USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 162:sc= 1.31 (180deg=1.01) USER MOD Single : A 2 SER OG : rot 69:sc= 0.961 USER MOD Single : A 5 LYS NZ :NH3+ -160:sc= 1.86 (180deg=0.857) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -3.81! C(o=-3.8!,f=-5.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -3.7! C(o=-3.7!,f=-4.8!) USER MOD Single : A 20 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -121:sc= -0.315 (180deg=-1.92!) USER MOD Single : A 30 SER OG : rot 91:sc= 1.21 USER MOD Single : A 33 HIS : no HD1:sc=-0.00754 X(o=-0.0075,f=-0.28) USER MOD Single : A 35 HIS : no HE2:sc= -0.115 K(o=-0.12,f=-2.3) USER MOD Single : A 37 LYS NZ :NH3+ -153:sc= 1.17 (180deg=0.756) USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= 0.949 (180deg=0.504) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= -0.0355 (180deg=-0.239) USER MOD Single : A 48 LYS NZ :NH3+ -107:sc= 0.298 (180deg=-0.376) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.990 -16.016 10.398 1.00 0.00 N ATOM 2 CA GLY A 1 -0.057 -16.190 11.523 1.00 0.00 C ATOM 3 C GLY A 1 1.129 -15.266 11.405 1.00 0.00 C ATOM 4 O GLY A 1 1.499 -14.861 10.300 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.616 -16.844 10.335 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.562 -15.161 10.550 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.452 -15.920 9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.577 -15.998 12.461 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.287 -17.224 11.555 1.00 0.00 H new ATOM 10 N SER A 2 1.726 -14.920 12.531 1.00 0.00 N ATOM 11 CA SER A 2 2.867 -14.034 12.536 1.00 0.00 C ATOM 12 C SER A 2 4.129 -14.784 12.121 1.00 0.00 C ATOM 13 O SER A 2 4.817 -15.369 12.958 1.00 0.00 O ATOM 14 CB SER A 2 3.047 -13.414 13.919 1.00 0.00 C ATOM 15 OG SER A 2 1.835 -12.826 14.367 1.00 0.00 O ATOM 0 H SER A 2 1.436 -15.242 13.454 1.00 0.00 H new ATOM 0 HA SER A 2 2.690 -13.236 11.815 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.370 -14.178 14.626 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.833 -12.659 13.885 1.00 0.00 H new ATOM 0 HG SER A 2 1.179 -13.530 14.552 1.00 0.00 H new ATOM 21 N VAL A 3 4.395 -14.800 10.819 1.00 0.00 N ATOM 22 CA VAL A 3 5.579 -15.459 10.277 1.00 0.00 C ATOM 23 C VAL A 3 6.846 -14.854 10.875 1.00 0.00 C ATOM 24 O VAL A 3 7.716 -15.568 11.369 1.00 0.00 O ATOM 25 CB VAL A 3 5.634 -15.345 8.734 1.00 0.00 C ATOM 26 CG1 VAL A 3 6.843 -16.088 8.177 1.00 0.00 C ATOM 27 CG2 VAL A 3 4.347 -15.871 8.111 1.00 0.00 C ATOM 0 H VAL A 3 3.802 -14.361 10.115 1.00 0.00 H new ATOM 0 HA VAL A 3 5.517 -16.514 10.544 1.00 0.00 H new ATOM 0 HB VAL A 3 5.735 -14.291 8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.860 -15.993 7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.756 -15.661 8.593 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.779 -17.142 8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.405 -15.782 7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.213 -16.918 8.383 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.501 -15.290 8.478 1.00 0.00 H new ATOM 37 N GLU A 4 6.939 -13.539 10.833 1.00 0.00 N ATOM 38 CA GLU A 4 8.072 -12.849 11.391 1.00 0.00 C ATOM 39 C GLU A 4 7.665 -11.449 11.890 1.00 0.00 C ATOM 40 O GLU A 4 7.226 -11.319 13.029 1.00 0.00 O ATOM 41 CB GLU A 4 9.243 -12.830 10.380 1.00 0.00 C ATOM 42 CG GLU A 4 10.431 -11.973 10.778 1.00 0.00 C ATOM 43 CD GLU A 4 11.522 -12.009 9.736 1.00 0.00 C ATOM 44 OE1 GLU A 4 11.575 -11.094 8.891 1.00 0.00 O ATOM 45 OE2 GLU A 4 12.317 -12.967 9.739 1.00 0.00 O ATOM 0 H GLU A 4 6.236 -12.930 10.415 1.00 0.00 H new ATOM 0 HA GLU A 4 8.432 -13.388 12.267 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.588 -13.853 10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.867 -12.477 9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.104 -10.944 10.926 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.827 -12.322 11.732 1.00 0.00 H new ATOM 52 N LYS A 5 7.772 -10.421 11.030 1.00 0.00 N ATOM 53 CA LYS A 5 7.410 -9.037 11.390 1.00 0.00 C ATOM 54 C LYS A 5 7.997 -8.614 12.756 1.00 0.00 C ATOM 55 O LYS A 5 7.338 -7.920 13.528 1.00 0.00 O ATOM 56 CB LYS A 5 5.887 -8.858 11.385 1.00 0.00 C ATOM 57 CG LYS A 5 5.267 -8.921 9.999 1.00 0.00 C ATOM 58 CD LYS A 5 3.785 -8.583 10.043 1.00 0.00 C ATOM 59 CE LYS A 5 3.199 -8.455 8.644 1.00 0.00 C ATOM 60 NZ LYS A 5 3.912 -7.434 7.833 1.00 0.00 N ATOM 0 H LYS A 5 8.109 -10.524 10.073 1.00 0.00 H new ATOM 0 HA LYS A 5 7.848 -8.386 10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.438 -9.630 12.009 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.642 -7.898 11.839 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.782 -8.226 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.403 -9.919 9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.250 -9.358 10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.640 -7.649 10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.251 -9.420 8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.144 -8.189 8.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.306 -7.132 7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.138 -6.613 8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.792 -7.842 7.457 1.00 0.00 H new ATOM 74 N LEU A 6 9.239 -9.065 13.043 1.00 0.00 N ATOM 75 CA LEU A 6 9.968 -8.716 14.286 1.00 0.00 C ATOM 76 C LEU A 6 9.469 -9.520 15.502 1.00 0.00 C ATOM 77 O LEU A 6 10.066 -9.468 16.579 1.00 0.00 O ATOM 78 CB LEU A 6 9.918 -7.202 14.560 1.00 0.00 C ATOM 79 CG LEU A 6 10.417 -6.303 13.420 1.00 0.00 C ATOM 80 CD1 LEU A 6 10.266 -4.836 13.785 1.00 0.00 C ATOM 81 CD2 LEU A 6 11.864 -6.624 13.073 1.00 0.00 C ATOM 0 H LEU A 6 9.764 -9.680 12.422 1.00 0.00 H new ATOM 0 HA LEU A 6 11.010 -8.994 14.128 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.889 -6.927 14.791 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.512 -6.992 15.450 1.00 0.00 H new ATOM 0 HG LEU A 6 9.804 -6.500 12.541 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.626 -4.218 12.963 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.216 -4.614 13.973 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.848 -4.622 14.681 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.196 -5.975 12.263 1.00 0.00 H new ATOM 0 HD22 LEU A 6 12.493 -6.462 13.949 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.940 -7.665 12.759 1.00 0.00 H new ATOM 93 N THR A 7 8.366 -10.235 15.314 1.00 0.00 N ATOM 94 CA THR A 7 7.782 -11.129 16.315 1.00 