USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 486 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 9 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -94:sc= 0.145 USER MOD Single : A 23 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-2!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0229 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00706) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -164:sc= -7.27! (180deg=-9.35!) USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= -0.0488 (180deg=-0.527) USER MOD Single : A 41 HIS : no HD1:sc= -0.549 K(o=-0.55,f=-0.0082) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= 0.00294 (180deg=-0.756) USER MOD Single : A 49 SER OG : rot 140:sc= -0.647 USER MOD Single : A 52 THR OG1 : rot -150:sc= -3.08! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc=-0.00382 (180deg=-0.168) USER MOD Single : A 60 SER OG : rot 54:sc= -0.0353 USER MOD Single : A 61 ASN : amide:sc= -0.666 X(o=-0.67,f=-0.79) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 9 10.082 -14.815 -16.857 1.00 0.00 N ATOM 2 CA GLN A 9 10.499 -15.777 -15.798 1.00 0.00 C ATOM 3 C GLN A 9 11.803 -15.296 -15.157 1.00 0.00 C ATOM 4 O GLN A 9 12.113 -15.633 -14.032 1.00 0.00 O ATOM 5 CB GLN A 9 10.717 -17.157 -16.422 1.00 0.00 C ATOM 6 CG GLN A 9 9.710 -18.147 -15.832 1.00 0.00 C ATOM 7 CD GLN A 9 10.075 -19.567 -16.269 1.00 0.00 C ATOM 8 OE1 GLN A 9 11.191 -20.006 -16.078 1.00 0.00 O ATOM 9 NE2 GLN A 9 9.174 -20.309 -16.852 1.00 0.00 N ATOM 0 HA GLN A 9 9.721 -15.840 -15.037 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.598 -17.102 -17.504 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.734 -17.498 -16.230 1.00 0.00 H new ATOM 0 HG2 GLN A 9 9.711 -18.078 -14.744 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.702 -17.900 -16.166 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.236 -19.941 -17.013 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.407 -21.257 -17.147 1.00 0.00 H new ATOM 18 N GLY A 10 12.567 -14.509 -15.863 1.00 0.00 N ATOM 19 CA GLY A 10 13.849 -14.008 -15.294 1.00 0.00 C ATOM 20 C GLY A 10 14.997 -14.910 -15.748 1.00 0.00 C ATOM 21 O GLY A 10 15.017 -16.093 -15.471 1.00 0.00 O ATOM 0 H GLY A 10 12.359 -14.191 -16.810 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.027 -12.983 -15.619 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.794 -13.992 -14.206 1.00 0.00 H new ATOM 25 N ASP A 11 15.954 -14.361 -16.445 1.00 0.00 N ATOM 26 CA ASP A 11 17.100 -15.188 -16.918 1.00 0.00 C ATOM 27 C ASP A 11 18.369 -14.334 -16.936 1.00 0.00 C ATOM 28 O ASP A 11 18.313 -13.125 -17.038 1.00 0.00 O ATOM 29 CB ASP A 11 16.811 -15.702 -18.330 1.00 0.00 C ATOM 30 CG ASP A 11 15.998 -16.994 -18.245 1.00 0.00 C ATOM 31 OD1 ASP A 11 14.788 -16.903 -18.112 1.00 0.00 O ATOM 32 OD2 ASP A 11 16.597 -18.054 -18.316 1.00 0.00 O ATOM 0 H ASP A 11 15.992 -13.376 -16.707 1.00 0.00 H new ATOM 0 HA ASP A 11 17.240 -16.035 -16.246 1.00 0.00 H new ATOM 0 HB2 ASP A 11 16.261 -14.950 -18.897 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.745 -15.882 -18.862 1.00 0.00 H new ATOM 37 N ILE A 12 19.514 -14.953 -16.840 1.00 0.00 N ATOM 38 CA ILE A 12 20.783 -14.173 -16.853 1.00 0.00 C ATOM 39 C ILE A 12 21.526 -14.432 -18.166 1.00 0.00 C ATOM 40 O ILE A 12 21.659 -15.559 -18.602 1.00 0.00 O ATOM 41 CB ILE A 12 21.659 -14.603 -15.670 1.00 0.00 C ATOM 42 CG1 ILE A 12 22.577 -13.447 -15.271 1.00 0.00 C ATOM 43 CG2 ILE A 12 22.509 -15.813 -16.065 1.00 0.00 C ATOM 44 CD1 ILE A 12 21.865 -12.557 -14.251 1.00 0.00 C ATOM 0 H ILE A 12 19.625 -15.963 -16.753 1.00 0.00 H new ATOM 0 HA ILE A 12 20.559 -13.110 -16.768 1.00 0.00 H new ATOM 0 HB ILE A 12 21.020 -14.872 -14.829 1.00 0.00 H new ATOM 0 HG12 ILE A 12 23.503 -13.834 -14.847 1.00 0.00 H new ATOM 0 HG13 ILE A 12 22.848 -12.864 -16.151 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.129 -16.113 -15.220 1.00 0.00 H new ATOM 0 HG22 ILE A 12 21.857 -16.639 -16.348 1.00 0.00 H new ATOM 0 HG23 ILE A 12 23.148 -15.549 -16.908 1.00 0.00 H new ATOM 0 HD11 ILE A 12 22.520 -11.733 -13.967 1.00 0.00 H new ATOM 0 HD12 ILE A 12 20.951 -12.159 -14.691 1.00 0.00 H new ATOM 0 HD13 ILE A 12 21.616 -13.144 -13.367 1.00 0.00 H new ATOM 56 N VAL A 13 22.011 -13.401 -18.798 1.00 0.00 N ATOM 57 CA VAL A 13 22.742 -13.590 -20.081 1.00 0.00 C ATOM 58 C VAL A 13 24.079 -12.855 -20.006 1.00 0.00 C ATOM 59 O VAL A 13 24.233 -11.909 -19.260 1.00 0.00 O ATOM 60 CB VAL A 13 21.912 -13.014 -21.230 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.934 -14.076 -21.735 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.130 -11.795 -20.733 1.00 0.00 C ATOM 0 H VAL A 13 21.933 -12.435 -18.481 1.00 0.00 H new ATOM 0 HA VAL A 13 22.913 -14.653 -20.254 1.00 0.00 H new ATOM 0 HB VAL A 13 22.574 -12.715 -22.042 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.342 -13.666 -22.554 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.490 -14.944 -22.089 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.271 -14.376 -20.923 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.538 -11.384 -21.551 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.468 -12.094 -19.921 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.827 -11.038 -20.373 1.00 0.00 H new ATOM 72 N VAL A 14 25.046 -13.269 -20.777 1.00 0.00 N ATOM 73 CA VAL A 14 26.356 -12.568 -20.737 1.00 0.00 C ATOM 74 C VAL A 14 26.586 -11.869 -22.076 1.00 0.00 C ATOM 75 O VAL A 14 26.370 -12.434 -23.130 1.00 0.00 O ATOM 76 CB VAL A 14 27.481 -13.569 -20.464 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.687 -14.453 -21.695 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.775 -12.811 -20.159 1.00 0.00 C ATOM 0 H VAL A 14 24.986 -14.054 -21.426 1.00 0.00 H new ATOM 0 HA VAL A 14 26.351 -11.829 -19.936 1.00 0.00 H new ATOM 0 HB VAL A 14 27.214 -14.191 -19.610 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.488 -15.166 -21.501 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.766 -14.993 -21.913 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.954 -13.831 -22.549 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.577 -13.523 -19.964 1.00 0.00 H new ATOM 0 HG22 VAL A 14 29.042 -12.189 -21.013 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.629 -12.180 -19.282 1.00 0.00 H new ATOM 88 N ALA A 15 27.014 -10.640 -22.039 1.00 0.00 N ATOM 89 CA ALA A 15 27.252 -9.890 -23.301 1.00 0.00 C ATOM 90 C ALA A 15 28.232 -10.655 -24.190 1.00 0.00 C ATOM 91 O ALA A 15 29.379 -10.851 -23.843 1.00 0.00 O ATOM 92 CB ALA A 15 27.838 -8.517 -22.969 1.00 0.00 C ATOM 0 H ALA A 15 27.210 -10.120 -21.184 1.00 0.00 H new ATOM 0 HA ALA A 15 26.306 -9.773 -23.830 1.00 0.00 H new ATOM 0 HB1 ALA A 15 28.014 -7.964 -23.892 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.138 -7.964 -22.342 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.780 -8.643 -22.436 1.00 0.00 H new ATOM 98 N LEU A 16 27.795 -11.064 -25.349 1.00 0.00 N ATOM 99 CA LEU A 16 28.707 -11.785 -26.276 1.00 0.00 C ATOM 100 C LEU A 16 29.403 -10.743 -27.145 1.00 0.00 C ATOM 101 O LEU A 16 30.517 -10.924 -27.594 1.00 0.00 O ATOM 102 CB LEU A 16 27.902 -12.736 -27.166 1.00 0.00 C ATOM 103 CG LEU A 16 27.300 -13.856 -26.317 1.00 0.00 C ATOM 104 CD1 LEU A 16 26.124 -14.483 -27.068 1.00 0.00 C ATOM 105 CD2 LEU A 16 28.364 -14.923 -26.051 1.00 0.00 C ATOM 0 H LEU A 16 26.844 -10.929 -25.693 1.00 0.00 H new ATOM 0 HA LEU A 16 29.435 -12.369 -25.713 1.00 0.00 H new ATOM 0 HB2 LEU A 16 27.110 -12.188 -27.676 