USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 922 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 20 ASN : amide:sc= 1.49 K(o=0.059,f=-3.3) USER MOD Set 1.2: A 24 ASN :FLIP amide:sc= 0.459 F(o=-1.1,f=0.059) USER MOD Set 1.3: A 28 TYR OH : rot 38:sc= -1.89! USER MOD Set 1.4: A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -121:sc= -0.321 (180deg=-3.18!) USER MOD Single : A 12 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.028) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -2.87 K(o=-2.9,f=-3.4) USER MOD Single : A 35 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.3!) USER MOD Single : A 38 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.3) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.27) USER MOD Single : A 55 MET CE :methyl -110:sc= -10.7! (180deg=-16.8!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 152:sc= -3.92! (180deg=-4.79!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -113:sc= -4.65! (180deg=-6.06!) USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= 1.01 (180deg=0.322!) USER MOD Single : A 75 ASN : amide:sc= -0.236 K(o=-0.24,f=-2.3!) USER MOD Single : A 81 MET CE :methyl 177:sc= -11.6! (180deg=-11.8!) USER MOD Single : A 82 THR OG1 : rot -169:sc= 1.19 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -156:sc= -6.16! (180deg=-10!) USER MOD Single : A 91 GLN : amide:sc= -0.239 K(o=-0.24,f=-2.1!) USER MOD Single : A 93 SER OG : rot 88:sc= 0.228 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.189! USER MOD Single : A 101 HIS : no HD1:sc= -7.88! C(o=-7.9!,f=-7.4!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 -4.668 -8.814 12.179 1.00 0.00 N ATOM 50 CA GLU A 4 -4.397 -8.234 10.874 1.00 0.00 C ATOM 51 C GLU A 4 -2.987 -7.641 10.839 1.00 0.00 C ATOM 52 O GLU A 4 -2.371 -7.434 11.883 1.00 0.00 O ATOM 53 CB GLU A 4 -5.445 -7.179 10.515 1.00 0.00 C ATOM 54 CG GLU A 4 -6.077 -7.475 9.153 1.00 0.00 C ATOM 55 CD GLU A 4 -7.597 -7.310 9.208 1.00 0.00 C ATOM 56 OE1 GLU A 4 -8.053 -6.168 8.984 1.00 0.00 O ATOM 57 OE2 GLU A 4 -8.269 -8.331 9.471 1.00 0.00 O ATOM 0 HA GLU A 4 -4.455 -9.025 10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.219 -7.155 11.282 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.982 -6.192 10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.661 -6.804 8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.828 -8.491 8.846 1.00 0.00 H new ATOM 64 N LYS A 5 -2.517 -7.386 9.626 1.00 0.00 N ATOM 65 CA LYS A 5 -1.192 -6.821 9.441 1.00 0.00 C ATOM 66 C LYS A 5 -1.185 -5.948 8.185 1.00 0.00 C ATOM 67 O LYS A 5 -1.745 -6.328 7.158 1.00 0.00 O ATOM 68 CB LYS A 5 -0.135 -7.928 9.427 1.00 0.00 C ATOM 69 CG LYS A 5 -0.158 -8.725 10.733 1.00 0.00 C ATOM 70 CD LYS A 5 0.444 -7.913 11.881 1.00 0.00 C ATOM 71 CE LYS A 5 1.973 -7.912 11.809 1.00 0.00 C ATOM 72 NZ LYS A 5 2.555 -8.101 13.156 1.00 0.00 N ATOM 0 H LYS A 5 -3.031 -7.561 8.762 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.933 -6.175 10.280 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.315 -8.597 8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.853 -7.491 9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.184 -9.001 10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.400 -9.653 10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.074 -6.889 11.840 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.121 -8.331 12.835 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.312 -8.707 11.145 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.322 -6.971 11.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.161 -7.288 13.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.791 -8.176 13.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.124 -8.972 13.169 1.00 0.00 H new ATOM 86 N ILE A 6 -0.544 -4.795 8.308 1.00 0.00 N ATOM 87 CA ILE A 6 -0.457 -3.865 7.195 1.00 0.00 C ATOM 88 C ILE A 6 0.815 -3.026 7.335 1.00 0.00 C ATOM 89 O ILE A 6 1.337 -2.864 8.437 1.00 0.00 O ATOM 90 CB ILE A 6 -1.735 -3.030 7.092 1.00 0.00 C ATOM 91 CG1 ILE A 6 -2.563 -3.442 5.873 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.415 -1.534 7.089 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.020 -3.701 6.262 1.00 0.00 C ATOM 0 H ILE A 6 -0.080 -4.484 9.161 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.381 -4.407 6.252 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.343 -3.227 7.975 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.519 -2.658 5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.137 -4.340 5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.341 -0.964 7.015 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.899 -1.270 8.012 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.776 -1.300 6.237 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.587 -3.992 5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.063 -4.502 7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.450 -2.794 6.686 1.00 0.00 H new ATOM 105 N LEU A 7 1.277 -2.516 6.203 1.00 0.00 N ATOM 106 CA LEU A 7 2.478 -1.698 6.186 1.00 0.00 C ATOM 107 C LEU A 7 2.214 -0.430 5.372 1.00 0.00 C ATOM 108 O LEU A 7 1.472 -0.460 4.392 1.00 0.00 O ATOM 109 CB LEU A 7 3.673 -2.512 5.686 1.00 0.00 C ATOM 110 CG LEU A 7 4.916 -2.496 6.578 1.00 0.00 C ATOM 111 CD1 LEU A 7 4.933 -3.706 7.515 1.00 0.00 C ATOM 112 CD2 LEU A 7 6.192 -2.402 5.740 1.00 0.00 C ATOM 0 H LEU A 7 0.841 -2.653 5.291 1.00 0.00 H new ATOM 0 HA LEU A 7 2.738 -1.381 7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.355 -3.547 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.953 -2.141 4.700 1.00 0.00 H new ATOM 0 HG LEU A 7 4.876 -1.604 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.827 -3.671 8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.047 -3.687 8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.938 -4.623 6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.060 -2.392 6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.253 -3.261 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.174 -1.485 5.151 1.00 0.00 H new ATOM 124 N ILE A 8 2.837 0.655 5.808 1.00 0.00 N ATOM 125 CA ILE A 8 2.679 1.932 5.132 1.00 0.00 C ATOM 126 C ILE A 8 4.051 2.440 4.685 1.00 0.00 C ATOM 127 O ILE A 8 4.842 2.905 5.503 1.00 0.00 O ATOM 128 CB ILE A 8 1.918 2.918 6.021 1.00 0.00 C ATOM 129 CG1 ILE A 8 0.472 2.465 6.228 1.00 0.00 C ATOM 130 CG2 ILE A 8 1.999 4.338 5.458 1.00 0.00 C ATOM 131 CD1 ILE A 8 -0.134 3.118 7.472 1.00 0.00 C ATOM 0 H ILE A 8 3.452 0.676 6.621 1.00 0.00 H