USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 822 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 104 HIS : no HD1:sc= -0.0401 X(o=-3.6,f=-3.5) USER MOD Set 1.2: A 106 HIS : no HD1:sc= -3.51 K(o=-3.6,f=-5.2!) USER MOD Set 2.1: A 54 SER OG : rot -170:sc= 0.299 USER MOD Set 2.2: A 83 SER OG : rot -28:sc= 0.315 USER MOD Set 3.1: A 10 SER OG : rot 104:sc= 1.2 USER MOD Set 3.2: A 12 SER OG : rot 180:sc= 0.759 USER MOD Set 4.1: A 1 SER OG : rot -64:sc= 0.364 USER MOD Set 4.2: A 17 SER OG : rot -1:sc= -1.52 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 55:sc= -0.0181 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -24:sc= 1.79 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -10:sc= 1.09 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.00342 K(o=-0.0034,f=-0.83) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.34 USER MOD Single : A 55 SER OG : rot -93:sc= 0.783 USER MOD Single : A 58 LYS NZ :NH3+ 147:sc= -1.14 (180deg=-3.54!) USER MOD Single : A 59 GLN : amide:sc=-0.00944 K(o=-0.0094,f=-1.7!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 63 SER OG : rot 63:sc= 1.17 USER MOD Single : A 70 ASN : amide:sc= -1.5 K(o=-1.5,f=-5.2!) USER MOD Single : A 75 GLN : amide:sc= -3.17! C(o=-3.2!,f=-2!) USER MOD Single : A 77 ASN : amide:sc= -0.483 K(o=-0.48,f=-1.7!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 90:sc= 0.0887 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 46:sc= 0.327 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.44! K(o=-1.4!,f=-0.053) USER MOD Single : A 96 ASN : amide:sc= -1.49! K(o=-1.5!,f=-0.011) USER MOD Single : A 101 HIS : no HE2:sc= -2.82! C(o=-2.8!,f=-6!) USER MOD Single : A 102 HIS : no HD1:sc= -0.321 K(o=-0.32,f=-1.1) USER MOD Single : A 103 HIS : no HD1:sc= -0.0197 X(o=-0.02,f=-0.39) USER MOD Single : A 105 HIS : no HD1:sc= -7.51! C(o=-7.5!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.524 0.083 -2.540 1.00 0.00 N ATOM 2 CA SER A 1 -11.140 -0.074 -2.013 1.00 0.00 C ATOM 3 C SER A 1 -10.841 -1.566 -1.844 1.00 0.00 C ATOM 4 O SER A 1 -10.737 -2.071 -0.746 1.00 0.00 O ATOM 5 CB SER A 1 -11.030 0.646 -0.668 1.00 0.00 C ATOM 6 OG SER A 1 -9.854 0.222 0.001 1.00 0.00 O ATOM 0 H1 SER A 1 -12.738 1.094 -2.659 1.00 0.00 H new ATOM 0 H2 SER A 1 -12.602 -0.398 -3.459 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.200 -0.337 -1.871 1.00 0.00 H new ATOM 0 HA SER A 1 -10.419 0.360 -2.706 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.005 1.725 -0.822 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.906 0.432 -0.056 1.00 0.00 H new ATOM 0 HG SER A 1 -9.921 -0.734 0.207 1.00 0.00 H new ATOM 14 N ASP A 2 -10.720 -2.276 -2.935 1.00 0.00 N ATOM 15 CA ASP A 2 -10.449 -3.741 -2.862 1.00 0.00 C ATOM 16 C ASP A 2 -8.983 -3.995 -2.504 1.00 0.00 C ATOM 17 O ASP A 2 -8.116 -3.194 -2.784 1.00 0.00 O ATOM 18 CB ASP A 2 -10.757 -4.380 -4.218 1.00 0.00 C ATOM 19 CG ASP A 2 -10.693 -5.902 -4.087 1.00 0.00 C ATOM 20 OD1 ASP A 2 -11.493 -6.447 -3.345 1.00 0.00 O ATOM 21 OD2 ASP A 2 -9.845 -6.497 -4.732 1.00 0.00 O ATOM 0 H ASP A 2 -10.798 -1.900 -3.880 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.082 -4.180 -2.090 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.746 -4.074 -4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.041 -4.038 -4.965 1.00 0.00 H new ATOM 26 N LEU A 3 -8.702 -5.112 -1.888 1.00 0.00 N ATOM 27 CA LEU A 3 -7.297 -5.420 -1.512 1.00 0.00 C ATOM 28 C LEU A 3 -6.523 -5.883 -2.742 1.00 0.00 C ATOM 29 O LEU A 3 -6.952 -6.762 -3.462 1.00 0.00 O ATOM 30 CB LEU A 3 -7.292 -6.522 -0.449 1.00 0.00 C ATOM 31 CG LEU A 3 -5.852 -6.859 -0.036 1.00 0.00 C ATOM 32 CD1 LEU A 3 -5.152 -5.613 0.536 1.00 0.00 C ATOM 33 CD2 LEU A 3 -5.893 -7.963 1.023 1.00 0.00 C ATOM 0 H LEU A 3 -9.387 -5.823 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.821 -4.525 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.861 -6.198 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.784 -7.414 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.292 -7.197 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.132 -5.869 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.130 -4.829 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.698 -5.258 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.877 -8.214 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.455 -7.615 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.376 -8.848 0.608 1.00 0.00 H new ATOM 45 N VAL A 4 -5.379 -5.297 -2.982 1.00 0.00 N ATOM 46 CA VAL A 4 -4.553 -5.693 -4.162 1.00 0.00 C ATOM 47 C VAL A 4 -3.087 -5.776 -3.750 1.00 0.00 C ATOM 48 O VAL A 4 -2.684 -5.265 -2.726 1.00 0.00 O ATOM 49 CB VAL A 4 -4.715 -4.661 -5.273 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.161 -4.676 -5.764 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.373 -3.271 -4.733 1.00 0.00 C ATOM 0 H VAL A 4 -4.978 -4.556 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.884 -6.666 -4.525 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.045 -4.902 -6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.283 -3.940 -6.559 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.405 -5.667 -6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.828 -4.432 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.489 -2.533 -5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.043 -3.026 -3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.343 -3.262 -4.377 1.00 0.00 H new ATOM 61 N LYS A 5 -2.297 -6.438 -4.540 1.00 0.00 N ATOM 62 CA LYS A 5 -0.855 -6.594 -4.212 1.00 0.00 C ATOM 63 C LYS A 5 -0.059 -5.420 -4.785 1.00 0.00 C ATOM 64 O LYS A 5 -0.519 -4.705 -5.651 1.00 0.00 O ATOM 65 CB LYS A 5 -0.352 -7.897 -4.833 1.00 0.00 C ATOM 66 CG LYS A 5 -1.274 -9.071 -4.459 1.00 0.00 C ATOM 67 CD LYS A 5 -1.227 -9.333 -2.951 1.00 0.00 C ATOM 68 CE LYS A 5 -2.044 -10.579 -2.623 1.00 0.00 C ATOM 69 NZ LYS A 5 -1.943 -10.852 -1.163 1.00 0.00 N ATOM 0 H LYS A 5 -2.590 -6.883 -5.409 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.725 -6.615 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.307 -7.795 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.662 -8.101 -4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.297 -8.849 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.968 -9.967 -4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.195 -9.467 -2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.622 -8.473 -2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.086 -10.432 -2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.675 -11.432 -3.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.497 -11.700 -0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.947 -11.008 -0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.314 -10.039 -0.631 1.00 0.00 H new ATOM 83 N ILE A 6 1.133 -5.222 -4.297 1.00 0.00 N ATOM 84 CA ILE A 6 1.979 -4.103 -4.795 1.00 0.00 C ATOM 85 C ILE A 6 2.277 -4.322 -6.282 1.00 0.00 C ATOM 86 O ILE A 6 2.237 -3.407 -7.077 1.00 0.00 O ATOM 87 CB ILE A 6 3.293 -4.085 -4.008 1.00 0.00 C ATOM 88 CG1 ILE A 6 3.008 -3.701 -2.552 1.00 0.00 C ATOM 89 CG2 ILE A 6 4.249 -3.064 -4.626 1.00 0.00 C ATOM 90 CD1 ILE A 6 4.261 -3.932 -1.704 1.00 0.00 C ATOM 0 H ILE A 6 1.561 -5.793 -3.568 1.00 0.00 H new ATOM 0 HA ILE A 6 1.459 -3.154 -4.664 1.00 0.00 H new ATOM 0 HB ILE A 6 3.750 -5.074 -4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.705 -2.655 -2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.180 -4.295 -2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.183 -3.053 -4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.452 -3.336 -5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.795 -2.074 -4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.056 -3.658 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.544 -4.984 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.077 -3.319 -2.086 1.00 0.00 H new ATOM 102 N ARG A 7 2.585 -5.528 -6.658 1.00 0.00 N ATOM 103 CA ARG A 7 2.900 -5.810 -8.085 1.00 0.00 C ATOM 104 C ARG A 7 1.616 -5.754 -8.918 1.00 0.00 C ATOM 105 O ARG A 7 1.654 -5.695 -10.131 1.00 0.00 O ATOM 106 CB ARG A 7 3.527 -7.209 -8.181 1.00 0.00 C ATOM 107 CG ARG A 7 5.018 -7.154 -7.800 1.00 0.00 C ATOM 108 CD ARG A 7 5.858 -6.714 -9.004 1.00 0.00 C ATOM 109 NE ARG A 7 7.307 -6.786 -8.647 1.00 0.00 N ATOM 110 CZ ARG A 7 8.170 -5.962 -9.188 1.00 0.00 C ATOM 111 NH1 ARG A 7 7.775 -5.061 -10.048 1.00 0.00 N ATOM 112 NH2 ARG A 7 9.432 -6.045 -8.870 1.00 0.00 N ATOM 0 H ARG A 7 2.633 -6.335 -6.037 1.00 0.00 H new ATOM 0 HA ARG A 7 3.598 -5.066 -8.468 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.001 -7.897 -7.519 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.418 -7.595 -9.194 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.164 -6.459 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.349 -8.134 -7.456 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.650 -7.355 -9.861 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.593 -5.697 -9.295 1.00 0.00 H new ATOM 0 HE ARG A 7 7.628 -7.484 -7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.789 -4.996 -10.302 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.452 -4.423 -10.465 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.744 -6.750 -8.202 1.00 0.00 H new ATOM 0 HH22 ARG A 7 10.107 -5.405 -9.289 1.00 0.00 H new ATOM 126 N ASP A 8 0.480 -5.767 -8.281 1.00 0.00 N ATOM 127 CA ASP A 8 -0.805 -5.703 -9.034 1.00 0.00 C ATOM 128 C ASP A 8 -1.221 -4.239 -9.176 1.00 0.00 C ATOM 129 O ASP A 8 -2.265 -3.929 -9.708 1.00 0.00 O ATOM 130 CB ASP A 8 -1.881 -6.462 -8.255 1.00 0.00 C ATOM 131 CG ASP A 8 -1.549 -7.957 -8.238 1.00 0.00 C ATOM 132 OD1 ASP A 8 -0.696 -8.364 -9.010 1.00 0.00 O ATOM 133 OD2 ASP A 8 -2.157 -8.668 -7.456 1.00 0.00 O ATOM 0 H ASP A 8 0.384 -5.819 -7.267 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.684 -6.151 -10.020 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.942 -6.082 -7.235 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.857 -6.302 -8.714 1.00 0.00 H new ATOM 138 N VAL A 9 -0.417 -3.336 -8.684 1.00 0.00 N ATOM 139 CA VAL A 9 -0.771 -1.891 -8.766 1.00 0.00 C ATOM 140 C VAL A 9 -0.821 -1.432 -10.224 1.00 0.00 C ATOM 141 O VAL A 9 0.066 -1.703 -11.008 1.00 0.00 O ATOM 142 CB VAL A 9 0.271 -1.070 -8.002 1.00 0.00 C ATOM 143 CG1 VAL A 9 0.025 0.425 -8.230 1.00 0.00 C ATOM 144 CG2 VAL A 9 0.155 -1.381 -6.507 1.00 0.00 C ATOM 0 H VAL A 9 0.472 -3.538 -8.227 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.755 -1.743 -8.322 1.00 0.00 H new ATOM 0 HB VAL A 9 1.268 -1.327 -8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.770 1.004 -7.684 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.101 0.648 -9.294 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.971 0.688 -7.875 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.894 -0.800 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.844 -1.121 -6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.332 -2.444 -6.342 1.00 0.00 H new ATOM 154 N SER A 10 -1.859 -0.727 -10.583 1.00 0.00 N ATOM 155 CA SER A 10 -1.987 -0.227 -11.979 1.00 0.00 C ATOM 156 C SER A 10 -2.905 0.999 -11.990 1.00 0.00 C ATOM 157 O SER A 10 -3.646 1.242 -11.059 1.00 0.00 O ATOM 158 CB SER A 10 -2.585 -1.324 -12.859 1.00 0.00 C ATOM 159 OG SER A 10 -3.768 -1.821 -12.249 1.00 0.00 O ATOM 0 H SER A 10 -2.629 -0.475 -9.963 1.00 0.00 H new ATOM 0 HA SER A 10 -1.005 0.048 -12.364 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.811 -0.929 -13.850 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.865 -2.131 -12.994 1.00 0.00 H new ATOM 0 HG SER A 10 -4.552 -1.457 -12.711 1.00 0.00 H new ATOM 165 N LEU A 11 -2.860 1.772 -13.036 1.00 0.00 N ATOM 166 CA LEU A 11 -3.720 2.984 -13.114 1.00 0.00 C ATOM 167 C LEU A 11 -5.175 2.555 -13.328 1.00 0.00 C ATOM 168 O LEU A 11 -6.089 3.346 -13.229 1.00 0.00 O ATOM 169 CB LEU A 11 -3.254 3.842 -14.293 1.00 0.00 C ATOM 170 CG LEU A 11 -1.817 4.332 -14.043 1.00 0.00 C ATOM 171 CD1 LEU A 11 -1.293 5.033 -15.302 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.782 5.307 -12.849 1.00 0.00 C ATOM 0 H LEU A 11 -2.260 1.616 -13.846 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.647 3.559 -12.191 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.295 3.263 -15.215 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.922 4.694 -14.421 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.184 3.475 -13.811 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.275 5.381 -15.128 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.299 4.333 -16.137 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.932 5.884 -15.537 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.759 