USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 799 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= 0.967 (180deg=0.502) USER MOD Single : A 2 SER OG : rot 93:sc= 0.552 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.13 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot -167:sc= 0.605 USER MOD Single : A 24 THR OG1 : rot 92:sc= 0.912 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -120:sc= 1.03 (180deg=0.217) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 150:sc= 0 USER MOD Single : A 34 SER OG : rot -27:sc= 0.592 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 148:sc= -0.377 (180deg=-1.96!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 43 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.091) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 122:sc= 1.05 (180deg=0.4) USER MOD Single : A 69 GLN : amide:sc= -0.0163 K(o=-0.016,f=1.3) USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= 1.32 (180deg=0.901) USER MOD Single : A 73 SER OG : rot 75:sc= 0.809 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -156:sc= 1.23 USER MOD Single : A 83 THR OG1 : rot -120:sc= 0.934 USER MOD Single : A 84 LYS NZ :NH3+ -161:sc= 1.47 (180deg=1.29) USER MOD Single : A 85 SER OG : rot -144:sc= 1.18 USER MOD Single : A 87 MET CE :methyl 177:sc= -0.225 (180deg=-0.256) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 141:sc= 1.17 (180deg=0.956) USER MOD Single : A 104 GLN : amide:sc= -0.736 X(o=-0.74,f=-0.28) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HE2:sc= 1.08 K(o=1.1,f=-4.7!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.835 4.772 1.202 1.00 3.72 N ATOM 2 CA MET A 1 -18.084 3.500 1.154 1.00 2.85 C ATOM 3 C MET A 1 -16.814 3.577 1.991 1.00 2.11 C ATOM 4 O MET A 1 -16.891 3.475 3.211 1.00 2.26 O ATOM 5 CB MET A 1 -17.877 2.956 -0.270 1.00 4.36 C ATOM 6 CG MET A 1 -19.110 2.191 -0.768 1.00 5.52 C ATOM 7 SD MET A 1 -18.878 1.384 -2.372 1.00 6.89 S ATOM 8 CE MET A 1 -20.419 0.449 -2.478 1.00 8.04 C ATOM 0 H1 MET A 1 -19.810 4.612 0.877 1.00 3.72 H new ATOM 0 H2 MET A 1 -18.850 5.130 2.178 1.00 3.72 H new ATOM 0 H3 MET A 1 -18.375 5.470 0.584 1.00 3.72 H new ATOM 0 HA MET A 1 -18.711 2.741 1.622 1.00 2.85 H new ATOM 0 HB2 MET A 1 -17.663 3.782 -0.948 1.00 4.36 H new ATOM 0 HB3 MET A 1 -17.009 2.297 -0.286 1.00 4.36 H new ATOM 0 HG2 MET A 1 -19.380 1.437 -0.029 1.00 5.52 H new ATOM 0 HG3 MET A 1 -19.950 2.882 -0.839 1.00 5.52 H new ATOM 0 HE1 MET A 1 -20.441 -0.111 -3.413 1.00 8.04 H new ATOM 0 HE2 MET A 1 -20.483 -0.244 -1.639 1.00 8.04 H new ATOM 0 HE3 MET A 1 -21.264 1.136 -2.446 1.00 8.04 H new ATOM 20 N SER A 2 -15.661 3.728 1.349 1.00 1.62 N ATOM 21 CA SER A 2 -14.363 3.758 1.999 1.00 1.35 C ATOM 22 C SER A 2 -13.546 4.789 1.228 1.00 1.00 C ATOM 23 O SER A 2 -14.116 5.688 0.621 1.00 1.51 O ATOM 24 CB SER A 2 -13.765 2.339 1.984 1.00 2.04 C ATOM 25 OG SER A 2 -12.477 2.307 2.572 1.00 2.75 O ATOM 0 H SER A 2 -15.606 3.835 0.336 1.00 1.62 H new ATOM 0 HA SER A 2 -14.396 4.048 3.049 1.00 1.35 H new ATOM 0 HB2 SER A 2 -14.427 1.659 2.521 1.00 2.04 H new ATOM 0 HB3 SER A 2 -13.705 1.980 0.956 1.00 2.04 H new ATOM 0 HG SER A 2 -12.557 2.089 3.524 1.00 2.75 H new ATOM 31 N ILE A 3 -12.232 4.617 1.170 1.00 0.58 N ATOM 32 CA ILE A 3 -11.321 5.490 0.440 1.00 0.65 C ATOM 33 C ILE A 3 -11.760 5.734 -1.010 1.00 0.77 C ATOM 34 O ILE A 3 -11.413 6.753 -1.606 1.00 0.93 O ATOM 35 CB ILE A 3 -9.889 4.939 0.494 1.00 0.78 C ATOM 36 CG1 ILE A 3 -9.583 3.885 -0.580 1.00 1.22 C ATOM 37 CG2 ILE A 3 -9.508 4.421 1.890 1.00 0.59 C ATOM 38 CD1 ILE A 3 -10.270 2.527 -0.379 1.00 1.92 C ATOM 0 H ILE A 3 -11.758 3.847 1.641 1.00 0.58 H new ATOM 0 HA ILE A 3 -11.347 6.460 0.937 1.00 0.65 H new ATOM 0 HB ILE A 3 -9.260 5.800 0.269 1.00 0.78 H new ATOM 0 HG12 ILE A 3 -9.878 4.283 -1.551 1.00 1.22 H new ATOM 0 HG13 ILE A 3 -8.505 3.727 -0.614 1.00 1.22 H new ATOM 0 HG21 ILE A 3 -8.486 4.043 1.871 1.00 0.59 H new ATOM 0 HG22 ILE A 3 -9.581 5.234 2.612 1.00 0.59 H new ATOM 0 HG23 ILE A 3 -10.187 3.618 2.178 1.00 0.59 H new ATOM 0 HD11 ILE A 3 -9.990 1.854 -1.189 1.00 1.92 H new ATOM 0 HD12 ILE A 3 -9.957 2.098 0.573 1.00 1.92 H new ATOM 0 HD13 ILE A 3 -11.351 2.663 -0.378 1.00 1.92 H new ATOM 50 N THR A 4 -12.491 4.778 -1.600 1.00 0.79 N ATOM 51 CA THR A 4 -12.996 4.895 -2.951 1.00 1.13 C ATOM 52 C THR A 4 -13.833 6.177 -3.062 1.00 1.25 C ATOM 53 O THR A 4 -13.730 6.942 -4.018 1.00 2.11 O ATOM 54 CB THR A 4 -13.762 3.592 -3.266 1.00 1.44 C ATOM 55 OG1 THR A 4 -13.527 3.225 -4.594 1.00 1.74 O ATOM 56 CG2 THR A 4 -15.264 3.607 -2.972 1.00 2.13 C ATOM 0 H THR A 4 -12.743 3.903 -1.141 1.00 0.79 H new ATOM 0 HA THR A 4 -12.209 4.997 -3.698 1.00 1.13 H new ATOM 0 HB THR A 4 -13.365 2.851 -2.572 1.00 1.44 H new ATOM 0 HG1 THR A 4 -14.011 2.397 -4.795 1.00 1.74 H new ATOM 0 HG21 THR A 4 -15.695 2.640 -3.232 1.00 2.13 H new ATOM 0 HG22 THR A 4 -15.425 3.803 -1.912 1.00 2.13 H new ATOM 0 HG23 THR A 4 -15.743 4.388 -3.562 1.00 2.13 H new ATOM 64 N ASP A 5 -14.610 6.436 -2.012 1.00 1.05 N ATOM 65 CA ASP A 5 -15.610 7.476 -1.876 1.00 1.31 C ATOM 66 C ASP A 5 -14.950 8.742 -1.312 1.00 1.30 C ATOM 67 O ASP A 5 -15.469 9.376 -0.395 1.00 2.08 O ATOM 68 CB ASP A 5 -16.653 6.854 -0.933 1.00 1.55 C ATOM 69 CG ASP A 5 -18.000 7.538 -0.864 1.00 2.17 C ATOM 70 OD1 ASP A 5 -18.251 8.476 -1.644 1.00 2.45 O ATOM 71 OD2 ASP A 5 -18.781 7.010 -0.036 1.00 3.34 O ATOM 0 H ASP A 5 -14.545 5.871 -1.165 1.00 1.05 H new ATOM 0 HA ASP A 5 -16.075 7.789 -2.811 1.00 1.31 H new ATOM 0 HB2 ASP A 5 -16.812 5.819 -1.237 1.00 1.55 H new ATOM 0 HB3 ASP A 5 -16.232 6.830 0.072 1.00 1.55 H new ATOM 76 N VAL A 6 -13.753 9.069 -1.820 1.00 0.74 N ATOM 77 CA VAL A 6 -12.931 10.195 -1.377 1.00 0.63 C ATOM 78 C VAL A 6 -12.194 10.788 -2.580 1.00 0.55 C ATOM 79 O VAL A 6 -12.396 11.948 -2.932 1.00 0.59 O ATOM 80 CB VAL A 6 -11.929 9.760 -0.280 1.00 0.61 C ATOM 81 CG1 VAL A 6 -11.150 10.962 0.270 1.00 1.53 C ATOM 82 CG2 VAL A 6 -12.616 9.055 0.894 1.00 1.40 C ATOM 0 H VAL A 6 -13.320 8.537 -2.575 1.00 0.74 H new ATOM 0 HA VAL A 6 -13.580 10.955 -0.941 1.00 0.63 H new ATOM 0 HB VAL A 6 -11.247 9.059 -0.762 1.00 0.61 H new ATOM 0 HG11 VAL A 6 -10.455 10.624 1.038 1.00 1.53 H new ATOM 0 HG12 VAL A 6 -10.594 11.437 -0.539 1.00 1.53 H new ATOM 0 HG13 VAL A 6 -11.847 11.680 0.702 1.00 1.53 H new ATOM 0 HG21 VAL A 6 -11.869 8.771 1.635 1.00 1.40 H new ATOM 0 HG22 VAL A 6 -13.341 9.730 1.350 1.00 1.40 H new ATOM 0 HG23 VAL A 6 -13.128 8.163 0.534 1.00 1.40 H new ATOM 92 N LEU A 7 -11.310 9.992 -3.185 1.00 0.52 N ATOM 93 CA LEU A 7 -10.430 10.401 -4.278 1.00 0.53 C ATOM 94 C LEU A 7 -9.847 9.128 -4.884 1.00 0.55 C ATOM 95 O LEU A 7 -10.030 8.839 -6.067 1.00 0.59 O ATOM 96 CB LEU A 7 -9.302 11.307 -3.736 1.00 0.53 C ATOM 97 CG LEU A 7 -8.276 11.734 -4.806 1.00 0.76 C ATOM 98 CD1 LEU A 7 -8.770 12.955 -5.590 1.00 1.19 C ATOM 99 CD2 LEU A 7 -6.921 12.046 -4.157 1.00 1.14 C ATOM 0 H LEU A 7 -11.184 9.015 -2.919 1.00 0.52 H new ATOM 0 HA LEU A 7 -10.978 10.968 -5.031 1.00 0.53 H new ATOM 0 HB2 LEU A 7 -9.746 12.200 -3.296 1.00 0.53 H new ATOM 0 HB3 LEU A 7 -8.781 10.782 -2.935 1.00 0.53 H new ATOM 0 HG LEU A 7 -8.156 10.903 -5.501 1.00 0.76 H new ATOM 0 HD11 LEU A 7 -8.026 13.233 -6.337 1.00 1.19 H new ATOM 0 HD12 LEU A 7 -9.710 12.713 -6.086 1.00 1.19 H new ATOM 0 HD13 LEU A 7 -8.926 13.789 -4.905 1.00 1.19 H new ATOM 0 HD21 LEU A 7 -6.209 12.345 -4.926 1.00 1.14 H new ATOM 0 HD22 LEU A 7 -7.040 12.856 -3.438 1.00 1.14 H new ATOM 0 HD23 LEU A 7 -6.550 11.158 -3.645 1.00 1.14 H new ATOM 111 N SER A 8 -9.190 8.362 -4.008 1.00 0.56 N ATOM 112 CA SER A 8 -8.285 7.265 -4.271 1.00 0.57 C ATOM 113 C SER A 8 -8.717 6.309 -5.381 1.00 0.51 C ATOM 114 O SER A 8 -7.857 5.704 -6.003 1.00 0.52 O ATOM 115 CB SER A 8 -8.073 6.532 -2.950 1.00 0.70 C ATOM 116 OG SER A 8 -7.996 7.493 -1.906 1.00 0.99 O ATOM 0 H SER A 8 -9.296 8.518 -3.006 1.00 0.56 H new ATOM 0 HA SER A 8 -7.357 7.685 -4.658 1.00 0.57 H new ATOM 0 HB2 SER A 8 -8.894 5.839 -2.766 1.00 0.70 H new ATOM 0 HB3 SER A 8 -7.158 5.940 -2.988 1.00 0.70 H new ATOM 0 HG SER A 8 -7.861 7.036 -1.050 1.00 0.99 H new ATOM 122 N ALA A 9 -10.021 6.138 -5.613 1.00 0.50 N ATOM 123 CA ALA A 9 -10.555 5.357 -6.724 1.00 0.51 C ATOM 124 C ALA A 9 -9.852 5.680 -8.048 1.00 0.47 C ATOM 125 O ALA A 9 -9.435 4.777 -8.775 1.00 0.50 O ATOM 126 CB ALA A 9 -12.053 5.637 -6.855 1.00 0.61 C ATOM 0 H ALA A 9 -10.745 6.547 -5.022 1.00 0.50 H new ATOM 0 HA ALA A 9 -10.379 4.303 -6.511 1.00 0.51 H new ATOM 0 HB1 ALA A 9 -12.460 5.057 -7.683 1.00 0.61 H new ATOM 0 HB2 ALA A 9 -12.558 5.355 -5.931 1.00 0.61 H new ATOM 0 HB3 ALA A 9 -12.209 6.699 -7.044 1.00 0.61 H new ATOM 132 N ASP A 10 -9.726 6.970 -8.366 1.00 0.46 N ATOM 133 CA ASP A 10 -9.093 7.393 -9.609 1.00 0.46 C ATOM 134 C ASP A 10 -7.636 6.914 -9.624 1.00 0.43 C ATOM 135 O ASP A 10 -7.145 6.322 -10.587 1.00 0.45 O ATOM 136 CB ASP A 10 -9.199 8.918 -9.723 1.00 0.49 C ATOM 137 CG ASP A 10 -8.818 9.408 -11.113 1.00 0.55 C ATOM 138 OD1 ASP A 10 -7.619 9.315 -11.448 1.00 1.68 O ATOM 139 OD2 ASP A 10 -9.738 9.877 -11.817 1.00 1.79 O ATOM 0 H ASP A 10 -10.055 7.736 -7.778 1.00 0.46 H new ATOM 0 HA ASP A 10 -9.594 6.953 -10.471 1.00 0.46 H new ATOM 0 HB2 ASP A 10 -10.218 9.230 -9.494 1.00 0.49 H new ATOM 0 HB3 ASP A 10 -8.549 9.384 -8.982 1.00 0.49 H new ATOM 144 N ASP A 11 -6.966 7.114 -8.491 1.00 0.43 N ATOM 145 CA ASP A 11 -5.546 6.902 -8.329 1.00 0.46 C ATOM 146 C ASP A 11 -5.248 5.412 -8.454 1.00 0.40 C ATOM 147 O ASP A 11 -4.346 5.009 -9.186 1.00 0.39 O ATOM 148 CB ASP A 11 -5.091 7.471 -6.977 1.00 0.56 C ATOM 149 CG ASP A 11 -5.617 8.873 -6.694 1.00 1.32 C ATOM 150 OD1 ASP A 11 -6.853 8.977 -6.536 1.00 2.26 O ATOM 151 OD2 ASP A 11 -4.787 9.804 -6.609 1.00 2.30 O ATOM 0 H ASP A 11 -7.420 7.439 -7.637 1.00 0.43 H new ATOM 0 HA ASP A 11 -4.989 7.424 -9.107 1.00 0.46 H new ATOM 0 HB2 ASP A 11 -5.420 6.802 -6.182 1.00 0.56 H new ATOM 0 HB3 ASP A 11 -4.002 7.489 -6.948 1.00 0.56 H new ATOM 156 N ILE A 12 -6.023 4.570 -7.763 1.00 0.44 N ATOM 157 CA ILE A 12 -5.894 3.136 -7.859 1.00 0.49 C ATOM 158 C ILE A 12 -6.215 2.646 -9.271 1.00 0.51 C ATOM 159 O ILE A 12 -5.510 1.778 -9.778 1.00 0.54 O ATOM 160 CB ILE A 12 -6.677 2.415 -6.758 1.00 0.61 C ATOM 161 CG1 ILE A 12 -8.199 2.521 -6.883 1.00 0.64 C ATOM 162 CG2 ILE A 12 -6.149 2.797 -5.367 1.00 0.68 C ATOM 163 CD1 ILE A 12 -8.962 1.825 -5.752 1.00 0.97 C ATOM 0 H ILE A 12 -6.756 4.877 -7.123 1.00 0.44 H new ATOM 0 HA ILE A 12 -4.851 2.875 -7.681 1.00 0.49 H new ATOM 0 HB ILE A 12 -6.489 1.351 -6.900 1.00 0.61 H new ATOM 0 HG12 ILE A 12 -8.480 3.574 -6.904 1.00 0.64 H new ATOM 0 HG13 ILE A 12 -8.507 2.090 -7.836 1.00 0.64 H new ATOM 0 HG21 ILE A 12 -6.722 2.271 -4.603 1.00 0.68 H new ATOM 0 HG22 ILE A 12 -5.098 2.519 -5.288 1.00 0.68 H new ATOM 0 HG23 ILE A 12 -6.252 3.872 -5.222 1.00 0.68 H new ATOM 0 HD11 ILE A 12 -10.034 1.943 -5.910 1.00 0.97 H new ATOM 0 HD12 ILE A 12 -8.711 0.764 -5.743 1.00 0.97 H new ATOM 0 HD13 ILE A 12 -8.684 2.271 -4.797 1.00 0.97 H new ATOM 175 N ALA A 13 -7.228 3.213 -9.933 1.00 0.52 N ATOM 176 CA ALA A 13 -7.509 2.891 -11.328 1.00 0.61 C ATOM 177 C ALA A 13 -6.286 3.175 -12.209 1.00 0.60 C ATOM 178 O ALA A 13 -5.895 2.333 -13.018 1.00 0.67 O ATOM 179 CB ALA A 13 -8.755 3.633 -11.820 1.00 0.67 C ATOM 0 H ALA A 13 -7.864 3.896 -9.522 1.00 0.52 H new ATOM 0 HA ALA A 13 -7.720 1.824 -11.400 1.00 0.61 H new ATOM 0 HB1 ALA A 13 -8.943 3.376 -12.862 1.00 0.67 H new ATOM 0 HB2 ALA A 13 -9.614 3.344 -11.214 1.00 0.67 H new ATOM 0 HB3 ALA A 13 -8.596 4.708 -11.734 