USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=15 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 :FLIP amide:sc= -1.69 F(o=-2.8,f=-1.7) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -17:sc= 0.478 USER MOD Single : A 23 HIS : no HD1:sc= -3.02! C(o=-3!,f=-4.1!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 30 LYS NZ :NH3+ -106:sc= 0.324 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -137:sc= 0.0767 (180deg=0) USER MOD Single : A 35 MET CE :methyl -161:sc= -9.8! (180deg=-12.4!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -4.59 F(o=-6.8,f=-4.6) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 8:sc= 0.793! USER MOD Single : A 53 LYS NZ :NH3+ -141:sc= -0.239 (180deg=-0.908) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -86:sc= 1.14 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -150:sc= 1.17 (180deg=1.08) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 9 11.082 -14.218 -11.426 1.00 0.00 N ATOM 2 CA GLN A 9 11.579 -15.033 -12.570 1.00 0.00 C ATOM 3 C GLN A 9 12.629 -14.236 -13.346 1.00 0.00 C ATOM 4 O GLN A 9 13.358 -13.441 -12.788 1.00 0.00 O ATOM 5 CB GLN A 9 10.411 -15.376 -13.497 1.00 0.00 C ATOM 6 CG GLN A 9 9.915 -14.102 -14.183 1.00 0.00 C ATOM 7 CD GLN A 9 9.987 -14.277 -15.701 1.00 0.00 C ATOM 8 OE1 GLN A 9 10.767 -13.498 -16.399 1.00 0.00 O flip ATOM 9 NE2 GLN A 9 9.326 -15.131 -16.258 1.00 0.00 N flip ATOM 0 HA GLN A 9 12.026 -15.953 -12.194 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.727 -16.105 -14.244 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.602 -15.834 -12.927 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.890 -13.888 -13.879 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.522 -13.251 -13.875 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.716 -15.740 -15.713 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.381 -15.239 -17.271 1.00 0.00 H new ATOM 18 N GLY A 10 12.713 -14.443 -14.632 1.00 0.00 N ATOM 19 CA GLY A 10 13.716 -13.698 -15.443 1.00 0.00 C ATOM 20 C GLY A 10 14.814 -14.659 -15.904 1.00 0.00 C ATOM 21 O GLY A 10 14.734 -15.853 -15.697 1.00 0.00 O ATOM 0 H GLY A 10 12.130 -15.096 -15.156 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.233 -13.239 -16.306 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.149 -12.890 -14.853 1.00 0.00 H new ATOM 25 N ASP A 11 15.839 -14.148 -16.530 1.00 0.00 N ATOM 26 CA ASP A 11 16.940 -15.032 -17.003 1.00 0.00 C ATOM 27 C ASP A 11 18.261 -14.261 -16.977 1.00 0.00 C ATOM 28 O ASP A 11 18.288 -13.054 -17.104 1.00 0.00 O ATOM 29 CB ASP A 11 16.644 -15.490 -18.434 1.00 0.00 C ATOM 30 CG ASP A 11 16.249 -16.969 -18.424 1.00 0.00 C ATOM 31 OD1 ASP A 11 16.986 -17.755 -17.850 1.00 0.00 O ATOM 32 OD2 ASP A 11 15.219 -17.290 -18.991 1.00 0.00 O ATOM 0 H ASP A 11 15.961 -13.156 -16.734 1.00 0.00 H new ATOM 0 HA ASP A 11 17.015 -15.901 -16.350 1.00 0.00 H new ATOM 0 HB2 ASP A 11 15.840 -14.890 -18.860 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.521 -15.341 -19.064 1.00 0.00 H new ATOM 37 N ILE A 12 19.358 -14.951 -16.814 1.00 0.00 N ATOM 38 CA ILE A 12 20.676 -14.256 -16.781 1.00 0.00 C ATOM 39 C ILE A 12 21.427 -14.531 -18.085 1.00 0.00 C ATOM 40 O ILE A 12 21.520 -15.656 -18.534 1.00 0.00 O ATOM 41 CB ILE A 12 21.497 -14.772 -15.598 1.00 0.00 C ATOM 42 CG1 ILE A 12 20.646 -14.730 -14.327 1.00 0.00 C ATOM 43 CG2 ILE A 12 22.734 -13.891 -15.412 1.00 0.00 C ATOM 44 CD1 ILE A 12 20.412 -13.273 -13.918 1.00 0.00 C ATOM 0 H ILE A 12 19.398 -15.964 -16.703 1.00 0.00 H new ATOM 0 HA ILE A 12 20.520 -13.183 -16.671 1.00 0.00 H new ATOM 0 HB ILE A 12 21.807 -15.798 -15.793 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.692 -15.229 -14.499 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.147 -15.269 -13.523 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.319 -14.259 -14.569 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.342 -13.922 -16.316 1.00 0.00 H new ATOM 0 HG23 ILE A 12 22.424 -12.864 -15.218 1.00 0.00 H new ATOM 0 HD11 ILE A 12 19.806 -13.242 -13.013 1.00 0.00 H new ATOM 0 HD12 ILE A 12 21.371 -12.790 -13.730 1.00 0.00 H new ATOM 0 HD13 ILE A 12 19.893 -12.749 -14.720 1.00 0.00 H new ATOM 56 N VAL A 13 21.956 -13.510 -18.701 1.00 0.00 N ATOM 57 CA VAL A 13 22.690 -13.705 -19.981 1.00 0.00 C ATOM 58 C VAL A 13 24.027 -12.971 -19.912 1.00 0.00 C ATOM 59 O VAL A 13 24.190 -12.034 -19.156 1.00 0.00 O ATOM 60 CB VAL A 13 21.861 -13.121 -21.128 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.878 -14.178 -21.638 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.083 -11.902 -20.627 1.00 0.00 C ATOM 0 H VAL A 13 21.911 -12.546 -18.371 1.00 0.00 H new ATOM 0 HA VAL A 13 22.860 -14.769 -20.148 1.00 0.00 H new ATOM 0 HB VAL A 13 22.525 -12.821 -21.939 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.288 -13.762 -22.455 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.431 -15.047 -21.996 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.214 -14.479 -20.827 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.493 -11.486 -21.444 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.420 -12.202 -19.816 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.782 -11.148 -20.264 1.00 0.00 H new ATOM 72 N VAL A 14 24.982 -13.371 -20.703 1.00 0.00 N ATOM 73 CA VAL A 14 26.290 -12.667 -20.678 1.00 0.00 C ATOM 74 C VAL A 14 26.488 -11.962 -22.018 1.00 0.00 C ATOM 75 O VAL A 14 26.245 -12.524 -23.068 1.00 0.00 O ATOM 76 CB VAL A 14 27.425 -13.664 -20.435 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.370 -14.770 -21.491 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.769 -12.939 -20.526 1.00 0.00 C ATOM 0 H VAL A 14 24.914 -14.148 -21.360 1.00 0.00 H new ATOM 0 HA VAL A 14 26.300 -11.937 -19.869 1.00 0.00 H new ATOM 0 HB VAL A 14 27.315 -14.103 -19.444 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.179 -15.480 -21.317 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.413 -15.288 -21.426 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.479 -14.332 -22.483 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.578 -13.649 -20.353 1.00 0.00 H new ATOM 0 HG22 VAL A 14 28.879 -12.499 -21.517 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.810 -12.152 -19.773 1.00 0.00 H new ATOM 88 N ALA A 15 26.917 -10.733 -21.990 1.00 0.00 N ATOM 89 CA ALA A 15 27.119 -9.986 -23.258 1.00 0.00 C ATOM 90 C ALA A 15 28.076 -10.759 -24.164 1.00 0.00 C ATOM 91 O ALA A 15 29.238 -10.935 -23.854 1.00 0.00 O ATOM 92 CB ALA A 15 27.710 -8.608 -22.951 1.00 0.00 C ATOM 0 H ALA A 15 27.137 -10.213 -21.141 1.00 0.00 H new ATOM 0 HA ALA A 15 26.160 -9.867 -23.763 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.858 -8.060 -23.882 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.026 -8.054 -22.308 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.667 -8.727 -22.444 1.00 0.00 H new ATOM 98 N LEU A 16 27.601 -11.203 -25.293 1.00 0.00 N ATOM 99 CA LEU A 16 28.488 -11.940 -26.231 1.00 0.00 C ATOM 100 C LEU A 16 29.153 -10.917 -27.146 1.00 0.00 C ATOM 101 O LEU A 16 30.248 -11.113 -27.634 1.00 0.00 O ATOM 102 CB LEU A 16 27.660 -12.920 -27.065 1.00 0.00 C ATOM 103 CG LEU A 16 27.479 -14.225 -26.287 1.00 0.00 C ATOM 104 CD1 LEU A 16 26.225 -14.946 -26.785 1.00 0.00 C ATOM 105 CD2 LEU A 16 28.701 -15.121 -26.502 1.00 0.00 C ATOM 0 H LEU A 16 26.637 -11.087 -25.606 1.00 0.00 H new ATOM 0 HA LEU A 16 29.240 -12.504 -25.680 1.00 0.00 H new ATOM 0 HB2 LEU A 16 26.688 -12.485 -27.298 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.157 -13.116 -28.015 1.00 0.00 H new ATOM 0 HG LEU A 16 27.373 -14.003 -25.225 1.00 0.00 H new ATOM 0 HD11 LEU A 16 26.096 -15.876 -26.231 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.354 -14.309 -26.632 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.331 -15.168 -27.847 1.00 0.00 H new ATOM 0 HD21 LEU A 16 28.572 -16.051 -25.948 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.807 -15.343 -27.564 1.00 0.00 H new ATOM 0 HD23 LEU A 16 29.595 -14.608 -26.148 1.00 0.00 H new ATOM 117 N TYR A 17 28.490 -9.816 -27.369 1.00 0.00 N ATOM 118 CA TYR A 17 29.059 -8.753 -28.237 1.00 0.00 C ATOM 119 C TYR A 17 28.816 -7.392 -27.582 1.00 0.00 C ATOM 120 O TYR A 17 27.768 -7.147 -27.018 1.00 0.00 O ATOM 121 CB TYR A 17 28.366 -8.788 -29.602 1.00 0.00 C ATOM 122 CG TYR A 17 29.108 -9.728 -30.520 1.00 0.00 C ATOM 123 CD1 TYR A 17 28.986 -11.112 -30.352 1.00 0.00 C ATOM 124 CD2 TYR A 17 29.916 -9.215 -31.542 1.00 0.00 C ATOM 125 CE1 TYR A 17 29.674 -11.984 -31.204 1.00 0.00 C ATOM 126 CE2 TYR A 17 30.605 -10.087 -32.394 1.00 0.00 C ATOM 127 CZ TYR A 17 30.484 -11.472 -32.224 1.00 0.00 C ATOM 128 OH TYR A 17 31.162 -12.331 -33.065 1.00 0.00 O ATOM 0 H TYR A 17 27.570 -9.608 -26.982 1.00 0.00 H new ATOM 0 HA TYR A 17 30.129 -8.916 -28.367 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.332 -9.114 -29.488 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.339 -7.787 -30.034 1.00 0.00 H new ATOM 0 HD1 TYR A 17 28.361 -11.507 -29.565 1.00 0.00 H new ATOM 0 HD2 TYR A 17 30.008 -8.147 -31.673 1.00 0.00 H new ATOM 0 HE1 TYR A 17 29.580 -13.052 -31.074 1.00 0.00 H new ATOM 0 HE2 TYR A 17 31.229 -9.692 -33.182 1.00 0.00 H new ATOM 0 HH TYR A 17 31.677 -11.812 -33.717 1.00 0.00 H new ATOM 138 N PRO A 18 29.799 -6.488 -27.669 1.00 0.00 N ATOM 139 CA PRO A 18 29.695 -5.139 -27.095 1.00 0.00 C ATOM 140 C PRO A 18 28.554 -4.336 -27.730 1.00 0.00 C ATOM 141 O PRO A 18 28.298 -4.430 -28.915 1.00 0.00 O ATOM 142 CB PRO A 18 31.051 -4.509 -27.429 1.00 0.00 C ATOM 143 CG PRO A 18 31.529 -5.287 -28.607 1.00 0.00 C ATOM 144 CD PRO A 18 31.091 -6.697 -28.335 1.00 0.00 C ATOM 0 HA PRO A 18 29.474 -5.157 -26.028 1.00 0.00 H new ATOM 0 HB2 PRO A 18 30.952 -3.449 -27.664 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.744 -4.586 -26.591 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.096 -4.909 -29.533 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.612 -5.222 -28.712 1.00 0.00 H new ATOM 0 HD2 PRO A 18 30.989 -7.277 -29.252 1.00 0.00 H new ATOM 0 HD3 PRO A 18 31.798 -7.229 -27.698 1.00 0.00 H new ATOM 152 N TYR A 19 27.861 -3.559 -26.946 1.00 0.00 N ATOM 153 CA TYR A 19 26.727 -2.759 -27.488 1.00 0.00 C ATOM 154 C TYR A 19 26.818 -1.323 -26.977 1.00 0.00 C ATOM 155 O TYR A 19 26.856 -1.083 -25.787 1.00 0.00 O ATOM 156 CB TYR A 19 25.410 -3.374 -27.010 1.00 0.00 C ATOM 157 CG TYR A 19 24.256 -2.778 -27.784 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.658 -1.587 -27.351 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.780 -3.421 -28.933 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.585 -1.041 -28.068 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.708 -2.875 -29.649 1.00 0.00 C ATOM 162 CZ TYR A 19 22.111 -1.685 -29.215 1.00 0.00 C ATOM 163 OH TYR A 19 21.053 -1.148 -29.922 1.00 0.00 O ATOM 0 H TYR A 19 28.032 -3.443 -25.947 1.00 0.00 H new ATOM 0 HA TYR A 19 26.770 -2.761 -28.577 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.432 -4.455 -27.147 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.278 -3.190 -25.944 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.024 -1.090 -26.465 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.240 -4.339 -29.267 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.124 -0.123 -27.735 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.342 -3.371 -30.536 1.00 0.00 H new ATOM 0 HH TYR A 19 20.588 -0.489 -29.365 1.00 0.00 H new ATOM 173 N ASP A 20 26.841 -0.362 -27.856 1.00 0.00 N ATOM 174 CA ASP A 20 26.915 1.051 -27.396 1.00 0.00 C ATOM 175 C ASP A 20 25.526 1.677 -27.509 1.00 0.00 C ATOM 176 O ASP A 20 25.018 1.886 -28.591 1.00 0.00 O ATOM 177 CB ASP A 20 27.912 1.830 -28.257 1.00 0.00 C ATOM 178 CG ASP A 20 29.333 1.359 -27.945 1.00 0.00 C ATOM 179 OD1 ASP A 20 29.575 0.166 -28.038 1.00 0.00 O ATOM 180 OD2 ASP A 20 30.157 2.198 -27.620 1.00 0.00 O ATOM 0 H ASP A 20 26.812 -0.492 -28.867 1.00 0.00 H new ATOM 0 HA ASP A 20 27.252 1.085 -26.360 1.00 0.00 H new ATOM 0 HB2 ASP A 20 27.691 1.679 -29.314 1.00 0.00 H new ATOM 0 HB3 ASP A 20 27.821 2.898 -28.061 1.00 0.00 H new ATOM 185 N GLY A 21 24.909 1.961 -26.392 1.00 0.00 N ATOM 186 CA GLY A 21 23.541 2.561 -26.401 1.00 0.00 C ATOM 187 C GLY A 21 23.313 3.366 -27.683 1.00 0.00 C ATOM 188 O GLY A 21 23.584 4.549 -27.740 1.00 0.00 O ATOM 0 H GLY A 21 25.299 1.801 -25.463 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.792 1.773 -26.322 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.416 3.207 -25.532 1.00 0.00 H new ATOM 192 N ILE A 22 22.803 2.738 -28.707 1.00 0.00 N ATOM 193 CA ILE A 22 22.543 3.473 -29.976 1.00 0.00 C ATOM 194 C ILE A 22 21.096 3.966 -29.966 1.00 0.00 C ATOM 195 O ILE A 22 20.705 4.807 -30.752 1.00 0.00 O ATOM 196 CB ILE A 22 22.758 2.538 -31.169 1.00 0.00 C ATOM 197 CG1 ILE A 22 23.921 1.590 -30.872 1.00 0.00 C ATOM 198 CG2 ILE A 22 23.081 3.368 -32.413 1.00 0.00 C ATOM 199 CD1 ILE A 22 24.140 0.661 -32.068 1.00 0.00 C ATOM 0 H ILE A 22 22.555 1.749 -28.719 1.00 0.00 H new ATOM 0 HA ILE A 22 23.226 4.318 -30.062 1.00 0.00 H new ATOM 0 HB ILE A 22 21.853 1.957 -31.344 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.827 2.161 -30.671 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.708 1.005 -29.978 1.00 0.00 H new ATOM 0 HG21 ILE A 22 23.234 2.704 -33.264 1.00 0.00 H new ATOM 0 HG22 ILE A 22 22.252 4.044 -32.625 1.00 0.00 H new ATOM 0 HG23 ILE A 22 23.987 3.949 -32.238 1.00 0.00 H new ATOM 0 HD11 ILE A 22 24.969 -0.015 -31.857 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.235 0.080 -32.248 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.372 1.255 -32.952 1.00 0.00 H new ATOM 211 N HIS A 23 20.302 3.448 -29.068 1.00 0.00 N ATOM 212 CA HIS A 23 18.880 3.875 -28.979 1.00 0.00 C ATOM 213 C HIS A 23 18.663 4.607 -27.655 1.00 0.00 C ATOM 214 O HIS A 23 19.556 4.700 -26.835 1.00 0.00 O ATOM 215 CB HIS A 23 17.973 2.644 -29.034 1.00 0.00 C ATOM 216 CG HIS A 23 17.143 2.689 -30.288 1.00 0.00 C ATOM 217 ND1 HIS A 23 15.764 2.552 -30.267 1.00 0.00 N ATOM 218 CD2 HIS A 23 17.483 2.855 -31.608 1.00 0.00 C ATOM 219 CE1 HIS A 23 15.329 2.637 -31.538 1.00 0.00 C ATOM 220 NE2 HIS A 23 16.336 2.822 -32.395 1.00 0.00 N ATOM 0 H HIS A 23 20.582 2.742 -28.388 1.00 0.00 H new ATOM 0 HA HIS A 23 18.641 4.537 -29.811 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.574 1.735 -29.015 1.00 0.00 H new ATOM 0 HB3 HIS A 23 17.326 2.616 -28.157 1.00 0.00 H new ATOM 0 HD2 HIS A 23 18.488 2.991 -31.979 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.292 2.564 -31.829 1.00 0.00 H new ATOM 0 HE2 HIS A 23 16.277 2.918 -33.409 1.00 0.00 H new ATOM 228 N PRO A 24 17.452 5.138 -27.443 1.00 0.00 N ATOM 229 CA PRO A 24 17.115 5.864 -26.214 1.00 0.00 C ATOM 230 C PRO A 24 16.978 4.926 -25.012 1.00 0.00 C ATOM 231 O PRO A 24 17.282 5.289 -23.893 1.00 0.00 O ATOM 232 CB PRO A 24 15.766 6.504 -26.535 1.00 0.00 C ATOM 233 CG PRO A 24 15.172 5.630 -27.589 1.00 0.00 C ATOM 234 CD PRO A 24 16.320 5.072 -28.384 1.00 0.00 C ATOM 0 HA PRO A 24 17.889 6.581 -25.940 