 3.259 -6.060 -8.075 1.00 0.00 H new ATOM 0 HA LYS A 25 5.563 -7.698 -9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.206 -7.845 -6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.442 -8.951 -6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.836 -6.716 -7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.715 -6.005 -6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.301 -8.152 -4.639 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.727 -8.228 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.993 -5.664 -5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.847 -5.950 -3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.122 -6.185 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.316 -7.675 -2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.426 -7.398 -4.203 1.00 0.00 H new ATOM 406 N SER A 26 3.918 -9.225 -9.919 1.00 0.00 N ATOM 407 CA SER A 26 2.952 -10.209 -10.474 1.00 0.00 C ATOM 408 C SER A 26 3.366 -11.623 -10.100 1.00 0.00 C ATOM 409 O SER A 26 3.387 -11.979 -8.938 1.00 0.00 O ATOM 410 CB SER A 26 2.963 -10.086 -12.008 1.00 0.00 C ATOM 411 OG SER A 26 1.954 -10.986 -12.434 1.00 0.00 O ATOM 0 H SER A 26 4.774 -9.104 -10.461 1.00 0.00 H new ATOM 0 HA SER A 26 1.959 -10.008 -10.071 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.749 -9.066 -12.328 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.935 -10.352 -12.422 1.00 0.00 H new ATOM 0 HG SER A 26 1.853 -11.702 -11.772 1.00 0.00 H new ATOM 417 N ASN A 27 3.690 -12.408 -11.089 1.00 0.00 N ATOM 418 CA ASN A 27 4.104 -13.801 -10.802 1.00 0.00 C ATOM 419 C ASN A 27 4.765 -14.436 -12.022 1.00 0.00 C ATOM 420 O ASN A 27 5.826 -15.017 -11.922 1.00 0.00 O ATOM 421 CB ASN A 27 2.851 -14.617 -10.432 1.00 0.00 C ATOM 422 CG ASN A 27 1.749 -14.362 -11.467 1.00 0.00 C ATOM 423 OD1 ASN A 27 1.783 -13.398 -12.204 1.00 0.00 O ATOM 424 ND2 ASN A 27 0.754 -15.202 -11.554 1.00 0.00 N ATOM 0 H ASN A 27 3.685 -12.145 -12.074 1.00 0.00 H new ATOM 0 HA ASN A 27 4.822 -13.795 -9.982 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.093 -15.679 -10.398 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.502 -14.337 -9.438 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.013 -15.046 -12.237 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.717 -16.015 -10.939 1.00 0.00 H new ATOM 431 N ARG A 28 4.134 -14.302 -13.158 1.00 0.00 N ATOM 432 CA ARG A 28 4.721 -14.899 -14.391 1.00 0.00 C ATOM 433 C ARG A 28 5.968 -14.133 -14.822 1.00 0.00 C ATOM 434 O ARG A 28 6.537 -14.391 -15.869 1.00 0.00 O ATOM 435 CB ARG A 28 3.677 -14.816 -15.517 1.00 0.00 C ATOM 436 CG ARG A 28 2.444 -15.632 -15.124 1.00 0.00 C ATOM 437 CD ARG A 28 2.609 -17.070 -15.629 1.00 0.00 C ATOM 438 NE ARG A 28 1.349 -17.825 -15.367 1.00 0.00 N ATOM 439 CZ ARG A 28 1.283 -19.092 -15.682 1.00 0.00 C ATOM 440 NH1 ARG A 28 2.330 -19.666 -16.208 1.00 0.00 N ATOM 441 NH2 ARG A 28 0.171 -19.741 -15.463 1.00 0.00 N ATOM 0 H ARG A 28 3.249 -13.811 -13.285 1.00 0.00 H new ATOM 0 HA ARG A 28 4.997 -15.934 -14.188 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.398 -13.777 -15.695 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.098 -15.197 -16.448 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.319 -15.626 -14.041 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.546 -15.185 -15.551 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.833 -17.071 -16.696 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.448 -17.552 -15.126 1.00 0.00 H new ATOM 0 HE ARG A 28 0.547 -17.357 -14.946 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.181 -19.127 -16.367 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.297 -20.654 -16.460 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.628 -19.259 -15.052 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.102 -20.730 -15.703 1.00 0.00 H new ATOM 455 N ASP A 29 6.375 -13.209 -14.005 1.00 0.00 N ATOM 456 CA ASP A 29 7.576 -12.416 -14.345 1.00 0.00 C ATOM 457 C ASP A 29 8.831 -13.279 -14.298 1.00 0.00 C ATOM 458 O ASP A 29 9.923 -12.772 -14.136 1.00 0.00 O ATOM 459 CB ASP A 29 7.705 -11.284 -13.313 1.00 0.00 C ATOM 460 CG ASP A 29 8.542 -11.764 -12.121 1.00 0.00 C ATOM 461 OD1 ASP A 29 8.005 -12.558 -11.368 1.00 0.00 O ATOM 462 OD2 ASP A 29 9.669 -11.307 -12.033 1.00 0.00 O ATOM 0 H ASP A 29 5.928 -12.971 -13.120 1.00 0.00 H new ATOM 0 HA ASP A 29 7.473 -12.019 -15.355 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.173 -10.413 -13.771 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.717 -10.973 -12.974 1.00 0.00 H new ATOM 467 N LYS A 30 8.643 -14.571 -14.439 1.00 0.00 N ATOM 468 CA LYS A 30 9.808 -15.498 -14.410 1.00 0.00 C ATOM 469 C LYS A 30 9.857 -16.356 -15.668 1.00 0.00 C ATOM 470 O LYS A 30 10.733 -17.188 -15.809 1.00 0.00 O ATOM 471 CB LYS A 30 9.657 -16.425 -13.192 1.00 0.00 C ATOM 472 CG LYS A 30 10.068 -15.670 -11.925 1.00 0.00 C ATOM 473 CD LYS A 30 11.549 -15.938 -11.636 1.00 0.00 C ATOM 474 CE LYS A 30 11.689 -17.261 -10.874 1.00 0.00 C ATOM 475 NZ LYS A 30 11.581 -18.420 -11.807 1.00 0.00 N ATOM 0 H LYS A 30 7.735 -15.017 -14.572 1.00 0.00 H new ATOM 0 HA LYS A 30 10.725 -14.911 -14.352 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.625 -16.767 -13.107 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.277 -17.312 -13.317 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.898 -14.601 -12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.457 -15.991 -11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.111 -15.982 -12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.970 -15.122 -11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.649 -17.290 -10.359 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.915 -17.330 -10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.091 -19.234 -11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.580 -18.669 -11.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.997 -18.166 -12.726 1.00 0.00 H new ATOM 489 N GLU A 31 8.910 -16.141 -16.563 1.00 0.00 N ATOM 490 CA GLU A 31 8.892 -16.944 -17.828 1.00 0.00 C ATOM 491 C GLU A 31 9.081 -16.051 -19.048 1.00 0.00 C ATOM 492 O GLU A 31 9.732 -16.431 -20.004 1.00 0.00 O ATOM 493 CB GLU A 31 7.532 -17.654 -17.942 1.00 0.00 C ATOM 494 CG GLU A 31 6.446 -16.776 -17.324 1.00 0.00 C ATOM 495 CD GLU A 31 5.078 -17.403 -17.601 1.00 0.00 C ATOM 496 OE1 GLU A 31 4.828 -18.439 -17.007 1.00 0.00 O ATOM 497 OE2 GLU A 31 4.361 -16.812 -18.391 1.00 0.00 O ATOM 0 H GLU A 31 8.162 -15.454 -16.470 1.00 0.00 H new ATOM 0 HA GLU A 31 9.709 -17.665 -17.795 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.301 -17.854 -18.988 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.569 -18.617 -17.433 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.605 -16.681 -16.250 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.491 -15.771 -17.743 1.00 0.00 H new ATOM 504 N THR A 32 8.510 -14.880 -19.000 1.00 0.00 N ATOM 505 CA THR A 32 8.651 -13.952 -20.152 1.00 0.00 C ATOM 506 C THR A 32 8.357 -12.518 -19.727 1.00 0.00 C ATOM 507 O THR A 32 7.583 -12.288 -18.819 1.00 0.00 O ATOM 508 CB THR A 32 7.638 -14.368 -21.230 1.00 0.00 C ATOM 509 OG1 THR A 32 8.160 -13.873 -22.445 1.00 0.00 O ATOM 510 CG2 THR A 32 6.306 -13.621 -21.051 1.00 0.00 C ATOM 0 H THR A 32 7.956 -14.529 -18.219 1.00 0.00 H new ATOM 0 HA THR A 32 9.671 -14.001 -20.532 1.00 0.00 H new ATOM 0 HB THR A 32 7.480 -15.446 -21.189 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.556 -14.108 -23.180 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.607 -13.933 -21.826 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.888 -13.852 -20.071 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.478 -12.547 -21.128 1.00 0.00 H new ATOM 518 N LYS A 33 8.982 -11.575 -20.388 1.00 0.00 N ATOM 519 CA LYS A 33 8.735 -10.160 -20.020 1.00 0.00 C ATOM 520 C LYS A 33 7.243 -9.923 -19.875 1.00 0.00 C ATOM 521 O LYS A 33 6.508 -9.957 -20.843 1.00 0.00 O ATOM 522 CB LYS A 33 9.286 -9.254 -21.135 1.00 0.00 C ATOM 523 CG LYS A 33 9.323 -7.807 -20.632 1.00 0.00 C ATOM 524 CD LYS A 33 9.745 -6.884 -21.778 1.00 0.00 C ATOM 525 CE LYS A 33 11.162 -7.252 -22.226 1.00 0.00 C ATOM 526 NZ LYS A 33 11.120 -8.359 -23.220 1.00 0.00 N ATOM 0 H LYS A 33 9.640 -11.726 -21.152 1.00 0.00 H new ATOM 0 HA LYS A 33 9.229 -9.934 -19.075 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.286 -9.578 -21.423 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.659 -9.327 -22.024 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.342 -7.515 -20.257 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.022 -7.717 -19.801 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.051 -6.980 -22.613 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.712 -5.844 -21.454 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.650 -6.381 -22.663 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.757 -7.552 -21.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.578 -9.203 -22.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.131 -8.579 -23.