5.645 -12.685 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.418 6.166 -13.062 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.145 4.800 -11.955 1.00 0.00 H new ATOM 184 N SER A 12 -5.392 1.305 -13.625 1.00 0.00 N ATOM 185 CA SER A 12 -6.782 0.820 -13.850 1.00 0.00 C ATOM 186 C SER A 12 -7.566 0.889 -12.539 1.00 0.00 C ATOM 187 O SER A 12 -8.778 0.845 -12.534 1.00 0.00 O ATOM 188 CB SER A 12 -6.734 -0.630 -14.325 1.00 0.00 C ATOM 189 OG SER A 12 -6.082 -1.418 -13.337 1.00 0.00 O ATOM 0 H SER A 12 -4.665 0.596 -13.722 1.00 0.00 H new ATOM 0 HA SER A 12 -7.268 1.443 -14.600 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.743 -1.003 -14.499 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.201 -0.698 -15.273 1.00 0.00 H new ATOM 0 HG SER A 12 -6.048 -2.352 -13.633 1.00 0.00 H new ATOM 195 N THR A 13 -6.879 0.985 -11.426 1.00 0.00 N ATOM 196 CA THR A 13 -7.569 1.046 -10.098 1.00 0.00 C ATOM 197 C THR A 13 -7.149 2.324 -9.360 1.00 0.00 C ATOM 198 O THR A 13 -6.251 2.309 -8.540 1.00 0.00 O ATOM 199 CB THR A 13 -7.162 -0.179 -9.275 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.859 0.008 -8.740 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.173 -1.420 -10.166 1.00 0.00 C ATOM 0 H THR A 13 -5.861 1.024 -11.380 1.00 0.00 H new ATOM 0 HA THR A 13 -8.650 1.055 -10.241 1.00 0.00 H new ATOM 0 HB THR A 13 -7.870 -0.310 -8.457 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.832 0.843 -8.228 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.883 -2.292 -9.579 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.175 -1.570 -10.568 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.469 -1.285 -10.987 1.00 0.00 H new ATOM 209 N PRO A 14 -7.796 3.428 -9.644 1.00 0.00 N ATOM 210 CA PRO A 14 -7.480 4.727 -8.986 1.00 0.00 C ATOM 211 C PRO A 14 -7.493 4.604 -7.461 1.00 0.00 C ATOM 212 O PRO A 14 -6.648 5.149 -6.784 1.00 0.00 O ATOM 213 CB PRO A 14 -8.600 5.669 -9.462 1.00 0.00 C ATOM 214 CG PRO A 14 -9.092 5.074 -10.744 1.00 0.00 C ATOM 215 CD PRO A 14 -8.891 3.561 -10.619 1.00 0.00 C ATOM 0 HA PRO A 14 -6.483 5.084 -9.244 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.400 5.734 -8.725 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.225 6.681 -9.615 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.143 5.315 -10.907 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.538 5.471 -11.595 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.797 3.065 -10.272 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.629 3.112 -11.577 1.00 0.00 H new ATOM 223 N TYR A 15 -8.453 3.887 -6.924 1.00 0.00 N ATOM 224 CA TYR A 15 -8.542 3.716 -5.440 1.00 0.00 C ATOM 225 C TYR A 15 -8.424 2.238 -5.079 1.00 0.00 C ATOM 226 O TYR A 15 -9.090 1.395 -5.643 1.00 0.00 O ATOM 227 CB TYR A 15 -9.890 4.246 -4.951 1.00 0.00 C ATOM 228 CG TYR A 15 -9.931 5.744 -5.131 1.00 0.00 C ATOM 229 CD1 TYR A 15 -9.249 6.576 -4.234 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.651 6.304 -6.194 1.00 0.00 C ATOM 231 CE1 TYR A 15 -9.287 7.965 -4.399 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.689 7.694 -6.359 1.00 0.00 C ATOM 233 CZ TYR A 15 -10.007 8.524 -5.460 1.00 0.00 C ATOM 234 OH TYR A 15 -10.044 9.894 -5.623 1.00 0.00 O ATOM 0 H TYR A 15 -9.182 3.411 -7.455 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.731 4.269 -4.966 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.702 3.779 -5.509 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.036 3.990 -3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.693 6.145 -3.414 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.177 5.664 -6.887 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.760 8.606 -3.707 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.244 8.126 -7.179 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.587 10.115 -6.408 1.00 0.00 H new ATOM 244 N VAL A 16 -7.584 1.916 -4.132 1.00 0.00 N ATOM 245 CA VAL A 16 -7.435 0.486 -3.722 1.00 0.00 C ATOM 246 C VAL A 16 -6.934 0.412 -2.283 1.00 0.00 C ATOM 247 O VAL A 16 -6.821 1.410 -1.598 1.00 0.00 O ATOM 248 CB VAL A 16 -6.432 -0.225 -4.635 1.00 0.00 C ATOM 249 CG1 VAL A 16 -7.006 -0.345 -6.044 1.00 0.00 C ATOM 250 CG2 VAL A 16 -5.129 0.575 -4.683 1.00 0.00 C ATOM 0 H VAL A 16 -6.996 2.577 -3.625 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.406 -0.002 -3.802 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.235 -1.222 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.287 -0.852 -6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.932 -0.919 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.209 0.650 -6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.415 0.069 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.329 1.573 -5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.713 0.653 -3.679 1.00 0.00 H new ATOM 260 N SER A 17 -6.632 -0.773 -1.822 1.00 0.00 N ATOM 261 CA SER A 17 -6.124 -0.951 -0.428 1.00 0.00 C ATOM 262 C SER A 17 -4.875 -1.833 -0.467 1.00 0.00 C ATOM 263 O SER A 17 -4.833 -2.824 -1.167 1.00 0.00 O ATOM 264 CB SER A 17 -7.207 -1.620 0.422 1.00 0.00 C ATOM 265 OG SER A 17 -7.835 -2.643 -0.331 1.00 0.00 O ATOM 0 H SER A 17 -6.717 -1.636 -2.358 1.00 0.00 H new ATOM 0 HA SER A 17 -5.874 0.016 0.008 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.767 -2.038 1.327 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.944 -0.882 0.738 1.00 0.00 H new ATOM 0 HG SER A 17 -7.441 -2.678 -1.228 1.00 0.00 H new ATOM 271 N VAL A 18 -3.857 -1.480 0.279 1.00 0.00 N ATOM 272 CA VAL A 18 -2.604 -2.302 0.286 1.00 0.00 C ATOM 273 C VAL A 18 -2.074 -2.427 1.711 1.00 0.00 C ATOM 274 O VAL A 18 -2.382 -1.630 2.575 1.00 0.00 O ATOM 275 CB VAL A 18 -1.549 -1.635 -0.597 1.00 0.00 C ATOM 276 CG1 VAL A 18 -2.021 -1.668 -2.050 1.00 0.00 C ATOM 277 CG2 VAL A 18 -1.350 -0.179 -0.162 1.00 0.00 C ATOM 0 H VAL A 18 -3.838 -0.659 0.884 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.826 -3.296 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.604 -2.170 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.274 -1.194 -2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.161 -2.702 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.966 -1.131 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.597 0.290 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.292 0.361 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.019 -0.151 0.876 1.00 0.00 H new ATOM 287 N ILE A 19 -1.271 -3.429 1.956 1.00 0.00 N ATOM 288 CA ILE A 19 -0.691 -3.642 3.317 1.00 0.00 C ATOM 289 C ILE A 19 0.800 -3.942 3.186 1.00 0.00 C ATOM 290 O ILE A 19 1.204 -4.740 2.366 1.00 0.00 O ATOM 291 CB ILE A 19 -1.397 -4.820 3.987 1.00 0.00 C ATOM 292 CG1 ILE A 19 -2.849 -4.437 4.269 1.00 0.00 C ATOM 293 CG2 ILE A 19 -0.694 -5.163 5.301 1.00 0.00 C ATOM 294 CD1 ILE A 19 -3.645 -5.678 4.668 1.00 0.00 C ATOM 0 H ILE A 19 -0.988 -4.119 1.261 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.829 -2.746 3.923 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.366 -5.688 3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.890 -3.695 5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.292 -3.979 3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.200 -6.003 5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.343 -5.431 5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.723 -4.299 5.965 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.679 -5.398 4.868 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.616 -6.405 3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.208 -6.117 5.565 1.00 0.00 H new ATOM 306 N GLY A 20 1.625 -3.316 3.979 1.00 0.00 N ATOM 307 CA GLY A 20 3.083 -3.597 3.862 1.00 0.00 C ATOM 308 C GLY A 20 3.846 -2.925 5.000 1.00 0.00 C ATOM 309 O GLY A 20 3.261 -2.407 5.930 1.00 0.00 O ATOM 0 H GLY A 20 1.360 -2.635 4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.256 -4.673 3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.454 -3.235 2.903 1.00 0.00 H new ATOM 313 N LYS A 21 5.156 -2.936 4.928 1.00 0.00 N ATOM 314 CA LYS A 21 5.992 -2.302 5.995 1.00 0.00 C ATOM 315 C LYS A 21 6.741 -1.117 5.399 1.00 0.00 C ATOM 316 O LYS A 21 7.489 -1.257 4.454 1.00 0.00 O ATOM 317 CB LYS A 21 6.981 -3.338 6.532 1.00 0.00 C ATOM 318 CG LYS A 21 7.800 -2.730 7.670 1.00 0.00 C ATOM 319 CD LYS A 21 8.712 -3.803 8.267 1.00 0.00 C ATOM 320 CE LYS A 21 9.521 -3.200 9.415 1.00 0.00 C ATOM 321 NZ LYS A 21 10.363 -4.254 10.046 1.00 0.00 N ATOM 0 H LYS A 21 5.686 -3.362 4.168 1.00 0.00 H new ATOM 0 HA LYS A 21 5.363 -1.951 6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.444 -4.217 6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.643 -3.671 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.395 -1.896 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.137 -2.332 8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.117 -4.642 8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.382 -4.194 7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.151 -2.392 9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.850 -2.765 10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.911 -3.839 10.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.753 -5.011 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.014 -4.649 9.337 1.00 0.00 H new ATOM 335 N ILE A 22 6.526 0.053 5.944 1.00 0.00 N ATOM 336 CA ILE A 22 7.199 1.274 5.415 1.00 0.00 C ATOM 337 C ILE A 22 8.542 1.467 6.116 1.00 0.00 C ATOM 338 O ILE A 22 8.638 1.378 7.328 1.00 0.00 O ATOM 339 CB ILE A 22 6.306 2.495 5.670 1.00 0.00 C ATOM 340 CG1 ILE A 22 5.051 2.417 4.785 1.00 0.00 C ATOM 341 CG2 ILE A 22 7.079 3.778 5.341 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.069 1.364 5.321 1.00 0.00 C ATOM 0 H ILE A 22 5.908 0.214 6.739 1.00 0.00 H new ATOM 0 HA ILE A 22 7.367 1.161 4.344 1.00 0.00 H new ATOM 0 HB ILE A 22 6.010 2.506 6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.563 3.391 4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.336 2.168 3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.442 4.643 5.523 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.965 3.841 5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.380 3.763 4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.189 1.327 4.679 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.553 0.387 5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.768 1.630 6.334 1.00 0.00 H new ATOM 354 N THR A 23 9.574 1.739 5.354 1.00 0.00 N ATOM 355 CA THR A 23 10.927 1.956 5.946 1.00 0.00 C ATOM 356 C THR A 23 11.599 3.158 5.274 1.00 0.00 C ATOM 357 O THR A 23 11.259 3.540 4.169 1.00 0.00 O ATOM 358 CB THR A 23 11.782 0.705 5.727 1.00 0.00 C ATOM 359 OG1 THR A 23 12.337 0.738 4.419 1.00 0.00 O ATOM 360 CG2 THR A 23 10.914 -0.547 5.879 1.00 0.00 C ATOM 0 H THR A 23 9.534 1.820 4.338 1.00 0.00 H new ATOM 0 HA THR A 23 10.828 2.150 7.014 1.00 0.00 H new ATOM 0 HB THR A 23 12.583 0.680 6.466 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.886 -0.061 4.276 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.526 -1.435 5.722 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.486 -0.573 6.881 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.111 -0.525 5.142 1.00 0.00 H new ATOM 368 N GLY A 24 12.560 3.746 5.935 1.00 0.00 N ATOM 369 CA GLY A 24 13.274 4.917 5.351 1.00 0.00 C ATOM 370 C GLY A 24 12.297 6.073 5.135 1.00 0.00 C ATOM 371 O GLY A 24 11.781 6.268 4.055 1.00 0.00 O ATOM 0 H GLY A 24 12.883 3.463 6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.079 5.230 6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.734 4.637 4.403 1.00 0.00 H new ATOM 375 N ILE A 25 12.042 6.845 6.156 1.00 0.00 N ATOM 376 CA ILE A 25 11.099 7.995 6.012 1.00 0.00 C ATOM 377 C ILE A 25 11.850 9.214 5.483 1.00 0.00 C ATOM 378 O ILE A 25 12.893 9.579 5.984 1.00 0.00 O ATOM 379 CB ILE A 25 10.488 8.319 7.375 1.00 0.00 C ATOM 380 CG1 ILE A 25 9.886 7.042 7.978 1.00 0.00 C ATOM 381 CG2 ILE A 25 9.403 9.386 7.220 1.00 0.00 C ATOM 382 CD1 ILE A 25 8.895 6.396 6.998 1.00 0.00 C ATOM 0 H ILE A 25 12.446 6.730 7.086 1.00 0.00 H new ATOM 0 HA ILE A 25 10.308 7.731 5.310 1.00 0.00 H new ATOM 0 HB ILE A 25 11.264 8.702 8.038 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.682 6.336 8.217 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.379 7.279 8.913 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.972 9.611 8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.840 10.291 6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.622 9.017 6.555 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.479 5.492 7.444 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.089 7.097 6.780 