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.545 -13.158 -27.938 1.00 0.00 H new ATOM 0 HG LEU A 16 26.952 -13.448 -25.368 1.00 0.00 H new ATOM 0 HD11 LEU A 16 25.692 -15.282 -26.466 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.367 -13.722 -27.258 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.474 -14.892 -28.016 1.00 0.00 H new ATOM 0 HD21 LEU A 16 27.935 -15.722 -25.446 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.713 -15.333 -26.999 1.00 0.00 H new ATOM 0 HD23 LEU A 16 29.203 -14.475 -25.519 1.00 0.00 H new ATOM 117 N TYR A 17 28.738 -9.645 -27.376 1.00 0.00 N ATOM 118 CA TYR A 17 29.326 -8.562 -28.206 1.00 0.00 C ATOM 119 C TYR A 17 29.047 -7.216 -27.536 1.00 0.00 C ATOM 120 O TYR A 17 27.986 -7.000 -26.984 1.00 0.00 O ATOM 121 CB TYR A 17 28.672 -8.576 -29.591 1.00 0.00 C ATOM 122 CG TYR A 17 29.330 -9.629 -30.450 1.00 0.00 C ATOM 123 CD1 TYR A 17 29.149 -10.986 -30.156 1.00 0.00 C ATOM 124 CD2 TYR A 17 30.118 -9.248 -31.543 1.00 0.00 C ATOM 125 CE1 TYR A 17 29.757 -11.962 -30.954 1.00 0.00 C ATOM 126 CE2 TYR A 17 30.726 -10.225 -32.341 1.00 0.00 C ATOM 127 CZ TYR A 17 30.546 -11.581 -32.047 1.00 0.00 C ATOM 128 OH TYR A 17 31.145 -12.544 -32.834 1.00 0.00 O ATOM 0 H TYR A 17 27.802 -9.452 -27.020 1.00 0.00 H new ATOM 0 HA TYR A 17 30.401 -8.714 -28.305 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.606 -8.781 -29.499 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.769 -7.597 -30.060 1.00 0.00 H new ATOM 0 HD1 TYR A 17 28.540 -11.280 -29.314 1.00 0.00 H new ATOM 0 HD2 TYR A 17 30.257 -8.201 -31.770 1.00 0.00 H new ATOM 0 HE1 TYR A 17 29.618 -13.009 -30.727 1.00 0.00 H new ATOM 0 HE2 TYR A 17 31.334 -9.932 -33.184 1.00 0.00 H new ATOM 0 HH TYR A 17 31.655 -12.111 -33.550 1.00 0.00 H new ATOM 138 N PRO A 18 30.010 -6.289 -27.598 1.00 0.00 N ATOM 139 CA PRO A 18 29.863 -4.949 -27.011 1.00 0.00 C ATOM 140 C PRO A 18 28.695 -4.181 -27.639 1.00 0.00 C ATOM 141 O PRO A 18 28.462 -4.247 -28.829 1.00 0.00 O ATOM 142 CB PRO A 18 31.201 -4.276 -27.337 1.00 0.00 C ATOM 143 CG PRO A 18 31.704 -5.032 -28.518 1.00 0.00 C ATOM 144 CD PRO A 18 31.317 -6.456 -28.246 1.00 0.00 C ATOM 0 HA PRO A 18 29.643 -4.979 -25.944 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.071 -3.218 -27.566 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.894 -4.338 -26.498 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.255 -4.668 -29.442 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.784 -4.928 -28.625 1.00 0.00 H new ATOM 0 HD2 PRO A 18 31.248 -7.044 -29.161 1.00 0.00 H new ATOM 0 HD3 PRO A 18 32.034 -6.959 -27.597 1.00 0.00 H new ATOM 152 N TYR A 19 27.954 -3.464 -26.839 1.00 0.00 N ATOM 153 CA TYR A 19 26.791 -2.700 -27.373 1.00 0.00 C ATOM 154 C TYR A 19 26.839 -1.268 -26.843 1.00 0.00 C ATOM 155 O TYR A 19 26.855 -1.042 -25.650 1.00 0.00 O ATOM 156 CB TYR A 19 25.497 -3.369 -26.899 1.00 0.00 C ATOM 157 CG TYR A 19 24.324 -2.862 -27.707 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.672 -1.678 -27.336 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.881 -3.585 -28.822 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.578 -1.217 -28.082 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.787 -3.124 -29.566 1.00 0.00 C ATOM 162 CZ TYR A 19 22.137 -1.940 -29.196 1.00 0.00 C ATOM 163 OH TYR A 19 21.059 -1.488 -29.931 1.00 0.00 O ATOM 0 H TYR A 19 28.105 -3.374 -25.834 1.00 0.00 H new ATOM 0 HA TYR A 19 26.826 -2.687 -28.462 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.579 -4.451 -27.002 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.337 -3.161 -25.841 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.012 -1.121 -26.476 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.383 -4.498 -29.108 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.076 -0.304 -27.797 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.445 -3.682 -30.425 1.00 0.00 H new ATOM 0 HH TYR A 19 20.240 -1.918 -29.609 1.00 0.00 H new ATOM 173 N ASP A 20 26.854 -0.298 -27.711 1.00 0.00 N ATOM 174 CA ASP A 20 26.891 1.112 -27.236 1.00 0.00 C ATOM 175 C ASP A 20 25.495 1.718 -27.380 1.00 0.00 C ATOM 176 O ASP A 20 25.017 1.942 -28.473 1.00 0.00 O ATOM 177 CB ASP A 20 27.898 1.916 -28.061 1.00 0.00 C ATOM 178 CG ASP A 20 29.084 2.308 -27.176 1.00 0.00 C ATOM 179 OD1 ASP A 20 28.934 2.265 -25.966 1.00 0.00 O ATOM 180 OD2 ASP A 20 30.120 2.645 -27.724 1.00 0.00 O ATOM 0 H ASP A 20 26.842 -0.418 -28.724 1.00 0.00 H new ATOM 0 HA ASP A 20 27.198 1.140 -26.191 1.00 0.00 H new ATOM 0 HB2 ASP A 20 28.243 1.325 -28.910 1.00 0.00 H new ATOM 0 HB3 ASP A 20 27.422 2.809 -28.466 1.00 0.00 H new ATOM 185 N GLY A 21 24.840 1.965 -26.276 1.00 0.00 N ATOM 186 CA GLY A 21 23.463 2.543 -26.311 1.00 0.00 C ATOM 187 C GLY A 21 23.260 3.378 -27.576 1.00 0.00 C ATOM 188 O GLY A 21 23.491 4.571 -27.587 1.00 0.00 O ATOM 0 H GLY A 21 25.205 1.789 -25.340 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.726 1.741 -26.276 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.301 3.164 -25.430 1.00 0.00 H new ATOM 192 N ILE A 22 22.814 2.763 -28.638 1.00 0.00 N ATOM 193 CA ILE A 22 22.581 3.527 -29.895 1.00 0.00 C ATOM 194 C ILE A 22 21.138 4.028 -29.895 1.00 0.00 C ATOM 195 O ILE A 22 20.766 4.899 -30.657 1.00 0.00 O ATOM 196 CB ILE A 22 22.812 2.615 -31.102 1.00 0.00 C ATOM 197 CG1 ILE A 22 23.969 1.658 -30.806 1.00 0.00 C ATOM 198 CG2 ILE A 22 23.155 3.466 -32.326 1.00 0.00 C ATOM 199 CD1 ILE A 22 24.204 0.749 -32.014 1.00 0.00 C ATOM 0 H ILE A 22 22.602 1.767 -28.689 1.00 0.00 H new ATOM 0 HA ILE A 22 23.269 4.370 -29.955 1.00 0.00 H new ATOM 0 HB ILE A 22 21.907 2.040 -31.301 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.874 2.223 -30.582 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.742 1.058 -29.925 1.00 0.00 H new ATOM 0 HG21 ILE A 22 23.320 2.817 -33.186 1.00 0.00 H new ATOM 0 HG22 ILE A 22 22.331 4.147 -32.538 1.00 0.00 H new ATOM 0 HG23 ILE A 22 24.059 4.041 -32.127 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.028 0.068 -31.802 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.301 0.174 -32.217 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.451 1.357 -32.884 1.00 0.00 H new ATOM 211 N HIS A 23 20.325 3.483 -29.032 1.00 0.00 N ATOM 212 CA HIS A 23 18.903 3.913 -28.954 1.00 0.00 C ATOM 213 C HIS A 23 18.668 4.604 -27.610 1.00 0.00 C ATOM 214 O HIS A 23 19.550 4.671 -26.778 1.00 0.00 O ATOM 215 CB HIS A 23 17.995 2.686 -29.061 1.00 0.00 C ATOM 216 CG HIS A 23 17.233 2.738 -30.356 1.00 0.00 C ATOM 217 ND1 HIS A 23 15.964 2.198 -30.490 1.00 0.00 N ATOM 218 CD2 HIS A 23 17.548 3.262 -31.587 1.00 0.00 C ATOM 219 CE1 HIS A 23 15.564 2.407 -31.758 1.00 0.00 C ATOM 220 NE2 HIS A 23 16.492 3.051 -32.469 1.00 0.00 N ATOM 0 H HIS A 23 20.589 2.751 -28.372 1.00 0.00 H new ATOM 0 HA HIS A 23 18.678 4.601 -29.769 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.591 1.774 -29.013 1.00 0.00 H new ATOM 0 HB3 HIS A 23 17.302 2.658 -28.220 1.00 0.00 H new ATOM 0 HD2 HIS A 23 18.474 3.761 -31.832 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.609 2.092 -32.152 1.00 0.00 H new ATOM 0 HE2 HIS A 23 16.439 3.329 -33.449 1.00 0.00 H new ATOM 228 N PRO A 24 17.455 5.129 -27.396 1.00 0.00 N ATOM 229 CA PRO A 24 17.105 5.816 -26.150 1.00 0.00 C ATOM 230 C PRO A 24 16.965 4.839 -24.979 1.00 0.00 C ATOM 231 O PRO A 24 17.257 5.169 -23.847 1.00 0.00 O ATOM 232 CB PRO A 24 15.753 6.457 -26.459 1.00 0.00 C ATOM 233 CG PRO A 24 15.174 5.610 -27.544 1.00 0.00 C ATOM 234 CD PRO A 24 16.333 