USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 839 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 THR OG1 : rot 81:sc= 0.45 USER MOD Set 1.2: A 83 ASN :FLIP amide:sc= -0.485 F(o=-2.1!,f=-0.035) USER MOD Set 2.1: A 20 GLN : amide:sc= -3.37 K(o=-24,f=-30!) USER MOD Set 2.2: A 24 HIS : no HD1:sc= -16.5! C(o=-24!,f=-36!) USER MOD Set 2.3: A 62 CYS SG : rot 79:sc= -4.2! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc=-0.00345 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= -1.27! (180deg=-2.13!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -6.21! C(o=-8.4!,f=-6.2!) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.202) USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= -0.0322 (180deg=-0.281) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -0.0188 (180deg=-0.236) USER MOD Single : A 28 LYS NZ :NH3+ 125:sc= -0.259 (180deg=-1.35!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.71 K(o=-2.7,f=-5.1!) USER MOD Single : A 32 GLN : amide:sc= -1.92 X(o=-1.9,f=-1.9) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -110:sc= -0.825 USER MOD Single : A 46 THR OG1 : rot -36:sc= 0.762 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.06! C(o=-2.1!,f=-2.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= -0.0491 (180deg=-0.396) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0654 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.044) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -23.339 -11.306 6.941 1.00 0.00 N ATOM 2 CA ALA A 1 -21.941 -11.739 7.220 1.00 0.00 C ATOM 3 C ALA A 1 -21.561 -12.881 6.276 1.00 0.00 C ATOM 4 O ALA A 1 -22.051 -13.986 6.394 1.00 0.00 O ATOM 5 CB ALA A 1 -21.834 -12.218 8.669 1.00 0.00 C ATOM 0 H1 ALA A 1 -23.597 -10.530 7.583 1.00 0.00 H new ATOM 0 H2 ALA A 1 -23.411 -10.979 5.956 1.00 0.00 H new ATOM 0 H3 ALA A 1 -23.986 -12.106 7.089 1.00 0.00 H new ATOM 0 HA ALA A 1 -21.264 -10.899 7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -20.811 -12.535 8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -22.103 -11.404 9.342 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -22.512 -13.057 8.826 1.00 0.00 H new ATOM 11 N GLY A 2 -20.691 -12.622 5.337 1.00 0.00 N ATOM 12 CA GLY A 2 -20.281 -13.694 4.385 1.00 0.00 C ATOM 13 C GLY A 2 -19.811 -13.060 3.075 1.00 0.00 C ATOM 14 O GLY A 2 -20.477 -13.143 2.062 1.00 0.00 O ATOM 0 H GLY A 2 -20.247 -11.716 5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -19.481 -14.294 4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -21.117 -14.367 4.196 1.00 0.00 H new ATOM 18 N TYR A 3 -18.670 -12.428 3.085 1.00 0.00 N ATOM 19 CA TYR A 3 -18.161 -11.791 1.838 1.00 0.00 C ATOM 20 C TYR A 3 -17.597 -12.874 0.911 1.00 0.00 C ATOM 21 O TYR A 3 -16.932 -13.791 1.348 1.00 0.00 O ATOM 22 CB TYR A 3 -17.066 -10.775 2.196 1.00 0.00 C ATOM 23 CG TYR A 3 -15.708 -11.442 2.173 1.00 0.00 C ATOM 24 CD1 TYR A 3 -15.384 -12.402 3.138 1.00 0.00 C ATOM 25 CD2 TYR A 3 -14.777 -11.101 1.183 1.00 0.00 C ATOM 26 CE1 TYR A 3 -14.129 -13.020 3.114 1.00 0.00 C ATOM 27 CE2 TYR A 3 -13.523 -11.720 1.159 1.00 0.00 C ATOM 28 CZ TYR A 3 -13.198 -12.680 2.125 1.00 0.00 C ATOM 29 OH TYR A 3 -11.961 -13.291 2.101 1.00 0.00 O ATOM 0 H TYR A 3 -18.068 -12.325 3.902 1.00 0.00 H new ATOM 0 HA TYR A 3 -18.972 -11.272 1.327 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -17.084 -9.945 1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -17.257 -10.356 3.184 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -16.102 -12.666 3.901 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -15.028 -10.360 0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -13.878 -13.760 3.859 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.806 -11.458 0.396 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.438 -12.941 1.350 1.00 0.00 H new ATOM 39 N THR A 4 -17.859 -12.774 -0.365 1.00 0.00 N ATOM 40 CA THR A 4 -17.340 -13.798 -1.319 1.00 0.00 C ATOM 41 C THR A 4 -16.900 -13.112 -2.614 1.00 0.00 C ATOM 42 O THR A 4 -16.789 -11.904 -2.681 1.00 0.00 O ATOM 43 CB THR A 4 -18.445 -14.810 -1.631 1.00 0.00 C ATOM 44 OG1 THR A 4 -19.369 -14.235 -2.543 1.00 0.00 O ATOM 45 CG2 THR A 4 -19.171 -15.189 -0.339 1.00 0.00 C ATOM 0 H THR A 4 -18.410 -12.027 -0.788 1.00 0.00 H new ATOM 0 HA THR A 4 -16.489 -14.313 -0.872 1.00 0.00 H new ATOM 0 HB THR A 4 -18.005 -15.703 -2.074 1.00 0.00 H new ATOM 0 HG1 THR A 4 -20.076 -14.883 -2.745 1.00 0.00 H new ATOM 0 HG21 THR A 4 -19.958 -15.910 -0.562 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.462 -15.631 0.361 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.612 -14.297 0.106 1.00 0.00 H new ATOM 53 N GLU A 5 -16.648 -13.874 -3.643 1.00 0.00 N ATOM 54 CA GLU A 5 -16.214 -13.266 -4.933 1.00 0.00 C ATOM 55 C GLU A 5 -17.135 -12.094 -5.281 1.00 0.00 C ATOM 56 O GLU A 5 -16.684 -11.012 -5.597 1.00 0.00 O ATOM 57 CB GLU A 5 -16.284 -14.318 -6.042 1.00 0.00 C ATOM 58 CG GLU A 5 -15.208 -15.380 -5.806 1.00 0.00 C ATOM 59 CD GLU A 5 -15.239 -16.399 -6.947 1.00 0.00 C ATOM 60 OE1 GLU A 5 -14.927 -16.019 -8.063 1.00 0.00 O ATOM 61 OE2 GLU A 5 -15.573 -17.543 -6.685 1.00 0.00 O ATOM 0 H GLU A 5 -16.724 -14.891 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.189 -12.906 -4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.270 -14.781 -6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.138 -13.847 -7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.226 -14.911 -5.749 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.378 -15.880 -4.853 1.00 0.00 H new ATOM 68 N ILE A 6 -18.421 -12.303 -5.227 1.00 0.00 N ATOM 69 CA ILE A 6 -19.368 -11.199 -5.556 1.00 0.00 C ATOM 70 C ILE A 6 -19.116 -10.017 -4.618 1.00 0.00 C ATOM 71 O ILE A 6 -18.875 -8.909 -5.054 1.00 0.00 O ATOM 72 CB ILE A 6 -20.806 -11.691 -5.384 1.00 0.00 C ATOM 73 CG1 ILE A 6 -21.102 -12.772 -6.427 1.00 0.00 C ATOM 74 CG2 ILE A 6 -21.773 -10.521 -5.576 1.00 0.00 C ATOM 75 CD1 ILE A 6 -22.401 -13.493 -6.060 1.00 0.00 C ATOM 0 H ILE A 6 -18.857 -13.188 -4.970 1.00 0.00 H new ATOM 0 HA ILE A 6 -19.215 -10.883 -6.588 1.00 0.00 H new ATOM 0 HB ILE A 6 -20.931 -12.105 -4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -21.190 -12.323 -7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -20.278 -13.484 -6.472 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -22.798 -10.872 -5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -21.563 -9.750 -4.835 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -21.649 -10.107 -6.576 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -22.612 -14.263 -6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -22.296 -13.955 -5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -23.221 -12.776 -6.038 1.00 0.00 H new ATOM 87 N GLU A 7 -19.170 -10.242 -3.334 1.00 0.00 N ATOM 88 CA GLU A 7 -18.932 -9.127 -2.376 1.00 0.00 C ATOM 89 C GLU A 7 -17.605 -8.447 -2.717 1.00 0.00 C ATOM 90 O GLU A 7 -17.542 -7.250 -2.921 1.00 0.00 O ATOM 91 CB GLU A 7 -18.876 -9.683 -0.947 1.00 0.00 C ATOM 92 CG GLU A 7 -19.329 -8.605 0.044 1.00 0.00 C ATOM 93 CD GLU A 7 -20.834 -8.377 -0.102 1.00 0.00 C ATOM 94 OE1 GLU A 7 -21.588 -9.124 0.498 1.00 0.00 O ATOM 95 OE2 GLU A 7 -21.207 -7.457 -0.812 1.00 0.00 O ATOM 0 H GLU A 7 -19.368 -11.147 -2.908 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.742 -8.401 -2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.517 -10.561 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.862 -10.005 -0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -19.094 -8.911 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.790 -7.676 -0.142 1.00 0.00 H new ATOM 102 N LYS A 8 -16.544 -9.203 -2.781 1.00 0.00 N ATOM 103 CA LYS A 8 -15.218 -8.608 -3.109 1.00 0.00 C ATOM 104 C LYS A 8 -15.352 -7.724 -4.352 1.00 0.00 C ATOM 105 O LYS A 8 -14.799 -6.648 -4.416 1.00 0.00 O ATOM 106 CB LYS A 8 -14.210 -9.736 -3.376 1.00 0.00 C ATOM 107 CG LYS A 8 -13.091 -9.700 -2.331 1.00 0.00 C ATOM 108 CD LYS A 8 -12.238 -10.967 -2.451 1.00 0.00 C ATOM 109 CE LYS A 8 -10.886 -10.742 -1.769 1.00 0.00 C ATOM 110 NZ LYS A 8 -11.084 -9.959 -0.517 1.00 0.00 N ATOM 0 H LYS A 8 -16.538 -10.210 -2.620 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.868 -8.001 -2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.716 -10.701 -3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.788 -9.629 -4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.470 -8.816 -2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.516 -9.629 -1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.753 -11.810 -1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.090 -11.220 -3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.418 -11.700 -1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.212 -10.210 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.263 -10.090 0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.184 -8.951 -0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.943 -10.290 -0.033 1.00 0.00 H new ATOM 124 N LEU A 9 -16.078 -8.165 -5.341 1.00 0.00 N ATOM 125 CA LEU A 9 -16.231 -7.338 -6.570 1.00 0.00 C ATOM 126 C LEU A 9 -16.998 -6.057 -6.230 1.00 0.00 C ATOM 127 O LEU A 9 -16.655 -4.978 -6.673 1.00 0.00 O ATOM 128 CB LEU A 9 -17.004 -8.134 -7.628 1.00 0.00 C ATOM 129 CG LEU A 9 -16.055 -9.105 -8.345 1.00 0.00 C ATOM 130 CD1 LEU A 9 -16.848 -10.304 -8.871 1.00 0.00 C ATOM 131 CD2 LEU A 9 -15.380 -8.392 -9.523 1.00 0.00 C ATOM 0 H LEU A 9 -16.570 -9.058 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.247 -7.078 -6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -17.817 -8.687 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.456 -7.454 -8.350 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.296 -9.448 -7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.173 -10.992 -9.380 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.328 -10.817 -8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.609 -9.958 -9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.707 -9.084 -10.030 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -16.140 -8.047 -10.223 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.812 -7.538 -9.154 1.00 0.00 H new ATOM 143 N GLU A 10 -18.036 -6.168 -5.448 1.00 0.00 N ATOM 144 CA GLU A 10 -18.830 -4.962 -5.081 1.00 0.00 C ATOM 145 C GLU A 10 -17.930 -3.935 -4.386 1.00 0.00 C ATOM 146 O GLU A 10 -17.840 -2.795 -4.797 1.00 0.00 O ATOM 147 CB GLU A 10 -19.966 -5.372 -4.137 1.00 0.00 C ATOM 148 CG GLU A 10 -21.101 -4.348 -4.218 1.00 0.00 C ATOM 149 CD GLU A 10 -21.894 -4.566 -5.508 1.00 0.00 C ATOM 150 OE1 GLU A 10 -21.550 -5.475 -6.246 1.00 0.00 O ATOM 151 OE2 GLU A 10 -22.830 -3.819 -5.738 1.00 0.00 O ATOM 0 H GLU A 10 -18.369 -7.044 -5.046 1.00 0.00 H new ATOM 0 HA GLU A 10 -19.246 -4.516 -5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -20.336 -6.361 -4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.595 -5.438 -3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.758 -4.448 -3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.695 -3.337 -4.195 1.00 0.00 H new ATOM 158 N ILE A 11 -17.270 -4.328 -3.330 1.00 0.00 N ATOM 159 CA ILE A 11 -16.384 -3.369 -2.606 1.00 0.00 C ATOM 160 C ILE A 11 -15.161 -3.037 -3.464 1.00 0.00 C ATOM 161 O ILE A 11 -14.959 -1.905 -3.850 1.00 0.00 O ATOM 162 CB ILE A 11 -15.923 -3.990 -1.276 1.00 0.00 C ATOM 163 CG1 ILE A 11 -15.877 -5.520 -1.398 1.00 0.00 C ATOM 164 CG2 ILE A 11 -16.896 -3.598 -0.160 1.00 0.00 C ATOM 165 CD1 ILE A 11 -14.789 -6.076 -0.472 1.00 0.00 C ATOM 0 H ILE A 11 -17.305 -5.269 -2.938 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.942 -2.454 -2.406 1.00 0.00 H new ATOM 0 HB ILE A 11 -14.926 -3.619 -1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.845 -5.945 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.673 -5.807 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -16.567 -4.039 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -16.920 -2.513 -0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -17.894 -3.963 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.757 -7.162 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.822 -5.661 -0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.013 -5.801 0.559 1.00 0.00 H new ATOM 177 N VAL A 12 -14.341 -4.013 -3.752 1.00 0.00 N ATOM 178 CA VAL A 12 -13.118 -3.762 -4.572 1.00 0.00 C ATOM 179 C VAL A 12 -13.424 -2.774 -5.694 1.00 0.00 C ATOM 180 O VAL A 12 -12.611 -1.934 -6.022 1.00 0.00 O ATOM 181 CB VAL A 12 -12.621 -5.077 -5.174 1.00 0.00 C ATOM 182 CG1 VAL A 12 -11.379 -4.809 -6.027 1.00 0.00 C ATOM 183 CG2 VAL A 12 -12.265 -6.056 -4.047 1.00 0.00 C ATOM 0 H VAL A 12 -14.466 -4.980 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.347 -3.339 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.404 -5.510 -5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.024 -5.746 -6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.631 -4.115 -6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.596 -4.376 -5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.911 -6.993 -4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.482 -5.624 -3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.149 -6.247 -3.439 1.00 0.00 H new ATOM 193 N LYS A 13 -14.571 -2.862 -6.300 1.00 0.00 N ATOM 194 CA LYS A 13 -14.885 -1.911 -7.398 1.00 0.00 C ATOM 195 C LYS A 13 -15.375 -0.580 -6.819 1.00 0.00 C ATOM 196 O LYS A 13 -15.019 0.481 -7.294 1.00 0.00 O ATOM 197 CB LYS A 13 -15.962 -2.511 -8.308 1.00 0.00 C ATOM 198 CG LYS A 13 -16.240 -1.562 -9.488 1.00 0.00 C ATOM 199 CD LYS A 13 -17.537 -0.786 -9.238 1.00 0.00 C ATOM 200 CE LYS A 13 -17.714 0.276 -10.325 1.00 0.00 C ATOM 201 NZ LYS A 13 -18.824 1.193 -9.946 1.00 0.00 N ATOM 0 H LYS A 13 -15.299 -3.544 -6.086 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.982 -1.730 -7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.636 -3.482 -8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.878 -2.678 -7.741 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.409 -0.868 -9.612 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.320 -2.132 -10.414 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.387 -1.468 -9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.508 -0.315 -8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.790 0.839 -10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.931 -0.200 -11.