0.00 C ATOM 95 C THR A 7 7.049 -10.359 17.422 1.00 0.00 C ATOM 96 O THR A 7 5.871 -10.597 17.678 1.00 0.00 O ATOM 97 CB THR A 7 8.845 -12.086 16.924 1.00 0.00 C ATOM 98 OG1 THR A 7 9.502 -12.815 15.865 1.00 0.00 O ATOM 99 CG2 THR A 7 8.201 -13.074 17.886 1.00 0.00 C ATOM 0 H THR A 7 7.838 -10.211 14.442 1.00 0.00 H new ATOM 0 HA THR A 7 7.043 -11.736 15.791 1.00 0.00 H new ATOM 0 HB THR A 7 9.571 -11.486 17.473 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.173 -13.417 16.250 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.966 -13.732 18.298 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.716 -12.529 18.696 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.459 -13.669 17.354 1.00 0.00 H new ATOM 107 N ALA A 8 7.732 -9.428 18.036 1.00 0.00 N ATOM 108 CA ALA A 8 7.147 -8.653 19.141 1.00 0.00 C ATOM 109 C ALA A 8 6.304 -7.510 18.602 1.00 0.00 C ATOM 110 O ALA A 8 5.147 -7.296 19.015 1.00 0.00 O ATOM 111 CB ALA A 8 8.229 -8.139 20.090 1.00 0.00 C ATOM 0 H ALA A 8 8.692 -9.176 17.803 1.00 0.00 H new ATOM 0 HA ALA A 8 6.498 -9.316 19.713 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.766 -7.570 20.896 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.776 -8.983 20.510 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.918 -7.496 19.542 1.00 0.00 H new ATOM 117 N ASP A 9 6.865 -6.793 17.652 1.00 0.00 N ATOM 118 CA ASP A 9 6.159 -5.699 17.021 1.00 0.00 C ATOM 119 C ASP A 9 5.091 -6.276 16.115 1.00 0.00 C ATOM 120 O ASP A 9 4.121 -5.619 15.767 1.00 0.00 O ATOM 121 CB ASP A 9 7.125 -4.791 16.255 1.00 0.00 C ATOM 122 CG ASP A 9 8.202 -4.218 17.163 1.00 0.00 C ATOM 123 OD1 ASP A 9 7.873 -3.389 18.042 1.00 0.00 O ATOM 124 OD2 ASP A 9 9.378 -4.611 17.022 1.00 0.00 O ATOM 0 H ASP A 9 7.809 -6.948 17.299 1.00 0.00 H new ATOM 0 HA ASP A 9 5.685 -5.076 17.780 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.592 -5.356 15.448 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.568 -3.976 15.792 1.00 0.00 H new ATOM 129 N ALA A 10 5.294 -7.537 15.753 1.00 0.00 N ATOM 130 CA ALA A 10 4.327 -8.303 14.962 1.00 0.00 C ATOM 131 C ALA A 10 3.015 -8.432 15.713 1.00 0.00 C ATOM 132 O ALA A 10 1.961 -8.547 15.110 1.00 0.00 O ATOM 133 CB ALA A 10 4.861 -9.692 14.624 1.00 0.00 C ATOM 0 H ALA A 10 6.134 -8.062 15.998 1.00 0.00 H new ATOM 0 HA ALA A 10 4.161 -7.762 14.031 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.120 -10.234 14.037 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.782 -9.598 14.048 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.064 -10.238 15.545 1.00 0.00 H new ATOM 139 N GLU A 11 3.094 -8.416 17.042 1.00 0.00 N ATOM 140 CA GLU A 11 1.898 -8.464 17.877 1.00 0.00 C ATOM 141 C GLU A 11 1.114 -7.182 17.669 1.00 0.00 C ATOM 142 O GLU A 11 -0.114 -7.190 17.550 1.00 0.00 O ATOM 143 CB GLU A 11 2.271 -8.633 19.356 1.00 0.00 C ATOM 144 CG GLU A 11 2.922 -9.972 19.685 1.00 0.00 C ATOM 145 CD GLU A 11 3.511 -10.006 21.076 1.00 0.00 C ATOM 146 OE1 GLU A 11 4.746 -10.041 21.203 1.00 0.00 O ATOM 147 OE2 GLU A 11 2.742 -9.987 22.055 1.00 0.00 O ATOM 0 H GLU A 11 3.971 -8.370 17.561 1.00 0.00 H new ATOM 0 HA GLU A 11 1.288 -9.322 17.593 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.951 -7.831 19.642 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.372 -8.520 19.962 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.181 -10.765 19.589 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.707 -10.179 18.957 1.00 0.00 H new ATOM 154 N LEU A 12 1.848 -6.077 17.599 1.00 0.00 N ATOM 155 CA LEU A 12 1.255 -4.764 17.291 1.00 0.00 C ATOM 156 C LEU A 12 0.624 -4.822 15.906 1.00 0.00 C ATOM 157 O LEU A 12 -0.512 -4.378 15.686 1.00 0.00 O ATOM 158 CB LEU A 12 2.330 -3.657 17.285 1.00 0.00 C ATOM 159 CG LEU A 12 2.922 -3.207 18.632 1.00 0.00 C ATOM 160 CD1 LEU A 12 3.374 -4.387 19.476 1.00 0.00 C ATOM 161 CD2 LEU A 12 4.093 -2.283 18.376 1.00 0.00 C ATOM 0 H LEU A 12 2.857 -6.056 17.750 1.00 0.00 H new ATOM 0 HA LEU A 12 0.512 -4.534 18.055 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.154 -3.997 16.657 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.901 -2.780 16.801 1.00 0.00 H new ATOM 0 HG LEU A 12 2.142 -2.686 19.188 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.785 -4.024 20.418 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.523 -5.037 19.678 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.139 -4.947 18.938 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.517 -1.961 19.327 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.853 -2.810 17.800 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.753 -1.412 17.816 1.00 0.00 H new ATOM 173 N GLN A 13 1.379 -5.386 14.976 1.00 0.00 N ATOM 174 CA GLN A 13 0.940 -5.540 13.599 1.00 0.00 C ATOM 175 C GLN A 13 -0.227 -6.508 13.499 1.00 0.00 C ATOM 176 O GLN A 13 -0.934 -6.517 12.513 1.00 0.00 O ATOM 177 CB GLN A 13 2.101 -6.014 12.718 1.00 0.00 C ATOM 178 CG GLN A 13 3.280 -5.056 12.706 1.00 0.00 C ATOM 179 CD GLN A 13 2.927 -3.721 12.089 1.00 0.00 C ATOM 180 OE1 GLN A 13 2.427 -2.825 12.763 1.00 0.00 O ATOM 181 NE2 GLN A 13 3.205 -3.572 10.816 1.00 0.00 N ATOM 0 H GLN A 13 2.315 -5.750 15.156 1.00 0.00 H new ATOM 0 HA GLN A 13 0.602 -4.566 13.244 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.439 -6.989 13.069 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.742 -6.149 11.698 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.630 -4.901 13.727 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.104 -5.504 12.151 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.620 -4.342 10.291 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.006 -2.686 10.351 1.00 0.00 H new ATOM 190 N ARG A 14 -0.425 -7.315 14.538 1.00 0.00 N ATOM 191 CA ARG A 14 -1.526 -8.277 14.567 1.00 0.00 C ATOM 192 C ARG A 14 -2.830 -7.572 14.904 1.00 0.00 C ATOM 193 O ARG A 14 -3.914 -8.026 14.535 1.00 0.00 O ATOM 194 CB ARG A 14 -1.255 -9.403 15.572 1.00 0.00 C ATOM 195 CG ARG A 14 -2.259 -10.544 15.507 1.00 0.00 C ATOM 196 CD ARG A 14 -1.922 -11.621 16.518 1.00 0.00 C ATOM 197 NE ARG A 14 -0.555 -12.109 16.355 1.00 0.00 N ATOM 198 CZ ARG A 14 0.325 -12.239 17.353 1.00 0.00 C ATOM 199 NH1 ARG A 14 -0.018 -11.917 18.600 1.00 0.00 N ATOM 200 NH2 ARG A 14 1.547 -12.677 17.099 1.00 0.00 N ATOM 0 H ARG A 14 0.162 -7.323 15.372 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.609 -8.724 13.577 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.256 -9.801 15.395 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.259 -8.986 