new ATOM 0 HA ILE A 8 2.073 1.815 4.233 1.00 0.00 H new ATOM 0 HB ILE A 8 2.394 2.933 7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.123 2.722 5.351 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.438 1.380 6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.450 5.019 6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.042 4.649 5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.562 4.359 4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.163 2.779 7.596 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.449 2.839 8.350 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.120 4.202 7.357 1.00 0.00 H new ATOM 143 N VAL A 9 4.291 2.333 3.386 1.00 0.00 N ATOM 144 CA VAL A 9 5.554 2.777 2.819 1.00 0.00 C ATOM 145 C VAL A 9 5.383 4.183 2.243 1.00 0.00 C ATOM 146 O VAL A 9 4.458 4.434 1.472 1.00 0.00 O ATOM 147 CB VAL A 9 6.048 1.763 1.786 1.00 0.00 C ATOM 148 CG1 VAL A 9 7.421 2.160 1.241 1.00 0.00 C ATOM 149 CG2 VAL A 9 6.080 0.351 2.375 1.00 0.00 C ATOM 0 H VAL A 9 3.633 1.946 2.710 1.00 0.00 H new ATOM 0 HA VAL A 9 6.321 2.834 3.591 1.00 0.00 H new ATOM 0 HB VAL A 9 5.344 1.763 0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.749 1.422 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.355 3.139 0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.139 2.202 2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.435 -0.350 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.751 0.330 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.077 0.066 2.692 1.00 0.00 H new ATOM 159 N ASP A 10 6.291 5.064 2.638 1.00 0.00 N ATOM 160 CA ASP A 10 6.252 6.439 2.170 1.00 0.00 C ATOM 161 C ASP A 10 4.816 6.960 2.248 1.00 0.00 C ATOM 162 O ASP A 10 3.939 6.294 2.797 1.00 0.00 O ATOM 163 CB ASP A 10 6.713 6.539 0.714 1.00 0.00 C ATOM 164 CG ASP A 10 7.870 5.612 0.338 1.00 0.00 C ATOM 165 OD1 ASP A 10 8.892 5.658 1.056 1.00 0.00 O ATOM 166 OD2 ASP A 10 7.707 4.877 -0.660 1.00 0.00 O ATOM 0 H ASP A 10 7.058 4.852 3.277 1.00 0.00 H new ATOM 0 HA ASP A 10 6.918 7.028 2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.866 6.320 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.011 7.568 0.513 1.00 0.00 H new ATOM 171 N ASP A 11 4.619 8.146 1.690 1.00 0.00 N ATOM 172 CA ASP A 11 3.304 8.763 1.690 1.00 0.00 C ATOM 173 C ASP A 11 2.874 9.039 3.132 1.00 0.00 C ATOM 174 O ASP A 11 1.718 9.375 3.385 1.00 0.00 O ATOM 175 CB ASP A 11 2.262 7.841 1.054 1.00 0.00 C ATOM 176 CG ASP A 11 1.016 8.546 0.516 1.00 0.00 C ATOM 177 OD1 ASP A 11 1.161 9.257 -0.503 1.00 0.00 O ATOM 178 OD2 ASP A 11 -0.054 8.359 1.134 1.00 0.00 O ATOM 0 H ASP A 11 5.348 8.695 1.235 1.00 0.00 H new ATOM 0 HA ASP A 11 3.366 9.687 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.733 7.295 0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.952 7.103 1.794 1.00 0.00 H new ATOM 183 N GLN A 12 3.827 8.886 4.039 1.00 0.00 N ATOM 184 CA GLN A 12 3.562 9.114 5.449 1.00 0.00 C ATOM 185 C GLN A 12 3.723 10.598 5.787 1.00 0.00 C ATOM 186 O GLN A 12 4.842 11.107 5.842 1.00 0.00 O ATOM 187 CB GLN A 12 4.471 8.250 6.325 1.00 0.00 C ATOM 188 CG GLN A 12 5.903 8.242 5.788 1.00 0.00 C ATOM 189 CD GLN A 12 6.918 8.166 6.931 1.00 0.00 C ATOM 190 OE1 GLN A 12 7.723 7.255 7.021 1.00 0.00 O ATOM 191 NE2 GLN A 12 6.833 9.173 7.797 1.00 0.00 N ATOM 0 H GLN A 12 4.784 8.607 3.825 1.00 0.00 H new ATOM 0 HA GLN A 12 2.532 8.824 5.656 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.464 8.629 7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.086 7.231 6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.039 7.392 5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.079 9.142 5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.135 9.904 7.662 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.466 9.214 8.596 1.00 0.00 H new ATOM 200 N TYR A 13 2.590 11.250 6.004 1.00 0.00 N ATOM 201 CA TYR A 13 2.593 12.664 6.335 1.00 0.00 C ATOM 202 C TYR A 13 1.404 13.020 7.230 1.00 0.00 C ATOM 203 O TYR A 13 0.926 14.153 7.212 1.00 0.00 O ATOM 204 CB TYR A 13 2.454 13.408 5.005 1.00 0.00 C ATOM 205 CG TYR A 13 3.509 14.496 4.788 1.00 0.00 C ATOM 206 CD1 TYR A 13 3.613 15.544 5.679 1.00 0.00 C ATOM 207 CD2 TYR A 13 4.356 14.428 3.700 1.00 0.00 C ATOM 208 CE1 TYR A 13 4.605 16.567 5.475 1.00 0.00 C ATOM 209 CE2 TYR A 13 5.348 15.451 3.496 1.00 0.00 C ATOM 210 CZ TYR A 13 5.424 16.471 4.393 1.00 0.00 C ATOM 211 OH TYR A 13 6.361 17.437 4.200 1.00 0.00 O ATOM 0 H TYR A 13 1.664 10.825 5.957 1.00 0.00 H new ATOM 0 HA TYR A 13 3.504 12.931 6.871 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.516 12.688 4.189 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.464 13.861 4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.950 15.597 6.530 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.274 13.608 3.002 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.697 17.392 6.166 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.017 15.410 2.649 1.00 0.00 H new ATOM 0 HH TYR A 13 6.874 17.238 3.389 1.00 0.00 H new ATOM 221 N GLY A 14 0.961 12.031 7.992 1.00 0.00 N ATOM 222 CA GLY A 14 -0.162 12.225 8.893 1.00 0.00 C ATOM 223 C GLY A 14 -1.422 11.545 8.353 1.00 0.00 C ATOM 224 O GLY A 14 -2.447 11.501 9.031 1.00 0.00 O ATOM 0 H GLY A 14 1.360 11.092 8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.081 11.820 9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.348 13.291 9.024 1.00 0.00 H new ATOM 228 N ILE A 15 -1.304 11.032 7.137 1.00 0.00 N ATOM 229 CA ILE A 15 -2.420 10.356 6.498 1.00 0.00 C ATOM 230 C ILE A 15 -2.380 8.868 6.851 1.00 0.00 C ATOM 231 O ILE A 15 -3.422 8.242 7.036 1.00 0.00 O ATOM 232 CB ILE A 15 -2.422 10.631 4.993 1.00 0.00 C ATOM 233 CG1 ILE A 15 -2.876 12.062 4.697 1.00 0.00 C ATOM 234 CG2 ILE A 15 -3.268 9.596 4.248 1.00 0.00 C ATOM 235 CD1 ILE A 15 -1.686 12.948 4.324 1.00 0.00 C ATOM 0 H ILE A 15 -0.452 11.071 6.577 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.366 10.747 6.872 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.400 10.536 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.600 12.057 3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.382 12.475 5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.253 9.814 3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.860 8.600 4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.295 9.635 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.036 13.960 4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.976 12.971 5.151 