1.00 0.67 H new ATOM 185 N ALA A 14 -5.651 4.341 -12.044 1.00 0.55 N ATOM 186 CA ALA A 14 -4.403 4.633 -12.744 1.00 0.59 C ATOM 187 C ALA A 14 -3.334 3.593 -12.398 1.00 0.54 C ATOM 188 O ALA A 14 -2.749 2.979 -13.291 1.00 0.55 O ATOM 189 CB ALA A 14 -3.906 6.045 -12.422 1.00 0.61 C ATOM 0 H ALA A 14 -5.981 5.090 -11.436 1.00 0.55 H new ATOM 0 HA ALA A 14 -4.600 4.583 -13.815 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -2.975 6.234 -12.957 1.00 0.61 H new ATOM 0 HB2 ALA A 14 -4.656 6.774 -12.730 1.00 0.61 H new ATOM 0 HB3 ALA A 14 -3.732 6.134 -11.350 1.00 0.61 H new ATOM 195 N ALA A 15 -3.089 3.383 -11.103 1.00 0.51 N ATOM 196 CA ALA A 15 -2.095 2.455 -10.589 1.00 0.49 C ATOM 197 C ALA A 15 -2.265 1.069 -11.204 1.00 0.54 C ATOM 198 O ALA A 15 -1.297 0.435 -11.614 1.00 0.57 O ATOM 199 CB ALA A 15 -2.196 2.387 -9.062 1.00 0.46 C ATOM 0 H ALA A 15 -3.596 3.872 -10.365 1.00 0.51 H new ATOM 0 HA ALA A 15 -1.105 2.817 -10.865 1.00 0.49 H new ATOM 0 HB1 ALA A 15 -1.450 1.691 -8.679 1.00 0.46 H new ATOM 0 HB2 ALA A 15 -2.019 3.377 -8.641 1.00 0.46 H new ATOM 0 HB3 ALA A 15 -3.191 2.045 -8.778 1.00 0.46 H new ATOM 205 N LEU A 16 -3.513 0.610 -11.287 1.00 0.57 N ATOM 206 CA LEU A 16 -3.886 -0.653 -11.895 1.00 0.61 C ATOM 207 C LEU A 16 -3.360 -0.750 -13.331 1.00 0.64 C ATOM 208 O LEU A 16 -2.966 -1.832 -13.764 1.00 0.72 O ATOM 209 CB LEU A 16 -5.409 -0.847 -11.751 1.00 0.67 C ATOM 210 CG LEU A 16 -6.058 -1.870 -12.700 1.00 1.19 C ATOM 211 CD1 LEU A 16 -7.247 -2.549 -12.010 1.00 2.08 C ATOM 212 CD2 LEU A 16 -6.582 -1.175 -13.965 1.00 2.88 C ATOM 0 H LEU A 16 -4.312 1.127 -10.920 1.00 0.57 H new ATOM 0 HA LEU A 16 -3.413 -1.486 -11.376 1.00 0.61 H new ATOM 0 HB2 LEU A 16 -5.620 -1.150 -10.725 1.00 0.67 H new ATOM 0 HB3 LEU A 16 -5.893 0.118 -11.905 1.00 0.67 H new ATOM 0 HG LEU A 16 -5.299 -2.606 -12.965 1.00 1.19 H new ATOM 0 HD11 LEU A 16 -7.699 -3.271 -12.690 1.00 2.08 H new ATOM 0 HD12 LEU A 16 -6.902 -3.063 -11.113 1.00 2.08 H new ATOM 0 HD13 LEU A 16 -7.987 -1.797 -11.736 1.00 2.08 H new ATOM 0 HD21 LEU A 16 -7.037 -1.914 -14.624 1.00 2.88 H new ATOM 0 HD22 LEU A 16 -7.326 -0.428 -13.688 1.00 2.88 H new ATOM 0 HD23 LEU A 16 -5.755 -0.689 -14.482 1.00 2.88 H new ATOM 224 N GLN A 17 -3.335 0.364 -14.073 1.00 0.60 N ATOM 225 CA GLN A 17 -2.838 0.370 -15.444 1.00 0.61 C ATOM 226 C GLN A 17 -1.321 0.573 -15.487 1.00 0.61 C ATOM 227 O GLN A 17 -0.643 -0.122 -16.242 1.00 0.64 O ATOM 228 CB GLN A 17 -3.611 1.386 -16.302 1.00 0.62 C ATOM 229 CG GLN A 17 -4.602 0.637 -17.205 1.00 1.35 C ATOM 230 CD GLN A 17 -5.478 1.580 -18.022 1.00 1.89 C ATOM 231 OE1 GLN A 17 -5.001 2.237 -18.940 1.00 2.19 O ATOM 232 NE2 GLN A 17 -6.771 1.635 -17.719 1.00 3.03 N ATOM 0 H GLN A 17 -3.656 1.273 -13.740 1.00 0.60 H new ATOM 0 HA GLN A 17 -3.021 -0.610 -15.884 1.00 0.61 H new ATOM 0 HB2 GLN A 17 -4.144 2.089 -15.662 1.00 0.62 H new ATOM 0 HB3 GLN A 17 -2.918 1.969 -16.908 1.00 0.62 H new ATOM 0 HG2 GLN A 17 -4.050 -0.017 -17.880 1.00 1.35 H new ATOM 0 HG3 GLN A 17 -5.237 -0.002 -16.591 1.00 1.35 H new ATOM 0 HE21 GLN A 17 -7.139 1.076 -16.949 1.00 3.03 H new ATOM 0 HE22 GLN A 17 -7.396 2.236 -18.257 1.00 3.03 H new ATOM 241 N GLU A 18 -0.775 1.503 -14.697 1.00 0.61 N ATOM 242 CA GLU A 18 0.666 1.748 -14.687 1.00 0.67 C ATOM 243 C GLU A 18 1.403 0.468 -14.272 1.00 0.75 C ATOM 244 O GLU A 18 2.343 0.023 -14.927 1.00 0.91 O ATOM 245 CB GLU A 18 1.000 3.007 -13.856 1.00 0.69 C ATOM 246 CG GLU A 18 1.421 2.814 -12.387 1.00 1.00 C ATOM 247 CD GLU A 18 2.893 2.437 -12.210 1.00 1.89 C ATOM 248 OE1 GLU A 18 3.741 3.226 -12.680 1.00 2.22 O ATOM 249 OE2 GLU A 18 3.149 1.387 -11.584 1.00 3.48 O ATOM 0 H GLU A 18 -1.308 2.095 -14.060 1.00 0.61 H new ATOM 0 HA GLU A 18 1.027 1.982 -15.688 1.00 0.67 H new ATOM 0 HB2 GLU A 18 1.802 3.540 -14.366 1.00 0.69 H new ATOM 0 HB3 GLU A 18 0.126 3.658 -13.870 1.00 0.69 H new ATOM 0 HG2 GLU A 18 1.223 3.735 -11.838 1.00 1.00 H new ATOM 0 HG3 GLU A 18 0.801 2.037 -11.940 1.00 1.00 H new ATOM 256 N CYS A 19 0.898 -0.175 -13.220 1.00 0.73 N ATOM 257 CA CYS A 19 1.464 -1.343 -12.579 1.00 0.84 C ATOM 258 C CYS A 19 0.755 -2.604 -13.069 1.00 0.71 C ATOM 259 O CYS A 19 0.525 -3.540 -12.299 1.00 0.79 O ATOM 260 CB CYS A 19 1.278 -1.192 -11.071 1.00 1.15 C ATOM 261 SG CYS A 19 2.538 -2.191 -10.278 1.00 2.53 S ATOM 0 H CYS A 19 0.033 0.129 -12.773 1.00 0.73 H new ATOM 0 HA CYS A 19 2.523 -1.430 -12.822 1.00 0.84 H new ATOM 0 HB2 CYS A 19 1.372 -0.147 -10.775 1.00 1.15 H new ATOM 0 HB3 CYS A 19 0.282 -1.520 -10.772 1.00 1.15 H new ATOM 0 HG CYS A 19 2.261 -2.317 -9.014 1.00 2.53 H new ATOM 267 N ARG A 20 0.393 -2.633 -14.351 1.00 0.64 N ATOM 268 CA ARG A 20 -0.312 -3.755 -14.946 1.00 0.60 C ATOM 269 C ARG A 20 0.664 -4.909 -15.130 1.00 0.54 C ATOM 270 O ARG A 20 0.347 -6.067 -14.864 1.00 0.62 O ATOM 271 CB ARG A 20 -0.876 -3.319 -16.292 1.00 0.66 C ATOM 272 CG ARG A 20 -1.670 -4.451 -16.952 1.00 1.29 C ATOM 273 CD ARG A 20 -2.040 -4.010 -18.361 1.00 2.00 C ATOM 274 NE ARG A 20 -0.816 -3.903 -19.169 1.00 3.17 N ATOM 275 CZ ARG A 20 -0.700 -3.520 -20.442 1.00 4.31 C ATOM 276 NH1 ARG A 20 -1.784 -3.168 -21.143 1.00 4.50 N ATOM 277 NH2 ARG A 20 0.522 -3.506 -20.975 1.00 5.82 N ATOM 0 H ARG A 20 0.584 -1.873 -15.004 1.00 0.64 H new ATOM 0 HA ARG A 20 -1.130 -4.080 -14.303 1.00 0.60 H new ATOM 0 HB2 ARG A 20 -1.521 -2.451 -16.155 1.00 0.66 H new ATOM 0 HB3 ARG A 20 -0.062 -3.011 -16.948 1.00 0.66 H new ATOM 0 HG2 ARG A 20 -1.076 -5.365 -16.983 1.00 1.29 H new ATOM 0 HG3 ARG A 20 -2.567 -4.673 -16.375 1.00 1.29 H new ATOM 0 HD2 ARG A 20 -2.726 -4.727 -18.811 1.00 2.00 H new ATOM 0 HD3 ARG A 20 -2.556 -3.050 -18.331 1.00 2.00 H new ATOM 0 HE ARG A 20 0.053 -4.153 -18.697 1.00 3.17 H new ATOM 0 HH11 ARG A 20 -2.705 -3.192 -20.705 1.00 4.50 H new ATOM 0 HH12 ARG A 20 -1.690 -2.876 -22.116 1.00 4.50 H new ATOM 0 HH21 ARG A 20 1.327 -3.782 -20.413 1.00 5.82 H new ATOM 0 HH22 ARG A 20 0.652 -3.219 -21.945 1.00 5.82 H new ATOM 291 N ASP A 21 1.837 -4.572 -15.661 1.00 0.59 N ATOM 292 CA ASP A 21 2.761 -5.520 -16.242 1.00 0.68 C ATOM 293 C ASP A 21 3.558 -6.161 -15.105 1.00 0.65 C ATOM 294 O ASP A 21 3.744 -5.530 -14.062 1.00 0.56 O ATOM 295 CB ASP A 21 3.594 -4.791 -17.308 1.00 0.90 C ATOM 296 CG ASP A 21 2.875 -4.709 -18.658 1.00 1.20 C ATOM 297 OD1 ASP A 21 1.783 -4.096 -18.727 1.00 2.28 O ATOM 298 OD2 ASP A 21 3.406 -5.267 -19.639 1.00 1.89 O ATOM 0 H ASP A 21 2.171 -3.609 -15.696 1.00 0.59 H new ATOM 0 HA ASP A 21 2.271 -6.342 -16.764 1.00 0.68 H new ATOM 0 HB2 ASP A 21 3.823 -3.784 -16.960 1.00 0.90 H new ATOM 0 HB3 ASP A 21 4.545 -5.307 -17.437 1.00 0.90 H new ATOM 303 N PRO A 22 3.966 -7.432 -15.233 1.00 0.83 N ATOM 304 CA PRO A 22 4.497 -8.182 -14.109 1.00 0.91 C ATOM 305 C PRO A 22 5.811 -7.574 -13.619 1.00 0.89 C ATOM 306 O PRO A 22 6.581 -7.028 -14.407 1.00 1.27 O ATOM 307 CB PRO A 22 4.656 -9.621 -14.604 1.00 1.14 C ATOM 308 CG PRO A 22 4.845 -9.444 -16.112 1.00 1.19 C ATOM 309 CD PRO A 22 3.937 -8.252 -16.430 1.00 1.00 C ATOM 0 HA PRO A 22 3.833 -8.153 -13.245 1.00 0.91 H new ATOM 0 HB2 PRO A 22 5.513 -10.114 -14.144 1.00 1.14 H new ATOM 0 HB3 PRO A 22 3.779 -10.226 -14.375 1.00 1.14 H new ATOM 0 HG2 PRO A 22 5.885 -9.240 -16.368 1.00 1.19 H new ATOM 0 HG3 PRO A 22 4.550 -10.336 -16.664 1.00 1.19 H new ATOM 0 HD2 PRO A 22 4.299 -7.699 -17.297 1.00 1.00 H new ATOM 0 HD3 PRO A 22 2.923 -8.578 -16.661 1.00 1.00 H new ATOM 317 N ASP A 23 6.029 -7.669 -12.308 1.00 0.65 N ATOM 318 CA ASP A 23 7.223 -7.227 -11.603 1.00 0.61 C ATOM 319 C ASP A 23 7.571 -5.754 -11.911 1.00 0.59 C ATOM 320 O ASP A 23 8.731 -5.433 -12.169 1.00 1.04 O ATOM 321 CB ASP A 23 8.374 -8.218 -11.844 1.00 0.70 C ATOM 322 CG ASP A 23 8.047 -9.613 -11.325 1.00 1.41 C ATOM 323 OD1 ASP A 23 7.263 -10.317 -11.999 1.00 2.60 O ATOM 324 OD2 ASP A 23 8.569 -9.951 -10.240 1.00 2.08 O ATOM 0 H ASP A 23 5.338 -8.079 -11.679 1.00 0.65 H new ATOM 0 HA ASP A 23 7.027 -7.234 -10.531 1.00 0.61 H new ATOM 0 HB2 ASP A 23 8.590 -8.270 -12.911 1.00 0.70 H new ATOM 0 HB3 ASP A 23 9.276 -7.852 -11.354 1.00 0.70 H new ATOM 329 N THR A 24 6.573 -4.853 -11.874 1.00 0.42 N ATOM 330 CA THR A 24 6.718 -3.417 -12.156 1.00 0.45 C ATOM 331 C THR A 24 6.362 -2.529 -10.941 1.00 0.48 C ATOM 332 O THR A 24 6.300 -1.307 -11.064 1.00 0.78 O ATOM 333 CB THR A 24 5.893 -3.038 -13.410 1.00 0.48 C ATOM 334 OG1 THR A 24 6.001 -4.039 -14.389 1.00 0.58 O ATOM 335 CG2 THR A 24 6.376 -1.751 -14.089 1.00 0.57 C ATOM 0 H THR A 24 5.615 -5.114 -11.640 1.00 0.42 H new ATOM 0 HA THR A 24 7.771 -3.225 -12.361 1.00 0.45 H new ATOM 0 HB THR A 24 4.874 -2.908 -13.046 1.00 0.48 H new ATOM 0 HG1 THR A 24 5.271 -4.684 -14.279 1.00 0.58 H new ATOM 0 HG21 THR A 24 5.755 -1.544 -14.960 1.00 0.57 H new ATOM 0 HG22 THR A 24 6.305 -0.920 -13.387 1.00 0.57 H new ATOM 0 HG23 THR A 24 7.413 -1.872 -14.403 1.00 0.57 H new ATOM 343 N PHE A 25 6.099 -3.093 -9.758 1.00 0.49 N ATOM 344 CA PHE A 25 5.607 -2.329 -8.612 1.00 0.60 C ATOM 345 C PHE A 25 6.770 -1.635 -7.895 1.00 0.55 C ATOM 346 O PHE A 25 7.284 -2.129 -6.889 1.00 1.00 O ATOM 347 CB PHE A 25 4.798 -3.254 -7.685 1.00 0.87 C ATOM 348 CG PHE A 25 3.793 -2.599 -6.747 1.00 1.21 C ATOM 349 CD1 PHE A 25 4.217 -1.741 -5.713 1.00 2.15 C ATOM 350 CD2 PHE A 25 2.433 -2.956 -6.835 1.00 1.89 C ATOM 351 CE1 PHE A 25 3.280 -1.217 -4.806 1.00 2.61 C ATOM 352 CE2 PHE A 25 1.506 -2.465 -5.899 1.00 2.37 C ATOM 353 CZ PHE A 25 1.929 -1.592 -4.886 1.00 2.39 C ATOM 0 H PHE A 25 6.221 -4.088 -9.570 1.00 0.49 H new ATOM 0 HA PHE A 25 4.936 -1.539 -8.950 1.00 0.60 H new ATOM 0 HB2 PHE A 25 4.261 -3.970 -8.308 1.00 0.87 H new ATOM 0 HB3 PHE A 25 5.502 -3.824 -7.079 1.00 0.87 H new ATOM 0 HD1 PHE A 25 5.262 -1.486 -5.617 1.00 2.15 H new ATOM 0 HD2 PHE A 25 2.100 -3.611 -7.627 1.00 1.89 H new ATOM 0 HE1 PHE A 25 3.601 -0.522 -4.044 1.00 2.61 H new ATOM 0 HE2 PHE A 25 0.469 -2.760 -5.960 1.00 2.37 H new ATOM 0 HZ PHE A 25 1.218 -1.209 -4.169 1.00 2.39 H new ATOM 363 N GLU A 26 7.173 -0.460 -8.384 1.00 0.52 N ATOM 364 CA GLU A 26 8.064 0.415 -7.630 1.00 0.54 C ATOM 365 C GLU A 26 7.301 0.990 -6.424 1.00 0.47 C ATOM 366 O GLU A 26 6.159 1.425 -6.585 1.00 0.45 O ATOM 367 CB GLU A 26 8.560 1.582 -8.494 1.00 0.59 C ATOM 368 CG GLU A 26 10.070 1.606 -8.757 1.00 0.93 C ATOM 369 CD GLU A 26 10.516 3.051 -8.926 1.00 1.65 C ATOM 370 OE1 GLU A 26 10.584 3.743 -7.888 1.00 2.71 O ATOM 371 OE2 GLU A 26 10.668 3.472 -10.094 1.00 2.21 O ATOM 0 H GLU A 26 6.896 -0.096 -9.296 1.00 0.52 H new ATOM 0 HA GLU A 26 8.924 -0.171 -7.305 1.00 0.54 H new ATOM 0 HB2 GLU A 26 8.041 1.549 -9.452 1.00 0.59 H new ATOM 0 HB3 GLU A 26 8.277 2.517 -8.010 1.00 0.59 H new ATOM 0 HG2 GLU A 26 10.605 1.141 -7.929 1.00 0.93 H new ATOM 0 HG3 GLU A 26 10.306 1.031 -9.652 1.00 0.93 H new ATOM 378 N PRO A 27 7.923 1.069 -5.239 1.00 0.48 N ATOM 379 CA PRO A 27 7.276 1.585 -4.048 1.00 0.49 C ATOM 380 C PRO A 27 6.923 3.064 -4.207 1.00 0.43 C ATOM 381 O PRO A 27 5.749 3.426 -4.147 1.00 0.35 O ATOM 382 CB PRO A 27 8.248 1.320 -2.894 1.00 0.56 C ATOM 383 CG PRO A 27 9.615 1.203 -3.572 1.00 0.60 C ATOM 384 CD PRO A 27 9.290 0.665 -4.962 1.00 0.54 C ATOM 0 HA PRO A 27 6.323 1.093 -3.855 1.00 0.49 H new ATOM 0 HB2 PRO A 27 8.233 2.132 -2.166 1.00 0.56 H new ATOM 0 HB3 PRO A 27 7.990 0.407 -2.358 1.00 0.56 H new ATOM 0 HG2 PRO A 27 10.119 2.168 -3.625 1.00 0.60 H new ATOM 0 HG3 PRO A 27 10.275 0.528 -3.027 1.00 0.60 H new ATOM 0 HD2 PRO A 27 9.975 1.070 -5.707 1.00 0.54 H new ATOM 0 HD3 PRO A 27 9.390 -0.420 -4.994 1.00 0.54 H new ATOM 392 N GLN A 28 7.930 3.921 -4.413 1.00 0.53 N ATOM 