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.622 -8.070 -24.083 1.00 0.00 H new ATOM 540 N VAL A 34 6.824 -9.683 -18.665 1.00 0.00 N ATOM 541 CA VAL A 34 5.384 -9.441 -18.418 1.00 0.00 C ATOM 542 C VAL A 34 5.061 -7.953 -18.271 1.00 0.00 C ATOM 543 O VAL A 34 5.773 -7.217 -17.617 1.00 0.00 O ATOM 544 CB VAL A 34 5.022 -10.150 -17.104 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.616 -9.371 -15.941 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.506 -10.198 -16.945 1.00 0.00 C ATOM 0 H VAL A 34 7.420 -9.645 -17.838 1.00 0.00 H new ATOM 0 HA VAL A 34 4.815 -9.818 -19.268 1.00 0.00 H new ATOM 0 HB VAL A 34 5.418 -11.165 -17.119 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.364 -9.867 -15.004 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.700 -9.327 -16.048 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.211 -8.359 -15.936 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.254 -10.702 -16.012 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.110 -9.183 -16.928 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.070 -10.744 -17.781 1.00 0.00 H new ATOM 556 N PHE A 35 3.982 -7.550 -18.892 1.00 0.00 N ATOM 557 CA PHE A 35 3.563 -6.126 -18.818 1.00 0.00 C ATOM 558 C PHE A 35 2.490 -6.006 -17.758 1.00 0.00 C ATOM 559 O PHE A 35 1.855 -6.992 -17.430 1.00 0.00 O ATOM 560 CB PHE A 35 2.981 -5.694 -20.178 1.00 0.00 C ATOM 561 CG PHE A 35 4.121 -5.333 -21.143 1.00 0.00 C ATOM 562 CD1 PHE A 35 5.406 -5.814 -20.943 1.00 0.00 C ATOM 563 CD2 PHE A 35 3.879 -4.504 -22.225 1.00 0.00 C ATOM 564 CE1 PHE A 35 6.423 -5.469 -21.808 1.00 0.00 C ATOM 565 CE2 PHE A 35 4.900 -4.162 -23.087 1.00 0.00 C ATOM 566 CZ PHE A 35 6.169 -4.645 -22.879 1.00 0.00 C ATOM 0 H PHE A 35 3.374 -8.151 -19.448 1.00 0.00 H new ATOM 0 HA PHE A 35 4.415 -5.492 -18.573 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.378 -6.499 -20.598 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.320 -4.837 -20.045 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.612 -6.463 -20.105 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.883 -4.122 -22.395 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.421 -5.847 -21.644 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.701 -3.513 -23.927 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.967 -4.378 -23.556 1.00 0.00 H new ATOM 576 N TYR A 36 2.278 -4.809 -17.253 1.00 0.00 N ATOM 577 CA TYR A 36 1.230 -4.642 -16.194 1.00 0.00 C ATOM 578 C TYR A 36 0.001 -3.866 -16.639 1.00 0.00 C ATOM 579 O TYR A 36 0.017 -3.135 -17.605 1.00 0.00 O ATOM 580 CB TYR A 36 1.867 -3.881 -15.033 1.00 0.00 C ATOM 581 CG TYR A 36 2.534 -4.885 -14.109 1.00 0.00 C ATOM 582 CD1 TYR A 36 1.775 -5.662 -13.261 1.00 0.00 C ATOM 583 CD2 TYR A 36 3.899 -5.052 -14.131 1.00 0.00 C ATOM 584 CE1 TYR A 36 2.373 -6.592 -12.448 1.00 0.00 C ATOM 585 CE2 TYR A 36 4.498 -5.982 -13.317 1.00 0.00 C ATOM 586 CZ TYR A 36 3.742 -6.761 -12.468 1.00 0.00 C ATOM 587 OH TYR A 36 4.343 -7.684 -11.641 1.00 0.00 O ATOM 0 H TYR A 36 2.774 -3.959 -17.522 1.00 0.00 H new ATOM 0 HA TYR A 36 0.887 -5.642 -15.928 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.599 -3.164 -15.406 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.111 -3.312 -14.492 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.702 -5.538 -13.236 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.503 -4.448 -14.792 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.768 -7.196 -11.788 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.571 -6.104 -13.342 1.00 0.00 H new ATOM 0 HH TYR A 36 5.264 -7.838 -11.938 1.00 0.00 H new ATOM 597 N SER A 37 -1.050 -4.061 -15.885 1.00 0.00 N ATOM 598 CA SER A 37 -2.334 -3.386 -16.169 1.00 0.00 C ATOM 599 C SER A 37 -3.000 -3.039 -14.844 1.00 0.00 C ATOM 600 O SER A 37 -2.800 -3.734 -13.862 1.00 0.00 O ATOM 601 CB SER A 37 -3.238 -4.349 -16.952 1.00 0.00 C ATOM 602 OG SER A 37 -3.367 -3.742 -18.228 1.00 0.00 O ATOM 0 H SER A 37 -1.064 -4.674 -15.070 1.00 0.00 H new ATOM 0 HA SER A 37 -2.168 -2.481 -16.753 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.794 -5.342 -17.026 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.207 -4.469 -16.468 1.00 0.00 H new ATOM 0 HG SER A 37 -3.935 -4.300 -18.800 1.00 0.00 H new ATOM 608 N ILE A 38 -3.783 -1.985 -14.825 1.00 0.00 N ATOM 609 CA ILE A 38 -4.455 -1.603 -13.548 1.00 0.00 C ATOM 610 C ILE A 38 -5.906 -1.186 -13.760 1.00 0.00 C ATOM 611 O ILE A 38 -6.257 -0.605 -14.767 1.00 0.00 O ATOM 612 CB ILE A 38 -3.676 -0.420 -12.954 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.610 0.487 -12.158 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.070 0.393 -14.112 1.00 0.00 C ATOM 615 CD1 ILE A 38 -3.786 1.339 -11.193 1.00 0.00 C ATOM 0 H ILE A 38 -3.982 -1.384 -15.625 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.461 -2.466 -12.882 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.897 -0.798 -12.291 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.177 1.128 -12.834 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.334 -0.112 -11.605 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.512 1.239 -13.710 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.399 -0.242 -14.691 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.869 0.759 -14.757 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.450 1.988 -10.623 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.239 0.689 -10.510 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.080 1.948 -11.757 1.00 0.00 H new ATOM 627 N THR A 39 -6.720 -1.501 -12.786 1.00 0.00 N ATOM 628 CA THR A 39 -8.154 -1.145 -12.876 1.00 0.00 C ATOM 629 C THR A 39 -8.782 -1.148 -11.487 1.00 0.00 C ATOM 630 O THR A 39 -8.319 -1.842 -10.599 1.00 0.00 O ATOM 631 CB THR A 39 -8.866 -2.187 -13.745 1.00 0.00 C ATOM 632 OG1 THR A 39 -10.242 -2.022 -13.470 1.00 0.00 O ATOM 633 CG2 THR A 39 -8.544 -3.610 -13.272 1.00 0.00 C ATOM 0 H THR A 39 -6.447 -1.990 -11.934 1.00 0.00 H new ATOM 0 HA THR A 39 -8.253 -0.151 -13.312 1.00 0.00 H new ATOM 0 HB THR A 39 -8.574 -2.059 -14.788 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.761 -2.663 -14.000 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.062 -4.330 -13.906 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.469 -3.779 -13.334 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.872 -3.733 -12.240 1.00 0.00 H new ATOM 641 N GLY A 40 -9.822 -0.366 -11.323 1.00 0.00 N ATOM 642 CA GLY A 40 -10.504 -0.304 -9.992 1.00 0.00 C ATOM 643 C GLY A 40 -10.552 1.140 -9.490 1.00 0.00 C ATOM 644 O GLY A 40 -10.023 2.039 -10.120 1.00 0.00 O ATOM 0 H GLY A 40 -10.226 0.228 -12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.515 -0.702 -10.075 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.973 -0.929 -9.274 1.00 0.00 H new ATOM 648 N GLN A 41 -11.188 1.335 -8.364 1.00 0.00 N ATOM 649 CA GLN A 41 -11.277 2.707 -7.815 1.00 0.00 C ATOM 650 C GLN A 41 -9.904 3.359 -7.778 1.00 0.00 C ATOM 651 O GLN A 41 -8.946 2.763 -7.325 1.00 0.00 O ATOM 652 CB GLN A 41 -11.839 2.633 -6.384 1.00 0.00 C ATOM 653 CG GLN A 41 -11.225 1.436 -5.655 1.00 0.00 C ATOM 654 CD GLN A 41 -11.235 1.708 -4.149 1.00 0.00 C ATOM 655 OE1 GLN A 41 -10.502 1.104 -3.393 1.00 0.00 O ATOM 656 NE2 GLN A 41 -12.049 2.610 -3.673 1.00 0.00 N ATOM 0 H GLN A 41 -11.643 0.608 -7.811 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.930 3.303 -8.452 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.615 3.554 -5.846 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.924 2.537 -6.413 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.789 0.530 -5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.205 1.268 -6.000 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.668 3.121 -4.302 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.066 2.804 -2.672 1.00 0.00 H new ATOM 665 N GLY A 42 -9.833 4.571 -8.262 1.00 0.00 N ATOM 666 CA GLY A 42 -8.522 5.290 -8.267 1.00 0.00 C ATOM 667 C GLY A 42 -7.929 5.282 -9.677 1.00 0.00 C ATOM 668 O GLY A 42 -7.085 6.096 -10.005 1.00 0.00 O ATOM 0 H GLY A 42 -10.619 5.092 -8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.659 6.316 -7.927 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.833 4.812 -7.571 1.00 0.00 H new ATOM 672 N ALA A 43 -8.387 4.350 -10.478 1.00 0.00 N ATOM 673 CA ALA A 43 -7.883 4.249 -11.871 1.00 0.00 C ATOM 674 C ALA A 43 -9.013 4.497 -12.854 1.00 0.00 C ATOM 675 O ALA A 43 -9.129 5.571 -13.413 1.00 0.00 O ATOM 676 CB ALA A 43 -7.345 2.827 -12.088 1.00 0.00 C ATOM 0 H ALA A 43 -9.089 3.657 -10.221 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.100 4.990 -12.030 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.969 2.732 -13.107 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.536 2.632 -11.383 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.147 2.106 -11.928 1.00 0.00 H new ATOM 682 N ASP A 44 -9.837 3.496 -13.036 1.00 0.00 N ATOM 683 CA ASP A 44 -10.976 3.636 -13.977 1.00 0.00 C ATOM 684 C ASP A 44 -12.276 3.856 -13.218 1.00 0.00 C ATOM 685 O ASP A 44 -13.226 4.388 -13.756 1.00 0.00 O ATOM 686 CB ASP A 44 -11.098 2.338 -14.785 1.00 0.00 C ATOM 687 CG ASP A 44 -11.702 1.249 -13.896 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.388 1.276 -12.718 1.00 0.00 O ATOM 689 OD2 ASP A 44 -12.443 0.451 -14.447 1.00 0.00 O ATOM 0 H ASP A 44 -9.766 2.591 -12.571 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.797 4.491 -14.628 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.726 2.499 -15.662 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.118 2.027 -15.147 1.00 0.00 H new ATOM 694 N LYS A 45 -12.294 3.438 -11.975 1.00 0.00 N ATOM 695 CA LYS A 45 -13.523 3.610 -11.157 1.00 0.00 C ATOM 696 C LYS A 45 -13.387 4.827 -10.227 1.00 0.00 C ATOM 697 O LYS A 45 -12.297 5.174 -9.807 1.00 0.00 O ATOM 698 CB LYS A 45 -13.705 2.342 -10.293 1.00 0.00 C ATOM 699 CG LYS A 45 -14.753 1.421 -10.935 1.00 0.00 C ATOM 700 CD LYS A 45 -14.310 -0.039 -10.773 1.00 0.00 C ATOM 701 CE LYS A 45 -14.247 -0.387 -9.284 1.00 0.00 C ATOM 702 NZ LYS A 45 -13.792 -1.795 -9.096 1.00 0.00 N ATOM 0 H LYS A 45 -11.512 2.988 -11.499 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.378 3.765 -11.815 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.755 1.816 -10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.018 