5.095 -28.351 1.00 0.00 C ATOM 0 HA PRO A 24 17.872 6.531 -25.851 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.110 6.469 -25.579 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.869 7.491 -26.783 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.596 4.786 -27.126 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.495 6.191 -28.168 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.149 4.086 -28.720 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.527 5.722 -29.221 1.00 0.00 H new ATOM 242 N ASP A 25 16.514 3.644 -25.238 1.00 0.00 N ATOM 243 CA ASP A 25 16.348 2.658 -24.134 1.00 0.00 C ATOM 244 C ASP A 25 17.365 1.521 -24.282 1.00 0.00 C ATOM 245 O ASP A 25 17.506 0.691 -23.408 1.00 0.00 O ATOM 246 CB ASP A 25 14.931 2.080 -24.183 1.00 0.00 C ATOM 247 CG ASP A 25 14.008 2.922 -23.301 1.00 0.00 C ATOM 248 OD1 ASP A 25 14.460 3.363 -22.257 1.00 0.00 O ATOM 249 OD2 ASP A 25 12.865 3.110 -23.684 1.00 0.00 O ATOM 0 H ASP A 25 16.253 3.307 -26.165 1.00 0.00 H new ATOM 0 HA ASP A 25 16.513 3.159 -23.180 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.565 2.073 -25.210 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.936 1.046 -23.840 1.00 0.00 H new ATOM 254 N ASP A 26 18.070 1.468 -25.380 1.00 0.00 N ATOM 255 CA ASP A 26 19.065 0.376 -25.569 1.00 0.00 C ATOM 256 C ASP A 26 20.125 0.450 -24.468 1.00 0.00 C ATOM 257 O ASP A 26 20.790 1.454 -24.306 1.00 0.00 O ATOM 258 CB ASP A 26 19.743 0.540 -26.928 1.00 0.00 C ATOM 259 CG ASP A 26 19.270 -0.570 -27.870 1.00 0.00 C ATOM 260 OD1 ASP A 26 19.853 -1.641 -27.831 1.00 0.00 O ATOM 261 OD2 ASP A 26 18.335 -0.329 -28.616 1.00 0.00 O ATOM 0 H ASP A 26 18.000 2.132 -26.151 1.00 0.00 H new ATOM 0 HA ASP A 26 18.557 -0.587 -25.522 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.505 1.516 -27.350 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.826 0.498 -26.814 1.00 0.00 H new ATOM 266 N LEU A 27 20.303 -0.602 -23.716 1.00 0.00 N ATOM 267 CA LEU A 27 21.336 -0.577 -22.642 1.00 0.00 C ATOM 268 C LEU A 27 22.674 -1.011 -23.245 1.00 0.00 C ATOM 269 O LEU A 27 22.747 -1.964 -23.996 1.00 0.00 O ATOM 270 CB LEU A 27 20.915 -1.522 -21.506 1.00 0.00 C ATOM 271 CG LEU A 27 22.127 -1.935 -20.664 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.916 -3.023 -21.396 1.00 0.00 C ATOM 273 CD2 LEU A 27 23.026 -0.722 -20.417 1.00 0.00 C ATOM 0 H LEU A 27 19.780 -1.474 -23.798 1.00 0.00 H new ATOM 0 HA LEU A 27 21.438 0.427 -22.230 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.177 -1.030 -20.872 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.437 -2.409 -21.923 1.00 0.00 H new ATOM 0 HG LEU A 27 21.782 -2.324 -19.706 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.777 -3.315 -20.795 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.276 -3.890 -21.558 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.258 -2.640 -22.358 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.886 -1.022 -19.818 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.370 -0.324 -21.372 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.464 0.045 -19.885 1.00 0.00 H new ATOM 285 N SER A 28 23.731 -0.310 -22.940 1.00 0.00 N ATOM 286 CA SER A 28 25.060 -0.669 -23.513 1.00 0.00 C ATOM 287 C SER A 28 25.725 -1.766 -22.678 1.00 0.00 C ATOM 288 O SER A 28 25.745 -1.714 -21.464 1.00 0.00 O ATOM 289 CB SER A 28 25.956 0.572 -23.515 1.00 0.00 C ATOM 290 OG SER A 28 26.838 0.522 -22.403 1.00 0.00 O ATOM 0 H SER A 28 23.732 0.498 -22.317 1.00 0.00 H new ATOM 0 HA SER A 28 24.919 -1.036 -24.530 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.526 0.620 -24.443 1.00 0.00 H new ATOM 0 HB3 SER A 28 25.346 1.474 -23.468 1.00 0.00 H new ATOM 0 HG SER A 28 27.413 1.316 -22.405 1.00 0.00 H new ATOM 296 N PHE A 29 26.299 -2.742 -23.325 1.00 0.00 N ATOM 297 CA PHE A 29 26.994 -3.826 -22.578 1.00 0.00 C ATOM 298 C PHE A 29 28.287 -4.174 -23.316 1.00 0.00 C ATOM 299 O PHE A 29 28.364 -4.071 -24.524 1.00 0.00 O ATOM 300 CB PHE A 29 26.099 -5.068 -22.467 1.00 0.00 C ATOM 301 CG PHE A 29 25.413 -5.365 -23.780 1.00 0.00 C ATOM 302 CD1 PHE A 29 26.026 -6.206 -24.716 1.00 0.00 C ATOM 303 CD2 PHE A 29 24.151 -4.822 -24.050 1.00 0.00 C ATOM 304 CE1 PHE A 29 25.379 -6.503 -25.923 1.00 0.00 C ATOM 305 CE2 PHE A 29 23.501 -5.122 -25.254 1.00 0.00 C ATOM 306 CZ PHE A 29 24.115 -5.962 -26.191 1.00 0.00 C ATOM 0 H PHE A 29 26.316 -2.835 -24.341 1.00 0.00 H new ATOM 0 HA PHE A 29 27.220 -3.484 -21.568 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.699 -5.926 -22.165 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.351 -4.912 -21.690 1.00 0.00 H new ATOM 0 HD1 PHE A 29 26.999 -6.626 -24.508 1.00 0.00 H new ATOM 0 HD2 PHE A 29 23.678 -4.171 -23.329 1.00 0.00 H new ATOM 0 HE1 PHE A 29 25.855 -7.149 -26.646 1.00 0.00 H new ATOM 0 HE2 PHE A 29 22.526 -4.705 -25.460 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.614 -6.193 -27.120 1.00 0.00 H new ATOM 316 N LYS A 30 29.307 -4.572 -22.611 1.00 0.00 N ATOM 317 CA LYS A 30 30.588 -4.906 -23.295 1.00 0.00 C ATOM 318 C LYS A 30 30.795 -6.416 -23.275 1.00 0.00 C ATOM 319 O LYS A 30 30.569 -7.061 -22.273 1.00 0.00 O ATOM 320 CB LYS A 30 31.745 -4.228 -22.560 1.00 0.00 C ATOM 321 CG LYS A 30 32.637 -3.504 -23.569 1.00 0.00 C ATOM 322 CD LYS A 30 33.765 -2.785 -22.827 1.00 0.00 C ATOM 323 CE LYS A 30 35.111 -3.185 -23.434 1.00 0.00 C ATOM 324 NZ LYS A 30 36.165 -3.134 -22.382 1.00 0.00 N ATOM 0 H LYS A 30 29.311 -4.680 -21.597 1.00 0.00 H new ATOM 0 HA LYS A 30 30.553 -4.556 -24.327 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.359 -3.520 -21.827 1.00 0.00 H new ATOM 0 HB3 LYS A 30 32.326 -4.970 -22.012 1.00 0.00 H new ATOM 0 HG2 LYS A 30 33.052 -4.217 -24.281 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.049 -2.787 -24.142 1.00 0.00 H new ATOM 0 HD2 LYS A 30 33.630 -1.706 -22.895 1.00 0.00 H new ATOM 0 HD3 LYS A 30 33.740 -3.043 -21.768 1.00 0.00 H new ATOM 0 HE2 LYS A 30 35.049 -4.189 -23.853 1.00 0.00 H new ATOM 0 HE3 LYS A 30 35.367 -2.513 -24.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 37.080 -3.406 -22.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 36.230 -2.168 -22.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 35.922 -3.792 -21.615 1.00 0.00 H new ATOM 338 N LYS A 31 31.228 -6.992 -24.364 1.00 0.00 N ATOM 339 CA LYS A 31 31.449 -8.463 -24.366 1.00 0.00 C ATOM 340 C LYS A 31 32.043 -8.864 -23.015 1.00 0.00 C ATOM 341 O LYS A 31 32.709 -8.082 -22.367 1.00 0.00 O ATOM 342 CB LYS A 31 32.414 -8.855 -25.483 1.00 0.00 C ATOM 343 CG LYS A 31 33.680 -8.000 -25.387 1.00 0.00 C ATOM 344 CD LYS A 31 34.564 -8.260 -26.609 1.00 0.00 C ATOM 345 CE LYS A 31 35.105 -9.690 -26.553 1.00 0.00 C ATOM 346 NZ LYS A 31 36.276 -9.742 -25.633 1.00 0.00 N ATOM 0 H LYS A 31 31.435 -6.514 -25.241 1.00 0.00 H new ATOM 0 HA LYS A 31 30.501 -8.974 -24.533 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.669 -9.912 -25.404 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.940 -8.714 -26.454 1.00 0.00 H new ATOM 0 HG2 LYS A 31 33.415 -6.944 -25.334 1.00 0.00 H new ATOM 0 HG3 LYS A 31 34.225 -8.238 -24.473 1.00 0.00 H new ATOM 0 HD2 LYS A 31 33.990 -8.113 -27.524 1.00 0.00 H new ATOM 0 HD3 LYS A 31 35.389 -7.548 -26.632 1.00 0.00 H new ATOM 0 HE2 LYS A 31 34.327 -10.371 -26.208 1.00 0.00 H new ATOM 0 HE3 LYS A 31 35.397 -10.019 -27.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 36.686 -10.698 -25.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 36.992 -9.054 -25.