16.579 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.262 -10.162 15.698 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.266 -10.971 14.504 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.049 -11.226 17.526 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.620 -12.452 16.411 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.251 -12.368 15.416 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.956 -11.569 18.797 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.658 -12.018 19.357 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.815 -12.914 16.144 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.221 -12.777 17.858 1.00 0.00 H new ATOM 214 N LEU A 15 -2.715 -6.451 15.598 1.00 0.00 N ATOM 215 CA LEU A 15 -3.881 -5.647 15.951 1.00 0.00 C ATOM 216 C LEU A 15 -4.442 -4.992 14.702 1.00 0.00 C ATOM 217 O LEU A 15 -5.650 -4.950 14.487 1.00 0.00 O ATOM 218 CB LEU A 15 -3.509 -4.567 16.978 1.00 0.00 C ATOM 219 CG LEU A 15 -2.970 -5.069 18.316 1.00 0.00 C ATOM 220 CD1 LEU A 15 -2.649 -3.900 19.233 1.00 0.00 C ATOM 221 CD2 LEU A 15 -3.966 -6.012 18.976 1.00 0.00 C ATOM 0 H LEU A 15 -1.827 -6.075 15.930 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.632 -6.300 16.394 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.761 -3.912 16.531 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.392 -3.958 17.171 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.049 -5.622 18.130 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.266 -4.276 20.182 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.897 -3.266 18.764 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.554 -3.319 19.412 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.563 -6.358 19.928 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.905 -5.486 19.149 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.144 -6.867 18.324 1.00 0.00 H new ATOM 233 N LYS A 16 -3.541 -4.495 13.878 1.00 0.00 N ATOM 234 CA LYS A 16 -3.912 -3.843 12.613 1.00 0.00 C ATOM 235 C LYS A 16 -4.023 -4.872 11.499 1.00 0.00 C ATOM 236 O LYS A 16 -4.534 -4.585 10.414 1.00 0.00 O ATOM 237 CB LYS A 16 -2.891 -2.755 12.242 1.00 0.00 C ATOM 238 CG LYS A 16 -3.324 -1.847 11.100 1.00 0.00 C ATOM 239 CD LYS A 16 -2.210 -0.896 10.708 1.00 0.00 C ATOM 240 CE LYS A 16 -2.656 0.086 9.641 1.00 0.00 C ATOM 241 NZ LYS A 16 -1.523 0.904 9.145 1.00 0.00 N ATOM 0 H LYS A 16 -2.537 -4.525 14.053 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.884 -3.368 12.744 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.695 -2.143 13.122 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.950 -3.234 11.972 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.611 -2.451 10.239 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.205 -1.278 11.397 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.873 -0.348 11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.357 -1.467 10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.104 -0.458 8.810 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.428 0.740 10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.864 1.564 8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.111 1.442 9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.798 0.281 8.735 1.00 0.00 H new ATOM 255 N ASN A 17 -3.532 -6.060 11.779 1.00 0.00 N ATOM 256 CA ASN A 17 -3.526 -7.157 10.813 1.00 0.00 C ATOM 257 C ASN A 17 -4.911 -7.435 10.255 1.00 0.00 C ATOM 258 O ASN A 17 -5.857 -7.701 10.991 1.00 0.00 O ATOM 259 CB ASN A 17 -2.962 -8.436 11.438 1.00 0.00 C ATOM 260 CG ASN A 17 -2.953 -9.599 10.479 1.00 0.00 C ATOM 261 OD1 ASN A 17 -2.755 -9.428 9.272 1.00 0.00 O ATOM 262 ND2 ASN A 17 -3.196 -10.784 10.996 1.00 0.00 N ATOM 0 H ASN A 17 -3.123 -6.301 12.682 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.884 -6.843 9.990 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.946 -8.248 11.784 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.554 -8.698 12.315 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.226 -11.607 10.394 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.354 -10.880 11.999 1.00 0.00 H new ATOM 269 N GLU A 18 -5.007 -7.359 8.949 1.00 0.00 N ATOM 270 CA GLU A 18 -6.235 -7.666 8.232 1.00 0.00 C ATOM 271 C GLU A 18 -6.357 -9.183 8.000 1.00 0.00 C ATOM 272 O GLU A 18 -7.278 -9.644 7.322 1.00 0.00 O ATOM 273 CB GLU A 18 -6.246 -6.935 6.893 1.00 0.00 C ATOM 274 CG GLU A 18 -6.140 -5.426 7.018 1.00 0.00 C ATOM 275 CD GLU A 18 -5.993 -4.748 5.679 1.00 0.00 C ATOM 276 OE1 GLU A 18 -4.858 -4.379 5.319 1.00 0.00 O ATOM 277 OE2 GLU A 18 -7.009 -4.583 4.973 1.00 0.00 O ATOM 0 H GLU A 18 -4.234 -7.081 8.344 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.083 -7.336 8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.418 -7.299 6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.165 -7.183 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.028 -5.042 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.285 -5.175 7.645 1.00 0.00 H new ATOM 284 N ARG A 19 -5.401 -9.933 8.566 1.00 0.00 N ATOM 285 CA ARG A 19 -5.330 -11.399 8.472 1.00 0.00 C ATOM 286 C ARG A 19 -4.847 -11.834 7.080 1.00 0.00 C ATOM 287 O ARG A 19 -5.395 -12.751 6.470 1.00 0.00 O ATOM 288 CB ARG A 19 -6.676 -12.062 8.836 1.00 0.00 C ATOM 289 CG ARG A 19 -6.577 -13.573 9.032 1.00 0.00 C ATOM 290 CD ARG A 19 -7.881 -14.164 9.535 1.00 0.00 C ATOM 291 NE ARG A 19 -8.248 -13.643 10.855 1.00 0.00 N ATOM 292 CZ ARG A 19 -7.938 -14.235 12.017 1.00 0.00 C ATOM 293 NH1 ARG A 19 -7.236 -15.366 12.031 1.00 0.00 N ATOM 294 NH2 ARG A 19 -8.329 -13.693 13.160 1.00 0.00 N ATOM 0 H ARG A 19 -4.640 -9.530 9.113 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.599 -11.742 9.204 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.059 -11.609 9.750 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.400 -11.852 8.049 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.305 -14.045 8.088 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.780 -13.796 9.741 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.677 -13.943 8.824 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.791 -15.249 9.586 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.775 -12.771 10.892 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.930 -15.787 11.154 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.004 -15.811 12.919 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.866 -12.826 13.156 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.094 -14.143 14.045 