393 CA GLN A 28 7.734 5.361 -4.526 1.00 0.52 C ATOM 394 C GLN A 28 6.796 5.684 -5.695 1.00 0.49 C ATOM 395 O GLN A 28 5.858 6.466 -5.547 1.00 0.52 O ATOM 396 CB GLN A 28 9.082 6.080 -4.651 1.00 0.60 C ATOM 397 CG GLN A 28 9.860 6.009 -3.327 1.00 0.76 C ATOM 398 CD GLN A 28 11.175 6.777 -3.401 1.00 0.88 C ATOM 399 OE1 GLN A 28 11.336 7.814 -2.768 1.00 2.12 O ATOM 400 NE2 GLN A 28 12.133 6.277 -4.176 1.00 1.89 N ATOM 0 H GLN A 28 8.903 3.630 -4.505 1.00 0.53 H new ATOM 0 HA GLN A 28 7.257 5.727 -3.617 1.00 0.52 H new ATOM 0 HB2 GLN A 28 9.670 5.626 -5.449 1.00 0.60 H new ATOM 0 HB3 GLN A 28 8.920 7.122 -4.928 1.00 0.60 H new ATOM 0 HG2 GLN A 28 9.247 6.415 -2.523 1.00 0.76 H new ATOM 0 HG3 GLN A 28 10.061 4.967 -3.079 1.00 0.76 H new ATOM 0 HE21 GLN A 28 11.972 5.412 -4.692 1.00 1.89 H new ATOM 0 HE22 GLN A 28 13.029 6.759 -4.254 1.00 1.89 H new ATOM 409 N LYS A 29 7.027 5.050 -6.848 1.00 0.48 N ATOM 410 CA LYS A 29 6.139 5.177 -7.996 1.00 0.43 C ATOM 411 C LYS A 29 4.689 4.944 -7.558 1.00 0.40 C ATOM 412 O LYS A 29 3.848 5.835 -7.682 1.00 0.42 O ATOM 413 CB LYS A 29 6.557 4.183 -9.090 1.00 0.52 C ATOM 414 CG LYS A 29 5.900 4.480 -10.446 1.00 0.66 C ATOM 415 CD LYS A 29 6.934 5.050 -11.425 1.00 1.34 C ATOM 416 CE LYS A 29 7.837 3.929 -11.973 1.00 2.94 C ATOM 417 NZ LYS A 29 9.261 4.315 -12.040 1.00 4.37 N ATOM 0 H LYS A 29 7.829 4.440 -7.007 1.00 0.48 H new ATOM 0 HA LYS A 29 6.212 6.184 -8.407 1.00 0.43 H new ATOM 0 HB2 LYS A 29 7.641 4.209 -9.203 1.00 0.52 H new ATOM 0 HB3 LYS A 29 6.293 3.173 -8.777 1.00 0.52 H new ATOM 0 HG2 LYS A 29 5.466 3.568 -10.855 1.00 0.66 H new ATOM 0 HG3 LYS A 29 5.084 5.190 -10.314 1.00 0.66 H new ATOM 0 HD2 LYS A 29 6.425 5.550 -12.249 1.00 1.34 H new ATOM 0 HD3 LYS A 29 7.543 5.802 -10.923 1.00 1.34 H new ATOM 0 HE2 LYS A 29 7.735 3.047 -11.341 1.00 2.94 H new ATOM 0 HE3 LYS A 29 7.495 3.649 -12.969 1.00 2.94 H new ATOM 0 HZ1 LYS A 29 9.591 4.256 -13.025 1.00 4.37 H new ATOM 0 HZ2 LYS A 29 9.373 5.290 -11.696 1.00 4.37 H new ATOM 0 HZ3 LYS A 29 9.823 3.672 -11.447 1.00 4.37 H new ATOM 431 N PHE A 30 4.405 3.752 -7.026 1.00 0.40 N ATOM 432 CA PHE A 30 3.042 3.358 -6.710 1.00 0.47 C ATOM 433 C PHE A 30 2.439 4.266 -5.635 1.00 0.46 C ATOM 434 O PHE A 30 1.286 4.672 -5.731 1.00 0.51 O ATOM 435 CB PHE A 30 3.007 1.882 -6.307 1.00 0.63 C ATOM 436 CG PHE A 30 1.644 1.251 -6.489 1.00 1.28 C ATOM 437 CD1 PHE A 30 0.619 1.481 -5.552 1.00 1.34 C ATOM 438 CD2 PHE A 30 1.389 0.470 -7.631 1.00 3.18 C ATOM 439 CE1 PHE A 30 -0.659 0.938 -5.764 1.00 1.65 C ATOM 440 CE2 PHE A 30 0.125 -0.111 -7.815 1.00 3.82 C ATOM 441 CZ PHE A 30 -0.901 0.131 -6.890 1.00 2.66 C ATOM 0 H PHE A 30 5.108 3.046 -6.807 1.00 0.40 H new ATOM 0 HA PHE A 30 2.423 3.477 -7.599 1.00 0.47 H new ATOM 0 HB2 PHE A 30 3.738 1.332 -6.900 1.00 0.63 H new ATOM 0 HB3 PHE A 30 3.308 1.789 -5.263 1.00 0.63 H new ATOM 0 HD1 PHE A 30 0.815 2.074 -4.671 1.00 1.34 H new ATOM 0 HD2 PHE A 30 2.166 0.318 -8.366 1.00 3.18 H new ATOM 0 HE1 PHE A 30 -1.455 1.140 -5.063 1.00 1.65 H new ATOM 0 HE2 PHE A 30 -0.058 -0.745 -8.670 1.00 3.82 H new ATOM 0 HZ PHE A 30 -1.878 -0.303 -7.043 1.00 2.66 H new ATOM 451 N PHE A 31 3.226 4.606 -4.614 1.00 0.48 N ATOM 452 CA PHE A 31 2.883 5.565 -3.570 1.00 0.51 C ATOM 453 C PHE A 31 2.278 6.827 -4.188 1.00 0.51 C ATOM 454 O PHE A 31 1.177 7.250 -3.823 1.00 0.63 O ATOM 455 CB PHE A 31 4.148 5.880 -2.747 1.00 0.67 C ATOM 456 CG PHE A 31 4.321 7.320 -2.306 1.00 1.81 C ATOM 457 CD1 PHE A 31 3.412 7.873 -1.396 1.00 3.18 C ATOM 458 CD2 PHE A 31 5.357 8.121 -2.831 1.00 3.28 C ATOM 459 CE1 PHE A 31 3.584 9.194 -0.960 1.00 4.71 C ATOM 460 CE2 PHE A 31 5.497 9.459 -2.429 1.00 4.81 C ATOM 461 CZ PHE A 31 4.626 9.987 -1.467 1.00 5.28 C ATOM 0 H PHE A 31 4.155 4.204 -4.489 1.00 0.48 H new ATOM 0 HA PHE A 31 2.132 5.142 -2.903 1.00 0.51 H new ATOM 0 HB2 PHE A 31 4.144 5.248 -1.859 1.00 0.67 H new ATOM 0 HB3 PHE A 31 5.019 5.596 -3.337 1.00 0.67 H new ATOM 0 HD1 PHE A 31 2.583 7.285 -1.032 1.00 3.18 H new ATOM 0 HD2 PHE A 31 6.048 7.702 -3.548 1.00 3.28 H new ATOM 0 HE1 PHE A 31 2.908 9.606 -0.226 1.00 4.71 H new ATOM 0 HE2 PHE A 31 6.271 10.077 -2.859 1.00 4.81 H new ATOM 0 HZ PHE A 31 4.756 11.000 -1.117 1.00 5.28 H new ATOM 471 N GLN A 32 3.012 7.431 -5.123 1.00 0.45 N ATOM 472 CA GLN A 32 2.629 8.703 -5.686 1.00 0.45 C ATOM 473 C GLN A 32 1.426 8.484 -6.598 1.00 0.45 C ATOM 474 O GLN A 32 0.413 9.161 -6.439 1.00 0.56 O ATOM 475 CB GLN A 32 3.830 9.370 -6.375 1.00 0.49 C ATOM 476 CG GLN A 32 3.818 10.884 -6.124 1.00 1.26 C ATOM 477 CD GLN A 32 5.081 11.554 -6.649 1.00 1.38 C ATOM 478 OE1 GLN A 32 5.971 11.901 -5.880 1.00 2.49 O ATOM 479 NE2 GLN A 32 5.174 11.747 -7.960 1.00 1.68 N ATOM 0 H GLN A 32 3.878 7.048 -5.501 1.00 0.45 H new ATOM 0 HA GLN A 32 2.323 9.403 -4.909 1.00 0.45 H new ATOM 0 HB2 GLN A 32 4.758 8.940 -5.999 1.00 0.49 H new ATOM 0 HB3 GLN A 32 3.799 9.172 -7.446 1.00 0.49 H new ATOM 0 HG2 GLN A 32 2.945 11.325 -6.605 1.00 1.26 H new ATOM 0 HG3 GLN A 32 3.723 11.075 -5.055 1.00 1.26 H new ATOM 0 HE21 GLN A 32 4.417 11.447 -8.575 1.00 1.68 H new ATOM 0 HE22 GLN A 32 6.002 12.195 -8.352 1.00 1.68 H new ATOM 488 N THR A 33 1.517 7.494 -7.495 1.00 0.42 N ATOM 489 CA THR A 33 0.475 7.156 -8.443 1.00 0.45 C ATOM 490 C THR A 33 -0.850 6.886 -7.733 1.00 0.50 C ATOM 491 O THR A 33 -1.903 7.211 -8.267 1.00 0.67 O ATOM 492 CB THR A 33 0.936 5.979 -9.332 1.00 0.44 C ATOM 493 OG1 THR A 33 0.704 6.334 -10.667 1.00 0.56 O ATOM 494 CG2 THR A 33 0.230 4.647 -9.076 1.00 0.41 C ATOM 0 H THR A 33 2.341 6.898 -7.575 1.00 0.42 H new ATOM 0 HA THR A 33 0.294 8.007 -9.100 1.00 0.45 H new ATOM 0 HB THR A 33 1.987 5.816 -9.093 1.00 0.44 H new ATOM 0 HG1 THR A 33 1.367 5.897 -11.242 1.00 0.56 H new ATOM 0 HG21 THR A 33 0.627 3.889 -9.751 1.00 0.41 H new ATOM 0 HG22 THR A 33 0.399 4.338 -8.044 1.00 0.41 H new ATOM 0 HG23 THR A 33 -0.840 4.763 -9.249 1.00 0.41 H new ATOM 502 N SER A 34 -0.785 6.272 -6.547 1.00 0.46 N ATOM 503 CA SER A 34 -1.952 5.873 -5.786 1.00 0.60 C ATOM 504 C SER A 34 -2.489 7.017 -4.920 1.00 0.77 C ATOM 505 O SER A 34 -3.480 6.815 -4.218 1.00 1.17 O ATOM 506 CB SER A 34 -1.623 4.633 -4.945 1.00 0.71 C ATOM 507 OG SER A 34 -2.794 4.122 -4.336 1.00 1.50 O ATOM 0 H SER A 34 0.097 6.039 -6.091 1.00 0.46 H new ATOM 0 HA SER A 34 -2.748 5.619 -6.486 1.00 0.60 H new ATOM 0 HB2 SER A 34 -1.171 3.868 -5.576 1.00 0.71 H new ATOM 0 HB3 SER A 34 -0.890 4.889 -4.180 1.00 0.71 H new ATOM 0 HG SER A 34 -3.438 4.849 -4.205 1.00 1.50 H new ATOM 513 N GLY A 35 -1.841 8.189 -4.910 1.00 0.59 N ATOM 514 CA GLY A 35 -2.413 9.384 -4.305 1.00 0.74 C ATOM 515 C GLY A 35 -2.194 9.429 -2.797 1.00 0.64 C ATOM 516 O GLY A 35 -2.571 10.396 -2.134 1.00 0.75 O ATOM 0 H GLY A 35 -0.916 8.328 -5.318 1.00 0.59 H new ATOM 0 HA2 GLY A 35 -1.968 10.268 -4.761 1.00 0.74 H new ATOM 0 HA3 GLY A 35 -3.482 9.420 -4.516 1.00 0.74 H new ATOM 520 N LEU A 36 -1.520 8.421 -2.243 1.00 0.55 N ATOM 521 CA LEU A 36 -1.143 8.370 -0.840 1.00 0.49 C ATOM 522 C LEU A 36 -0.257 9.578 -0.500 1.00 0.47 C ATOM 523 O LEU A 36 -0.313 10.099 0.612 1.00 0.47 O ATOM 524 CB LEU A 36 -0.451 7.026 -0.572 1.00 0.58 C ATOM 525 CG LEU A 36 -1.394 5.835 -0.324 1.00 0.96 C ATOM 526 CD1 LEU A 36 -1.965 5.845 1.097 1.00 2.44 C ATOM 527 CD2 LEU A 36 -2.541 5.727 -1.330 1.00 1.75 C ATOM 0 H LEU A 36 -1.217 7.603 -2.772 1.00 0.55 H new ATOM 0 HA LEU A 36 -2.017 8.431 -0.192 1.00 0.49 H new ATOM 0 HB2 LEU A 36 0.189 6.790 -1.423 1.00 0.58 H new ATOM 0 HB3 LEU A 36 0.200 7.139 0.295 1.00 0.58 H new ATOM 0 HG LEU A 36 -0.763 4.957 -0.459 1.00 0.96 H new ATOM 0 HD11 LEU A 36 -2.625 4.988 1.230 1.00 2.44 H new ATOM 0 HD12 LEU A 36 -1.149 5.790 1.817 1.00 2.44 H new ATOM 0 HD13 LEU A 36 -2.528 6.765 1.256 1.00 2.44 H new ATOM 0 HD21 LEU A 36 -3.159 4.863 -1.086 1.00 1.75 H new ATOM 0 HD22 LEU A 36 -3.148 6.631 -1.288 1.00 1.75 H new ATOM 0 HD23 LEU A 36 -2.134 5.610 -2.334 1.00 1.75 H new ATOM 539 N SER A 37 0.510 10.061 -1.483 1.00 0.62 N ATOM 540 CA SER A 37 1.223 11.331 -1.432 1.00 0.94 C ATOM 541 C SER A 37 0.306 12.490 -1.065 1.00 0.94 C ATOM 542 O SER A 37 0.692 13.378 -0.308 1.00 1.05 O ATOM 543 CB SER A 37 1.850 11.580 -2.808 1.00 1.54 C ATOM 544 OG SER A 37 0.874 11.453 -3.832 1.00 3.18 O ATOM 0 H SER A 37 0.653 9.560 -2.360 1.00 0.62 H new ATOM 0 HA SER A 37 1.987 11.273 -0.657 1.00 0.94 H new ATOM 0 HB2 SER A 37 2.289 12.577 -2.838 1.00 1.54 H new ATOM 0 HB3 SER A 37 2.659 10.870 -2.979 1.00 1.54 H new ATOM 0 HG SER A 37 1.291 11.617 -4.704 1.00 3.18 H new ATOM 550 N LYS A 38 -0.891 12.505 -1.646 1.00 0.97 N ATOM 551 CA LYS A 38 -1.774 13.647 -1.600 1.00 1.11 C ATOM 552 C LYS A 38 -2.706 13.522 -0.401 1.00 1.08 C ATOM 553 O LYS A 38 -3.172 14.530 0.126 1.00 1.29 O ATOM 554 CB LYS A 38 -2.556 13.754 -2.919 1.00 1.19 C ATOM 555 CG LYS A 38 -2.813 15.221 -3.302 1.00 1.70 C ATOM 556 CD LYS A 38 -4.288 15.465 -3.635 1.00 3.59 C ATOM 557 CE LYS A 38 -4.481 16.922 -4.081 1.00 4.17 C ATOM 558 NZ LYS A 38 -5.899 17.243 -4.334 1.00 5.88 N ATOM 0 H LYS A 38 -1.271 11.713 -2.165 1.00 0.97 H new ATOM 0 HA LYS A 38 -1.194 14.562 -1.483 1.00 1.11 H new ATOM 0 HB2 LYS A 38 -1.998 13.261 -3.715 1.00 1.19 H new ATOM 0 HB3 LYS A 38 -3.507 13.229 -2.824 1.00 1.19 H new ATOM 0 HG2 LYS A 38 -2.512 15.871 -2.480 1.00 1.70 H new ATOM 0 HG3 LYS A 38 -2.196 15.487 -4.160 1.00 1.70 H new ATOM 0 HD2 LYS A 38 -4.610 14.787 -4.425 1.00 3.59 H new ATOM 0 HD3 LYS A 38 -4.908 15.256 -2.763 1.00 3.59 H new ATOM 0 HE2 LYS A 38 -4.090 17.590 -3.314 1.00 4.17 H new ATOM 0 HE3 LYS A 38 -3.902 17.103 -4.986 1.00 4.17 H new ATOM 0 HZ1 LYS A 38 -5.982 18.236 -4.632 1.00 5.88 H new ATOM 0 HZ2 LYS A 38 -6.267 16.624 -5.084 1.00 5.88 H new ATOM 0 HZ3 LYS A 38 -6.449 17.096 -3.464 1.00 5.88 H new ATOM 572 N MET A 39 -2.994 12.281 0.003 1.00 0.87 N ATOM 573 CA MET A 39 -3.937 11.981 1.066 1.00 1.02 C ATOM 574 C MET A 39 -3.650 12.738 2.377 1.00 1.38 C ATOM 575 O MET A 39 -4.582 13.262 2.980 1.00 3.37 O ATOM 576 CB MET A 39 -3.967 10.464 1.269 1.00 0.75 C ATOM 577 CG MET A 39 -4.828 9.697 0.253 1.00 1.08 C ATOM 578 SD MET A 39 -6.634 9.657 0.474 1.00 1.86 S ATOM 579 CE MET A 39 -7.165 11.249 -0.202 1.00 2.31 C ATOM 0 H MET A 39 -2.569 11.451 -0.410 1.00 0.87 H new ATOM 0 HA MET A 39 -4.922 12.335 0.762 1.00 1.02 H new ATOM 0 HB2 MET A 39 -2.946 10.084 1.220 1.00 0.75 H new ATOM 0 HB3 MET A 39 -4.338 10.253 2.272 1.00 0.75 H new ATOM 0 HG2 MET A 39 -4.627 10.118 -0.732 1.00 1.08 H new ATOM 0 HG3 MET A 39 -4.476 8.665 0.237 1.00 1.08 H new ATOM 0 HE1 MET A 39 -8.155 11.144 -0.645 1.00 2.31 H new ATOM 0 HE2 MET A 39 -7.202 11.989 0.597 1.00 2.31 H new ATOM 0 HE3 MET A 39 -6.458 11.574 -0.966 1.00 2.31 H new ATOM 589 N SER A 40 -2.385 12.754 2.818 1.00 1.06 N ATOM 590 CA SER A 40 -1.863 13.340 4.048 1.00 0.92 C ATOM 591 C SER A 40 -1.829 12.283 5.146 1.00 0.71 C ATOM 592 O SER A 40 -2.680 11.396 5.179 1.00 0.61 O ATOM 593 CB SER A 40 -2.584 14.622 4.498 1.00 1.01 C ATOM 594 OG SER A 40 -2.616 15.583 3.462 1.00 2.19 O ATOM 0 H SER A 40 -1.641 12.318 2.272 1.00 1.06 H new ATOM 0 HA SER A 40 -0.847 13.670 3.833 1.00 0.92 H new ATOM 0 HB2 SER A 40 -3.602 14.381 4.805 1.00 1.01 H new ATOM 0 HB3 SER A 40 -2.079 15.039 5.369 1.00 1.01 H new ATOM 0 HG SER A 40 -3.081 16.386 3.775 1.00 2.19 H new ATOM 600 N ALA A 41 -0.846 12.389 6.050 1.00 0.74 N ATOM 601 CA ALA A 41 -0.560 11.429 7.116 1.00 0.73 C ATOM 602 C ALA A 41 -1.819 10.891 7.797 1.00 0.76 C ATOM 603 O ALA A 41 -1.877 9.723 8.172 1.00 0.79 O ATOM 604 CB ALA A 41 0.331 12.092 8.172 1.00 0.76 C ATOM 0 H ALA A 41 -0.203 13.181 