2.619 -9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.725 1.573 -10.465 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.869 1.663 -11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.009 -0.702 -11.284 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.334 -0.188 -11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.565 0.293 -8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.229 -0.252 -8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.414 -2.273 -8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.829 -2.296 -10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.816 -1.799 -8.737 1.00 0.00 H new ATOM 716 N PRO A 46 -14.509 5.463 -9.926 1.00 0.00 N ATOM 717 CA PRO A 46 -14.511 6.631 -9.052 1.00 0.00 C ATOM 718 C PRO A 46 -13.931 6.288 -7.661 1.00 0.00 C ATOM 719 O PRO A 46 -14.344 5.324 -7.047 1.00 0.00 O ATOM 720 CB PRO A 46 -16.005 7.005 -8.899 1.00 0.00 C ATOM 721 CG PRO A 46 -16.829 5.988 -9.745 1.00 0.00 C ATOM 722 CD PRO A 46 -15.826 5.063 -10.446 1.00 0.00 C ATOM 0 HA PRO A 46 -13.904 7.437 -9.464 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.305 6.965 -7.852 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.183 8.024 -9.243 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.502 5.414 -9.108 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.448 6.508 -10.476 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.035 4.016 -10.227 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.874 5.178 -11.529 1.00 0.00 H new ATOM 730 N PRO A 47 -12.978 7.089 -7.178 1.00 0.00 N ATOM 731 CA PRO A 47 -12.423 8.249 -7.903 1.00 0.00 C ATOM 732 C PRO A 47 -11.603 7.816 -9.121 1.00 0.00 C ATOM 733 O PRO A 47 -10.622 7.115 -8.993 1.00 0.00 O ATOM 734 CB PRO A 47 -11.483 8.930 -6.885 1.00 0.00 C ATOM 735 CG PRO A 47 -11.462 8.044 -5.602 1.00 0.00 C ATOM 736 CD PRO A 47 -12.426 6.872 -5.840 1.00 0.00 C ATOM 0 HA PRO A 47 -13.218 8.898 -8.270 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.479 9.031 -7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -11.834 9.935 -6.651 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.454 7.679 -5.404 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.768 8.623 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.905 5.916 -5.780 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -13.215 6.853 -5.088 1.00 0.00 H new ATOM 744 N VAL A 48 -12.023 8.242 -10.279 1.00 0.00 N ATOM 745 CA VAL A 48 -11.282 7.866 -11.505 1.00 0.00 C ATOM 746 C VAL A 48 -10.062 8.762 -11.704 1.00 0.00 C ATOM 747 O VAL A 48 -10.178 9.970 -11.739 1.00 0.00 O ATOM 748 CB VAL A 48 -12.225 8.038 -12.705 1.00 0.00 C ATOM 749 CG1 VAL A 48 -12.628 9.509 -12.820 1.00 0.00 C ATOM 750 CG2 VAL A 48 -11.503 7.613 -13.983 1.00 0.00 C ATOM 0 H VAL A 48 -12.843 8.831 -10.425 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.941 6.835 -11.414 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.113 7.421 -12.565 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.298 9.637 -13.670 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.137 9.819 -11.907 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.737 10.120 -12.964 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.171 7.734 -14.836 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.618 8.233 -14.124 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.205 6.568 -13.902 1.00 0.00 H new ATOM 760 N GLY A 49 -8.909 8.155 -11.825 1.00 0.00 N ATOM 761 CA GLY A 49 -7.672 8.970 -12.024 1.00 0.00 C ATOM 762 C GLY A 49 -6.981 9.269 -10.686 1.00 0.00 C ATOM 763 O GLY A 49 -7.178 10.317 -10.102 1.00 0.00 O ATOM 0 H GLY A 49 -8.770 7.145 -11.795 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.984 8.437 -12.680 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.926 9.906 -12.522 1.00 0.00 H new ATOM 767 N VAL A 50 -6.188 8.338 -10.232 1.00 0.00 N ATOM 768 CA VAL A 50 -5.473 8.538 -8.943 1.00 0.00 C ATOM 769 C VAL A 50 -4.192 7.717 -8.928 1.00 0.00 C ATOM 770 O VAL A 50 -3.146 8.200 -8.509 1.00 0.00 O ATOM 771 CB VAL A 50 -6.378 8.073 -7.787 1.00 0.00 C ATOM 772 CG1 VAL A 50 -5.649 8.294 -6.460 1.00 0.00 C ATOM 773 CG2 VAL A 50 -7.670 8.893 -7.790 1.00 0.00 C ATOM 0 H VAL A 50 -6.005 7.449 -10.698 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.228 9.594 -8.828 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.614 7.016 -7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.284 7.967 -5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.723 7.720 -6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.420 9.353 -6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.311 8.565 -6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.431 9.949 -7.662 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.189 8.751 -8.738 1.00 0.00 H new ATOM 783 N PHE A 51 -4.301 6.481 -9.394 1.00 0.00 N ATOM 784 CA PHE A 51 -3.110 5.578 -9.431 1.00 0.00 C ATOM 785 C PHE A 51 -2.823 5.103 -10.856 1.00 0.00 C ATOM 786 O PHE A 51 -3.728 4.835 -11.621 1.00 0.00 O ATOM 787 CB PHE A 51 -3.398 4.325 -8.578 1.00 0.00 C ATOM 788 CG PHE A 51 -3.180 4.625 -7.097 1.00 0.00 C ATOM 789 CD1 PHE A 51 -1.918 4.935 -6.619 1.00 0.00 C ATOM 790 CD2 PHE A 51 -4.235 4.542 -6.202 1.00 0.00 C ATOM 791 CE1 PHE A 51 -1.716 5.153 -5.272 1.00 0.00 C ATOM 792 CE2 PHE A 51 -4.028 4.761 -4.858 1.00 0.00 C ATOM 793 CZ PHE A 51 -2.770 5.065 -4.395 1.00 0.00 C ATOM 0 H PHE A 51 -5.165 6.069 -9.747 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.254 6.136 -9.050 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.424 3.995 -8.741 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.747 3.508 -8.889 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.087 5.007 -7.305 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.226 4.304 -6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.729 5.393 -4.906 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.855 4.694 -4.167 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.610 5.235 -3.341 1.00 0.00 H new ATOM 803 N ILE A 52 -1.561 5.008 -11.178 1.00 0.00 N ATOM 804 CA ILE A 52 -1.168 4.550 -12.537 1.00 0.00 C ATOM 805 C ILE A 52 0.035 3.624 -12.423 1.00 0.00 C ATOM 806 O ILE A 52 0.878 3.822 -11.573 1.00 0.00 O ATOM 807 CB ILE A 52 -0.791 5.764 -13.399 1.00 0.00 C ATOM 808 CG1 ILE A 52 0.024 6.774 -12.579 1.00 0.00 C ATOM 809 CG2 ILE A 52 -2.090 6.429 -13.903 1.00 0.00 C ATOM 810 CD1 ILE A 52 -0.908 7.769 -11.869 1.00 0.00 C ATOM 0 H ILE A 52 -0.785 5.229 -10.555 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.001 4.020 -12.999 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.182 5.437 -14.242 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.632 6.248 -11.843 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.710 7.312 -13.233 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.841 7.294 -14.518 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.658 5.713 -14.497 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.689 6.750 -13.051 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.313 8.477 -11.293 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.497 8.309 -12.611 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.576 7.227 -11.200 1.00 0.00 H new ATOM 822 N ILE A 53 0.092 2.629 -13.278 1.00 0.00 N ATOM 823 CA ILE A 53 1.242 1.676 -13.226 1.00 0.00 C ATOM 824 C ILE A 53 1.975 1.598 -14.560 1.00 0.00 C ATOM 825 O ILE A 53 1.375 1.699 -15.612 1.00 0.00 O ATOM 826 CB ILE A 53 0.686 0.290 -12.899 1.00 0.00 C ATOM 827 CG1 ILE A 53 0.325 0.216 -11.422 1.00 0.00 C ATOM 828 CG2 ILE A 53 1.774 -0.755 -13.188 1.00 0.00 C ATOM 829 CD1 ILE A 53 -0.531 -1.031 -11.172 1.00 0.00 C ATOM 0 H ILE A 53 -0.601 2.439 -14.001 1.00 0.00 H new ATOM 0 HA ILE A 53 1.949 2.023 -12.472 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.201 0.101 -13.503 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.230 0.177 -10.816 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.220 1.111 -11.124 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.393 -1.750 -12.959 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.055 -0.707 -14.240 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.648 -0.551 -12.570 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.792 -1.088 -10.115 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.442 -0.972 -11.768 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.031 -1.921 -11.455 1.00 0.00 H new ATOM 841 N GLU A 54 3.268 1.422 -14.486 1.00 0.00 N ATOM 842 CA GLU A 54 4.065 1.332 -15.732 1.00 0.00 C ATOM 843 C GLU A 54 3.820 -0.001 -16.426 1.00 0.00 C ATOM 844 O GLU A 54 4.292 -1.028 -15.991 1.00 0.00 O ATOM 845 CB GLU A 54 5.548 1.438 -15.364 1.00 0.00 C ATOM 846 CG GLU A 54 6.189 2.559 -16.182 1.00 0.00 C ATOM 847 CD GLU A 54 6.324 2.105 -17.636 1.00 0.00 C ATOM 848 OE1 GLU A 54 5.317 1.657 -18.159 1.00 0.00 O ATOM 849 OE2 GLU A 54 7.427 2.231 -18.141 1.00 0.00 O ATOM 0 H GLU A 54 3.799 1.338 -13.619 1.00 0.00 H new ATOM 0 HA GLU A 54 3.774 2.137 -16.407 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.657 1.641 -14.299 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.053 0.492 -15.562 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.580 3.461 -16.125 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.168 2.809 -15.774 1.00 0.00 H new ATOM 856 N ARG A 55 3.090 0.045 -17.494 1.00 0.00 N ATOM 857 CA ARG A 55 2.797 -1.204 -18.236 1.00 0.00 C ATOM 858 C ARG A 55 4.077 -1.970 -18.573 1.00 0.00 C ATOM 859 O ARG A 55 4.034 -3.159 -18.834 1.00 0.00 O ATOM 860 CB ARG A 55 2.092 -0.816 -19.548 1.00 0.00 C ATOM 861 CG ARG A 55 1.667 -2.081 -20.296 1.00 0.00 C ATOM 862 CD ARG A 55 