1.00 0.00 H new ATOM 308 N HIS A 20 -3.817 -11.161 6.571 1.00 0.00 N ATOM 309 CA HIS A 20 -3.257 -11.505 5.272 1.00 0.00 C ATOM 310 C HIS A 20 -1.738 -11.647 5.345 1.00 0.00 C ATOM 311 O HIS A 20 -1.047 -11.432 4.356 1.00 0.00 O ATOM 312 CB HIS A 20 -3.637 -10.453 4.219 1.00 0.00 C ATOM 313 CG HIS A 20 -5.098 -10.434 3.875 1.00 0.00 C ATOM 314 ND1 HIS A 20 -5.651 -11.223 2.890 1.00 0.00 N ATOM 315 CD2 HIS A 20 -6.123 -9.723 4.397 1.00 0.00 C ATOM 316 CE1 HIS A 20 -6.950 -10.994 2.823 1.00 0.00 C ATOM 317 NE2 HIS A 20 -7.261 -10.090 3.728 1.00 0.00 N ATOM 0 H HIS A 20 -3.357 -10.379 7.038 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.678 -12.466 4.976 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.347 -9.468 4.584 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.063 -10.638 3.311 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.057 -8.998 5.195 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -7.640 -11.468 2.141 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.196 -9.723 3.903 1.00 0.00 H new ATOM 325 N GLU A 21 -1.223 -12.043 6.514 1.00 0.00 N ATOM 326 CA GLU A 21 0.228 -12.197 6.697 1.00 0.00 C ATOM 327 C GLU A 21 0.761 -13.279 5.772 1.00 0.00 C ATOM 328 O GLU A 21 1.802 -13.114 5.137 1.00 0.00 O ATOM 329 CB GLU A 21 0.589 -12.558 8.149 1.00 0.00 C ATOM 330 CG GLU A 21 -0.288 -11.917 9.207 1.00 0.00 C ATOM 331 CD GLU A 21 -1.484 -12.777 9.555 1.00 0.00 C ATOM 332 OE1 GLU A 21 -1.461 -13.431 10.612 1.00 0.00 O ATOM 333 OE2 GLU A 21 -2.449 -12.810 8.769 1.00 0.00 O ATOM 0 H GLU A 21 -1.780 -12.261 7.340 1.00 0.00 H new ATOM 0 HA GLU A 21 0.686 -11.237 6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.536 -13.641 8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.624 -12.269 8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.302 -11.737 10.106 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.632 -10.946 8.852 1.00 0.00 H new ATOM 340 N GLU A 22 0.037 -14.392 5.708 1.00 0.00 N ATOM 341 CA GLU A 22 0.411 -15.501 4.836 1.00 0.00 C ATOM 342 C GLU A 22 0.450 -15.030 3.385 1.00 0.00 C ATOM 343 O GLU A 22 1.366 -15.367 2.635 1.00 0.00 O ATOM 344 CB GLU A 22 -0.575 -16.674 4.990 1.00 0.00 C ATOM 345 CG GLU A 22 -0.198 -17.908 4.192 1.00 0.00 C ATOM 346 CD GLU A 22 -1.218 -19.014 4.330 1.00 0.00 C ATOM 347 OE1 GLU A 22 -1.086 -19.841 5.250 1.00 0.00 O ATOM 348 OE2 GLU A 22 -2.162 -19.061 3.512 1.00 0.00 O ATOM 0 H GLU A 22 -0.813 -14.550 6.250 1.00 0.00 H new ATOM 0 HA GLU A 22 1.402 -15.850 5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.642 -16.943 6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.567 -16.344 4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.096 -17.641 3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.775 -18.270 4.525 1.00 0.00 H new ATOM 355 N ALA A 23 -0.539 -14.224 3.010 1.00 0.00 N ATOM 356 CA ALA A 23 -0.617 -13.679 1.654 1.00 0.00 C ATOM 357 C ALA A 23 0.539 -12.721 1.385 1.00 0.00 C ATOM 358 O ALA A 23 1.077 -12.690 0.285 1.00 0.00 O ATOM 359 CB ALA A 23 -1.957 -12.981 1.413 1.00 0.00 C ATOM 0 H ALA A 23 -1.299 -13.932 3.625 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.541 -14.515 0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.984 -12.587 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.769 -13.696 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.074 -12.162 2.123 1.00 0.00 H new ATOM 365 N GLU A 24 0.916 -11.947 2.403 1.00 0.00 N ATOM 366 CA GLU A 24 2.035 -10.998 2.287 1.00 0.00 C ATOM 367 C GLU A 24 3.313 -11.736 1.890 1.00 0.00 C ATOM 368 O GLU A 24 4.013 -11.338 0.954 1.00 0.00 O ATOM 369 CB GLU A 24 2.257 -10.233 3.614 1.00 0.00 C ATOM 370 CG GLU A 24 3.379 -9.204 3.556 1.00 0.00 C ATOM 371 CD GLU A 24 3.693 -8.600 4.912 1.00 0.00 C ATOM 372 OE1 GLU A 24 2.934 -7.722 5.372 1.00 0.00 O ATOM 373 OE2 GLU A 24 4.709 -8.999 5.527 1.00 0.00 O ATOM 0 H GLU A 24 0.466 -11.955 3.319 1.00 0.00 H new ATOM 0 HA GLU A 24 1.784 -10.273 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.331 -9.730 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.478 -10.952 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.277 -9.675 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.101 -8.409 2.865 1.00 0.00 H new ATOM 380 N LEU A 25 3.591 -12.830 2.584 1.00 0.00 N ATOM 381 CA LEU A 25 4.781 -13.623 2.313 1.00 0.00 C ATOM 382 C LEU A 25 4.638 -14.385 1.001 1.00 0.00 C ATOM 383 O LEU A 25 5.585 -14.470 0.213 1.00 0.00 O ATOM 384 CB LEU A 25 5.076 -14.599 3.468 1.00 0.00 C ATOM 385 CG LEU A 25 5.889 -14.043 4.660 1.00 0.00 C ATOM 386 CD1 LEU A 25 7.251 -13.543 4.203 1.00 0.00 C ATOM 387 CD2 LEU A 25 5.132 -12.942 5.394 1.00 0.00 C ATOM 0 H LEU A 25 3.008 -13.189 3.340 1.00 0.00 H new ATOM 0 HA LEU A 25 5.622 -12.935 2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.125 -14.971 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.613 -15.455 3.060 1.00 0.00 H new ATOM 0 HG LEU A 25 6.040 -14.864 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.803 -13.157 5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.808 -14.365 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.119 -12.748 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.736 -12.577 6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.926 -12.121 4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.192 -13.339 5.776 1.00 0.00 H new ATOM 399 N GLU A 26 3.449 -14.928 0.763 1.00 0.00 N ATOM 400 CA GLU A 26 3.178 -15.683 -0.453 1.00 0.00 C ATOM 401 C GLU A 26 3.345 -14.800 -1.686 1.00 0.00 C ATOM 402 O GLU A 26 4.033 -15.169 -2.635 1.00 0.00 O ATOM 403 CB GLU A 26 1.764 -16.276 -0.413 1.00 0.00 C ATOM 404 CG GLU A 26 1.425 -17.160 -1.607 1.00 0.00 C ATOM 405 CD GLU A 26 2.343 -18.357 -1.727 1.00 0.00 C ATOM 406 OE1 GLU A 26 2.064 -19.393 -1.093 1.00 0.00 O ATOM 407 OE2 GLU A 26 3.350 -18.271 -2.460 1.00 0.00 O ATOM 0 H GLU A 26 2.655 -14.858 1.400 1.00 0.00 H new ATOM 0 HA GLU A 26 3.898 -16.499 -0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.652 -16.860 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.042 -15.461 -0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.395 -17.505 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.485 -16.568 -2.520 1.00 0.00 H new ATOM 414 N ARG A 27 2.735 -13.628 -1.651 1.00 0.00 N ATOM 415 CA ARG A 27 2.796 -12.689 -2.775 1.00 0.00 C ATOM 416 C ARG A 27 4.228 -12.240 -3.023 1.00 0.00 C ATOM 417 O ARG A 27 4.661 -12.120 -4.168 1.00 0.00 O ATOM 418 CB ARG A 27 1.885 -11.477 -2.524 1.00 0.00 C ATOM 419 CG ARG A 27 