6.056 1.00 0.74 H new ATOM 0 HA ALA A 41 -0.057 10.582 6.650 1.00 0.73 H new ATOM 0 HB1 ALA A 41 0.545 11.378 8.967 1.00 0.76 H new ATOM 0 HB2 ALA A 41 1.265 12.412 7.711 1.00 0.76 H new ATOM 0 HB3 ALA A 41 -0.183 12.958 8.590 1.00 0.76 H new ATOM 610 N ASN A 42 -2.819 11.760 7.956 1.00 0.80 N ATOM 611 CA ASN A 42 -4.037 11.437 8.686 1.00 0.86 C ATOM 612 C ASN A 42 -4.808 10.389 7.895 1.00 0.74 C ATOM 613 O ASN A 42 -4.988 9.258 8.344 1.00 0.87 O ATOM 614 CB ASN A 42 -4.887 12.698 8.909 1.00 0.97 C ATOM 615 CG ASN A 42 -4.178 13.742 9.768 1.00 1.26 C ATOM 616 OD1 ASN A 42 -3.442 13.410 10.691 1.00 2.06 O ATOM 617 ND2 ASN A 42 -4.374 15.021 9.461 1.00 1.36 N ATOM 0 H ASN A 42 -2.803 12.708 7.580 1.00 0.80 H new ATOM 0 HA ASN A 42 -3.787 11.039 9.670 1.00 0.86 H new ATOM 0 HB2 ASN A 42 -5.138 13.137 7.944 1.00 0.97 H new ATOM 0 HB3 ASN A 42 -5.826 12.418 9.386 1.00 0.97 H new ATOM 0 HD21 ASN A 42 -3.907 15.752 9.998 1.00 1.36 H new ATOM 0 HD22 ASN A 42 -4.991 15.271 8.688 1.00 1.36 H new ATOM 624 N GLN A 43 -5.192 10.764 6.671 1.00 0.58 N ATOM 625 CA GLN A 43 -5.854 9.866 5.746 1.00 0.54 C ATOM 626 C GLN A 43 -5.009 8.607 5.592 1.00 0.51 C ATOM 627 O GLN A 43 -5.526 7.512 5.738 1.00 0.57 O ATOM 628 CB GLN A 43 -6.052 10.562 4.397 1.00 0.54 C ATOM 629 CG GLN A 43 -7.209 11.571 4.408 1.00 0.76 C ATOM 630 CD GLN A 43 -8.573 10.892 4.486 1.00 1.18 C ATOM 631 OE1 GLN A 43 -9.357 11.159 5.388 1.00 2.71 O ATOM 632 NE2 GLN A 43 -8.874 10.010 3.536 1.00 1.23 N ATOM 0 H GLN A 43 -5.048 11.704 6.302 1.00 0.58 H new ATOM 0 HA GLN A 43 -6.836 9.590 6.129 1.00 0.54 H new ATOM 0 HB2 GLN A 43 -5.131 11.076 4.121 1.00 0.54 H new ATOM 0 HB3 GLN A 43 -6.240 9.810 3.630 1.00 0.54 H new ATOM 0 HG2 GLN A 43 -7.092 12.244 5.257 1.00 0.76 H new ATOM 0 HG3 GLN A 43 -7.162 12.183 3.507 1.00 0.76 H new ATOM 0 HE21 GLN A 43 -8.201 9.807 2.797 1.00 1.23 H new ATOM 0 HE22 GLN A 43 -9.778 9.537 3.547 1.00 1.23 H new ATOM 641 N VAL A 44 -3.708 8.744 5.326 1.00 0.48 N ATOM 642 CA VAL A 44 -2.818 7.608 5.119 1.00 0.50 C ATOM 643 C VAL A 44 -2.886 6.625 6.300 1.00 0.61 C ATOM 644 O VAL A 44 -3.000 5.413 6.114 1.00 0.65 O ATOM 645 CB VAL A 44 -1.396 8.143 4.887 1.00 0.53 C ATOM 646 CG1 VAL A 44 -0.349 7.027 4.851 1.00 0.58 C ATOM 647 CG2 VAL A 44 -1.320 8.928 3.570 1.00 0.54 C ATOM 0 H VAL A 44 -3.245 9.649 5.249 1.00 0.48 H new ATOM 0 HA VAL A 44 -3.131 7.043 4.241 1.00 0.50 H new ATOM 0 HB VAL A 44 -1.175 8.797 5.731 1.00 0.53 H new ATOM 0 HG11 VAL A 44 0.638 7.459 4.685 1.00 0.58 H new ATOM 0 HG12 VAL A 44 -0.355 6.492 5.800 1.00 0.58 H new ATOM 0 HG13 VAL A 44 -0.583 6.335 4.042 1.00 0.58 H new ATOM 0 HG21 VAL A 44 -0.305 9.298 3.425 1.00 0.54 H new ATOM 0 HG22 VAL A 44 -1.590 8.274 2.741 1.00 0.54 H new ATOM 0 HG23 VAL A 44 -2.011 9.770 3.608 1.00 0.54 H new ATOM 657 N LYS A 45 -2.818 7.127 7.531 1.00 0.72 N ATOM 658 CA LYS A 45 -2.941 6.283 8.708 1.00 0.90 C ATOM 659 C LYS A 45 -4.324 5.618 8.760 1.00 0.90 C ATOM 660 O LYS A 45 -4.440 4.430 9.071 1.00 0.99 O ATOM 661 CB LYS A 45 -2.632 7.125 9.946 1.00 1.04 C ATOM 662 CG LYS A 45 -2.867 6.354 11.251 1.00 0.96 C ATOM 663 CD LYS A 45 -4.066 6.979 11.970 1.00 1.96 C ATOM 664 CE LYS A 45 -4.424 6.217 13.247 1.00 2.78 C ATOM 665 NZ LYS A 45 -5.392 6.988 14.051 1.00 4.17 N ATOM 0 H LYS A 45 -2.678 8.117 7.735 1.00 0.72 H new ATOM 0 HA LYS A 45 -2.222 5.465 8.668 1.00 0.90 H new ATOM 0 HB2 LYS A 45 -1.595 7.458 9.906 1.00 1.04 H new ATOM 0 HB3 LYS A 45 -3.255 8.019 9.938 1.00 1.04 H new ATOM 0 HG2 LYS A 45 -3.057 5.301 11.041 1.00 0.96 H new ATOM 0 HG3 LYS A 45 -1.980 6.398 11.883 1.00 0.96 H new ATOM 0 HD2 LYS A 45 -3.841 8.017 12.217 1.00 1.96 H new ATOM 0 HD3 LYS A 45 -4.926 6.990 11.300 1.00 1.96 H new ATOM 0 HE2 LYS A 45 -4.846 5.245 12.992 1.00 2.78 H new ATOM 0 HE3 LYS A 45 -3.523 6.030 13.831 1.00 2.78 H new ATOM 0 HZ1 LYS A 45 -5.626 6.458 14.915 1.00 4.17 H new ATOM 0 HZ2 LYS A 45 -4.976 7.905 14.309 1.00 4.17 H new ATOM 0 HZ3 LYS A 45 -6.258 7.144 13.496 1.00 4.17 H new ATOM 679 N ASP A 46 -5.384 6.366 8.467 1.00 0.85 N ATOM 680 CA ASP A 46 -6.724 5.804 8.518 1.00 0.91 C ATOM 681 C ASP A 46 -6.886 4.714 7.447 1.00 0.71 C ATOM 682 O ASP A 46 -7.322 3.607 7.764 1.00 0.73 O ATOM 683 CB ASP A 46 -7.775 6.919 8.461 1.00 1.06 C ATOM 684 CG ASP A 46 -7.713 7.845 9.682 1.00 2.38 C ATOM 685 OD1 ASP A 46 -7.346 7.358 10.780 1.00 3.78 O ATOM 686 OD2 ASP A 46 -8.043 9.034 9.499 1.00 2.96 O ATOM 0 H ASP A 46 -5.340 7.348 8.196 1.00 0.85 H new ATOM 0 HA ASP A 46 -6.886 5.302 9.472 1.00 0.91 H new ATOM 0 HB2 ASP A 46 -7.628 7.507 7.555 1.00 1.06 H new ATOM 0 HB3 ASP A 46 -8.768 6.475 8.395 1.00 1.06 H new ATOM 691 N VAL A 47 -6.490 4.972 6.193 1.00 0.57 N ATOM 692 CA VAL A 47 -6.508 3.962 5.140 1.00 0.50 C ATOM 693 C VAL A 47 -5.671 2.749 5.553 1.00 0.60 C ATOM 694 O VAL A 47 -6.128 1.616 5.402 1.00 0.67 O ATOM 695 CB VAL A 47 -6.156 4.495 3.732 1.00 0.43 C ATOM 696 CG1 VAL A 47 -6.872 5.803 3.368 1.00 0.43 C ATOM 697 CG2 VAL A 47 -4.671 4.617 3.413 1.00 0.61 C ATOM 0 H VAL A 47 -6.151 5.884 5.887 1.00 0.57 H new ATOM 0 HA VAL A 47 -7.544 3.640 5.034 1.00 0.50 H new ATOM 0 HB VAL A 47 -6.538 3.694 3.099 1.00 0.43 H new ATOM 0 HG11 VAL A 47 -6.575 6.114 2.367 1.00 0.43 H new ATOM 0 HG12 VAL A 47 -7.950 5.647 3.394 1.00 0.43 H new ATOM 0 HG13 VAL A 47 -6.600 6.578 4.084 1.00 0.43 H new ATOM 0 HG21 VAL A 47 -4.547 5.000 2.400 1.00 0.61 H new ATOM 0 HG22 VAL A 47 -4.202 5.301 4.120 1.00 0.61 H new ATOM 0 HG23 VAL A 47 -4.201 3.637 3.490 1.00 0.61 H new ATOM 707 N PHE A 48 -4.477 2.975 6.126 1.00 0.67 N ATOM 708 CA PHE A 48 -3.676 1.898 6.696 1.00 0.83 C ATOM 709 C PHE A 48 -4.562 1.025 7.591 1.00 0.87 C ATOM 710 O PHE A 48 -4.639 -0.184 7.378 1.00 0.95 O ATOM 711 CB PHE A 48 -2.431 2.455 7.404 1.00 0.97 C ATOM 712 CG PHE A 48 -1.670 1.455 8.253 1.00 1.80 C ATOM 713 CD1 PHE A 48 -2.170 1.094 9.519 1.00 2.85 C ATOM 714 CD2 PHE A 48 -0.460 0.899 7.801 1.00 2.96 C ATOM 715 CE1 PHE A 48 -1.536 0.089 10.266 1.00 4.08 C ATOM 716 CE2 PHE A 48 0.257 0.015 8.626 1.00 3.98 C ATOM 717 CZ PHE A 48 -0.285 -0.395 9.854 1.00 4.31 C ATOM 0 H PHE A 48 -4.051 3.899 6.203 1.00 0.67 H new ATOM 0 HA PHE A 48 -3.292 1.255 5.904 1.00 0.83 H new ATOM 0 HB2 PHE A 48 -1.754 2.858 6.651 1.00 0.97 H new ATOM 0 HB3 PHE A 48 -2.735 3.288 8.037 1.00 0.97 H new ATOM 0 HD1 PHE A 48 -3.043 1.591 9.916 1.00 2.85 H new ATOM 0 HD2 PHE A 48 -0.082 1.151 6.821 1.00 2.96 H new ATOM 0 HE1 PHE A 48 -2.008 -0.309 11.152 1.00 4.08 H new ATOM 0 HE2 PHE A 48 1.225 -0.349 8.315 1.00 3.98 H new ATOM 0 HZ PHE A 48 0.261 -1.083 10.482 1.00 4.31 H new ATOM 727 N ARG A 49 -5.277 1.627 8.550 1.00 0.87 N ATOM 728 CA ARG A 49 -6.145 0.846 9.424 1.00 0.93 C ATOM 729 C ARG A 49 -7.336 0.207 8.700 1.00 0.60 C ATOM 730 O ARG A 49 -7.737 -0.888 9.083 1.00 0.65 O ATOM 731 CB ARG A 49 -6.558 1.609 10.695 1.00 1.29 C ATOM 732 CG ARG A 49 -5.688 1.149 11.878 1.00 2.29 C ATOM 733 CD ARG A 49 -6.288 1.518 13.240 1.00 2.92 C ATOM 734 NE ARG A 49 -5.812 0.591 14.287 1.00 3.95 N ATOM 735 CZ ARG A 49 -6.252 0.566 15.556 1.00 4.38 C ATOM 736 NH1 ARG A 49 -7.108 1.502 15.978 1.00 4.05 N ATOM 737 NH2 ARG A 49 -5.842 -0.389 16.397 1.00 5.50 N ATOM 0 H ARG A 49 -5.270 2.630 8.734 1.00 0.87 H new ATOM 0 HA ARG A 49 -5.532 0.009 9.758 1.00 0.93 H new ATOM 0 HB2 ARG A 49 -6.443 2.682 10.541 1.00 1.29 H new ATOM 0 HB3 ARG A 49 -7.611 1.430 10.913 1.00 1.29 H new ATOM 0 HG2 ARG A 49 -5.555 0.068 11.826 1.00 2.29 H new ATOM 0 HG3 ARG A 49 -4.698 1.596 11.790 1.00 2.29 H new ATOM 0 HD2 ARG A 49 -6.013 2.540 13.500 1.00 2.92 H new ATOM 0 HD3 ARG A 49 -7.376 1.485 13.185 1.00 2.92 H new ATOM 0 HE ARG A 49 -5.093 -0.083 14.026 1.00 3.95 H new ATOM 0 HH11 ARG A 49 -7.424 2.230 15.338 1.00 4.05 H new ATOM 0 HH12 ARG A 49 -7.445 1.488 16.940 1.00 4.05 H new ATOM 0 HH21 ARG A 49 -5.191 -1.105 16.077 1.00 5.50 H new ATOM 0 HH22 ARG A 49 -6.181 -0.401 17.359 1.00 5.50 H new ATOM 751 N PHE A 50 -7.898 0.832 7.658 1.00 0.41 N ATOM 752 CA PHE A 50 -8.892 0.140 6.835 1.00 0.43 C ATOM 753 C PHE A 50 -8.318 -1.170 6.277 1.00 0.56 C ATOM 754 O PHE A 50 -9.034 -2.167 6.202 1.00 0.73 O ATOM 755 CB PHE A 50 -9.429 1.025 5.697 1.00 0.49 C ATOM 756 CG PHE A 50 -10.600 1.924 6.060 1.00 1.53 C ATOM 757 CD1 PHE A 50 -11.914 1.424 5.982 1.00 2.30 C ATOM 758 CD2 PHE A 50 -10.394 3.279 6.379 1.00 3.23 C ATOM 759 CE1 PHE A 50 -13.011 2.277 6.195 1.00 3.26 C ATOM 760 CE2 PHE A 50 -11.490 4.129 6.609 1.00 4.37 C ATOM 761 CZ PHE A 50 -12.800 3.631 6.507 1.00 4.04 C ATOM 0 H PHE A 50 -7.688 1.788 7.372 1.00 0.41 H new ATOM 0 HA PHE A 50 -9.736 -0.093 7.484 1.00 0.43 H new ATOM 0 HB2 PHE A 50 -8.614 1.650 5.332 1.00 0.49 H new ATOM 0 HB3 PHE A 50 -9.731 0.381 4.872 1.00 0.49 H new ATOM 0 HD1 PHE A 50 -12.080 0.381 5.758 1.00 2.30 H new ATOM 0 HD2 PHE A 50 -9.389 3.668 6.447 1.00 3.23 H new ATOM 0 HE1 PHE A 50 -14.017 1.891 6.119 1.00 3.26 H new ATOM 0 HE2 PHE A 50 -11.325 5.165 6.864 1.00 4.37 H new ATOM 0 HZ PHE A 50 -13.643 4.287 6.668 1.00 4.04 H new ATOM 771 N ILE A 51 -7.049 -1.179 5.852 1.00 0.68 N ATOM 772 CA ILE A 51 -6.441 -2.375 5.275 1.00 0.99 C ATOM 773 C ILE A 51 -6.019 -3.385 6.358 1.00 0.94 C ATOM 774 O ILE A 51 -6.233 -4.593 6.174 1.00 1.48 O ATOM 775 CB ILE A 51 -5.288 -2.012 4.316 1.00 1.35 C ATOM 776 CG1 ILE A 51 -5.778 -1.546 2.927 1.00 1.97 C ATOM 777 CG2 ILE A 51 -4.434 -3.263 4.071 1.00 1.43 C ATOM 778 CD1 ILE A 51 -6.514 -0.205 2.887 1.00 1.27 C ATOM 0 H ILE A 51 -6.428 -0.371 5.898 1.00 0.68 H new ATOM 0 HA ILE A 51 -7.201 -2.876 4.676 1.00 0.99 H new ATOM 0 HB ILE A 51 -4.737 -1.200 4.790 1.00 1.35 H new ATOM 0 HG12 ILE A 51 -4.916 -1.484 2.262 1.00 1.97 H new ATOM 0 HG13 ILE A 51 -6.439 -2.312 2.522 1.00 1.97 H new ATOM 0 HG21 ILE A 51 -3.616 -3.018 3.394 1.00 1.43 H new ATOM 0 HG22 ILE A 51 -4.028 -3.617 5.018 1.00 1.43 H new ATOM 0 HG23 ILE A 51 -5.051 -4.044 3.626 1.00 1.43 H new ATOM 0 HD11 ILE A 51 -6.810 0.017 1.862 1.00 1.27 H new ATOM 0 HD12 ILE A 51 -7.402 -0.258 3.517 1.00 1.27 H new ATOM 0 HD13 ILE A 51 -5.856 0.582 3.254 1.00 1.27 H new ATOM 790 N ASP A 52 -5.383 -2.908 7.442 1.00 0.85 N ATOM 791 CA ASP A 52 -4.933 -3.716 8.580 1.00 0.78 C ATOM 792 C ASP A 52 -6.151 -4.288 9.299 1.00 0.92 C ATOM 793 O ASP A 52 -6.596 -3.763 10.315 1.00 1.76 O ATOM 794 CB ASP A 52 -4.038 -2.893 9.525 1.00 0.86 C ATOM 795 CG ASP A 52 -3.567 -3.662 10.759 1.00 0.79 C ATOM 796 OD1 ASP A 52 -3.365 -4.894 10.662 1.00 1.23 O ATOM 797 OD2 ASP A 52 -3.361 -3.009 11.806 1.00 1.64 O ATOM 0 H ASP A 52 -5.163 -1.918 7.550 1.00 0.85 H new ATOM 0 HA ASP A 52 -4.322 -4.544 8.220 1.00 0.78 H new ATOM 0 HB2 ASP A 52 -3.166 -2.545 8.972 1.00 0.86 H new ATOM 0 HB3 ASP A 52 -4.585 -2.007 9.848 1.00 0.86 H new ATOM 802 N ASN A 53 -6.699 -5.356 8.725 1.00 0.68 N ATOM 803 CA ASN A 53 -7.939 -6.016 9.123 1.00 0.76 C ATOM 804 C ASN A 53 -8.039 -6.207 10.641 1.00 0.74 C ATOM 805 O ASN A 53 -8.984 -5.743 11.274 1.00 1.57 O ATOM 806 CB ASN A 53 -8.028 -7.352 8.379 1.00 1.18 C ATOM 807 CG ASN A 53 -9.257 -8.151 8.792 1.00 1.62 C ATOM 808 OD1 ASN A 53 -10.355 -7.893 8.313 1.00 2.12 O ATOM 809 ND2 ASN A 53 -9.080 -9.143 9.658 1.00 2.04 N ATOM 0 H ASN A 53 -6.263 -5.810 7.922 1.00 0.68 H new ATOM 0 HA ASN A 53 -8.784 -5.382 8.853 1.00 0.76 H new ATOM 0 HB2 ASN A 53 -8.059 -7.168 7.305 1.00 1.18 H new ATOM 0 HB3 ASN A 53 -7.131 -7.938 8.577 1.00 1.18 H new ATOM 0 HD21 ASN A 53 -9.873 -9.718 9.944 1.00 2.04 H new ATOM 0 HD22 ASN A 53 -8.152 -9.330 10.037 1.00 2.04 H new ATOM 816 N ASP A 54 -7.048 -6.885 11.217 1.00 0.64 N ATOM 817 CA ASP A 54 -6.900 -7.140 12.651 1.00 