0.857 -1.684 -21.535 1.00 0.00 C ATOM 863 NE ARG A 55 -0.218 -0.728 -21.133 1.00 0.00 N ATOM 864 CZ ARG A 55 -1.067 -0.303 -22.033 1.00 0.00 C ATOM 865 NH1 ARG A 55 -0.630 0.443 -23.012 1.00 0.00 N ATOM 866 NH2 ARG A 55 -2.324 -0.636 -21.923 1.00 0.00 N ATOM 0 H ARG A 55 2.682 0.893 -17.888 1.00 0.00 H new ATOM 0 HA ARG A 55 2.172 -1.847 -17.616 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.220 -0.197 -19.335 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.761 -0.221 -20.170 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.545 -2.657 -20.589 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.070 -2.720 -19.645 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.509 -1.225 -22.279 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.419 -2.569 -21.997 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.289 -0.410 -20.167 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.359 0.685 -23.066 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.278 0.783 -23.722 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.631 -1.219 -21.144 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.000 -0.313 -22.616 1.00 0.00 H new ATOM 880 N GLU A 56 5.194 -1.284 -18.541 1.00 0.00 N ATOM 881 CA GLU A 56 6.483 -1.961 -18.862 1.00 0.00 C ATOM 882 C GLU A 56 7.230 -2.425 -17.609 1.00 0.00 C ATOM 883 O GLU A 56 7.344 -3.608 -17.357 1.00 0.00 O ATOM 884 CB GLU A 56 7.376 -0.956 -19.607 1.00 0.00 C ATOM 885 CG GLU A 56 6.936 -0.878 -21.070 1.00 0.00 C ATOM 886 CD GLU A 56 7.768 0.186 -21.791 1.00 0.00 C ATOM 887 OE1 GLU A 56 7.924 1.242 -21.199 1.00 0.00 O ATOM 888 OE2 GLU A 56 8.200 -0.117 -22.890 1.00 0.00 O ATOM 0 H GLU A 56 5.266 -0.294 -18.308 1.00 0.00 H new ATOM 0 HA GLU A 56 6.259 -2.842 -19.463 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.305 0.027 -19.141 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.420 -1.264 -19.545 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.065 -1.847 -21.553 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.876 -0.631 -21.131 1.00 0.00 H new ATOM 895 N THR A 57 7.725 -1.486 -16.849 1.00 0.00 N ATOM 896 CA THR A 57 8.468 -1.859 -15.613 1.00 0.00 C ATOM 897 C THR A 57 7.526 -2.217 -14.474 1.00 0.00 C ATOM 898 O THR A 57 7.908 -2.904 -13.546 1.00 0.00 O ATOM 899 CB THR A 57 9.314 -0.658 -15.183 1.00 0.00 C ATOM 900 OG1 THR A 57 8.403 0.416 -15.064 1.00 0.00 O ATOM 901 CG2 THR A 57 10.273 -0.235 -16.307 1.00 0.00 C ATOM 0 H THR A 57 7.648 -0.485 -17.029 1.00 0.00 H new ATOM 0 HA THR A 57 9.085 -2.731 -15.831 1.00 0.00 H new ATOM 0 HB THR A 57 9.872 -0.902 -14.279 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.898 1.253 -14.945 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.864 0.620 -15.979 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.938 -1.064 -16.549 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.698 0.039 -17.192 1.00 0.00 H new ATOM 909 N GLY A 58 6.318 -1.748 -14.554 1.00 0.00 N ATOM 910 CA GLY A 58 5.350 -2.064 -13.469 1.00 0.00 C ATOM 911 C GLY A 58 5.528 -1.098 -12.300 1.00 0.00 C ATOM 912 O GLY A 58 5.130 -1.387 -11.188 1.00 0.00 O ATOM 0 H GLY A 58 5.959 -1.167 -15.312 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.331 -1.999 -13.851 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.498 -3.089 -13.128 1.00 0.00 H new ATOM 916 N TRP A 59 6.132 0.031 -12.570 1.00 0.00 N ATOM 917 CA TRP A 59 6.336 1.012 -11.482 1.00 0.00 C ATOM 918 C TRP A 59 5.006 1.628 -11.069 1.00 0.00 C ATOM 919 O TRP A 59 4.334 2.252 -11.871 1.00 0.00 O ATOM 920 CB TRP A 59 7.272 2.126 -11.984 1.00 0.00 C ATOM 921 CG TRP A 59 8.665 1.927 -11.380 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.725 1.520 -12.063 1.00 0.00 C ATOM 923 CD2 TRP A 59 8.967 2.142 -10.125 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.707 1.499 -11.143 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.304 1.884 -9.877 1.00 0.00 C ATOM 926 CE3 TRP A 59 8.148 2.568 -9.098 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.817 2.052 -8.608 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.662 2.736 -7.828 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.996 2.479 -7.583 1.00 0.00 C ATOM 0 H TRP A 59 6.486 0.307 -13.486 1.00 0.00 H new ATOM 0 HA TRP A 59 6.775 0.506 -10.622 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.329 2.106 -13.072 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.877 3.102 -11.703 1.00 0.00 H new ATOM 0 HD1 TRP A 59 9.786 1.265 -13.111 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.665 1.223 -11.360 1.00 0.00 H new ATOM 0 HE3 TRP A 59 7.104 2.770 -9.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.860 1.850 -8.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 8.020 3.069 -7.026 1.00 0.00 H new ATOM 0 HH2 TRP A 59 10.398 2.612 -6.589 1.00 0.00 H new ATOM 940 N LEU A 60 4.634 1.428 -9.827 1.00 0.00 N ATOM 941 CA LEU A 60 3.348 2.000 -9.359 1.00 0.00 C ATOM 942 C LEU A 60 3.502 3.465 -9.000 1.00 0.00 C ATOM 943 O LEU A 60 4.139 3.810 -8.010 1.00 0.00 O ATOM 944 CB LEU A 60 2.874 1.239 -8.107 1.00 0.00 C ATOM 945 CG LEU A 60 1.344 1.383 -7.986 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.891 0.916 -6.603 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.952 2.852 -8.159 1.00 0.00 C ATOM 0 H LEU A 60 5.162 0.900 -9.132 1.00 0.00 H new ATOM 0 HA LEU A 60 2.622 1.905 -10.166 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.149 0.187 -8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.362 1.636 -7.217 1.00 0.00 H new ATOM 0 HG LEU A 60 0.868 0.777 -8.757 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.191 1.019 -6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.168 -0.129 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.373 1.524 -5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.130 2.952 -8.073 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.434 3.451 -7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.272 3.201 -9.141 1.00 0.00 H new ATOM 959 N LYS A 61 2.912 4.297 -9.819 1.00 0.00 N ATOM 960 CA LYS A 61 2.979 5.759 -9.589 1.00 0.00 C ATOM 961 C LYS A 61 1.595 6.297 -9.296 1.00 0.00 C ATOM 962 O LYS A 61 0.613 5.645 -9.575 1.00 0.00 O ATOM 963 CB LYS A 61 3.523 6.437 -10.860 1.00 0.00 C ATOM 964 CG LYS A 61 4.154 5.377 -11.767 1.00 0.00 C ATOM 965 CD LYS A 61 4.866 6.073 -12.933 1.00 0.00 C ATOM 966 CE LYS A 61 4.070 5.843 -14.221 1.00 0.00 C ATOM 967 NZ LYS A 61 2.785 6.595 -14.184 1.00 0.00 N ATOM 0 H LYS A 61 2.383 4.016 -10.644 1.00 0.00 H new ATOM 0 HA LYS A 61 3.632 5.965 -8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.718 6.950 -11.386 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.262 7.193 -10.595 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.862 4.772 -11.201 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.387 4.701 -12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.957 7.141 -12.734 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.878 5.682 -13.042 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.659 6.161 -15.081 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.871 4.779 -14.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.629 7.061 -15.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.003 5.937 -13.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.825 7.313 -13.433 1.00 0.00 H new ATOM 981 N VAL A 62 1.540 7.470 -8.719 1.00 0.00 N ATOM 982 CA VAL A 62 0.213 8.070 -8.396 1.00 0.00 C ATOM 983 C VAL A 62 0.113 9.503 -8.907 1.00 0.00 C ATOM 984 O VAL A 62 1.088 10.227 -8.931 1.00 0.00 O ATOM 985 CB VAL A 62 0.041 8.047 -6.852 1.00 0.00 C ATOM 986 CG1 VAL A 62 1.300 7.453 -6.225 1.00 0.00 C ATOM 987 CG2 VAL A 62 -0.157 9.470 -6.311 1.00 0.00 C ATOM 0 H VAL A 62 2.350 8.033 -8.460 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.573 7.494 -8.883 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.834 7.447 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.191 7.432 -5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.447 6.438 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.162 8.064 -6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.276 9.434 -5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.712 10.078 -6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.048 9.909 -6.759 1.00 0.00 H new ATOM 997 N THR A 63 -1.072 9.879 -9.305 1.00 0.00 N ATOM 998 CA THR A 63 -1.271 11.250 -9.815 1.00 0.00 C ATOM 999 C THR A 63 -1.764 12.161 -8.702 1.00 0.00 C ATOM 1000 O THR A 63 -1.615 13.366 -8.775 1.00 0.00 O ATOM 1001 CB THR A 63 -2.323 11.206 -10.926 1.00 0.00 C ATOM 1002 OG1 THR A 63 -2.796 9.874 -10.942 1.00 0.00 O ATOM 1003 CG2 THR A 63 -1.665 11.399 -12.299 1.00 0.00 C ATOM 0 H THR A 63 -1.905 9.291 -9.296 1.00 0.00 H new ATOM 0 HA THR A 63 -0.325 11.637 -10.194 1.00 0.00 H new ATOM 0 HB THR A 63 -3.081 11.970 -10.751 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.480 9.778 -11.637 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.428 11.365 -13.076 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.160 12.365 -12.328 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.938 10.605 -12.469 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.352 11.561 -7.684 1.00 0.00 N ATOM 1012 CA GLN A 64 -2.866 12.381 -6.543 1.00 0.00 C ATOM 1013 C GLN A 64 -2.455 11.758 -5.188 1.00 0.00 C ATOM 1014 O GLN A 64 -2.478 10.554 -5.031 1.00 0.00 O ATOM 1015 CB GLN A 64 -4.401 12.407 -6.625 1.00 0.00 C ATOM 1016 CG GLN A 64 -4.818 13.030 -7.957 1.00 0.00 C ATOM 1017 CD GLN A 64 -6.286 13.452 -7.879 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -7.027 12.988 -6.911 1.00 0.00 O flip ATOM 1019 NE2 GLN A 64 -6.771 14.207 -8.699 1.00 