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.129 6.548 -25.652 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.888 7.527 -26.891 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.585 4.828 -27.141 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.498 6.199 -28.229 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.125 4.049 -28.707 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.510 5.659 -29.282 1.00 0.00 H new ATOM 242 N ASP A 25 16.511 3.728 -25.228 1.00 0.00 N ATOM 243 CA ASP A 25 16.343 2.778 -24.090 1.00 0.00 C ATOM 244 C ASP A 25 17.333 1.614 -24.216 1.00 0.00 C ATOM 245 O ASP A 25 17.481 0.819 -23.310 1.00 0.00 O ATOM 246 CB ASP A 25 14.916 2.226 -24.104 1.00 0.00 C ATOM 247 CG ASP A 25 14.533 1.768 -22.695 1.00 0.00 C ATOM 248 OD1 ASP A 25 15.432 1.518 -21.910 1.00 0.00 O ATOM 249 OD2 ASP A 25 13.346 1.675 -22.427 1.00 0.00 O ATOM 0 H ASP A 25 16.238 3.365 -26.141 1.00 0.00 H new ATOM 0 HA ASP A 25 16.534 3.306 -23.156 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.222 2.992 -24.450 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.844 1.391 -24.801 1.00 0.00 H new ATOM 254 N ASP A 26 18.002 1.496 -25.331 1.00 0.00 N ATOM 255 CA ASP A 26 18.964 0.371 -25.500 1.00 0.00 C ATOM 256 C ASP A 26 20.059 0.460 -24.435 1.00 0.00 C ATOM 257 O ASP A 26 20.826 1.402 -24.405 1.00 0.00 O ATOM 258 CB ASP A 26 19.603 0.457 -26.886 1.00 0.00 C ATOM 259 CG ASP A 26 18.737 -0.301 -27.894 1.00 0.00 C ATOM 260 OD1 ASP A 26 17.754 -0.890 -27.475 1.00 0.00 O ATOM 261 OD2 ASP A 26 19.072 -0.282 -29.067 1.00 0.00 O ATOM 0 H ASP A 26 17.924 2.127 -26.128 1.00 0.00 H new ATOM 0 HA ASP A 26 18.433 -0.575 -25.394 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.703 1.500 -27.188 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.607 0.034 -26.862 1.00 0.00 H new ATOM 266 N LEU A 27 20.155 -0.511 -23.569 1.00 0.00 N ATOM 267 CA LEU A 27 21.218 -0.468 -22.527 1.00 0.00 C ATOM 268 C LEU A 27 22.539 -0.916 -23.161 1.00 0.00 C ATOM 269 O LEU A 27 22.585 -1.872 -23.910 1.00 0.00 O ATOM 270 CB LEU A 27 20.823 -1.397 -21.367 1.00 0.00 C ATOM 271 CG LEU A 27 22.056 -1.811 -20.556 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.814 -2.912 -21.300 1.00 0.00 C ATOM 273 CD2 LEU A 27 22.970 -0.602 -20.344 1.00 0.00 C ATOM 0 H LEU A 27 19.546 -1.329 -23.538 1.00 0.00 H new ATOM 0 HA LEU A 27 21.336 0.542 -22.135 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.108 -0.891 -20.718 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.326 -2.284 -21.759 1.00 0.00 H new ATOM 0 HG LEU A 27 21.737 -2.188 -19.584 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.690 -3.205 -20.722 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.162 -3.775 -21.434 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.130 -2.541 -22.275 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.844 -0.904 -19.767 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.290 -0.214 -21.311 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.428 0.173 -19.803 1.00 0.00 H new ATOM 285 N SER A 28 23.609 -0.223 -22.884 1.00 0.00 N ATOM 286 CA SER A 28 24.920 -0.597 -23.487 1.00 0.00 C ATOM 287 C SER A 28 25.589 -1.705 -22.670 1.00 0.00 C ATOM 288 O SER A 28 25.638 -1.656 -21.457 1.00 0.00 O ATOM 289 CB SER A 28 25.832 0.632 -23.507 1.00 0.00 C ATOM 290 OG SER A 28 26.605 0.667 -22.316 1.00 0.00 O ATOM 0 H SER A 28 23.632 0.587 -22.265 1.00 0.00 H new ATOM 0 HA SER A 28 24.752 -0.959 -24.501 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.487 0.598 -24.378 1.00 0.00 H new ATOM 0 HB3 SER A 28 25.235 1.540 -23.593 1.00 0.00 H new ATOM 0 HG SER A 28 27.190 1.453 -22.329 1.00 0.00 H new ATOM 296 N PHE A 29 26.131 -2.690 -23.331 1.00 0.00 N ATOM 297 CA PHE A 29 26.824 -3.787 -22.602 1.00 0.00 C ATOM 298 C PHE A 29 28.093 -4.163 -23.367 1.00 0.00 C ATOM 299 O PHE A 29 28.150 -4.059 -24.576 1.00 0.00 O ATOM 300 CB PHE A 29 25.904 -5.007 -22.478 1.00 0.00 C ATOM 301 CG PHE A 29 25.227 -5.305 -23.796 1.00 0.00 C ATOM 302 CD1 PHE A 29 25.849 -6.142 -24.729 1.00 0.00 C ATOM 303 CD2 PHE A 29 23.965 -4.763 -24.074 1.00 0.00 C ATOM 304 CE1 PHE A 29 25.211 -6.437 -25.941 1.00 0.00 C ATOM 305 CE2 PHE A 29 23.329 -5.055 -25.287 1.00 0.00 C ATOM 306 CZ PHE A 29 23.951 -5.893 -26.220 1.00 0.00 C ATOM 0 H PHE A 29 26.123 -2.782 -24.347 1.00 0.00 H new ATOM 0 HA PHE A 29 27.084 -3.451 -21.598 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.483 -5.873 -22.157 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.152 -4.824 -21.711 1.00 0.00 H new ATOM 0 HD1 PHE A 29 26.821 -6.561 -24.515 1.00 0.00 H new ATOM 0 HD2 PHE A 29 23.483 -4.120 -23.353 1.00 0.00 H new ATOM 0 HE1 PHE A 29 25.691 -7.084 -26.660 1.00 0.00 H new ATOM 0 HE2 PHE A 29 22.358 -4.634 -25.503 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.459 -6.120 -27.155 1.00 0.00 H new ATOM 316 N LYS A 30 29.119 -4.586 -22.681 1.00 0.00 N ATOM 317 CA LYS A 30 30.380 -4.947 -23.388 1.00 0.00 C ATOM 318 C LYS A 30 30.568 -6.461 -23.357 1.00 0.00 C ATOM 319 O LYS A 30 30.302 -7.103 -22.361 1.00 0.00 O ATOM 320 CB LYS A 30 31.562 -4.278 -22.684 1.00 0.00 C ATOM 321 CG LYS A 30 32.869 -4.737 -23.335 1.00 0.00 C ATOM 322 CD LYS A 30 34.035 -4.467 -22.383 1.00 0.00 C ATOM 323 CE LYS A 30 33.846 -5.280 -21.100 1.00 0.00 C ATOM 324 NZ LYS A 30 33.790 -4.357 -19.930 1.00 0.00 N ATOM 0 H LYS A 30 29.139 -4.697 -21.667 1.00 0.00 H new ATOM 0 HA LYS A 30 30.326 -4.608 -24.423 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.472 -3.194 -22.749 1.00 0.00 H new ATOM 0 HB3 LYS A 30 31.561 -4.535 -21.625 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.817 -5.800 -23.571 1.00 0.00 H new ATOM 0 HG3 LYS A 30 33.024 -4.209 -24.276 1.00 0.00 H new ATOM 0 HD2 LYS A 30 34.978 -4.735 -22.860 1.00 0.00 H new ATOM 0 HD3 LYS A 30 34.088 -3.404 -22.148 1.00 0.00 H new ATOM 0 HE2 LYS A 30 32.928 -5.865 -21.159 1.00 0.00 H new ATOM 0 HE3 LYS A 30 34.667 -5.987 -20.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 34.680 -4.419 -19.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 33.653 -3.381 -20.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 32.997 -4.626 -19.313 1.00 0.00 H new ATOM 338 N LYS A 31 31.036 -7.041 -24.431 1.00 0.00 N ATOM 339 CA LYS A 31 31.247 -8.513 -24.431 1.00 0.00 C ATOM 340 C LYS A 31 31.884 -8.906 -23.098 1.00 0.00 C ATOM 341 O LYS A 31 32.560 -8.117 -22.469 1.00 0.00 O ATOM 342 CB LYS A 31 32.170 -8.916 -25.580 1.00 0.00 C ATOM 343 CG LYS A 31 33.442 -8.067 -25.537 1.00 0.00 C ATOM 344 CD LYS A 31 34.636 -8.911 -25.986 1.00 0.00 C ATOM 345 CE LYS A 31 35.697 -8.922 -24.884 1.00 0.00 C ATOM 346 NZ LYS A 31 35.775 -10.282 -24.282 1.00 0.00 N ATOM 0 H LYS A 31 31.278 -6.562 -25.299 1.00 0.00 H new ATOM 0 HA LYS A 31 30.292 -9.023 -24.561 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.423 -9.973 -25.503 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.661 -8.779 -26.534 1.00 0.00 H new ATOM 0 HG2 LYS A 31 33.334 -7.198 -26.186 1.00 0.00 H new ATOM 0 HG3 LYS A 31 33.608 -7.692 -24.527 1.00 0.00 H new ATOM 0 HD2 LYS A 31 34.313 -9.929 -26.205 1.00 0.00 H new ATOM 0 HD3 LYS A 31 35.056 -8.505 -26.906 1.00 0.00 H new ATOM 0 HE2 LYS A 31 36.666 -8.639 -25.295 1.00 0.00 H new ATOM 0 HE3 LYS A 31 35.448 -8.187 -24.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 36.496 -10.289 -23.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 34.852 -10.535 -23.