0.73 C ATOM 818 C ASP A 54 -6.773 -5.859 13.489 1.00 0.74 C ATOM 819 O ASP A 54 -6.905 -5.920 14.710 1.00 1.12 O ATOM 820 CB ASP A 54 -5.717 -8.101 12.934 1.00 1.07 C ATOM 821 CG ASP A 54 -4.712 -8.216 11.797 1.00 1.21 C ATOM 822 OD1 ASP A 54 -5.150 -8.663 10.719 1.00 2.52 O ATOM 823 OD2 ASP A 54 -3.548 -7.789 11.986 1.00 1.73 O ATOM 0 H ASP A 54 -6.289 -7.292 10.671 1.00 0.64 H new ATOM 0 HA ASP A 54 -7.826 -7.623 12.964 1.00 0.73 H new ATOM 0 HB2 ASP A 54 -5.196 -7.762 13.830 1.00 1.07 H new ATOM 0 HB3 ASP A 54 -6.115 -9.092 13.152 1.00 1.07 H new ATOM 828 N GLN A 55 -6.489 -4.709 12.870 1.00 0.65 N ATOM 829 CA GLN A 55 -6.244 -3.437 13.537 1.00 0.91 C ATOM 830 C GLN A 55 -5.092 -3.547 14.541 1.00 1.11 C ATOM 831 O GLN A 55 -5.032 -2.788 15.513 1.00 1.58 O ATOM 832 CB GLN A 55 -7.546 -2.880 14.153 1.00 1.00 C ATOM 833 CG GLN A 55 -8.301 -1.965 13.184 1.00 2.26 C ATOM 834 CD GLN A 55 -9.362 -1.165 13.932 1.00 2.42 C ATOM 835 OE1 GLN A 55 -9.118 -0.031 14.338 1.00 3.11 O ATOM 836 NE2 GLN A 55 -10.532 -1.754 14.159 1.00 2.50 N ATOM 0 H GLN A 55 -6.422 -4.641 11.854 1.00 0.65 H new ATOM 0 HA GLN A 55 -5.921 -2.709 12.793 1.00 0.91 H new ATOM 0 HB2 GLN A 55 -8.191 -3.709 14.444 1.00 1.00 H new ATOM 0 HB3 GLN A 55 -7.308 -2.327 15.061 1.00 1.00 H new ATOM 0 HG2 GLN A 55 -7.602 -1.287 12.694 1.00 2.26 H new ATOM 0 HG3 GLN A 55 -8.770 -2.561 12.401 1.00 2.26 H new ATOM 0 HE21 GLN A 55 -10.705 -2.696 13.809 1.00 2.50 H new ATOM 0 HE22 GLN A 55 -11.257 -1.264 14.683 1.00 2.50 H new ATOM 845 N SER A 56 -4.131 -4.436 14.279 1.00 0.96 N ATOM 846 CA SER A 56 -2.964 -4.629 15.123 1.00 1.14 C ATOM 847 C SER A 56 -2.082 -3.376 15.163 1.00 1.28 C ATOM 848 O SER A 56 -1.283 -3.224 16.084 1.00 1.57 O ATOM 849 CB SER A 56 -2.187 -5.860 14.639 1.00 1.10 C ATOM 850 OG SER A 56 -2.288 -6.006 13.233 1.00 1.09 O ATOM 0 H SER A 56 -4.148 -5.047 13.462 1.00 0.96 H new ATOM 0 HA SER A 56 -3.292 -4.803 16.148 1.00 1.14 H new ATOM 0 HB2 SER A 56 -1.139 -5.768 14.924 1.00 1.10 H new ATOM 0 HB3 SER A 56 -2.573 -6.754 15.129 1.00 1.10 H new ATOM 856 N GLY A 57 -2.207 -2.489 14.172 1.00 1.28 N ATOM 857 CA GLY A 57 -1.328 -1.343 14.001 1.00 1.51 C ATOM 858 C GLY A 57 -0.092 -1.736 13.190 1.00 1.38 C ATOM 859 O GLY A 57 0.894 -0.998 13.162 1.00 1.58 O ATOM 0 H GLY A 57 -2.934 -2.553 13.459 1.00 1.28 H new ATOM 0 HA2 GLY A 57 -1.862 -0.539 13.495 1.00 1.51 H new ATOM 0 HA3 GLY A 57 -1.025 -0.960 14.976 1.00 1.51 H new ATOM 863 N TYR A 58 -0.156 -2.890 12.516 1.00 1.29 N ATOM 864 CA TYR A 58 0.940 -3.471 11.762 1.00 1.09 C ATOM 865 C TYR A 58 0.399 -3.992 10.446 1.00 1.04 C ATOM 866 O TYR A 58 -0.504 -4.833 10.455 1.00 0.97 O ATOM 867 CB TYR A 58 1.599 -4.602 12.561 1.00 1.15 C ATOM 868 CG TYR A 58 2.380 -4.115 13.763 1.00 1.29 C ATOM 869 CD1 TYR A 58 3.652 -3.540 13.585 1.00 1.88 C ATOM 870 CD2 TYR A 58 1.807 -4.159 15.046 1.00 2.52 C ATOM 871 CE1 TYR A 58 4.338 -2.996 14.684 1.00 1.99 C ATOM 872 CE2 TYR A 58 2.495 -3.618 16.146 1.00 2.83 C ATOM 873 CZ TYR A 58 3.756 -3.028 15.962 1.00 1.93 C ATOM 874 OH TYR A 58 4.425 -2.495 17.023 1.00 2.32 O ATOM 0 H TYR A 58 -1.003 -3.457 12.485 1.00 1.29 H new ATOM 0 HA TYR A 58 1.699 -2.713 11.571 1.00 1.09 H new ATOM 0 HB2 TYR A 58 0.829 -5.297 12.895 1.00 1.15 H new ATOM 0 HB3 TYR A 58 2.267 -5.159 11.904 1.00 1.15 H new ATOM 0 HD1 TYR A 58 4.101 -3.517 12.603 1.00 1.88 H new ATOM 0 HD2 TYR A 58 0.836 -4.610 15.187 1.00 2.52 H new ATOM 0 HE1 TYR A 58 5.313 -2.553 14.546 1.00 1.99 H new ATOM 0 HE2 TYR A 58 2.054 -3.656 17.131 1.00 2.83 H new ATOM 0 HH TYR A 58 3.885 -2.597 17.835 1.00 2.32 H new ATOM 884 N LEU A 59 0.989 -3.532 9.337 1.00 1.05 N ATOM 885 CA LEU A 59 1.032 -4.310 8.116 1.00 0.75 C ATOM 886 C LEU A 59 2.060 -5.403 8.408 1.00 0.58 C ATOM 887 O LEU A 59 3.249 -5.270 8.115 1.00 0.73 O ATOM 888 CB LEU A 59 1.436 -3.452 6.903 1.00 0.84 C ATOM 889 CG LEU A 59 0.380 -2.482 6.324 1.00 1.33 C ATOM 890 CD1 LEU A 59 0.138 -2.773 4.840 1.00 2.62 C ATOM 891 CD2 LEU A 59 -0.990 -2.480 7.012 1.00 1.80 C ATOM 0 H LEU A 59 1.442 -2.620 9.271 1.00 1.05 H new ATOM 0 HA LEU A 59 0.057 -4.719 7.851 1.00 0.75 H new ATOM 0 HB2 LEU A 59 2.311 -2.866 7.183 1.00 0.84 H new ATOM 0 HB3 LEU A 59 1.746 -4.126 6.104 1.00 0.84 H new ATOM 0 HG LEU A 59 0.823 -1.502 6.499 1.00 1.33 H new ATOM 0 HD11 LEU A 59 -0.608 -2.080 4.450 1.00 2.62 H new ATOM 0 HD12 LEU A 59 1.070 -2.650 4.288 1.00 2.62 H new ATOM 0 HD13 LEU A 59 -0.221 -3.796 4.724 1.00 2.62 H new ATOM 0 HD21 LEU A 59 -1.644 -1.761 6.518 1.00 1.80 H new ATOM 0 HD22 LEU A 59 -1.431 -3.475 6.948 1.00 1.80 H new ATOM 0 HD23 LEU A 59 -0.871 -2.202 8.059 1.00 1.80 H new ATOM 903 N ASP A 60 1.593 -6.466 9.058 1.00 0.72 N ATOM 904 CA ASP A 60 2.338 -7.706 9.160 1.00 0.81 C ATOM 905 C ASP A 60 2.424 -8.301 7.749 1.00 0.71 C ATOM 906 O ASP A 60 1.669 -7.906 6.857 1.00 0.64 O ATOM 907 CB ASP A 60 1.658 -8.698 10.121 1.00 0.95 C ATOM 908 CG ASP A 60 1.102 -8.097 11.411 1.00 1.23 C ATOM 909 OD1 ASP A 60 -0.042 -7.579 11.374 1.00 3.07 O ATOM 910 OD2 ASP A 60 1.809 -8.202 12.437 1.00 1.73 O ATOM 0 H ASP A 60 0.687 -6.486 9.527 1.00 0.72 H new ATOM 0 HA ASP A 60 3.331 -7.510 9.564 1.00 0.81 H new ATOM 0 HB2 ASP A 60 0.842 -9.189 9.590 1.00 0.95 H new ATOM 0 HB3 ASP A 60 2.379 -9.472 10.384 1.00 0.95 H new ATOM 915 N GLU A 61 3.317 -9.271 7.544 1.00 0.90 N ATOM 916 CA GLU A 61 3.586 -9.886 6.252 1.00 0.97 C ATOM 917 C GLU A 61 2.306 -10.161 5.461 1.00 0.78 C ATOM 918 O GLU A 61 2.183 -9.770 4.301 1.00 0.74 O ATOM 919 CB GLU A 61 4.412 -11.159 6.446 1.00 1.43 C ATOM 920 CG GLU A 61 5.766 -10.834 7.094 1.00 2.57 C ATOM 921 CD GLU A 61 5.774 -11.096 8.594 1.00 4.64 C ATOM 922 OE1 GLU A 61 5.032 -10.368 9.288 1.00 5.94 O ATOM 923 OE2 GLU A 61 6.506 -12.013 9.018 1.00 5.43 O ATOM 0 H GLU A 61 3.887 -9.658 8.296 1.00 0.90 H new ATOM 0 HA GLU A 61 4.163 -9.179 5.656 1.00 0.97 H new ATOM 0 HB2 GLU A 61 3.863 -11.863 7.072 1.00 1.43 H new ATOM 0 HB3 GLU A 61 4.571 -11.645 5.484 1.00 1.43 H new ATOM 0 HG2 GLU A 61 6.544 -11.432 6.620 1.00 2.57 H new ATOM 0 HG3 GLU A 61 6.011 -9.788 6.910 1.00 2.57 H new ATOM 930 N GLU A 62 1.342 -10.830 6.096 1.00 0.95 N ATOM 931 CA GLU A 62 0.145 -11.275 5.407 1.00 0.98 C ATOM 932 C GLU A 62 -0.760 -10.119 4.972 1.00 0.97 C ATOM 933 O GLU A 62 -1.471 -10.270 3.979 1.00 1.03 O ATOM 934 CB GLU A 62 -0.586 -12.348 6.235 1.00 1.31 C ATOM 935 CG GLU A 62 -1.377 -13.280 5.306 1.00 1.81 C ATOM 936 CD GLU A 62 -1.977 -14.481 6.019 1.00 2.44 C ATOM 937 OE1 GLU A 62 -2.225 -14.380 7.237 1.00 3.33 O ATOM 938 OE2 GLU A 62 -2.164 -15.494 5.306 1.00 3.02 O ATOM 0 H GLU A 62 1.373 -11.072 7.086 1.00 0.95 H new ATOM 0 HA GLU A 62 0.454 -11.743 4.472 1.00 0.98 H new ATOM 0 HB2 GLU A 62 0.134 -12.925 6.815 1.00 1.31 H new ATOM 0 HB3 GLU A 62 -1.261 -11.873 6.947 1.00 1.31 H new ATOM 0 HG2 GLU A 62 -2.177 -12.713 4.831 1.00 1.81 H new ATOM 0 HG3 GLU A 62 -0.719 -13.631 4.511 1.00 1.81 H new ATOM 945 N GLU A 63 -0.710 -8.942 5.613 1.00 1.06 N ATOM 946 CA GLU A 63 -1.454 -7.811 5.070 1.00 1.25 C ATOM 947 C GLU A 63 -1.009 -7.525 3.644 1.00 1.03 C ATOM 948 O GLU A 63 -1.842 -7.253 2.787 1.00 1.11 O ATOM 949 CB GLU A 63 -1.298 -6.524 5.884 1.00 1.76 C ATOM 950 CG GLU A 63 -2.436 -6.331 6.886 1.00 2.35 C ATOM 951 CD GLU A 63 -2.168 -6.967 8.221 1.00 1.52 C ATOM 952 OE1 GLU A 63 -1.035 -6.904 8.731 1.00 2.17 O ATOM 953 OE2 GLU A 63 -3.120 -7.301 8.942 1.00 2.08 O ATOM 0 H GLU A 63 -0.186 -8.757 6.469 1.00 1.06 H new ATOM 0 HA GLU A 63 -2.503 -8.105 5.109 1.00 1.25 H new ATOM 0 HB2 GLU A 63 -0.347 -6.547 6.417 1.00 1.76 H new ATOM 0 HB3 GLU A 63 -1.264 -5.670 5.207 1.00 1.76 H new ATOM 0 HG2 GLU A 63 -2.609 -5.264 7.028 1.00 2.35 H new ATOM 0 HG3 GLU A 63 -3.352 -6.750 6.469 1.00 2.35 H new ATOM 960 N LEU A 64 0.295 -7.600 3.370 1.00 0.91 N ATOM 961 CA LEU A 64 0.774 -7.340 2.026 1.00 1.04 C ATOM 962 C LEU A 64 0.275 -8.397 1.038 1.00 0.95 C ATOM 963 O LEU A 64 0.279 -8.136 -0.158 1.00 1.42 O ATOM 964 CB LEU A 64 2.293 -7.183 1.998 1.00 1.16 C ATOM 965 CG LEU A 64 2.757 -5.996 2.864 1.00 1.08 C ATOM 966 CD1 LEU A 64 3.639 -6.486 4.013 1.00 2.64 C ATOM 967 CD2 LEU A 64 3.536 -4.992 2.009 1.00 1.91 C ATOM 0 H LEU A 64 1.019 -7.834 4.050 1.00 0.91 H new ATOM 0 HA LEU A 64 0.354 -6.388 1.700 1.00 1.04 H new ATOM 0 HB2 LEU A 64 2.761 -8.100 2.356 1.00 1.16 H new ATOM 0 HB3 LEU A 64 2.625 -7.036 0.970 1.00 1.16 H new ATOM 0 HG LEU A 64 1.876 -5.507 3.279 1.00 1.08 H new ATOM 0 HD11 LEU A 64 3.958 -5.635 4.615 1.00 2.64 H new ATOM 0 HD12 LEU A 64 3.074 -7.179 4.636 1.00 2.64 H new ATOM 0 HD13 LEU A 64 4.515 -6.993 3.609 1.00 2.64 H new ATOM 0 HD21 LEU A 64 3.859 -4.157 2.631 1.00 1.91 H new ATOM 0 HD22 LEU A 64 4.409 -5.482 1.577 1.00 1.91 H new ATOM 0 HD23 LEU A 64 2.895 -4.621 1.209 1.00 1.91 H new ATOM 979 N LYS A 65 -0.182 -9.563 1.512 1.00 0.65 N ATOM 980 CA LYS A 65 -0.815 -10.565 0.666 1.00 0.72 C ATOM 981 C LYS A 65 -2.277 -10.201 0.366 1.00 0.68 C ATOM 982 O LYS A 65 -2.859 -10.789 -0.538 1.00 0.96 O ATOM 983 CB LYS A 65 -0.695 -11.945 1.329 1.00 0.85 C ATOM 984 CG LYS A 65 -1.019 -13.099 0.364 1.00 1.19 C ATOM 985 CD LYS A 65 -0.702 -14.461 0.997 1.00 1.45 C ATOM 986 CE LYS A 65 -1.757 -14.853 2.046 1.00 1.87 C ATOM 987 NZ LYS A 65 -1.298 -15.935 2.940 1.00 2.24 N ATOM 0 H LYS A 65 -0.120 -9.832 2.494 1.00 0.65 H new ATOM 0 HA LYS A 65 -0.300 -10.596 -0.294 1.00 0.72 H new ATOM 0 HB2 LYS A 65 0.317 -12.072 1.713 1.00 0.85 H new ATOM 0 HB3 LYS A 65 -1.369 -11.992 2.184 1.00 0.85 H new ATOM 0 HG2 LYS A 65 -2.073 -13.060 0.088 1.00 1.19 H new ATOM 0 HG3 LYS A 65 -0.444 -12.980 -0.555 1.00 1.19 H new ATOM 0 HD2 LYS A 65 -0.659 -15.224 0.220 1.00 1.45 H new ATOM 0 HD3 LYS A 65 0.282 -14.426 1.464 1.00 1.45 H new ATOM 0 HE2 LYS A 65 -2.012 -13.978 2.643 1.00 1.87 H new ATOM 0 HE3 LYS A 65 -2.668 -15.169 1.538 1.00 1.87 H new ATOM 0 HZ1 LYS A 65 -1.333 -15.608 3.927 1.00 2.24 H new ATOM 0 HZ2 LYS A 65 -1.916 -16.764 2.828 1.00 2.24 H new ATOM 0 HZ3 LYS A 65 -0.321 -16.196 2.696 1.00 2.24 H new ATOM 1001 N PHE A 66 -2.870 -9.246 1.100 1.00 0.52 N ATOM 1002 CA PHE A 66 -4.214 -8.735 0.852 1.00 0.55 C ATOM 1003 C PHE A 66 -4.276 -7.234 1.185 1.00 0.59 C ATOM 1004 O PHE A 66 -5.040 -6.832 2.076 1.00 1.07 O ATOM 1005 CB PHE A 66 -5.248 -9.481 1.715 1.00 0.69 C ATOM 1006 CG PHE A 66 -5.613 -10.890 1.299 1.00 1.90 C ATOM 1007 CD1 PHE A 66 -4.885 -11.984 1.799 1.00 2.70 C ATOM 1008 CD2 PHE A 66 -6.809 -11.114 0.590 1.00 3.32 C ATOM 1009 CE1 PHE A 66 -5.343 -13.293 1.573 1.00 4.05 C ATOM 1010 CE2 PHE A 66 -7.253 -12.422 0.342 1.00 4.70 C ATOM 1011 CZ PHE A 66 -6.520 -13.514 0.835 1.00 4.87 C ATOM 0 H PHE A 66 -2.413 -8.803 1.897 1.00 0.52 H new ATOM 0 HA PHE A 66 -4.447 -8.892 -0.201 1.00 0.55 H new ATOM 0 HB2 PHE A 66 -4.870 -9.518 2.737 1.00 0.69 H new ATOM 0 HB3 PHE A 66 -6.162 -8.888 1.734 1.00 0.69 H new ATOM 0 HD1 PHE A 66 -3.975 -11.818 2.356 1.00 2.70 H new ATOM 0 HD2 PHE A 66 -7.388 -10.274 0.235 1.00 3.32 H new ATOM 0 HE1 PHE A 66 -4.789 -14.132 1.967 1.00 4.05 H new ATOM 0 HE2 PHE A 66 -8.156 -12.589 -0.227 1.00 4.70 H new ATOM 0 HZ PHE A 66 -6.860 -14.522 0.648 1.00 4.87 H new ATOM 1021 N PHE A 67 -3.476 -6.425 0.476 1.00 0.64 N ATOM 1022 CA PHE A 67 -3.318 -4.991 0.707 1.00 0.64 C ATOM 1023 C PHE A 67 -4.325 -4.232 -0.174 1.00 0.62 C ATOM 1024 O PHE A 67 -5.431 -3.926 0.281 1.00 0.76 O ATOM 1025 CB PHE A 67 -1.819 -4.633 0.564 1.00 0.70 C ATOM 1026 CG PHE A 67 -1.422 -3.187 0.320 1.00 0.93 C ATOM 1027 CD1 PHE A 67 -1.647 -2.217 1.310 1.00 1.46 C ATOM 1028 CD2 PHE A 67 -0.613 -2.858 -0.786 1.00 2.43 C ATOM 1029 CE1 PHE A 