0.00 N flip ATOM 0 H GLN A 64 -2.494 10.554 -7.599 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.447 13.385 -6.607 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.800 11.396 -6.541 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.813 12.982 -5.795 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.191 13.893 -8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.676 12.314 -8.767 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.196 14.573 -9.458 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.753 14.475 -8.628 1.00 0.00 H new ATOM 1028 N PRO A 65 -2.088 12.605 -4.223 1.00 0.00 N ATOM 1029 CA PRO A 65 -1.679 12.124 -2.897 1.00 0.00 C ATOM 1030 C PRO A 65 -2.844 11.442 -2.187 1.00 0.00 C ATOM 1031 O PRO A 65 -3.980 11.594 -2.590 1.00 0.00 O ATOM 1032 CB PRO A 65 -1.291 13.399 -2.119 1.00 0.00 C ATOM 1033 CG PRO A 65 -1.658 14.620 -3.015 1.00 0.00 C ATOM 1034 CD PRO A 65 -2.068 14.068 -4.387 1.00 0.00 C ATOM 0 HA PRO A 65 -0.868 11.399 -2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.823 13.446 -1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.226 13.399 -1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.473 15.192 -2.571 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.809 15.296 -3.110 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.046 14.444 -4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.360 14.368 -5.160 1.00 0.00 H new ATOM 1042 N LEU A 66 -2.556 10.702 -1.138 1.00 0.00 N ATOM 1043 CA LEU A 66 -3.666 10.025 -0.421 1.00 0.00 C ATOM 1044 C LEU A 66 -4.203 10.917 0.678 1.00 0.00 C ATOM 1045 O LEU A 66 -3.563 11.865 1.072 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.129 8.725 0.193 1.00 0.00 C ATOM 1047 CG LEU A 66 -2.485 7.873 -0.911 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -2.521 6.406 -0.490 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -3.265 8.037 -2.223 1.00 0.00 C ATOM 0 H LEU A 66 -1.621 10.545 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.474 9.810 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.397 8.950 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.939 8.172 0.670 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.455 8.197 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.066 5.793 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.968 6.281 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.555 6.095 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.801 7.429 -3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.296 7.714 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.252 9.084 -2.525 1.00 0.00 H new ATOM 1061 N ASP A 67 -5.384 10.616 1.137 1.00 0.00 N ATOM 1062 CA ASP A 67 -5.971 11.452 2.214 1.00 0.00 C ATOM 1063 C ASP A 67 -6.921 10.647 3.090 1.00 0.00 C ATOM 1064 O ASP A 67 -7.978 10.235 2.649 1.00 0.00 O ATOM 1065 CB ASP A 67 -6.759 12.596 1.557 1.00 0.00 C ATOM 1066 CG ASP A 67 -7.075 13.665 2.604 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -7.070 13.301 3.768 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -7.304 14.786 2.180 1.00 0.00 O ATOM 0 H ASP A 67 -5.961 9.838 0.817 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.165 11.830 2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.179 13.030 0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.682 12.213 1.123 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.535 10.442 4.319 1.00 0.00 N ATOM 1074 CA ARG A 68 -7.409 9.667 5.228 1.00 0.00 C ATOM 1075 C ARG A 68 -8.811 10.265 5.253 1.00 0.00 C ATOM 1076 O ARG A 68 -9.779 9.576 5.505 1.00 0.00 O ATOM 1077 CB ARG A 68 -6.817 9.726 6.644 1.00 0.00 C ATOM 1078 CG ARG A 68 -5.499 8.947 6.670 1.00 0.00 C ATOM 1079 CD ARG A 68 -5.000 8.850 8.115 1.00 0.00 C ATOM 1080 NE ARG A 68 -4.370 7.514 8.322 1.00 0.00 N ATOM 1081 CZ ARG A 68 -5.085 6.534 8.808 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -5.859 5.860 8.005 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -4.997 6.262 10.081 1.00 0.00 N ATOM 0 H ARG A 68 -5.661 10.776 4.725 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.470 8.637 4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.647 10.762 6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.518 9.302 7.363 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.644 7.950 6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.755 9.446 6.049 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.279 9.642 8.318 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.829 8.987 8.810 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.389 7.366 8.086 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.900 6.101 7.015 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.424 5.092 8.367 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.378 6.810 10.678 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.547 5.501 10.479 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.892 11.545 4.990 1.00 0.00 N ATOM 1098 CA GLU A 69 -10.222 12.208 4.993 1.00 0.00 C ATOM 1099 C GLU A 69 -11.115 11.628 3.903 1.00 0.00 C ATOM 1100 O GLU A 69 -12.313 11.517 4.072 1.00 0.00 O ATOM 1101 CB GLU A 69 -10.016 13.706 4.716 1.00 0.00 C ATOM 1102 CG GLU A 69 -9.527 14.394 5.993 1.00 0.00 C ATOM 1103 CD GLU A 69 -9.191 15.855 5.681 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -10.001 16.463 5.000 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -8.144 16.280 6.141 1.00 0.00 O ATOM 0 H GLU A 69 -8.100 12.151 4.776 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.699 12.049 5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.290 13.843 3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.950 14.157 4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.295 14.342 6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.648 13.881 6.383 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.511 11.265 2.803 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.304 10.690 1.689 1.00 0.00 C ATOM 1114 C ALA A 70 -11.282 9.170 1.749 1.00 0.00 C ATOM 1115 O ALA A 70 -12.314 8.529 1.721 1.00 0.00 O ATOM 1116 CB ALA A 70 -10.674 11.142 0.361 1.00 0.00 C ATOM 0 H ALA A 70 -9.508 11.343 2.632 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.336 11.032 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.244 10.729 -0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.686 12.230 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.645 10.788 0.307 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.101 8.619 1.839 1.00 0.00 N ATOM 1123 CA ILE A 71 -9.988 7.143 1.903 1.00 0.00 C ATOM 1124 C ILE A 71 -8.807 6.726 2.773 1.00 0.00 C ATOM 1125 O ILE A 71 -7.720 7.255 2.645 1.00 0.00 O ATOM 1126 CB ILE A 71 -9.765 6.615 0.488 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.037 6.777 -0.330 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.426 5.117 0.574 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -10.763 6.349 -1.773 1.00 0.00 C ATOM 0 H ILE A 71 -9.218 9.128 1.870 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.902 6.735 2.335 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.955 7.170 0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.837 6.172 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.372 7.814 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.263 4.723 -0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.522 4.982 1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.252 4.583 1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.671 6.463 -2.365 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -9.975 6.973 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.448 5.306 -1.789 1.00 0.00 H new ATOM 1141 N ALA A 72 -9.044 5.783 3.643 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.951 5.313 4.532 1.00 0.00 C ATOM 1143 C ALA A 72 -7.199 4.149 3.895 1.00 0.00 C ATOM 1144 O ALA A 72 -6.042 3.919 4.186 1.00 0.00 O ATOM 1145 CB ALA A 72 -8.580 4.832 5.849 1.00 0.00 C ATOM 0 H ALA A 72 -9.944 5.321 3.775 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.250 6.130 4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.796 4.481 6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.117 5.656 6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.274 4.017 5.644 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.876 3.437 3.036 1.00 0.00 N ATOM 1152 CA LYS A 73 -7.230 2.283 2.362 1.00 0.00 C ATOM 1153 C LYS A 73 -7.731 2.160 0.929 1.00 0.00 C ATOM 1154 O LYS A 73 -8.921 2.080 0.691 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.602 1.008 3.135 1.00 0.00 C ATOM 1156 CG LYS A 73 -7.257 -0.215 2.286 1.00 0.00 C ATOM 1157 CD LYS A 73 -7.240 -1.457 3.181 1.00 0.00 C ATOM 1158 CE LYS A 73 -5.886 -1.545 3.888 1.00 0.00 C ATOM 1159 NZ LYS A 73 -5.733 -2.866 4.562 1.00 0.00 N ATOM 0 H LYS A 73 -8.847 3.607 2.774 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.150 2.426 2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.063 0.972 4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.665 1.011 3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.989 -0.337 1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.285 -0.081 1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.045 -1.403 3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.412 -2.353 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.082 -1.404 3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.800 -0.744 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.337 -2.726 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.662 -3.327 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.093 -3.468 4.005 1.00 0.00 H new ATOM 1173 N TYR A 74 -6.813 2.144 -0.003 