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 36.032 -10.972 -25.016 1.00 0.00 H new ATOM 360 N GLY A 32 31.668 -10.112 -22.655 1.00 0.00 N ATOM 361 CA GLY A 32 32.257 -10.540 -21.354 1.00 0.00 C ATOM 362 C GLY A 32 31.426 -9.966 -20.197 1.00 0.00 C ATOM 363 O GLY A 32 31.524 -10.413 -19.071 1.00 0.00 O ATOM 0 H GLY A 32 31.111 -10.819 -23.135 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.279 -11.628 -21.294 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.289 -10.196 -21.280 1.00 0.00 H new ATOM 367 N GLU A 33 30.610 -8.977 -20.462 1.00 0.00 N ATOM 368 CA GLU A 33 29.779 -8.377 -19.378 1.00 0.00 C ATOM 369 C GLU A 33 28.514 -9.216 -19.169 1.00 0.00 C ATOM 370 O GLU A 33 28.041 -9.879 -20.068 1.00 0.00 O ATOM 371 CB GLU A 33 29.387 -6.948 -19.763 1.00 0.00 C ATOM 372 CG GLU A 33 29.038 -6.158 -18.501 1.00 0.00 C ATOM 373 CD GLU A 33 30.319 -5.601 -17.876 1.00 0.00 C ATOM 374 OE1 GLU A 33 31.125 -5.057 -18.611 1.00 0.00 O ATOM 375 OE2 GLU A 33 30.471 -5.729 -16.672 1.00 0.00 O ATOM 0 H GLU A 33 30.484 -8.560 -21.384 1.00 0.00 H new ATOM 0 HA GLU A 33 30.355 -8.359 -18.453 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.208 -6.464 -20.292 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.535 -6.964 -20.442 1.00 0.00 H new ATOM 0 HG2 GLU A 33 28.356 -5.343 -18.746 1.00 0.00 H new ATOM 0 HG3 GLU A 33 28.523 -6.801 -17.788 1.00 0.00 H new ATOM 382 N LYS A 34 27.971 -9.192 -17.980 1.00 0.00 N ATOM 383 CA LYS A 34 26.741 -9.989 -17.695 1.00 0.00 C ATOM 384 C LYS A 34 25.530 -9.057 -17.618 1.00 0.00 C ATOM 385 O LYS A 34 25.621 -7.931 -17.172 1.00 0.00 O ATOM 386 CB LYS A 34 26.907 -10.718 -16.361 1.00 0.00 C ATOM 387 CG LYS A 34 27.700 -12.008 -16.579 1.00 0.00 C ATOM 388 CD LYS A 34 29.028 -11.923 -15.826 1.00 0.00 C ATOM 389 CE LYS A 34 30.186 -12.065 -16.816 1.00 0.00 C ATOM 390 NZ LYS A 34 31.429 -11.508 -16.211 1.00 0.00 N ATOM 0 H LYS A 34 28.328 -8.653 -17.191 1.00 0.00 H new ATOM 0 HA LYS A 34 26.587 -10.715 -18.493 1.00 0.00 H new ATOM 0 HB2 LYS A 34 27.424 -10.077 -15.646 1.00 0.00 H new ATOM 0 HB3 LYS A 34 25.930 -10.947 -15.936 1.00 0.00 H new ATOM 0 HG2 LYS A 34 27.125 -12.865 -16.228 1.00 0.00 H new ATOM 0 HG3 LYS A 34 27.882 -12.160 -17.643 1.00 0.00 H new ATOM 0 HD2 LYS A 34 29.100 -10.971 -15.300 1.00 0.00 H new ATOM 0 HD3 LYS A 34 29.082 -12.708 -15.072 1.00 0.00 H new ATOM 0 HE2 LYS A 34 30.332 -13.114 -17.073 1.00 0.00 H new ATOM 0 HE3 LYS A 34 29.953 -11.540 -17.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 31.938 -10.943 -16.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 31.181 -10.905 -15.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 32.037 -12.287 -15.888 1.00 0.00 H new ATOM 404 N MET A 35 24.399 -9.527 -18.059 1.00 0.00 N ATOM 405 CA MET A 35 23.166 -8.695 -18.032 1.00 0.00 C ATOM 406 C MET A 35 21.984 -9.532 -17.558 1.00 0.00 C ATOM 407 O MET A 35 21.955 -10.738 -17.706 1.00 0.00 O ATOM 408 CB MET A 35 22.855 -8.190 -19.436 1.00 0.00 C ATOM 409 CG MET A 35 23.371 -6.759 -19.594 1.00 0.00 C ATOM 410 SD MET A 35 23.201 -6.251 -21.323 1.00 0.00 S ATOM 411 CE MET A 35 24.008 -7.692 -22.060 1.00 0.00 C ATOM 0 H MET A 35 24.275 -10.464 -18.442 1.00 0.00 H new ATOM 0 HA MET A 35 23.329 -7.857 -17.354 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.320 -8.839 -20.178 1.00 0.00 H new ATOM 0 HB3 MET A 35 21.780 -8.221 -19.615 1.00 0.00 H new ATOM 0 HG2 MET A 35 22.810 -6.084 -18.948 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.415 -6.700 -19.286 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.320 -7.454 -23.077 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.881 -7.963 -21.467 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.310 -8.529 -22.081 1.00 0.00 H new ATOM 421 N LYS A 36 21.004 -8.889 -16.996 1.00 0.00 N ATOM 422 CA LYS A 36 19.801 -9.618 -16.512 1.00 0.00 C ATOM 423 C LYS A 36 18.584 -9.111 -17.282 1.00 0.00 C ATOM 424 O LYS A 36 18.349 -7.925 -17.368 1.00 0.00 O ATOM 425 CB LYS A 36 19.609 -9.355 -15.017 1.00 0.00 C ATOM 426 CG LYS A 36 18.728 -10.452 -14.416 1.00 0.00 C ATOM 427 CD LYS A 36 18.930 -10.493 -12.900 1.00 0.00 C ATOM 428 CE LYS A 36 17.664 -9.989 -12.203 1.00 0.00 C ATOM 429 NZ LYS A 36 17.617 -8.501 -12.277 1.00 0.00 N ATOM 0 H LYS A 36 20.983 -7.880 -16.849 1.00 0.00 H new ATOM 0 HA LYS A 36 19.924 -10.689 -16.671 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.575 -9.333 -14.514 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.148 -8.379 -14.865 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.681 -10.261 -14.649 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.981 -11.418 -14.854 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.154 -11.510 -12.580 1.00 0.00 H new ATOM 0 HD3 LYS A 36 19.783 -9.875 -12.619 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.780 -10.416 -12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.655 -10.313 -11.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.757 -8.157 -11.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.454 -8.103 -11.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.607 -8.203 -13.273 1.00 0.00 H new ATOM 443 N VAL A 37 17.807 -9.996 -17.839 1.00 0.00 N ATOM 444 CA VAL A 37 16.606 -9.549 -18.600 1.00 0.00 C ATOM 445 C VAL A 37 15.361 -9.716 -17.726 1.00 0.00 C ATOM 446 O VAL A 37 15.036 -10.804 -17.292 1.00 0.00 O ATOM 447 CB VAL A 37 16.465 -10.382 -19.878 1.00 0.00 C ATOM 448 CG1 VAL A 37 16.836 -11.837 -19.584 1.00 0.00 C ATOM 449 CG2 VAL A 37 15.021 -10.315 -20.385 1.00 0.00 C ATOM 0 H VAL A 37 17.949 -11.005 -17.801 1.00 0.00 H new ATOM 0 HA VAL A 37 16.716 -8.499 -18.873 1.00 0.00 H new ATOM 0 HB VAL A 37 17.133 -9.983 -20.642 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.735 -12.429 -20.494 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.866 -11.886 -19.231 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.171 -12.234 -18.817 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.927 -10.909 -21.294 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.349 -10.709 -19.623 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.758 -9.279 -20.600 1.00 0.00 H new ATOM 459 N LEU A 38 14.667 -8.644 -17.461 1.00 0.00 N ATOM 460 CA LEU A 38 13.446 -8.737 -16.612 1.00 0.00 C ATOM 461 C LEU A 38 12.239 -9.079 -17.486 1.00 0.00 C ATOM 462 O LEU A 38 11.365 -9.824 -17.088 1.00 0.00 O ATOM 463 CB LEU A 38 13.207 -7.396 -15.916 1.00 0.00 C ATOM 464 CG LEU A 38 14.532 -6.864 -15.365 1.00 0.00 C ATOM 465 CD1 LEU A 38 15.143 -5.884 -16.369 1.00 0.00 C ATOM 466 CD2 LEU A 38 14.281 -6.145 -14.038 1.00 0.00 C ATOM 0 H LEU A 38 14.893 -7.707 -17.796 1.00 0.00 H new ATOM 0 HA LEU A 38 13.584 -9.517 -15.863 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.780 -6.681 -16.619 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.487 -7.517 -15.107 1.00 0.00 H new ATOM 0 HG LEU A 38 15.219 -7.695 -15.203 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.087 -5.504 -15.978 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.322 -6.396 -17.315 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.456 -5.053 -16.530 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.225 -5.766 -13.645 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.595 -5.314 -14.199 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.845 -6.843 -13.323 1.00 0.00 H new ATOM 478 N GLU A 39 12.179 -8.541 -18.673 1.00 0.00 N ATOM 479 CA GLU A 39 11.025 -8.838 -19.566 1.00 0.00 C ATOM 480 C GLU A 39 11.531 -9.140 -20.977 1.00 0.00 C ATOM 481 O GLU A 39 12.398 -8.465 -21.495 1.00 0.00 O ATOM 482 CB GLU A 39 10.089 -7.627 -19.609 1.00 0.00 C ATOM 483 CG GLU A 39 