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.197 12.546 3.437 1.00 0.00 H new ATOM 247 N ARG A 16 -1.166 8.345 6.935 1.00 0.00 N ATOM 248 CA ARG A 16 -0.976 6.942 7.263 1.00 0.00 C ATOM 249 C ARG A 16 -1.715 6.595 8.557 1.00 0.00 C ATOM 250 O ARG A 16 -2.293 5.516 8.676 1.00 0.00 O ATOM 251 CB ARG A 16 0.509 6.610 7.426 1.00 0.00 C ATOM 252 CG ARG A 16 1.220 7.676 8.263 1.00 0.00 C ATOM 253 CD ARG A 16 2.581 7.174 8.749 1.00 0.00 C ATOM 254 NE ARG A 16 2.438 6.526 10.072 1.00 0.00 N ATOM 255 CZ ARG A 16 3.437 6.391 10.954 1.00 0.00 C ATOM 256 NH1 ARG A 16 4.658 6.857 10.660 1.00 0.00 N ATOM 257 NH2 ARG A 16 3.216 5.789 12.131 1.00 0.00 N ATOM 0 H ARG A 16 -0.304 8.868 6.782 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.380 6.351 6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.617 5.636 7.903 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.979 6.539 6.445 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.353 8.581 7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.601 7.944 9.119 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.994 6.466 8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.282 8.006 8.816 1.00 0.00 H new ATOM 0 HE ARG A 16 1.521 6.159 10.328 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.827 7.315 9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.419 6.754 11.332 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.287 5.433 12.355 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.977 5.686 12.802 1.00 0.00 H new ATOM 271 N ILE A 17 -1.671 7.530 9.494 1.00 0.00 N ATOM 272 CA ILE A 17 -2.329 7.337 10.775 1.00 0.00 C ATOM 273 C ILE A 17 -3.843 7.271 10.562 1.00 0.00 C ATOM 274 O ILE A 17 -4.506 6.365 11.064 1.00 0.00 O ATOM 275 CB ILE A 17 -1.895 8.416 11.769 1.00 0.00 C ATOM 276 CG1 ILE A 17 -0.381 8.383 11.987 1.00 0.00 C ATOM 277 CG2 ILE A 17 -2.666 8.292 13.085 1.00 0.00 C ATOM 278 CD1 ILE A 17 0.144 9.761 12.397 1.00 0.00 C ATOM 0 H ILE A 17 -1.190 8.424 9.392 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.027 6.388 11.218 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.139 9.390 11.344 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.137 7.653 12.758 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.115 8.058 11.072 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.338 9.071 13.774 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.733 8.403 12.893 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.477 7.314 13.527 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.223 9.710 12.546 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.080 10.484 11.613 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.336 10.072 13.325 1.00 0.00 H new ATOM 290 N LEU A 18 -4.346 8.244 9.815 1.00 0.00 N ATOM 291 CA LEU A 18 -5.769 8.308 9.528 1.00 0.00 C ATOM 292 C LEU A 18 -6.281 6.905 9.196 1.00 0.00 C ATOM 293 O LEU A 18 -7.198 6.405 9.847 1.00 0.00 O ATOM 294 CB LEU A 18 -6.049 9.340 8.434 1.00 0.00 C ATOM 295 CG LEU A 18 -7.472 9.900 8.390 1.00 0.00 C ATOM 296 CD1 LEU A 18 -7.483 11.327 7.837 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.402 8.974 7.603 1.00 0.00 C ATOM 0 H LEU A 18 -3.793 8.994 9.400 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.320 8.650 10.404 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.356 10.172 8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.828 8.886 7.468 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.852 9.947 9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.506 11.701 7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.875 11.969 8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.076 11.329 6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.407 9.396 7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.035 8.872 6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.427 7.994 8.079 1.00 0.00 H new ATOM 309 N LEU A 19 -5.668 6.310 8.184 1.00 0.00 N ATOM 310 CA LEU A 19 -6.051 4.974 7.757 1.00 0.00 C ATOM 311 C LEU A 19 -5.595 3.958 8.806 1.00 0.00 C ATOM 312 O LEU A 19 -6.141 2.859 8.889 1.00 0.00 O ATOM 313 CB LEU A 19 -5.519 4.688 6.352 1.00 0.00 C ATOM 314 CG LEU A 19 -3.996 4.649 6.206 1.00 0.00 C ATOM 315 CD1 LEU A 19 -3.440 3.284 6.618 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.571 5.036 4.788 1.00 0.00 C ATOM 0 H LEU A 19 -4.908 6.728 7.647 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.136 4.893 7.685 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.920 3.730 6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.910 5.448 5.675 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.569 5.389 6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.356 3.283 6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.696 3.086 7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.871 2.509 5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.484 5.000 4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.008 4.338 4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.917 6.046 4.567 1.00 0.00 H new ATOM 328 N ASN A 20 -4.599 4.362 9.582 1.00 0.00 N ATOM 329 CA ASN A 20 -4.064 3.501 10.622 1.00 0.00 C ATOM 330 C ASN A 20 -5.138 3.266 11.687 1.00 0.00 C ATOM 331 O ASN A 20 -5.569 2.134 11.900 1.00 0.00 O ATOM 332 CB ASN A 20 -2.855 4.145 11.303 1.00 0.00 C ATOM 333 CG ASN A 20 -2.127 3.138 12.195 1.00 0.00 C ATOM 334 OD1 ASN A 20 -2.451 1.963 12.242 1.00 0.00 O ATOM 335 ND2 ASN A 20 -1.128 3.663 12.899 1.00 0.00 N ATOM 0 H ASN A 20 -4.149 5.275 9.511 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.759 2.563 10.159 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.170 4.529 10.548 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.181 4.997 11.900 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.580 3.073 13.525 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.910 4.656 12.812 1.00 0.00 H new ATOM 342 N GLU A 21 -5.538 4.355 12.327 1.00 0.00 N ATOM 343 CA GLU A 21 -6.553 4.283 13.364 1.00 0.00 C ATOM 344 C GLU A 21 -7.738 3.438 12.889 1.00 0.00 C ATOM 345 O GLU A 21 -8.389 2.770 13.691 1.00 0.00 O ATOM 346 CB GLU A 21 -7.010 5.681 13.783 1.00 0.00 C ATOM 347 CG GLU A 21 -8.245 5.608 14.684 1.00 0.00 C ATOM 348 CD GLU A 21 -8.618 6.993 15.215 1.00 0.00 C ATOM 349 OE1 GLU A 21 -8.537 7.950 14.415 1.00 0.00 O ATOM 350 OE2 GLU A 21 -8.977 7.065 16.411 1.00 0.00 O ATOM 0 H GLU A 21 -5.177 5.292 12.147 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.116 3.802 14.239 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.202 6.189 