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.945 1.915 -10.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.705 0.649 -9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.599 1.656 -9.042 1.00 0.00 H new ATOM 215 N ASP A 14 -16.195 -0.620 -5.804 1.00 0.00 N ATOM 216 CA ASP A 14 -16.708 0.649 -5.211 1.00 0.00 C ATOM 217 C ASP A 14 -15.593 1.349 -4.429 1.00 0.00 C ATOM 218 O ASP A 14 -15.070 2.361 -4.848 1.00 0.00 O ATOM 219 CB ASP A 14 -17.872 0.335 -4.269 1.00 0.00 C ATOM 220 CG ASP A 14 -18.572 1.637 -3.870 1.00 0.00 C ATOM 221 OD1 ASP A 14 -19.020 2.342 -4.759 1.00 0.00 O ATOM 222 OD2 ASP A 14 -18.647 1.904 -2.682 1.00 0.00 O ATOM 0 H ASP A 14 -16.532 -1.474 -5.360 1.00 0.00 H new ATOM 0 HA ASP A 14 -17.050 1.306 -6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -18.579 -0.335 -4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.506 -0.181 -3.381 1.00 0.00 H new ATOM 227 N HIS A 15 -15.235 0.817 -3.292 1.00 0.00 N ATOM 228 CA HIS A 15 -14.161 1.438 -2.461 1.00 0.00 C ATOM 229 C HIS A 15 -13.023 1.955 -3.353 1.00 0.00 C ATOM 230 O HIS A 15 -12.406 2.961 -3.067 1.00 0.00 O ATOM 231 CB HIS A 15 -13.630 0.406 -1.455 1.00 0.00 C ATOM 232 CG HIS A 15 -12.418 -0.297 -2.006 1.00 0.00 C ATOM 233 ND1 HIS A 15 -12.190 -0.953 -3.192 1.00 0.00 N flip ATOM 234 CD2 HIS A 15 -11.229 -0.380 -1.294 1.00 0.00 C flip ATOM 235 CE1 HIS A 15 -10.886 -1.432 -3.213 1.00 0.00 C flip ATOM 236 NE2 HIS A 15 -10.349 -1.062 -2.050 1.00 0.00 N flip ATOM 0 H HIS A 15 -15.644 -0.030 -2.898 1.00 0.00 H new ATOM 0 HA HIS A 15 -14.576 2.286 -1.916 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.375 0.901 -0.518 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.408 -0.323 -1.229 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.044 0.029 -0.312 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.407 -1.988 -4.006 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.391 -1.270 -1.768 1.00 0.00 H new ATOM 245 N LEU A 16 -12.728 1.254 -4.412 1.00 0.00 N ATOM 246 CA LEU A 16 -11.614 1.668 -5.318 1.00 0.00 C ATOM 247 C LEU A 16 -11.528 3.197 -5.439 1.00 0.00 C ATOM 248 O LEU A 16 -10.451 3.759 -5.456 1.00 0.00 O ATOM 249 CB LEU A 16 -11.875 1.081 -6.711 1.00 0.00 C ATOM 250 CG LEU A 16 -10.552 0.775 -7.419 1.00 0.00 C ATOM 251 CD1 LEU A 16 -10.843 0.218 -8.818 1.00 0.00 C ATOM 252 CD2 LEU A 16 -9.723 2.059 -7.540 1.00 0.00 C ATOM 0 H LEU A 16 -13.215 0.403 -4.693 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.675 1.302 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.467 0.170 -6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.458 1.784 -7.305 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.992 0.039 -6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.903 -0.001 -9.325 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.430 -0.696 -8.731 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.403 0.955 -9.394 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.782 1.838 -8.044 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.279 2.798 -8.117 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.518 2.455 -6.545 1.00 0.00 H new ATOM 264 N LEU A 17 -12.634 3.879 -5.555 1.00 0.00 N ATOM 265 CA LEU A 17 -12.564 5.362 -5.709 1.00 0.00 C ATOM 266 C LEU A 17 -12.355 6.058 -4.349 1.00 0.00 C ATOM 267 O LEU A 17 -11.304 6.610 -4.099 1.00 0.00 O ATOM 268 CB LEU A 17 -13.846 5.874 -6.388 1.00 0.00 C ATOM 269 CG LEU A 17 -13.607 6.048 -7.895 1.00 0.00 C ATOM 270 CD1 LEU A 17 -14.946 5.992 -8.635 1.00 0.00 C ATOM 271 CD2 LEU A 17 -12.940 7.403 -8.158 1.00 0.00 C ATOM 0 H LEU A 17 -13.573 3.481 -5.550 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.706 5.603 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.662 5.172 -6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.147 6.824 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.958 5.248 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.776 6.116 -9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.423 5.029 -8.452 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.594 6.792 -8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.771 7.524 -9.228 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.588 8.203 -7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.986 7.447 -7.633 1.00 0.00 H new ATOM 283 N PRO A 18 -13.345 6.066 -3.488 1.00 0.00 N ATOM 284 CA PRO A 18 -13.248 6.748 -2.158 1.00 0.00 C ATOM 285 C PRO A 18 -12.118 6.211 -1.268 1.00 0.00 C ATOM 286 O PRO A 18 -11.367 6.968 -0.689 1.00 0.00 O ATOM 287 CB PRO A 18 -14.611 6.487 -1.499 1.00 0.00 C ATOM 288 CG PRO A 18 -15.208 5.343 -2.248 1.00 0.00 C ATOM 289 CD PRO A 18 -14.657 5.427 -3.668 1.00 0.00 C ATOM 0 HA PRO A 18 -13.014 7.805 -2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.495 6.246 -0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.249 7.369 -1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.943 4.393 -1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.296 5.404 -2.249 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.564 4.440 -4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.305 6.016 -4.316 1.00 0.00 H new ATOM 297 N LYS A 19 -12.003 4.921 -1.129 1.00 0.00 N ATOM 298 CA LYS A 19 -10.933 4.358 -0.252 1.00 0.00 C ATOM 299 C LYS A 19 -9.612 5.106 -0.473 1.00 0.00 C ATOM 300 O LYS A 19 -9.030 5.644 0.448 1.00 0.00 O ATOM 301 CB LYS A 19 -10.739 2.871 -0.573 1.00 0.00 C ATOM 302 CG LYS A 19 -10.253 2.130 0.678 1.00 0.00 C ATOM 303 CD LYS A 19 -8.991 2.803 1.222 1.00 0.00 C ATOM 304 CE LYS A 19 -8.298 1.864 2.211 1.00 0.00 C ATOM 305 NZ LYS A 19 -9.227 1.553 3.334 1.00 0.00 N ATOM 0 H LYS A 19 -12.601 4.231 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.233 4.474 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.677 2.439 -0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.016 2.755 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.034 2.131 1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.045 1.088 0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.315 3.049 0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.249 3.741 1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.998 0.945 1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.389 2.328 2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.692 1.134 4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.688 2.428 3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.950 0.879 3.010 1.00 0.00 H new ATOM 319 N GLN A 20 -9.127 5.129 -1.683 1.00 0.00 N ATOM 320 CA GLN A 20 -7.835 5.821 -1.960 1.00 0.00 C ATOM 321 C GLN A 20 -8.048 7.334 -2.082 1.00 0.00 C ATOM 322 O GLN A 20 -7.323 8.120 -1.507 1.00 0.00 O ATOM 323 CB GLN A 20 -7.250 5.283 -3.269 1.00 0.00 C ATOM 324 CG GLN A 20 -7.574 3.793 -3.405 1.00 0.00 C ATOM 325 CD GLN A 20 -7.059 3.043 -2.176 1.00 0.00 C ATOM 326 OE1 GLN A 20 -6.153 3.499 -1.508 1.00 0.00 O ATOM 327 NE2 GLN A 20 -7.603 1.903 -1.847 1.00 0.00 N ATOM 0 H GLN A 20 -9.570 4.698 -2.494 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.148 5.632 -1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.661 5.833 -4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.171 5.433 -3.285 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.650 3.652 -3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.114 3.391 -4.308 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.364 1.520 -2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.267 1.395 -1.029 1.00 0.00 H new ATOM 336 N ILE A 21 -9.018 7.748 -2.844 1.00 0.00 N ATOM 337 CA ILE A 21 -9.260 9.208 -3.030 1.00 0.00 C ATOM 338 C ILE A 21 -9.370 9.930 -1.682 1.00 0.00 C ATOM 339 O ILE A 21 -8.933 11.048 -1.550 1.00 0.00 O ATOM 340 CB ILE A 21 -10.551 9.418 -3.833 1.00 0.00 C ATOM 341 CG1 ILE A 21 -10.311 9.047 -5.306 1.00 0.00 C ATOM 342 CG2 ILE A 21 -10.992 10.883 -3.738 1.00 0.00 C ATOM 343 CD1 ILE A 21 -9.224 9.941 -5.921 1.00 0.00 C ATOM 0 H ILE A 21 -9.659 7.137 -3.350 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.413 9.627 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.334 8.781 -3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.013 8.001 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -11.238 9.154 -5.869 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.909 11.025 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.172 11.142 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.209 11.525 -4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.070 9.662 -6.963 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.537 10.984 -5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.293 9.813 -5.370 1.00 0.00 H new ATOM 355 N LYS A 22 -9.976 9.335 -0.695 1.00 0.00 N ATOM 356 CA LYS A 22 -10.125 10.045 0.613 1.00 0.00 C ATOM 357 C LYS A 22 -8.774 10.187 1.325 1.00 0.00 C ATOM 358 O LYS A 22 -8.143 11.231 1.277 1.00 0.00 O ATOM 359 CB LYS A 22 -11.095 9.264 1.506 1.00 0.00 C ATOM 360 CG LYS A 22 -12.537 9.644 1.159 1.00 0.00 C ATOM 361 CD LYS A 22 -13.503 8.867 2.055 1.00 0.00 C ATOM 362 CE LYS A 22 -14.872 9.553 2.049 1.00 0.00 C ATOM 363 NZ LYS A 22 -14.809 10.793 2.871 1.00 0.00 N ATOM 0 H LYS A 22 -10.373 8.396 -0.732 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.514 11.045 0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.948 8.193 1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.894 9.482 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.683 10.716 1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.740 9.423 0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.598 7.840 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.113 8.819 3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.165 9.796 1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.630 8.879 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.767 11.054 3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.211 10.627 3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.405 11.565 2.304 1.00 0.00 H new ATOM 377 N GLU A 23 -8.334 9.157 1.998 1.00 0.00 N ATOM 378 CA GLU A 23 -7.034 9.240 2.729 1.00 0.00 C ATOM 379 C GLU A 23 -6.017 9.985 1.868 1.00 0.00 C ATOM 380 O GLU A 23 -5.240 10.786 2.349 1.00 0.00 O ATOM 381 CB GLU A 23 -6.521 7.828 3.018 1.00 0.00 C ATOM 382 CG GLU A 23 -5.126 7.908 3.644 1.00 0.00 C ATOM 383 CD GLU A 23 -4.774 6.562 4.281 1.00 0.00 C ATOM 384 OE1 GLU A 23 -5.267 5.555 3.802 1.00 0.00 O ATOM 385 OE2 GLU A 23 -4.016 6.563 5.237 1.00 0.00 O ATOM 0 H GLU A 23 -8.818 8.262 2.074 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.177 9.773 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.205 7.313 3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.485 7.247 2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.389 8.166 