1.788 -10.511 -3.694 1.00 0.00 C ATOM 420 CD ARG A 27 0.674 -9.506 -3.468 1.00 0.00 C ATOM 421 NE ARG A 27 -0.619 -10.172 -3.295 1.00 0.00 N ATOM 422 CZ ARG A 27 -1.755 -9.561 -2.975 1.00 0.00 C ATOM 423 NH1 ARG A 27 -1.786 -8.250 -2.799 1.00 0.00 N ATOM 424 NH2 ARG A 27 -2.863 -10.273 -2.836 1.00 0.00 N ATOM 0 H ARG A 27 2.188 -13.296 -0.857 1.00 0.00 H new ATOM 0 HA ARG A 27 2.439 -13.204 -3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.885 -11.834 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.252 -10.936 -1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.736 -9.988 -3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.604 -11.064 -4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.897 -8.906 -2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.622 -8.821 -4.315 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.650 -11.182 -3.431 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.934 -7.700 -2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.662 -7.789 -2.554 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.841 -11.283 -2.974 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.739 -9.811 -2.591 1.00 0.00 H new ATOM 438 N LEU A 28 4.963 -12.018 -1.941 1.00 0.00 N ATOM 439 CA LEU A 28 6.370 -11.602 -2.026 1.00 0.00 C ATOM 440 C LEU A 28 7.198 -12.635 -2.794 1.00 0.00 C ATOM 441 O LEU A 28 8.064 -12.279 -3.590 1.00 0.00 O ATOM 442 CB LEU A 28 6.965 -11.398 -0.615 1.00 0.00 C ATOM 443 CG LEU A 28 8.421 -10.932 -0.561 1.00 0.00 C ATOM 444 CD1 LEU A 28 8.551 -9.522 -1.104 1.00 0.00 C ATOM 445 CD2 LEU A 28 8.954 -11.009 0.862 1.00 0.00 C ATOM 0 H LEU A 28 4.613 -12.118 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 28 6.406 -10.655 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.351 -10.669 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.885 -12.338 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 28 9.017 -11.596 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.594 -9.209 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.211 -9.498 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.941 -8.844 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.991 -10.674 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.354 -10.370 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.899 -12.039 1.216 1.00 0.00 H new ATOM 457 N LYS A 29 6.921 -13.912 -2.552 1.00 0.00 N ATOM 458 CA LYS A 29 7.644 -14.982 -3.236 1.00 0.00 C ATOM 459 C LYS A 29 7.086 -15.203 -4.641 1.00 0.00 C ATOM 460 O LYS A 29 7.826 -15.535 -5.566 1.00 0.00 O ATOM 461 CB LYS A 29 7.601 -16.300 -2.433 1.00 0.00 C ATOM 462 CG LYS A 29 8.452 -17.407 -3.047 1.00 0.00 C ATOM 463 CD LYS A 29 8.365 -18.730 -2.275 1.00 0.00 C ATOM 464 CE LYS A 29 9.020 -18.651 -0.894 1.00 0.00 C ATOM 465 NZ LYS A 29 8.107 -18.107 0.144 1.00 0.00 N ATOM 0 H LYS A 29 6.209 -14.231 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 29 8.685 -14.670 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.944 -16.109 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.568 -16.641 -2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.135 -17.572 -4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.492 -17.081 -3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.318 -19.011 -2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.845 -19.517 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.350 -19.646 -0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.910 -18.024 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.526 -17.251 0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.192 -17.869 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.963 -18.820 0.888 1.00 0.00 H new ATOM 479 N SER A 30 5.780 -15.011 -4.794 1.00 0.00 N ATOM 480 CA SER A 30 5.125 -15.187 -6.084 1.00 0.00 C ATOM 481 C SER A 30 5.686 -14.207 -7.112 1.00 0.00 C ATOM 482 O SER A 30 6.047 -14.595 -8.229 1.00 0.00 O ATOM 483 CB SER A 30 3.612 -14.993 -5.940 1.00 0.00 C ATOM 484 OG SER A 30 3.068 -15.898 -4.985 1.00 0.00 O ATOM 0 H SER A 30 5.154 -14.733 -4.039 1.00 0.00 H new ATOM 0 HA SER A 30 5.320 -16.201 -6.433 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.401 -13.968 -5.636 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.129 -15.145 -6.905 1.00 0.00 H new ATOM 0 HG SER A 30 3.067 -15.478 -4.100 1.00 0.00 H new ATOM 490 N GLU A 31 5.776 -12.948 -6.722 1.00 0.00 N ATOM 491 CA GLU A 31 6.305 -11.914 -7.587 1.00 0.00 C ATOM 492 C GLU A 31 7.808 -12.104 -7.757 1.00 0.00 C ATOM 493 O GLU A 31 8.487 -12.540 -6.831 1.00 0.00 O ATOM 494 CB GLU A 31 5.999 -10.541 -7.000 1.00 0.00 C ATOM 495 CG GLU A 31 4.511 -10.278 -6.805 1.00 0.00 C ATOM 496 CD GLU A 31 3.715 -10.440 -8.083 1.00 0.00 C ATOM 497 OE1 GLU A 31 3.554 -9.444 -8.820 1.00 0.00 O ATOM 498 OE2 GLU A 31 3.237 -11.564 -8.359 1.00 0.00 O ATOM 0 H GLU A 31 5.486 -12.617 -5.802 1.00 0.00 H new ATOM 0 HA GLU A 31 5.833 -11.984 -8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.505 -10.445 -6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.412 -9.775 -7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.122 -10.961 -6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.372 -9.267 -6.421 1.00 0.00 H new ATOM 505 N ARG A 32 8.331 -11.791 -8.937 1.00 0.00 N ATOM 506 CA ARG A 32 9.743 -12.010 -9.190 1.00 0.00 C ATOM 507 C ARG A 32 10.593 -10.816 -8.764 1.00 0.00 C ATOM 508 O ARG A 32 10.977 -10.721 -7.611 1.00 0.00 O ATOM 509 CB ARG A 32 10.007 -12.396 -10.649 1.00 0.00 C ATOM 510 CG ARG A 32 11.419 -12.908 -10.898 1.00 0.00 C ATOM 511 CD ARG A 32 11.568 -13.471 -12.298 1.00 0.00 C ATOM 512 NE ARG A 32 12.888 -14.061 -12.516 1.00 0.00 N ATOM 513 CZ ARG A 32 13.109 -15.170 -13.230 1.00 0.00 C ATOM 514 NH1 ARG A 32 12.090 -15.840 -13.765 1.00 0.00 N ATOM 515 NH2 ARG A 32 14.350 -15.613 -13.399 1.00 0.00 N ATOM 0 H ARG A 32 7.808 -11.393 -9.717 1.00 0.00 H new ATOM 0 HA ARG A 32 10.045 -12.855 -8.571 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.293 -13.164 -10.948 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.827 -11.529 -11.284 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.132 -12.096 -10.753 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.662 -13.679 -10.167 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.801 -14.227 -12.468 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.401 -12.678 -13.027 1.00 0.00 H new ATOM 0 HE ARG A 32 13.693 -13.596 -12.096 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.135 -15.508 -13.631 