14.309 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.237 6.274 12.897 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.083 5.191 14.126 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.051 4.934 15.519 1.00 0.00 H new ATOM 357 N VAL A 22 -7.981 3.496 11.588 1.00 0.00 N ATOM 358 CA VAL A 22 -9.076 2.745 10.997 1.00 0.00 C ATOM 359 C VAL A 22 -8.811 1.248 11.167 1.00 0.00 C ATOM 360 O VAL A 22 -9.658 0.519 11.681 1.00 0.00 O ATOM 361 CB VAL A 22 -9.264 3.157 9.536 1.00 0.00 C ATOM 362 CG1 VAL A 22 -10.048 2.095 8.763 1.00 0.00 C ATOM 363 CG2 VAL A 22 -9.946 4.523 9.435 1.00 0.00 C ATOM 0 H VAL A 22 -7.439 4.051 10.926 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.013 2.969 11.507 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.276 3.241 9.082 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.167 2.413 7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.506 1.150 8.792 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.030 1.965 9.218 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.068 4.792 8.386 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.924 4.478 9.914 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.333 5.274 9.933 1.00 0.00 H new ATOM 373 N PHE A 23 -7.633 0.834 10.724 1.00 0.00 N ATOM 374 CA PHE A 23 -7.246 -0.564 10.821 1.00 0.00 C ATOM 375 C PHE A 23 -6.702 -0.887 12.213 1.00 0.00 C ATOM 376 O PHE A 23 -6.615 -2.054 12.594 1.00 0.00 O ATOM 377 CB PHE A 23 -6.141 -0.794 9.788 1.00 0.00 C ATOM 378 CG PHE A 23 -6.637 -0.816 8.340 1.00 0.00 C ATOM 379 CD1 PHE A 23 -7.597 -1.703 7.963 1.00 0.00 C ATOM 380 CD2 PHE A 23 -6.118 0.052 7.431 1.00 0.00 C ATOM 381 CE1 PHE A 23 -8.057 -1.723 6.620 1.00 0.00 C ATOM 382 CE2 PHE A 23 -6.578 0.032 6.088 1.00 0.00 C ATOM 383 CZ PHE A 23 -7.537 -0.855 5.711 1.00 0.00 C ATOM 0 H PHE A 23 -6.934 1.442 10.297 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.111 -1.203 10.642 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.391 -0.010 9.892 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.645 -1.740 10.006 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -8.009 -2.392 8.685 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.356 0.756 7.731 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.819 -2.427 6.320 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.166 0.721 5.366 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.886 -0.870 4.689 1.00 0.00 H new ATOM 393 N ASN A 24 -6.350 0.166 12.936 1.00 0.00 N ATOM 394 CA ASN A 24 -5.816 0.009 14.278 1.00 0.00 C ATOM 395 C ASN A 24 -6.934 -0.452 15.215 1.00 0.00 C ATOM 396 O ASN A 24 -6.673 -1.101 16.227 1.00 0.00 O ATOM 397 CB ASN A 24 -5.268 1.334 14.812 1.00 0.00 C ATOM 398 CG ASN A 24 -3.992 1.111 15.625 1.00 0.00 C ATOM 399 OD1 ASN A 24 -4.203 0.944 16.928 1.00 0.00 O flip ATOM 400 ND2 ASN A 24 -2.889 1.092 15.105 1.00 0.00 N flip ATOM 0 H ASN A 24 -6.424 1.132 12.617 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.010 -0.724 14.237 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.061 2.008 13.980 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.020 1.818 15.435 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.797 1.227 14.098 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.058 0.941 15.677 1.00 0.00 H new ATOM 407 N LYS A 25 -8.156 -0.098 14.846 1.00 0.00 N ATOM 408 CA LYS A 25 -9.315 -0.468 15.642 1.00 0.00 C ATOM 409 C LYS A 25 -9.290 -1.975 15.902 1.00 0.00 C ATOM 410 O LYS A 25 -9.941 -2.460 16.826 1.00 0.00 O ATOM 411 CB LYS A 25 -10.602 0.019 14.972 1.00 0.00 C ATOM 412 CG LYS A 25 -10.928 1.454 15.391 1.00 0.00 C ATOM 413 CD LYS A 25 -12.022 2.049 14.502 1.00 0.00 C ATOM 414 CE LYS A 25 -12.801 3.137 15.245 1.00 0.00 C ATOM 415 NZ LYS A 25 -12.553 4.461 14.633 1.00 0.00 N ATOM 0 H LYS A 25 -8.369 0.441 14.007 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.282 0.024 16.614 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.494 -0.032 13.889 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.428 -0.639 15.241 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.252 1.468 16.432 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.030 2.068 15.329 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.575 2.468 13.600 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.705 1.261 14.183 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.867 2.912 15.219 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.504 3.153 16.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.089 5.188 15.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.538 4.681 14.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.858 4.447 13.639 1.00 0.00 H new ATOM 429 N GLU A 26 -8.531 -2.675 15.070 1.00 0.00 N ATOM 430 CA GLU A 26 -8.413 -4.117 15.199 1.00 0.00 C ATOM 431 C GLU A 26 -7.219 -4.474 16.086 1.00 0.00 C ATOM 432 O GLU A 26 -7.165 -5.566 16.651 1.00 0.00 O ATOM 433 CB GLU A 26 -8.295 -4.782 13.826 1.00 0.00 C ATOM 434 CG GLU A 26 -9.602 -4.655 13.041 1.00 0.00 C ATOM 435 CD GLU A 26 -10.319 -6.003 12.949 1.00 0.00 C ATOM 436 OE1 GLU A 26 -10.658 -6.540 14.026 1.00 0.00 O ATOM 437 OE2 GLU A 26 -10.513 -6.466 11.804 1.00 0.00 O ATOM 0 H GLU A 26 -7.992 -2.270 14.305 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.319 -4.496 15.673 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.483 -4.322 13.264 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.041 -5.835 13.949 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.252 -3.926 13.525 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.394 -4.281 12.039 1.00 0.00 H new ATOM 444 N GLY A 27 -6.290 -3.534 16.181 1.00 0.00 N ATOM 445 CA GLY A 27 -5.100 -3.736 16.989 1.00 0.00 C ATOM 446 C GLY A 27 -3.978 -4.370 16.165 1.00 0.00 C ATOM 447 O GLY A 27 -3.000 -4.869 16.720 1.00 0.00 O ATOM 0 H GLY A 27 -6.338 -2.630 15.711 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.764 -2.781 17.393 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.338 -4.376 17.839 1.00 0.00 H new ATOM 451 N TYR A 28 -4.156 -4.329 14.852 1.00 0.00 N ATOM 452 CA TYR A 28 -3.170 -4.893 13.946 1.00 0.00 C ATOM 453 C TYR A 28 -1.858 -4.108 14.005 1.00 0.00 C ATOM 454 O TYR A 28 -1.864 -2.899 14.230 1.00 0.00 O ATOM 455 CB TYR A 28 -3.765 -4.763 12.542 1.00 0.00 C ATOM 456 CG TYR A 28 -3.655 -3.358 11.946 1.00 0.00 C ATOM 457 CD1 TYR A 28 -3.781 -2.251 12.761 1.00 0.00 C ATOM 458 CD2 TYR A 28 -3.428 -3.198 10.595 1.00 0.00 C ATOM 459 CE1 TYR A 28 -3.676 -0.929 12.200 1.00 0.00 C ATOM 460 CE2 