8.775 -7.972 -18.908 1.00 0.00 C ATOM 484 CD GLU A 39 8.883 -7.629 -17.422 1.00 0.00 C ATOM 485 OE1 GLU A 39 9.171 -6.483 -17.117 1.00 0.00 O ATOM 486 OE2 GLU A 39 8.678 -8.518 -16.612 1.00 0.00 O ATOM 0 H GLU A 39 12.879 -7.909 -19.062 1.00 0.00 H new ATOM 0 HA GLU A 39 10.485 -9.704 -19.183 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.560 -6.773 -19.122 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.897 -7.339 -20.643 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.953 -7.418 -19.361 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.552 -9.032 -19.032 1.00 0.00 H new ATOM 493 N GLU A 40 10.991 -10.149 -21.604 1.00 0.00 N ATOM 494 CA GLU A 40 11.436 -10.494 -22.983 1.00 0.00 C ATOM 495 C GLU A 40 10.314 -10.167 -23.968 1.00 0.00 C ATOM 496 O GLU A 40 9.147 -10.312 -23.660 1.00 0.00 O ATOM 497 CB GLU A 40 11.760 -11.988 -23.054 1.00 0.00 C ATOM 498 CG GLU A 40 12.050 -12.382 -24.504 1.00 0.00 C ATOM 499 CD GLU A 40 11.111 -13.516 -24.920 1.00 0.00 C ATOM 500 OE1 GLU A 40 10.046 -13.622 -24.336 1.00 0.00 O ATOM 501 OE2 GLU A 40 11.474 -14.261 -25.815 1.00 0.00 O ATOM 0 H GLU A 40 10.261 -10.749 -21.221 1.00 0.00 H new ATOM 0 HA GLU A 40 12.326 -9.919 -23.238 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.622 -12.214 -22.426 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.923 -12.571 -22.669 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.913 -11.523 -25.160 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.088 -12.699 -24.606 1.00 0.00 H new ATOM 508 N HIS A 41 10.650 -9.729 -25.150 1.00 0.00 N ATOM 509 CA HIS A 41 9.594 -9.398 -26.147 1.00 0.00 C ATOM 510 C HIS A 41 9.644 -10.404 -27.301 1.00 0.00 C ATOM 511 O HIS A 41 9.588 -10.039 -28.458 1.00 0.00 O ATOM 512 CB HIS A 41 9.836 -7.991 -26.693 1.00 0.00 C ATOM 513 CG HIS A 41 9.782 -6.998 -25.563 1.00 0.00 C ATOM 514 ND1 HIS A 41 10.555 -6.845 -24.438 1.00 0.00 N flip ATOM 515 CD2 HIS A 41 8.830 -5.993 -25.507 1.00 0.00 C flip ATOM 516 CE1 HIS A 41 10.093 -5.762 -23.696 1.00 0.00 C flip ATOM 517 NE2 HIS A 41 9.053 -5.285 -24.384 1.00 0.00 N flip ATOM 0 H HIS A 41 11.609 -9.586 -25.468 1.00 0.00 H new ATOM 0 HA HIS A 41 8.616 -9.443 -25.668 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.806 -7.943 -27.187 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.084 -7.746 -27.443 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.051 -5.811 -26.232 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.490 -5.388 -22.764 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.495 -4.482 -24.094 1.00 0.00 H new ATOM 525 N GLY A 42 9.737 -11.669 -26.996 1.00 0.00 N ATOM 526 CA GLY A 42 9.778 -12.701 -28.073 1.00 0.00 C ATOM 527 C GLY A 42 10.838 -12.339 -29.117 1.00 0.00 C ATOM 528 O GLY A 42 10.695 -12.644 -30.285 1.00 0.00 O ATOM 0 H GLY A 42 9.787 -12.034 -26.045 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.001 -13.677 -27.642 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.801 -12.778 -28.549 1.00 0.00 H new ATOM 532 N GLU A 43 11.903 -11.702 -28.713 1.00 0.00 N ATOM 533 CA GLU A 43 12.968 -11.334 -29.693 1.00 0.00 C ATOM 534 C GLU A 43 13.849 -10.228 -29.112 1.00 0.00 C ATOM 535 O GLU A 43 15.059 -10.256 -29.230 1.00 0.00 O ATOM 536 CB GLU A 43 12.322 -10.837 -30.988 1.00 0.00 C ATOM 537 CG GLU A 43 12.416 -11.929 -32.055 1.00 0.00 C ATOM 538 CD GLU A 43 13.632 -11.668 -32.946 1.00 0.00 C ATOM 539 OE1 GLU A 43 14.647 -11.242 -32.420 1.00 0.00 O ATOM 540 OE2 GLU A 43 13.529 -11.899 -34.140 1.00 0.00 O ATOM 0 H GLU A 43 12.083 -11.420 -27.749 1.00 0.00 H new ATOM 0 HA GLU A 43 13.580 -12.212 -29.901 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.279 -10.576 -30.810 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.822 -9.932 -31.333 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.501 -12.908 -31.583 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.507 -11.944 -32.657 1.00 0.00 H new ATOM 547 N TRP A 44 13.252 -9.260 -28.483 1.00 0.00 N ATOM 548 CA TRP A 44 14.045 -8.148 -27.886 1.00 0.00 C ATOM 549 C TRP A 44 13.655 -7.995 -26.417 1.00 0.00 C ATOM 550 O TRP A 44 12.505 -7.781 -26.090 1.00 0.00 O ATOM 551 CB TRP A 44 13.742 -6.845 -28.631 1.00 0.00 C ATOM 552 CG TRP A 44 14.455 -6.843 -29.944 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.052 -7.513 -31.048 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.681 -6.147 -30.314 1.00 0.00 C ATOM 555 NE1 TRP A 44 14.953 -7.275 -32.070 1.00 0.00 N ATOM 556 CE2 TRP A 44 15.975 -6.439 -31.667 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.559 -5.300 -29.613 1.00 0.00 C ATOM 558 CZ2 TRP A 44 17.099 -5.909 -32.302 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.691 -4.766 -30.249 1.00 0.00 C ATOM 560 CH2 TRP A 44 17.961 -5.070 -31.591 1.00 0.00 C ATOM 0 H TRP A 44 12.243 -9.188 -28.354 1.00 0.00 H new ATOM 0 HA TRP A 44 15.109 -8.370 -27.967 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.668 -6.745 -28.788 1.00 0.00 H new ATOM 0 HB3 TRP A 44 14.057 -5.990 -28.033 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.170 -8.133 -31.120 1.00 0.00 H new ATOM 0 HE1 TRP A 44 14.872 -7.669 -33.007 1.00 0.00 H new ATOM 0 HE3 TRP A 44 16.361 -5.059 -28.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 17.301 -6.146 -33.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 18.358 -4.117 -29.701 1.00 0.00 H new ATOM 0 HH2 TRP A 44 18.834 -4.656 -32.074 1.00 0.00 H new ATOM 571 N TRP A 45 14.598 -8.108 -25.525 1.00 0.00 N ATOM 572 CA TRP A 45 14.262 -7.973 -24.083 1.00 0.00 C ATOM 573 C TRP A 45 15.021 -6.793 -23.486 1.00 0.00 C ATOM 574 O TRP A 45 15.932 -6.257 -24.084 1.00 0.00 O ATOM 575 CB TRP A 45 14.662 -9.244 -23.325 1.00 0.00 C ATOM 576 CG TRP A 45 14.907 -10.369 -24.282 1.00 0.00 C ATOM 577 CD1 TRP A 45 14.126 -10.678 -25.344 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.993 -11.338 -24.275 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.666 -11.778 -25.988 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.817 -12.221 -25.365 1.00 0.00 C ATOM 581 CE3 TRP A 45 17.103 -11.535 -23.434 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.712 -13.263 -25.613 1.00 0.00 C ATOM 583 CZ3 TRP A 45 18.006 -12.582 -23.680 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.811 -13.445 -24.768 1.00 0.00 C ATOM 0 H TRP A 45 15.581 -8.287 -25.731 1.00 0.00 H new ATOM 0 HA TRP A 45 13.188 -7.814 -23.991 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.560 -9.056 -22.737 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.874 -9.520 -22.624 1.00 0.00 H new ATOM 0 HD1 TRP A 45 13.230 -10.153 -25.640 1.00 0.00 H new ATOM 0 HE1 TRP A 45 14.264 -12.209 -26.820 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.262 -10.876 -22.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.557 -13.925 -26.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 18.855 -12.723 -23.028 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.508 -14.249 -24.953 1.00 0.00 H new ATOM 595 N LYS A 46 14.667 -6.406 -22.297 1.00 0.00 N ATOM 596 CA LYS A 46 15.381 -5.283 -21.632 1.00 0.00 C ATOM 597 C LYS A 46 16.215 -5.869 -20.491 1.00 0.00 C ATOM 598 O LYS A 46 15.698 -6.516 -19.602 1.00 0.00 O ATOM 599 CB LYS A 46 14.363 -4.268 -21.093 1.00 0.00 C ATOM 600 CG LYS A 46 14.688 -3.908 -19.640 1.00 0.00 C ATOM 601 CD LYS A 46 14.030 -2.573 -19.286 1.00 0.00 C ATOM 602 CE LYS A 46 14.922 -1.424 -19.761 1.00 0.00 C ATOM 603 NZ LYS A 46 14.450 -0.145 -19.156 1.00 0.00 N ATOM 0 H LYS A 46 13.910 -6.820 -21.753 1.00 0.00 H new ATOM 0 HA LYS A 46 16.030 -4.765 -22.338 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.375 -3.369 -21.709 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.357 -4.684 -21.155 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.330 -4.691 -18.971 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.767 -3.841 -19.503 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.048 -2.503 -19.755 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.875 -2.506 -18.209 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.958 -1.612 -19.478 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.897 -1.355 -20.