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.412 6.140 6.074 1.00 0.00 H new ATOM 394 N HIS A 26 11.320 9.843 4.466 1.00 0.00 N ATOM 395 CA HIS A 26 11.980 11.047 3.878 1.00 0.00 C ATOM 396 C HIS A 26 10.944 12.157 3.726 1.00 0.00 C ATOM 397 O HIS A 26 9.831 11.922 3.306 1.00 0.00 O ATOM 398 CB HIS A 26 12.554 10.688 2.510 1.00 0.00 C ATOM 399 CG HIS A 26 13.316 11.865 1.974 1.00 0.00 C ATOM 400 ND1 HIS A 26 14.444 12.363 2.606 1.00 0.00 N ATOM 401 CD2 HIS A 26 13.124 12.654 0.869 1.00 0.00 C ATOM 402 CE1 HIS A 26 14.883 13.408 1.884 1.00 0.00 C ATOM 403 NE2 HIS A 26 14.114 13.630 0.814 1.00 0.00 N ATOM 0 H HIS A 26 10.448 9.570 4.013 1.00 0.00 H new ATOM 0 HA HIS A 26 12.785 11.386 4.529 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.210 9.821 2.593 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.751 10.416 1.825 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.326 12.536 0.151 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.752 13.997 2.138 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.228 14.358 0.109 1.00 0.00 H new ATOM 411 N LYS A 27 11.299 13.365 4.081 1.00 0.00 N ATOM 412 CA LYS A 27 10.336 14.504 3.982 1.00 0.00 C ATOM 413 C LYS A 27 10.705 15.410 2.808 1.00 0.00 C ATOM 414 O LYS A 27 11.856 15.721 2.585 1.00 0.00 O ATOM 415 CB LYS A 27 10.398 15.317 5.273 1.00 0.00 C ATOM 416 CG LYS A 27 9.229 16.302 5.310 1.00 0.00 C ATOM 417 CD LYS A 27 9.192 17.015 6.667 1.00 0.00 C ATOM 418 CE LYS A 27 10.333 18.036 6.764 1.00 0.00 C ATOM 419 NZ LYS A 27 10.067 18.963 7.901 1.00 0.00 N ATOM 0 H LYS A 27 12.222 13.613 4.438 1.00 0.00 H new ATOM 0 HA LYS A 27 9.332 14.110 3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.356 14.653 6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.344 15.856 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.332 17.033 4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.291 15.773 5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.233 17.518 6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.279 16.285 7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.284 17.524 6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.415 18.597 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.838 19.657 7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.167 19.460 7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.010 18.420 8.786 1.00 0.00 H new ATOM 433 N LYS A 28 9.723 15.846 2.064 1.00 0.00 N ATOM 434 CA LYS A 28 9.986 16.749 0.907 1.00 0.00 C ATOM 435 C LYS A 28 8.832 17.747 0.801 1.00 0.00 C ATOM 436 O LYS A 28 7.762 17.516 1.325 1.00 0.00 O ATOM 437 CB LYS A 28 10.080 15.926 -0.381 1.00 0.00 C ATOM 438 CG LYS A 28 10.721 16.774 -1.484 1.00 0.00 C ATOM 439 CD LYS A 28 10.980 15.911 -2.725 1.00 0.00 C ATOM 440 CE LYS A 28 9.660 15.592 -3.438 1.00 0.00 C ATOM 441 NZ LYS A 28 9.955 15.061 -4.799 1.00 0.00 N ATOM 0 H LYS A 28 8.741 15.612 2.211 1.00 0.00 H new ATOM 0 HA LYS A 28 10.927 17.280 1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.672 15.027 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.087 15.599 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.067 17.607 -1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.657 17.202 -1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.652 16.434 -3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.477 14.985 -2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.090 14.861 -2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.045 16.489 -3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.063 14.843 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.482 15.774 -5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.526 14.195 -4.718 1.00 0.00 H new ATOM 455 N GLU A 29 9.037 18.859 0.140 1.00 0.00 N ATOM 456 CA GLU A 29 7.943 19.876 0.010 1.00 0.00 C ATOM 457 C GLU A 29 7.845 20.359 -1.435 1.00 0.00 C ATOM 458 O GLU A 29 8.832 20.457 -2.137 1.00 0.00 O ATOM 459 CB GLU A 29 8.241 21.059 0.932 1.00 0.00 C ATOM 460 CG GLU A 29 9.570 21.707 0.542 1.00 0.00 C ATOM 461 CD GLU A 29 9.882 22.842 1.519 1.00 0.00 C ATOM 462 OE1 GLU A 29 8.944 23.482 1.969 1.00 0.00 O ATOM 463 OE2 GLU A 29 11.049 23.049 1.804 1.00 0.00 O ATOM 0 H GLU A 29 9.915 19.109 -0.316 1.00 0.00 H new ATOM 0 HA GLU A 29 6.994 19.422 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.437 21.792 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.282 20.722 1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.369 20.966 0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.516 22.092 -0.476 1.00 0.00 H new ATOM 470 N TYR A 30 6.655 20.669 -1.885 1.00 0.00 N ATOM 471 CA TYR A 30 6.484 21.157 -3.290 1.00 0.00 C ATOM 472 C TYR A 30 5.380 22.213 -3.322 1.00 0.00 C ATOM 473 O TYR A 30 4.614 22.355 -2.388 1.00 0.00 O ATOM 474 CB TYR A 30 6.117 19.992 -4.214 1.00 0.00 C ATOM 475 CG TYR A 30 4.749 19.454 -3.860 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.553 18.774 -2.652 1.00 0.00 C ATOM 477 CD2 TYR A 30 3.675 19.631 -4.745 1.00 0.00 C ATOM 478 CE1 TYR A 30 3.287 18.273 -2.328 1.00 0.00 C ATOM 479 CE2 TYR A 30 2.410 19.128 -4.421 1.00 0.00 C ATOM 480 CZ TYR A 30 2.216 18.449 -3.212 1.00 0.00 C ATOM 481 OH TYR A 30 0.969 17.950 -2.894 1.00 0.00 O ATOM 0 H TYR A 30 5.794 20.606 -1.341 1.00 0.00 H new ATOM 0 HA TYR A 30 7.420 21.594 -3.637 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.127 20.325 -5.252 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.861 19.200 -4.126 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.379 18.636 -1.970 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.825 20.156 -5.677 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.136 17.750 -1.395 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.584 19.263 -5.103 1.00 0.00 H new ATOM 0 HH TYR A 30 1.065 17.212 -2.256 1.00 0.00 H new ATOM 491 N GLU A 31 5.311 22.976 -4.377 1.00 0.00 N ATOM 492 CA GLU A 31 4.279 24.051 -4.464 1.00 0.00 C ATOM 493 C GLU A 31 2.943 23.485 -4.955 1.00 0.00 C ATOM 494 O GLU A 31 2.889 22.686 -5.866 1.00 0.00 O ATOM 495 CB GLU A 31 4.771 25.121 -5.439 1.00 0.00 C ATOM 496 CG GLU A 31 4.792 24.553 -6.859 1.00 0.00 C ATOM 497 CD GLU A 31 5.532 25.519 -7.783 1.00 0.00 C ATOM 498 OE1 GLU A 31 6.571 26.016 -7.378 1.00 0.00 O ATOM 499 OE2 GLU A 31 5.049 25.748 -8.880 1.00 0.00 O ATOM 0 H GLU A 31 5.927 22.902 -5.187 1.00 0.00 H new ATOM 0 HA GLU A 31 4.124 24.480 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.119 25.994 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.769 25.454 -5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.282 23.579 -6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.774 24.400 -7.216 1.00 0.00 H new ATOM 506 N SER A 32 1.861 23.917 -4.365 1.00 0.00 N ATOM 507 CA SER A 32 0.519 23.436 -4.798 1.00 0.00 C ATOM 508 C SER A 32 -0.521 24.516 -4.484 1.00 0.00 C ATOM 509 O SER A 32 -0.562 25.047 -3.394 1.00 0.00 O ATOM 510 CB SER A 32 0.169 22.146 -4.054 1.00 0.00 C ATOM 511 OG SER A 32 -1.067 21.646 -4.546 1.00 0.00 O ATOM 0 H SER A 32 1.850 24.587 -3.596 1.00 0.00 H new ATOM 0 HA SER A 32 0.527 23.235 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.957 21.406 -4.194 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.098 22.337 -2.983 1.00 0.00 H new ATOM 0 HG SER A 32 -1.296 20.818 -4.074 1.00 0.00 H new ATOM 517 N ASP A 33 -1.345 24.854 -5.441 1.00 0.00 N ATOM 518 CA ASP A 33 -2.382 25.908 -5.223 1.00 0.00 C ATOM 519 C ASP A 33 -1.697 27.234 -4.877 1.00 0.00 C ATOM 520 O ASP A 33 -2.292 28.119 -4.297 1.00 0.00 O ATOM 521 CB ASP A 33 -3.322 25.494 -4.084 1.00 0.00 C ATOM 522 CG ASP A 33 -4.536 26.425 -4.059 1.00 0.00 C ATOM 523 OD1 ASP A 33 -4.529 27.398 -4.794 1.00 0.00 O ATOM 524 OD2 ASP A 33 -5.455 26.151 -3.304 1.00 0.00 O ATOM 0 H ASP A 33 -1.344 24.441 -6.374 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.967 26.029 -6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.645 24.462 -4.222 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.796 25.539 -3.130 1.00 0.00 H new ATOM 529 N GLY A 34 -0.451 27.383 -5.243 1.00 0.00 N ATOM 530 CA GLY A 34 0.270 28.653 -4.946 1.00 0.00 C ATOM 531 C GLY A 34 0.784 28.617 -3.510 1.00 0.00 C ATOM 532 O GLY A 34 1.169 29.626 -2.961 1.00 0.00 O ATOM 0 H GLY A 34 0.098 26.678 -5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.101 28.783 -5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.397 29.504 -5.085 1.00 0.00 H new ATOM 536 N THR A 35 0.792 27.457 -2.897 1.00 0.00 N ATOM 537 CA THR A 35 1.282 27.348 -1.485 1.00 0.00 C ATOM 538 C THR A 35 2.197 26.133 -1.343 1.00 0.00 C ATOM 539 O THR A 35 2.036 25.138 -2.015 1.00 0.00 O ATOM 540 CB THR A 35 0.081 27.200 -0.551 1.00 0.00 C ATOM 541 OG1 THR A 35 -0.643 26.023 -0.889 1.00 0.00 O ATOM 542 CG2 THR A 35 -0.827 28.421 -0.696 1.00 0.00 C ATOM 0 H THR A 35 0.480 26.580 -3.314 1.00 0.00 H new ATOM 0 HA THR A 35 1.844 28.245 -1.224 1.00 0.00 H new ATOM 0 HB THR A 35 0.428 27.125 0.480 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.301 25.660 -1.733 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.684 28.318 -0.031 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.271 29.321 -0.434 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.174 28.496 -1.727 1.00 0.00 H new ATOM 550 N THR A 36 3.160 26.214 -0.468 1.00 0.00 N ATOM 551 CA THR A 36 4.103 25.077 -0.267 1.00 0.00 C ATOM 552 C THR A 36 3.502 24.081 0.724 1.00 0.00 C ATOM 553 O THR A 36 3.059 24.455 1.791 1.00 0.00 O ATOM 554 CB THR A 36 5.420 25.622 0.285 1.00 0.00 C ATOM 555 OG1 THR A 36 5.926 26.611 -0.601 1.00 0.00 O ATOM 556 CG2 THR A 36 6.435 24.488 0.419 1.00 0.00 C ATOM 0 H THR A 36 3.336 27.027 0.122 1.00 0.00 H new ATOM 0 HA THR A 36 4.281 24.570 -1.215 1.00 0.00 H new ATOM 0 HB THR A 36 5.246 26.063 1.267 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.770 26.964 -0.249 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.372 24.883 0.813 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.046 23.730 1.099 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.612 24.041 -0.559 1.00 0.00 H new ATOM 564 N LYS A 37 3.483 22.813 0.379 1.00 0.00 N ATOM 565 CA LYS A 37 2.909 21.777 1.299 1.00 0.00 C ATOM 566 C LYS A 37 3.945 20.688 1.572 1.00 0.00 C ATOM 567 O LYS A 37 4.720 20.310 0.709 1.00 0.00 O ATOM 568 CB LYS A 37 1.671 21.157 0.657 1.00 0.00 C ATOM 569 CG LYS A 37 0.559 22.203 0.597 1.00 0.00 C ATOM 570 CD LYS A 37 -0.696 21.583 -0.013 1.00 0.00 C ATOM 571 CE LYS A 37 -1.806 22.631 -0.072 1.00 0.00 C ATOM 572 NZ LYS A 37 -3.029 22.024 -0.667 1.00 0.00 N ATOM 0 H LYS A 37 3.842 22.450 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 37 2.634 22.249 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.906 20.801 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.342 20.292 1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.343 22.576 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.881 23.057 0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.480 21.210 -1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.019 20.729 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.022 23.004 0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.484 23.485 -0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.786 22.736 -0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.817 21.688 -1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.339 21.223 -0.081 1.00 0.00 H new ATOM 586 N SER A 38 3.962 20.190 2.779 1.00 0.00 N ATOM 587 CA SER A 38 4.937 19.132 3.151 1.00 0.00 C ATOM 588 C SER A 38 4.406 17.760 2.740 1.00 0.00 C ATOM 589 O SER A 38 3.231 17.469 2.873 1.00 0.00 O ATOM 590 CB SER A 38 5.140 19.160 4.666 1.00 0.00 C ATOM 591 OG SER A 38 5.724 20.402 5.035 1.00 0.00 O ATOM 0 H SER A 38 3.333 20.476 3.530 1.00 0.00 H new ATOM 0 HA SER A 38 5.882 19.314 2.639 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.186 19.027 5.176 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.783 18.336 4.974 1.00 0.00 H new ATOM 0 HG SER A 38 5.855 20.426 6.006 1.00 0.00 H new ATOM 597 N VAL A 39 5.270 16.906 2.260 1.00 0.00 N ATOM 598 CA VAL A 39 4.843 15.536 1.852 1.00 0.00 C ATOM 599 C VAL A 39 5.888 14.534 2.341 1.00 0.00 C ATOM 600 O VAL A 39 7.077 14.767 2.249 1.00 0.00 O ATOM 601 CB VAL A 39 4.715 15.475 0.324 1.00 0.00 C ATOM 602 CG1 VAL A 39 5.947 16.105 -0.326 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.592 14.016 -0.127 1.00 0.00 C ATOM 0 H VAL A 39 6.263 17.101 2.132 1.00 0.00 H new ATOM 0 HA VAL A 39 3.875 15.293 2.291 1.00 0.00 H new ATOM 0 HB VAL A 39 3.825 16.026 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.850 16.059 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.031 17.146 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.840 