TYR A 28 -3.324 -1.876 10.034 1.00 0.00 C ATOM 461 CZ TYR A 28 -3.453 -0.807 10.865 1.00 0.00 C ATOM 462 OH TYR A 28 -3.354 0.442 10.335 1.00 0.00 O ATOM 0 H TYR A 28 -4.968 -3.914 14.395 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.950 -5.927 14.214 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.263 -5.468 11.879 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.816 -5.051 12.576 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.958 -2.376 13.819 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.328 -4.064 9.958 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.772 -0.054 12.826 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.148 -1.736 8.978 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.877 1.026 10.961 1.00 0.00 H new ATOM 472 N GLN A 29 -0.765 -4.828 13.797 1.00 0.00 N ATOM 473 CA GLN A 29 0.551 -4.213 13.824 1.00 0.00 C ATOM 474 C GLN A 29 0.865 -3.571 12.471 1.00 0.00 C ATOM 475 O GLN A 29 0.677 -4.193 11.427 1.00 0.00 O ATOM 476 CB GLN A 29 1.625 -5.234 14.209 1.00 0.00 C ATOM 477 CG GLN A 29 2.296 -4.852 15.530 1.00 0.00 C ATOM 478 CD GLN A 29 2.731 -6.098 16.304 1.00 0.00 C ATOM 479 OE1 GLN A 29 3.895 -6.464 16.338 1.00 0.00 O ATOM 480 NE2 GLN A 29 1.735 -6.726 16.922 1.00 0.00 N ATOM 0 H GLN A 29 -0.764 -5.831 13.609 1.00 0.00 H new ATOM 0 HA GLN A 29 0.550 -3.431 14.583 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.176 -6.223 14.298 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.375 -5.294 13.420 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.163 -4.221 15.333 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.606 -4.265 16.136 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.783 -6.365 16.852 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.923 -7.568 17.466 1.00 0.00 H new ATOM 489 N THR A 30 1.339 -2.335 12.535 1.00 0.00 N ATOM 490 CA THR A 30 1.680 -1.602 11.327 1.00 0.00 C ATOM 491 C THR A 30 3.127 -1.110 11.394 1.00 0.00 C ATOM 492 O THR A 30 3.684 -0.955 12.480 1.00 0.00 O ATOM 493 CB THR A 30 0.661 -0.474 11.155 1.00 0.00 C ATOM 494 OG1 THR A 30 0.685 0.209 12.405 1.00 0.00 O ATOM 495 CG2 THR A 30 -0.773 -0.993 11.041 1.00 0.00 C ATOM 0 H THR A 30 1.495 -1.823 13.403 1.00 0.00 H new ATOM 0 HA THR A 30 1.628 -2.243 10.447 1.00 0.00 H new ATOM 0 HB THR A 30 0.908 0.106 10.266 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.053 0.958 12.381 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.456 -0.152 10.921 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.854 -1.652 10.177 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.033 -1.545 11.944 1.00 0.00 H new ATOM 503 N PHE A 31 3.694 -0.877 10.220 1.00 0.00 N ATOM 504 CA PHE A 31 5.066 -0.405 10.131 1.00 0.00 C ATOM 505 C PHE A 31 5.240 0.554 8.952 1.00 0.00 C ATOM 506 O PHE A 31 4.564 0.420 7.933 1.00 0.00 O ATOM 507 CB PHE A 31 5.948 -1.634 9.909 1.00 0.00 C ATOM 508 CG PHE A 31 7.229 -1.640 10.746 1.00 0.00 C ATOM 509 CD1 PHE A 31 8.183 -0.693 10.536 1.00 0.00 C ATOM 510 CD2 PHE A 31 7.415 -2.592 11.699 1.00 0.00 C ATOM 511 CE1 PHE A 31 9.372 -0.698 11.313 1.00 0.00 C ATOM 512 CE2 PHE A 31 8.604 -2.597 12.476 1.00 0.00 C ATOM 513 CZ PHE A 31 9.557 -1.650 12.266 1.00 0.00 C ATOM 0 H PHE A 31 3.228 -1.006 9.322 1.00 0.00 H new ATOM 0 HA PHE A 31 5.336 0.130 11.042 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.371 -2.529 10.140 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.215 -1.691 8.854 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.036 0.063 9.778 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.658 -3.345 11.865 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.129 0.054 11.147 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.751 -3.353 13.233 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.461 -1.654 12.856 1.00 0.00 H new ATOM 523 N GLN A 32 6.151 1.499 9.129 1.00 0.00 N ATOM 524 CA GLN A 32 6.424 2.480 8.092 1.00 0.00 C ATOM 525 C GLN A 32 7.822 2.263 7.510 1.00 0.00 C ATOM 526 O GLN A 32 8.705 1.738 8.186 1.00 0.00 O ATOM 527 CB GLN A 32 6.268 3.904 8.629 1.00 0.00 C ATOM 528 CG GLN A 32 4.817 4.186 9.022 1.00 0.00 C ATOM 529 CD GLN A 32 4.507 3.629 10.413 1.00 0.00 C ATOM 530 OE1 GLN A 32 5.248 3.816 11.364 1.00 0.00 O ATOM 531 NE2 GLN A 32 3.374 2.935 10.478 1.00 0.00 N ATOM 0 H GLN A 32 6.710 1.607 9.975 1.00 0.00 H new ATOM 0 HA GLN A 32 5.695 2.347 7.293 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.916 4.043 9.494 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.589 4.619 7.872 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.635 5.261 9.008 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.145 3.739 8.289 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.800 2.816 9.643 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.079 2.521 11.363 1.00 0.00 H new ATOM 540 N ALA A 33 7.980 2.678 6.262 1.00 0.00 N ATOM 541 CA ALA A 33 9.256 2.535 5.581 1.00 0.00 C ATOM 542 C ALA A 33 9.539 3.800 4.767 1.00 0.00 C ATOM 543 O ALA A 33 8.656 4.638 4.589 1.00 0.00 O ATOM 544 CB ALA A 33 9.234 1.276 4.713 1.00 0.00 C ATOM 0 H ALA A 33 7.245 3.114 5.704 1.00 0.00 H new ATOM 0 HA ALA A 33 10.065 2.419 6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.191 1.169 4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.059 0.403 5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.436 1.357 3.975 1.00 0.00 H new ATOM 550 N ALA A 34 10.773 3.897 4.295 1.00 0.00 N ATOM 551 CA ALA A 34 11.183 5.045 3.504 1.00 0.00 C ATOM 552 C ALA A 34 11.806 4.559 2.194 1.00 0.00 C ATOM 553 O ALA A 34 12.855 5.053 1.781 1.00 0.00 O ATOM 554 CB ALA A 34 12.144 5.911 4.321 1.00 0.00 C ATOM 0 H ALA A 34 11.502 3.200 4.445 1.00 0.00 H new ATOM 0 HA ALA A 34 10.322 5.664 3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.452 6.772 3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.644 6.254 5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.022 5.324 4.591 1.00 0.00 H new ATOM 560 N ASN A 35 11.135 3.599 1.576 1.00 0.00 N ATOM 561 CA ASN A 35 11.609 3.041 0.321 1.00 0.00 C ATOM 562 C ASN A 35 10.923 1.697 0.073 1.00 0.00 C ATOM 563 O ASN A 35 10.044 1.294 0.835 1.00 0.00 O ATOM 564 CB ASN A 35 13.120 2.800 0.362 1.00 0.00 C ATOM 565 CG ASN A 35 13.864 3.841 -0.476 1.00 0.00 C ATOM 566 OD1 ASN A 35 13.305 4.494 -1.342 1.00 0.00 O ATOM 567 ND2 ASN A 35 15.153 3.960 -0.171 1.00 0.00 N ATOM 0 H ASN A 35 10.266 3.193 1.921 1.00 0.00 H new ATOM 0 HA ASN A 35 11.378 3.752 -0.472 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.470 