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.265 -16.685 -14.309 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.133 -15.107 -12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.520 -16.459 -13.943 1.00 0.00 H new ATOM 529 N HIS A 33 10.861 -9.888 -9.685 1.00 0.00 N ATOM 530 CA HIS A 33 11.722 -8.730 -9.379 1.00 0.00 C ATOM 531 C HIS A 33 11.094 -7.800 -8.335 1.00 0.00 C ATOM 532 O HIS A 33 11.791 -7.020 -7.687 1.00 0.00 O ATOM 533 CB HIS A 33 12.072 -7.937 -10.657 1.00 0.00 C ATOM 534 CG HIS A 33 10.930 -7.153 -11.244 1.00 0.00 C ATOM 535 ND1 HIS A 33 10.616 -5.874 -10.842 1.00 0.00 N ATOM 536 CD2 HIS A 33 10.029 -7.471 -12.205 1.00 0.00 C ATOM 537 CE1 HIS A 33 9.576 -5.440 -11.527 1.00 0.00 C ATOM 538 NE2 HIS A 33 9.203 -6.388 -12.360 1.00 0.00 N ATOM 0 H HIS A 33 10.502 -9.909 -10.640 1.00 0.00 H new ATOM 0 HA HIS A 33 12.642 -9.132 -8.954 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.887 -7.250 -10.430 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.442 -8.633 -11.410 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.972 -8.403 -12.747 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.110 -4.471 -11.422 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.424 -6.327 -13.016 1.00 0.00 H new ATOM 546 N ASP A 34 9.781 -7.892 -8.178 1.00 0.00 N ATOM 547 CA ASP A 34 9.054 -7.043 -7.229 1.00 0.00 C ATOM 548 C ASP A 34 9.402 -7.391 -5.786 1.00 0.00 C ATOM 549 O ASP A 34 9.134 -6.607 -4.874 1.00 0.00 O ATOM 550 CB ASP A 34 7.538 -7.155 -7.433 1.00 0.00 C ATOM 551 CG ASP A 34 7.077 -6.654 -8.786 1.00 0.00 C ATOM 552 OD1 ASP A 34 6.642 -5.487 -8.875 1.00 0.00 O ATOM 553 OD2 ASP A 34 7.138 -7.426 -9.768 1.00 0.00 O ATOM 0 H ASP A 34 9.192 -8.545 -8.694 1.00 0.00 H new ATOM 0 HA ASP A 34 9.362 -6.016 -7.423 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.239 -8.197 -7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.030 -6.589 -6.652 1.00 0.00 H new ATOM 558 N HIS A 35 10.012 -8.565 -5.583 1.00 0.00 N ATOM 559 CA HIS A 35 10.378 -9.031 -4.235 1.00 0.00 C ATOM 560 C HIS A 35 11.284 -8.017 -3.535 1.00 0.00 C ATOM 561 O HIS A 35 11.203 -7.832 -2.326 1.00 0.00 O ATOM 562 CB HIS A 35 11.071 -10.420 -4.277 1.00 0.00 C ATOM 563 CG HIS A 35 12.523 -10.388 -4.696 1.00 0.00 C ATOM 564 ND1 HIS A 35 12.956 -9.865 -5.899 1.00 0.00 N ATOM 565 CD2 HIS A 35 13.639 -10.801 -4.052 1.00 0.00 C ATOM 566 CE1 HIS A 35 14.270 -9.962 -5.973 1.00 0.00 C ATOM 567 NE2 HIS A 35 14.705 -10.523 -4.869 1.00 0.00 N ATOM 0 H HIS A 35 10.263 -9.210 -6.332 1.00 0.00 H new ATOM 0 HA HIS A 35 9.453 -9.131 -3.667 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.002 -10.876 -3.289 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.523 -11.064 -4.964 1.00 0.00 H new ATOM 0 HD1 HIS A 35 12.353 -9.466 -6.619 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.682 -11.263 -3.077 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.883 -9.636 -6.800 1.00 0.00 H new ATOM 575 N ASP A 36 12.137 -7.362 -4.314 1.00 0.00 N ATOM 576 CA ASP A 36 13.069 -6.372 -3.770 1.00 0.00 C ATOM 577 C ASP A 36 12.326 -5.159 -3.248 1.00 0.00 C ATOM 578 O ASP A 36 12.559 -4.712 -2.123 1.00 0.00 O ATOM 579 CB ASP A 36 14.099 -5.938 -4.824 1.00 0.00 C ATOM 580 CG ASP A 36 15.008 -4.829 -4.325 1.00 0.00 C ATOM 581 OD1 ASP A 36 16.047 -5.133 -3.705 1.00 0.00 O ATOM 582 OD2 ASP A 36 14.689 -3.639 -4.557 1.00 0.00 O ATOM 0 H ASP A 36 12.205 -7.496 -5.323 1.00 0.00 H new ATOM 0 HA ASP A 36 13.599 -6.844 -2.943 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.704 -6.798 -5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.578 -5.601 -5.720 1.00 0.00 H new ATOM 587 N LYS A 37 11.413 -4.641 -4.054 1.00 0.00 N ATOM 588 CA LYS A 37 10.656 -3.464 -3.663 1.00 0.00 C ATOM 589 C LYS A 37 9.727 -3.782 -2.507 1.00 0.00 C ATOM 590 O LYS A 37 9.723 -3.084 -1.509 1.00 0.00 O ATOM 591 CB LYS A 37 9.843 -2.880 -4.831 1.00 0.00 C ATOM 592 CG LYS A 37 9.151 -1.578 -4.465 1.00 0.00 C ATOM 593 CD LYS A 37 8.118 -1.165 -5.493 1.00 0.00 C ATOM 594 CE LYS A 37 7.478 0.168 -5.121 1.00 0.00 C ATOM 595 NZ LYS A 37 6.925 0.160 -3.737 1.00 0.00 N ATOM 0 H LYS A 37 11.180 -5.013 -4.975 1.00 0.00 H new ATOM 0 HA LYS A 37 11.383 -2.714 -3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.504 -2.710 -5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.096 -3.608 -5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.670 -1.686 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.896 -0.789 -4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.587 -1.086 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.348 -1.933 -5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.219 0.962 -5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.680 0.396 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.142 0.841 -3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.576 -0.793 -3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.671 0.426 -3.063 1.00 0.00 H new ATOM 609 N LYS A 38 8.963 -4.860 -2.640 1.00 0.00 N ATOM 610 CA LYS A 38 7.980 -5.242 -1.612 1.00 0.00 C ATOM 611 C LYS A 38 8.644 -5.568 -0.285 1.00 0.00 C ATOM 612 O LYS A 38 8.062 -5.348 0.778 1.00 0.00 O ATOM 613 CB LYS A 38 7.088 -6.413 -2.076 1.00 0.00 C ATOM 614 CG LYS A 38 5.893 -5.985 -2.924 1.00 0.00 C ATOM 615 CD LYS A 38 6.306 -5.142 -4.120 1.00 0.00 C ATOM 616 CE LYS A 38 5.098 -4.591 -4.852 1.00 0.00 C ATOM 617 NZ LYS A 38 4.225 -3.794 -3.952 1.00 0.00 N ATOM 0 H LYS A 38 8.999 -5.488 -3.443 1.00 0.00 H new ATOM 0 HA LYS A 38 7.339 -4.373 -1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.695 -7.114 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.725 -6.949 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.362 -6.871 -3.273 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.196 -5.418 -2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.938 -4.319 -3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.903 -5.745 -4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.429 -3.968 -5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.525 -5.414 -5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.656 -3.132 -4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.594 -4.432 -3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.813 -3.260 -3.281 1.00 0.00 H new ATOM 631 N GLU A 39 9.867 -6.072 -0.348 1.00 0.00 N ATOM 632 CA GLU A 39 10.613 -6.404 0.864 1.00 0.00 C ATOM 633 C GLU A 39 10.829 -5.148 1.697 1.00 0.00 C ATOM 634 O GLU A 39 10.511 -5.112 2.890 1.00 0.00 O ATOM 635 CB GLU A 39 11.967 -7.041 0.531 1.00 0.00 C ATOM 636 CG GLU A 39 12.665 -7.644 1.734 1.00 0.00 C ATOM 637 CD GLU A 39 11.913 -8.829 2.298 1.00 0.00 C ATOM 638 OE1 GLU A 39 12.318 -9.972 2.018 1.00 0.00 O ATOM 639 OE2 GLU A 39 10.918 -8.621 3.022 1.00 0.00 O ATOM 0 H GLU A 39 10.365 -6.261 -1.218 1.00 0.00 H new ATOM 0 HA GLU A 39 10.028 -7.128 1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.819 -7.817 -0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.615 -6.286 0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.670 -7.956 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.774 -6.884 2.507 1.00 0.00 H new ATOM 646 N ALA A 40 11.350 -4.115 1.052 1.00 0.00 N ATOM 647 CA ALA A 40 11.603 -2.842 1.720 1.00 0.00 C ATOM 648 C ALA A 40 10.303 -2.078 1.934 1.00 0.00 C ATOM 649 O ALA A 40 10.151 -1.363 2.923 1.00 0.00 O ATOM 650 CB ALA A 40 12.593 -1.997 0.927 1.00 0.00 C ATOM 0 H ALA A 40 11.607 -4.131 0.065 1.00 0.00 H new ATOM 0 HA ALA A 40 12.042 -3.056 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.764 -1.054 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.536 -2.535 0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.188 -1.797 -0.065 1.00 0.00 H new ATOM 656 N GLU A 41 9.371 -2.247 1.001 1.00 0.00 N ATOM 657 CA GLU A 41 8.062 -1.587 1.069 1.00 0.00 C ATOM 658 C GLU A 41 7.365 -1.917 2.387 1.00 0.00 C ATOM 659 O GLU A 41 6.884 -1.021 3.088 1.00 0.00 O ATOM 660 CB GLU A 41 7.173 -2.006 -0.125 1.00 0.00 C ATOM 661 CG GLU A 41 5.901 -1.194 -0.277 1.00 0.00 C ATOM 662 CD GLU A 41 5.019 -1.708 -1.395 1.00 0.00 C ATOM 663 OE1 GLU A 41 3.849 -2.053 -1.121 1.00 0.00 O ATOM 664 OE2 GLU A 41 5.491 -1.780 -2.554 1.00 0.00 O ATOM 0 H GLU A 41 9.496 -2.840 0.180 1.00 0.00 H new ATOM 0 HA GLU A 41 8.222 -0.510 1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.755 -1.921 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.907 -3.057 -0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.345 -1.216 0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.159 -0.153 -0.471 1.00 0.00 H new ATOM 671 N ARG A 42 7.331 -3.201 2.735 1.00 0.00 N ATOM 672 CA ARG A 42 6.709 -3.624 3.979 1.00 0.00 C ATOM 673 C ARG A 42 7.639 -3.352 5.160 1.00 0.00 C ATOM 674 O ARG A 42 7.190 -2.969 6.232 1.00 0.00 O ATOM 675 CB ARG A 42 6.315 -5.115 3.929 1.00 0.00 C ATOM 676 CG ARG A 42 7.490 -6.076 3.817 1.00 0.00 C ATOM 677 CD ARG A 42 7.034 -7.525 3.831 1.00 0.00 C ATOM 678 NE ARG A 42 8.167 -8.454 3.836 1.00 0.00 N ATOM 679 CZ ARG A 42 8.193 -9.614 4.499 1.00 0.00 C ATOM 680 NH1 ARG A 42 7.124 -10.032 5.178 1.00 0.00 N ATOM 681 NH2 ARG A 42 9.293 -10.361 4.467 1.00 0.00 N ATOM 0 H ARG A 42 7.724 -3.958 2.176 1.00 0.00 H new ATOM 0 HA ARG A 42 5.796 -3.043 4.113 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.748 -5.358 4.828 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.650 -5.274 3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.037 -5.876 2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.181 -5.904 4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.415 -7.702 4.711 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.410 -7.718 2.958 1.00 0.00 H new ATOM 0 HE ARG A 42 8.993 -8.198 3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.276 -9.465 5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.154 -10.919 5.681 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.108 -10.047 3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.322 -11.248 4.970 1.00 0.00 H new ATOM 695 N LYS A 43 8.945 -3.520 4.937 1.00 0.00 N ATOM 696 CA LYS A 43 9.945 -3.307 5.994 1.00 0.00 C ATOM 697 C LYS A 43 9.865 -1.891 6.530 1.00 0.00 C ATOM 698 O LYS A 43 9.886 -1.678 7.731 1.00 0.00 O ATOM 699 CB LYS A 43 11.370 -3.580 5.486 1.00 0.00 C ATOM 700 CG LYS A 43 12.441 -3.419 6.555 1.00 0.00 C ATOM 701 CD LYS A 43 13.834 -3.533 5.963 1.00 0.00 C ATOM 702 CE LYS A 43 14.912 -3.391 7.030 1.00 0.00 C ATOM 703 NZ LYS A 43 14.828 -2.091 7.742 1.00 0.00 N ATOM 0 H LYS A 43 9.337 -3.802 4.038 1.00 0.00 H new ATOM 0 HA LYS A 43 9.721 -4.011 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.416 -4.593 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.588 -2.902 4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.329 -2.450 7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.307 -4.180 7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.940 -4.496 5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.971 -2.764 5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.818 -4.204 7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.894 -3.487 6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.688 -1.949 8.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.739 -1.321 7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.997 -2.091 8.368 1.00 0.00 H new ATOM 717 N ALA A 44 9.758 -0.928 5.624 1.00 0.00 N ATOM 718 CA ALA A 44 9.679 0.485 6.001 1.00 0.00 C ATOM 719 C ALA A 44 8.478 0.754 6.900 1.00 0.00 C ATOM 720 O ALA A 44 8.517 1.645 7.745 1.00 0.00 O ATOM 721 CB ALA A 44 9.631 1.383 4.766 1.00 0.00 C ATOM 0 H ALA A 44 9.723 -1.096 4.619 1.00 0.00 H new ATOM 0 HA ALA A 44 10.583 0.722 6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.573 2.426 5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.531 1.232 4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.755 1.133 4.168 1.00 0.00 H new ATOM 727 N LEU A 45 7.417 -0.017 6.712 1.00 0.00 N ATOM 728 CA LEU A 45 6.225 0.127 7.529 1.00 0.00 C ATOM 729 C LEU A 45 6.456 -0.460 8.921 1.00 0.00 C ATOM 730 O LEU A 45 6.287 0.234 9.926 1.00 0.00 O ATOM 731 CB LEU A 45 5.009 -0.535 6.850 1.00 0.00 C ATOM 732 CG LEU A 45 3.691 -0.485 7.636 1.00 0.00 C ATOM 733 CD1 LEU A 45 3.249 0.952 7.863 1.00 0.00 C ATOM 734 CD2 LEU A 45 2.609 -1.269 6.910 1.00 0.00 C ATOM 0 H LEU A 45 7.359 -0.747 6.002 1.00 0.00 H new ATOM 0 HA LEU A 45 6.011 1.190 7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.852 -0.056 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.252 -1.579 6.652 1.00 0.00 H new ATOM 0 HG LEU A 45 3.858 -0.945 8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.313 0.961 8.422 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.014 1.483 8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.102 1.444 6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.682 -1.223 7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.449 -0.838 5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.920 -2.308 6.806 1.00 0.00 H new ATOM 746 N GLU A 46 6.883 -1.725 8.972 1.00 0.00 N ATOM 747 CA GLU