67 -1.251 -0.886 1.106 1.00 1.49 C ATOM 1030 CE2 PHE A 67 -0.150 -1.539 -0.957 1.00 2.69 C ATOM 1031 CZ PHE A 67 -0.529 -0.539 -0.048 1.00 1.52 C ATOM 0 H PHE A 67 -2.905 -6.766 -0.297 1.00 0.64 H new ATOM 0 HA PHE A 67 -3.571 -4.675 1.719 1.00 0.64 H new ATOM 0 HB2 PHE A 67 -1.315 -4.963 1.472 1.00 0.70 H new ATOM 0 HB3 PHE A 67 -1.417 -5.227 -0.257 1.00 0.70 H new ATOM 0 HD1 PHE A 67 -2.128 -2.497 2.235 1.00 1.46 H new ATOM 0 HD2 PHE A 67 -0.347 -3.619 -1.504 1.00 2.43 H new ATOM 0 HE1 PHE A 67 -1.501 -0.130 1.835 1.00 1.49 H new ATOM 0 HE2 PHE A 67 0.497 -1.297 -1.787 1.00 2.69 H new ATOM 0 HZ PHE A 67 -0.267 0.492 -0.235 1.00 1.52 H new ATOM 1041 N LEU A 68 -4.038 -4.029 -1.464 1.00 0.58 N ATOM 1042 CA LEU A 68 -5.016 -3.493 -2.414 1.00 0.56 C ATOM 1043 C LEU A 68 -6.206 -4.424 -2.650 1.00 0.54 C ATOM 1044 O LEU A 68 -7.170 -4.039 -3.315 1.00 0.67 O ATOM 1045 CB LEU A 68 -4.393 -3.074 -3.759 1.00 0.75 C ATOM 1046 CG LEU A 68 -3.824 -1.653 -3.822 1.00 1.15 C ATOM 1047 CD1 LEU A 68 -2.511 -1.537 -3.052 1.00 2.12 C ATOM 1048 CD2 LEU A 68 -3.597 -1.279 -5.286 1.00 1.85 C ATOM 0 H LEU A 68 -3.127 -4.230 -1.876 1.00 0.58 H new ATOM 0 HA LEU A 68 -5.392 -2.593 -1.928 1.00 0.56 H new ATOM 0 HB2 LEU A 68 -3.594 -3.775 -4.001 1.00 0.75 H new ATOM 0 HB3 LEU A 68 -5.151 -3.175 -4.535 1.00 0.75 H new ATOM 0 HG LEU A 68 -4.539 -0.972 -3.359 1.00 1.15 H new ATOM 0 HD11 LEU A 68 -2.138 -0.515 -3.120 1.00 2.12 H new ATOM 0 HD12 LEU A 68 -2.679 -1.793 -2.006 1.00 2.12 H new ATOM 0 HD13 LEU A 68 -1.777 -2.220 -3.480 1.00 2.12 H new ATOM 0 HD21 LEU A 68 -3.192 -0.269 -5.345 1.00 1.85 H new ATOM 0 HD22 LEU A 68 -2.893 -1.979 -5.735 1.00 1.85 H new ATOM 0 HD23 LEU A 68 -4.544 -1.322 -5.824 1.00 1.85 H new ATOM 1060 N GLN A 69 -6.198 -5.626 -2.076 1.00 0.52 N ATOM 1061 CA GLN A 69 -7.367 -6.483 -2.100 1.00 0.52 C ATOM 1062 C GLN A 69 -8.553 -5.834 -1.370 1.00 0.56 C ATOM 1063 O GLN A 69 -9.688 -6.195 -1.664 1.00 0.85 O ATOM 1064 CB GLN A 69 -7.031 -7.876 -1.545 1.00 0.58 C ATOM 1065 CG GLN A 69 -7.344 -9.022 -2.525 1.00 1.07 C ATOM 1066 CD GLN A 69 -6.106 -9.795 -2.969 1.00 1.34 C ATOM 1067 OE1 GLN A 69 -5.483 -10.479 -2.170 1.00 2.83 O ATOM 1068 NE2 GLN A 69 -5.751 -9.726 -4.249 1.00 1.30 N ATOM 0 H GLN A 69 -5.393 -6.022 -1.591 1.00 0.52 H new ATOM 0 HA GLN A 69 -7.675 -6.613 -3.137 1.00 0.52 H new ATOM 0 HB2 GLN A 69 -5.973 -7.909 -1.286 1.00 0.58 H new ATOM 0 HB3 GLN A 69 -7.590 -8.035 -0.623 1.00 0.58 H new ATOM 0 HG2 GLN A 69 -8.044 -9.712 -2.054 1.00 1.07 H new ATOM 0 HG3 GLN A 69 -7.842 -8.613 -3.404 1.00 1.07 H new ATOM 0 HE21 GLN A 69 -6.287 -9.148 -4.896 1.00 1.30 H new ATOM 0 HE22 GLN A 69 -4.943 -10.251 -4.583 1.00 1.30 H new ATOM 1077 N LYS A 70 -8.318 -4.891 -0.444 1.00 0.53 N ATOM 1078 CA LYS A 70 -9.403 -4.064 0.088 1.00 0.63 C ATOM 1079 C LYS A 70 -9.558 -2.778 -0.726 1.00 0.75 C ATOM 1080 O LYS A 70 -10.684 -2.370 -0.991 1.00 1.17 O ATOM 1081 CB LYS A 70 -9.216 -3.730 1.573 1.00 0.87 C ATOM 1082 CG LYS A 70 -9.388 -4.937 2.506 1.00 1.46 C ATOM 1083 CD LYS A 70 -8.039 -5.619 2.751 1.00 1.29 C ATOM 1084 CE LYS A 70 -8.144 -6.766 3.759 1.00 1.92 C ATOM 1085 NZ LYS A 70 -6.802 -7.108 4.277 1.00 3.62 N ATOM 0 H LYS A 70 -7.398 -4.687 -0.055 1.00 0.53 H new ATOM 0 HA LYS A 70 -10.315 -4.655 0.001 1.00 0.63 H new ATOM 0 HB2 LYS A 70 -8.221 -3.309 1.719 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -9.933 -2.959 1.856 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -9.817 -4.613 3.454 1.00 1.46 H new ATOM 0 HG3 LYS A 70 -10.088 -5.648 2.066 1.00 1.46 H new ATOM 0 HD2 LYS A 70 -7.651 -6.002 1.807 1.00 1.29 H new ATOM 0 HD3 LYS A 70 -7.323 -4.883 3.115 1.00 1.29 H new ATOM 0 HE2 LYS A 70 -8.798 -6.479 4.582 1.00 1.92 H new ATOM 0 HE3 LYS A 70 -8.593 -7.638 3.284 1.00 1.92 H new ATOM 0 HZ1 LYS A 70 -6.819 -8.067 4.678 1.00 3.62 H new ATOM 0 HZ2 LYS A 70 -6.110 -7.069 3.501 1.00 3.62 H new ATOM 0 HZ3 LYS A 70 -6.532 -6.428 5.016 1.00 3.62 H new ATOM 1099 N PHE A 71 -8.451 -2.118 -1.094 1.00 1.12 N ATOM 1100 CA PHE A 71 -8.530 -0.853 -1.824 1.00 1.48 C ATOM 1101 C PHE A 71 -9.357 -0.996 -3.105 1.00 1.63 C ATOM 1102 O PHE A 71 -10.231 -0.171 -3.364 1.00 2.14 O ATOM 1103 CB PHE A 71 -7.141 -0.304 -2.185 1.00 1.59 C ATOM 1104 CG PHE A 71 -6.360 0.360 -1.060 1.00 2.04 C ATOM 1105 CD1 PHE A 71 -6.859 1.574 -0.573 1.00 2.54 C ATOM 1106 CD2 PHE A 71 -5.053 -0.025 -0.706 1.00 3.28 C ATOM 1107 CE1 PHE A 71 -6.076 2.413 0.238 1.00 3.18 C ATOM 1108 CE2 PHE A 71 -4.256 0.820 0.085 1.00 3.83 C ATOM 1109 CZ PHE A 71 -4.764 2.038 0.560 1.00 3.44 C ATOM 0 H PHE A 71 -7.502 -2.438 -0.899 1.00 1.12 H new ATOM 0 HA PHE A 71 -9.020 -0.148 -1.153 1.00 1.48 H new ATOM 0 HB2 PHE A 71 -6.541 -1.125 -2.578 1.00 1.59 H new ATOM 0 HB3 PHE A 71 -7.259 0.420 -2.992 1.00 1.59 H new ATOM 0 HD1 PHE A 71 -7.866 1.872 -0.826 1.00 2.54 H new ATOM 0 HD2 PHE A 71 -4.661 -0.973 -1.044 1.00 3.28 H new ATOM 0 HE1 PHE A 71 -6.483 3.341 0.611 1.00 3.18 H new ATOM 0 HE2 PHE A 71 -3.245 0.529 0.329 1.00 3.83 H new ATOM 0 HZ PHE A 71 -4.149 2.683 1.170 1.00 3.44 H new ATOM 1119 N GLU A 72 -9.031 -2.014 -3.906 1.00 1.33 N ATOM 1120 CA GLU A 72 -9.648 -2.291 -5.194 1.00 1.58 C ATOM 1121 C GLU A 72 -10.475 -3.574 -5.082 1.00 1.77 C ATOM 1122 O GLU A 72 -11.700 -3.518 -5.157 1.00 3.06 O ATOM 1123 CB GLU A 72 -8.541 -2.388 -6.260 1.00 1.35 C ATOM 1124 CG GLU A 72 -9.071 -2.678 -7.673 1.00 1.25 C ATOM 1125 CD GLU A 72 -9.990 -1.579 -8.195 1.00 2.23 C ATOM 1126 OE1 GLU A 72 -9.596 -0.403 -8.054 1.00 3.47 O ATOM 1127 OE2 GLU A 72 -11.062 -1.938 -8.726 1.00 2.96 O ATOM 0 H GLU A 72 -8.305 -2.687 -3.662 1.00 1.33 H new ATOM 0 HA GLU A 72 -10.326 -1.492 -5.493 1.00 1.58 H new ATOM 0 HB2 GLU A 72 -7.981 -1.453 -6.276 1.00 1.35 H new ATOM 0 HB3 GLU A 72 -7.842 -3.174 -5.975 1.00 1.35 H new ATOM 0 HG2 GLU A 72 -8.229 -2.796 -8.355 1.00 1.25 H new ATOM 0 HG3 GLU A 72 -9.611 -3.625 -7.667 1.00 1.25 H new ATOM 1134 N SER A 73 -9.791 -4.710 -4.878 1.00 1.82 N ATOM 1135 CA SER A 73 -10.260 -6.092 -5.016 1.00 1.66 C ATOM 1136 C SER A 73 -9.632 -6.709 -6.266 1.00 1.63 C ATOM 1137 O SER A 73 -9.935 -6.305 -7.382 1.00 3.13 O ATOM 1138 CB SER A 73 -11.786 -6.272 -5.054 1.00 2.02 C ATOM 1139 OG SER A 73 -12.386 -5.749 -3.888 1.00 3.16 O ATOM 0 H SER A 73 -8.814 -4.680 -4.588 1.00 1.82 H new ATOM 0 HA SER A 73 -9.942 -6.604 -4.108 1.00 1.66 H new ATOM 0 HB2 SER A 73 -12.193 -5.772 -5.933 1.00 2.02 H new ATOM 0 HB3 SER A 73 -12.029 -7.330 -5.149 1.00 2.02 H new ATOM 0 HG SER A 73 -12.386 -4.770 -3.931 1.00 3.16 H new ATOM 1145 N GLY A 74 -8.766 -7.707 -6.074 1.00 1.40 N ATOM 1146 CA GLY A 74 -8.146 -8.436 -7.172 1.00 1.30 C ATOM 1147 C GLY A 74 -7.066 -7.600 -7.856 1.00 0.90 C ATOM 1148 O GLY A 74 -6.990 -7.559 -9.081 1.00 1.13 O ATOM 0 H GLY A 74 -8.478 -8.029 -5.150 1.00 1.40 H new ATOM 0 HA2 GLY A 74 -7.709 -9.361 -6.796 1.00 1.30 H new ATOM 0 HA3 GLY A 74 -8.907 -8.716 -7.900 1.00 1.30 H new ATOM 1152 N ALA A 75 -6.225 -6.947 -7.047 1.00 0.69 N ATOM 1153 CA ALA A 75 -5.103 -6.154 -7.525 1.00 0.67 C ATOM 1154 C ALA A 75 -3.877 -7.053 -7.748 1.00 0.82 C ATOM 1155 O ALA A 75 -3.928 -7.954 -8.581 1.00 1.54 O ATOM 1156 CB ALA A 75 -4.876 -4.996 -6.550 1.00 0.86 C ATOM 0 H ALA A 75 -6.311 -6.959 -6.031 1.00 0.69 H new ATOM 0 HA ALA A 75 -5.311 -5.710 -8.499 1.00 0.67 H new ATOM 0 HB1 ALA A 75 -4.037 -4.390 -6.893 1.00 0.86 H new ATOM 0 HB2 ALA A 75 -5.773 -4.379 -6.502 1.00 0.86 H new ATOM 0 HB3 ALA A 75 -4.655 -5.393 -5.559 1.00 0.86 H new ATOM 1162 N ARG A 76 -2.772 -6.816 -7.035 1.00 0.49 N ATOM 1163 CA ARG A 76 -1.476 -7.435 -7.298 1.00 0.50 C ATOM 1164 C ARG A 76 -1.006 -8.347 -6.160 1.00 0.44 C ATOM 1165 O ARG A 76 0.014 -9.015 -6.297 1.00 0.72 O ATOM 1166 CB ARG A 76 -0.455 -6.312 -7.527 1.00 0.75 C ATOM 1167 CG ARG A 76 0.589 -6.717 -8.566 1.00 0.81 C ATOM 1168 CD ARG A 76 -0.063 -6.813 -9.972 1.00 0.91 C ATOM 1169 NE ARG A 76 0.615 -5.949 -10.952 1.00 1.68 N ATOM 1170 CZ ARG A 76 1.922 -6.052 -11.193 1.00 2.19 C ATOM 1171 NH1 ARG A 76 2.552 -7.212 -11.025 1.00 3.27 N ATOM 1172 NH2 ARG A 76 2.633 -4.974 -11.486 1.00 3.03 N ATOM 0 H ARG A 76 -2.757 -6.174 -6.242 1.00 0.49 H new ATOM 0 HA ARG A 76 -1.572 -8.072 -8.177 1.00 0.50 H new ATOM 0 HB2 ARG A 76 -0.970 -5.410 -7.858 1.00 0.75 H new ATOM 0 HB3 ARG A 76 0.039 -6.069 -6.586 1.00 0.75 H new ATOM 0 HG2 ARG A 76 1.399 -5.988 -8.582 1.00 0.81 H new ATOM 0 HG3 ARG A 76 1.029 -7.677 -8.295 1.00 0.81 H new ATOM 0 HD2 ARG A 76 -0.032 -7.847 -10.317 1.00 0.91 H new ATOM 0 HD3 ARG A 76 -1.114 -6.531 -9.905 1.00 0.91 H new ATOM 0 HE ARG A 76 0.070 -5.253 -11.460 1.00 1.68 H new ATOM 0 HH11 ARG A 76 2.035 -8.032 -10.709 1.00 3.27 H new ATOM 0 HH12 ARG A 76 3.552 -7.281 -11.212 1.00 3.27 H new ATOM 0 HH21 ARG A 76 2.181 -4.061 -11.528 1.00 3.03 H new ATOM 0 HH22 ARG A 76 3.633 -5.057 -11.670 1.00 3.03 H new ATOM 1186 N GLU A 77 -1.733 -8.352 -5.043 1.00 0.52 N ATOM 1187 CA GLU A 77 -1.281 -8.772 -3.722 1.00 0.49 C ATOM 1188 C GLU A 77 -0.693 -10.184 -3.716 1.00 0.38 C ATOM 1189 O GLU A 77 0.216 -10.509 -2.958 1.00 0.39 O ATOM 1190 CB GLU A 77 -2.437 -8.634 -2.723 1.00 0.66 C ATOM 1191 CG GLU A 77 -3.362 -7.432 -2.974 1.00 1.07 C ATOM 1192 CD GLU A 77 -2.605 -6.171 -3.347 1.00 2.06 C ATOM 1193 OE1 GLU A 77 -2.077 -5.521 -2.425 1.00 2.93 O ATOM 1194 OE2 GLU A 77 -2.588 -5.884 -4.565 1.00 2.90 O ATOM 0 H GLU A 77 -2.706 -8.046 -5.038 1.00 0.52 H new ATOM 0 HA GLU A 77 -0.464 -8.116 -3.420 1.00 0.49 H new ATOM 0 HB2 GLU A 77 -3.033 -9.546 -2.750 1.00 0.66 H new ATOM 0 HB3 GLU A 77 -2.023 -8.553 -1.718 1.00 0.66 H new ATOM 0 HG2 GLU A 77 -4.062 -7.679 -3.772 1.00 1.07 H new ATOM 0 HG3 GLU A 77 -3.954 -7.243 -2.079 1.00 1.07 H new ATOM 1201 N LEU A 78 -1.247 -11.027 -4.584 1.00 0.43 N ATOM 1202 CA LEU A 78 -0.794 -12.387 -4.804 1.00 0.47 C ATOM 1203 C LEU A 78 0.683 -12.430 -5.224 1.00 0.44 C ATOM 1204 O LEU A 78 1.406 -13.308 -4.766 1.00 0.55 O ATOM 1205 CB LEU A 78 -1.671 -13.101 -5.846 1.00 0.60 C ATOM 1206 CG LEU A 78 -3.201 -13.070 -5.639 1.00 0.84 C ATOM 1207 CD1 LEU A 78 -3.637 -13.101 -4.166 1.00 0.96 C ATOM 1208 CD2 LEU A 78 -3.882 -11.915 -6.390 1.00 0.93 C ATOM 0 H LEU A 78 -2.044 -10.771 -5.166 1.00 0.43 H new ATOM 0 HA LEU A 78 -0.888 -12.916 -3.855 1.00 0.47 H new ATOM 0 HB2 LEU A 78 -1.456 -12.664 -6.821 1.00 0.60 H new ATOM 0 HB3 LEU A 78 -1.359 -14.145 -5.888 1.00 0.60 H new ATOM 0 HG LEU A 78 -3.548 -14.004 -6.080 1.00 0.84 H new ATOM 0 HD11 LEU A 78 -4.725 -13.076 -4.108 1.00 0.96 H new ATOM 0 HD12 LEU A 78 -3.269 -14.013 -3.697 1.00 0.96 H new ATOM 0 HD13 LEU A 78 -3.226 -12.235 -3.647 1.00 0.96 H new ATOM 0 HD21 LEU A 78 -4.956 -11.945 -6.207 1.00 0.93 H new ATOM 0 HD22 LEU A 78 -3.480 -10.965 -6.038 1.00 0.93 H new ATOM 0 HD23 LEU A 78 -3.694 -12.015 -7.459 1.00 0.93 H new ATOM 1220 N THR A 79 1.135 -11.523 -6.104 1.00 0.39 N ATOM 1221 CA THR A 79 2.517 -11.513 -6.571 1.00 0.44 C ATOM 1222 C THR A 79 3.452 -11.141 -5.427 1.00 0.41 C ATOM 1223 O THR A 79 3.611 -9.966 -5.083 1.00 0.47 O ATOM 1224 CB THR A 79 2.747 -10.542 -7.739 1.00 0.53 C ATOM 1225 OG1 THR A 79 1.878 -10.794 -8.812 1.00 0.74 O ATOM 1226 CG2 THR A 79 4.164 -10.744 -8.295 1.00 0.81 C ATOM 0 H THR A 79 0.554 -10.786 -6.504 1.00 0.39 H new ATOM 0 HA THR A 79 2.730 -12.520 -6.931 1.00 0.44 H new ATOM 0 HB THR A 79 2.583 -9.537 -7.349 1.00 0.53 H new ATOM 0 HG1 THR A 79 2.055 -10.155 -9.533 1.00 0.74 H new ATOM 0 HG21 THR A 79 4.331 -10.057 -9.124 1.00 0.81 H new ATOM 0 HG22 THR A 79 4.894 -10.549 -7.510 1.00 0.81 H new ATOM 0 HG23 THR A 79 4.274 -11.770 -8.646 1.00 0.81 H new ATOM 1234 N GLU A 80 