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.098 8.697 4.396 1.00 0.00 H new ATOM 392 N HIS A 24 -6.029 9.728 0.595 1.00 0.00 N ATOM 393 CA HIS A 24 -5.084 10.414 -0.324 1.00 0.00 C ATOM 394 C HIS A 24 -5.653 11.790 -0.675 1.00 0.00 C ATOM 395 O HIS A 24 -4.936 12.763 -0.790 1.00 0.00 O ATOM 396 CB HIS A 24 -4.895 9.558 -1.579 1.00 0.00 C ATOM 397 CG HIS A 24 -4.686 8.123 -1.159 1.00 0.00 C ATOM 398 ND1 HIS A 24 -5.460 7.518 -0.177 1.00 0.00 N ATOM 399 CD2 HIS A 24 -3.788 7.165 -1.565 1.00 0.00 C ATOM 400 CE1 HIS A 24 -5.017 6.256 -0.028 1.00 0.00 C ATOM 401 NE2 HIS A 24 -4.003 5.994 -0.850 1.00 0.00 N ATOM 0 H HIS A 24 -6.660 9.064 0.146 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.111 10.547 0.150 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.768 9.639 -2.227 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.039 9.912 -2.153 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.031 7.302 -2.323 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.432 5.545 0.671 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.491 5.116 -0.937 1.00 0.00 H new ATOM 410 N GLY A 25 -6.948 11.867 -0.838 1.00 0.00 N ATOM 411 CA GLY A 25 -7.611 13.164 -1.171 1.00 0.00 C ATOM 412 C GLY A 25 -6.952 14.301 -0.396 1.00 0.00 C ATOM 413 O GLY A 25 -6.828 15.404 -0.890 1.00 0.00 O ATOM 0 H GLY A 25 -7.584 11.074 -0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.540 13.354 -2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.672 13.113 -0.926 1.00 0.00 H new ATOM 417 N LEU A 26 -6.543 14.046 0.819 1.00 0.00 N ATOM 418 CA LEU A 26 -5.903 15.126 1.633 1.00 0.00 C ATOM 419 C LEU A 26 -5.062 16.015 0.709 1.00 0.00 C ATOM 420 O LEU A 26 -5.052 17.223 0.835 1.00 0.00 O ATOM 421 CB LEU A 26 -5.004 14.490 2.703 1.00 0.00 C ATOM 422 CG LEU A 26 -4.964 15.382 3.948 1.00 0.00 C ATOM 423 CD1 LEU A 26 -4.009 14.776 4.977 1.00 0.00 C ATOM 424 CD2 LEU A 26 -4.478 16.783 3.562 1.00 0.00 C ATOM 0 H LEU A 26 -6.623 13.141 1.283 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.669 15.729 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.380 13.501 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.996 14.354 2.310 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.964 15.452 4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.979 15.410 5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.356 13.781 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.009 14.705 4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.450 17.416 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.478 16.716 3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.159 17.215 2.829 1.00 0.00 H new ATOM 436 N LYS A 27 -4.389 15.429 -0.245 1.00 0.00 N ATOM 437 CA LYS A 27 -3.587 16.241 -1.203 1.00 0.00 C ATOM 438 C LYS A 27 -4.418 16.430 -2.474 1.00 0.00 C ATOM 439 O LYS A 27 -5.283 15.632 -2.776 1.00 0.00 O ATOM 440 CB LYS A 27 -2.287 15.506 -1.542 1.00 0.00 C ATOM 441 CG LYS A 27 -1.353 15.516 -0.326 1.00 0.00 C ATOM 442 CD LYS A 27 0.085 15.219 -0.774 1.00 0.00 C ATOM 443 CE LYS A 27 0.783 16.522 -1.175 1.00 0.00 C ATOM 444 NZ LYS A 27 1.126 17.299 0.049 1.00 0.00 N ATOM 0 H LYS A 27 -4.361 14.421 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.338 17.207 -0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.505 14.479 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.799 15.984 -2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.396 16.486 0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.679 14.772 0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.635 14.735 0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.078 14.526 -1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.686 16.303 -1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.133 17.111 -1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.897 17.963 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.291 17.830 0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.430 16.647 0.800 1.00 0.00 H new ATOM 458 N LYS A 28 -4.174 17.474 -3.219 1.00 0.00 N ATOM 459 CA LYS A 28 -4.966 17.700 -4.467 1.00 0.00 C ATOM 460 C LYS A 28 -5.160 16.368 -5.198 1.00 0.00 C ATOM 461 O LYS A 28 -4.389 15.446 -5.031 1.00 0.00 O ATOM 462 CB LYS A 28 -4.219 18.678 -5.378 1.00 0.00 C ATOM 463 CG LYS A 28 -2.830 18.119 -5.700 1.00 0.00 C ATOM 464 CD LYS A 28 -1.950 19.227 -6.296 1.00 0.00 C ATOM 465 CE LYS A 28 -1.243 19.989 -5.172 1.00 0.00 C ATOM 466 NZ LYS A 28 -0.362 19.054 -4.416 1.00 0.00 N ATOM 0 H LYS A 28 -3.464 18.179 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.939 18.117 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.781 18.836 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.128 19.648 -4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.369 17.722 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.915 17.291 -6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.214 18.794 -6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.561 19.912 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.653 20.806 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.978 20.435 -4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.608 19.428 -4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.712 18.959 -3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.367 18.122 -4.878 1.00 0.00 H new ATOM 480 N SER A 29 -6.186 16.258 -6.003 1.00 0.00 N ATOM 481 CA SER A 29 -6.428 14.983 -6.742 1.00 0.00 C ATOM 482 C SER A 29 -5.095 14.432 -7.247 1.00 0.00 C ATOM 483 O SER A 29 -4.604 14.828 -8.286 1.00 0.00 O ATOM 484 CB SER A 29 -7.354 15.250 -7.930 1.00 0.00 C ATOM 485 OG SER A 29 -7.317 14.137 -8.813 1.00 0.00 O ATOM 0 H SER A 29 -6.867 16.997 -6.180 1.00 0.00 H new ATOM 0 HA SER A 29 -6.894 14.257 -6.076 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.373 15.418 -7.581 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.042 16.154 -8.453 1.00 0.00 H new ATOM 0 HG SER A 29 -7.910 14.304 -9.575 1.00 0.00 H new ATOM 491 N ASN A 30 -4.497 13.535 -6.508 1.00 0.00 N ATOM 492 CA ASN A 30 -3.181 12.970 -6.929 1.00 0.00 C ATOM 493 C ASN A 30 -3.263 11.439 -7.013 1.00 0.00 C ATOM 494 O ASN A 30 -2.448 10.732 -6.455 1.00 0.00 O ATOM 495 CB ASN A 30 -2.112 13.390 -5.900 1.00 0.00 C ATOM 496 CG ASN A 30 -0.947 14.086 -6.611 1.00 0.00 C ATOM 497 OD1 ASN A 30 -0.265 13.485 -7.416 1.00 0.00 O ATOM 498 ND2 ASN A 30 -0.692 15.336 -6.344 1.00 0.00 N ATOM 0 H ASN A 30 -4.864 13.169 -5.630 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.915 13.351 -7.915 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.550 14.060 -5.161 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.750 12.514 -5.361 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.081 15.810 -6.811 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.265 15.840 -5.668 1.00 0.00 H new ATOM 505 N LEU A 31 -4.231 10.919 -7.717 1.00 0.00 N ATOM 506 CA LEU A 31 -4.337 9.436 -7.836 1.00 0.00 C ATOM 507 C LEU A 31 -5.207 9.065 -9.040 1.00 0.00 C ATOM 508 O LEU A 31 -6.294 9.578 -9.217 1.00 0.00 O ATOM 509 CB LEU A 31 -4.961 8.864 -6.560 1.00 0.00 C ATOM 510 CG LEU A 31 -4.694 7.355 -6.490 1.00 0.00 C ATOM 511 CD1 LEU A 31 -3.323 7.094 -5.855 1.00 0.00 C ATOM 512 CD2 LEU A 31 -5.775 6.685 -5.640 1.00 0.00 C ATOM 0 H LEU A 31 -4.948 11.451 -8.211 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.340 9.019 -7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.541 9.359 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.034 9.055 -6.550 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.709 6.945 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.142 6.020 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.547 7.568 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.304 7.508 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.586 5.613 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.758 7.104 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.752 6.860 -6.090 1.00 0.00 H new ATOM 524 N GLN A 32 -4.738 8.166 -9.864 1.00 0.00 N ATOM 525 CA GLN A 32 -5.534 7.742 -11.052 1.00 0.00 C ATOM 526 C GLN A 32 -5.309 6.245 -11.291 1.00 0.00 C ATOM 527 O GLN A 32 -4.440 5.849 -12.043 1.00 0.00 O ATOM 528 CB GLN A 32 -5.083 8.541 -12.286 1.00 0.00 C ATOM 529 CG GLN A 32 -6.089 9.661 -12.577 1.00 0.00 C ATOM 530 CD GLN A 32 -5.703 10.369 -13.878 1.00 0.00 C ATOM 531 OE1 GLN A 32 -5.527 11.570 -13.899 1.00 0.00 O ATOM 532 NE2 GLN A 32 -5.566 9.669 -14.970 1.00 0.00 N ATOM 0 H GLN A 32 -3.833 7.705 -9.764 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.593 7.930 -10.876 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.093 8.964 -12.114 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.002 7.880 -13.149 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.095 9.249 -12.660 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.104 10.374 -11.753 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.714 8.660 -14.951 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.311 10.131 -15.843 1.00 0.00 H new ATOM 541 N LEU A 33 -6.083 5.412 -10.646 1.00 0.00 N ATOM 542 CA LEU A 33 -5.916 3.940 -10.822 1.00 0.00 C ATOM 543 C LEU A 33 -6.893 3.433 -11.887 1.00 0.00 C ATOM 544 O LEU A 33 -8.067 3.745 -11.866 1.00 0.00 O ATOM 545 CB LEU A 33 -6.205 3.235 -9.488 1.00 0.00 C ATOM 546 CG LEU A 33 -4.901 3.046 -8.702 1.00 0.00 C ATOM 547 CD1 LEU A 33 -5.211 2.949 -7.206 1.00 0.00 C ATOM 548 CD2 LEU A 33 -4.208 1.757 -9.159 1.00 0.00 C ATOM 0 H LEU A 33 -6.825 5.689 -10.003 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.895 3.726 -11.139 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.911 3.823 -8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.672 2.267 -9.672 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.246 3.898 -8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.283 2.815 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.702 3.864 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.869 2.099 -7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.282 1.624 -8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.866 0.907 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.983 1.823 -10.223 1.00 0.00 H new ATOM 560 N ARG A 34 -6.414 2.647 -12.811 1.00 0.00 N ATOM 561 CA ARG A 34 -7.312 2.109 -13.872 1.00 0.00 C ATOM 562 C ARG A 34 -7.919 0.788 -13.393 1.00 0.00 C ATOM 563 O ARG A 34 -7.408 0.150 -12.492 1.00 0.00 O ATOM 564 CB ARG A 34 -6.505 1.865 -15.150 1.00 0.00 C ATOM 565 CG ARG A 34 -5.935 3.192 -15.656 1.00 0.00 C ATOM 566 CD ARG A 34 -5.466 3.028 -17.103 1.00 0.00 C ATOM 567 NE ARG A 34 -4.793 4.279 -17.552 1.00 0.00 N ATOM 568 CZ ARG A 34 -3.590 4.560 -17.132 1.00 0.00 C ATOM 569 NH1 ARG A 34 -2.975 3.744 -16.319 1.00 0.00 N ATOM 570 NH2 ARG A 34 -3.002 5.658 -17.523 1.00 0.00 N ATOM 0 H ARG A 34 -5.439 2.354 -12.878 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.107 2.826 -14.078 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.696 1.161 -14.953 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.140 1.415 -15.913 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.693 3.973 -15.595 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.103 3.506 -15.026 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.779 2.185 -17.181 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.316 2.807 -17.749 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.273 4.916 -18.188 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.435 2.887 -16.012 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.035 3.964 -15.991 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.483 6.296 -18.157 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.062 5.878 -17.195 1.00 0.00 H new ATOM 584 N ASP A 35 -9.005 0.372 -13.983 1.00 0.00 N ATOM 585 CA ASP A 35 -9.642 -0.906 -13.555 1.00 0.00 C ATOM 586 C ASP A 35 -8.678 -2.069 -13.803 1.00 0.00 C ATOM 587 O ASP A 35 -8.541 -2.960 -12.989 1.00 0.00 O ATOM 588 CB ASP A 35 -10.926 -1.127 -14.356 1.00 0.00 C ATOM 589 CG ASP A 35 -11.752 0.160 -14.364 1.00 0.00 C ATOM 590 OD1 ASP A 35 -12.163 0.584 -13.296 1.00 0.00 O ATOM 591 OD2 ASP A 35 -11.959 0.701 -15.437 1.00 0.00 O ATOM 0 H ASP A 35 -9.479 0.861 -14.742 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.880 -0.855 -12.492 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.684 -1.422 -15.377 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.505 -1.940 -13.918 1.00 0.00 H new ATOM 596 N GLN A 36 -8.012 -2.069 -14.925 1.00 0.00 N ATOM 597 CA GLN A 36 -7.061 -3.176 -15.231 1.00 0.00 C ATOM 598 C GLN A 36 -6.003 -3.273 -14.129 1.00 0.00 C ATOM 599 O GLN A 36 -5.612 -4.351 -13.728 1.00 0.00 O ATOM 600 CB GLN A 36 -6.377 -2.901 -16.572 1.00 0.00 C ATOM 601 CG GLN A 36 -5.567 -4.129 -16.994 1.00 0.00 C ATOM 602 CD GLN A 36 -4.887 -3.852 -18.337 1.00 0.00 C ATOM 603 OE1 GLN A 36 -5.342 -4.310 -19.366 1.00 0.00 O ATOM 604 NE2 GLN A 36 -3.809 -3.120 -18.369 1.00 0.00 N ATOM 0 H GLN A 36 -8.085 -1.349 -15.644 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.609 -4.117 -15.284 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.123 -2.666 -17.331 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.724 -2.033 -16.488 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.819 -4.363 -16.236 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.220 -4.998 -17.077 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.428 -2.736 -17.505 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.347 -2.931 -19.259 1.00 0.00 H new ATOM 613 N ALA A 37 -5.530 -2.160 -13.641 1.00 0.00 N ATOM 614 CA ALA A 37 -4.492 -2.197 -12.570 1.00 0.00 C ATOM 615 C ALA A 37 -5.044 -2.920 -11.338 1.00 0.00 C ATOM 616 O ALA A 37 -4.662 -4.034 -11.038 1.00 0.00 O ATOM 617 CB ALA A 37 -4.104 -0.767 -12.188 1.00 0.00 C ATOM 0 H ALA A 37 -5.816 -1.227 -13.936 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.615 -2.730 -12.938 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.346 -0.792 -11.405 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.706 -0.252 -13.062 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.984 -0.236 -11.824 1.00 0.00 H new ATOM 623 N ILE A 38 -5.935 -2.291 -10.623 1.00 0.00 N ATOM 624 CA ILE A 38 -6.517 -2.929 -9.405 1.00 0.00 C ATOM 625 C ILE A 38 -6.861 -4.395 -9.701 1.00 0.00 C ATOM 626 O ILE A 38 -6.668 -5.266 -8.878 1.00 0.00 O ATOM 627 CB ILE A 38 -7.785 -2.161 -8.998 1.00 0.00 C ATOM 628 CG1 ILE A 38 -7.400 -0.980 -8.090 1.00 0.00 C ATOM 629 CG2 ILE A 38 -8.754 -3.093 -8.257 1.00 0.00 C ATOM 630 CD1 ILE A 38 -7.365 -1.430 -6.627 1.00 0.00 C ATOM 0 H ILE A 38 -6.288 -1.357 -10.830 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.794 -2.898 -8.590 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.277 -1.785 -9.895 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.425 -0.590 -8.382 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.118 -0.169 -8.212 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.648 -2.538 -7.974 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.032 -3.921 -8.909 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.270 -3.483 -7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.091 -0.586 -5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.349 -1.798 -6.336 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.630 -2.226 -6.509 1.00 0.00 H new ATOM 642 N LEU A 39 -7.373 -4.674 -10.867 1.00 0.00 N ATOM 643 CA LEU A 39 -7.727 -6.082 -11.205 1.00 0.00 C ATOM 644 C LEU A 39 -6.452 -6.925 -11.284 1.00 0.00 C ATOM 645 O LEU A 39 -6.422 -8.066 -10.868 1.00 0.00 O ATOM 646 CB LEU A 39 -8.451 -6.119 -12.556 1.00 0.00 C ATOM 647 CG LEU A 39 -9.922 -5.718 -12.376 1.00 0.00 C ATOM 648 CD1 LEU A 39 -10.507 -5.309 -13.730 1.00 0.00 C ATOM 649 CD2 LEU A 39 -10.724 -6.901 -11.817 1.00 0.00 C ATOM 0 H LEU A 39 -7.562 -3.990 -11.600 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.381 -6.486 -10.433 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.964 -5.441 -13.257 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.388 -7.119 -12.984 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.980 -4.882 -11.679 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.551 -5.024 -13.604 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.946 -4.464 -14.128 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.441 -6.148 -14.423 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.766 -6.608 -11.692 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.664 -7.741 -12.509 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.312 -7.196 -10.852 1.00 0.00 H new ATOM 661 N ASP A 40 -5.405 -6.375 -11.829 1.00 0.00 N ATOM 662 CA ASP A 40 -4.132 -7.141 -11.955 1.00 0.00 C ATOM 663 C ASP A 40 -3.495 -7.353 -10.577 1.00 0.00 C ATOM 664 O ASP A 40 -3.324 -8.469 -10.131 1.00 0.00 O ATOM 665 CB ASP A 40 -3.160 -6.364 -12.847 1.00 0.00 C ATOM 666 CG ASP A 40 -2.007 -7.278 -13.264 1.00 0.00 C ATOM 667 OD1 ASP A 40 -2.246 -8.176 -14.054 1.00 0.00 O ATOM 668 OD2 ASP A 40 -0.905 -7.066 -12.786 1.00 0.00 O ATOM 0 H ASP A 40 -5.374 -5.423 -12.195 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.349 -8.114 -12.397 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.679 -5.991 -13.730 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.775 -5.496 -12.313 1.00 0.00 H new ATOM 673 N ILE A 41 -3.124 -6.295 -9.909 1.00 0.00 N ATOM 674 CA ILE A 41 -2.476 -6.440 -8.571 1.00 0.00 C ATOM 675 C ILE A 41 -3.212 -7.492 -7.729 1.00 0.00 C ATOM 676 O ILE A 41 -2.602 -8.265 -7.022 1.00 0.00 O ATOM 677 CB ILE A 41 -2.484 -5.088 -7.845 1.00 0.00 C ATOM 678 CG1 ILE A 41 -1.406 -5.091 -6.757 1.00 0.00 C ATOM 679 CG2 ILE A 41 -3.852 -4.843 -7.206 1.00 0.00 C ATOM 680 CD1 ILE A 41 -1.457 -3.775 -5.976 1.00 0.00 C ATOM 0 H ILE A 41 -3.241 -5.334 -10.231 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.446 -6.768 -8.712 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.281 -4.295 -8.564 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.560 -5.932 -6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.422 -5.220 -7.207 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.847 -3.881 -6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.619 -4.838 -7.980 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.066 -5.635 -6.489 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.689 -3.781 -5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.281 -2.941 -6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.437 -3.665 -5.512 1.00 0.00 H new ATOM 692 N ILE A 42 -4.513 -7.527 -7.791 1.00 0.00 N ATOM 693 CA ILE A 42 -5.264 -8.532 -6.983 1.00 0.00 C ATOM 694 C ILE A 42 -5.152 -9.913 -7.637 1.00 0.00 C ATOM 695 O ILE A 42 -5.031 -10.921 -6.970 1.00 0.00 O ATOM 696 CB ILE A 42 -6.740 -8.130 -6.909 1.00 0.00 C ATOM 697 CG1 ILE A 42 -6.882 -6.858 -6.070 1.00 0.00 C ATOM 698 CG2 ILE A 42 -7.548 -9.258 -6.261 1.00 0.00 C ATOM 699 CD1 ILE A 42 -8.309 -6.319 -6.200 1.00 0.00 C ATOM 0 H ILE A 42 -5.088 -6.908 -8.362 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.841 -8.570 -5.979 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.115 -7.947 -7.916 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.656 -7.071 -5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.166 -6.107 -6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -8.598 -8.970 -6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.449 -10.165 -6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.172 -9.443 -5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.412 -5.413 -5.603 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.518 -6.090 -7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.015 -7.069 -5.845 1.00 0.00 H new ATOM 711 N ARG A 43 -5.213 -9.964 -8.936 1.00 0.00 N ATOM 712 CA ARG A 43 -5.137 -11.278 -9.645 1.00 0.00 C ATOM 713 C ARG A 43 -3.740 -11.900 -9.500 1.00 0.00 C ATOM 714 O ARG A 43 -3.605 -13.097 -9.346 1.00 0.00 O ATOM 715 CB ARG A 43 -5.446 -11.069 -11.135 1.00 0.00 C ATOM 716 CG ARG A 43 -6.953 -11.198 -11.383 1.00 0.00 C ATOM 717 CD ARG A 43 -7.218 -11.249 -12.890 1.00 0.00 C ATOM 718 NE ARG A 43 -6.462 -12.384 -13.489 1.00 0.00 N ATOM 719 CZ ARG A 43 -6.826 -12.877 -14.641 1.00 0.00 C ATOM 720 NH1 ARG A 43 -7.853 -12.376 -15.270 1.00 0.00 N ATOM 721 NH2 ARG A 43 -6.161 -13.871 -15.166 1.00 0.00 N ATOM 0 H ARG A 43 -5.313 -9.151 -9.544 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.866 -11.955 -9.200 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.100 -10.085 -11.452 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.907 -11.804 -11.733 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.336 -12.100 -10.905 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.479 -10.353 -10.938 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.285 -11.369 -13.079 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.916 -10.311 -13.355 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.659 -12.776 -12.998 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.372 -11.599 -14.861 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.137 -12.762 -16.171 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.357 -14.262 -14.675 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.446 -14.256 -16.067 1.00 0.00 H new ATOM 735 N TYR A 44 -2.701 -11.113 -9.570 1.00 0.00 N ATOM 736 CA TYR A 44 -1.330 -11.687 -9.459 1.00 0.00 C ATOM 737 C TYR A 44 -1.013 -12.004 -7.997 1.00 0.00 C ATOM 738 O TYR A 44 -0.392 -13.001 -7.687 1.00 0.00 O ATOM 739 CB TYR A 44 -0.311 -10.675 -9.993 1.00 0.00 C ATOM 740 CG TYR A 44 -0.238 -10.773 -11.501 1.00 0.00 C ATOM 741 CD1 TYR A 44 -1.392 -10.578 -12.272 1.00 0.00 C ATOM 742 CD2 TYR A 44 0.981 -11.057 -12.129 1.00 0.00 C ATOM 743 CE1 TYR A 44 -1.326 -10.668 -13.666 1.00 0.00 C ATOM 744 CE2 TYR A 44 1.046 -11.148 -13.524 1.00 0.00 C ATOM 745 CZ TYR A 44 -0.107 -10.953 -14.293 1.00 0.00 C ATOM 746 OH TYR A 44 -0.042 -11.041 -15.669 1.00 0.00 O ATOM 0 H TYR A 44 -2.742 -10.102 -9.699 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.278 -12.606 -10.043 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.597 -9.666 -9.698 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.670 -10.868 -9.558 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.333 -10.358 -11.789 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.872 -11.206 -11.536 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.216 -10.518 -14.259 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.986 -11.369 -14.007 1.00 0.00 H new ATOM 0 HH TYR A 44 0.877 -11.244 -15.941 1.00 0.00 H new ATOM 756 N TYR A 45 -1.419 -11.155 -7.099 1.00 0.00 N ATOM 757 CA TYR A 45 -1.124 -11.393 -5.659 1.00 0.00 C ATOM 758 C TYR A 45 -2.141 -12.367 -5.066 1.00 0.00 C ATOM 759 O TYR A 45 -1.788 -13.434 -4.605 1.00 0.00 O ATOM 760 CB TYR A 45 -1.186 -10.061 -4.912 1.00 0.00 C ATOM 761 CG TYR A 45 0.007 -9.224 -5.307 1.00 0.00 C ATOM 762 CD1 TYR A 45 0.166 -8.817 -6.638 1.00 0.00 C ATOM 763 CD2 TYR A 45 0.959 -8.863 -4.348 1.00 0.00 C ATOM 764 CE1 TYR A 45 1.272 -8.052 -7.008 1.00 0.00 C ATOM 765 CE2 TYR A 45 2.066 -8.095 -4.719 1.00 0.00 C ATOM 766 CZ TYR A 45 2.225 -7.689 -6.050 1.00 0.00 C ATOM 767 OH TYR A 45 3.319 -6.935 -6.417 1.00 0.00 O ATOM 0 H TYR A 45 -1.944 -10.304 -7.299 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.129 -11.826 -5.560 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.111 -9.537 -5.152 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.187 -10.232 -3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.569 -9.096 -7.379 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.839 -9.177 -3.322 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.393 -7.740 -8.035 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.800 -7.814 -3.978 1.00 0.00 H new ATOM 0 HH TYR A 45 4.128 -7.486 -6.365 1.00 0.00 H new ATOM 777 N THR A 46 -3.396 -12.015 -5.063 1.00 0.00 N ATOM 778 CA THR A 46 -4.420 -12.931 -4.490 1.00 0.00 C ATOM 779 C THR A 46 -3.945 -13.424 -3.119 1.00 0.00 C ATOM 780 O THR A 46 -4.494 -14.350 -2.557 1.00 0.00 O ATOM 781 CB THR A 46 -4.614 -14.125 -5.431 1.00 0.00 C ATOM 782 OG1 THR A 46 -4.408 -13.704 -6.772 1.00 0.00 O ATOM 783 CG2 THR A 46 -6.033 -14.673 -5.281 1.00 0.00 C ATOM 0 H THR A 46 -3.756 -11.135 -5.432 1.00 0.00 H new ATOM 0 HA THR A 46 -5.367 -12.403 -4.377 1.00 0.00 H new ATOM 0 HB THR A 46 -3.898 -14.907 -5.178 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.754 -12.794 -6.886 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.168 -15.522 -5.951 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.192 -14.995 -4.252 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.752 -13.894 -5.533 1.00 0.00 H new ATOM 791 N ARG A 47 -2.922 -12.813 -2.582 1.00 0.00 N ATOM 792 CA ARG A 47 -2.398 -13.241 -1.253 1.00 0.00 C ATOM 793 C ARG A 47 -2.950 -12.321 -0.161 1.00 0.00 C ATOM 794 O ARG A 47 -2.240 -11.912 0.736 1.00 0.00 O ATOM 795 CB ARG A 47 -0.866 -13.163 -1.261 1.00 0.00 C ATOM 796 CG ARG A 47 -0.413 -11.749 -1.664 1.00 0.00 C ATOM 797 CD ARG A 47 0.623 -11.229 -0.663 1.00 0.00 C ATOM 798 NE ARG A 47 -0.056 -10.878 0.616 1.00 0.00 N ATOM 799 CZ ARG