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 35.969 -9.511 -24.667 1.00 0.00 H new ATOM 360 N GLY A 32 31.803 -10.066 -22.580 1.00 0.00 N ATOM 361 CA GLY A 32 32.354 -10.501 -21.264 1.00 0.00 C ATOM 362 C GLY A 32 31.493 -9.943 -20.119 1.00 0.00 C ATOM 363 O GLY A 32 31.570 -10.407 -18.999 1.00 0.00 O ATOM 0 H GLY A 32 31.251 -10.767 -23.075 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.379 -11.590 -21.213 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.382 -10.154 -21.159 1.00 0.00 H new ATOM 367 N GLU A 33 30.675 -8.955 -20.384 1.00 0.00 N ATOM 368 CA GLU A 33 29.822 -8.383 -19.298 1.00 0.00 C ATOM 369 C GLU A 33 28.561 -9.235 -19.131 1.00 0.00 C ATOM 370 O GLU A 33 28.115 -9.892 -20.048 1.00 0.00 O ATOM 371 CB GLU A 33 29.424 -6.945 -19.643 1.00 0.00 C ATOM 372 CG GLU A 33 30.430 -5.975 -19.019 1.00 0.00 C ATOM 373 CD GLU A 33 31.695 -5.927 -19.879 1.00 0.00 C ATOM 374 OE1 GLU A 33 32.048 -6.953 -20.437 1.00 0.00 O ATOM 375 OE2 GLU A 33 32.289 -4.866 -19.963 1.00 0.00 O ATOM 0 H GLU A 33 30.561 -8.522 -21.300 1.00 0.00 H new ATOM 0 HA GLU A 33 30.389 -8.383 -18.367 1.00 0.00 H new ATOM 0 HB2 GLU A 33 29.398 -6.813 -20.725 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.421 -6.735 -19.272 1.00 0.00 H new ATOM 0 HG2 GLU A 33 29.992 -4.980 -18.942 1.00 0.00 H new ATOM 0 HG3 GLU A 33 30.678 -6.293 -18.006 1.00 0.00 H new ATOM 382 N LYS A 34 27.992 -9.234 -17.953 1.00 0.00 N ATOM 383 CA LYS A 34 26.766 -10.048 -17.708 1.00 0.00 C ATOM 384 C LYS A 34 25.539 -9.137 -17.642 1.00 0.00 C ATOM 385 O LYS A 34 25.604 -8.011 -17.189 1.00 0.00 O ATOM 386 CB LYS A 34 26.912 -10.801 -16.385 1.00 0.00 C ATOM 387 CG LYS A 34 28.170 -11.671 -16.430 1.00 0.00 C ATOM 388 CD LYS A 34 28.733 -11.827 -15.016 1.00 0.00 C ATOM 389 CE LYS A 34 28.516 -13.264 -14.537 1.00 0.00 C ATOM 390 NZ LYS A 34 29.675 -13.689 -13.702 1.00 0.00 N ATOM 0 H LYS A 34 28.325 -8.703 -17.149 1.00 0.00 H new ATOM 0 HA LYS A 34 26.640 -10.760 -18.524 1.00 0.00 H new ATOM 0 HB2 LYS A 34 26.975 -10.095 -15.557 1.00 0.00 H new ATOM 0 HB3 LYS A 34 26.034 -11.422 -16.209 1.00 0.00 H new ATOM 0 HG2 LYS A 34 27.934 -12.649 -16.849 1.00 0.00 H new ATOM 0 HG3 LYS A 34 28.916 -11.217 -17.082 1.00 0.00 H new ATOM 0 HD2 LYS A 34 29.796 -11.586 -15.008 1.00 0.00 H new ATOM 0 HD3 LYS A 34 28.242 -11.128 -14.338 1.00 0.00 H new ATOM 0 HE2 LYS A 34 27.594 -13.331 -13.960 1.00 0.00 H new ATOM 0 HE3 LYS A 34 28.406 -13.931 -15.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 29.528 -14.666 -13.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 30.547 -13.640 -14.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 29.760 -13.058 -12.879 1.00 0.00 H new ATOM 404 N MET A 35 24.420 -9.625 -18.099 1.00 0.00 N ATOM 405 CA MET A 35 23.170 -8.816 -18.083 1.00 0.00 C ATOM 406 C MET A 35 21.997 -9.696 -17.662 1.00 0.00 C ATOM 407 O MET A 35 22.010 -10.900 -17.828 1.00 0.00 O ATOM 408 CB MET A 35 22.890 -8.279 -19.483 1.00 0.00 C ATOM 409 CG MET A 35 23.419 -6.847 -19.597 1.00 0.00 C ATOM 410 SD MET A 35 23.301 -6.288 -21.317 1.00 0.00 S ATOM 411 CE MET A 35 23.907 -7.804 -22.098 1.00 0.00 C ATOM 0 H MET A 35 24.317 -10.562 -18.488 1.00 0.00 H new ATOM 0 HA MET A 35 23.291 -7.991 -17.382 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.367 -8.914 -20.230 1.00 0.00 H new ATOM 0 HB3 MET A 35 21.819 -8.299 -19.684 1.00 0.00 H new ATOM 0 HG2 MET A 35 22.845 -6.184 -18.949 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.455 -6.804 -19.261 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.186 -7.595 -23.131 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.778 -8.171 -21.554 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.123 -8.561 -22.080 1.00 0.00 H new ATOM 421 N LYS A 36 20.977 -9.092 -17.125 1.00 0.00 N ATOM 422 CA LYS A 36 19.784 -9.869 -16.694 1.00 0.00 C ATOM 423 C LYS A 36 18.553 -9.312 -17.408 1.00 0.00 C ATOM 424 O LYS A 36 18.399 -8.117 -17.541 1.00 0.00 O ATOM 425 CB LYS A 36 19.604 -9.733 -15.180 1.00 0.00 C ATOM 426 CG LYS A 36 18.308 -10.426 -14.757 1.00 0.00 C ATOM 427 CD LYS A 36 18.636 -11.791 -14.145 1.00 0.00 C ATOM 428 CE LYS A 36 19.252 -11.593 -12.758 1.00 0.00 C ATOM 429 NZ LYS A 36 19.322 -12.905 -12.056 1.00 0.00 N ATOM 0 H LYS A 36 20.918 -8.086 -16.965 1.00 0.00 H new ATOM 0 HA LYS A 36 19.915 -10.922 -16.944 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.453 -10.177 -14.661 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.574 -8.680 -14.900 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.773 -9.810 -14.034 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.651 -10.550 -15.618 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.732 -12.395 -14.070 1.00 0.00 H new ATOM 0 HD3 LYS A 36 19.329 -12.333 -14.789 1.00 0.00 H new ATOM 0 HE2 LYS A 36 20.249 -11.163 -12.849 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.653 -10.890 -12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.022 -12.851 -11.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.389 -13.136 -11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 19.604 -13.645 -12.730 1.00 0.00 H new ATOM 443 N VAL A 37 17.677 -10.162 -17.862 1.00 0.00 N ATOM 444 CA VAL A 37 16.458 -9.665 -18.563 1.00 0.00 C ATOM 445 C VAL A 37 15.250 -9.791 -17.633 1.00 0.00 C ATOM 446 O VAL A 37 14.898 -10.870 -17.197 1.00 0.00 O ATOM 447 CB VAL A 37 16.230 -10.482 -19.841 1.00 0.00 C ATOM 448 CG1 VAL A 37 16.646 -11.935 -19.608 1.00 0.00 C ATOM 449 CG2 VAL A 37 14.751 -10.433 -20.233 1.00 0.00 C ATOM 0 H VAL A 37 17.750 -11.176 -17.780 1.00 0.00 H new ATOM 0 HA VAL A 37 16.592 -8.618 -18.833 1.00 0.00 H new ATOM 0 HB VAL A 37 16.831 -10.057 -20.645 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.482 -12.511 -20.519 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.702 -11.973 -19.340 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.051 -12.359 -18.799 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.596 -11.015 -21.141 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.147 -10.850 -19.427 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.456 -9.399 -20.410 1.00 0.00 H new ATOM 459 N LEU A 38 14.618 -8.693 -17.317 1.00 0.00 N ATOM 460 CA LEU A 38 13.440 -8.744 -16.405 1.00 0.00 C ATOM 461 C LEU A 38 12.150 -8.851 -17.222 1.00 0.00 C ATOM 462 O LEU A 38 11.153 -9.363 -16.752 1.00 0.00 O ATOM 463 CB LEU A 38 13.398 -7.472 -15.554 1.00 0.00 C ATOM 464 CG LEU A 38 14.825 -6.997 -15.272 1.00 0.00 C ATOM 465 CD1 LEU A 38 15.142 -5.784 -16.150 1.00 0.00 C ATOM 466 CD2 LEU A 38 14.951 -6.606 -13.798 1.00 0.00 C ATOM 0 H LEU A 38 14.867 -7.762 -17.652 1.00 0.00 H new ATOM 0 HA LEU A 38 13.528 -9.617 -15.758 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.840 -6.693 -16.074 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.876 -7.666 -14.617 1.00 0.00 H new ATOM 0 HG LEU A 38 15.526 -7.801 -15.496 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.158 -5.445 -15.949 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.053 -6.062 -17.200 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.441 -4.980 -15.926 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.967 -6.268 -13.597 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.250 -5.802 -13.574 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.726 -7.469 -13.172 1.00 0.00 H new ATOM 478 N GLU A 39 12.153 -8.377 -18.439 1.00 0.00 N ATOM 479 CA GLU A 39 10.919 -8.463 -19.267 1.00 0.00 C ATOM 480 C GLU A 39 11.282 -8.987 -20.654 1.00 0.00 C ATOM 481 O GLU A 39 12.247 -8.559 -21.253 