15.560 -0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.501 13.977 -1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.479 13.463 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.708 13.568 0.327 1.00 0.00 H new ATOM 613 N TYR A 40 5.452 13.421 2.866 1.00 0.00 N ATOM 614 CA TYR A 40 6.406 12.391 3.369 1.00 0.00 C ATOM 615 C TYR A 40 6.503 11.259 2.353 1.00 0.00 C ATOM 616 O TYR A 40 5.507 10.780 1.854 1.00 0.00 O ATOM 617 CB TYR A 40 5.892 11.846 4.699 1.00 0.00 C ATOM 618 CG TYR A 40 5.954 12.944 5.732 1.00 0.00 C ATOM 619 CD1 TYR A 40 4.912 13.875 5.827 1.00 0.00 C ATOM 620 CD2 TYR A 40 7.053 13.030 6.592 1.00 0.00 C ATOM 621 CE1 TYR A 40 4.972 14.893 6.785 1.00 0.00 C ATOM 622 CE2 TYR A 40 7.113 14.049 7.550 1.00 0.00 C ATOM 623 CZ TYR A 40 6.073 14.980 7.647 1.00 0.00 C ATOM 624 OH TYR A 40 6.132 15.984 8.592 1.00 0.00 O ATOM 0 H TYR A 40 4.466 13.179 2.969 1.00 0.00 H new ATOM 0 HA TYR A 40 7.392 12.833 3.512 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.868 11.488 4.590 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.495 10.995 5.016 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.064 13.807 5.162 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.855 12.311 6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.169 15.612 6.860 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.962 14.117 8.214 1.00 0.00 H new ATOM 0 HH TYR A 40 6.961 15.899 9.108 1.00 0.00 H new ATOM 634 N GLN A 41 7.700 10.837 2.039 1.00 0.00 N ATOM 635 CA GLN A 41 7.892 9.739 1.044 1.00 0.00 C ATOM 636 C GLN A 41 8.705 8.621 1.679 1.00 0.00 C ATOM 637 O GLN A 41 9.409 8.823 2.647 1.00 0.00 O ATOM 638 CB GLN A 41 8.644 10.288 -0.168 1.00 0.00 C ATOM 639 CG GLN A 41 7.737 11.251 -0.933 1.00 0.00 C ATOM 640 CD GLN A 41 8.511 11.863 -2.100 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.686 12.144 -1.984 1.00 0.00 O ATOM 642 NE2 GLN A 41 7.896 12.078 -3.231 1.00 0.00 N ATOM 0 H GLN A 41 8.563 11.211 2.434 1.00 0.00 H new ATOM 0 HA GLN A 41 6.923 9.351 0.731 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.550 10.802 0.154 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.956 9.470 -0.818 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.858 10.723 -1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.380 12.037 -0.268 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.909 11.841 -3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.403 12.482 -4.018 1.00 0.00 H new ATOM 651 N GLY A 42 8.613 7.438 1.147 1.00 0.00 N ATOM 652 CA GLY A 42 9.385 6.312 1.731 1.00 0.00 C ATOM 653 C GLY A 42 9.217 5.076 0.859 1.00 0.00 C ATOM 654 O GLY A 42 8.679 5.143 -0.229 1.00 0.00 O ATOM 0 H GLY A 42 8.040 7.203 0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.439 6.579 1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.038 6.106 2.744 1.00 0.00 H new ATOM 658 N TYR A 43 9.676 3.943 1.329 1.00 0.00 N ATOM 659 CA TYR A 43 9.553 2.680 0.537 1.00 0.00 C ATOM 660 C TYR A 43 8.747 1.666 1.332 1.00 0.00 C ATOM 661 O TYR A 43 8.868 1.579 2.538 1.00 0.00 O ATOM 662 CB TYR A 43 10.946 2.119 0.268 1.00 0.00 C ATOM 663 CG TYR A 43 11.660 3.014 -0.714 1.00 0.00 C ATOM 664 CD1 TYR A 43 12.404 4.107 -0.256 1.00 0.00 C ATOM 665 CD2 TYR A 43 11.570 2.751 -2.084 1.00 0.00 C ATOM 666 CE1 TYR A 43 13.062 4.937 -1.171 1.00 0.00 C ATOM 667 CE2 TYR A 43 12.227 3.580 -2.999 1.00 0.00 C ATOM 668 CZ TYR A 43 12.974 4.672 -2.544 1.00 0.00 C ATOM 669 OH TYR A 43 13.622 5.489 -3.448 1.00 0.00 O ATOM 0 H TYR A 43 10.134 3.838 2.234 1.00 0.00 H new ATOM 0 HA TYR A 43 9.051 2.886 -0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.511 2.055 1.198 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.873 1.107 -0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.470 4.310 0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.993 1.908 -2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.637 5.781 -0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.158 3.377 -4.057 1.00 0.00 H new ATOM 0 HH TYR A 43 13.459 5.164 -4.358 1.00 0.00 H new ATOM 679 N ILE A 44 7.927 0.893 0.667 1.00 0.00 N ATOM 680 CA ILE A 44 7.108 -0.135 1.379 1.00 0.00 C ATOM 681 C ILE A 44 7.358 -1.489 0.725 1.00 0.00 C ATOM 682 O ILE A 44 7.475 -1.579 -0.479 1.00 0.00 O ATOM 683 CB ILE A 44 5.627 0.230 1.267 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.802 -0.726 2.129 1.00 0.00 C ATOM 685 CG2 ILE A 44 5.175 0.123 -0.192 1.00 0.00 C ATOM 686 CD1 ILE A 44 3.377 -0.189 2.256 1.00 0.00 C ATOM 0 H ILE A 44 7.789 0.930 -0.343 1.00 0.00 H new ATOM 0 HA ILE A 44 7.384 -0.176 2.433 1.00 0.00 H new ATOM 0 HB ILE A 44 5.481 1.253 1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.790 -1.720 1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.254 -0.827 3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.119 0.384 -0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.762 0.807 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.322 -0.898 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.786 -0.868 2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.400 0.796 2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.928 -0.111 1.266 1.00 0.00 H new ATOM 698 N GLU A 45 7.460 -2.539 1.504 1.00 0.00 N ATOM 699 CA GLU A 45 7.723 -3.896 0.916 1.00 0.00 C ATOM 700 C GLU A 45 6.768 -4.927 1.516 1.00 0.00 C ATOM 701 O GLU A 45 6.235 -4.748 2.592 1.00 0.00 O ATOM 702 CB GLU A 45 9.167 -4.303 1.214 1.00 0.00 C ATOM 703 CG GLU A 45 9.388 -4.370 2.726 1.00 0.00 C ATOM 704 CD GLU A 45 10.862 -4.665 3.005 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.697 -4.143 2.285 1.00 0.00 O ATOM 706 OE2 GLU A 45 11.132 -5.408 3.933 1.00 0.00 O ATOM 0 H GLU A 45 7.373 -2.518 2.520 1.00 0.00 H new ATOM 0 HA GLU A 45 7.564 -3.855 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.381 -5.272 0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.856 -3.585 0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.099 -3.427 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.760 -5.146 3.164 1.00 0.00 H new ATOM 713 N ASP A 46 6.546 -6.006 0.809 1.00 0.00 N ATOM 714 CA ASP A 46 5.619 -7.063 1.309 1.00 0.00 C ATOM 715 C ASP A 46 6.128 -8.435 0.852 1.00 0.00 C ATOM 716 O ASP A 46 7.315 -8.693 0.826 1.00 0.00 O ATOM 717 CB ASP A 46 4.222 -6.822 0.735 1.00 0.00 C ATOM 718 CG ASP A 46 3.200 -7.660 1.505 1.00 0.00 C ATOM 719 OD1 ASP A 46 3.613 -8.606 2.157 1.00 0.00 O ATOM 720 OD2 ASP A 46 2.025 -7.345 1.427 1.00 0.00 O ATOM 0 H ASP A 46 6.970 -6.200 -0.098 1.00 0.00 H new ATOM 0 HA ASP A 46 5.576 -7.032 2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.967 -5.765 0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.202 -7.086 -0.322 1.00 0.00 H new ATOM 725 N ASP A 47 5.234 -9.317 0.500 1.00 0.00 N ATOM 726 CA ASP A 47 5.639 -10.678 0.052 1.00 0.00 C ATOM 727 C ASP A 47 5.911 -10.664 -1.456 1.00 0.00 C ATOM 728 O ASP A 47 6.589 -11.521 -1.981 1.00 0.00 O ATOM 729 CB ASP A 47 4.489 -11.639 0.348 1.00 0.00 C ATOM 730 CG ASP A 47 4.914 -13.076 0.048 1.00 0.00 C ATOM 731 OD1 ASP A 47 6.002 -13.258 -0.475 1.00 0.00 O ATOM 732 OD2 ASP A 47 4.142 -13.972 0.346 1.00 0.00 O ATOM 0 H ASP A 47 4.228 -9.150 0.504 1.00 0.00 H new ATOM 0 HA ASP A 47 6.543 -10.992 0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.191 -11.550 1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.620 -11.375 -0.255 1.00 0.00 H new ATOM 737 N THR A 48 5.376 -9.699 -2.161 1.00 0.00 N ATOM 738 CA THR A 48 5.595 -9.634 -3.638 1.00 0.00 C ATOM 739 C THR A 48 6.829 -8.787 -3.943 1.00 0.00 C ATOM 740 O THR A 48 7.880 -9.300 -4.268 1.00 0.00 O ATOM 741 CB THR A 48 4.372 -8.989 -4.298 1.00 0.00 C ATOM 742 OG1 THR A 48 3.954 -7.880 -3.517 1.00 0.00 O ATOM 743 CG2 THR A 48 3.236 -10.009 -4.393 1.00 0.00 C ATOM 0 H THR A 48 4.796 -8.953 -1.777 1.00 0.00 H new ATOM 0 HA THR A 48 5.743 -10.642 -4.025 1.00 0.00 H new ATOM 0 HB THR A 48 4.633 -8.654 -5.302 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.173 -7.462 -3.935 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.369 -9.545 -4.863 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.561 -10.861 -4.991 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.968 -10.349 -3.393 1.00 0.00 H new ATOM 751 N ALA A 49 6.706 -7.490 -3.856 1.00 0.00 N ATOM 752 CA ALA A 49 7.868 -6.606 -4.159 1.00 0.00 C ATOM 753 C ALA A 49 7.784 -5.337 -3.316 1.00 0.00 C ATOM 754 O ALA A 49 7.295 -5.347 -2.204 1.00 0.00 O ATOM 755 CB ALA A 49 7.839 -6.228 -5.639 1.00 0.00 C ATOM 0 H ALA A 49 5.850 -7.004 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 49 8.793 -7.133 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.687 -5.581 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.898 -7.131 -6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.911 -5.701 -5.862 1.00 0.00 H new ATOM 761 N ARG A 50 8.272 -4.242 -3.840 1.00 0.00 N ATOM 762 CA ARG A 50 8.238 -2.960 -3.077 1.00 0.00 C ATOM 763 C ARG A 50 7.953 -1.801 -4.030 1.00 0.00 C ATOM 764 O ARG A 50 8.161 -1.900 -5.221 1.00 0.00 O ATOM 765 CB ARG A 50 9.596 -2.746 -2.401 1.00 0.00 C ATOM 766 CG ARG A 50 10.697 -2.628 -3.463 1.00 0.00 C ATOM 767 CD ARG A 50 12.059 -2.513 -2.772 1.00 0.00 C ATOM 768 NE ARG A 50 13.126 -2.312 -3.798 1.00 0.00 N ATOM 769 CZ ARG A 50 13.693 -3.338 -4.379 1.00 0.00 C ATOM 770 NH1 ARG A 50 13.327 -4.553 -4.073 1.00 0.00 N ATOM 771 NH2 ARG A 50 14.629 -3.145 -5.269 1.00 0.00 N ATOM 0 H ARG A 50 8.694 -4.181 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 50 7.452 -3.003 -2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.570 -1.843 -1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.813 -3.578 -1.731 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.681 -3.499 -4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.520 -1.755 -4.091 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.053 -1.679 -2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.262 -3.414 -2.193 1.00 0.00 H new ATOM 0 HE ARG A 50 13.415 -1.366 -4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.596 -4.706 -3.378 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.772 -5.350 -4.529 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.916 -2.196 -5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.073 -3.943 -5.724 1.00 0.00 H new ATOM 785 N ILE A 51 7.482 -0.695 -3.518 1.00 0.00 N ATOM 786 CA ILE A 51 7.197 0.469 -4.405 1.00 0.00 C ATOM 787 C ILE A 51 7.310 1.772 -3.610 1.00 0.00 C ATOM 788 O ILE A 51 7.281 1.784 -2.393 1.00 0.00 O ATOM 789 CB ILE A 51 5.790 0.338 -4.995 1.00 0.00 C ATOM 790 CG1 ILE A 51 5.571 1.441 -6.037 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.749 0.474 -3.885 1.00 0.00 C ATOM 792 CD1 ILE A 51 4.311 1.137 -6.847 1.00 0.00 C ATOM 0 H ILE A 51 7.283 -0.548 -2.528 1.00 0.00 H new ATOM 0 HA ILE A 51 7.925 0.486 -5.216 1.00 0.00 H new ATOM 0 HB ILE A 51 5.687 -0.639 -5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.474 2.408 -5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.434 1.507 -6.699 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.750 0.380 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.903 -0.310 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.850 1.449 -3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.156 1.922 -7.587 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.426 0.178 -7.353 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.451 1.094 -6.179 1.00 0.00 H new ATOM 804 N ARG A 52 7.446 2.869 -4.303 1.00 0.00 N ATOM 805 CA ARG A 52 7.566 4.189 -3.626 1.00 0.00 C ATOM 806 C ARG A 52 6.194 4.644 -3.133 1.00 0.00 C ATOM 807 O ARG A 52 5.190 4.433 -3.785 1.00 0.00 O ATOM 808 CB ARG A 52 8.111 5.213 -4.625 1.00 0.00 C ATOM 809 CG ARG A 52 8.305 6.563 -3.927 1.00 0.00 C ATOM 810 CD ARG A 52 8.915 7.567 -4.908 1.00 0.00 C ATOM 811 NE ARG A 52 7.947 7.834 -6.010 1.00 0.00 N ATOM 812 CZ ARG A 52 8.270 8.638 -6.987 1.00 0.00 C ATOM 813 NH1 ARG A 52 9.437 9.223 -6.994 1.00 0.00 N ATOM 814 NH2 ARG A 52 7.423 8.862 -7.954 1.00 0.00 N ATOM 0 H ARG A 52 7.479 2.906 -5.322 1.00 0.00 H new ATOM 0 HA ARG A 52 8.242 4.102 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.059 4.866 -5.036 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.421 5.321 -5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.348 6.934 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.956 6.445 -3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.159 8.495 -4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.847 7.174 -5.315 1.00 0.00 H new ATOM 0 HE ARG A 52 7.030 7.387 -6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.098 9.052 -6.236 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.688 9.851 -7.758 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.509 8.409 -7.947 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.675 9.490 -8.717 1.00 0.00 H new ATOM 828 N ILE A 53 6.146 5.274 -1.987 1.00 0.00 N ATOM 829 CA ILE A 53 4.846 5.764 -1.432 1.00 0.00 C ATOM 830 C ILE A 53 4.981 7.235 -1.045 1.00 0.00 C ATOM 831 O ILE A 53 6.060 7.708 -0.741 1.00 0.00 O ATOM 832 CB ILE A 53 4.481 4.926 -0.202 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.607 5.005 0.843 1.00 0.00 C ATOM 834 CG2 ILE A 53 4.284 3.469 -0.631 1.00 0.00 C ATOM 835 CD1 ILE A 53 5.148 4.344 2.144 1.00 0.00 C ATOM 0 H ILE A 53 6.960 5.472 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 53 4.060 5.667 -2.181 1.00 0.00 H new ATOM 0 HB ILE A 53 3.562 5.312 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.501 4.508 0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.874 6.046 1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.024 2.866 0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.481 3.411 -1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.207 3.092 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.947 4.401 2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.266 4.860 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.903 3.299 1.954 1.00 0.00 H new ATOM 847 N SER A 54 3.892 7.959 -1.048 1.00 0.00 N ATOM 848 CA SER A 54 3.947 9.403 -0.679 1.00 0.00 C ATOM 849 C SER A 54 2.702 9.765 0.121 1.00 0.00 C ATOM 850 O SER A 54 1.596 9.431 -0.253 1.00 0.00 O ATOM 851 CB SER A 54 4.004 10.251 -1.948 1.00 0.00 C ATOM 852 OG SER A 54 2.911 9.907 -2.789 1.00 0.00 O ATOM 0 H SER A 54 2.965 7.610 -1.291 1.00 0.00 H new ATOM 0 HA SER A 54 4.836 9.594 -0.077 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.964 11.310 -1.694 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.946 10.084 -2.470 1.00 0.00 H new ATOM 0 HG SER A 54 3.028 10.328 -3.666 1.00 0.00 H new ATOM 858 N SER A 55 2.879 10.448 1.223 1.00 0.00 N ATOM 859 CA SER A 55 1.718 10.852 2.076 1.00 0.00 C ATOM 860 C SER A 55 1.667 12.374 2.163 1.00 0.00 C ATOM 861 O SER A 55 2.650 13.022 2.460 1.00 0.00 O ATOM 862 CB SER A 55 1.895 10.255 3.471 1.00 0.00 C ATOM 863 OG SER A 55 0.911 10.798 4.340 1.00 0.00 O ATOM 0 H SER A 55 3.789 10.747 1.573 1.00 0.00 H new ATOM 0 HA SER A 55 0.787 10.487 1.642 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.802 9.170 3.430 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.893 10.475 3.850 1.00 0.00 H new ATOM 0 HG SER A 55 1.278 11.581 4.801 1.00 0.00 H new ATOM 869 N PHE A 56 0.530 12.957 1.887 1.00 0.00 N ATOM 870 CA PHE A 56 0.421 14.445 1.930 1.00 0.00 C ATOM 871 C PHE A 56 -0.054 14.906 3.311 1.00 0.00 C ATOM 872 O PHE A 56 -1.108 14.524 3.776 1.00 0.00 O ATOM 873 CB PHE A 56 -0.581 14.899 0.869 1.00 0.00 C ATOM 874 CG PHE A 56 0.011 14.662 -0.500 1.00 0.00 C ATOM 875 CD1 PHE A 56 1.111 15.417 -0.921 1.00 0.00 C ATOM 876 CD2 PHE A 56 -0.530 13.684 -1.344 1.00 0.00 C ATOM 877 CE1 PHE A 56 1.669 15.198 -2.186 1.00 0.00 C ATOM 878 CE2 PHE A 56 0.029 13.464 -2.609 1.00 0.00 C ATOM 879 CZ PHE A 56 1.129 14.221 -3.029 1.00 0.00 C ATOM 0 H PHE A 56 -0.328 12.467 1.634 1.00 0.00 H new ATOM 0 HA PHE A 56 1.400 14.882 1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.516 14.349 0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.815 15.955 1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.530 16.169 -0.269 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.378 13.100 -1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.516 15.783 -2.511 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.388 12.710 -3.260 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.561 14.051 -4.004 1.00 0.00 H new ATOM 889 N GLY A 57 0.712 15.744 3.959 1.00 0.00 N ATOM 890 CA GLY A 57 0.302 16.253 5.298 1.00 0.00 C ATOM 891 C GLY A 57 0.554 15.192 6.370 1.00 0.00 C ATOM 892 O GLY A 57 1.158 15.460 7.387 1.00 0.00 O ATOM 0 H GLY A 57 1.605 16.098 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.859 17.159 5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.754 16.522 5.284 1.00 0.00 H new ATOM 896 N LYS A 58 0.083 13.994 6.166 1.00 0.00 N ATOM 897 CA LYS A 58 0.281 12.936 7.194 1.00 0.00 C ATOM 898 C LYS A 58 1.708 12.384 7.139 1.00 0.00 C ATOM 899 O LYS A 58 2.238 12.094 6.085 1.00 0.00 O ATOM 900 CB LYS A 58 -0.727 11.818 6.946 1.00 0.00 C ATOM 901 CG LYS A 58 -2.128 12.347 7.250 1.00 0.00 C ATOM 902 CD LYS A 58 -3.159 11.245 7.016 1.00 0.00 C ATOM 903 CE LYS A 58 -4.545 11.756 7.411 1.00 0.00 C ATOM 904 NZ LYS A 58 -4.912 12.915 6.549 1.00 0.00 N ATOM 0 H LYS A 58 -0.429 13.702 5.334 1.00 0.00 H new ATOM 0 HA LYS A 58 0.127 13.362 8.185 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.667 11.478 5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.502 10.959 7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.180 12.693 8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.349 13.205 6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.155 10.944 5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.904 10.362 7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.282 10.960 7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.549 12.053 8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.940 12.917 6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.633 13.800 7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.420 12.838 5.636 1.00 0.00 H new ATOM 918 N GLN A 59 2.331 12.243 8.281 1.00 0.00 N ATOM 919 CA GLN A 59 3.729 11.719 8.336 1.00 0.00 C ATOM 920 C GLN A 59 3.715 10.202 8.543 1.00 0.00 C ATOM 921 O GLN A 59 2.736 9.638 8.990 1.00 0.00 O ATOM 922 CB GLN A 59 4.465 12.392 9.496 1.00 0.00 C ATOM 923 CG GLN A 59 3.731 12.101 10.807 1.00 0.00 C ATOM 924 CD GLN A 59 4.414 12.861 11.947 1.00 0.00 C ATOM 925 OE1 GLN A 59 5.202 13.752 11.708 1.00 0.00 O ATOM 926 NE2 GLN A 59 4.144 12.546 13.184 1.00 0.00 N ATOM 0 H GLN A 59 1.925 12.471 9.189 1.00 0.00 H new ATOM 0 HA GLN A 59 4.237 11.938 7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.490 12.025 9.552 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.521 13.468 9.330 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.687 12.403 10.727 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.739 11.030 11.012 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.482 11.797 13.387 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.595 13.049 13.948 1.00 0.00 H new ATOM 935 N LEU A 60 4.802 9.542 8.217 1.00 0.00 N ATOM 936 CA LEU A 60 4.883 8.053 8.381 1.00 0.00 C ATOM 937 C LEU A 60 6.051 7.711 9.305 1.00 0.00 C ATOM 938 O LEU A 60 7.002 8.458 9.415 1.00 0.00 O ATOM 939 CB LEU A 60 5.116 7.409 7.015 1.00 0.00 C ATOM 940 CG LEU A 60 3.984 7.799 6.059 1.00 0.00 C ATOM 941 CD1 LEU A 60 4.256 7.183 4.684 1.00 0.00 C ATOM 942 CD2 LEU A 60 2.634 7.291 6.598 1.00 0.00 C ATOM 0 H LEU A 60 5.645 9.975 7.841 1.00 0.00 H new ATOM 0 HA LEU A 60 3.954 7.679 8.810 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.075 7.732 6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.162 6.325 7.117 1.00 0.00 H new ATOM 0 HG LEU A 60 3.940 8.885 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.454 7.456 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.205 7.556 4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.302 6.098 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.838 7.574 5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.664 6.205 6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.443 7.733 7.576 1.00 0.00 H new ATOM 954 N GLN A 61 5.978 6.591 9.980 1.00 0.00 N ATOM 955 CA GLN A 61 7.073 6.196 10.920 1.00 0.00 C ATOM 956 C GLN A 61 7.965 5.129 10.279 1.00 0.00 C ATOM 957 O GLN A 61 7.525 4.320 9.487 1.00 0.00 O ATOM 958 CB GLN A 61 6.447 5.644 12.200 1.00 0.00 C ATOM 959 CG GLN A 61 5.782 6.790 12.964 1.00 0.00 C ATOM 960 CD GLN A 61 5.107 6.247 14.222 1.00 0.00 C ATOM 961 OE1 GLN A 61 5.696 5.486 14.961 1.00 0.00 O ATOM 962 NE2 GLN A 61 3.884 6.609 14.499 1.00 0.00 N ATOM 0 H GLN A 61 5.204 5.930 9.920 1.00 0.00 H new ATOM 0 HA GLN A 61 7.686 7.067 11.150 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.712 4.876 11.959 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.210 5.172 12.819 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.526 7.540 13.234 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.046 7.284 12.329 1.00 0.00 H new ATOM 0 HE21 GLN A 61 3.388 7.249 13.878 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.424 6.252 15.336 1.00 0.00 H new ATOM 971 N ASP A 62 9.225 5.150 10.611 1.00 0.00 N ATOM 972 CA ASP A 62 10.197 4.178 10.030 1.00 0.00 C ATOM 973 C ASP A 62 9.921 2.747 10.494 1.00 0.00 C ATOM 974 O ASP A 62 9.657 2.485 11.650 1.00 0.00 O ATOM 975 CB ASP A 62 11.605 4.592 10.459 1.00 0.00 C ATOM 976 CG ASP A 62 12.640 3.646 9.850 1.00 0.00 C ATOM 977 OD1 ASP A 62 12.239 2.655 9.261 1.00 0.00 O ATOM 978 OD2 ASP A 62 13.818 3.928 9.983 1.00 0.00 O ATOM 0 H ASP A 62 9.631 5.812 11.273 1.00 0.00 H new ATOM 0 HA ASP A 62 10.098 4.193 8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.804 5.615 10.140 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.682 4.576 11.546 1.00 0.00 H new ATOM 983 N SER A 63 10.008 1.822 9.579 1.00 0.00 N ATOM 984 CA SER A 63 9.787 0.387 9.900 1.00 0.00 C ATOM 985 C SER A 63 8.504 0.203 10.700 1.00 0.00 C ATOM 986 O SER A 63 8.522 0.058 11.905 1.00 0.00 O ATOM 987 CB SER A 63 10.979 -0.153 10.692 1.00 0.00 C ATOM 988 OG SER A 63 12.156 -0.023 9.905 1.00 0.00 O ATOM 0 H SER A 63 10.228 2.007 8.600 1.00 0.00 H new ATOM 0 HA SER A 63 9.690 -0.167 8.966 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.089 0.396 11.627 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.815 -1.198 10.953 1.00 0.00 H new ATOM 0 HG SER A 63 12.333 0.926 9.735 1.00 0.00 H new ATOM 994 N ASP A 64 7.386 0.191 10.028 1.00 0.00 N ATOM 995 CA ASP A 64 6.086 -0.006 10.740 1.00 0.00 C ATOM 996 C ASP A 64 5.065 -0.650 9.795 1.00 0.00 C ATOM 997 O ASP A 64 4.818 -0.171 8.705 1.00 0.00 O ATOM 998 CB ASP A 64 5.555 1.340 11.243 1.00 0.00 C ATOM 999 CG ASP A 64 5.369 2.296 10.067 1.00 0.00 C ATOM 1000 OD1 ASP A 64 5.856 1.985 8.994 1.00 0.00 O ATOM 1001 OD2 ASP A 64 4.742 3.326 10.259 1.00 0.00 O ATOM 0 H ASP A 64 7.314 0.309 9.017 1.00 0.00 H new ATOM 0 HA ASP A 64 6.246 -0.665 11.593 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.606 1.196 11.760 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.250 1.768 11.965 1.00 0.00 H new ATOM 1006 N VAL A 65 4.479 -1.745 10.207 1.00 0.00 N ATOM 1007 CA VAL A 65 3.477 -2.434 9.342 1.00 0.00 C ATOM 1008 C VAL A 65 2.132 -1.731 9.473 1.00 0.00 C ATOM 1009 O VAL A 65 1.574 -1.635 10.547 1.00 0.00 O ATOM 1010 CB VAL A 65 3.344 -3.892 9.785 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.582 -4.683 8.720 1.00 0.00 C ATOM 1012 CG2 VAL A 65 4.740 -4.494 9.967 1.00 0.00 C ATOM 0 H VAL A 65 4.652 -2.192 11.107 1.00 0.00 H new ATOM 0 HA VAL A 65 3.802 -2.401 8.302 1.00 0.00 H new ATOM 0 HB VAL A 65 2.799 -3.939 10.728 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.488 -5.722 9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.589 -4.252 8.588 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.125 -4.639 7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.650 -5.533 10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.282 -4.448 9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.283 -3.930 10.725 1.00 0.00 H new ATOM 1022 N VAL A 66 1.606 -1.227 8.383 1.00 0.00 N ATOM 1023 CA VAL A 66 0.291 -0.516 8.438 1.00 0.00 C ATOM 1024 C VAL A 66 -0.578 -0.900 7.240 1.00 0.00 C ATOM 1025 O VAL A 66 -0.110 -1.443 6.249 1.00 0.00 O ATOM 1026 CB VAL A 66 0.529 0.997 8.446 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.590 1.338 9.495 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.023 1.450 7.069 1.00 0.00 C ATOM 0 H VAL A 66 2.031 -1.278 7.457 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.230 -0.808 9.350 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.405 1.506 8.684 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.761 2.414 9.503 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.245 1.018 10.478 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.520 0.824 9.252 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.191 2.527 7.079 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.956 0.939 6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.274 1.207 6.316 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.849 -0.608 7.341 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.813 -0.915 6.247 1.00 0.00 C ATOM 1040 C ARG A 67 -3.371 0.394 5.698 1.00 0.00 C ATOM 1041 O ARG A 67 -3.925 1.193 