4.144 -12.144 -4.901 1.00 0.40 N ATOM 1235 CA GLU A 80 5.036 -11.978 -3.775 1.00 0.40 C ATOM 1236 C GLU A 80 6.166 -11.017 -4.126 1.00 0.45 C ATOM 1237 O GLU A 80 6.572 -10.244 -3.271 1.00 0.55 O ATOM 1238 CB GLU A 80 5.577 -13.318 -3.268 1.00 0.47 C ATOM 1239 CG GLU A 80 4.479 -14.373 -3.049 1.00 1.94 C ATOM 1240 CD GLU A 80 4.234 -15.258 -4.270 1.00 2.51 C ATOM 1241 OE1 GLU A 80 4.396 -14.739 -5.399 1.00 3.39 O ATOM 1242 OE2 GLU A 80 3.916 -16.444 -4.047 1.00 3.41 O ATOM 0 H GLU A 80 4.097 -13.101 -5.251 1.00 0.40 H new ATOM 0 HA GLU A 80 4.460 -11.545 -2.957 1.00 0.40 H new ATOM 0 HB2 GLU A 80 6.304 -13.703 -3.984 1.00 0.47 H new ATOM 0 HB3 GLU A 80 6.108 -13.156 -2.330 1.00 0.47 H new ATOM 0 HG2 GLU A 80 4.754 -15.003 -2.203 1.00 1.94 H new ATOM 0 HG3 GLU A 80 3.550 -13.869 -2.783 1.00 1.94 H new ATOM 1249 N SER A 81 6.670 -11.039 -5.365 1.00 0.47 N ATOM 1250 CA SER A 81 7.721 -10.129 -5.813 1.00 0.59 C ATOM 1251 C SER A 81 7.312 -8.667 -5.573 1.00 0.63 C ATOM 1252 O SER A 81 7.996 -7.920 -4.875 1.00 0.71 O ATOM 1253 CB SER A 81 8.033 -10.396 -7.292 1.00 0.62 C ATOM 1254 OG SER A 81 9.162 -9.665 -7.710 1.00 1.80 O ATOM 0 H SER A 81 6.357 -11.691 -6.084 1.00 0.47 H new ATOM 0 HA SER A 81 8.627 -10.308 -5.233 1.00 0.59 H new ATOM 0 HB2 SER A 81 8.208 -11.461 -7.444 1.00 0.62 H new ATOM 0 HB3 SER A 81 7.173 -10.124 -7.904 1.00 0.62 H new ATOM 0 HG SER A 81 9.129 -9.539 -8.681 1.00 1.80 H new ATOM 1260 N GLU A 82 6.159 -8.274 -6.115 1.00 0.62 N ATOM 1261 CA GLU A 82 5.637 -6.921 -6.022 1.00 0.66 C ATOM 1262 C GLU A 82 5.355 -6.593 -4.557 1.00 0.67 C ATOM 1263 O GLU A 82 5.769 -5.554 -4.041 1.00 0.79 O ATOM 1264 CB GLU A 82 4.356 -6.825 -6.862 1.00 0.66 C ATOM 1265 CG GLU A 82 4.554 -7.246 -8.329 1.00 1.00 C ATOM 1266 CD GLU A 82 5.208 -6.183 -9.198 1.00 1.86 C ATOM 1267 OE1 GLU A 82 6.217 -5.593 -8.772 1.00 3.15 O ATOM 1268 OE2 GLU A 82 4.698 -5.967 -10.322 1.00 2.25 O ATOM 0 H GLU A 82 5.554 -8.904 -6.641 1.00 0.62 H new ATOM 0 HA GLU A 82 6.362 -6.203 -6.404 1.00 0.66 H new ATOM 0 HB2 GLU A 82 3.587 -7.453 -6.412 1.00 0.66 H new ATOM 0 HB3 GLU A 82 3.987 -5.800 -6.833 1.00 0.66 H new ATOM 0 HG2 GLU A 82 5.164 -8.149 -8.357 1.00 1.00 H new ATOM 0 HG3 GLU A 82 3.585 -7.503 -8.756 1.00 1.00 H new ATOM 1275 N THR A 83 4.673 -7.515 -3.874 1.00 0.56 N ATOM 1276 CA THR A 83 4.398 -7.371 -2.456 1.00 0.58 C ATOM 1277 C THR A 83 5.698 -7.103 -1.682 1.00 0.65 C ATOM 1278 O THR A 83 5.757 -6.216 -0.831 1.00 0.75 O ATOM 1279 CB THR A 83 3.626 -8.606 -1.951 1.00 0.55 C ATOM 1280 OG1 THR A 83 2.261 -8.279 -1.956 1.00 0.61 O ATOM 1281 CG2 THR A 83 4.034 -9.143 -0.574 1.00 0.70 C ATOM 0 H THR A 83 4.303 -8.370 -4.289 1.00 0.56 H new ATOM 0 HA THR A 83 3.760 -6.505 -2.282 1.00 0.58 H new ATOM 0 HB THR A 83 3.872 -9.424 -2.629 1.00 0.55 H new ATOM 0 HG1 THR A 83 1.902 -8.361 -1.048 1.00 0.61 H new ATOM 0 HG21 THR A 83 3.423 -10.011 -0.326 1.00 0.70 H new ATOM 0 HG22 THR A 83 5.085 -9.433 -0.593 1.00 0.70 H new ATOM 0 HG23 THR A 83 3.885 -8.368 0.178 1.00 0.70 H new ATOM 1289 N LYS A 84 6.747 -7.871 -1.985 1.00 0.62 N ATOM 1290 CA LYS A 84 8.043 -7.773 -1.342 1.00 0.65 C ATOM 1291 C LYS A 84 8.736 -6.468 -1.713 1.00 0.64 C ATOM 1292 O LYS A 84 9.384 -5.891 -0.854 1.00 0.62 O ATOM 1293 CB LYS A 84 8.934 -8.979 -1.686 1.00 0.70 C ATOM 1294 CG LYS A 84 8.455 -10.296 -1.054 1.00 1.76 C ATOM 1295 CD LYS A 84 9.230 -10.683 0.214 1.00 2.17 C ATOM 1296 CE LYS A 84 9.009 -9.673 1.346 1.00 3.47 C ATOM 1297 NZ LYS A 84 9.703 -10.059 2.589 1.00 4.72 N ATOM 0 H LYS A 84 6.709 -8.594 -2.704 1.00 0.62 H new ATOM 0 HA LYS A 84 7.877 -7.779 -0.265 1.00 0.65 H new ATOM 0 HB2 LYS A 84 8.970 -9.097 -2.769 1.00 0.70 H new ATOM 0 HB3 LYS A 84 9.952 -8.775 -1.354 1.00 0.70 H new ATOM 0 HG2 LYS A 84 7.396 -10.209 -0.811 1.00 1.76 H new ATOM 0 HG3 LYS A 84 8.549 -11.097 -1.787 1.00 1.76 H new ATOM 0 HD2 LYS A 84 8.916 -11.673 0.544 1.00 2.17 H new ATOM 0 HD3 LYS A 84 10.294 -10.746 -0.015 1.00 2.17 H new ATOM 0 HE2 LYS A 84 9.360 -8.692 1.027 1.00 3.47 H new ATOM 0 HE3 LYS A 84 7.941 -9.581 1.543 1.00 3.47 H new ATOM 0 HZ1 LYS A 84 9.283 -9.551 3.393 1.00 4.72 H new ATOM 0 HZ2 LYS A 84 9.605 -11.084 2.738 1.00 4.72 H new ATOM 0 HZ3 LYS A 84 10.711 -9.815 2.514 1.00 4.72 H new ATOM 1311 N SER A 85 8.615 -5.993 -2.955 1.00 0.72 N ATOM 1312 CA SER A 85 9.084 -4.671 -3.356 1.00 0.73 C ATOM 1313 C SER A 85 8.516 -3.624 -2.394 1.00 0.73 C ATOM 1314 O SER A 85 9.257 -2.828 -1.813 1.00 0.83 O ATOM 1315 CB SER A 85 8.681 -4.378 -4.812 1.00 0.74 C ATOM 1316 OG SER A 85 9.259 -3.169 -5.259 1.00 1.79 O ATOM 0 H SER A 85 8.185 -6.522 -3.714 1.00 0.72 H new ATOM 0 HA SER A 85 10.172 -4.635 -3.307 1.00 0.73 H new ATOM 0 HB2 SER A 85 9.000 -5.198 -5.455 1.00 0.74 H new ATOM 0 HB3 SER A 85 7.595 -4.317 -4.888 1.00 0.74 H new ATOM 0 HG SER A 85 8.634 -2.709 -5.857 1.00 1.79 H new ATOM 1322 N LEU A 86 7.194 -3.652 -2.187 1.00 0.66 N ATOM 1323 CA LEU A 86 6.556 -2.712 -1.278 1.00 0.59 C ATOM 1324 C LEU A 86 7.076 -2.919 0.148 1.00 0.47 C ATOM 1325 O LEU A 86 7.588 -1.966 0.742 1.00 0.45 O ATOM 1326 CB LEU A 86 5.026 -2.782 -1.419 1.00 0.64 C ATOM 1327 CG LEU A 86 4.259 -1.524 -0.962 1.00 0.98 C ATOM 1328 CD1 LEU A 86 4.096 -1.427 0.555 1.00 2.47 C ATOM 1329 CD2 LEU A 86 4.870 -0.216 -1.479 1.00 2.15 C ATOM 0 H LEU A 86 6.557 -4.311 -2.635 1.00 0.66 H new ATOM 0 HA LEU A 86 6.824 -1.689 -1.543 1.00 0.59 H new ATOM 0 HB2 LEU A 86 4.783 -2.975 -2.464 1.00 0.64 H new ATOM 0 HB3 LEU A 86 4.664 -3.635 -0.845 1.00 0.64 H new ATOM 0 HG LEU A 86 3.273 -1.650 -1.410 1.00 0.98 H new ATOM 0 HD11 LEU A 86 3.548 -0.519 0.805 1.00 2.47 H new ATOM 0 HD12 LEU A 86 3.545 -2.295 0.918 1.00 2.47 H new ATOM 0 HD13 LEU A 86 5.079 -1.399 1.025 1.00 2.47 H new ATOM 0 HD21 LEU A 86 4.281 0.628 -1.120 1.00 2.15 H new ATOM 0 HD22 LEU A 86 5.894 -0.124 -1.116 1.00 2.15 H new ATOM 0 HD23 LEU A 86 4.870 -0.220 -2.569 1.00 2.15 H new ATOM 1341 N MET A 87 6.999 -4.151 0.681 1.00 0.45 N ATOM 1342 CA MET A 87 7.551 -4.448 2.006 1.00 0.42 C ATOM 1343 C MET A 87 8.968 -3.874 2.165 1.00 0.42 C ATOM 1344 O MET A 87 9.267 -3.210 3.150 1.00 0.48 O ATOM 1345 CB MET A 87 7.560 -5.961 2.311 1.00 0.53 C ATOM 1346 CG MET A 87 7.952 -6.211 3.783 1.00 0.79 C ATOM 1347 SD MET A 87 8.301 -7.907 4.324 1.00 1.64 S ATOM 1348 CE MET A 87 6.665 -8.649 4.204 1.00 3.22 C ATOM 0 H MET A 87 6.563 -4.948 0.216 1.00 0.45 H new ATOM 0 HA MET A 87 6.892 -3.965 2.727 1.00 0.42 H new ATOM 0 HB2 MET A 87 6.575 -6.384 2.113 1.00 0.53 H new ATOM 0 HB3 MET A 87 8.263 -6.468 1.650 1.00 0.53 H new ATOM 0 HG2 MET A 87 8.836 -5.610 3.995 1.00 0.79 H new ATOM 0 HG3 MET A 87 7.147 -5.825 4.408 1.00 0.79 H new ATOM 0 HE1 MET A 87 6.727 -9.708 4.454 1.00 3.22 H new ATOM 0 HE2 MET A 87 5.988 -8.151 4.898 1.00 3.22 H new ATOM 0 HE3 MET A 87 6.289 -8.537 3.187 1.00 3.22 H new ATOM 1358 N ALA A 88 9.840 -4.168 1.203 1.00 0.49 N ATOM 1359 CA ALA A 88 11.266 -3.892 1.237 1.00 0.54 C ATOM 1360 C ALA A 88 11.547 -2.415 1.502 1.00 0.49 C ATOM 1361 O ALA A 88 12.401 -2.093 2.322 1.00 0.54 O ATOM 1362 CB ALA A 88 11.902 -4.355 -0.081 1.00 0.70 C ATOM 0 H ALA A 88 9.553 -4.627 0.339 1.00 0.49 H new ATOM 0 HA ALA A 88 11.712 -4.446 2.063 1.00 0.54 H new ATOM 0 HB1 ALA A 88 12.972 -4.150 -0.060 1.00 0.70 H new ATOM 0 HB2 ALA A 88 11.740 -5.426 -0.207 1.00 0.70 H new ATOM 0 HB3 ALA A 88 11.446 -3.819 -0.913 1.00 0.70 H new ATOM 1368 N ALA A 89 10.851 -1.520 0.796 1.00 0.47 N ATOM 1369 CA ALA A 89 11.050 -0.086 0.973 1.00 0.47 C ATOM 1370 C ALA A 89 10.270 0.451 2.173 1.00 0.41 C ATOM 1371 O ALA A 89 10.746 1.343 2.870 1.00 0.48 O ATOM 1372 CB ALA A 89 10.660 0.646 -0.305 1.00 0.61 C ATOM 0 H ALA A 89 10.148 -1.766 0.099 1.00 0.47 H new ATOM 0 HA ALA A 89 12.106 0.091 1.178 1.00 0.47 H new ATOM 0 HB1 ALA A 89 10.809 1.717 -0.171 1.00 0.61 H new ATOM 0 HB2 ALA A 89 11.280 0.294 -1.130 1.00 0.61 H new ATOM 0 HB3 ALA A 89 9.611 0.451 -0.530 1.00 0.61 H new ATOM 1378 N ALA A 90 9.053 -0.055 2.391 1.00 0.41 N ATOM 1379 CA ALA A 90 8.212 0.395 3.492 1.00 0.38 C ATOM 1380 C ALA A 90 8.838 0.073 4.847 1.00 0.31 C ATOM 1381 O ALA A 90 8.807 0.911 5.745 1.00 0.38 O ATOM 1382 CB ALA A 90 6.837 -0.252 3.362 1.00 0.35 C ATOM 0 H ALA A 90 8.630 -0.781 1.813 1.00 0.41 H new ATOM 0 HA ALA A 90 8.114 1.479 3.439 1.00 0.38 H new ATOM 0 HB1 ALA A 90 6.200 0.079 4.182 1.00 0.35 H new ATOM 0 HB2 ALA A 90 6.387 0.038 2.413 1.00 0.35 H new ATOM 0 HB3 ALA A 90 6.940 -1.336 3.398 1.00 0.35 H new ATOM 1388 N ASP A 91 9.376 -1.138 5.014 1.00 0.28 N ATOM 1389 CA ASP A 91 10.010 -1.516 6.260 1.00 0.33 C ATOM 1390 C ASP A 91 11.250 -0.655 6.463 1.00 0.43 C ATOM 1391 O ASP A 91 12.159 -0.679 5.635 1.00 0.88 O ATOM 1392 CB ASP A 91 10.380 -2.998 6.292 1.00 0.44 C ATOM 1393 CG ASP A 91 10.891 -3.330 7.680 1.00 0.65 C ATOM 1394 OD1 ASP A 91 10.052 -3.687 8.535 1.00 0.91 O ATOM 1395 OD2 ASP A 91 12.101 -3.189 7.942 1.00 1.04 O ATOM 0 H ASP A 91 9.381 -1.865 4.299 1.00 0.28 H new ATOM 0 HA ASP A 91 9.300 -1.351 7.071 1.00 0.33 H new ATOM 0 HB2 ASP A 91 9.512 -3.612 6.050 1.00 0.44 H new ATOM 0 HB3 ASP A 91 11.143 -3.215 5.544 1.00 0.44 H new ATOM 1400 N ASN A 92 11.277 0.116 7.548 1.00 1.11 N ATOM 1401 CA ASN A 92 12.346 1.073 7.802 1.00 1.24 C ATOM 1402 C ASN A 92 13.327 0.552 8.854 1.00 1.10 C ATOM 1403 O ASN A 92 14.166 1.312 9.331 1.00 1.17 O ATOM 1404 CB ASN A 92 11.741 2.436 8.176 1.00 1.63 C ATOM 1405 CG ASN A 92 12.528 3.571 7.530 1.00 1.67 C ATOM 1406 OD1 ASN A 92 13.307 4.265 8.173 1.00 3.14 O ATOM 1407 ND2 ASN A 92 12.338 3.762 6.226 1.00 2.47 N ATOM 0 H ASN A 92 10.560 0.093 8.273 1.00 1.11 H new ATOM 0 HA ASN A 92 12.931 1.206 6.892 1.00 1.24 H new ATOM 0 HB2 ASN A 92 10.701 2.479 7.853 1.00 1.63 H new ATOM 0 HB3 ASN A 92 11.744 2.556 9.259 1.00 1.63 H new ATOM 0 HD21 ASN A 92 12.847 4.500 5.739 1.00 2.47 H new ATOM 0 HD22 ASN A 92 11.684 3.170 5.714 1.00 2.47 H new ATOM 1414 N ASP A 93 13.240 -0.739 9.201 1.00 1.11 N ATOM 1415 CA ASP A 93 14.107 -1.381 10.185 1.00 1.06 C ATOM 1416 C ASP A 93 15.157 -2.231 9.473 1.00 1.01 C ATOM 1417 O ASP A 93 16.321 -2.269 9.869 1.00 1.18 O ATOM 1418 CB ASP A 93 13.283 -2.299 11.097 1.00 0.99 C ATOM 1419 CG ASP A 93 12.315 -1.553 11.996 1.00 1.09 C ATOM 1420 OD1 ASP A 93 12.790 -0.883 12.934 1.00 1.59 O ATOM 1421 OD2 ASP A 93 11.097 -1.705 11.740 1.00 0.84 O ATOM 0 H ASP A 93 12.552 -1.373 8.796 1.00 1.11 H new ATOM 0 HA ASP A 93 14.589 -0.604 10.778 1.00 1.06 H new ATOM 0 HB2 ASP A 93 12.724 -3.003 10.480 1.00 0.99 H new ATOM 0 HB3 ASP A 93 13.961 -2.886 11.716 1.00 0.99 H new ATOM 1426 N GLY A 94 14.707 -2.974 8.461 1.00 0.85 N ATOM 1427 CA GLY A 94 15.354 -4.174 7.974 1.00 0.85 C ATOM 1428 C GLY A 94 14.795 -5.381 8.729 1.00 0.70 C ATOM 1429 O GLY A 94 15.563 -6.280 9.071 1.00 0.73 O ATOM 0 H GLY A 94 13.856 -2.743 7.948 1.00 0.85 H new ATOM 0 HA2 GLY A 94 15.182 -4.287 6.904 1.00 0.85 H new ATOM 0 HA3 GLY A 94 16.432 -4.106 8.118 1.00 0.85 H new ATOM 1433 N ASP A 95 13.476 -5.405 8.984 1.00 0.63 N ATOM 1434 CA ASP A 95 12.800 -6.520 9.654 1.00 0.57 C ATOM 1435 C ASP A 95 11.750 -7.142 8.725 1.00 0.53 C ATOM 1436 O ASP A 95 11.872 -8.315 8.370 1.00 0.65 O ATOM 1437 CB ASP A 95 12.286 -6.127 11.057 1.00 0.54 C ATOM 1438 CG ASP A 95 10.798 -5.824 11.137 1.00 0.86 C ATOM 1439 OD1 ASP A 95 10.012 -6.792 11.083 1.00 2.46 O ATOM 1440 OD2 ASP A 95 10.449 -4.624 11.212 1.00 1.30 O ATOM 0 H ASP A 95 12.848 -4.644 8.728 1.00 0.63 H new ATOM 0 HA ASP A 95 13.522 -7.311 9.855 1.00 0.57 H new ATOM 0 HB2 ASP A 95 12.514 -6.937 11.750 1.00 0.54 H new ATOM 0 HB3 ASP A 95 12.838 -5.251 11.397 1.00 