2.840 1.393 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.343 1.801 -0.012 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.736 4.629 -0.674 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.558 3.382 0.565 1.00 0.00 H new ATOM 574 N GLY A 36 11.349 1.039 -0.995 1.00 0.00 N ATOM 575 CA GLY A 36 10.786 -0.252 -1.353 1.00 0.00 C ATOM 576 C GLY A 36 11.545 -1.390 -0.667 1.00 0.00 C ATOM 577 O GLY A 36 10.934 -2.288 -0.088 1.00 0.00 O ATOM 0 H GLY A 36 12.078 1.376 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.735 -0.286 -1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.826 -0.383 -2.434 1.00 0.00 H new ATOM 581 N LEU A 37 12.865 -1.316 -0.754 1.00 0.00 N ATOM 582 CA LEU A 37 13.713 -2.329 -0.149 1.00 0.00 C ATOM 583 C LEU A 37 13.374 -2.450 1.338 1.00 0.00 C ATOM 584 O LEU A 37 13.033 -3.532 1.814 1.00 0.00 O ATOM 585 CB LEU A 37 15.187 -2.025 -0.421 1.00 0.00 C ATOM 586 CG LEU A 37 16.008 -3.168 -1.022 1.00 0.00 C ATOM 587 CD1 LEU A 37 17.317 -2.649 -1.618 1.00 0.00 C ATOM 588 CD2 LEU A 37 16.247 -4.273 0.010 1.00 0.00 C ATOM 0 H LEU A 37 13.368 -0.570 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 37 13.524 -3.303 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.243 -1.170 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.654 -1.722 0.516 1.00 0.00 H new ATOM 0 HG LEU A 37 15.435 -3.607 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.881 -3.482 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.098 -1.926 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.907 -2.169 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 37 16.833 -5.073 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.789 -3.864 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.289 -4.670 0.346 1.00 0.00 H new ATOM 600 N GLN A 38 13.479 -1.325 2.029 1.00 0.00 N ATOM 601 CA GLN A 38 13.187 -1.291 3.453 1.00 0.00 C ATOM 602 C GLN A 38 11.802 -1.881 3.725 1.00 0.00 C ATOM 603 O GLN A 38 11.546 -2.397 4.812 1.00 0.00 O ATOM 604 CB GLN A 38 13.294 0.133 4.000 1.00 0.00 C ATOM 605 CG GLN A 38 14.723 0.442 4.452 1.00 0.00 C ATOM 606 CD GLN A 38 15.012 1.942 4.369 1.00 0.00 C ATOM 607 OE1 GLN A 38 14.946 2.556 3.316 1.00 0.00 O ATOM 608 NE2 GLN A 38 15.337 2.496 5.533 1.00 0.00 N ATOM 0 H GLN A 38 13.762 -0.430 1.630 1.00 0.00 H new ATOM 0 HA GLN A 38 13.928 -1.900 3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.990 0.845 3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.609 0.256 4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.867 0.096 5.476 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.431 -0.104 3.829 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.374 1.925 6.377 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.550 3.492 5.582 1.00 0.00 H new ATOM 617 N ALA A 39 10.945 -1.786 2.719 1.00 0.00 N ATOM 618 CA ALA A 39 9.593 -2.304 2.836 1.00 0.00 C ATOM 619 C ALA A 39 9.591 -3.795 2.493 1.00 0.00 C ATOM 620 O ALA A 39 8.735 -4.543 2.963 1.00 0.00 O ATOM 621 CB ALA A 39 8.657 -1.496 1.935 1.00 0.00 C ATOM 0 H ALA A 39 11.161 -1.358 1.819 1.00 0.00 H new ATOM 0 HA ALA A 39 9.230 -2.201 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.642 -1.885 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.672 -0.450 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.988 -1.577 0.900 1.00 0.00 H new ATOM 627 N LEU A 40 10.559 -4.182 1.675 1.00 0.00 N ATOM 628 CA LEU A 40 10.679 -5.570 1.263 1.00 0.00 C ATOM 629 C LEU A 40 10.990 -6.436 2.486 1.00 0.00 C ATOM 630 O LEU A 40 10.424 -7.516 2.646 1.00 0.00 O ATOM 631 CB LEU A 40 11.704 -5.707 0.136 1.00 0.00 C ATOM 632 CG LEU A 40 11.195 -5.405 -1.275 1.00 0.00 C ATOM 633 CD1 LEU A 40 12.290 -5.642 -2.316 1.00 0.00 C ATOM 634 CD2 LEU A 40 9.927 -6.204 -1.584 1.00 0.00 C ATOM 0 H LEU A 40 11.267 -3.559 1.287 1.00 0.00 H new ATOM 0 HA LEU A 40 9.736 -5.928 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.540 -5.041 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.095 -6.724 0.150 1.00 0.00 H new ATOM 0 HG LEU A 40 10.929 -4.349 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.901 -5.420 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.139 -4.992 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.611 -6.683 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.587 -5.970 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.142 -7.270 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.148 -5.941 -0.868 1.00 0.00 H new ATOM 646 N ASP A 41 11.889 -5.929 3.316 1.00 0.00 N ATOM 647 CA ASP A 41 12.282 -6.642 4.520 1.00 0.00 C ATOM 648 C ASP A 41 11.152 -6.560 5.548 1.00 0.00 C ATOM 649 O ASP A 41 10.712 -7.580 6.075 1.00 0.00 O ATOM 650 CB ASP A 41 13.535 -6.023 5.143 1.00 0.00 C ATOM 651 CG ASP A 41 14.265 -6.915 6.148 1.00 0.00 C ATOM 652 OD1 ASP A 41 14.899 -7.889 5.687 1.00 0.00 O ATOM 653 OD2 ASP A 41 14.174 -6.603 7.355 1.00 0.00 O ATOM 0 H ASP A 41 12.357 -5.033 3.179 1.00 0.00 H new ATOM 0 HA ASP A 41 12.489 -7.677 4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.228 -5.759 4.344 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.254 -5.095 5.641 1.00 0.00 H new ATOM 658 N ILE A 42 10.715 -5.335 5.803 1.00 0.00 N ATOM 659 CA ILE A 42 9.646 -5.106 6.760 1.00 0.00 C ATOM 660 C ILE A 42 8.378 -5.816 6.279 1.00 0.00 C ATOM 661 O ILE A 42 7.470 -6.073 7.068 1.00 0.00 O ATOM 662 CB ILE A 42 9.457 -3.608 7.004 1.00 0.00 C ATOM 663 CG1 ILE A 42 10.708 -2.993 7.633 1.00 0.00 C ATOM 664 CG2 ILE A 42 8.204 -3.342 7.841 1.00 0.00 C ATOM 665 CD1 ILE A 42 10.380 -2.334 8.974 1.00 0.00 C ATOM 0 H ILE A 42 11.082 -4.491 5.363 1.00 0.00 H new ATOM 0 HA ILE A 42 9.904 -5.533 7.729 1.00 0.00 H new ATOM 0 HB ILE A 42 9.309 -3.121 6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.463 -3.765 7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 42 11.134 -2.254 6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.093 -2.269 8.000 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.328 -3.723 7.316 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.297 -3.844 8.804 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.287 -1.905 9.400 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.642 -1.546 8.821 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.977 -3.081 9.658 1.00 0.00 H new ATOM 677 N VAL A 43 8.357 -6.111 4.988 1.00 0.00 N ATOM 678 CA VAL A 43 7.216 -6.786 4.393 1.00 0.00 C ATOM 679 C VAL A 43 7.072 -8.178 5.012 1.00 0.00 C ATOM 680 O VAL A 43 6.033 -8.503 5.585 1.00 0.00 O ATOM 681 CB VAL A 