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.056 0.636 -19.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.468 0.035 -19.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.496 -0.213 -18.119 1.00 0.00 H new ATOM 617 N ALA A 47 17.501 -5.671 -20.523 1.00 0.00 N ATOM 618 CA ALA A 47 18.360 -6.245 -19.452 1.00 0.00 C ATOM 619 C ALA A 47 19.216 -5.161 -18.797 1.00 0.00 C ATOM 620 O ALA A 47 19.638 -4.209 -19.425 1.00 0.00 O ATOM 621 CB ALA A 47 19.276 -7.310 -20.053 1.00 0.00 C ATOM 0 H ALA A 47 17.994 -5.139 -21.241 1.00 0.00 H new ATOM 0 HA ALA A 47 17.714 -6.686 -18.693 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.906 -7.732 -19.270 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.672 -8.101 -20.498 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.904 -6.858 -20.821 1.00 0.00 H new ATOM 627 N LYS A 48 19.467 -5.316 -17.528 1.00 0.00 N ATOM 628 CA LYS A 48 20.293 -4.322 -16.792 1.00 0.00 C ATOM 629 C LYS A 48 21.701 -4.882 -16.602 1.00 0.00 C ATOM 630 O LYS A 48 21.907 -6.080 -16.619 1.00 0.00 O ATOM 631 CB LYS A 48 19.665 -4.038 -15.427 1.00 0.00 C ATOM 632 CG LYS A 48 19.716 -5.304 -14.573 1.00 0.00 C ATOM 633 CD LYS A 48 20.272 -4.964 -13.189 1.00 0.00 C ATOM 634 CE LYS A 48 19.126 -4.553 -12.263 1.00 0.00 C ATOM 635 NZ LYS A 48 19.657 -4.313 -10.892 1.00 0.00 N ATOM 0 H LYS A 48 19.131 -6.097 -16.964 1.00 0.00 H new ATOM 0 HA LYS A 48 20.341 -3.394 -17.362 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.199 -3.229 -14.930 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.633 -3.710 -15.550 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.718 -5.733 -14.480 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.343 -6.055 -15.054 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.797 -5.825 -12.775 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.999 -4.155 -13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.644 -3.651 -12.641 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.366 -5.334 -12.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.878 -4.034 -10.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.097 -5.184 -10.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.367 -3.554 -10.923 1.00 0.00 H new ATOM 649 N SER A 49 22.675 -4.033 -16.439 1.00 0.00 N ATOM 650 CA SER A 49 24.064 -4.539 -16.270 1.00 0.00 C ATOM 651 C SER A 49 24.428 -4.579 -14.785 1.00 0.00 C ATOM 652 O SER A 49 24.250 -3.614 -14.067 1.00 0.00 O ATOM 653 CB SER A 49 25.038 -3.617 -17.008 1.00 0.00 C ATOM 654 OG SER A 49 26.253 -4.310 -17.251 1.00 0.00 O ATOM 0 H SER A 49 22.571 -3.019 -16.416 1.00 0.00 H new ATOM 0 HA SER A 49 24.129 -5.546 -16.682 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.600 -3.287 -17.950 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.229 -2.723 -16.415 1.00 0.00 H new ATOM 0 HG SER A 49 26.876 -3.721 -17.725 1.00 0.00 H new ATOM 660 N LEU A 50 24.935 -5.685 -14.316 1.00 0.00 N ATOM 661 CA LEU A 50 25.304 -5.778 -12.875 1.00 0.00 C ATOM 662 C LEU A 50 26.525 -4.891 -12.604 1.00 0.00 C ATOM 663 O LEU A 50 26.875 -4.628 -11.471 1.00 0.00 O ATOM 664 CB LEU A 50 25.640 -7.228 -12.525 1.00 0.00 C ATOM 665 CG LEU A 50 24.353 -7.981 -12.180 1.00 0.00 C ATOM 666 CD1 LEU A 50 24.538 -9.471 -12.478 1.00 0.00 C ATOM 667 CD2 LEU A 50 24.034 -7.793 -10.695 1.00 0.00 C ATOM 0 H LEU A 50 25.110 -6.526 -14.866 1.00 0.00 H new ATOM 0 HA LEU A 50 24.466 -5.443 -12.263 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.142 -7.709 -13.365 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.330 -7.259 -11.681 1.00 0.00 H new ATOM 0 HG LEU A 50 23.531 -7.590 -12.780 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.622 -10.008 -12.232 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.765 -9.605 -13.536 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.360 -9.863 -11.878 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.117 -8.329 -10.449 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.855 -8.184 -10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.902 -6.732 -10.483 1.00 0.00 H new ATOM 679 N LEU A 51 27.176 -4.432 -13.640 1.00 0.00 N ATOM 680 CA LEU A 51 28.376 -3.567 -13.449 1.00 0.00 C ATOM 681 C LEU A 51 27.941 -2.177 -12.982 1.00 0.00 C ATOM 682 O LEU A 51 28.278 -1.740 -11.900 1.00 0.00 O ATOM 683 CB LEU A 51 29.132 -3.445 -14.773 1.00 0.00 C ATOM 684 CG LEU A 51 30.281 -2.448 -14.616 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.269 -2.969 -13.570 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.000 -2.280 -15.957 1.00 0.00 C ATOM 0 H LEU A 51 26.928 -4.619 -14.611 1.00 0.00 H new ATOM 0 HA LEU A 51 29.026 -4.014 -12.697 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.520 -4.418 -15.073 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.455 -3.115 -15.561 1.00 0.00 H new ATOM 0 HG LEU A 51 29.884 -1.485 -14.294 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.088 -2.259 -13.458 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.758 -3.088 -12.614 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.665 -3.932 -13.892 1.00 0.00 H new ATOM 0 HD21 LEU A 51 31.819 -1.569 -15.844 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.397 -3.242 -16.280 1.00 0.00 H new ATOM 0 HD23 LEU A 51 30.297 -1.908 -16.703 1.00 0.00 H new ATOM 698 N THR A 52 27.195 -1.483 -13.791 1.00 0.00 N ATOM 699 CA THR A 52 26.732 -0.122 -13.398 1.00 0.00 C ATOM 700 C THR A 52 25.237 -0.167 -13.083 1.00 0.00 C ATOM 701 O THR A 52 24.635 0.826 -12.725 1.00 0.00 O ATOM 702 CB THR A 52 26.984 0.858 -14.547 1.00 0.00 C ATOM 703 OG1 THR A 52 26.139 1.989 -14.396 1.00 0.00 O ATOM 704 CG2 THR A 52 26.686 0.170 -15.880 1.00 0.00 C ATOM 0 H THR A 52 26.884 -1.798 -14.710 1.00 0.00 H new ATOM 0 HA THR A 52 27.281 0.208 -12.516 1.00 0.00 H new ATOM 0 HB THR A 52 28.026 1.178 -14.531 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.687 1.946 -13.528 1.00 0.00 H new ATOM 0 HG21 THR A 52 26.865 0.868 -16.698 1.00 0.00 H new ATOM 0 HG22 THR A 52 27.335 -0.698 -15.995 1.00 0.00 H new ATOM 0 HG23 THR A 52 25.645 -0.151 -15.899 1.00 0.00 H new ATOM 712 N LYS A 53 24.634 -1.317 -13.205 1.00 0.00 N ATOM 713 CA LYS A 53 23.180 -1.436 -12.907 1.00 0.00 C ATOM 714 C LYS A 53 22.372 -0.648 -13.937 1.00 0.00 C ATOM 715 O LYS A 53 21.258 -0.236 -13.681 1.00 0.00 O ATOM 716 CB LYS A 53 22.902 -0.880 -11.509 1.00 0.00 C ATOM 717 CG LYS A 53 24.038 -1.282 -10.566 1.00 0.00 C ATOM 718 CD LYS A 53 23.456 -1.689 -9.211 1.00 0.00 C ATOM 719 CE LYS A 53 22.549 -0.572 -8.690 1.00 0.00 C ATOM 720 NZ LYS A 53 21.132 -1.033 -8.708 1.00 0.00 N ATOM 0 H LYS A 53 25.088 -2.182 -13.499 1.00 0.00 H new ATOM 0 HA LYS A 53 22.889 -2.486 -12.950 1.00 0.00 H new ATOM 0 HB2 LYS A 53 22.815 0.206 -11.548 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.952 -1.263 -11.136 1.00 0.00 H new ATOM 0 HG2 LYS A 53 24.605 -2.109 -10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 53 24.732 -0.451 -10.441 1.00 0.00 H new ATOM 0 HD2 LYS A 53 22.890 -2.615 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 53 24.260 -1.881 -8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 53 22.840 -0.296 -7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 53 22.660 0.319 -9.