A 47 0.618 -10.309 1.578 1.00 0.00 C ATOM 800 NH1 ARG A 47 1.887 -10.049 1.420 1.00 0.00 N ATOM 801 NH2 ARG A 47 0.022 -10.000 2.697 1.00 0.00 N ATOM 0 H ARG A 47 -2.425 -12.032 -3.010 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.711 -14.266 -1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.476 -13.411 -0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.460 -13.896 -1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.014 -11.766 -2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.271 -11.078 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.386 -11.987 -0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.131 -10.354 -1.070 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.048 -11.082 0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.352 -10.290 0.545 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.414 -9.604 2.172 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.970 -10.203 2.819 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.548 -9.555 3.449 1.00 0.00 H new ATOM 815 N GLU A 48 -4.212 -11.994 -0.228 1.00 0.00 N ATOM 816 CA GLU A 48 -4.812 -11.101 0.808 1.00 0.00 C ATOM 817 C GLU A 48 -5.522 -11.954 1.864 1.00 0.00 C ATOM 818 O GLU A 48 -5.495 -11.650 3.040 1.00 0.00 O ATOM 819 CB GLU A 48 -5.820 -10.149 0.148 1.00 0.00 C ATOM 820 CG GLU A 48 -6.412 -10.802 -1.108 1.00 0.00 C ATOM 821 CD GLU A 48 -5.496 -10.538 -2.307 1.00 0.00 C ATOM 822 OE1 GLU A 48 -4.292 -10.501 -2.112 1.00 0.00 O ATOM 823 OE2 GLU A 48 -6.015 -10.375 -3.399 1.00 0.00 O ATOM 0 H GLU A 48 -4.855 -12.306 -0.956 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.025 -10.515 1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.616 -9.905 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.329 -9.212 -0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.524 -11.875 -0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.407 -10.402 -1.303 1.00 0.00 H new ATOM 830 N ALA A 49 -6.157 -13.019 1.455 1.00 0.00 N ATOM 831 CA ALA A 49 -6.866 -13.887 2.438 1.00 0.00 C ATOM 832 C ALA A 49 -7.756 -13.021 3.333 1.00 0.00 C ATOM 833 O ALA A 49 -7.655 -13.054 4.543 1.00 0.00 O ATOM 834 CB ALA A 49 -5.838 -14.623 3.301 1.00 0.00 C ATOM 0 H ALA A 49 -6.215 -13.325 0.484 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.481 -14.613 1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.355 -15.258 4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.202 -15.239 2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.224 -13.897 3.834 1.00 0.00 H new ATOM 840 N GLY A 50 -8.627 -12.245 2.744 1.00 0.00 N ATOM 841 CA GLY A 50 -9.527 -11.372 3.551 1.00 0.00 C ATOM 842 C GLY A 50 -9.564 -9.976 2.929 1.00 0.00 C ATOM 843 O GLY A 50 -8.652 -9.572 2.236 1.00 0.00 O ATOM 0 H GLY A 50 -8.754 -12.179 1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.531 -11.795 3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.172 -11.315 4.580 1.00 0.00 H new ATOM 847 N VAL A 51 -10.610 -9.238 3.166 1.00 0.00 N ATOM 848 CA VAL A 51 -10.705 -7.872 2.582 1.00 0.00 C ATOM 849 C VAL A 51 -9.775 -6.920 3.340 1.00 0.00 C ATOM 850 O VAL A 51 -9.112 -6.089 2.751 1.00 0.00 O ATOM 851 CB VAL A 51 -12.142 -7.367 2.691 1.00 0.00 C ATOM 852 CG1 VAL A 51 -13.068 -8.282 1.889 1.00 0.00 C ATOM 853 CG2 VAL A 51 -12.573 -7.367 4.159 1.00 0.00 C ATOM 0 H VAL A 51 -11.405 -9.521 3.739 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.410 -7.910 1.533 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.201 -6.353 2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.093 -7.921 1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.762 -8.282 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.009 -9.296 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.599 -7.007 4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.513 -8.380 4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.914 -6.714 4.732 1.00 0.00 H new ATOM 863 N ARG A 52 -9.728 -7.029 4.640 1.00 0.00 N ATOM 864 CA ARG A 52 -8.846 -6.124 5.435 1.00 0.00 C ATOM 865 C ARG A 52 -7.474 -6.022 4.761 1.00 0.00 C ATOM 866 O ARG A 52 -6.995 -4.946 4.466 1.00 0.00 O ATOM 867 CB ARG A 52 -8.686 -6.688 6.856 1.00 0.00 C ATOM 868 CG ARG A 52 -9.562 -5.896 7.836 1.00 0.00 C ATOM 869 CD ARG A 52 -9.031 -4.462 7.980 1.00 0.00 C ATOM 870 NE ARG A 52 -9.177 -4.021 9.396 1.00 0.00 N ATOM 871 CZ ARG A 52 -10.335 -3.610 9.836 1.00 0.00 C ATOM 872 NH1 ARG A 52 -11.366 -3.586 9.037 1.00 0.00 N ATOM 873 NH2 ARG A 52 -10.461 -3.221 11.075 1.00 0.00 N ATOM 0 H ARG A 52 -10.262 -7.705 5.187 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.294 -5.132 5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.968 -7.741 6.872 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.641 -6.633 7.163 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.592 -5.876 7.481 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.570 -6.388 8.808 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.984 -4.418 7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.580 -3.791 7.320 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.372 -4.040 10.022 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.267 -3.889 8.068 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.271 -3.265 9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.655 -3.238 11.699 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.366 -2.900 11.419 1.00 0.00 H new ATOM 887 N SER A 53 -6.837 -7.131 4.515 1.00 0.00 N ATOM 888 CA SER A 53 -5.501 -7.086 3.863 1.00 0.00 C ATOM 889 C SER A 53 -5.642 -6.558 2.438 1.00 0.00 C ATOM 890 O SER A 53 -4.834 -5.781 1.972 1.00 0.00 O ATOM 891 CB SER A 53 -4.901 -8.486 3.819 1.00 0.00 C ATOM 892 OG SER A 53 -4.954 -9.064 5.118 1.00 0.00 O ATOM 0 H SER A 53 -7.183 -8.065 4.737 1.00 0.00 H new ATOM 0 HA SER A 53 -4.849 -6.427 4.436 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.449 -9.106 3.110 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.869 -8.441 3.471 1.00 0.00 H new ATOM 0 HG SER A 53 -4.570 -9.965 5.091 1.00 0.00 H new ATOM 898 N LEU A 54 -6.663 -6.969 1.741 1.00 0.00 N ATOM 899 CA LEU A 54 -6.848 -6.481 0.347 1.00 0.00 C ATOM 900 C LEU A 54 -6.787 -4.956 0.351 1.00 0.00 C ATOM 901 O LEU A 54 -5.933 -4.353 -0.269 1.00 0.00 O ATOM 902 CB LEU A 54 -8.211 -6.941 -0.181 1.00 0.00 C ATOM 903 CG LEU A 54 -8.392 -6.483 -1.639 1.00 0.00 C ATOM 904 CD1 LEU A 54 -9.027 -7.608 -2.460 1.00 0.00 C ATOM 905 CD2 LEU A 54 -9.306 -5.254 -1.684 1.00 0.00 C ATOM 0 H LEU A 54 -7.375 -7.619 2.074 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.064 -6.882 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.286 -8.027 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.008 -6.531 0.439 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.417 -6.231 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.153 -7.279 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.381 -8.486 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.000 -7.862 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.432 -4.932 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.278 -5.508 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.859 -4.446 -1.105 1.00 0.00 H new ATOM 917 N GLU A 55 -7.686 -4.329 1.055 1.00 0.00 N ATOM 918 CA GLU A 55 -7.686 -2.845 1.113 1.00 0.00 C ATOM 919 C GLU A 55 -6.311 -2.353 1.577 1.00 0.00 C ATOM 920 O GLU A 55 -5.826 -1.339 1.122 1.00 0.00 O ATOM 921 CB GLU A 55 -8.795 -2.362 2.068 1.00 0.00 C ATOM 922 CG GLU A 55 -8.224 -2.055 3.457 1.00 0.00 C ATOM 923 CD GLU A 55 -9.373 -1.859 4.448 1.00 0.00 C ATOM 924 OE1 GLU A 55 -10.490 -2.213 4.106 1.00 0.00 O ATOM 925 OE2 GLU A 55 -9.117 -1.359 5.530 1.00 0.00 O ATOM 0 H GLU A 55 -8.423 -4.784 1.594 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.885 -2.436 0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.269 -1.469 1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.569 -3.125 2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.581 -2.871 3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.606 -1.158 3.418 1.00 0.00 H new ATOM 932 N ARG A 56 -5.682 -3.049 2.488 1.00 0.00 N ATOM 933 CA ARG A 56 -4.347 -2.591 2.971 1.00 0.00 C ATOM 934 C ARG A 56 -3.334 -2.620 1.823 1.00 0.00 C ATOM 935 O ARG A 56 -2.519 -1.730 1.683 1.00 0.00 O ATOM 936 CB ARG A 56 -3.869 -3.511 4.096 1.00 0.00 C ATOM 937 CG ARG A 56 -2.639 -2.897 4.769 1.00 0.00 C ATOM 938 CD ARG A 56 -2.007 -3.918 5.719 1.00 0.00 C ATOM 939 NE ARG A 56 -0.653 -3.446 6.123 1.00 0.00 N ATOM 940 CZ ARG A 56 0.333 -3.484 5.268 1.00 0.00 C ATOM 941 NH1 ARG A 56 0.133 -3.938 4.061 1.00 0.00 N ATOM 942 NH2 ARG A 56 1.518 -3.069 5.621 1.00 0.00 N ATOM 0 H ARG A 56 -6.032 -3.907 2.915 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.434 -1.570 3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.665 -3.652 4.828 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.625 -4.495 3.696 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.914 -2.591 4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.923 -2.001 5.320 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.636 -4.050 6.599 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.935 -4.890 5.230 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.496 -3.093 7.067 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.794 -4.263 3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.903 -3.968 3.393 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.674 -2.715 6.565 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.289 -3.099 4.953 1.00 0.00 H new ATOM 956 N GLN A 57 -3.371 -3.634 1.003 1.00 0.00 N ATOM 957 CA GLN A 57 -2.403 -3.715 -0.127 1.00 0.00 C ATOM 958 C GLN A 57 -2.658 -2.571 -1.109 1.00 0.00 C ATOM 959 O GLN A 57 -1.745 -1.886 -1.533 1.00 0.00 O ATOM 960 CB GLN A 57 -2.574 -5.055 -0.851 1.00 0.00 C ATOM 961 CG GLN A 57 -1.520 -5.187 -1.965 1.00 0.00 C ATOM 962 CD GLN A 57 -0.673 -6.441 -1.734 1.00 0.00 C ATOM 963 OE1 GLN A 57 -0.410 -7.191 -2.654 1.00 0.00 O ATOM 964 NE2 GLN A 57 -0.229 -6.701 -0.534 1.00 0.00 N ATOM 0 H GLN A 57 -4.030 -4.410 1.067 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.388 -3.636 0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.472 -5.877 -0.142 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -3.575 -5.123 -1.276 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.010 -5.243 -2.937 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.881 -4.304 -1.980 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.449 -6.072 0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.338 -7.533 -0.369 1.00 0.00 H new ATOM 973 N LEU A 58 -3.891 -2.356 -1.476 1.00 0.00 N ATOM 974 CA LEU A 58 -4.199 -1.255 -2.432 1.00 0.00 C ATOM 975 C LEU A 58 -3.926 0.085 -1.753 1.00 0.00 C ATOM 976 O LEU A 58 -3.382 0.993 -2.346 1.00 0.00 O ATOM 977 CB LEU A 58 -5.666 -1.339 -2.852 1.00 0.00 C ATOM 978 CG LEU A 58 -6.002 -2.789 -3.208 1.00 0.00 C ATOM 979 CD1 LEU A 58 -7.487 -2.902 -3.566 1.00 0.00 C ATOM 980 CD2 LEU A 58 -5.148 -3.234 -4.401 1.00 0.00 C ATOM 0 H LEU A 58 -4.697 -2.893 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.571 -1.347 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.309 -0.991 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.850 -0.689 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.790 -3.430 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.723 -3.936 -3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.091 -2.590 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.705 -2.261 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.387 -4.267 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.357 -2.592 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.092 -3.160 -4.141 1.00 0.00 H new ATOM 992 N ALA A 59 -4.277 0.212 -0.507 1.00 0.00 N ATOM 993 CA ALA A 59 -4.006 1.485 0.204 1.00 0.00 C ATOM 994 C ALA A 59 -2.499 1.716 0.186 1.00 0.00 C ATOM 995 O ALA A 59 -2.025 2.827 0.043 1.00 0.00 O ATOM 996 CB ALA A 59 -4.497 1.383 1.650 1.00 0.00 C ATOM 0 H ALA A 59 -4.738 -0.509 0.047 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.524 2.312 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.296 2.320 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.569 1.187 1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.976 0.570 2.155 1.00 0.00 H new ATOM 1002 N ALA A 60 -1.743 0.662 0.332 1.00 0.00 N ATOM 1003 CA ALA A 60 -0.260 0.794 0.328 1.00 0.00 C ATOM 1004 C ALA A 60 0.213 1.345 -1.020 1.00 0.00 C ATOM 1005 O ALA A 60 0.796 2.407 -1.091 1.00 0.00 O ATOM 1006 CB ALA A 60 0.372 -0.580 0.565 