A 46 7.129 -2.408 10.245 1.00 0.00 C ATOM 748 C GLU A 46 8.207 -1.662 11.040 1.00 0.00 C ATOM 749 O GLU A 46 8.138 -1.547 12.268 1.00 0.00 O ATOM 750 CB GLU A 46 7.590 -3.862 10.007 1.00 0.00 C ATOM 751 CG GLU A 46 6.916 -4.581 8.832 1.00 0.00 C ATOM 752 CD GLU A 46 5.403 -4.641 8.930 1.00 0.00 C ATOM 753 OE1 GLU A 46 4.877 -5.588 9.553 1.00 0.00 O ATOM 754 OE2 GLU A 46 4.736 -3.766 8.363 1.00 0.00 O ATOM 0 H GLU A 46 7.065 -2.296 8.147 1.00 0.00 H new ATOM 0 HA GLU A 46 6.196 -2.420 10.809 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.667 -3.861 9.841 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.408 -4.436 10.915 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.190 -4.076 7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.306 -5.597 8.769 1.00 0.00 H new ATOM 761 N ASP A 47 9.194 -1.148 10.313 1.00 0.00 N ATOM 762 CA ASP A 47 10.315 -0.401 10.903 1.00 0.00 C ATOM 763 C ASP A 47 9.822 0.827 11.662 1.00 0.00 C ATOM 764 O ASP A 47 10.289 1.117 12.763 1.00 0.00 O ATOM 765 CB ASP A 47 11.315 0.025 9.813 1.00 0.00 C ATOM 766 CG ASP A 47 12.528 0.732 10.366 1.00 0.00 C ATOM 767 OD1 ASP A 47 13.459 0.044 10.837 1.00 0.00 O ATOM 768 OD2 ASP A 47 12.569 1.974 10.312 1.00 0.00 O ATOM 0 H ASP A 47 9.245 -1.234 9.298 1.00 0.00 H new ATOM 0 HA ASP A 47 10.818 -1.063 11.608 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.637 -0.857 9.259 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.812 0.681 9.103 1.00 0.00 H new ATOM 773 N LYS A 48 8.871 1.539 11.072 1.00 0.00 N ATOM 774 CA LYS A 48 8.316 2.737 11.702 1.00 0.00 C ATOM 775 C LYS A 48 7.480 2.388 12.927 1.00 0.00 C ATOM 776 O LYS A 48 7.324 3.204 13.834 1.00 0.00 O ATOM 777 CB LYS A 48 7.505 3.566 10.703 1.00 0.00 C ATOM 778 CG LYS A 48 8.356 4.149 9.590 1.00 0.00 C ATOM 779 CD LYS A 48 7.531 4.956 8.608 1.00 0.00 C ATOM 780 CE LYS A 48 8.404 5.522 7.497 1.00 0.00 C ATOM 781 NZ LYS A 48 9.082 4.450 6.721 1.00 0.00 N ATOM 0 H LYS A 48 8.467 1.312 10.163 1.00 0.00 H new ATOM 0 HA LYS A 48 9.156 3.345 12.038 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.726 2.940 10.268 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.004 4.376 11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.131 4.784 10.020 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.863 3.342 9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.752 4.326 8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.030 5.770 9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.792 6.124 6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.153 6.187 7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.093 4.432 6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.654 3.531 6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.974 4.637 5.704 1.00 0.00 H new ATOM 795 N LEU A 49 6.945 1.178 12.954 1.00 0.00 N ATOM 796 CA LEU A 49 6.196 0.718 14.126 1.00 0.00 C ATOM 797 C LEU A 49 7.151 0.413 15.265 1.00 0.00 C ATOM 798 O LEU A 49 6.838 0.644 16.434 1.00 0.00 O ATOM 799 CB LEU A 49 5.314 -0.512 13.816 1.00 0.00 C ATOM 800 CG LEU A 49 3.903 -0.216 13.279 1.00 0.00 C ATOM 801 CD1 LEU A 49 3.082 0.529 14.317 1.00 0.00 C ATOM 802 CD2 LEU A 49 3.955 0.571 11.979 1.00 0.00 C ATOM 0 H LEU A 49 7.010 0.501 12.194 1.00 0.00 H new ATOM 0 HA LEU A 49 5.524 1.524 14.421 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.835 -1.133 13.087 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.217 -1.103 14.727 1.00 0.00 H new ATOM 0 HG LEU A 49 3.422 -1.172 13.071 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.087 0.729 13.919 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.997 -0.079 15.218 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.572 1.472 14.560 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.941 0.762 11.629 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.465 1.519 12.148 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.496 -0.004 11.227 1.00 0.00 H new ATOM 814 N ALA A 50 8.324 -0.098 14.913 1.00 0.00 N ATOM 815 CA ALA A 50 9.363 -0.375 15.888 1.00 0.00 C ATOM 816 C ALA A 50 9.938 0.933 16.428 1.00 0.00 C ATOM 817 O ALA A 50 10.215 1.062 17.624 1.00 0.00 O ATOM 818 CB ALA A 50 10.461 -1.223 15.262 1.00 0.00 C ATOM 0 H ALA A 50 8.577 -0.329 13.952 1.00 0.00 H new ATOM 0 HA ALA A 50 8.928 -0.932 16.718 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.234 -1.423 16.004 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.039 -2.166 14.914 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.898 -0.688 14.419 1.00 0.00 H new ATOM 824 N ASP A 51 10.120 1.895 15.535 1.00 0.00 N ATOM 825 CA ASP A 51 10.611 3.220 15.903 1.00 0.00 C ATOM 826 C ASP A 51 10.205 4.243 14.867 1.00 0.00 C ATOM 827 O ASP A 51 10.523 4.102 13.685 1.00 0.00 O ATOM 828 CB ASP A 51 12.136 3.237 16.066 1.00 0.00 C ATOM 829 CG ASP A 51 12.662 4.639 16.336 1.00 0.00 C ATOM 830 OD1 ASP A 51 12.390 5.179 17.425 1.00 0.00 O ATOM 831 OD2 ASP A 51 13.345 5.210 15.459 1.00 0.00 O ATOM 0 H ASP A 51 9.933 1.783 14.539 1.00 0.00 H new ATOM 0 HA ASP A 51 10.161 3.474 16.863 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.421 2.578 16.886 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.602 2.842 15.163 1.00 0.00 H new ATOM 836 N TYR A 52 9.496 5.259 15.306 1.00 0.00 N ATOM 837 CA TYR A 52 9.062 6.325 14.430 1.00 0.00 C ATOM 838 C TYR A 52 10.161 7.377 14.303 1.00 0.00 C ATOM 839 O TYR A 52 10.692 7.552 13.193 1.00 0.00 O ATOM 840 CB TYR A 52 7.770 6.960 14.962 1.00 0.00 C ATOM 841 CG TYR A 52 7.219 8.055 14.078 1.00 0.00 C ATOM 842 CD1 TYR A 52 6.417 7.754 12.987 1.00 0.00 C ATOM 843 CD2 TYR A 52 7.509 9.389 14.332 1.00 0.00 C ATOM 844 CE1 TYR A 52 5.921 8.750 12.172 1.00 0.00 C ATOM 845 CE2 TYR A 52 7.014 10.390 13.524 1.00 0.00 C ATOM 846 CZ TYR A 52 6.222 10.066 12.447 1.00 0.00 C ATOM 847 OH TYR A 52 5.740 11.064 11.630 1.00 0.00 O ATOM 848 OXT TYR A 52 10.511 8.004 15.331 1.00 0.00 O ATOM 0 H TYR A 52 9.205 5.370 16.277 1.00 0.00 H new ATOM 0 HA TYR A 52 8.860 5.909 13.443 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.014 6.183 15.075 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.959 7.368 15.955 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.177 6.723 12.772 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.132 9.646 15.176 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.301 8.500 11.324 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.247 11.423 13.735 1.00 0.00 H new ATOM 0 HH TYR A 52 6.043 11.934 11.963 1.00 0.00 H new TER 858 TYR A 52