6.427 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.951 -1.767 6.826 1.00 0.00 C ATOM 1043 CG ARG A 67 -5.077 -1.935 5.797 1.00 0.00 C ATOM 1044 CD ARG A 67 -6.123 -2.902 6.348 1.00 0.00 C ATOM 1045 NE ARG A 67 -7.125 -3.197 5.286 1.00 0.00 N ATOM 1046 CZ ARG A 67 -8.243 -3.799 5.588 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -8.500 -4.115 6.827 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -9.104 -4.079 4.649 1.00 0.00 N ATOM 0 H ARG A 67 -2.267 -0.159 8.156 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.320 -1.460 5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.568 -2.745 7.117 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.342 -1.296 7.728 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.535 -0.970 5.581 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.674 -2.314 4.858 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.645 -3.824 6.680 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.615 -2.467 7.218 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.937 -2.928 4.320 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.827 -3.892 7.560 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.374 -4.585 7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.903 -3.828 3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.978 -4.549 4.883 1.00 0.00 H new ATOM 1062 N ILE A 68 -3.237 0.614 4.415 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.767 1.870 3.798 1.00 0.00 C ATOM 1064 C ILE A 68 -4.974 1.523 2.934 1.00 0.00 C ATOM 1065 O ILE A 68 -4.895 0.695 2.049 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.678 2.508 2.934 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.474 2.846 3.815 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -3.217 3.790 2.301 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.289 3.252 2.938 1.00 0.00 C ATOM 0 H ILE A 68 -2.781 -0.025 3.764 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.064 2.573 4.576 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.378 1.814 2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.728 3.657 4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.207 1.985 4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.442 4.246 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.081 3.554 1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.513 4.487 3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.566 3.492 3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.029 2.428 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.558 4.126 2.345 1.00 0.00 H new ATOM 1081 N ASP A 69 -6.095 2.153 3.188 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.331 1.874 2.391 1.00 0.00 C ATOM 1083 C ASP A 69 -7.682 3.091 1.535 1.00 0.00 C ATOM 1084 O ASP A 69 -7.485 4.221 1.942 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.494 1.579 3.339 1.00 0.00 C ATOM 1086 CG ASP A 69 -8.287 0.216 4.002 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -7.436 -0.526 3.536 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -8.984 -0.061 4.965 1.00 0.00 O ATOM 0 H ASP A 69 -6.208 2.855 3.920 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.152 1.014 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.562 2.357 4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.435 1.587 2.789 1.00 0.00 H new ATOM 1093 N ASN A 70 -8.197 2.857 0.351 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.567 3.976 -0.566 1.00 0.00 C ATOM 1095 C ASN A 70 -7.301 4.724 -0.984 1.00 0.00 C ATOM 1096 O ASN A 70 -7.296 5.927 -1.137 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.539 4.936 0.135 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.233 5.819 -0.907 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.528 5.374 -1.997 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.507 7.062 -0.613 1.00 0.00 N ATOM 0 H ASN A 70 -8.378 1.925 -0.021 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.058 3.571 -1.451 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.281 4.370 0.699 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.000 5.557 0.851 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.969 7.659 -1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.259 7.436 0.303 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.228 4.004 -1.185 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.954 4.646 -1.609 1.00 0.00 C ATOM 1109 C ALA A 71 -5.104 5.155 -3.039 1.00 0.00 C ATOM 1110 O ALA A 71 -5.740 4.524 -3.859 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.824 3.615 -1.552 1.00 0.00 C ATOM 0 H ALA A 71 -6.182 2.991 -1.072 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.721 5.478 -0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.889 4.082 -1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.723 3.242 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.054 2.785 -2.221 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.522 6.286 -3.346 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.631 6.846 -4.727 1.00 0.00 C ATOM 1119 C ARG A 72 -3.396 6.451 -5.538 1.00 0.00 C ATOM 1120 O ARG A 72 -2.273 6.684 -5.139 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.730 8.371 -4.635 1.00 0.00 C ATOM 1122 CG ARG A 72 -5.151 8.942 -5.989 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.361 10.454 -5.863 1.00 0.00 C ATOM 1124 NE ARG A 72 -4.064 11.107 -5.527 1.00 0.00 N ATOM 1125 CZ ARG A 72 -4.021 12.386 -5.261 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -5.116 13.097 -5.284 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -2.883 12.951 -4.969 1.00 0.00 N ATOM 0 H ARG A 72 -3.973 6.849 -2.696 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.519 6.451 -5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.453 8.653 -3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.769 8.790 -4.335 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.387 8.731 -6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.070 8.463 -6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.753 10.857 -6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.099 10.667 -5.090 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.207 10.554 -5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.007 12.654 -5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.081 14.095 -5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.028 12.395 -4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.848 13.949 -4.761 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.598 5.844 -6.676 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.443 5.419 -7.517 1.00 0.00 C ATOM 1143 C VAL A 73 -1.994 6.578 -8.403 1.00 0.00 C ATOM 1144 O VAL A 73 -2.788 7.196 -9.083 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.872 4.243 -8.394 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.655 3.670 -9.128 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -3.489 3.160 -7.508 1.00 0.00 C ATOM 0 H VAL A 73 -4.517 5.624 -7.061 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.615 5.120 -6.875 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.603 4.583 -9.128 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.967 2.832 -9.751 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.211 4.443 -9.755 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.920 3.327 -8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.798 2.317 -8.126 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.753 2.824 -6.778 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.357 3.566 -6.988 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.724 6.868 -8.411 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.210 7.978 -9.263 1.00 0.00 C ATOM 1159 C ALA A 74 1.159 7.589 -9.801 1.00 0.00 C ATOM 1160 O ALA A 74 1.951 6.982 -9.109 1.00 0.00 O ATOM 1161 CB ALA A 74 -0.085 9.252 -8.426 1.00 0.00 C ATOM 0 H ALA A 74 -0.015 6.382 -7.862 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.898 8.159 -10.089 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.291 10.062 -9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.063 9.524 -8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.606 9.079 -7.601 1.00 0.00 H new ATOM 1167 N GLN A 75 1.442 7.928 -11.032 1.00 0.00 N ATOM 1168 CA GLN A 75 2.765 7.576 -11.634 1.00 0.00 C ATOM 1169 C GLN A 75 3.528 8.855 -11.960 1.00 0.00 C ATOM 1170 O GLN A 75 2.969 9.810 -12.456 1.00 0.00 O ATOM 1171 CB GLN A 75 2.540 6.772 -12.917 1.00 0.00 C ATOM 1172 CG GLN A 75 1.945 7.673 -14.018 1.00 0.00 C ATOM 1173 CD GLN A 75 3.063 8.274 -14.874 1.00 0.00 C ATOM 1174 OE1 GLN A 75 3.370 9.443 -14.764 1.00 0.00 O ATOM 1175 NE2 GLN A 75 3.687 7.513 -15.730 1.00 0.00 N ATOM 0 H GLN A 75 0.810 8.437 -11.651 1.00 0.00 H new ATOM 0 HA GLN A 75 3.342 6.979 -10.928 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.484 6.346 -13.257 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.867 5.938 -12.718 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.269 7.093 -14.646 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.355 8.470 -13.566 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.429 6.531 -15.822 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.433 7.900 -16.307 1.00 0.00 H new ATOM 1184 N PHE A 76 4.805 8.878 -11.684 1.00 0.00 N ATOM 1185 CA PHE A 76 5.626 10.093 -11.974 1.00 0.00 C ATOM 1186 C PHE A 76 6.914 9.693 -12.695 1.00 0.00 C ATOM 1187 O PHE A 76 7.574 8.740 -12.333 1.00 0.00 O ATOM 1188 CB PHE A 76 5.952 10.800 -10.659 1.00 0.00 C ATOM 1189 CG PHE A 76 4.674 11.358 -10.081 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.110 12.517 -10.626 1.00 0.00 C ATOM 1191 CD2 PHE A 76 4.046 10.714 -9.006 1.00 0.00 C ATOM 1192 CE1 PHE A 76 2.920 13.033 -10.099 1.00 0.00 C ATOM 1193 CE2 PHE A 76 2.855 11.231 -8.479 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.294 12.391 -9.025 1.00 0.00 C ATOM 0 H PHE A 76 5.319 8.102 -11.267 1.00 0.00 H new ATOM 0 HA PHE A 76 5.066 10.770 -12.619 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.411 10.102 -9.958 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.672 11.601 -10.829 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.593 13.014 -11.454 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.480 9.820 -8.584 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.485 13.927 -10.522 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.370 10.734 -7.652 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.377 12.791 -8.617 1.00 0.00 H new ATOM 1204 N ASN A 77 7.265 10.423 -13.721 1.00 0.00 N ATOM 1205 CA ASN A 77 8.501 10.114 -14.495 1.00 0.00 C ATOM 1206 C ASN A 77 8.427 8.685 -15.036 1.00 0.00 C ATOM 1207 O ASN A 77 9.431 8.064 -15.320 1.00 0.00 O ATOM 1208 CB ASN A 77 9.734 10.279 -13.600 1.00 0.00 C ATOM 1209 CG ASN A 77 10.995 10.235 -14.465 1.00 0.00 C ATOM 1210 OD1 ASN A 77 11.002 10.738 -15.569 1.00 0.00 O ATOM 1211 ND2 ASN A 77 12.069 9.650 -14.009 1.00 0.00 N ATOM 0 H ASN A 77 6.740 11.230 -14.059 1.00 0.00 H new ATOM 0 HA ASN A 77 8.583 10.806 -15.333 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.682 11.225 -13.060 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.764 9.486 -12.852 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.913 9.616 -14.581 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.064 9.227 -13.081 1.00 0.00 H new ATOM 1218 N GLY A 78 7.239 8.165 -15.206 1.00 0.00 N ATOM 1219 CA GLY A 78 7.100 6.783 -15.747 1.00 0.00 C ATOM 1220 C GLY A 78 7.320 5.766 -14.628 1.00 0.00 C ATOM 1221 O GLY A 78 7.840 4.694 -14.853 1.00 0.00 O ATOM 0 H GLY A 78 6.361 8.638 -14.993 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.109 6.651 -16.182 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.823 6.621 -16.546 1.00 0.00 H new ATOM 1225 N TYR A 79 6.925 6.092 -13.421 1.00 0.00 N ATOM 1226 CA TYR A 79 7.110 5.137 -12.280 1.00 0.00 C ATOM 1227 C TYR A 79 5.864 5.143 -11.406 1.00 0.00 C ATOM 1228 O TYR A 79 5.468 6.162 -10.887 1.00 0.00 O ATOM 1229 CB TYR A 79 8.322 5.566 -11.455 1.00 0.00 C ATOM 1230 CG TYR A 79 9.575 5.261 -12.234 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.181 4.006 -12.113 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.126 6.227 -13.078 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.342 3.718 -12.838 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.288 5.941 -13.806 1.00 0.00 C ATOM 1235 CZ TYR A 79 11.895 4.685 -13.686 1.00 0.00 C ATOM 1236 OH TYR A 79 13.039 4.400 -14.401 1.00 0.00 O ATOM 0 H TYR A 79 6.482 6.978 -13.175 1.00 0.00 H new ATOM 0 HA TYR A 79 7.272 4.131 -12.666 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.267 6.631 -11.231 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.334 