1.00 0.00 O ATOM 482 CB GLU A 39 10.288 -7.074 -19.391 1.00 0.00 C ATOM 483 CG GLU A 39 9.441 -6.787 -18.149 1.00 0.00 C ATOM 484 CD GLU A 39 8.806 -5.401 -18.274 1.00 0.00 C ATOM 485 OE1 GLU A 39 9.344 -4.586 -19.004 1.00 0.00 O ATOM 486 OE2 GLU A 39 7.789 -5.178 -17.636 1.00 0.00 O ATOM 0 H GLU A 39 12.953 -7.936 -18.893 1.00 0.00 H new ATOM 0 HA GLU A 39 10.207 -9.140 -18.795 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.066 -6.318 -19.497 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.669 -7.022 -20.287 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.666 -7.546 -18.041 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.061 -6.835 -17.254 1.00 0.00 H new ATOM 493 N GLU A 40 10.516 -9.906 -21.174 1.00 0.00 N ATOM 494 CA GLU A 40 10.824 -10.449 -22.524 1.00 0.00 C ATOM 495 C GLU A 40 9.773 -9.959 -23.518 1.00 0.00 C ATOM 496 O GLU A 40 8.588 -9.989 -23.249 1.00 0.00 O ATOM 497 CB GLU A 40 10.810 -11.979 -22.476 1.00 0.00 C ATOM 498 CG GLU A 40 10.804 -12.535 -23.901 1.00 0.00 C ATOM 499 CD GLU A 40 9.422 -13.110 -24.219 1.00 0.00 C ATOM 500 OE1 GLU A 40 8.743 -13.515 -23.291 1.00 0.00 O ATOM 501 OE2 GLU A 40 9.068 -13.135 -25.387 1.00 0.00 O ATOM 0 H GLU A 40 9.692 -10.303 -20.722 1.00 0.00 H new ATOM 0 HA GLU A 40 11.810 -10.107 -22.838 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.683 -12.344 -21.936 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.931 -12.328 -21.934 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.054 -11.747 -24.611 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.564 -13.309 -24.004 1.00 0.00 H new ATOM 508 N HIS A 41 10.194 -9.513 -24.667 1.00 0.00 N ATOM 509 CA HIS A 41 9.220 -9.027 -25.681 1.00 0.00 C ATOM 510 C HIS A 41 9.361 -9.872 -26.946 1.00 0.00 C ATOM 511 O HIS A 41 9.236 -9.383 -28.051 1.00 0.00 O ATOM 512 CB HIS A 41 9.517 -7.565 -26.011 1.00 0.00 C ATOM 513 CG HIS A 41 9.217 -6.707 -24.812 1.00 0.00 C ATOM 514 ND1 HIS A 41 8.271 -5.695 -24.846 1.00 0.00 N ATOM 515 CD2 HIS A 41 9.730 -6.700 -23.539 1.00 0.00 C ATOM 516 CE1 HIS A 41 8.245 -5.124 -23.628 1.00 0.00 C ATOM 517 NE2 HIS A 41 9.115 -5.699 -22.792 1.00 0.00 N ATOM 0 H HIS A 41 11.173 -9.464 -24.948 1.00 0.00 H new ATOM 0 HA HIS A 41 8.206 -9.110 -25.291 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.562 -7.452 -26.300 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.915 -7.244 -26.861 1.00 0.00 H new ATOM 0 HD2 HIS A 41 10.494 -7.369 -23.173 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.600 -4.301 -23.359 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.291 -5.457 -21.817 1.00 0.00 H new ATOM 525 N GLY A 42 9.628 -11.139 -26.791 1.00 0.00 N ATOM 526 CA GLY A 42 9.787 -12.018 -27.980 1.00 0.00 C ATOM 527 C GLY A 42 11.264 -12.073 -28.371 1.00 0.00 C ATOM 528 O GLY A 42 12.069 -12.705 -27.717 1.00 0.00 O ATOM 0 H GLY A 42 9.743 -11.603 -25.890 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.420 -13.020 -27.758 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.193 -11.637 -28.811 1.00 0.00 H new ATOM 532 N GLU A 43 11.626 -11.419 -29.441 1.00 0.00 N ATOM 533 CA GLU A 43 13.050 -11.439 -29.881 1.00 0.00 C ATOM 534 C GLU A 43 13.837 -10.333 -29.170 1.00 0.00 C ATOM 535 O GLU A 43 15.045 -10.261 -29.275 1.00 0.00 O ATOM 536 CB GLU A 43 13.116 -11.213 -31.392 1.00 0.00 C ATOM 537 CG GLU A 43 12.423 -12.371 -32.113 1.00 0.00 C ATOM 538 CD GLU A 43 11.199 -11.844 -32.865 1.00 0.00 C ATOM 539 OE1 GLU A 43 10.684 -10.812 -32.468 1.00 0.00 O ATOM 540 OE2 GLU A 43 10.798 -12.483 -33.825 1.00 0.00 O ATOM 0 H GLU A 43 10.997 -10.872 -30.029 1.00 0.00 H new ATOM 0 HA GLU A 43 13.486 -12.406 -29.630 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.635 -10.270 -31.651 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.155 -11.140 -31.714 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.114 -12.846 -32.809 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.121 -13.133 -31.394 1.00 0.00 H new ATOM 547 N TRP A 44 13.172 -9.464 -28.455 1.00 0.00 N ATOM 548 CA TRP A 44 13.909 -8.369 -27.760 1.00 0.00 C ATOM 549 C TRP A 44 13.456 -8.264 -26.300 1.00 0.00 C ATOM 550 O TRP A 44 12.285 -8.355 -25.993 1.00 0.00 O ATOM 551 CB TRP A 44 13.636 -7.043 -28.472 1.00 0.00 C ATOM 552 CG TRP A 44 14.623 -6.862 -29.581 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.582 -7.504 -30.771 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.794 -5.995 -29.624 1.00 0.00 C ATOM 555 NE1 TRP A 44 15.652 -7.087 -31.542 1.00 0.00 N ATOM 556 CE2 TRP A 44 16.428 -6.157 -30.879 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.362 -5.094 -28.706 1.00 0.00 C ATOM 558 CZ2 TRP A 44 17.585 -5.450 -31.210 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.525 -4.380 -29.035 1.00 0.00 C ATOM 560 CH2 TRP A 44 18.136 -4.558 -30.285 1.00 0.00 C ATOM 0 H TRP A 44 12.161 -9.464 -28.323 1.00 0.00 H new ATOM 0 HA TRP A 44 14.976 -8.591 -27.784 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.621 -7.033 -28.869 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.710 -6.216 -27.766 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.835 -8.225 -31.070 1.00 0.00 H new ATOM 0 HE1 TRP A 44 15.844 -7.425 -32.485 1.00 0.00 H new ATOM 0 HE3 TRP A 44 15.900 -4.950 -27.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 18.051 -5.591 -32.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 17.952 -3.690 -28.322 1.00 0.00 H new ATOM 0 HH2 TRP A 44 19.031 -4.007 -30.533 1.00 0.00 H new ATOM 571 N TRP A 45 14.380 -8.059 -25.401 1.00 0.00 N ATOM 572 CA TRP A 45 14.006 -7.930 -23.960 1.00 0.00 C ATOM 573 C TRP A 45 14.773 -6.762 -23.341 1.00 0.00 C ATOM 574 O TRP A 45 15.722 -6.260 -23.909 1.00 0.00 O ATOM 575 CB TRP A 45 14.355 -9.212 -23.195 1.00 0.00 C ATOM 576 CG TRP A 45 14.546 -10.353 -24.142 1.00 0.00 C ATOM 577 CD1 TRP A 45 13.675 -10.723 -25.107 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.664 -11.283 -24.218 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.191 -11.819 -25.776 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.416 -12.201 -25.264 1.00 0.00 C ATOM 581 CE3 TRP A 45 16.859 -11.413 -23.488 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.323 -13.215 -25.576 1.00 0.00 C ATOM 583 CZ3 TRP A 45 17.774 -12.432 -23.799 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.507 -13.329 -24.841 1.00 0.00 C ATOM 0 H TRP A 45 15.377 -7.975 -25.600 1.00 0.00 H new ATOM 0 HA TRP A 45 12.932 -7.757 -23.894 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.264 -9.059 -22.613 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.560 -9.448 -22.488 1.00 0.00 H new ATOM 0 HD1 TRP A 45 12.732 -10.242 -25.321 1.00 0.00 H new ATOM 0 HE1 TRP A 45 13.724 -12.288 -26.552 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.074 -10.725 -22.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.112 -13.906 -26.