1.00 0.00 C ATOM 0 H ALA A 60 -2.091 -0.289 0.454 1.00 0.00 H new ATOM 0 HA ALA A 60 0.040 1.480 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.458 -0.486 0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.044 -0.970 1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.065 -1.263 -0.227 1.00 0.00 H new ATOM 1012 N ILE A 61 -0.022 0.632 -2.090 1.00 0.00 N ATOM 1013 CA ILE A 61 0.433 1.127 -3.423 1.00 0.00 C ATOM 1014 C ILE A 61 -0.169 2.511 -3.693 1.00 0.00 C ATOM 1015 O ILE A 61 0.486 3.394 -4.212 1.00 0.00 O ATOM 1016 CB ILE A 61 -0.004 0.138 -4.519 1.00 0.00 C ATOM 1017 CG1 ILE A 61 0.913 0.285 -5.738 1.00 0.00 C ATOM 1018 CG2 ILE A 61 -1.449 0.417 -4.942 1.00 0.00 C ATOM 1019 CD1 ILE A 61 0.355 -0.540 -6.902 1.00 0.00 C ATOM 0 H ILE A 61 -0.506 -0.266 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 61 1.520 1.206 -3.428 1.00 0.00 H new ATOM 0 HB ILE A 61 0.064 -0.875 -4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.988 1.334 -6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.920 -0.051 -5.491 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.744 -0.290 -5.717 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.108 0.307 -4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.525 1.433 -5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.008 -0.435 -7.768 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.303 -1.589 -6.612 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.644 -0.184 -7.155 1.00 0.00 H new ATOM 1031 N CYS A 62 -1.413 2.704 -3.348 1.00 0.00 N ATOM 1032 CA CYS A 62 -2.060 4.024 -3.588 1.00 0.00 C ATOM 1033 C CYS A 62 -1.229 5.137 -2.945 1.00 0.00 C ATOM 1034 O CYS A 62 -0.591 5.918 -3.625 1.00 0.00 O ATOM 1035 CB CYS A 62 -3.463 4.017 -2.982 1.00 0.00 C ATOM 1036 SG CYS A 62 -4.513 2.873 -3.912 1.00 0.00 S ATOM 0 H CYS A 62 -2.010 2.003 -2.909 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.125 4.204 -4.661 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.418 3.717 -1.935 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.887 5.021 -3.008 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.257 1.653 -3.544 1.00 0.00 H new ATOM 1042 N ARG A 63 -1.230 5.224 -1.643 1.00 0.00 N ATOM 1043 CA ARG A 63 -0.438 6.296 -0.980 1.00 0.00 C ATOM 1044 C ARG A 63 1.012 6.225 -1.456 1.00 0.00 C ATOM 1045 O ARG A 63 1.605 7.227 -1.801 1.00 0.00 O ATOM 1046 CB ARG A 63 -0.472 6.117 0.533 1.00 0.00 C ATOM 1047 CG ARG A 63 -1.917 5.956 1.006 1.00 0.00 C ATOM 1048 CD ARG A 63 -1.949 5.810 2.530 1.00 0.00 C ATOM 1049 NE ARG A 63 -0.888 4.857 2.965 1.00 0.00 N ATOM 1050 CZ ARG A 63 -1.015 4.204 4.089 1.00 0.00 C ATOM 1051 NH1 ARG A 63 -2.071 4.384 4.835 1.00 0.00 N ATOM 1052 NH2 ARG A 63 -0.084 3.373 4.468 1.00 0.00 N ATOM 0 H ARG A 63 -1.741 4.604 -1.014 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.870 7.263 -1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.113 5.242 0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.015 6.978 1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.508 6.820 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.368 5.081 0.538 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.795 6.781 3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.927 5.451 2.850 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.062 4.715 2.384 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.799 5.035 4.540 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.169 3.873 5.712 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.743 3.233 3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.182 2.863 5.346 1.00 0.00 H new ATOM 1066 N LYS A 64 1.588 5.049 -1.487 1.00 0.00 N ATOM 1067 CA LYS A 64 2.998 4.927 -1.958 1.00 0.00 C ATOM 1068 C LYS A 64 3.158 5.817 -3.185 1.00 0.00 C ATOM 1069 O LYS A 64 4.152 6.493 -3.363 1.00 0.00 O ATOM 1070 CB LYS A 64 3.297 3.472 -2.336 1.00 0.00 C ATOM 1071 CG LYS A 64 4.791 3.310 -2.655 1.00 0.00 C ATOM 1072 CD LYS A 64 5.561 2.940 -1.382 1.00 0.00 C ATOM 1073 CE LYS A 64 5.180 1.524 -0.924 1.00 0.00 C ATOM 1074 NZ LYS A 64 6.409 0.799 -0.492 1.00 0.00 N ATOM 0 H LYS A 64 1.144 4.174 -1.208 1.00 0.00 H new ATOM 0 HA LYS A 64 3.688 5.230 -1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.017 2.810 -1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.698 3.181 -3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.928 2.537 -3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.185 4.237 -3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.634 2.993 -1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.339 3.658 -0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.466 1.575 -0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.693 0.985 -1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.155 -0.160 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.075 0.740 -1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.855 1.311 0.295 1.00 0.00 H new ATOM 1088 N ALA A 65 2.157 5.834 -4.018 1.00 0.00 N ATOM 1089 CA ALA A 65 2.203 6.692 -5.228 1.00 0.00 C ATOM 1090 C ALA A 65 2.001 8.147 -4.802 1.00 0.00 C ATOM 1091 O ALA A 65 2.615 9.051 -5.332 1.00 0.00 O ATOM 1092 CB ALA A 65 1.091 6.277 -6.193 1.00 0.00 C ATOM 0 H ALA A 65 1.304 5.286 -3.910 1.00 0.00 H new ATOM 0 HA ALA A 65 3.165 6.582 -5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.126 6.908 -7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.230 5.235 -6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.124 6.392 -5.704 1.00 0.00 H new ATOM 1098 N ALA A 66 1.139 8.381 -3.845 1.00 0.00 N ATOM 1099 CA ALA A 66 0.899 9.779 -3.387 1.00 0.00 C ATOM 1100 C ALA A 66 2.209 10.382 -2.872 1.00 0.00 C ATOM 1101 O ALA A 66 2.611 11.454 -3.278 1.00 0.00 O ATOM 1102 CB ALA A 66 -0.138 9.775 -2.261 1.00 0.00 C ATOM 0 H ALA A 66 0.594 7.666 -3.364 1.00 0.00 H new ATOM 0 HA ALA A 66 0.529 10.375 -4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.314 10.797 -1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.071 9.347 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.232 9.178 -1.428 1.00 0.00 H new ATOM 1108 N LYS A 67 2.875 9.702 -1.979 1.00 0.00 N ATOM 1109 CA LYS A 67 4.157 10.236 -1.436 1.00 0.00 C ATOM 1110 C LYS A 67 5.107 10.563 -2.589 1.00 0.00 C ATOM 1111 O LYS A 67 5.820 11.547 -2.560 1.00 0.00 O ATOM 1112 CB LYS A 67 4.801 9.186 -0.524 1.00 0.00 C ATOM 1113 CG LYS A 67 5.863 9.851 0.363 1.00 0.00 C ATOM 1114 CD LYS A 67 5.204 10.423 1.627 1.00 0.00 C ATOM 1115 CE LYS A 67 5.140 9.342 2.711 1.00 0.00 C ATOM 1116 NZ LYS A 67 6.509 9.096 3.249 1.00 0.00 N ATOM 0 H LYS A 67 2.587 8.799 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 67 3.958 11.143 -0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.040 8.713 0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.256 8.399 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.627 9.124 0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.364 10.647 -0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.772 11.281 1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.200 10.780 1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.473 9.656 3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.729 8.421 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.440 8.734 4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.996 8.397 2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.047 9.986 3.249 1.00 0.00 H new ATOM 1130 N ALA A 68 5.127 9.743 -3.600 1.00 0.00 N ATOM 1131 CA ALA A 68 6.034 10.001 -4.753 1.00 0.00 C ATOM 1132 C ALA A 68 5.816 11.425 -5.272 1.00 0.00 C ATOM 1133 O ALA A 68 6.541 11.903 -6.123 1.00 0.00 O ATOM 1134 CB ALA A 68 5.736 9.002 -5.871 1.00 0.00 C ATOM 0 H ALA A 68 4.554 8.903 -3.679 1.00 0.00 H new ATOM 0 HA ALA A 68 7.069 9.888 -4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.400 9.191 -6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.895 7.988 -5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.700 9.114 -6.192 1.00 0.00 H new ATOM 1140 N ILE A 69 4.822 12.109 -4.771 1.00 0.00 N ATOM 1141 CA ILE A 69 4.565 13.499 -5.244 1.00 0.00 C ATOM 1142 C ILE A 69 5.853 14.320 -5.138 1.00 0.00 C ATOM 1143 O ILE A 69 6.068 15.254 -5.885 1.00 0.00 O ATOM 1144 CB ILE A 69 3.474 14.145 -4.383 1.00 0.00 C ATOM 1145 CG1 ILE A 69 3.112 15.522 -4.952 1.00 0.00 C ATOM 1146 CG2 ILE A 69 3.984 14.310 -2.951 1.00 0.00 C ATOM 1147 CD1 ILE A 69 2.463 15.367 -6.332 1.00 0.00 C ATOM 0 H ILE A 69 4.179 11.766 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 69 4.235 13.471 -6.282 1.00 0.00 H new ATOM 0 HB ILE A 69 2.590 13.507 -4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.429 16.035 -4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.007 16.139 -5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.208 14.769 -2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.239 13.333 -2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.870 14.945 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.210 16.351 -6.727 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.160 14.872 -7.008 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.557 14.767 -6.243 1.00 0.00 H new ATOM 1159 N VAL A 70 6.711 13.979 -4.216 1.00 0.00 N ATOM 1160 CA VAL A 70 7.983 14.740 -4.064 1.00 0.00 C ATOM 1161 C VAL A 70 8.737 14.746 -5.396 1.00 0.00 C ATOM 1162 O VAL A 70 9.742 15.411 -5.548 1.00 0.00 O ATOM 1163 CB VAL A 70 8.847 14.079 -2.990 1.00 0.00 C ATOM 1164 CG1 VAL A 70 8.168 14.225 -1.627 1.00 0.00 C ATOM 1165 CG2 VAL A 70 9.019 12.595 -3.318 1.00 0.00 C ATOM 0 H VAL A 70 6.586 13.207 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 70 7.760 15.766 -3.770 1.00 0.00 H new ATOM 0 HB VAL A 70 9.824 14.561 -2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.784 13.754 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.045 15.282 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.191 13.743 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.635 12.122 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.042 12.113 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.503 12.491 -4.289 1.00 0.00 H new ATOM 1175 N ALA A 71 8.260 14.007 -6.361 1.00 0.00 N ATOM 1176 CA ALA A 71 8.950 13.970 -7.682 1.00 0.00 C ATOM 1177 C ALA A 71 8.686 15.276 -8.433 1.00 0.00 C ATOM 1178 O ALA A 71 8.466 16.313 -7.838 1.00 0.00 O ATOM 1179 CB ALA A 71 8.418 12.793 -8.501 1.00 0.00 C ATOM 0 H ALA A 71 7.423 13.428 -6.292 1.00 0.00 H new ATOM 0 HA ALA A 71 10.023 13.851 -7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.922 12.765 -9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.607 11.862 -7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.345 12.912 -8.654 1.00 0.00 H new ATOM 1185 N GLU A 72 8.705 15.236 -9.738 1.00 0.00 N ATOM 1186 CA GLU A 72 8.454 16.475 -10.524 1.00 0.00 C ATOM 1187 C GLU A 72 6.963 16.817 -10.479 1.00 0.00 C ATOM 1188 O GLU A 72 6.350 17.093 -11.490 1.00 0.00 O ATOM 1189 CB GLU A 72 8.885 16.252 -11.977 1.00 0.00 C ATOM 1190 CG GLU A 72 9.046 17.604 -12.677 1.00 0.00 C ATOM 1191 CD GLU A 72 9.455 17.379 -14.135 1.00 0.00 C ATOM 1192 OE1 GLU A 72 10.402 16.643 -14.357 1.00 0.00 O ATOM 1193 OE2 GLU A 72 8.813 17.947 -15.003 1.00 0.00 O ATOM 0 H GLU A 72 8.884 14.399 -10.292 1.00 0.00 H new ATOM 0 HA GLU A 72 9.026 17.299 -10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.825 15.701 -12.008 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.143 15.647 -12.498 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.111 18.162 -12.633 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.799 18.203 -12.165 1.00 0.00 H new ATOM 1200 N GLU A 73 6.377 16.801 -9.313 1.00 0.00 N ATOM 1201 CA GLU A 73 4.927 17.125 -9.199 1.00 0.00 C ATOM 1202 C GLU A 73 4.129 16.261 -10.179 1.00 0.00 C ATOM 1203 O GLU A 73 3.642 15.204 -9.833 1.00 0.00 O ATOM 1204 CB GLU A 73 4.707 18.604 -9.525 1.00 0.00 C ATOM 1205 CG GLU A 73 5.339 19.467 -8.431 1.00 0.00 C ATOM 1206 CD GLU A 73 5.144 20.945 -8.769 1.00 0.00 C ATOM 1207 OE1 GLU A 73 4.799 21.234 -9.903 1.00 0.00 O ATOM 1208 OE2 GLU A 73 5.342 21.766 -7.887 1.00 0.00 O ATOM 0 H GLU A 73 6.841 16.577 -8.433 1.00 0.00 H new ATOM 0 HA GLU A 73 4.590 16.923 -8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.148 18.844 -10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.640 18.816 -9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.884 19.241 -7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.402 19.240 -8.343 1.00 0.00 H new ATOM 1215 N ARG A 74 3.989 16.706 -11.399 1.00 0.00 N ATOM 1216 CA ARG A 74 3.222 15.915 -12.402 1.00 0.00 