0.54 H new ATOM 1445 N GLY A 96 10.757 -6.364 8.280 1.00 0.45 N ATOM 1446 CA GLY A 96 9.705 -6.825 7.389 1.00 0.44 C ATOM 1447 C GLY A 96 8.323 -6.425 7.903 1.00 0.43 C ATOM 1448 O GLY A 96 7.478 -5.996 7.120 1.00 0.57 O ATOM 0 H GLY A 96 10.667 -5.381 8.538 1.00 0.45 H new ATOM 0 HA2 GLY A 96 9.860 -6.407 6.394 1.00 0.44 H new ATOM 0 HA3 GLY A 96 9.758 -7.909 7.291 1.00 0.44 H new ATOM 1452 N LYS A 97 8.076 -6.573 9.207 1.00 0.41 N ATOM 1453 CA LYS A 97 6.828 -6.169 9.827 1.00 0.49 C ATOM 1454 C LYS A 97 6.748 -4.646 9.822 1.00 0.46 C ATOM 1455 O LYS A 97 7.660 -3.977 10.316 1.00 0.54 O ATOM 1456 CB LYS A 97 6.760 -6.712 11.257 1.00 0.59 C ATOM 1457 CG LYS A 97 6.967 -8.235 11.286 1.00 1.86 C ATOM 1458 CD LYS A 97 6.282 -8.868 12.501 1.00 2.35 C ATOM 1459 CE LYS A 97 4.773 -8.981 12.229 1.00 4.37 C ATOM 1460 NZ LYS A 97 3.973 -9.212 13.442 1.00 5.54 N ATOM 0 H LYS A 97 8.746 -6.980 9.860 1.00 0.41 H new ATOM 0 HA LYS A 97 5.983 -6.574 9.270 1.00 0.49 H new ATOM 0 HB2 LYS A 97 7.521 -6.228 11.869 1.00 0.59 H new ATOM 0 HB3 LYS A 97 5.793 -6.466 11.696 1.00 0.59 H new ATOM 0 HG2 LYS A 97 6.569 -8.675 10.372 1.00 1.86 H new ATOM 0 HG3 LYS A 97 8.034 -8.459 11.310 1.00 1.86 H new ATOM 0 HD2 LYS A 97 6.703 -9.854 12.698 1.00 2.35 H new ATOM 0 HD3 LYS A 97 6.459 -8.262 13.390 1.00 2.35 H new ATOM 0 HE2 LYS A 97 4.430 -8.066 11.746 1.00 4.37 H new ATOM 0 HE3 LYS A 97 4.599 -9.797 11.528 1.00 4.37 H new ATOM 0 HZ1 LYS A 97 3.090 -8.666 13.384 1.00 5.54 H new ATOM 0 HZ2 LYS A 97 3.750 -10.225 13.523 1.00 5.54 H new ATOM 0 HZ3 LYS A 97 4.513 -8.909 14.277 1.00 5.54 H new ATOM 1474 N ILE A 98 5.686 -4.084 9.244 1.00 0.44 N ATOM 1475 CA ILE A 98 5.608 -2.660 8.956 1.00 0.36 C ATOM 1476 C ILE A 98 4.615 -1.995 9.900 1.00 0.39 C ATOM 1477 O ILE A 98 3.407 -2.211 9.794 1.00 0.79 O ATOM 1478 CB ILE A 98 5.269 -2.502 7.471 1.00 0.34 C ATOM 1479 CG1 ILE A 98 6.563 -2.715 6.676 1.00 0.35 C ATOM 1480 CG2 ILE A 98 4.678 -1.141 7.098 1.00 0.45 C ATOM 1481 CD1 ILE A 98 6.280 -3.284 5.293 1.00 0.40 C ATOM 0 H ILE A 98 4.857 -4.608 8.964 1.00 0.44 H new ATOM 0 HA ILE A 98 6.556 -2.152 9.132 1.00 0.36 H new ATOM 0 HB ILE A 98 4.499 -3.237 7.236 1.00 0.34 H new ATOM 0 HG12 ILE A 98 7.092 -1.767 6.579 1.00 0.35 H new ATOM 0 HG13 ILE A 98 7.220 -3.392 7.222 1.00 0.35 H new ATOM 0 HG21 ILE A 98 4.468 -1.116 6.029 1.00 0.45 H new ATOM 0 HG22 ILE A 98 3.754 -0.981 7.653 1.00 0.45 H new ATOM 0 HG23 ILE A 98 5.391 -0.355 7.346 1.00 0.45 H new ATOM 0 HD11 ILE A 98 7.219 -3.422 4.757 1.00 0.40 H new ATOM 0 HD12 ILE A 98 5.774 -4.244 5.391 1.00 0.40 H new ATOM 0 HD13 ILE A 98 5.644 -2.594 4.739 1.00 0.40 H new ATOM 1493 N GLY A 99 5.120 -1.174 10.822 1.00 0.47 N ATOM 1494 CA GLY A 99 4.259 -0.336 11.639 1.00 0.50 C ATOM 1495 C GLY A 99 3.501 0.680 10.779 1.00 0.41 C ATOM 1496 O GLY A 99 3.946 1.052 9.689 1.00 0.37 O ATOM 0 H GLY A 99 6.116 -1.076 11.017 1.00 0.47 H new ATOM 0 HA2 GLY A 99 3.549 -0.959 12.182 1.00 0.50 H new ATOM 0 HA3 GLY A 99 4.857 0.188 12.384 1.00 0.50 H new ATOM 1500 N ALA A 100 2.370 1.182 11.291 1.00 0.48 N ATOM 1501 CA ALA A 100 1.682 2.310 10.670 1.00 0.52 C ATOM 1502 C ALA A 100 2.642 3.483 10.528 1.00 0.46 C ATOM 1503 O ALA A 100 2.613 4.183 9.521 1.00 0.46 O ATOM 1504 CB ALA A 100 0.444 2.712 11.474 1.00 0.66 C ATOM 0 H ALA A 100 1.917 0.823 12.131 1.00 0.48 H new ATOM 0 HA ALA A 100 1.344 2.009 9.679 1.00 0.52 H new ATOM 0 HB1 ALA A 100 -0.048 3.554 10.988 1.00 0.66 H new ATOM 0 HB2 ALA A 100 -0.246 1.870 11.526 1.00 0.66 H new ATOM 0 HB3 ALA A 100 0.742 2.999 12.482 1.00 0.66 H new ATOM 1510 N GLU A 101 3.501 3.660 11.535 1.00 0.47 N ATOM 1511 CA GLU A 101 4.537 4.672 11.556 1.00 0.47 C ATOM 1512 C GLU A 101 5.425 4.528 10.313 1.00 0.36 C ATOM 1513 O GLU A 101 5.427 5.415 9.464 1.00 0.40 O ATOM 1514 CB GLU A 101 5.277 4.581 12.901 1.00 0.60 C ATOM 1515 CG GLU A 101 5.920 5.909 13.329 1.00 1.56 C ATOM 1516 CD GLU A 101 6.346 5.903 14.797 1.00 1.68 C ATOM 1517 OE1 GLU A 101 5.683 5.192 15.586 1.00 1.95 O ATOM 1518 OE2 GLU A 101 7.308 6.631 15.117 1.00 2.85 O ATOM 0 H GLU A 101 3.487 3.083 12.376 1.00 0.47 H new ATOM 0 HA GLU A 101 4.129 5.681 11.497 1.00 0.47 H new ATOM 0 HB2 GLU A 101 4.577 4.258 13.672 1.00 0.60 H new ATOM 0 HB3 GLU A 101 6.050 3.816 12.832 1.00 0.60 H new ATOM 0 HG2 GLU A 101 6.789 6.108 12.702 1.00 1.56 H new ATOM 0 HG3 GLU A 101 5.214 6.722 13.162 1.00 1.56 H new ATOM 1525 N GLU A 102 6.087 3.374 10.153 1.00 0.29 N ATOM 1526 CA GLU A 102 6.908 3.052 8.986 1.00 0.24 C ATOM 1527 C GLU A 102 6.167 3.365 7.681 1.00 0.26 C ATOM 1528 O GLU A 102 6.701 4.006 6.775 1.00 0.29 O ATOM 1529 CB GLU A 102 7.296 1.565 9.013 1.00 0.25 C ATOM 1530 CG GLU A 102 8.150 1.182 10.225 1.00 0.43 C ATOM 1531 CD GLU A 102 8.541 -0.282 10.169 1.00 0.42 C ATOM 1532 OE1 GLU A 102 9.483 -0.666 9.445 1.00 1.11 O ATOM 1533 OE2 GLU A 102 7.924 -1.127 10.856 1.00 1.30 O ATOM 0 H GLU A 102 6.064 2.626 10.846 1.00 0.29 H new ATOM 0 HA GLU A 102 7.806 3.668 9.027 1.00 0.24 H new ATOM 0 HB2 GLU A 102 6.389 0.960 9.011 1.00 0.25 H new ATOM 0 HB3 GLU A 102 7.843 1.323 8.101 1.00 0.25 H new ATOM 0 HG2 GLU A 102 9.046 1.801 10.254 1.00 0.43 H new ATOM 0 HG3 GLU A 102 7.596 1.380 11.143 1.00 0.43 H new ATOM 1540 N PHE A 103 4.922 2.896 7.573 1.00 0.28 N ATOM 1541 CA PHE A 103 4.143 3.099 6.359 1.00 0.36 C ATOM 1542 C PHE A 103 3.930 4.587 6.088 1.00 0.36 C ATOM 1543 O PHE A 103 4.200 5.085 4.995 1.00 0.39 O ATOM 1544 CB PHE A 103 2.806 2.348 6.458 1.00 0.44 C ATOM 1545 CG PHE A 103 2.354 1.756 5.142 1.00 0.99 C ATOM 1546 CD1 PHE A 103 3.150 0.761 4.554 1.00 2.57 C ATOM 1547 CD2 PHE A 103 1.136 2.121 4.539 1.00 1.87 C ATOM 1548 CE1 PHE A 103 2.668 0.012 3.474 1.00 3.08 C ATOM 1549 CE2 PHE A 103 0.688 1.425 3.401 1.00 2.16 C ATOM 1550 CZ PHE A 103 1.439 0.349 2.891 1.00 2.27 C ATOM 0 H PHE A 103 4.439 2.378 8.307 1.00 0.28 H new ATOM 0 HA PHE A 103 4.700 2.693 5.514 1.00 0.36 H new ATOM 0 HB2 PHE A 103 2.899 1.550 7.195 1.00 0.44 H new ATOM 0 HB3 PHE A 103 2.039 3.031 6.823 1.00 0.44 H new ATOM 0 HD1 PHE A 103 4.142 0.572 4.937 1.00 2.57 H new ATOM 0 HD2 PHE A 103 0.549 2.930 4.947 1.00 1.87 H new ATOM 0 HE1 PHE A 103 3.240 -0.821 3.092 1.00 3.08 H new ATOM 0 HE2 PHE A 103 -0.233 1.717 2.918 1.00 2.16 H new ATOM 0 HZ PHE A 103 1.068 -0.217 2.050 1.00 2.27 H new ATOM 1560 N GLN A 104 3.440 5.299 7.101 1.00 0.38 N ATOM 1561 CA GLN A 104 3.196 6.725 7.053 1.00 0.40 C ATOM 1562 C GLN A 104 4.486 7.476 6.735 1.00 0.41 C ATOM 1563 O GLN A 104 4.415 8.434 5.980 1.00 0.54 O ATOM 1564 CB GLN A 104 2.504 7.157 8.354 1.00 0.53 C ATOM 1565 CG GLN A 104 2.093 8.636 8.372 1.00 0.68 C ATOM 1566 CD GLN A 104 3.147 9.535 9.015 1.00 1.79 C ATOM 1567 OE1 GLN A 104 3.637 9.251 10.101 1.00 2.82 O ATOM 1568 NE2 GLN A 104 3.482 10.648 8.373 1.00 2.71 N ATOM 0 H GLN A 104 3.198 4.881 7.999 1.00 0.38 H new ATOM 0 HA GLN A 104 2.515 6.981 6.241 1.00 0.40 H new ATOM 0 HB2 GLN A 104 1.618 6.541 8.506 1.00 0.53 H new ATOM 0 HB3 GLN A 104 3.173 6.965 9.192 1.00 0.53 H new ATOM 0 HG2 GLN A 104 1.911 8.970 7.351 1.00 0.68 H new ATOM 0 HG3 GLN A 104 1.153 8.741 8.914 1.00 0.68 H new ATOM 0 HE21 GLN A 104 3.060 10.862 7.470 1.00 2.71 H new ATOM 0 HE22 GLN A 104 4.161 11.289 8.783 1.00 2.71 H new ATOM 1577 N GLU A 105 5.650 7.044 7.229 1.00 0.38 N ATOM 1578 CA GLU A 105 6.927 7.596 6.796 1.00 0.40 C ATOM 1579 C GLU A 105 7.125 7.390 5.296 1.00 0.39 C ATOM 1580 O GLU A 105 7.255 8.365 4.560 1.00 0.45 O ATOM 1581 CB GLU A 105 8.089 6.964 7.570 1.00 0.41 C ATOM 1582 CG GLU A 105 8.134 7.495 9.004 1.00 0.72 C ATOM 1583 CD GLU A 105 9.273 6.852 9.782 1.00 2.12 C ATOM 1584 OE1 GLU A 105 9.197 5.620 9.978 1.00 3.37 O ATOM 1585 OE2 GLU A 105 10.210 7.599 10.136 1.00 2.95 O ATOM 0 H GLU A 105 5.729 6.310 7.933 1.00 0.38 H new ATOM 0 HA GLU A 105 6.914 8.666 7.004 1.00 0.40 H new ATOM 0 HB2 GLU A 105 7.978 5.880 7.581 1.00 0.41 H new ATOM 0 HB3 GLU A 105 9.030 7.183 7.066 1.00 0.41 H new ATOM 0 HG2 GLU A 105 8.261 8.577 8.992 1.00 0.72 H new ATOM 0 HG3 GLU A 105 7.186 7.291 9.502 1.00 0.72 H new ATOM 1592 N MET A 106 7.161 6.129 4.845 1.00 0.37 N ATOM 1593 CA MET A 106 7.482 5.811 3.455 1.00 0.46 C ATOM 1594 C MET A 106 6.560 6.575 2.504 1.00 0.56 C ATOM 1595 O MET A 106 6.984 7.029 1.443 1.00 0.77 O ATOM 1596 CB MET A 106 7.374 4.300 3.201 1.00 0.51 C ATOM 1597 CG MET A 106 8.136 3.898 1.924 1.00 1.12 C ATOM 1598 SD MET A 106 7.323 2.703 0.827 1.00 3.33 S ATOM 1599 CE MET A 106 6.038 3.747 0.102 1.00 4.87 C ATOM 0 H MET A 106 6.971 5.314 5.427 1.00 0.37 H new ATOM 0 HA MET A 106 8.511 6.118 3.266 1.00 0.46 H new ATOM 0 HB2 MET A 106 7.776 3.755 4.055 1.00 0.51 H new ATOM 0 HB3 MET A 106 6.325 4.018 3.107 1.00 0.51 H new ATOM 0 HG2 MET A 106 8.338 4.803 1.350 1.00 1.12 H new ATOM 0 HG3 MET A 106 9.101 3.486 2.220 1.00 1.12 H new ATOM 0 HE1 MET A 106 5.445 3.160 -0.600 1.00 4.87 H new ATOM 0 HE2 MET A 106 5.391 4.129 0.892 1.00 4.87 H new ATOM 0 HE3 MET A 106 6.501 4.582 -0.424 1.00 4.87 H new ATOM 1609 N VAL A 107 5.291 6.688 2.893 1.00 0.54 N ATOM 1610 CA VAL A 107 4.308 7.474 2.182 1.00 0.65 C ATOM 1611 C VAL A 107 4.607 8.963 2.348 1.00 0.87 C ATOM 1612 O VAL A 107 5.063 9.615 1.416 1.00 1.63 O ATOM 1613 CB VAL A 107 2.911 7.081 2.687 1.00 0.60 C ATOM 1614 CG1 VAL A 107 1.821 8.023 2.177 1.00 0.73 C ATOM 1615 CG2 VAL A 107 2.601 5.657 2.218 1.00 0.55 C ATOM 0 H VAL A 107 4.921 6.226 3.724 1.00 0.54 H new ATOM 0 HA VAL A 107 4.347 7.272 1.112 1.00 0.65 H new ATOM 0 HB VAL A 107 2.918 7.146 3.775 1.00 0.60 H new ATOM 0 HG11 VAL A 107 0.853 7.702 2.562 1.00 0.73 H new ATOM 0 HG12 VAL A 107 2.028 9.038 2.517 1.00 0.73 H new ATOM 0 HG13 VAL A 107 1.803 8.002 1.087 1.00 0.73 H new ATOM 0 HG21 VAL A 107 1.611 5.365 2.570 1.00 0.55 H new ATOM 0 HG22 VAL A 107 2.624 5.619 1.129 1.00 0.55 H new ATOM 0 HG23 VAL A 107 3.346 4.971 2.621 1.00 0.55 H new ATOM 1625 N HIS A 108 4.296 9.524 3.516 1.00 0.68 N ATOM 1626 CA HIS A 108 4.282 10.960 3.742 1.00 0.80 C ATOM 1627 C HIS A 108 5.579 11.603 3.276 1.00 0.98 C ATOM 1628 O HIS A 108 5.555 12.642 2.616 1.00 1.06 O ATOM 1629 CB HIS A 108 4.056 11.249 5.226 1.00 1.13 C ATOM 1630 CG HIS A 108 4.021 12.714 5.572 1.00 1.41 C ATOM 1631 ND1 HIS A 108 5.114 13.503 5.851 1.00 1.79 N ATOM 1632 CD2 HIS A 108 2.903 13.484 5.729 1.00 2.81 C ATOM 1633 CE1 HIS A 108 4.654 14.718 6.191 1.00 1.75 C ATOM 1634 NE2 HIS A 108 3.310 14.756 6.137 1.00 2.49 N ATOM 0 H HIS A 108 4.043 8.981 4.342 1.00 0.68 H new ATOM 0 HA HIS A 108 3.466 11.389 3.161 1.00 0.80 H new ATOM 0 HB2 HIS A 108 3.116 10.792 5.534 1.00 1.13 H new ATOM 0 HB3 HIS A 108 4.847 10.770 5.802 1.00 1.13 H new ATOM 0 HD1 HIS A 108 6.092 13.218 5.808 1.00 1.79 H new ATOM 0 HD2 HIS A 108 1.884 13.165 5.566 1.00 2.81 H new ATOM 0 HE1 HIS A 108 5.279 15.553 6.470 1.00 1.75 H new ATOM 1642 N SER A 109 6.689 10.951 3.622 1.00 1.55 N ATOM 1643 CA SER A 109 8.023 11.455 3.378 1.00 2.08 C ATOM 1644 C SER A 109 8.179 12.839 4.034 1.00 4.12 C ATOM 1645 O SER A 109 8.789 13.731 3.404 1.00 4.44 O ATOM 1646 CB SER A 109 8.292 11.426 1.865 1.00 1.95 C ATOM 1647 OG SER A 109 9.644 11.127 1.567 1.00 1.76 O ATOM 1648 OXT SER A 109 7.659 12.991 5.164 1.00 5.64 O ATOM 0 H SER A 109 6.677 10.043 4.087 1.00 1.55 H new ATOM 0 HA SER A 109 8.786 10.827 3.838 1.00 2.08 H new ATOM 0 HB2 SER A 109 7.646 10.683 1.397 1.00 1.95 H new ATOM 0 HB3 SER A 109 8.032 12.392 1.433 1.00 1.95 H new ATOM 0 HG SER A 109 9.770 11.117 0.595 1.00 1.76 H new TER 1654 SER A 109 HETATM 1655 CA CA A 110 9.600 -2.716 10.488 1.00 0.56 CA HETATM 1656 CA CA A 111 -1.995 -6.654 10.829 1.00 0.80 CA