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 18.688 -12.524 -23.232 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.216 -14.109 -25.077 1.00 0.00 H new ATOM 595 N LYS A 46 14.386 -6.344 -22.171 1.00 0.00 N ATOM 596 CA LYS A 46 15.109 -5.228 -21.502 1.00 0.00 C ATOM 597 C LYS A 46 15.884 -5.804 -20.319 1.00 0.00 C ATOM 598 O LYS A 46 15.314 -6.358 -19.399 1.00 0.00 O ATOM 599 CB LYS A 46 14.112 -4.179 -21.013 1.00 0.00 C ATOM 600 CG LYS A 46 14.754 -2.792 -21.079 1.00 0.00 C ATOM 601 CD LYS A 46 13.782 -1.753 -20.516 1.00 0.00 C ATOM 602 CE LYS A 46 13.640 -1.953 -19.006 1.00 0.00 C ATOM 603 NZ LYS A 46 12.202 -2.140 -18.662 1.00 0.00 N ATOM 0 H LYS A 46 13.599 -6.727 -21.647 1.00 0.00 H new ATOM 0 HA LYS A 46 15.794 -4.750 -22.203 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.212 -4.204 -21.627 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.807 -4.401 -19.991 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.683 -2.782 -20.510 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.009 -2.546 -22.110 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.145 -0.747 -20.728 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.810 -1.849 -20.999 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.217 -2.821 -18.688 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.043 -1.091 -18.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.105 -2.276 -17.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.663 -1.299 -18.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.832 -2.976 -19.158 1.00 0.00 H new ATOM 617 N ALA A 47 17.182 -5.701 -20.349 1.00 0.00 N ATOM 618 CA ALA A 47 17.997 -6.267 -19.240 1.00 0.00 C ATOM 619 C ALA A 47 18.696 -5.154 -18.462 1.00 0.00 C ATOM 620 O ALA A 47 18.470 -3.981 -18.685 1.00 0.00 O ATOM 621 CB ALA A 47 19.051 -7.211 -19.822 1.00 0.00 C ATOM 0 H ALA A 47 17.714 -5.250 -21.093 1.00 0.00 H new ATOM 0 HA ALA A 47 17.338 -6.809 -18.562 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.651 -7.629 -19.014 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.557 -8.019 -20.362 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.696 -6.659 -20.505 1.00 0.00 H new ATOM 627 N LYS A 48 19.552 -5.525 -17.550 1.00 0.00 N ATOM 628 CA LYS A 48 20.286 -4.510 -16.745 1.00 0.00 C ATOM 629 C LYS A 48 21.735 -4.969 -16.566 1.00 0.00 C ATOM 630 O LYS A 48 22.016 -6.149 -16.502 1.00 0.00 O ATOM 631 CB LYS A 48 19.621 -4.364 -15.375 1.00 0.00 C ATOM 632 CG LYS A 48 20.279 -3.214 -14.611 1.00 0.00 C ATOM 633 CD LYS A 48 20.071 -3.416 -13.109 1.00 0.00 C ATOM 634 CE LYS A 48 18.993 -2.451 -12.609 1.00 0.00 C ATOM 635 NZ LYS A 48 19.452 -1.803 -11.348 1.00 0.00 N ATOM 0 H LYS A 48 19.775 -6.495 -17.327 1.00 0.00 H new ATOM 0 HA LYS A 48 20.265 -3.548 -17.257 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.555 -4.173 -15.495 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.717 -5.292 -14.811 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.344 -3.174 -14.839 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.850 -2.262 -14.924 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.775 -4.445 -12.907 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.005 -3.243 -12.575 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.788 -1.694 -13.366 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.061 -2.989 -12.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.626 -1.501 -10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.013 -2.481 -10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.037 -0.974 -11.577 1.00 0.00 H new ATOM 649 N SER A 49 22.658 -4.052 -16.498 1.00 0.00 N ATOM 650 CA SER A 49 24.087 -4.449 -16.336 1.00 0.00 C ATOM 651 C SER A 49 24.427 -4.580 -14.848 1.00 0.00 C ATOM 652 O SER A 49 24.148 -3.701 -14.061 1.00 0.00 O ATOM 653 CB SER A 49 24.986 -3.386 -16.970 1.00 0.00 C ATOM 654 OG SER A 49 26.346 -3.694 -16.702 1.00 0.00 O ATOM 0 H SER A 49 22.488 -3.048 -16.547 1.00 0.00 H new ATOM 0 HA SER A 49 24.249 -5.408 -16.827 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.816 -3.346 -18.046 1.00 0.00 H new ATOM 0 HB3 SER A 49 24.740 -2.402 -16.572 1.00 0.00 H new ATOM 0 HG SER A 49 26.886 -3.510 -17.499 1.00 0.00 H new ATOM 660 N LEU A 50 25.014 -5.675 -14.452 1.00 0.00 N ATOM 661 CA LEU A 50 25.353 -5.852 -13.010 1.00 0.00 C ATOM 662 C LEU A 50 26.462 -4.870 -12.613 1.00 0.00 C ATOM 663 O LEU A 50 26.573 -4.473 -11.469 1.00 0.00 O ATOM 664 CB LEU A 50 25.827 -7.286 -12.767 1.00 0.00 C ATOM 665 CG LEU A 50 24.979 -7.924 -11.665 1.00 0.00 C ATOM 666 CD1 LEU A 50 24.466 -9.284 -12.141 1.00 0.00 C ATOM 667 CD2 LEU A 50 25.832 -8.112 -10.409 1.00 0.00 C ATOM 0 H LEU A 50 25.273 -6.452 -15.060 1.00 0.00 H new ATOM 0 HA LEU A 50 24.467 -5.656 -12.406 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.746 -7.868 -13.685 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.878 -7.289 -12.479 1.00 0.00 H new ATOM 0 HG LEU A 50 24.133 -7.276 -11.436 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.862 -9.740 -11.357 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.858 -9.151 -13.036 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.312 -9.932 -12.370 1.00 0.00 H new ATOM 0 HD21 LEU A 50 25.228 -8.567 -9.624 1.00 0.00 H new ATOM 0 HD22 LEU A 50 26.678 -8.760 -10.637 1.00 0.00 H new ATOM 0 HD23 LEU A 50 26.199 -7.143 -10.070 1.00 0.00 H new ATOM 679 N LEU A 51 27.287 -4.480 -13.547 1.00 0.00 N ATOM 680 CA LEU A 51 28.395 -3.530 -13.230 1.00 0.00 C ATOM 681 C LEU A 51 27.878 -2.090 -13.278 1.00 0.00 C ATOM 682 O LEU A 51 28.208 -1.272 -12.441 1.00 0.00 O ATOM 683 CB LEU A 51 29.514 -3.699 -14.258 1.00 0.00 C ATOM 684 CG LEU A 51 30.748 -2.917 -13.803 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.542 -3.755 -12.799 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.629 -2.602 -15.014 1.00 0.00 C ATOM 0 H LEU A 51 27.242 -4.779 -14.521 1.00 0.00 H new ATOM 0 HA LEU A 51 28.774 -3.742 -12.230 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.761 -4.754 -14.372 1.00 0.00 H new ATOM 0 HB3 LEU A 51 29.183 -3.342 -15.233 1.00 0.00 H new ATOM 0 HG LEU A 51 30.433 -1.986 -13.331 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.421 -3.198 -12.475 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.915 -3.979 -11.936 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.856 -4.686 -13.270 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.508 -2.045 -14.689 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.943 -3.532 -15.487 1.00 0.00 H new ATOM 0 HD23 LEU A 51 31.064 -2.004 -15.729 1.00 0.00 H new ATOM 698 N THR A 52 27.071 -1.777 -14.249 1.00 0.00 N ATOM 699 CA THR A 52 26.524 -0.394 -14.363 1.00 0.00 C ATOM 700 C THR A 52 25.112 -0.358 -13.781 1.00 0.00 C ATOM 701 O THR A 52 24.585 0.690 -13.464 1.00 0.00 O ATOM 702 CB THR A 52 26.468 0.006 -15.840 1.00 0.00 C ATOM 703 OG1 THR A 52 25.222 -0.396 -16.392 1.00 0.00 O ATOM 704 CG2 THR A 52 27.608 -0.673 -16.601 1.00 0.00 C ATOM 0 H THR A 52 26.763 -2.423 -14.976 1.00 0.00 H new ATOM 0 HA THR A 52 27.164 0.298 -13.816 1.00 0.00 H new ATOM 0 HB THR A 52 26.572 1.088 -15.926 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.335 -0.593 -17.345 1.00 0.00 H new ATOM 0 HG21 THR A 52 27.565 -0.386 -17.652 1.00 0.00 H new ATOM 0 HG22 THR A 52 28.563 -0.362 -16.178 1.00 0.00 H new ATOM 0 HG23 THR A 52 27.509 -1.755 -16.516 1.00 0.00 H new ATOM 712 N LYS A 53 24.493 -1.495 -13.645 1.00 0.00 N ATOM 713 CA LYS A 53 23.111 -1.535 -13.093 1.00 0.00 C ATOM 714 C LYS A 53 22.181 -0.730 -13.999 1.00 0.00 C ATOM 715 O LYS A 53 21.042 -0.471 -13.664 1.00 0.00 O ATOM 716 CB LYS A 53 23.098 -0.948 -11.680 1.00 0.00 C ATOM 717 CG LYS A 53 24.263 -1.530 -10.877 1.00 0.00 C ATOM 718 CD LYS A 53 24.773 -0.481 -9.886 1.00 0.00 C ATOM 719 CE LYS A 53 25.769 -1.134 -8.924 1.00 0.00 C ATOM 720 NZ LYS A 53 26.830 -0.150 -8.567 1.00 0.00 N ATOM 0 H LYS A 53 24.886 -2.403 -13.893 1.00 0.00 H new ATOM 0 HA LYS A 53 22.768 -2.569 -13.048 1.00 0.00 H new ATOM 0 HB2 LYS A 53 23.179 0.138 -11.725 1.00 0.00 H new ATOM 0 HB3 LYS A 53 22.153 -1.177 -11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 53 23.940 -2.424 -10.343 1.00 0.00 H new ATOM 0 HG3 LYS A 53 25.066 -1.833 -11.549 1.00 0.00 H new ATOM 0 HD2 LYS A 53 25.252 0.339 -10.421 1.00 0.00 H new ATOM 0 HD3 LYS A 53 23.939 -0.054 -9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 53 25.254 -1.473 -8.025 1.00 0.00 H new ATOM 0 HE3 LYS A 53 26.215 -2.014 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 27.508 -0.592 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 27.327 0.152 -9.