C ATOM 1217 C ARG A 74 1.733 15.941 -12.043 1.00 0.00 C ATOM 1218 O ARG A 74 0.880 16.047 -12.901 1.00 0.00 O ATOM 1219 CB ARG A 74 3.726 14.465 -12.410 1.00 0.00 C ATOM 1220 CG ARG A 74 3.514 13.847 -13.800 1.00 0.00 C ATOM 1221 CD ARG A 74 4.698 14.190 -14.708 1.00 0.00 C ATOM 1222 NE ARG A 74 5.815 13.240 -14.448 1.00 0.00 N ATOM 1223 CZ ARG A 74 5.820 12.064 -15.016 1.00 0.00 C ATOM 1224 NH1 ARG A 74 4.846 11.720 -15.813 1.00 0.00 N ATOM 1225 NH2 ARG A 74 6.800 11.233 -14.787 1.00 0.00 N ATOM 0 H ARG A 74 4.374 17.585 -11.744 1.00 0.00 H new ATOM 0 HA ARG A 74 3.363 16.350 -13.391 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.783 14.437 -12.147 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.195 13.882 -11.658 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.411 12.765 -13.715 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.589 14.222 -14.237 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.396 14.135 -15.754 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.026 15.213 -14.524 1.00 0.00 H new ATOM 0 HE ARG A 74 6.577 13.508 -13.825 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.080 12.370 -15.993 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.850 10.801 -16.257 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.562 11.502 -14.164 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.804 10.314 -15.231 1.00 0.00 H new ATOM 1239 N LYS A 75 1.417 15.848 -10.780 1.00 0.00 N ATOM 1240 CA LYS A 75 -0.015 15.870 -10.367 1.00 0.00 C ATOM 1241 C LYS A 75 -0.757 14.714 -11.042 1.00 0.00 C ATOM 1242 O LYS A 75 -0.335 14.203 -12.060 1.00 0.00 O ATOM 1243 CB LYS A 75 -0.646 17.201 -10.785 1.00 0.00 C ATOM 1244 CG LYS A 75 -1.926 17.438 -9.981 1.00 0.00 C ATOM 1245 CD LYS A 75 -2.677 18.638 -10.558 1.00 0.00 C ATOM 1246 CE LYS A 75 -3.978 18.848 -9.784 1.00 0.00 C ATOM 1247 NZ LYS A 75 -4.618 20.120 -10.225 1.00 0.00 N ATOM 0 H LYS A 75 2.088 15.758 -10.017 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.085 15.762 -9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.057 18.017 -10.617 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.871 17.189 -11.851 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.558 16.550 -10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.682 17.618 -8.934 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.057 19.532 -10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.893 18.472 -11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.654 18.010 -9.954 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.775 18.882 -8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.503 20.264 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.973 20.915 -10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.825 20.070 -11.243 1.00 0.00 H new ATOM 1261 N ARG A 76 -1.861 14.296 -10.483 1.00 0.00 N ATOM 1262 CA ARG A 76 -2.626 13.172 -11.094 1.00 0.00 C ATOM 1263 C ARG A 76 -1.665 12.034 -11.446 1.00 0.00 C ATOM 1264 O ARG A 76 -1.146 11.965 -12.544 1.00 0.00 O ATOM 1265 CB ARG A 76 -3.327 13.660 -12.364 1.00 0.00 C ATOM 1266 CG ARG A 76 -4.228 14.851 -12.028 1.00 0.00 C ATOM 1267 CD ARG A 76 -5.265 15.042 -13.138 1.00 0.00 C ATOM 1268 NE ARG A 76 -4.580 15.047 -14.462 1.00 0.00 N ATOM 1269 CZ ARG A 76 -5.281 15.157 -15.558 1.00 0.00 C ATOM 1270 NH1 ARG A 76 -6.580 15.259 -15.495 1.00 0.00 N ATOM 1271 NH2 ARG A 76 -4.680 15.165 -16.717 1.00 0.00 N ATOM 0 H ARG A 76 -2.265 14.684 -9.631 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.372 12.813 -10.385 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.588 13.950 -13.111 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.919 12.854 -12.797 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.728 14.683 -11.074 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.628 15.754 -11.918 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.004 14.241 -13.102 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.803 15.979 -12.991 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.565 14.965 -14.512 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.049 15.253 -14.589 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.127 15.345 -16.352 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.664 15.085 -16.765 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.226 15.251 -17.574 1.00 0.00 H new ATOM 1285 N ILE A 77 -1.419 11.144 -10.524 1.00 0.00 N ATOM 1286 CA ILE A 77 -0.487 10.015 -10.805 1.00 0.00 C ATOM 1287 C ILE A 77 -1.260 8.846 -11.421 1.00 0.00 C ATOM 1288 O ILE A 77 -2.103 8.243 -10.787 1.00 0.00 O ATOM 1289 CB ILE A 77 0.166 9.560 -9.501 1.00 0.00 C ATOM 1290 CG1 ILE A 77 0.686 10.781 -8.742 1.00 0.00 C ATOM 1291 CG2 ILE A 77 1.333 8.621 -9.816 1.00 0.00 C ATOM 1292 CD1 ILE A 77 1.370 10.328 -7.453 1.00 0.00 C ATOM 0 H ILE A 77 -1.823 11.150 -9.588 1.00 0.00 H new ATOM 0 HA ILE A 77 0.281 10.347 -11.504 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.568 9.035 -8.889 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.389 11.336 -9.363 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.138 11.456 -8.511 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.800 8.296 -8.886 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.964 7.752 -10.360 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.068 9.146 -10.426 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.741 11.199 -6.912 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.654 9.792 -6.830 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.204 9.670 -7.696 1.00 0.00 H new ATOM 1304 N THR A 78 -0.971 8.518 -12.652 1.00 0.00 N ATOM 1305 CA THR A 78 -1.681 7.385 -13.309 1.00 0.00 C ATOM 1306 C THR A 78 -0.958 6.079 -12.973 1.00 0.00 C ATOM 1307 O THR A 78 0.241 5.963 -13.135 1.00 0.00 O ATOM 1308 CB THR A 78 -1.684 7.600 -14.827 1.00 0.00 C ATOM 1309 OG1 THR A 78 -0.513 8.312 -15.206 1.00 0.00 O ATOM 1310 CG2 THR A 78 -2.922 8.403 -15.232 1.00 0.00 C ATOM 0 H THR A 78 -0.274 8.987 -13.230 1.00 0.00 H new ATOM 0 HA THR A 78 -2.709 7.334 -12.951 1.00 0.00 H new ATOM 0 HB THR A 78 -1.702 6.632 -15.329 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.513 8.449 -16.176 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.921 8.554 -16.312 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.820 7.857 -14.943 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.908 9.371 -14.730 1.00 0.00 H new ATOM 1318 N VAL A 79 -1.678 5.097 -12.500 1.00 0.00 N ATOM 1319 CA VAL A 79 -1.034 3.797 -12.145 1.00 0.00 C ATOM 1320 C VAL A 79 -1.355 2.751 -13.214 1.00 0.00 C ATOM 1321 O VAL A 79 -2.431 2.187 -13.241 1.00 0.00 O ATOM 1322 CB VAL A 79 -1.568 3.319 -10.793 1.00 0.00 C ATOM 1323 CG1 VAL A 79 -0.903 1.988 -10.418 1.00 0.00 C ATOM 1324 CG2 VAL A 79 -1.254 4.371 -9.723 1.00 0.00 C ATOM 0 H VAL A 79 -2.685 5.138 -12.344 1.00 0.00 H new ATOM 0 HA VAL A 79 0.046 3.934 -12.087 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.647 3.176 -10.857 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.285 1.649 -9.455 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.127 1.242 -11.180 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.176 2.126 -10.352 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.633 4.033 -8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.175 4.514 -9.659 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.730 5.315 -9.990 1.00 0.00 H new ATOM 1334 N THR A 80 -0.425 2.484 -14.093 1.00 0.00 N ATOM 1335 CA THR A 80 -0.668 1.469 -15.160 1.00 0.00 C ATOM 1336 C THR A 80 -0.040 0.138 -14.738 1.00 0.00 C ATOM 1337 O THR A 80 0.785 0.087 -13.847 1.00 0.00 O ATOM 1338 CB THR A 80 -0.031 1.947 -16.470 1.00 0.00 C ATOM 1339 OG1 THR A 80 -0.177 3.356 -16.577 1.00 0.00 O ATOM 1340 CG2 THR A 80 -0.720 1.272 -17.659 1.00 0.00 C ATOM 0 H THR A 80 0.494 2.926 -14.118 1.00 0.00 H new ATOM 0 HA THR A 80 -1.740 1.336 -15.307 1.00 0.00 H new ATOM 0 HB THR A 80 1.027 1.686 -16.473 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.512 3.798 -16.038 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.263 1.615 -18.587 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.609 0.191 -17.578 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.779 1.529 -17.659 1.00 0.00 H new ATOM 1348 N GLU A 81 -0.422 -0.941 -15.366 1.00 0.00 N ATOM 1349 CA GLU A 81 0.158 -2.264 -14.995 1.00 0.00 C ATOM 1350 C GLU A 81 1.679 -2.142 -14.876 1.00 0.00 C ATOM 1351 O GLU A 81 2.309 -2.838 -14.104 1.00 0.00 O ATOM 1352 CB GLU A 81 -0.190 -3.294 -16.071 1.00 0.00 C ATOM 1353 CG GLU A 81 0.468 -2.895 -17.394 1.00 0.00 C ATOM 1354 CD GLU A 81 -0.080 -3.772 -18.521 1.00 0.00 C ATOM 1355 OE1 GLU A 81 -0.905 -4.624 -18.235 1.00 0.00 O ATOM 1356 OE2 GLU A 81 0.336 -3.577 -19.651 1.00 0.00 O ATOM 0 H GLU A 81 -1.110 -0.964 -16.119 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.255 -2.585 -14.039 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.152 -4.283 -15.766 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.271 -3.355 -16.195 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.271 -1.844 -17.608 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.550 -3.009 -17.323 1.00 0.00 H new ATOM 1363 N LYS A 82 2.274 -1.260 -15.632 1.00 0.00 N ATOM 1364 CA LYS A 82 3.753 -1.092 -15.558 1.00 0.00 C ATOM 1365 C LYS A 82 4.112 -0.367 -14.258 1.00 0.00 C ATOM 1366 O LYS A 82 4.746 -0.920 -13.383 1.00 0.00 O ATOM 1367 CB LYS A 82 4.232 -0.267 -16.755 1.00 0.00 C ATOM 1368 CG LYS A 82 5.760 -0.328 -16.843 1.00 0.00 C ATOM 1369 CD LYS A 82 6.227 0.251 -18.186 1.00 0.00 C ATOM 1370 CE LYS A 82 6.247 -0.851 -19.248 1.00 0.00 C ATOM 1371 NZ LYS A 82 6.228 -0.234 -20.605 1.00 0.00 N ATOM 0 H LYS A 82 1.800 -0.649 -16.297 1.00 0.00 H new ATOM 0 HA LYS A 82 4.236 -2.069 -15.577 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.789 -0.650 -17.674 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.905 0.767 -16.651 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.203 0.233 -16.021 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.098 -1.359 -16.744 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.561 1.056 -18.497 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.222 0.684 -18.079 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.138 -1.468 -19.130 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.386 -1.507 -19.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.242 -0.983 -21.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.366 0.337 -20.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.063 0.374 -20.721 1.00 0.00 H new ATOM 1385 N ASN A 83 3.701 0.867 -14.128 1.00 0.00 N ATOM 1386 CA ASN A 83 4.003 1.640 -12.887 1.00 0.00 C ATOM 1387 C ASN A 83 3.829 0.741 -11.658 1.00 0.00 C ATOM 1388 O ASN A 83 4.566 0.837 -10.698 1.00 0.00 O ATOM 1389 CB ASN A 83 3.049 2.832 -12.786 1.00 0.00 C ATOM 1390 CG ASN A 83 3.209 3.721 -14.020 1.00 0.00 C ATOM 1391 OD1 ASN A 83 2.155 4.277 -14.552 1.00 0.00 O flip ATOM 1392 ND2 ASN A 83 4.306 3.914 -14.505 1.00 0.00 N flip ATOM 0 H ASN A 83 3.166 1.375 -14.832 1.00 0.00 H new ATOM 0 HA ASN A 83 5.032 1.996 -12.927 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.020 2.482 -12.708 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.260 3.404 -11.883 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.131 3.480 -14.090 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.402 4.510 -15.327 1.00 0.00 H new ATOM 1399 N LEU A 84 2.849 -0.123 -11.680 1.00 0.00 N ATOM 1400 CA LEU A 84 2.608 -1.026 -10.515 1.00 0.00 C ATOM 1401 C LEU A 84 3.944 -1.494 -9.924 1.00 0.00 C ATOM 1402 O LEU A 84 4.217 -1.301 -8.756 1.00 0.00 O ATOM 1403 CB LEU A 84 1.801 -2.243 -10.983 1.00 0.00 C ATOM 1404 CG LEU A 84 1.055 -2.866 -9.797 1.00 0.00 C ATOM 1405 CD1 LEU A 84 0.190 -4.027 -10.293 1.00 0.00 C ATOM 1406 CD2 LEU A 84 2.064 -3.384 -8.766 1.00 0.00 C ATOM 0 H LEU A 84 2.201 -0.243 -12.459 1.00 0.00 H new ATOM 0 HA LEU A 84 2.054 -0.485 -9.748 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.090 -1.944 -11.753 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.467 -2.980 -11.432 1.00 0.00 H new ATOM 0 HG LEU A 84 0.421 -2.111 -9.332 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.341 -4.471 -9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.531 -3.658 -11.023 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.825 -4.780 -10.759 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.530 -3.826 -7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.701 -4.138 -9.228 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.679 -2.557 -8.411 1.00 0.00 H new ATOM 1418 N GLN A 85 4.781 -2.108 -10.716 1.00 0.00 N ATOM 1419 CA GLN A 85 6.092 -2.582 -10.185 1.00 0.00 C ATOM 1420 C GLN A 85 6.888 -1.391 -9.640 1.00 0.00 C ATOM 1421 O GLN A 85 7.540 -1.482 -8.619 1.00 0.00 O ATOM 1422 CB GLN A 85 6.883 -3.270 -11.304 1.00 0.00 C ATOM 1423 CG GLN A 85 7.482 -2.218 -12.244 1.00 0.00 C ATOM 1424 CD GLN A 85 7.842 -2.871 -13.581 1.00 0.00 C ATOM 1425 OE1 GLN A 85 8.952 -2.736 -14.057 1.00 0.00 O ATOM 1426 NE2 GLN A 85 6.943 -3.576 -14.212 1.00 0.00 N ATOM 0 H GLN A 85 4.615 -2.301 -11.704 1.00 0.00 H new ATOM 0 HA GLN A 85 5.919 -3.295 -9.379 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.677 -3.882 -10.876 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.230 -3.940 -11.863 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.769 -1.409 -12.403 1.00 0.00 H new ATOM 0 HG3 GLN A 85 8.370 -1.776 -11.793 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.011 -3.689 -13.813 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.172 -4.014 -15.104 1.00 0.00 H new ATOM 1435 N ASP A 86 6.843 -0.276 -10.318 1.00 0.00 N ATOM 1436 CA ASP A 86 7.601 0.918 -9.845 1.00 0.00 C ATOM 1437 C ASP A 86 7.216 1.243 -8.399 1.00 0.00 C ATOM 1438 O ASP A 86 8.050 1.620 -7.599 1.00 0.00 O ATOM 1439 CB ASP A 86 7.280 2.118 -10.739 1.00 0.00 C ATOM 1440 CG ASP A 86 7.522 1.744 -12.203 1.00 0.00 C ATOM 1441 OD1 ASP A 86 7.916 0.616 -12.448 1.00 0.00 O ATOM 1442 OD2 ASP A 86 7.310 2.593 -13.054 1.00 0.00 O ATOM 0 H ASP A 86 6.314 -0.140 -11.179 1.00 0.00 H new ATOM 0 HA ASP A 86 8.668 0.703 -9.892 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.243 2.423 -10.597 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.903 2.968 -10.462 1.00 0.00 H new ATOM 1447 N PHE A 87 5.965 1.106 -8.053 1.00 0.00 N ATOM 1448 CA PHE A 87 5.547 1.414 -6.656 1.00 0.00 C ATOM 1449 C PHE A 87 5.920 0.243 -5.751 1.00 0.00 C ATOM 1450 O PHE A 87 6.701 0.376 -4.830 1.00 0.00 O ATOM 1451 CB PHE A 87 4.031 1.623 -6.600 1.00 0.00 C ATOM 1452 CG PHE A 87 3.636 2.794 -7.470 1.00 0.00 C ATOM 1453 CD1 PHE A 87 4.124 4.076 -7.189 1.00 0.00 C ATOM 1454 CD2 PHE A 87 2.773 2.598 -8.557 1.00 0.00 C ATOM 1455 CE1 PHE A 87 3.751 5.160 -7.992 1.00 0.00 C ATOM 1456 CE2 PHE A 87 2.401 3.682 -9.359 1.00 0.00 C ATOM 1457 CZ PHE A 87 2.889 4.963 -9.077 1.00 0.00 C ATOM 0 H PHE A 87 5.218 0.796 -8.674 1.00 0.00 H new ATOM 0 HA PHE A 87 6.051 2.321 -6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.519 0.721 -6.936 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.718 1.802 -5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.789 4.229 -6.352 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.395 1.610 -8.775 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.128 6.148 -7.774 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.736 3.530 -10.197 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.601 5.799 -9.696 1.00 0.00 H new ATOM 1467 N ILE A 88 5.363 -0.903 -6.010 1.00 0.00 N ATOM 1468 CA ILE A 88 5.673 -2.090 -5.173 1.00 0.00 C ATOM 1469 C ILE A 88 7.094 -2.575 -5.483 1.00 0.00 C ATOM 1470 O ILE A 88 7.957 -2.578 -4.627 1.00 0.00 O ATOM 1471 CB ILE A 88 4.649 -3.188 -5.482 1.00 0.00 C ATOM 1472 CG1 ILE A 88 3.483 -3.097 -4.490 1.00 0.00 C ATOM 1473 CG2 ILE A 88 5.296 -4.569 -5.379 1.00 0.00 C ATOM 1474 CD1 ILE A 88 2.300 -3.912 -5.017 1.00 0.00 C ATOM 0 H ILE A 88 4.703 -1.069 -6.770 1.00 0.00 H new ATOM 0 HA ILE A 88 5.618 -1.835 -4.115 1.00 0.00 H new ATOM 0 HB ILE A 88 4.282 -3.046 -6.498 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.791 -3.473 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.189 -2.056 -4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.554 -5.336 -5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.117 -4.640 -6.093 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.679 -4.717 -4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.471 -3.848 -4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.987 -3.516 -5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.598 -4.954 -5.132 1.00 0.00 H new ATOM 1486 N GLY A 89 7.344 -2.985 -6.698 1.00 0.00 N ATOM 1487 CA GLY A 89 8.709 -3.470 -7.060 1.00 0.00 C ATOM 1488 C GLY A 89 8.593 -4.681 -7.987 1.00 0.00 C ATOM 1489 O GLY A 89 9.173 -4.714 -9.054 1.00 0.00 O ATOM 0 H GLY A 89 6.662 -3.005 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.270 -2.675 -7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.261 -3.740 -6.160 1.00 0.00 H new ATOM 1493 N LYS A 90 7.849 -5.678 -7.589 1.00 0.00 N ATOM 1494 CA LYS A 90 7.701 -6.887 -8.450 1.00 0.00 C ATOM 1495 C LYS A 90 6.376 -7.586 -8.133 1.00 0.00 C ATOM 1496 O LYS A 90 5.591 -7.114 -7.334 1.00 0.00 O ATOM 1497 CB LYS A 90 8.862 -7.848 -8.181 1.00 0.00 C ATOM 1498 CG LYS A 90 8.738 -8.419 -6.765 1.00 0.00 C ATOM 1499 CD LYS A 90 10.075 -9.037 -6.334 1.00 0.00 C ATOM 1500 CE LYS A 90 10.965 -7.963 -5.703 1.00 0.00 C ATOM 1501 NZ LYS A 90 12.229 -8.588 -5.218 1.00 0.00 N ATOM 0 H LYS A 90 7.338 -5.708 -6.707 1.00 0.00 H new ATOM 0 HA LYS A 90 7.709 -6.588 -9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.855 -8.656 -8.912 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.813 -7.326 -8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.450 -7.631 -6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.952 -9.173 -6.735 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.900 -9.842 -5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.577 -9.478 -7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.188 -7.185 -6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.443 -7.483 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.834 -7.859 -4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.007 -9.315 -4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.729 -9.026 -6.018 1.00 0.00 H new ATOM 1515 N ARG A 91 6.124 -8.708 -8.755 1.00 0.00 N ATOM 1516 CA ARG A 91 4.851 -9.448 -8.499 1.00 0.00 C ATOM 1517 C ARG A 91 5.164 -10.764 -7.781 1.00 0.00 C ATOM 1518 O ARG A 91 6.308 -11.091 -7.536 1.00 0.00 O ATOM 1519 CB ARG A 91 4.164 -9.747 -9.836 1.00 0.00 C ATOM 1520 CG ARG A 91 3.428 -8.493 -10.332 1.00 0.00 C ATOM 1521 CD ARG A 91 3.451 -8.451 -11.863 1.00 0.00 C ATOM 1522 NE ARG A 91 4.747 -7.878 -12.323 1.00 0.00 N ATOM 1523 CZ ARG A 91 4.903 -7.533 -13.571 1.00 0.00 C ATOM 1524 NH1 ARG A 91 3.923 -7.692 -14.419 1.00 0.00 N ATOM 1525 NH2 ARG A 91 6.038 -7.027 -13.971 1.00 0.00 N ATOM 0 H ARG A 91 6.748 -9.146 -9.433 1.00 0.00 H new ATOM 0 HA ARG A 91 4.193 -8.842 -7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.903 -10.062 -10.573 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.460 -10.571 -9.718 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.398 -8.499 -9.974 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.901 -7.598 -9.927 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.321 -9.455 -12.267 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.622 -7.848 -12.234 1.00 0.00 H new ATOM 0 HE ARG A 91 5.513 -7.755 -11.661 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.036 -8.086 -14.105 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.044 -7.422 -15.395 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.803 -6.902 -13.308 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.160 -6.757 -14.947 1.00 0.00 H new ATOM 1539 N ILE A 92 4.154 -11.523 -7.440 1.00 0.00 N ATOM 1540 CA ILE A 92 4.392 -12.818 -6.736 1.00 0.00 C ATOM 1541 C ILE A 92 4.349 -13.965 -7.750 1.00 0.00 C ATOM 1542 O ILE A 92 5.367 -14.510 -8.129 1.00 0.00 O ATOM 1543 CB ILE A 92 3.308 -13.041 -5.673 1.00 0.00 C ATOM 1544 CG1 ILE A 92 3.029 -11.731 -4.915 1.00 0.00 C ATOM 1545 CG2 ILE A 92 3.772 -14.119 -4.691 1.00 0.00 C ATOM 1546 CD1 ILE A 92 4.211 -11.376 -4.007 1.00 0.00 C ATOM 0 H ILE A 92 3.175 -11.301 -7.619 1.00 0.00 H new ATOM 0 HA ILE A 92 5.369 -12.789 -6.254 1.00 0.00 H new ATOM 0 HB ILE A 92 2.390 -13.365 -6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.853 -10.923 -5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.123 -11.835 -4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.003 -14.278 -3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.950 -15.050 -5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.695 -13.798 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.997 -10.447 -3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.368 -12.177 -3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.109 -11.251 -4.611 1.00 0.00 H new ATOM 1558 N PHE A 93 3.177 -14.343 -8.189 1.00 0.00 N ATOM 1559 CA PHE A 93 3.071 -15.457 -9.172 1.00 0.00 C ATOM 1560 C PHE A 93 3.331 -14.923 -10.583 1.00 0.00 C ATOM 1561 O PHE A 93 2.630 -14.057 -11.067 1.00 0.00 O ATOM 1562 CB PHE A 93 1.665 -16.067 -9.104 1.00 0.00 C ATOM 1563 CG PHE A 93 1.147 -16.003 -7.686 1.00 0.00 C ATOM 1564 CD1 PHE A 93 1.997 -16.300 -6.612 1.00 0.00 C ATOM 1565 CD2 PHE A 93 -0.186 -15.646 -7.443 1.00 0.00 C ATOM 1566 CE1 PHE A 93 1.514 -16.240 -5.299 1.00 0.00 C ATOM 1567 CE2 PHE A 93 -0.667 -15.587 -6.131 1.00 0.00 C ATOM 1568 CZ PHE A 93 0.183 -15.883 -5.058 1.00 0.00 C ATOM 0 H PHE A 93 2.289 -13.927 -7.908 1.00 0.00 H new ATOM 0 HA PHE A 93 3.810 -16.222 -8.934 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.992 -15.528 -9.771 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.691 -17.102 -9.445 1.00 0.00 H new ATOM 0 HD1 PHE A 93 3.025 -16.575 -6.797 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.842 -15.416 -8.269 1.00 0.00 H new ATOM 0 HE1 PHE A 93 2.169 -16.469 -4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.695 -15.313 -5.945 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.189 -15.836 -4.045 1.00 0.00 H new ATOM 1578 N ARG A 94 4.333 -15.438 -11.246 1.00 0.00 N ATOM 1579 CA ARG A 94 4.645 -14.967 -12.629 1.00 0.00 C ATOM 1580 C ARG A 94 4.278 -16.062 -13.633 1.00 0.00 C ATOM 1581 O ARG A 94 5.132 -16.756 -14.148 1.00 0.00 O ATOM 1582 CB ARG A 94 6.141 -14.660 -12.737 1.00 0.00 C ATOM 1583 CG ARG A 94 6.417 -13.913 -14.044 1.00 0.00 C ATOM 1584 CD ARG A 94 7.912 -13.972 -14.362 1.00 0.00 C ATOM 1585 NE ARG A 94 8.674 -13.258 -13.299 1.00 0.00 N ATOM 1586 CZ ARG A 94 9.904 -12.880 -13.522 1.00 0.00 C ATOM 1587 NH1 ARG A 94 10.463 -13.124 -14.676 1.00 0.00 N ATOM 1588 NH2 ARG A 94 10.573 -12.256 -12.592 1.00 0.00 N ATOM 0 H ARG A 94 4.951 -16.167 -10.889 1.00 0.00 H new ATOM 0 HA ARG A 94 4.071 -14.066 -12.845 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.462 -14.058 -11.887 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.716 -15.586 -12.707 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.844 -14.358 -14.857 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.094 -12.876 -13.957 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.241 -15.009 -14.426 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.107 -13.516 -15.333 1.00 0.00 H new ATOM 0 HE ARG A 94 8.236 -13.065 -12.399 1.00 0.00 H new ATOM 0 HH11 ARG A 94 9.939 -13.610 -15.404 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.424 -12.829 -14.850 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.135 -12.063 -11.691 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.534 -11.961 -12.766 1.00 0.00 H new ATOM 1602 N TYR A 95 3.014 -16.219 -13.919 1.00 0.00 N ATOM 1603 CA TYR A 95 2.596 -17.267 -14.892 1.00 0.00 C ATOM 1604 C TYR A 95 2.913 -18.652 -14.317 1.00 0.00 C ATOM 1605 O TYR A 95 4.058 -19.042 -14.213 1.00 0.00 O ATOM 1606 CB TYR A 95 3.354 -17.069 -16.210 1.00 0.00 C ATOM 1607 CG TYR A 95 2.525 -17.593 -17.360 1.00 0.00 C ATOM 1608 CD1 TYR A 95 1.399 -16.880 -17.791 1.00 0.00 C ATOM 1609 CD2 TYR A 95 2.880 -18.789 -17.996 1.00 0.00 C ATOM 1610 CE1 TYR A 95 0.631 -17.362 -18.857 1.00 0.00 C ATOM 1611 CE2 TYR A 95 2.112 -19.271 -19.063 1.00 0.00 C ATOM 1612 CZ TYR A 95 0.987 -18.558 -19.493 1.00 0.00 C ATOM 1613 OH TYR A 95 0.229 -19.033 -20.544 1.00 0.00 O ATOM 0 H TYR A 95 2.254 -15.667 -13.521 1.00 0.00 H new ATOM 0 HA TYR A 95 1.524 -17.189 -15.076 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.573 -16.012 -16.359 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.311 -17.590 -16.172 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.123 -15.958 -17.301 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.747 -19.340 -17.663 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -0.237 -16.811 -19.189 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.388 -20.193 -19.554 1.00 0.00 H new ATOM 0 HH TYR A 95 0.614 -19.872 -20.872 1.00 0.00 H new TER 1623 TYR A 95