5.040 -10.501 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.753 3.260 -11.460 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.656 7.195 -13.170 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.812 2.750 -12.744 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.715 6.688 -14.459 1.00 0.00 H new ATOM 0 HH TYR A 79 13.289 5.178 -14.941 1.00 0.00 H new ATOM 1246 N LEU A 80 5.242 4.009 -11.247 1.00 0.00 N ATOM 1247 CA LEU A 80 4.005 3.938 -10.421 1.00 0.00 C ATOM 1248 C LEU A 80 4.330 4.193 -8.950 1.00 0.00 C ATOM 1249 O LEU A 80 5.356 3.785 -8.448 1.00 0.00 O ATOM 1250 CB LEU A 80 3.389 2.543 -10.565 1.00 0.00 C ATOM 1251 CG LEU A 80 3.243 2.191 -12.050 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.468 0.884 -12.196 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.507 3.310 -12.795 1.00 0.00 C ATOM 0 H LEU A 80 5.539 3.123 -11.656 1.00 0.00 H new ATOM 0 HA LEU A 80 3.304 4.699 -10.764 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.017 1.805 -10.067 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.415 2.513 -10.077 1.00 0.00 H new ATOM 0 HG LEU A 80 4.238 2.076 -12.481 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.366 0.637 -13.253 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.005 0.084 -11.687 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.478 0.996 -11.753 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.412 3.045 -13.848 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.515 3.443 -12.363 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.070 4.239 -12.705 1.00 0.00 H new ATOM 1265 N SER A 81 3.448 4.859 -8.258 1.00 0.00 N ATOM 1266 CA SER A 81 3.675 5.141 -6.814 1.00 0.00 C ATOM 1267 C SER A 81 2.319 5.283 -6.128 1.00 0.00 C ATOM 1268 O SER A 81 1.334 5.615 -6.756 1.00 0.00 O ATOM 1269 CB SER A 81 4.470 6.438 -6.663 1.00 0.00 C ATOM 1270 OG SER A 81 5.717 6.303 -7.332 1.00 0.00 O ATOM 0 H SER A 81 2.573 5.223 -8.635 1.00 0.00 H new ATOM 0 HA SER A 81 4.239 4.327 -6.358 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.908 7.273 -7.081 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.632 6.659 -5.608 1.00 0.00 H new ATOM 0 HG SER A 81 5.622 6.595 -8.263 1.00 0.00 H new ATOM 1276 N LEU A 82 2.251 5.023 -4.850 1.00 0.00 N ATOM 1277 CA LEU A 82 0.947 5.131 -4.128 1.00 0.00 C ATOM 1278 C LEU A 82 0.902 6.434 -3.341 1.00 0.00 C ATOM 1279 O LEU A 82 1.783 6.732 -2.561 1.00 0.00 O ATOM 1280 CB LEU A 82 0.820 3.948 -3.171 1.00 0.00 C ATOM 1281 CG LEU A 82 0.958 2.639 -3.959 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.862 1.454 -2.994 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.158 2.537 -5.017 1.00 0.00 C ATOM 0 H LEU A 82 3.043 4.740 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 82 0.124 5.122 -4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.589 4.005 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.143 3.979 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 82 1.924 2.624 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.960 0.522 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.661 1.521 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.103 1.474 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.050 1.604 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.130 2.556 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.084 3.378 -5.706 1.00 0.00 H new ATOM 1295 N SER A 83 -0.126 7.216 -3.549 1.00 0.00 N ATOM 1296 CA SER A 83 -0.261 8.516 -2.831 1.00 0.00 C ATOM 1297 C SER A 83 -1.355 8.400 -1.770 1.00 0.00 C ATOM 1298 O SER A 83 -2.476 8.027 -2.056 1.00 0.00 O ATOM 1299 CB SER A 83 -0.631 9.600 -3.840 1.00 0.00 C ATOM 1300 OG SER A 83 0.527 9.948 -4.588 1.00 0.00 O ATOM 0 H SER A 83 -0.887 7.005 -4.195 1.00 0.00 H new ATOM 0 HA SER A 83 0.680 8.774 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.417 9.243 -4.506 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.024 10.476 -3.325 1.00 0.00 H new ATOM 0 HG SER A 83 1.327 9.784 -4.047 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.036 8.714 -0.544 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.047 8.626 0.551 1.00 0.00 C ATOM 1308 C VAL A 84 -2.615 10.022 0.812 1.00 0.00 C ATOM 1309 O VAL A 84 -1.942 10.889 1.333 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.356 8.094 1.808 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.394 7.750 2.871 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.555 6.841 1.443 1.00 0.00 C ATOM 0 H VAL A 84 -0.112 9.030 -0.251 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.861 7.956 0.273 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.688 8.858 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.891 7.372 3.761 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.963 8.644 3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.071 6.988 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.059 6.454 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.228 6.082 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.193 7.093 0.691 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.845 10.249 0.430 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.468 11.593 0.626 1.00 0.00 C ATOM 1324 C GLY A 85 -5.198 11.660 1.970 1.00 0.00 C ATOM 1325 O GLY A 85 -5.235 10.708 2.721 1.00 0.00 O ATOM 0 H GLY A 85 -4.449 9.556 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.700 12.365 0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.168 11.797 -0.184 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.786 12.788 2.267 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.525 12.943 3.551 1.00 0.00 C ATOM 1331 C ASP A 86 -7.772 12.057 3.534 1.00 0.00 C ATOM 1332 O ASP A 86 -8.321 11.724 4.564 1.00 0.00 O ATOM 1333 CB ASP A 86 -6.936 14.405 3.723 1.00 0.00 C ATOM 1334 CG ASP A 86 -7.744 14.855 2.504 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -8.127 14.000 1.724 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -7.966 16.047 2.371 1.00 0.00 O ATOM 0 H ASP A 86 -5.785 13.615 1.669 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.884 12.645 4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.530 14.523 4.630 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.051 15.031 3.838 1.00 0.00 H new ATOM 1341 N SER A 87 -8.228 11.678 2.375 1.00 0.00 N ATOM 1342 CA SER A 87 -9.441 10.822 2.299 1.00 0.00 C ATOM 1343 C SER A 87 -9.045 9.365 2.545 1.00 0.00 C ATOM 1344 O SER A 87 -9.884 8.497 2.673 1.00 0.00 O ATOM 1345 CB SER A 87 -10.049 10.951 0.904 1.00 0.00 C ATOM 1346 OG SER A 87 -9.118 10.462 -0.054 1.00 0.00 O ATOM 0 H SER A 87 -7.813 11.924 1.477 1.00 0.00 H new ATOM 0 HA SER A 87 -10.166 11.135 3.050 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.980 10.388 0.846 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.293 11.992 0.694 1.00 0.00 H new ATOM 0 HG SER A 87 -9.502 10.540 -0.952 1.00 0.00 H new ATOM 1352 N SER A 88 -7.771 9.089 2.611 1.00 0.00 N ATOM 1353 CA SER A 88 -7.320 7.689 2.845 1.00 0.00 C ATOM 1354 C SER A 88 -7.413 7.353 4.331 1.00 0.00 C ATOM 1355 O SER A 88 -7.414 8.226 5.174 1.00 0.00 O ATOM 1356 CB SER A 88 -5.871 7.538 2.386 1.00 0.00 C ATOM 1357 OG SER A 88 -5.410 6.235 2.718 1.00 0.00 O ATOM 0 H SER A 88 -7.022 9.775 2.513 1.00 0.00 H new ATOM 0 HA SER A 88 -7.959 7.010 2.281 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.799 7.699 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.245 8.291 2.864 1.00 0.00 H new ATOM 0 HG SER A 88 -6.088 5.574 2.466 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.477 6.084 4.656 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.557 5.661 6.092 1.00 0.00 C ATOM 1365 C ARG A 89 -6.322 4.829 6.427 1.00 0.00 C ATOM 1366 O ARG A 89 -6.002 3.882 5.738 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.817 4.817 6.301 1.00 0.00 C ATOM 1368 CG ARG A 89 -9.083 4.649 7.799 1.00 0.00 C ATOM 1369 CD ARG A 89 -10.391 3.876 7.998 1.00 0.00 C ATOM 1370 NE ARG A 89 -10.223 2.479 7.502 1.00 0.00 N ATOM 1371 CZ ARG A 89 -11.256 1.683 7.411 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -12.445 2.115 7.733 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -11.099 0.457 6.995 1.00 0.00 N ATOM 0 H ARG A 89 -7.477 5.317 3.984 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.599 6.537 6.739 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.671 5.296 5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.694 3.841 5.832 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.257 4.115 8.269 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.147 5.625 8.280 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.665 3.868 9.053 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.202 4.369 7.462 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.298 2.144 7.233 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.569 3.075 8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.250 1.493 7.662 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.171 0.120 6.741 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.905 -0.165 6.924 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.621 5.181 7.477 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.391 4.420 7.865 1.00 0.00 C ATOM 1389 C ILE A 90 -4.635 3.684 9.177 1.00 0.00 C ATOM 1390 O ILE A 90 -5.096 4.257 10.143 1.00 0.00 O ATOM 1391 CB ILE A 90 -3.229 5.395 8.038 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.946 6.074 6.696 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -1.988 4.630 8.497 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.942 7.211 6.891 1.00 0.00 C ATOM 0 H ILE A 90 -5.849 5.967 8.086 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.151 3.697 7.086 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.484 6.147 8.784 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.552 5.347 5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.872 6.463 6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.157 5.325 8.621 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.195 4.138 9.448 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.726 3.881 7.750 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.745 7.690 5.932 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.353 7.944 7.585 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.012 6.810 7.294 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.324 2.414 9.213 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.525 1.612 10.458 1.00 0.00 C ATOM 1408 C GLU A 91 -3.234 0.853 10.761 1.00 0.00 C ATOM 1409 O GLU A 91 -2.820 -0.008 10.013 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.671 0.622 10.234 1.00 0.00 C ATOM 1411 CG GLU A 91 -5.995 -0.100 11.544 1.00 0.00 C ATOM 1412 CD GLU A 91 -6.631 0.887 12.525 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -6.933 1.995 12.109 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -6.813 0.517 13.672 1.00 0.00 O ATOM 0 H GLU A 91 -3.936 1.893 8.426 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.773 2.263 11.296 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.553 1.149 9.871 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.394 -0.102 9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.675 -0.931 11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.087 -0.522 11.974 1.00 0.00 H new ATOM 1421 N SER A 92 -2.588 1.174 11.847 1.00 0.00 N ATOM 1422 CA SER A 92 -1.320 0.473 12.190 1.00 0.00 C ATOM 1423 C SER A 92 -1.639 -0.884 12.819 1.00 0.00 C ATOM 1424 O SER A 92 -2.447 -0.978 13.720 1.00 0.00 O ATOM 1425 CB SER A 92 -0.528 1.330 13.178 1.00 0.00 C ATOM 1426 OG SER A 92 0.138 2.364 12.467 1.00 0.00 O ATOM 0 H SER A 92 -2.883 1.890 12.511 1.00 0.00 H new ATOM 0 HA SER A 92 -0.729 0.316 11.288 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.197 1.758 13.925 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.196 0.715 13.713 1.00 0.00 H new ATOM 0 HG SER A 92 0.646 2.918 13.095 1.00 0.00 H new ATOM 1432 N VAL A 93 -1.004 -1.937 12.353 1.00 0.00 N ATOM 1433 CA VAL A 93 -1.271 -3.293 12.930 1.00 0.00 C ATOM 1434 C VAL A 93 0.060 -3.989 13.245 1.00 0.00 C ATOM 1435 O VAL A 93 0.956 -4.036 12.426 1.00 0.00 O ATOM 1436 CB VAL A 93 -2.065 -4.120 11.922 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -2.254 -5.533 12.467 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -3.428 -3.465 11.702 1.00 0.00 C ATOM 0 H VAL A 93 -0.315 -1.914 11.601 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.847 -3.195 13.850 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.528 -4.168 10.975 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.821 -6.127 11.750 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.280 -5.994 12.630 