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 26.397 0.677 -8.109 1.00 0.00 H new ATOM 734 N LYS A 54 22.646 -0.356 -15.158 1.00 0.00 N ATOM 735 CA LYS A 54 21.776 0.402 -16.093 1.00 0.00 C ATOM 736 C LYS A 54 20.866 -0.598 -16.802 1.00 0.00 C ATOM 737 O LYS A 54 21.224 -1.743 -16.988 1.00 0.00 O ATOM 738 CB LYS A 54 22.638 1.137 -17.122 1.00 0.00 C ATOM 739 CG LYS A 54 22.889 2.570 -16.648 1.00 0.00 C ATOM 740 CD LYS A 54 24.272 2.657 -15.998 1.00 0.00 C ATOM 741 CE LYS A 54 24.448 4.036 -15.358 1.00 0.00 C ATOM 742 NZ LYS A 54 23.656 4.103 -14.099 1.00 0.00 N ATOM 0 H LYS A 54 23.590 -0.543 -15.496 1.00 0.00 H new ATOM 0 HA LYS A 54 21.183 1.137 -15.549 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.586 0.616 -17.257 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.139 1.145 -18.091 1.00 0.00 H new ATOM 0 HG2 LYS A 54 22.827 3.259 -17.490 1.00 0.00 H new ATOM 0 HG3 LYS A 54 22.121 2.868 -15.935 1.00 0.00 H new ATOM 0 HD2 LYS A 54 24.381 1.878 -15.244 1.00 0.00 H new ATOM 0 HD3 LYS A 54 25.048 2.489 -16.745 1.00 0.00 H new ATOM 0 HE2 LYS A 54 25.502 4.219 -15.148 1.00 0.00 H new ATOM 0 HE3 LYS A 54 24.121 4.814 -16.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 23.988 4.902 -13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 22.650 4.235 -14.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 23.776 3.218 -13.566 1.00 0.00 H new ATOM 756 N GLU A 55 19.693 -0.192 -17.195 1.00 0.00 N ATOM 757 CA GLU A 55 18.784 -1.149 -17.881 1.00 0.00 C ATOM 758 C GLU A 55 18.445 -0.627 -19.277 1.00 0.00 C ATOM 759 O GLU A 55 18.291 0.561 -19.486 1.00 0.00 O ATOM 760 CB GLU A 55 17.499 -1.304 -17.067 1.00 0.00 C ATOM 761 CG GLU A 55 16.777 0.044 -16.994 1.00 0.00 C ATOM 762 CD GLU A 55 15.994 0.131 -15.682 1.00 0.00 C ATOM 763 OE1 GLU A 55 15.935 -0.866 -14.982 1.00 0.00 O ATOM 764 OE2 GLU A 55 15.465 1.194 -15.400 1.00 0.00 O ATOM 0 H GLU A 55 19.327 0.752 -17.073 1.00 0.00 H new ATOM 0 HA GLU A 55 19.278 -2.117 -17.969 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.852 -2.051 -17.527 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.732 -1.659 -16.063 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.498 0.859 -17.055 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.101 0.153 -17.842 1.00 0.00 H new ATOM 771 N GLY A 56 18.326 -1.504 -20.235 1.00 0.00 N ATOM 772 CA GLY A 56 17.995 -1.056 -21.615 1.00 0.00 C ATOM 773 C GLY A 56 17.602 -2.264 -22.461 1.00 0.00 C ATOM 774 O GLY A 56 17.822 -3.399 -22.088 1.00 0.00 O ATOM 0 H GLY A 56 18.444 -2.511 -20.121 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.178 -0.335 -21.589 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.852 -0.550 -22.060 1.00 0.00 H new ATOM 778 N PHE A 57 17.012 -2.025 -23.595 1.00 0.00 N ATOM 779 CA PHE A 57 16.588 -3.154 -24.468 1.00 0.00 C ATOM 780 C PHE A 57 17.815 -3.876 -25.027 1.00 0.00 C ATOM 781 O PHE A 57 18.755 -3.265 -25.496 1.00 0.00 O ATOM 782 CB PHE A 57 15.745 -2.613 -25.625 1.00 0.00 C ATOM 783 CG PHE A 57 14.279 -2.741 -25.281 1.00 0.00 C ATOM 784 CD1 PHE A 57 13.768 -3.969 -24.845 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.433 -1.632 -25.402 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.409 -4.087 -24.527 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.075 -1.751 -25.084 1.00 0.00 C ATOM 788 CZ PHE A 57 11.563 -2.978 -24.647 1.00 0.00 C ATOM 0 H PHE A 57 16.804 -1.095 -23.958 1.00 0.00 H new ATOM 0 HA PHE A 57 15.999 -3.857 -23.880 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.995 -1.569 -25.815 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.965 -3.165 -26.539 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.421 -4.825 -24.754 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.828 -0.685 -25.740 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.014 -5.034 -24.189 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.422 -0.896 -25.176 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.515 -3.069 -24.402 1.00 0.00 H new ATOM 798 N ILE A 58 17.798 -5.180 -24.993 1.00 0.00 N ATOM 799 CA ILE A 58 18.943 -5.970 -25.529 1.00 0.00 C ATOM 800 C ILE A 58 18.401 -6.961 -26.561 1.00 0.00 C ATOM 801 O ILE A 58 17.341 -7.525 -26.381 1.00 0.00 O ATOM 802 CB ILE A 58 19.611 -6.741 -24.388 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.539 -7.383 -23.507 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.453 -5.779 -23.547 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.167 -8.505 -22.679 1.00 0.00 C ATOM 0 H ILE A 58 17.033 -5.737 -24.613 1.00 0.00 H new ATOM 0 HA ILE A 58 19.675 -5.306 -25.989 1.00 0.00 H new ATOM 0 HB ILE A 58 20.252 -7.519 -24.803 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.097 -6.635 -22.849 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.734 -7.779 -24.126 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.929 -6.327 -22.734 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.219 -5.322 -24.174 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.812 -5.001 -23.133 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.404 -8.964 -22.050 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.588 -9.257 -23.346 1.00 0.00 H new ATOM 0 HD13 ILE A 58 19.957 -8.095 -22.050 1.00 0.00 H new ATOM 817 N PRO A 59 19.127 -7.176 -27.668 1.00 0.00 N ATOM 818 CA PRO A 59 18.680 -8.099 -28.711 1.00 0.00 C ATOM 819 C PRO A 59 18.853 -9.556 -28.268 1.00 0.00 C ATOM 820 O PRO A 59 19.654 -9.849 -27.402 1.00 0.00 O ATOM 821 CB PRO A 59 19.601 -7.786 -29.887 1.00 0.00 C ATOM 822 CG PRO A 59 20.836 -7.217 -29.267 1.00 0.00 C ATOM 823 CD PRO A 59 20.420 -6.547 -27.984 1.00 0.00 C ATOM 0 HA PRO A 59 17.623 -7.981 -28.950 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.826 -8.684 -30.463 1.00 0.00 H new ATOM 0 HB3 PRO A 59 19.139 -7.075 -30.572 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.566 -8.003 -29.072 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.310 -6.501 -29.939 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.150 -6.711 -27.191 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.321 -5.469 -28.109 1.00 0.00 H new ATOM 831 N SER A 60 18.122 -10.473 -28.836 1.00 0.00 N ATOM 832 CA SER A 60 18.277 -11.892 -28.410 1.00 0.00 C ATOM 833 C SER A 60 19.355 -12.573 -29.256 1.00 0.00 C ATOM 834 O SER A 60 19.330 -13.770 -29.462 1.00 0.00 O ATOM 835 CB SER A 60 16.949 -12.628 -28.572 1.00 0.00 C ATOM 836 OG SER A 60 17.090 -13.966 -28.119 1.00 0.00 O ATOM 0 H SER A 60 17.432 -10.306 -29.568 1.00 0.00 H new ATOM 0 HA SER A 60 18.576 -11.920 -27.362 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.169 -12.121 -28.004 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.641 -12.617 -29.617 1.00 0.00 H new ATOM 0 HG SER A 60 17.449 -13.967 -27.207 1.00 0.00 H new ATOM 842 N ASN A 61 20.304 -11.824 -29.744 1.00 0.00 N ATOM 843 CA ASN A 61 21.384 -12.436 -30.569 1.00 0.00 C ATOM 844 C ASN A 61 22.730 -11.785 -30.230 1.00 0.00 C ATOM 845 O ASN A 61 23.756 -12.151 -30.769 1.00 0.00 O ATOM 846 CB ASN A 61 21.074 -12.225 -32.053 1.00 0.00 C ATOM 847 CG ASN A 61 22.214 -12.796 -32.898 1.00 0.00 C ATOM 848 OD1 ASN A 61 23.026 -12.058 -33.421 1.00 0.00 O ATOM 849 ND2 ASN A 61 22.309 -14.088 -33.056 1.00 0.00 N ATOM 0 H ASN A 61 20.379 -10.816 -29.608 1.00 0.00 H new ATOM 0 HA ASN A 61 21.438 -13.503 -30.355 1.00 0.00 H new ATOM 0 HB2 ASN A 61 20.135 -12.714 -32.312 1.00 0.00 H new ATOM 0 HB3 ASN A 61 20.949 -11.163 -32.262 1.00 0.00 H new ATOM 0 HD21 ASN A 61 23.065 -14.479 -33.618 1.00 0.00 H new ATOM 0 HD22 ASN A 61 21.627 -14.707 -32.617 1.00 0.00 H new ATOM 856 N TYR A 62 22.737 -10.820 -29.350 1.00 0.00 N ATOM 857 CA TYR A 62 24.021 -10.151 -28.996 1.00 0.00 C ATOM 858 C TYR A 62 24.537 -10.671 -27.654 1.00 0.00 C ATOM 859 O TYR A 62 25.723 -10.640 -27.389 1.00 0.00 O ATOM 860 CB TYR A 62 23.807 -8.641 -28.902 1.00 0.00 C ATOM 861 CG TYR A 62 23.628 -8.069 -30.288 1.00 0.00 C ATOM 862 CD1 TYR A 62 22.553 -8.483 -31.084 1.00 0.00 C ATOM 863 CD2 TYR A 62 24.540 -7.126 -30.778 1.00 0.00 C ATOM 864 CE1 TYR A 62 22.389 -7.953 -32.370 1.00 0.00 C ATOM 865 CE2 TYR A 62 24.376 -6.596 -32.064 1.00 0.00 C ATOM 866 CZ TYR A 62 23.300 -7.009 -32.860 1.00 0.00 C ATOM 867 OH TYR A 62 23.139 -6.487 -34.126 1.00 0.00 O ATOM 0 H TYR A 62 21.913 -10.468 -28.863 1.00 0.00 H new ATOM 0 HA TYR A 62 24.755 -10.371 -29.771 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.930 -8.425 -28.292 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.660 -8.172 -28.411 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.850 -9.211 -30.706 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.370 -6.807 -30.164 1.00 0.00 H new ATOM 0 HE1 TYR A 62 21.560 -8.272 -32.984 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.079 -5.869 -32.442 1.00 0.00 H new ATOM 0 HH TYR A 62 23.857 -5.845 -34.309 1.00 0.00 H new ATOM 877 N VAL A 63 23.672 -11.144 -26.797 1.00 0.00 N ATOM 878 CA VAL A 63 24.160 -11.650 -25.481 1.00 0.00 C ATOM 879 C VAL A 63 24.047 -13.176 -25.433 1.00 0.00 C ATOM 880 O VAL A 63 23.486 -13.796 -26.315 1.00 0.00 O ATOM 881 CB VAL A 63 23.335 -11.035 -24.348 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.319 -9.513 -24.497 1.00 0.00 C ATOM 883 CG2 VAL A 63 21.901 -11.569 -24.410 1.00 0.00 C ATOM 0 H VAL A 63 22.665 -11.202 -26.947 1.00 0.00 H new ATOM 0 HA VAL A 63 25.205 -11.366 -25.358 1.00 0.00 H new ATOM 0 HB VAL A 63 23.780 -11.302 -23.390 1.00 0.00 H new ATOM 0 HG11 VAL A 63 22.732 -9.075 -23.690 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.339 -9.132 -24.451 1.00 0.00 H new ATOM 0 HG13 VAL A 63 22.875 -9.246 -25.456 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.314 -11.131 -23.603 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.455 -11.303 -25.368 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.912 -12.654 -24.303 1.00 0.00 H new ATOM 893 N ALA A 64 24.583 -13.783 -24.409 1.00 0.00 N ATOM 894 CA ALA A 64 24.515 -15.268 -24.298 1.00 0.00 C ATOM 895 C ALA A 64 23.775 -15.653 -23.017 1.00 0.00 C ATOM 896 O ALA A 64 24.121 -15.219 -21.937 1.00 0.00 O ATOM 897 CB ALA A 64 25.934 -15.838 -24.249 1.00 0.00 C ATOM 0 H ALA A 64 25.066 -13.313 -23.643 1.00 0.00 H new ATOM 0 HA ALA A 64 23.985 -15.671 -25.161 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.887 -16.924 -24.168 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.467 -15.565 -25.159 1.00 0.00 H new ATOM 0 HB3 ALA A 64 26.460 -15.432 -23.385 1.00 0.00 H new ATOM 903 N LYS A 65 22.763 -16.469 -23.123 1.00 0.00 N ATOM 904 CA LYS A 65 22.012 -16.879 -21.904 1.00 0.00 C ATOM 905 C LYS A 65 22.614 -18.172 -21.350 1.00 0.00 C ATOM 906 O LYS A 65 21.921 -19.144 -21.124 1.00 0.00 O ATOM 907 CB LYS A 65 20.543 -17.111 -22.260 1.00 0.00 C ATOM 908 CG LYS A 65 19.699 -17.078 -20.983 1.00 0.00 C ATOM 909 CD LYS A 65 19.209 -18.491 -20.660 1.00 0.00 C ATOM 910 CE LYS A 65 17.712 -18.592 -20.954 1.00 0.00 C ATOM 911 NZ LYS A 65 17.503 -19.390 -22.195 1.00 0.00 N ATOM 0 H LYS A 65 22.425 -16.868 -23.998 1.00 0.00 H new ATOM 0 HA LYS A 65 22.081 -16.092 -21.153 1.00 0.00 H new ATOM 0 HB2 LYS A 65 20.200 -16.345 -22.955 1.00 0.00 H new ATOM 0 HB3 LYS A 65 20.426 -18.072 -22.762 1.00 0.00 H new ATOM 0 HG2 LYS A 65 20.289 -16.688 -20.154 1.00 0.00 H new ATOM 0 HG3 LYS A 65 18.849 -16.408 -21.113 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.757 -19.222 -21.254 1.00 0.00 H new ATOM 0 HD3 LYS A 65 19.401 -18.723 -19.613 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.197 -19.061 -20.116 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.286 -17.596 -21.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.485 -19.459 -22.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.982 -18.924 -22.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.896 -20.344 -22.064 1.00 0.00 H new ATOM 925 N LEU A 66 23.901 -18.193 -21.132 1.00 0.00 N ATOM 926 CA LEU A 66 24.549 -19.423 -20.596 1.00 0.00 C ATOM 927 C LEU A 66 24.460 -20.539 -21.638 1.00 0.00 C ATOM 928 O LEU A 66 23.786 -21.532 -21.442 1.00 0.00 O ATOM 929 CB LEU A 66 23.834 -19.861 -19.316 1.00 0.00 C ATOM 930 CG LEU A 66 24.848 -20.481 -18.353 1.00 0.00 C ATOM 931 CD1 LEU A 66 25.706 -21.503 -19.103 1.00 0.00 C ATOM 932 CD2 LEU A 66 25.747 -19.383 -17.781 1.00 0.00 C ATOM 0 H LEU A 66 24.532 -17.410 -21.302 1.00 0.00 H new ATOM 0 HA LEU A 66 25.596 -19.215 -20.373 1.00 0.00 H new ATOM 0 HB2 LEU A 66 23.347 -19.006 -18.848 1.00 0.00 H new ATOM 0 HB3 LEU A 66 23.052 -20.583 -19.552 1.00 0.00 H new ATOM 0 HG LEU A 66 24.319 -20.978 -17.540 1.00 0.00 H new ATOM 0 HD11 LEU A 66 26.429 -21.945 -18.417 1.00 0.00 H new ATOM 0 HD12 LEU A 66 25.066 -22.286 -19.510 1.00 0.00 H new ATOM 0 HD13 LEU A 66 26.235 -21.007 -19.917 1.00 0.00 H new ATOM 0 HD21 LEU A 66 26.469 -19.825 -17.095 1.00 0.00 H new ATOM 0 HD22 LEU A 66 26.276 -18.886 -18.594 1.00 0.00 H new ATOM 0 HD23 LEU A 66 25.137 -18.655 -17.246 1.00 0.00 H new ATOM 944 N ASN A 67 25.132 -20.386 -22.745 1.00 0.00 N ATOM 945 CA ASN A 67 25.085 -21.438 -23.799 1.00 0.00 C ATOM 946 C ASN A 67 23.632 -21.672 -24.216 1.00 0.00 C ATOM 947 O ASN A 67 22.709 -21.222 -23.566 1.00 0.00 O ATOM 948 CB ASN A 67 25.675 -22.739 -23.250 1.00 0.00 C ATOM 949 CG ASN A 67 26.574 -23.377 -24.310 1.00 0.00 C ATOM 950 OD1 ASN A 67 27.604 -22.836 -24.657 1.00 0.00 O ATOM 951 ND2 ASN A 67 26.224 -24.516 -24.845 1.00 0.00 N ATOM 0 H ASN A 67 25.712 -19.577 -22.966 1.00 0.00 H new ATOM 0 HA ASN A 67 25.665 -21.115 -24.663 1.00 0.00 H new ATOM 0 HB2 ASN A 67 26.248 -22.538 -22.345 1.00 0.00 H new ATOM 0 HB3 ASN A 67 24.875 -23.426 -22.975 1.00 0.00 H new ATOM 0 HD21 ASN A 67 26.816 -24.950 -25.553 1.00 0.00 H new ATOM 0 HD22 ASN A 67 25.359 -24.972 -24.554 1.00 0.00 H new ATOM 958 N THR A 68 23.420 -22.372 -25.297 1.00 0.00 N ATOM 959 CA THR A 68 22.027 -22.633 -25.754 1.00 0.00 C ATOM 960 C THR A 68 21.897 -24.095 -26.186 1.00 0.00 C ATOM 961 O THR A 68 22.921 -24.719 -26.409 1.00 0.00 O ATOM 962 CB THR A 68 21.700 -21.720 -26.939 1.00 0.00 C ATOM 963 OG1 THR A 68 22.012 -20.376 -26.599 1.00 0.00 O ATOM 964 CG2 THR A 68 20.213 -21.831 -27.277 1.00 0.00 C ATOM 965 OXT THR A 68 20.776 -24.565 -26.286 1.00 0.00 O ATOM 0 H THR A 68 24.152 -22.774 -25.883 1.00 0.00 H new ATOM 0 HA THR A 68 21.333 -22.433 -24.938 1.00 0.00 H new ATOM 0 HB THR A 68 22.289 -22.023 -27.804 1.00 0.00 H new ATOM 0 HG1 THR A 68 21.805 -19.790 -27.357 1.00 0.00 H new ATOM 0 HG21 THR A 68 19.982 -21.181 -28.121 1.00 0.00 H new ATOM 0 HG22 THR A 68 19.975 -22.862 -27.538 1.00 0.00 H new ATOM 0 HG23 THR A 68 19.620 -21.530 -26.413 1.00 0.00 H new TER 973 THR A 68