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.214 2.031 -1.429 1.00 0.00 C ATOM 1175 C TYR A 74 -7.075 0.604 -1.949 1.00 0.00 C ATOM 1176 O TYR A 74 -6.189 -0.128 -1.545 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.279 2.924 -2.259 1.00 0.00 C ATOM 1178 CG TYR A 74 -6.508 4.392 -1.899 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.170 4.866 -0.650 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.036 5.270 -2.826 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -6.355 6.196 -0.332 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.220 6.599 -2.506 1.00 0.00 C ATOM 1183 CZ TYR A 74 -6.879 7.071 -1.256 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.053 8.403 -0.935 1.00 0.00 O ATOM 0 H TYR A 74 -5.809 2.204 0.165 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.259 2.331 -1.514 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.240 2.652 -2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.462 2.768 -3.322 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.757 4.191 0.086 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.307 4.913 -3.809 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.086 6.554 0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.634 7.275 -3.240 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.433 8.878 -1.704 1.00 0.00 H new ATOM 1194 N ILE A 75 -7.969 0.243 -2.840 1.00 0.00 N ATOM 1195 CA ILE A 75 -7.937 -1.125 -3.428 1.00 0.00 C ATOM 1196 C ILE A 75 -7.590 -1.017 -4.903 1.00 0.00 C ATOM 1197 O ILE A 75 -8.079 -0.135 -5.582 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.324 -1.757 -3.293 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -9.725 -1.815 -1.826 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.264 -3.193 -3.845 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -11.250 -1.865 -1.725 1.00 0.00 C ATOM 0 H ILE A 75 -8.720 0.842 -3.183 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.196 -1.735 -2.911 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.052 -1.162 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.288 -2.693 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.342 -0.943 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.246 -3.658 -3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.968 -3.168 -4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.536 -3.771 -3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.544 -1.907 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.675 -0.973 -2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.620 -2.751 -2.241 1.00 0.00 H new ATOM 1213 N LEU A 76 -6.755 -1.904 -5.381 1.00 0.00 N ATOM 1214 CA LEU A 76 -6.378 -1.839 -6.823 1.00 0.00 C ATOM 1215 C LEU A 76 -6.283 -3.221 -7.453 1.00 0.00 C ATOM 1216 O LEU A 76 -5.602 -4.082 -6.951 1.00 0.00 O ATOM 1217 CB LEU A 76 -4.992 -1.173 -6.909 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.059 0.026 -7.855 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.024 1.064 -7.285 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -3.665 0.645 -7.973 1.00 0.00 C ATOM 0 H LEU A 76 -6.325 -2.658 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.144 -1.279 -7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.670 -0.851 -5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.254 -1.891 -7.266 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.406 -0.296 -8.837 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.075 1.921 -7.957 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.015 0.622 -7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.671 1.390 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.703 1.501 -8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.327 0.971 -6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.970 -0.096 -8.368 1.00 0.00 H new ATOM 1232 N TYR A 77 -6.963 -3.399 -8.559 1.00 0.00 N ATOM 1233 CA TYR A 77 -6.923 -4.715 -9.241 1.00 0.00 C ATOM 1234 C TYR A 77 -5.918 -4.635 -10.377 1.00 0.00 C ATOM 1235 O TYR A 77 -5.974 -3.716 -11.179 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.318 -5.025 -9.812 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.220 -5.544 -8.687 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -9.977 -4.669 -7.932 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -9.288 -6.894 -8.411 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -10.789 -5.139 -6.918 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -10.099 -7.364 -7.398 1.00 0.00 C ATOM 1242 CZ TYR A 77 -10.856 -6.490 -6.644 1.00 0.00 C ATOM 1243 OH TYR A 77 -11.665 -6.960 -5.631 1.00 0.00 O ATOM 0 H TYR A 77 -7.539 -2.690 -9.012 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.634 -5.499 -8.541 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.750 -4.128 -10.256 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.242 -5.768 -10.606 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.934 -3.609 -8.136 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.701 -7.589 -8.993 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.376 -4.444 -6.335 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.142 -8.424 -7.194 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.590 -7.936 -5.579 1.00 0.00 H new ATOM 1253 N SER A 78 -5.014 -5.591 -10.431 1.00 0.00 N ATOM 1254 CA SER A 78 -3.989 -5.566 -11.523 1.00 0.00 C ATOM 1255 C SER A 78 -4.060 -6.788 -12.427 1.00 0.00 C ATOM 1256 O SER A 78 -4.594 -7.822 -12.060 1.00 0.00 O ATOM 1257 CB SER A 78 -2.601 -5.538 -10.870 1.00 0.00 C ATOM 1258 OG SER A 78 -2.355 -6.891 -10.521 1.00 0.00 O ATOM 0 H SER A 78 -4.944 -6.372 -9.779 1.00 0.00 H new ATOM 0 HA SER A 78 -4.180 -4.687 -12.138 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.845 -5.160 -11.558 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.586 -4.891 -9.993 1.00 0.00 H new ATOM 0 HG SER A 78 -1.476 -6.964 -10.094 1.00 0.00 H new ATOM 1264 N HIS A 79 -3.505 -6.630 -13.603 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.498 -7.741 -14.587 1.00 0.00 C ATOM 1266 C HIS A 79 -2.143 -7.777 -15.309 1.00 0.00 C ATOM 1267 O HIS A 79 -1.544 -6.744 -15.535 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.612 -7.478 -15.617 1.00 0.00 C ATOM 1269 CG HIS A 79 -5.928 -7.209 -14.881 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -6.848 -8.042 -14.731 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.368 -6.057 -14.259 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -7.820 -7.548 -14.081 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.605 -6.278 -13.734 1.00 0.00 N ATOM 0 H HIS A 79 -3.055 -5.771 -13.920 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.662 -8.693 -14.081 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.351 -6.624 -16.243 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.721 -8.337 -16.279 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -6.821 -8.998 -15.086 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.819 -5.129 -14.199 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.719 -8.094 -13.837 1.00 0.00 H new ATOM 1281 N ALA A 80 -1.686 -8.965 -15.656 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.365 -9.078 -16.365 1.00 0.00 C ATOM 1283 C ALA A 80 -0.506 -9.646 -17.785 1.00 0.00 C ATOM 1284 O ALA A 80 -1.327 -10.502 -18.039 1.00 0.00 O ATOM 1285 CB ALA A 80 0.529 -10.028 -15.551 1.00 0.00 C ATOM 0 H ALA A 80 -2.164 -9.849 -15.481 1.00 0.00 H new ATOM 0 HA ALA A 80 0.061 -8.078 -16.449 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.496 -10.129 -16.043 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.672 -9.623 -14.549 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.053 -11.006 -15.483 1.00 0.00 H new ATOM 1291 N VAL A 81 0.306 -9.144 -18.690 1.00 0.00 N ATOM 1292 CA VAL A 81 0.238 -9.643 -20.102 1.00 0.00 C ATOM 1293 C VAL A 81 1.640 -9.758 -20.698 1.00 0.00 C ATOM 1294 O VAL A 81 2.420 -8.848 -20.614 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.580 -8.652 -20.936 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -2.036 -9.123 -20.997 1.00 0.00 C ATOM 1297 CG2 VAL A 81 -0.524 -7.277 -20.274 1.00 0.00 C ATOM 0 H VAL A 81 1.003 -8.420 -18.514 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.229 -10.628 -20.110 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.171 -8.594 -21.945 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.621 -8.420 -21.590 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.080 -10.110 -21.457 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.444 -9.174 -19.988 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.104 -6.566 -20.862 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.939 -7.340 -19.268 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.512 -6.942 -20.218 1.00 0.00 H new ATOM 1307 N SER A 82 1.922 -10.868 -21.317 1.00 0.00 N ATOM 1308 CA SER A 82 3.278 -11.042 -21.916 1.00 0.00 C ATOM 1309 C SER A 82 3.543 -10.030 -23.027 1.00 0.00 C ATOM 1310 O SER A 82 2.715 -9.813 -23.889 1.00 0.00 O ATOM 1311 CB SER A 82 3.375 -12.450 -22.506 1.00 0.00 C ATOM 1312 OG SER A 82 2.508 -12.410 -23.629 1.00 0.00 O ATOM 0 H SER A 82 1.284 -11.655 -21.435 1.00 0.00 H new ATOM 0 HA SER A 82 4.018 -10.887 -21.131 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.397 -12.691 -22.799 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.062 -13.207 -21.787 1.00 0.00 H new ATOM 0 HG SER A 82 1.628 -12.079 -23.351 1.00 0.00 H new ATOM 1318 N SER A 83 4.710 -9.436 -22.989 1.00 0.00 N ATOM 1319 CA SER A 83 5.060 -8.434 -24.027 1.00 0.00 C ATOM 1320 C SER A 83 5.057 -9.059 -25.417 1.00 0.00 C ATOM 1321 O SER A 83 5.427 -8.422 -26.385 1.00 0.00 O ATOM 1322 CB SER A 83 6.474 -7.908 -23.732 1.00 0.00 C ATOM 1323 OG SER A 83 6.537 -6.673 -24.432 1.00 0.00 O ATOM 0 H SER A 83 5.429 -9.604 -22.285 1.00 0.00 H new ATOM 0 HA SER A 83 4.323 -7.631 -24.004 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.633 -7.769 -22.663 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.238 -8.603 -24.080 1.00 0.00 H new ATOM 0 HG SER A 83 6.867 -5.973 -23.831 1.00 0.00 H new ATOM 1329 N ASN A 84 4.637 -10.297 -25.492 1.00 0.00 N ATOM 1330 CA ASN A 84 4.604 -10.979 -26.815 1.00 0.00 C ATOM 1331 C ASN A 84 3.213 -10.898 -27.412 1.00 0.00 C ATOM 1332 O ASN A 84 3.034 -11.073 -28.601 1.00 0.00 O ATOM 1333 CB ASN A 84 4.974 -12.463 -26.620 1.00 0.00 C ATOM 1334 CG ASN A 84 3.848 -13.184 -25.876 1.00 0.00 C ATOM 1335 OD1 ASN A 84 2.639 -13.152 -26.365 1.00 0.00 O flip ATOM 1336 ND2 ASN A 84 4.064 -13.794 -24.850 1.00 0.00 N flip ATOM 0 H ASN A 84 4.319 -10.858 -24.701 1.00 0.00 H new ATOM 0 HA ASN A 84 5.312 -10.492 -27.486 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.144 -12.935 -27.588 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.904 -12.545 -26.058 1.00 0.00 H new ATOM 0 HD21 ASN A 84 5.007 -13.823 -24.463 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.302 -14.278 -24.375 1.00 0.00 H new ATOM 1343 N GLY A 85 2.256 -10.629 -26.563 1.00 0.00 N ATOM 1344 CA GLY A 85 0.847 -10.524 -27.036 1.00 0.00 C ATOM 1345 C GLY A 85 0.000 -11.617 -26.390 1.00 0.00 C ATOM 1346 O GLY A 85 -1.179 -11.730 -26.662 1.00 0.00 O ATOM 0 H GLY A 85 2.391 -10.478 -25.563 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.443 -9.543 -26.787 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.811 -10.617 -28.121 1.00 0.00 H new ATOM 1350 N GLU A 86 0.617 -12.390 -25.527 1.00 0.00 N ATOM 1351 CA GLU A 86 -0.135 -13.477 -24.854 1.00 0.00 C ATOM 1352 C GLU A 86 -0.588 -13.042 -23.473 1.00 0.00 C ATOM 1353 O GLU A 86 0.190 -12.541 -22.682 1.00 0.00 O ATOM 1354 CB GLU A 86 0.783 -14.707 -24.708 1.00 0.00 C ATOM 1355 CG GLU A 86 0.855 -15.453 -26.045 1.00 0.00 C ATOM 1356 CD GLU A 86 1.977 -16.493 -25.982 1.00 0.00 C ATOM 1357 OE1 GLU A 86 3.096 -16.101 -26.269 1.00 0.00 O ATOM 1358 OE2 GLU A 86 1.652 -17.622 -25.648 1.00 0.00 O ATOM 0 H GLU A 86 1.600 -12.310 -25.267 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.012 -13.719 -25.455 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.781 -14.395 -24.399 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.401 -15.369 -23.930 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.097 -15.940 -26.255 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.039 -14.750 -26.858 1.00 0.00 H new ATOM 1365 N ALA A 87 -1.849 -13.241 -23.215 1.00 0.00 N ATOM 1366 CA ALA A 87 -2.407 -12.857 -21.902 1.00 0.00 C ATOM 1367 C ALA A 87 -1.908 -13.771 -20.788 1.00 0.00 C ATOM 1368 O ALA A 87 -1.984 -14.981 -20.888 1.00 0.00 O ATOM 1369 CB ALA A 87 -3.938 -12.974 -21.987 1.00 0.00 C ATOM 0 H ALA A 87 -2.517 -13.656 -23.865 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.091 -11.840 -21.670 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.378 -12.696 -21.029 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.311 -12.308 -22.765 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.212 -14.001 -22.227 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.403 -13.165 -19.747 1.00 0.00 N ATOM 1376 CA VAL A 88 -0.888 -13.955 -18.598 1.00 0.00 C ATOM 1377 C VAL A 88 -1.342 -13.285 -17.315 1.00 0.00 C ATOM 1378 O VAL A 88 -0.751 -13.449 -16.268 1.00 0.00 O ATOM 1379 CB VAL A 88 0.668 -13.975 -18.648 1.00 0.00 C ATOM 1380 CG1 VAL A 88 1.136 -13.935 -20.103 1.00 0.00 C ATOM 1381 CG2 VAL A 88 1.237 -12.749 -17.919 1.00 0.00 C ATOM 0 H VAL A 88 -1.326 -12.153 -19.645 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.264 -14.977 -18.641 1.00 0.00 H new ATOM 0 HB VAL A 88 1.019 -14.886 -18.164 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.225 -13.949 -20.135 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.746 -14.803 -20.635 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.771 -13.024 -20.578 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.326 -12.774 -17.961 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.876 -11.840 -18.400 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.913 -12.762 -16.878 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.407 -12.547 -17.436 1.00 0.00 N ATOM 1392 CA GLU A 89 -2.953 -11.833 -16.266 1.00 0.00 C ATOM 1393 C GLU A 89 -3.779 -12.727 -15.364 1.00 0.00 C ATOM 1394 O GLU A 89 -4.123 -13.841 -15.709 1.00 0.00 O ATOM 1395 CB GLU A 89 -3.863 -10.712 -16.786 1.00 0.00 C ATOM 1396 CG GLU A 89 -4.489 -11.152 -18.109 1.00 0.00 C ATOM 1397 CD GLU A 89 -5.029 -12.577 -17.965 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -5.942 -12.733 -17.171 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -4.497 -13.430 -18.656 1.00 0.00 O ATOM 0 H GLU A 89 -2.923 -12.410 -18.305 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.114 -11.458 -15.680 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.642 -10.491 -16.056 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.289 -9.796 -16.927 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.294 -10.472 -18.387 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.747 -11.111 -18.907 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.079 -12.198 -14.214 1.00 0.00 N ATOM 1407 CA ASP A 90 -4.879 -12.942 -13.231 1.00 0.00 C ATOM 1408 C ASP A 90 -5.505 -11.947 -12.249 1.00 0.00 C ATOM 1409 O ASP A 90 -4.880 -10.974 -11.875 1.00 0.00 O ATOM 1410 CB ASP A 90 -3.942 -13.881 -12.457 1.00 0.00 C ATOM 1411 CG ASP A 90 -3.664 -15.126 -13.302 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -4.565 -15.947 -13.366 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -2.569 -15.184 -13.835 1.00 0.00 O ATOM 0 H ASP A 90 -3.794 -11.265 -13.917 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.661 -13.513 -13.731 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.008 -13.370 -12.223 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.396 -14.165 -11.508 1.00 0.00 H new ATOM 1418 N PRO A 91 -6.733 -12.197 -11.844 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.405 -11.306 -10.915 1.00 0.00 C ATOM 1420 C PRO A 91 -6.565 -11.106 -9.651 1.00 0.00 C ATOM 1421 O PRO A 91 -6.682 -11.852 -8.696 1.00 0.00 O ATOM 1422 CB PRO A 91 -8.745 -12.014 -10.580 1.00 0.00 C ATOM 1423 CG PRO A 91 -8.783 -13.340 -11.404 1.00 0.00 C ATOM 1424 CD PRO A 91 -7.503 -13.380 -12.257 1.00 0.00 C ATOM 0 HA PRO A 91 -7.562 -10.314 -11.339 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -8.814 -12.222 -9.512 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.592 -11.377 -10.836 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -8.831 -14.204 -10.741 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.669 -13.374 -12.038 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.941 -14.297 -12.082 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.737 -13.347 -13.321 1.00 0.00 H new ATOM 1432 N MET A 92 -5.717 -10.097 -9.679 1.00 0.00 N ATOM 1433 CA MET A 92 -4.855 -9.823 -8.497 1.00 0.00 C ATOM 1434 C MET A 92 -5.355 -8.597 -7.752 1.00 0.00 C ATOM 1435 O MET A 92 -5.355 -7.502 -8.282 1.00 0.00 O ATOM 1436 CB MET A 92 -3.423 -9.559 -8.990 1.00 0.00 C ATOM 1437 CG MET A 92 -2.802 -10.880 -9.453 1.00 0.00 C ATOM 1438 SD MET A 92 -2.055 -11.939 -8.187 1.00 0.00 S ATOM 1439 CE MET A 92 -2.675 -13.519 -8.814 1.00 0.00 C ATOM 0 H MET A 92 -5.592 -9.461 -10.467 1.00 0.00 H new ATOM 0 HA MET A 92 -4.880 -10.680 -7.824 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.434 -8.841 -9.810 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.825 -9.122 -8.191 1.00 0.00 H new ATOM 0 HG2 MET A 92 -3.576 -11.456 -9.961 1.00 0.00 H new ATOM 0 HG3 MET A 92 -2.037 -10.651 -10.195 1.00 0.00 H new ATOM 0 HE1 MET A 92 -2.327 -14.327 -8.171 1.00 0.00 H new ATOM 0 HE2 MET A 92 -3.765 -13.505 -8.822 1.00 0.00 H new ATOM 0 HE3 MET A 92 -2.307 -13.678 -9.827 1.00 0.00 H new ATOM 1449 N GLU A 93 -5.774 -8.804 -6.533 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.282 -7.665 -5.731 1.00 0.00 C ATOM 1451 C GLU A 93 -5.196 -7.092 -4.825 1.00 0.00 C ATOM 1452 O GLU A 93 -4.789 -7.713 -3.862 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.435 -8.174 -4.862 1.00 0.00 C ATOM 1454 CG GLU A 93 -7.239 -9.669 -4.594 1.00 0.00 C ATOM 1455 CD GLU A 93 -7.975 -10.058 -3.310 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -7.741 -9.377 -2.324 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -8.729 -11.013 -3.387 1.00 0.00 O ATOM 0 H GLU A 93 -5.785 -9.709 -6.063 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.610 -6.875 -6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.468 -7.625 -3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.388 -8.004 -5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.617 -10.252 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.177 -9.896 -4.500 1.00 0.00 H new ATOM 1464 N ILE A 94 -4.750 -5.913 -5.155 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.696 -5.266 -4.339 1.00 0.00 C ATOM 1466 C ILE A 94 -4.315 -4.359 -3.281 1.00 0.00 C ATOM 1467 O ILE A 94 -5.125 -3.500 -3.591 1.00 0.00 O ATOM 1468 CB ILE A 94 -2.823 -4.414 -5.265 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -1.870 -5.310 -6.044 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -1.991 -3.444 -4.405 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.250 -4.505 -7.189 1.00 0.00 C ATOM 0 H ILE A 94 -5.073 -5.371 -5.957 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.106 -6.036 -3.842 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.459 -3.865 -5.959 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.089 -5.691 -5.386 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.404 -6.175 -6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.364 -2.830 -5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.659 -2.801 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.360 -4.013 -3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.566 -5.140 -7.752 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.039 -4.146 -7.850 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.703 -3.655 -6.782 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.922 -4.569 -2.048 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.466 -3.737 -0.945 1.00 0.00 C ATOM 1485 C VAL A 95 -3.447 -2.688 -0.525 1.00 0.00 C ATOM 1486 O VAL A 95 -2.319 -3.015 -0.207 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.752 -4.657 0.253 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -5.478 -3.861 1.340 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.646 -5.813 -0.201 1.00 0.00 C ATOM 0 H VAL A 95 -3.249 -5.281 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.374 -3.235 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.813 -5.048 0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.682 -4.510 2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.852 -3.028 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.418 -3.476 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.851 -6.468 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.584 -5.417 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.140 -6.379 -0.983 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.864 -1.440 -0.535 1.00 0.00 N ATOM 1500 CA ILE A 96 -2.933 -0.344 -0.139 1.00 0.00 C ATOM 1501 C ILE A 96 -3.504 0.478 1.008 1.00 0.00 C ATOM 1502 O ILE A 96 -4.497 1.155 0.855 1.00 0.00 O ATOM 1503 CB ILE A 96 -2.737 0.568 -1.349 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.496 -0.276 -2.593 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -1.498 1.444 -1.103 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -2.532 0.628 -3.825 1.00 0.00 C ATOM 0 H ILE A 96 -4.803 -1.140 -0.799 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.990 -0.780 0.190 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.624 1.185 -1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.532 -0.780 -2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.257 -1.052 -2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.342 2.102 -1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.649 2.044 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.623 0.808 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.360 0.030 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.507 1.111 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.755 1.388 -3.742 1.00 0.00 H new ATOM 1518 N THR A 97 -2.862 0.402 2.144 1.00 0.00 N ATOM 1519 CA THR A 97 -3.352 1.174 3.311 1.00 0.00 C ATOM 1520 C THR A 97 -2.682 2.543 3.367 1.00 0.00 C ATOM 1521 O THR A 97 -1.558 2.706 2.931 1.00 0.00 O ATOM 1522 CB THR A 97 -3.008 0.394 4.588 1.00 0.00 C ATOM 1523 OG1 THR A 97 -3.927 0.846 5.563 1.00 0.00 O ATOM 1524 CG2 THR A 97 -1.633 0.810 5.135 1.00 0.00 C ATOM 0 H THR A 97 -2.026 -0.159 2.309 1.00 0.00 H new ATOM 0 HA THR A 97 -4.429 1.316 3.223 1.00 0.00 H new ATOM 0 HB THR A 97 -3.028 -0.676 4.380 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.761 0.381 6.410 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.414 0.242 6.039 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.867 0.608 4.386 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.641 1.875 5.368 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.381 3.505 3.899 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.793 4.863 3.986 1.00 0.00 C ATOM 1534 C VAL A 98 -2.062 5.065 5.306 1.00 0.00 C ATOM 1535 O VAL A 98 -2.445 4.513 6.320 1.00 0.00 O ATOM 1536 CB VAL A 98 -3.930 5.889 3.892 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.336 7.299 3.870 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.710 5.651 2.600 1.00 0.00 C ATOM 0 H VAL A 98 -4.325 3.409 4.273 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.078 4.988 3.173 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.594 5.785 4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.140 8.032 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.766 7.468 4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.678 7.403 3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.520 6.376 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.042 5.764 1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.125 4.643 2.606 1.00 0.00 H new ATOM 1548 N THR A 99 -1.020 5.858 5.260 1.00 0.00 N ATOM 1549 CA THR A 99 -0.226 6.132 6.491 1.00 0.00 C ATOM 1550 C THR A 99 -0.313 7.608 6.854 1.00 0.00 C ATOM 1551 O THR A 99 -0.373 8.449 5.988 1.00 0.00 O ATOM 1552 CB THR A 99 1.240 5.788 6.202 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.277 5.451 4.831 1.00 0.00 O ATOM 1554 CG2 THR A 99 1.659 4.499 6.927 1.00 0.00 C ATOM 0 H THR A 99 -0.686 6.328 4.418 1.00 0.00 H new ATOM 0 HA THR A 99 -0.615 5.535 7.316 1.00 0.00 H new ATOM 0 HB THR A 99 1.879 6.618 6.504 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.194 5.220 4.576 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.703 4.279 6.704 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.537 4.630 8.002 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.034 3.672 6.590 1.00 0.00 H new ATOM 1562 N ASP A 100 -0.315 7.898 8.127 1.00 0.00 N ATOM 1563 CA ASP A 100 -0.399 9.324 8.549 1.00 0.00 C ATOM 1564 C ASP A 100 0.883 10.074 8.219 1.00 0.00 C ATOM 1565 O ASP A 100 1.655 10.403 9.097 1.00 0.00 O ATOM 1566 CB ASP A 100 -0.621 9.369 10.068 1.00 0.00 C ATOM 1567 CG ASP A 100 0.271 8.325 10.743 1.00 0.00 C ATOM 1568 OD1 ASP A 100 1.088 7.767 10.031 1.00 0.00 O ATOM 1569 OD2 ASP A 100 0.084 8.145 11.936 1.00 0.00 O ATOM 0 H ASP A 100 -0.263 7.217 8.885 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.222 9.799 8.015 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.390 10.363 10.451 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -1.668 9.173 10.300 1.00 0.00 H new ATOM 1574 N GLN A 101 1.075 10.340 6.950 1.00 0.00 N ATOM 1575 CA GLN A 101 2.294 11.070 6.516 1.00 0.00 C ATOM 1576 C GLN A 101 3.515 10.656 7.333 1.00 0.00 C ATOM 1577 O GLN A 101 3.682 9.497 7.658 1.00 0.00 O ATOM 1578 CB GLN A 101 2.043 12.575 6.708 1.00 0.00 C ATOM 1579 CG GLN A 101 2.626 13.328 5.515 1.00 0.00 C ATOM 1580 CD GLN A 101 2.563 14.832 5.782 1.00 0.00 C ATOM 1581 OE1 GLN A 101 2.166 15.269 6.843 1.00 0.00 O ATOM 1582 NE2 GLN A 101 2.946 15.658 4.845 1.00 0.00 N ATOM 0 H GLN A 101 0.436 10.080 6.199 1.00 0.00 H new ATOM 0 HA GLN A 101 2.496 10.833 5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.974 12.771 6.792 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.504 12.919 7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 101 3.658 13.021 5.346 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.069 13.085 4.610 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.280 15.296 3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.911 16.664 5.007 1.00 0.00 H new ATOM 1591 N ASN A 102 4.347 11.613 7.648 1.00 0.00 N ATOM 1592 CA ASN A 102 5.561 11.301 8.442 1.00 0.00 C ATOM 1593 C ASN A 102 5.873 12.438 9.409 1.00 0.00 C ATOM 1594 O ASN A 102 6.810 12.364 10.180 1.00 0.00 O ATOM 1595 CB ASN A 102 6.743 11.134 7.471 1.00 0.00 C ATOM 1596 CG ASN A 102 7.951 10.586 8.231 1.00 0.00 C ATOM 1597 OD1 ASN A 102 8.691 11.320 8.858 1.00 0.00 O ATOM 1598 ND2 ASN A 102 8.190 9.303 8.201 1.00 0.00 N ATOM 0 H ASN A 102 4.235 12.593 7.389 1.00 0.00 H new ATOM 0 HA ASN A 102 5.395 10.389 9.015 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.470 10.456 6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 102 6.991 12.092 7.014 1.00 0.00 H new ATOM 0 HD21 ASN A 102 8.993 8.922 8.701 1.00 0.00 H new ATOM 0 HD22 ASN A 102 7.574 8.682 7.677 1.00 0.00 H new ATOM 1605 N ASP A 103 5.076 13.472 9.351 1.00 0.00 N ATOM 1606 CA ASP A 103 5.306 14.625 10.257 1.00 0.00 C ATOM 1607 C ASP A 103 4.785 14.330 11.658 1.00 0.00 C ATOM 1608 O ASP A 103 4.180 13.304 11.897 1.00 0.00 O ATOM 1609 CB ASP A 103 4.547 15.838 9.693 1.00 0.00 C ATOM 1610 CG ASP A 103 4.777 17.047 10.603 1.00 0.00 C ATOM 1611 OD1 ASP A 103 5.935 17.282 10.908 1.00 0.00 O ATOM 1612 OD2 ASP A 103 3.782 17.667 10.942 1.00 0.00 O ATOM 0 H ASP A 103 4.281 13.564 8.718 1.00 0.00 H new ATOM 0 HA ASP A 103 6.376 14.821 10.319 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.891 16.059 8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.482 15.616 9.626 1.00 0.00 H new ATOM 1617 N ASN A 104 5.031 15.240 12.561 1.00 0.00 N ATOM 1618 CA ASN A 104 4.560 15.033 13.952 1.00 0.00 C ATOM 1619 C ASN A 104 3.115 14.552 13.968 1.00 0.00 C ATOM 1620 O ASN A 104 2.406 14.936 13.053 1.00 0.00 O ATOM 1621 CB ASN A 104 4.644 16.374 14.695 1.00 0.00 C ATOM 1622 CG ASN A 104 4.806 16.112 16.194 1.00 0.00 C ATOM 1623 OD1 ASN A 104 5.868 16.299 16.758 1.00 0.00 O ATOM 1624 ND2 ASN A 104 3.781 15.675 16.876 1.00 0.00 N ATOM 1625 OXT ASN A 104 2.798 13.824 14.895 1.00 0.00 O ATOM 0 H ASN A 104 5.535 16.111 12.394 1.00 0.00 H new ATOM 0 HA ASN A 104 5.184 14.279 14.432 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.486 16.957 14.323 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.744 16.961 14.512 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.874 15.493 17.875 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.888 15.516 16.409 1.00 0.00 H new TER 1632 ASN A 104