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.797 -5.489 13.411 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.001 -4.050 10.983 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.968 -3.422 12.648 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.288 -2.454 11.318 1.00 0.00 H new ATOM 1448 N ASN A 94 0.185 -4.532 14.429 1.00 0.00 N ATOM 1449 CA ASN A 94 1.442 -5.237 14.820 1.00 0.00 C ATOM 1450 C ASN A 94 2.634 -4.289 14.660 1.00 0.00 C ATOM 1451 O ASN A 94 3.712 -4.688 14.274 1.00 0.00 O ATOM 1452 CB ASN A 94 1.632 -6.488 13.954 1.00 0.00 C ATOM 1453 CG ASN A 94 0.549 -7.517 14.301 1.00 0.00 C ATOM 1454 OD1 ASN A 94 0.148 -8.296 13.461 1.00 0.00 O ATOM 1455 ND2 ASN A 94 0.059 -7.558 15.513 1.00 0.00 N ATOM 0 H ASN A 94 -0.538 -4.517 15.148 1.00 0.00 H new ATOM 0 HA ASN A 94 1.374 -5.545 15.863 1.00 0.00 H new ATOM 0 HB2 ASN A 94 1.574 -6.225 12.898 1.00 0.00 H new ATOM 0 HB3 ASN A 94 2.621 -6.914 14.123 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -0.658 -8.243 15.750 1.00 0.00 H new ATOM 0 HD22 ASN A 94 0.394 -6.905 16.221 1.00 0.00 H new ATOM 1462 N VAL A 95 2.441 -3.033 14.955 1.00 0.00 N ATOM 1463 CA VAL A 95 3.553 -2.048 14.822 1.00 0.00 C ATOM 1464 C VAL A 95 4.686 -2.399 15.796 1.00 0.00 C ATOM 1465 O VAL A 95 4.459 -2.709 16.947 1.00 0.00 O ATOM 1466 CB VAL A 95 3.015 -0.649 15.134 1.00 0.00 C ATOM 1467 CG1 VAL A 95 2.367 -0.639 16.521 1.00 0.00 C ATOM 1468 CG2 VAL A 95 4.161 0.362 15.103 1.00 0.00 C ATOM 0 H VAL A 95 1.557 -2.644 15.284 1.00 0.00 H new ATOM 0 HA VAL A 95 3.946 -2.075 13.806 1.00 0.00 H new ATOM 0 HB VAL A 95 2.270 -0.379 14.385 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.986 0.359 16.737 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.545 -1.354 16.544 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.108 -0.915 17.271 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.775 1.357 15.325 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.908 0.088 15.848 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.618 0.363 14.114 1.00 0.00 H new ATOM 1478 N ASN A 96 5.911 -2.357 15.331 1.00 0.00 N ATOM 1479 CA ASN A 96 7.074 -2.694 16.209 1.00 0.00 C ATOM 1480 C ASN A 96 7.647 -1.419 16.822 1.00 0.00 C ATOM 1481 O ASN A 96 7.571 -0.354 16.245 1.00 0.00 O ATOM 1482 CB ASN A 96 8.158 -3.376 15.373 1.00 0.00 C ATOM 1483 CG ASN A 96 7.674 -4.759 14.932 1.00 0.00 C ATOM 1484 OD1 ASN A 96 8.109 -5.268 13.919 1.00 0.00 O ATOM 1485 ND2 ASN A 96 6.790 -5.395 15.652 1.00 0.00 N ATOM 0 H ASN A 96 6.156 -2.102 14.374 1.00 0.00 H new ATOM 0 HA ASN A 96 6.741 -3.361 17.004 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.395 -2.767 14.500 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.075 -3.469 15.955 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.466 -6.318 15.363 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.424 -4.969 16.503 1.00 0.00 H new ATOM 1492 N ILE A 97 8.226 -1.529 17.991 1.00 0.00 N ATOM 1493 CA ILE A 97 8.822 -0.336 18.671 1.00 0.00 C ATOM 1494 C ILE A 97 10.286 -0.639 19.010 1.00 0.00 C ATOM 1495 O ILE A 97 10.644 -0.790 20.161 1.00 0.00 O ATOM 1496 CB ILE A 97 8.041 -0.053 19.964 1.00 0.00 C ATOM 1497 CG1 ILE A 97 6.539 0.148 19.640 1.00 0.00 C ATOM 1498 CG2 ILE A 97 8.607 1.198 20.653 1.00 0.00 C ATOM 1499 CD1 ILE A 97 6.255 1.591 19.191 1.00 0.00 C ATOM 0 H ILE A 97 8.313 -2.403 18.509 1.00 0.00 H new ATOM 0 HA ILE A 97 8.770 0.535 18.018 1.00 0.00 H new ATOM 0 HB ILE A 97 8.145 -0.904 20.638 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.238 -0.546 18.855 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.940 -0.086 20.520 1.00 0.00 H new ATOM 0 HG21 ILE A 97 8.049 1.393 21.569 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.657 1.036 20.896 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.517 2.054 19.984 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.193 1.701 18.971 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.534 2.281 19.987 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.836 1.815 18.296 1.00 0.00 H new ATOM 1511 N PRO A 98 11.132 -0.734 18.014 1.00 0.00 N ATOM 1512 CA PRO A 98 12.579 -1.020 18.225 1.00 0.00 C ATOM 1513 C PRO A 98 13.318 0.179 18.836 1.00 0.00 C ATOM 1514 O PRO A 98 12.882 1.306 18.735 1.00 0.00 O ATOM 1515 CB PRO A 98 13.092 -1.353 16.818 1.00 0.00 C ATOM 1516 CG PRO A 98 12.178 -0.621 15.889 1.00 0.00 C ATOM 1517 CD PRO A 98 10.808 -0.579 16.581 1.00 0.00 C ATOM 0 HA PRO A 98 12.746 -1.831 18.934 1.00 0.00 H new ATOM 0 HB2 PRO A 98 14.126 -1.032 16.689 1.00 0.00 H new ATOM 0 HB3 PRO A 98 13.066 -2.427 16.632 1.00 0.00 H new ATOM 0 HG2 PRO A 98 12.546 0.386 15.694 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.113 -1.129 14.927 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.291 0.361 16.387 1.00 0.00 H new ATOM 0 HD3 PRO A 98 10.157 -1.380 16.229 1.00 0.00 H new ATOM 1525 N LEU A 99 14.421 -0.063 19.489 1.00 0.00 N ATOM 1526 CA LEU A 99 15.174 1.056 20.126 1.00 0.00 C ATOM 1527 C LEU A 99 15.826 1.933 19.059 1.00 0.00 C ATOM 1528 O LEU A 99 16.242 1.464 18.018 1.00 0.00 O ATOM 1529 CB LEU A 99 16.260 0.481 21.035 1.00 0.00 C ATOM 1530 CG LEU A 99 15.636 -0.456 22.077 1.00 0.00 C ATOM 1531 CD1 LEU A 99 16.749 -1.058 22.940 1.00 0.00 C ATOM 1532 CD2 LEU A 99 14.656 0.321 22.971 1.00 0.00 C ATOM 0 H LEU A 99 14.834 -0.988 19.610 1.00 0.00 H new ATOM 0 HA LEU A 99 14.480 1.662 20.709 1.00 0.00 H new ATOM 0 HB2 LEU A 99 16.993 -0.062 20.439 1.00 0.00 H new ATOM 0 HB3 LEU A 99 16.792 1.290 21.535 1.00 0.00 H new ATOM 0 HG LEU A 99 15.092 -1.250 21.566 1.00 0.00 H new ATOM 0 HD11 LEU A 99 16.313 -1.725 23.683 1.00 0.00 H new ATOM 0 HD12 LEU A 99 17.437 -1.619 22.307 1.00 0.00 H new ATOM 0 HD13 LEU A 99 17.291 -0.258 23.444 1.00 0.00 H new ATOM 0 HD21 LEU A 99 14.220 -0.355 23.706 1.00 0.00 H new ATOM 0 HD22 LEU A 99 15.189 1.121 23.485 1.00 0.00 H new ATOM 0 HD23 LEU A 99 13.864 0.749 22.357 1.00 0.00 H new ATOM 1544 N GLU A 100 15.923 3.209 19.324 1.00 0.00 N ATOM 1545 CA GLU A 100 16.552 4.144 18.348 1.00 0.00 C ATOM 1546 C GLU A 100 17.228 5.278 19.118 1.00 0.00 C ATOM 1547 O GLU A 100 18.124 5.928 18.622 1.00 0.00 O ATOM 1548 CB GLU A 100 15.472 4.724 17.431 1.00 0.00 C ATOM 1549 CG GLU A 100 16.122 5.623 16.377 1.00 0.00 C ATOM 1550 CD GLU A 100 15.043 6.161 15.434 1.00 0.00 C ATOM 1551 OE1 GLU A 100 13.947 5.624 15.452 1.00 0.00 O ATOM 1552 OE2 GLU A 100 15.333 7.098 14.708 1.00 0.00 O ATOM 0 H GLU A 100 15.590 3.646 20.183 1.00 0.00 H new ATOM 0 HA GLU A 100 17.289 3.613 17.746 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.921 3.918 16.946 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.752 5.295 18.017 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.644 6.449 16.860 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.867 5.061 15.813 1.00 0.00 H new ATOM 1559 N HIS A 101 16.803 5.524 20.330 1.00 0.00 N ATOM 1560 CA HIS A 101 17.419 6.623 21.130 1.00 0.00 C ATOM 1561 C HIS A 101 18.641 6.099 21.888 1.00 0.00 C ATOM 1562 O HIS A 101 18.642 5.002 22.406 1.00 0.00 O ATOM 1563 CB HIS A 101 16.395 7.168 22.131 1.00 0.00 C ATOM 1564 CG HIS A 101 15.911 6.058 23.022 1.00 0.00 C ATOM 1565 ND1 HIS A 101 16.754 5.381 23.889 1.00 0.00 N ATOM 1566 CD2 HIS A 101 14.671 5.496 23.189 1.00 0.00 C ATOM 1567 CE1 HIS A 101 16.015 4.458 24.533 1.00 0.00 C ATOM 1568 NE2 HIS A 101 14.738 4.486 24.143 1.00 0.00 N ATOM 0 H HIS A 101 16.057 5.012 20.800 1.00 0.00 H new ATOM 0 HA HIS A 101 17.731 7.420 20.455 1.00 0.00 H new ATOM 0 HB2 HIS A 101 16.845 7.958 22.732 1.00 0.00 H new ATOM 0 HB3 HIS A 101 15.554 7.612 21.599 1.00 0.00 H new ATOM 0 HD1 HIS A 101 17.752 5.551 24.016 1.00 0.00 H new ATOM 0 HD2 HIS A 101 13.778 5.793 22.660 1.00 0.00 H new ATOM 0 HE1 HIS A 101 16.407 3.778 25.275 1.00 0.00 H new ATOM 1576 N HIS A 102 19.678 6.889 21.956 1.00 0.00 N ATOM 1577 CA HIS A 102 20.910 6.464 22.679 1.00 0.00 C ATOM 1578 C HIS A 102 21.605 7.711 23.237 1.00 0.00 C ATOM 1579 O HIS A 102 22.815 7.802 23.261 1.00 0.00 O ATOM 1580 CB HIS A 102 21.842 5.730 21.708 1.00 0.00 C ATOM 1581 CG HIS A 102 22.187 6.632 20.554 1.00 0.00 C ATOM 1582 ND1 HIS A 102 21.281 6.923 19.545 1.00 0.00 N ATOM 1583 CD2 HIS A 102 23.340 7.303 20.228 1.00 0.00 C ATOM 1584 CE1 HIS A 102 21.898 7.736 18.667 1.00 0.00 C ATOM 1585 NE2 HIS A 102 23.155 7.999 19.036 1.00 0.00 N ATOM 0 H HIS A 102 19.724 7.818 21.538 1.00 0.00 H new ATOM 0 HA HIS A 102 20.655 5.791 23.498 1.00 0.00 H new ATOM 0 HB2 HIS A 102 22.751 5.421 22.225 1.00 0.00 H new ATOM 0 HB3 HIS A 102 21.360 4.824 21.342 1.00 0.00 H new ATOM 0 HD2 HIS A 102 24.251 7.293 20.808 1.00 0.00 H new ATOM 0 HE1 HIS A 102 21.434 8.128 17.774 1.00 0.00 H new ATOM 0 HE2 HIS A 102 23.834 8.584 18.549 1.00 0.00 H new ATOM 1593 N HIS A 103 20.837 8.676 23.681 1.00 0.00 N ATOM 1594 CA HIS A 103 21.432 9.927 24.238 1.00 0.00 C ATOM 1595 C HIS A 103 20.463 10.553 25.246 1.00 0.00 C ATOM 1596 O HIS A 103 20.775 10.704 26.408 1.00 0.00 O ATOM 1597 CB HIS A 103 21.684 10.919 23.100 1.00 0.00 C ATOM 1598 CG HIS A 103 22.443 12.104 23.632 1.00 0.00 C ATOM 1599 ND1 HIS A 103 21.803 13.214 24.157 1.00 0.00 N ATOM 1600 CD2 HIS A 103 23.788 12.362 23.735 1.00 0.00 C ATOM 1601 CE1 HIS A 103 22.753 14.082 24.550 1.00 0.00 C ATOM 1602 NE2 HIS A 103 23.982 13.611 24.314 1.00 0.00 N ATOM 0 H HIS A 103 19.817 8.649 23.681 1.00 0.00 H new ATOM 0 HA HIS A 103 22.372 9.689 24.736 1.00 0.00 H new ATOM 0 HB2 HIS A 103 22.250 10.438 22.302 1.00 0.00 H new ATOM 0 HB3 HIS A 103 20.737 11.243 22.668 1.00 0.00 H new ATOM 0 HD2 HIS A 103 24.575 11.696 23.415 1.00 0.00 H new ATOM 0 HE1 HIS A 103 22.548 15.042 25.001 1.00 0.00 H new ATOM 0 HE2 HIS A 103 24.871 14.069 24.515 1.00 0.00 H new ATOM 1610 N HIS A 104 19.291 10.922 24.804 1.00 0.00 N ATOM 1611 CA HIS A 104 18.300 11.544 25.727 1.00 0.00 C ATOM 1612 C HIS A 104 17.847 10.518 26.769 1.00 0.00 C ATOM 1613 O HIS A 104 17.689 10.832 27.927 1.00 0.00 O ATOM 1614 CB HIS A 104 17.087 12.020 24.926 1.00 0.00 C ATOM 1615 CG HIS A 104 16.105 12.684 25.852 1.00 0.00 C ATOM 1616 ND1 HIS A 104 16.361 13.908 26.447 1.00 0.00 N ATOM 1617 CD2 HIS A 104 14.860 12.306 26.294 1.00 0.00 C ATOM 1618 CE1 HIS A 104 15.295 14.222 27.207 1.00 0.00 C ATOM 1619 NE2 HIS A 104 14.352 13.279 27.150 1.00 0.00 N ATOM 0 H HIS A 104 18.977 10.819 23.839 1.00 0.00 H new ATOM 0 HA HIS A 104 18.763 12.392 26.232 1.00 0.00 H new ATOM 0 HB2 HIS A 104 17.401 12.718 24.150 1.00 0.00 H new ATOM 0 HB3 HIS A 104 16.616 11.176 24.423 1.00 0.00 H new ATOM 0 HD2 HIS A 104 14.353 11.393 26.019 1.00 0.00 H new ATOM 0 HE1 HIS A 104 15.213 15.126 27.791 1.00 0.00 H new ATOM 0 HE2 HIS A 104 13.452 13.273 27.631 1.00 0.00 H new ATOM 1627 N HIS A 105 17.632 9.296 26.351 1.00 0.00 N ATOM 1628 CA HIS A 105 17.182 8.226 27.295 1.00 0.00 C ATOM 1629 C HIS A 105 16.131 8.768 28.266 1.00 0.00 C ATOM 1630 O HIS A 105 15.539 9.805 28.045 1.00 0.00 O ATOM 1631 CB HIS A 105 18.379 7.694 28.092 1.00 0.00 C ATOM 1632 CG HIS A 105 19.023 8.815 28.861 1.00 0.00 C ATOM 1633 ND1 HIS A 105 18.353 9.517 29.852 1.00 0.00 N ATOM 1634 CD2 HIS A 105 20.280 9.365 28.799 1.00 0.00 C ATOM 1635 CE1 HIS A 105 19.203 10.439 30.342 1.00 0.00 C ATOM 1636 NE2 HIS A 105 20.391 10.389 29.735 1.00 0.00 N ATOM 0 H HIS A 105 17.750 8.990 25.385 1.00 0.00 H new ATOM 0 HA HIS A 105 16.741 7.419 26.710 1.00 0.00 H new ATOM 0 HB2 HIS A 105 18.052 6.912 28.778 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.105 7.242 27.416 1.00 0.00 H new ATOM 0 HD2 HIS A 105 21.064 9.050 28.126 1.00 0.00 H new ATOM 0 HE1 HIS A 105 18.954 11.134 31.130 1.00 0.00 H new ATOM 0 HE2 HIS A 105 21.205 10.975 29.918 1.00 0.00 H new ATOM 1644 N HIS A 106 15.896 8.066 29.341 1.00 0.00 N ATOM 1645 CA HIS A 106 14.887 8.524 30.336 1.00 0.00 C ATOM 1646 C HIS A 106 15.222 7.923 31.701 1.00 0.00 C ATOM 1647 O HIS A 106 14.310 7.454 32.361 1.00 0.00 O ATOM 1648 CB HIS A 106 13.497 8.056 29.900 1.00 0.00 C ATOM 1649 CG HIS A 106 13.086 8.797 28.658 1.00 0.00 C ATOM 1650 ND1 HIS A 106 13.431 8.360 27.388 1.00 0.00 N ATOM 1651 CD2 HIS A 106 12.363 9.950 28.474 1.00 0.00 C ATOM 1652 CE1 HIS A 106 12.921 9.237 26.505 1.00 0.00 C ATOM 1653 NE2 HIS A 106 12.259 10.225 27.113 1.00 0.00 N ATOM 1654 OXT HIS A 106 16.388 7.941 32.062 1.00 0.00 O ATOM 0 H HIS A 106 16.363 7.189 29.573 1.00 0.00 H new ATOM 0 HA HIS A 106 14.900 9.612 30.401 1.00 0.00 H new ATOM 0 HB2 HIS A 106 13.506 6.983 29.710 1.00 0.00 H new ATOM 0 HB3 HIS A 106 12.775 8.233 30.697 1.00 0.00 H new ATOM 0 HD2 HIS A 106 11.940 10.552 29.265 1.00 0.00 H new ATOM 0 HE1 HIS A 106 13.033 9.153 25.434 1.00 0.00 H new ATOM 0 HE2 HIS A 106 11.780 11.012 26.675 1.00 0.00 H new TER 1662 HIS A 106