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 20.516 -0.251 -9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 21.033 -1.826 -9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 20.856 -1.345 -7.755 1.00 0.00 H new ATOM 734 N LYS A 54 22.914 -0.446 -15.105 1.00 0.00 N ATOM 735 CA LYS A 54 22.162 0.301 -16.147 1.00 0.00 C ATOM 736 C LYS A 54 21.155 -0.651 -16.789 1.00 0.00 C ATOM 737 O LYS A 54 21.451 -1.804 -17.023 1.00 0.00 O ATOM 738 CB LYS A 54 23.132 0.819 -17.210 1.00 0.00 C ATOM 739 CG LYS A 54 23.755 2.133 -16.735 1.00 0.00 C ATOM 740 CD LYS A 54 23.104 3.303 -17.474 1.00 0.00 C ATOM 741 CE LYS A 54 23.209 4.569 -16.619 1.00 0.00 C ATOM 742 NZ LYS A 54 23.256 5.765 -17.507 1.00 0.00 N ATOM 0 H LYS A 54 23.842 -0.765 -15.381 1.00 0.00 H new ATOM 0 HA LYS A 54 21.644 1.150 -15.700 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.912 0.081 -17.396 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.607 0.973 -18.153 1.00 0.00 H new ATOM 0 HG2 LYS A 54 23.616 2.246 -15.660 1.00 0.00 H new ATOM 0 HG3 LYS A 54 24.829 2.126 -16.919 1.00 0.00 H new ATOM 0 HD2 LYS A 54 23.595 3.458 -18.435 1.00 0.00 H new ATOM 0 HD3 LYS A 54 22.058 3.078 -17.683 1.00 0.00 H new ATOM 0 HE2 LYS A 54 22.356 4.637 -15.944 1.00 0.00 H new ATOM 0 HE3 LYS A 54 24.104 4.528 -15.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 23.327 6.625 -16.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 24.084 5.700 -18.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 22.390 5.805 -18.081 1.00 0.00 H new ATOM 756 N GLU A 55 19.970 -0.189 -17.077 1.00 0.00 N ATOM 757 CA GLU A 55 18.963 -1.090 -17.702 1.00 0.00 C ATOM 758 C GLU A 55 18.515 -0.502 -19.037 1.00 0.00 C ATOM 759 O GLU A 55 18.395 0.697 -19.193 1.00 0.00 O ATOM 760 CB GLU A 55 17.750 -1.239 -16.778 1.00 0.00 C ATOM 761 CG GLU A 55 18.189 -1.066 -15.324 1.00 0.00 C ATOM 762 CD GLU A 55 16.967 -0.775 -14.451 1.00 0.00 C ATOM 763 OE1 GLU A 55 15.920 -1.338 -14.727 1.00 0.00 O ATOM 764 OE2 GLU A 55 17.099 0.006 -13.524 1.00 0.00 O ATOM 0 H GLU A 55 19.657 0.767 -16.908 1.00 0.00 H new ATOM 0 HA GLU A 55 19.412 -2.070 -17.864 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.994 -0.496 -17.031 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.293 -2.219 -16.916 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.691 -1.968 -14.975 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.908 -0.250 -15.245 1.00 0.00 H new ATOM 771 N GLY A 56 18.275 -1.340 -20.004 1.00 0.00 N ATOM 772 CA GLY A 56 17.843 -0.836 -21.337 1.00 0.00 C ATOM 773 C GLY A 56 17.308 -1.994 -22.174 1.00 0.00 C ATOM 774 O GLY A 56 17.022 -3.063 -21.671 1.00 0.00 O ATOM 0 H GLY A 56 18.359 -2.354 -19.930 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.072 -0.075 -21.217 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.682 -0.363 -21.847 1.00 0.00 H new ATOM 778 N PHE A 57 17.176 -1.790 -23.453 1.00 0.00 N ATOM 779 CA PHE A 57 16.666 -2.879 -24.329 1.00 0.00 C ATOM 780 C PHE A 57 17.851 -3.612 -24.960 1.00 0.00 C ATOM 781 O PHE A 57 18.774 -3.005 -25.466 1.00 0.00 O ATOM 782 CB PHE A 57 15.775 -2.289 -25.425 1.00 0.00 C ATOM 783 CG PHE A 57 14.550 -3.154 -25.606 1.00 0.00 C ATOM 784 CD1 PHE A 57 13.888 -3.676 -24.489 1.00 0.00 C ATOM 785 CD2 PHE A 57 14.073 -3.430 -26.894 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.751 -4.475 -24.659 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.937 -4.230 -27.064 1.00 0.00 C ATOM 788 CZ PHE A 57 12.276 -4.752 -25.946 1.00 0.00 C ATOM 0 H PHE A 57 17.399 -0.916 -23.930 1.00 0.00 H new ATOM 0 HA PHE A 57 16.078 -3.580 -23.736 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.479 -1.274 -25.160 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.328 -2.225 -26.362 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.254 -3.462 -23.496 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.582 -3.025 -27.756 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.240 -4.878 -23.797 1.00 0.00 H new ATOM 0 HE2 PHE A 57 12.571 -4.444 -28.057 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.399 -5.369 -26.077 1.00 0.00 H new ATOM 798 N ILE A 58 17.831 -4.916 -24.930 1.00 0.00 N ATOM 799 CA ILE A 58 18.952 -5.697 -25.525 1.00 0.00 C ATOM 800 C ILE A 58 18.386 -6.680 -26.550 1.00 0.00 C ATOM 801 O ILE A 58 17.335 -7.255 -26.347 1.00 0.00 O ATOM 802 CB ILE A 58 19.676 -6.473 -24.422 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.707 -7.463 -23.771 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.193 -5.496 -23.362 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.497 -8.496 -22.963 1.00 0.00 C ATOM 0 H ILE A 58 17.085 -5.476 -24.518 1.00 0.00 H new ATOM 0 HA ILE A 58 19.655 -5.020 -26.011 1.00 0.00 H new ATOM 0 HB ILE A 58 20.515 -7.017 -24.855 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.011 -6.933 -23.121 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.112 -7.962 -24.536 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.708 -6.050 -22.577 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.885 -4.791 -23.823 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.354 -4.950 -22.930 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.807 -9.201 -22.500 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.175 -9.034 -23.625 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.072 -7.989 -22.188 1.00 0.00 H new ATOM 817 N PRO A 59 19.090 -6.877 -27.675 1.00 0.00 N ATOM 818 CA PRO A 59 18.637 -7.796 -28.721 1.00 0.00 C ATOM 819 C PRO A 59 18.791 -9.249 -28.272 1.00 0.00 C ATOM 820 O PRO A 59 19.636 -9.557 -27.454 1.00 0.00 O ATOM 821 CB PRO A 59 19.573 -7.500 -29.891 1.00 0.00 C ATOM 822 CG PRO A 59 20.807 -6.945 -29.260 1.00 0.00 C ATOM 823 CD PRO A 59 20.371 -6.230 -28.011 1.00 0.00 C ATOM 0 HA PRO A 59 17.584 -7.663 -28.970 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.792 -8.403 -30.461 1.00 0.00 H new ATOM 0 HB3 PRO A 59 19.127 -6.786 -30.584 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.512 -7.742 -29.023 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.315 -6.261 -29.940 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.100 -6.342 -27.209 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.248 -5.161 -28.183 1.00 0.00 H new ATOM 831 N SER A 60 17.995 -10.150 -28.773 1.00 0.00 N ATOM 832 CA SER A 60 18.136 -11.565 -28.330 1.00 0.00 C ATOM 833 C SER A 60 19.180 -12.281 -29.191 1.00 0.00 C ATOM 834 O SER A 60 19.121 -13.478 -29.384 1.00 0.00 O ATOM 835 CB SER A 60 16.789 -12.277 -28.447 1.00 0.00 C ATOM 836 OG SER A 60 16.384 -12.303 -29.808 1.00 0.00 O ATOM 0 H SER A 60 17.262 -9.973 -29.460 1.00 0.00 H new ATOM 0 HA SER A 60 18.463 -11.583 -27.290 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.868 -13.293 -28.060 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.041 -11.764 -27.843 1.00 0.00 H new ATOM 0 HG SER A 60 15.910 -11.473 -30.024 1.00 0.00 H new ATOM 842 N ASN A 61 20.143 -11.560 -29.704 1.00 0.00 N ATOM 843 CA ASN A 61 21.190 -12.213 -30.542 1.00 0.00 C ATOM 844 C ASN A 61 22.570 -11.655 -30.178 1.00 0.00 C ATOM 845 O ASN A 61 23.581 -12.105 -30.680 1.00 0.00 O ATOM 846 CB ASN A 61 20.905 -11.952 -32.020 1.00 0.00 C ATOM 847 CG ASN A 61 21.380 -13.144 -32.851 1.00 0.00 C ATOM 848 OD1 ASN A 61 20.643 -14.090 -33.054 1.00 0.00 O ATOM 849 ND2 ASN A 61 22.588 -13.142 -33.344 1.00 0.00 N ATOM 0 H ASN A 61 20.249 -10.553 -29.580 1.00 0.00 H new ATOM 0 HA ASN A 61 21.177 -13.287 -30.356 1.00 0.00 H new ATOM 0 HB2 ASN A 61 19.838 -11.792 -32.172 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.413 -11.044 -32.344 1.00 0.00 H new ATOM 0 HD21 ASN A 61 22.914 -13.933 -33.899 1.00 0.00 H new ATOM 0 HD22 ASN A 61 23.207 -12.349 -33.174 1.00 0.00 H new ATOM 856 N TYR A 62 22.628 -10.686 -29.303 1.00 0.00 N ATOM 857 CA TYR A 62 23.949 -10.119 -28.909 1.00 0.00 C ATOM 858 C TYR A 62 24.354 -10.693 -27.549 1.00 0.00 C ATOM 859 O TYR A 62 25.518 -10.754 -27.209 1.00 0.00 O ATOM 860 CB TYR A 62 23.847 -8.595 -28.807 1.00 0.00 C ATOM 861 CG TYR A 62 23.781 -8.001 -30.193 1.00 0.00 C ATOM 862 CD1 TYR A 62 22.791 -8.423 -31.091 1.00 0.00 C ATOM 863 CD2 TYR A 62 24.709 -7.029 -30.583 1.00 0.00 C ATOM 864 CE1 TYR A 62 22.730 -7.871 -32.376 1.00 0.00 C ATOM 865 CE2 TYR A 62 24.649 -6.477 -31.868 1.00 0.00 C ATOM 866 CZ TYR A 62 23.659 -6.899 -32.765 1.00 0.00 C ATOM 867 OH TYR A 62 23.600 -6.356 -34.032 1.00 0.00 O ATOM 0 H TYR A 62 21.820 -10.264 -28.846 1.00 0.00 H new ATOM 0 HA TYR A 62 24.696 -10.380 -29.659 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.960 -8.317 -28.238 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.708 -8.197 -28.270 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.075 -9.174 -30.792 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.473 -6.704 -29.892 1.00 0.00 H new ATOM 0 HE1 TYR A 62 21.966 -8.195 -33.067 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.365 -5.726 -32.168 1.00 0.00 H new ATOM 0 HH TYR A 62 24.316 -5.696 -34.139 1.00 0.00 H new ATOM 877 N VAL A 63 23.395 -11.119 -26.772 1.00 0.00 N ATOM 878 CA VAL A 63 23.711 -11.698 -25.435 1.00 0.00 C ATOM 879 C VAL A 63 23.111 -13.101 -25.339 1.00 0.00 C ATOM 880 O VAL A 63 22.173 -13.431 -26.036 1.00 0.00 O ATOM 881 CB VAL A 63 23.103 -10.817 -24.341 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.616 -9.386 -24.495 1.00 0.00 C ATOM 883 CG2 VAL A 63 21.577 -10.832 -24.462 1.00 0.00 C ATOM 0 H VAL A 63 22.403 -11.091 -27.007 1.00 0.00 H new ATOM 0 HA VAL A 63 24.792 -11.748 -25.306 1.00 0.00 H new ATOM 0 HB VAL A 63 23.392 -11.201 -23.363 1.00 0.00 H new ATOM 0 HG11 VAL A 63 23.183 -8.758 -23.716 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.702 -9.377 -24.406 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.329 -9.000 -25.473 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.144 -10.205 -23.683 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.286 -10.449 -25.440 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.213 -11.853 -24.349 1.00 0.00 H new ATOM 893 N ALA A 64 23.634 -13.929 -24.476 1.00 0.00 N ATOM 894 CA ALA A 64 23.071 -15.304 -24.343 1.00 0.00 C ATOM 895 C ALA A 64 23.296 -15.813 -22.920 1.00 0.00 C ATOM 896 O ALA A 64 23.633 -15.062 -22.026 1.00 0.00 O ATOM 897 CB ALA A 64 23.750 -16.242 -25.342 1.00 0.00 C ATOM 0 H ALA A 64 24.420 -13.716 -23.862 1.00 0.00 H new ATOM 0 HA ALA A 64 22.001 -15.277 -24.552 1.00 0.00 H new ATOM 0 HB1 ALA A 64 23.335 -17.245 -25.240 1.00 0.00 H new ATOM 0 HB2 ALA A 64 23.579 -15.880 -26.356 1.00 0.00 H new ATOM 0 HB3 ALA A 64 24.821 -16.271 -25.143 1.00 0.00 H new ATOM 903 N LYS A 65 23.110 -17.084 -22.706 1.00 0.00 N ATOM 904 CA LYS A 65 23.310 -17.648 -21.340 1.00 0.00 C ATOM 905 C LYS A 65 24.698 -18.281 -21.250 1.00 0.00 C ATOM 906 O LYS A 65 24.836 -19.475 -21.074 1.00 0.00 O ATOM 907 CB LYS A 65 22.244 -18.713 -21.066 1.00 0.00 C ATOM 908 CG LYS A 65 20.973 -18.383 -21.852 1.00 0.00 C ATOM 909 CD LYS A 65 19.804 -19.202 -21.302 1.00 0.00 C ATOM 910 CE LYS A 65 19.028 -18.364 -20.283 1.00 0.00 C ATOM 911 NZ LYS A 65 18.924 -19.113 -19.000 1.00 0.00 N ATOM 0 H LYS A 65 22.828 -17.759 -23.417 1.00 0.00 H new ATOM 0 HA LYS A 65 23.225 -16.851 -20.601 1.00 0.00 H new ATOM 0 HB2 LYS A 65 22.616 -19.696 -21.353 1.00 0.00 H new ATOM 0 HB3 LYS A 65 22.023 -18.755 -19.999 1.00 0.00 H new ATOM 0 HG2 LYS A 65 20.752 -17.318 -21.776 1.00 0.00 H new ATOM 0 HG3 LYS A 65 21.119 -18.604 -22.909 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.145 -19.507 -22.115 1.00 0.00 H new ATOM 0 HD3 LYS A 65 20.174 -20.114 -20.833 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.532 -17.411 -20.120 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.033 -18.137 -20.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.045 -18.846 -18.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.916 -20.135 -19.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 19.738 -18.882 -18.396 1.00 0.00 H new ATOM 925 N LEU A 66 25.728 -17.489 -21.370 1.00 0.00 N ATOM 926 CA LEU A 66 27.109 -18.042 -21.293 1.00 0.00 C ATOM 927 C LEU A 66 27.174 -19.362 -22.064 1.00 0.00 C ATOM 928 O LEU A 66 27.026 -20.429 -21.502 1.00 0.00 O ATOM 929 CB LEU A 66 27.481 -18.289 -19.828 1.00 0.00 C ATOM 930 CG LEU A 66 28.965 -17.984 -19.622 1.00 0.00 C ATOM 931 CD1 LEU A 66 29.218 -17.649 -18.151 1.00 0.00 C ATOM 932 CD2 LEU A 66 29.798 -19.204 -20.017 1.00 0.00 C ATOM 0 H LEU A 66 25.672 -16.481 -21.518 1.00 0.00 H new ATOM 0 HA LEU A 66 27.809 -17.330 -21.730 1.00 0.00 H new ATOM 0 HB2 LEU A 66 26.875 -17.659 -19.176 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.270 -19.324 -19.557 1.00 0.00 H new ATOM 0 HG LEU A 66 29.249 -17.134 -20.243 1.00 0.00 H new ATOM 0 HD11 LEU A 66 30.276 -17.432 -18.004 1.00 0.00 H new ATOM 0 HD12 LEU A 66 28.626 -16.778 -17.869 1.00 0.00 H new ATOM 0 HD13 LEU A 66 28.933 -18.498 -17.530 1.00 0.00 H new ATOM 0 HD21 LEU A 66 30.856 -18.986 -19.870 1.00 0.00 H new ATOM 0 HD22 LEU A 66 29.514 -20.055 -19.398 1.00 0.00 H new ATOM 0 HD23 LEU A 66 29.619 -19.443 -21.065 1.00 0.00 H new ATOM 944 N ASN A 67 27.391 -19.300 -23.349 1.00 0.00 N ATOM 945 CA ASN A 67 27.463 -20.551 -24.156 1.00 0.00 C ATOM 946 C ASN A 67 28.456 -21.520 -23.511 1.00 0.00 C ATOM 947 O ASN A 67 29.396 -21.116 -22.856 1.00 0.00 O ATOM 948 CB ASN A 67 27.925 -20.215 -25.575 1.00 0.00 C ATOM 949 CG ASN A 67 27.569 -21.369 -26.514 1.00 0.00 C ATOM 950 OD1 ASN A 67 26.409 -21.603 -26.794 1.00 0.00 O ATOM 951 ND2 ASN A 67 28.522 -22.104 -27.016 1.00 0.00 N ATOM 0 H ASN A 67 27.522 -18.436 -23.876 1.00 0.00 H new ATOM 0 HA ASN A 67 26.478 -21.016 -24.195 1.00 0.00 H new ATOM 0 HB2 ASN A 67 27.450 -19.295 -25.915 1.00 0.00 H new ATOM 0 HB3 ASN A 67 29.001 -20.041 -25.587 1.00 0.00 H new ATOM 0 HD21 ASN A 67 28.294 -22.875 -27.644 1.00 0.00 H new ATOM 0 HD22 ASN A 67 29.495 -21.908 -26.781 1.00 0.00 H new ATOM 958 N THR A 68 28.255 -22.797 -23.692 1.00 0.00 N ATOM 959 CA THR A 68 29.188 -23.791 -23.089 1.00 0.00 C ATOM 960 C THR A 68 29.820 -24.635 -24.198 1.00 0.00 C ATOM 961 O THR A 68 30.727 -24.141 -24.847 1.00 0.00 O ATOM 962 CB THR A 68 28.414 -24.703 -22.133 1.00 0.00 C ATOM 963 OG1 THR A 68 27.049 -24.312 -22.110 1.00 0.00 O ATOM 964 CG2 THR A 68 29.004 -24.589 -20.727 1.00 0.00 C ATOM 965 OXT THR A 68 29.385 -25.760 -24.380 1.00 0.00 O ATOM 0 H THR A 68 27.486 -23.195 -24.231 1.00 0.00 H new ATOM 0 HA THR A 68 29.970 -23.268 -22.539 1.00 0.00 H new ATOM 0 HB THR A 68 28.490 -25.736 -22.473 1.00 0.00 H new ATOM 0 HG1 THR A 68 26.552 -24.896 -21.500 1.00 0.00 H new ATOM 0 HG21 THR A 68 28.452 -25.238 -20.047 1.00 0.00 H new ATOM 0 HG22 THR A 68 30.051 -24.890 -20.746 1.00 0.00 H new ATOM 0 HG23 THR A 68 28.929 -23.557 -20.384 1.00 0.00 H new TER 973 THR A 68