43 7.363 -6.820 2.871 1.00 0.00 C ATOM 682 CG1 VAL A 43 6.951 -8.183 2.311 1.00 0.00 C ATOM 683 CG2 VAL A 43 6.561 -5.694 2.216 1.00 0.00 C ATOM 0 H VAL A 43 9.112 -5.895 4.337 1.00 0.00 H new ATOM 0 HA VAL A 43 6.297 -6.240 4.605 1.00 0.00 H new ATOM 0 HB VAL A 43 8.415 -6.663 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.065 -8.180 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.584 -8.959 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.910 -8.382 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.684 -5.742 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.506 -5.805 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.921 -4.732 2.580 1.00 0.00 H new ATOM 693 N THR A 44 8.131 -8.963 4.875 1.00 0.00 N ATOM 694 CA THR A 44 8.136 -10.313 5.413 1.00 0.00 C ATOM 695 C THR A 44 8.216 -10.278 6.940 1.00 0.00 C ATOM 696 O THR A 44 7.612 -11.109 7.616 1.00 0.00 O ATOM 697 CB THR A 44 9.290 -11.077 4.761 1.00 0.00 C ATOM 698 OG1 THR A 44 9.078 -10.899 3.363 1.00 0.00 O ATOM 699 CG2 THR A 44 9.179 -12.590 4.965 1.00 0.00 C ATOM 0 H THR A 44 8.991 -8.690 4.399 1.00 0.00 H new ATOM 0 HA THR A 44 7.208 -10.836 5.180 1.00 0.00 H new ATOM 0 HB THR A 44 10.237 -10.724 5.170 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.783 -11.361 2.864 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.022 -13.085 4.483 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.188 -12.815 6.032 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.248 -12.949 4.526 1.00 0.00 H new ATOM 707 N LYS A 45 8.968 -9.307 7.439 1.00 0.00 N ATOM 708 CA LYS A 45 9.135 -9.153 8.874 1.00 0.00 C ATOM 709 C LYS A 45 7.763 -8.977 9.527 1.00 0.00 C ATOM 710 O LYS A 45 7.430 -9.680 10.480 1.00 0.00 O ATOM 711 CB LYS A 45 10.112 -8.016 9.180 1.00 0.00 C ATOM 712 CG LYS A 45 11.131 -8.439 10.241 1.00 0.00 C ATOM 713 CD LYS A 45 11.081 -7.505 11.452 1.00 0.00 C ATOM 714 CE LYS A 45 12.488 -7.217 11.979 1.00 0.00 C ATOM 715 NZ LYS A 45 13.214 -8.480 12.236 1.00 0.00 N ATOM 0 H LYS A 45 9.468 -8.620 6.875 1.00 0.00 H new ATOM 0 HA LYS A 45 9.580 -10.050 9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.632 -7.723 8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.561 -7.142 9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.928 -9.462 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.133 -8.431 9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.594 -6.570 11.175 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.479 -7.957 12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.038 -6.616 11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.426 -6.633 12.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.982 -8.307 12.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.557 -9.185 12.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.614 -8.838 11.345 1.00 0.00 H new ATOM 729 N GLU A 46 7.003 -8.035 8.989 1.00 0.00 N ATOM 730 CA GLU A 46 5.674 -7.757 9.508 1.00 0.00 C ATOM 731 C GLU A 46 4.626 -8.567 8.742 1.00 0.00 C ATOM 732 O GLU A 46 3.441 -8.521 9.068 1.00 0.00 O ATOM 733 CB GLU A 46 5.363 -6.261 9.446 1.00 0.00 C ATOM 734 CG GLU A 46 5.980 -5.523 10.637 1.00 0.00 C ATOM 735 CD GLU A 46 7.497 -5.401 10.479 1.00 0.00 C ATOM 736 OE1 GLU A 46 7.976 -5.684 9.360 1.00 0.00 O ATOM 737 OE2 GLU A 46 8.143 -5.027 11.482 1.00 0.00 O ATOM 0 H GLU A 46 7.282 -7.454 8.198 1.00 0.00 H new ATOM 0 HA GLU A 46 5.644 -8.057 10.555 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.749 -5.844 8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.284 -6.110 9.440 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.539 -4.530 10.723 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.748 -6.056 11.559 1.00 0.00 H new ATOM 744 N ARG A 47 5.101 -9.290 7.738 1.00 0.00 N ATOM 745 CA ARG A 47 4.219 -10.109 6.923 1.00 0.00 C ATOM 746 C ARG A 47 2.792 -9.560 6.969 1.00 0.00 C ATOM 747 O ARG A 47 1.872 -10.247 7.410 1.00 0.00 O ATOM 748 CB ARG A 47 4.215 -11.561 7.405 1.00 0.00 C ATOM 749 CG ARG A 47 3.802 -11.650 8.875 1.00 0.00 C ATOM 750 CD ARG A 47 2.711 -12.703 9.076 1.00 0.00 C ATOM 751 NE ARG A 47 3.208 -14.033 8.658 1.00 0.00 N ATOM 752 CZ ARG A 47 2.416 -15.053 8.301 1.00 0.00 C ATOM 753 NH1 ARG A 47 1.084 -14.902 8.308 1.00 0.00 N ATOM 754 NH2 ARG A 47 2.955 -16.225 7.937 1.00 0.00 N ATOM 0 H ARG A 47 6.085 -9.326 7.470 1.00 0.00 H new ATOM 0 HA ARG A 47 4.591 -10.079 5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.529 -12.148 6.795 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.207 -11.994 7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.670 -11.899 9.486 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.442 -10.679 9.215 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.410 -12.731 10.123 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.827 -12.438 8.497 1.00 0.00 H new ATOM 0 HE ARG A 47 4.217 -14.182 8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.673 -14.010 8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.481 -15.679 8.036 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.968 -16.341 7.932 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.352 -17.001 7.665 1.00 0.00 H new ATOM 768 N PRO A 48 2.648 -8.293 6.495 1.00 0.00 N ATOM 769 CA PRO A 48 1.348 -7.644 6.477 1.00 0.00 C ATOM 770 C PRO A 48 0.472 -8.201 5.354 1.00 0.00 C ATOM 771 O PRO A 48 0.978 -8.588 4.301 1.00 0.00 O ATOM 772 CB PRO A 48 1.651 -6.163 6.316 1.00 0.00 C ATOM 773 CG PRO A 48 3.073 -6.083 5.785 1.00 0.00 C ATOM 774 CD PRO A 48 3.715 -7.449 5.965 1.00 0.00 C ATOM 0 HA PRO A 48 0.775 -7.824 7.387 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.950 -5.694 5.626 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.560 -5.640 7.268 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.072 -5.797 4.733 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.639 -5.322 6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.093 -7.836 5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.561 -7.402 6.651 1.00 0.00 H new ATOM 782 N ASP A 49 -0.826 -8.223 5.615 1.00 0.00 N ATOM 783 CA ASP A 49 -1.778 -8.726 4.639 1.00 0.00 C ATOM 784 C ASP A 49 -2.075 -7.632 3.612 1.00 0.00 C ATOM 785 O ASP A 49 -2.905 -7.818 2.723 1.00 0.00 O ATOM 786 CB ASP A 49 -3.097 -9.118 5.307 1.00 0.00 C ATOM 787 CG ASP A 49 -2.971 -10.142 6.437 1.00 0.00 C ATOM 788 OD1 ASP A 49 -2.457 -9.747 7.506 1.00 0.00 O ATOM 789 OD2 ASP A 49 -3.391 -11.296 6.206 1.00 0.00 O ATOM 0 H ASP A 49 -1.242 -7.900 6.489 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.341 -9.603 4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.568 -8.218 5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.767 -9.519 4.546 1.00 0.00 H new ATOM 794 N LEU A 50 -1.380 -6.514 3.767 1.00 0.00 N ATOM 795 CA LEU A 50 -1.559 -5.390 2.864 1.00 0.00 C ATOM 796 C LEU A 50 -0.418 -4.392 3.068 1.00 0.00 C ATOM 797 O LEU A 50 0.032 -4.178 4.192 1.00 0.00 O ATOM 798 CB LEU A 50 -2.950 -4.778 3.040 1.00 0.00 C ATOM 799 CG LEU A 50 -3.793 -4.652 1.769 1.00 0.00 C ATOM 800 CD1 LEU A 50 -4.187 -6.029 1.234 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.012 -3.758 2.006 1.00 0.00 C ATOM 0 H LEU A 50 -0.692 -6.363 4.505 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.511 -5.722 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.502 -5.382 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.836 -3.786 3.477 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.186 -4.171 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.785 -5.911 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.288 -6.600 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.769 -6.559 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.594 -3.685 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.630 -4.187 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.681 -2.764 2.306 1.00 0.00 H new ATOM 813 N VAL A 51 0.018 -3.806 1.962 1.00 0.00 N ATOM 814 CA VAL A 51 1.098 -2.835 2.004 1.00 0.00 C ATOM 815 C VAL A 51 0.766 -1.668 1.074 1.00 0.00 C ATOM 816 O VAL A 51 0.176 -1.864 0.012 1.00 0.00 O ATOM 817 CB VAL A 51 2.426 -3.514 1.661 1.00 0.00 C ATOM 818 CG1 VAL A 51 3.559 -2.490 1.577 1.00 0.00 C ATOM 819 CG2 VAL A 51 2.755 -4.616 2.671 1.00 0.00 C ATOM 0 H VAL A 51 -0.358 -3.985 1.031 1.00 0.00 H new ATOM 0 HA VAL A 51 1.206 -2.428 3.009 1.00 0.00 H new ATOM 0 HB VAL A 51 2.322 -3.979 0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.492 -2.998 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.331 -1.758 0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.663 -1.983 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.703 -5.083 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.831 -4.184 3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.965 -5.367 2.660 1.00 0.00 H new ATOM 829 N LEU A 52 1.158 -0.478 1.505 1.00 0.00 N ATOM 830 CA LEU A 52 0.909 0.721 0.724 1.00 0.00 C ATOM 831 C LEU A 52 2.242 1.400 0.401 1.00 0.00 C ATOM 832 O LEU A 52 3.008 1.731 1.305 1.00 0.00 O ATOM 833 CB LEU A 52 -0.087 1.632 1.444 1.00 0.00 C ATOM 834 CG LEU A 52 0.052 3.131 1.165 1.00 0.00 C ATOM 835 CD1 LEU A 52 -1.302 3.835 1.269 1.00 0.00 C ATOM 836 CD2 LEU A 52 1.100 3.764 2.082 1.00 0.00 C ATOM 0 H LEU A 52 1.647 -0.319 2.386 1.00 0.00 H new ATOM 0 HA LEU A 52 0.442 0.466 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.096 1.323 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.014 1.471 2.517 1.00 0.00 H new ATOM 0 HG LEU A 52 0.403 3.258 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.176 4.899 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.992 3.407 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.705 3.702 2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.179 4.829 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.803 3.628 3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.066 3.287 1.915 1.00 0.00 H new ATOM 848 N LEU A 53 2.477 1.588 -0.889 1.00 0.00 N ATOM 849 CA LEU A 53 3.703 2.222 -1.342 1.00 0.00 C ATOM 850 C LEU A 53 3.356 3.412 -2.238 1.00 0.00 C ATOM 851 O LEU A 53 2.429 3.339 -3.043 1.00 0.00 O ATOM 852 CB LEU A 53 4.622 1.196 -2.009 1.00 0.00 C ATOM 853 CG LEU A 53 6.051 1.661 -2.295 1.00 0.00 C ATOM 854 CD1 LEU A 53 6.893 0.523 -2.875 1.00 0.00 C ATOM 855 CD2 LEU A 53 6.056 2.896 -3.199 1.00 0.00 C ATOM 0 H LEU A 53 1.839 1.312 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 53 4.265 2.615 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.669 0.312 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.166 0.887 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 53 6.510 1.952 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.904 0.881 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.930 -0.301 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.445 0.178 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.084 3.206 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.571 2.656 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.516 3.707 -2.710 1.00 0.00 H new ATOM 867 N ASP A 54 4.120 4.482 -2.069 1.00 0.00 N ATOM 868 CA ASP A 54 3.905 5.687 -2.852 1.00 0.00 C ATOM 869 C ASP A 54 5.000 5.801 -3.914 1.00 0.00 C ATOM 870 O ASP A 54 6.185 5.686 -3.604 1.00 0.00 O ATOM 871 CB ASP A 54 3.968 6.936 -1.971 1.00 0.00 C ATOM 872 CG ASP A 54 5.000 7.980 -2.402 1.00 0.00 C ATOM 873 OD1 ASP A 54 4.926 8.400 -3.577 1.00 0.00 O ATOM 874 OD2 ASP A 54 5.841 8.333 -1.547 1.00 0.00 O ATOM 0 H ASP A 54 4.889 4.539 -1.401 1.00 0.00 H new ATOM 0 HA ASP A 54 2.918 5.620 -3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.984 7.404 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.188 6.630 -0.948 1.00 0.00 H new ATOM 879 N MET A 55 4.565 6.027 -5.145 1.00 0.00 N ATOM 880 CA MET A 55 5.494 6.159 -6.255 1.00 0.00 C ATOM 881 C MET A 55 6.475 7.309 -6.016 1.00 0.00 C ATOM 882 O MET A 55 7.606 7.086 -5.589 1.00 0.00 O ATOM 883 CB MET A 55 4.714 6.413 -7.546 1.00 0.00 C ATOM 884 CG MET A 55 4.087 5.120 -8.071 1.00 0.00 C ATOM 885 SD MET A 55 2.531 4.819 -7.250 1.00 0.00 S ATOM 886 CE MET A 55 3.104 3.914 -5.822 1.00 0.00 C ATOM 0 H MET A 55 3.582 6.122 -5.398 1.00 0.00 H new ATOM 0 HA MET A 55 6.063 5.233 -6.340 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.934 7.152 -7.364 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.380 6.831 -8.301 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.932 5.192 -9.147 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.765 4.283 -7.902 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.794 2.872 -5.903 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.192 3.966 -5.771 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.677 4.351 -4.919 1.00 0.00 H new ATOM 896 N LYS A 56 6.004 8.514 -6.301 1.00 0.00 N ATOM 897 CA LYS A 56 6.825 9.699 -6.123 1.00 0.00 C ATOM 898 C LYS A 56 7.691 9.531 -4.872 1.00 0.00 C ATOM 899 O LYS A 56 7.192 9.616 -3.751 1.00 0.00 O ATOM 900 CB LYS A 56 5.954 10.957 -6.103 1.00 0.00 C ATOM 901 CG LYS A 56 6.193 11.810 -7.350 1.00 0.00 C ATOM 902 CD LYS A 56 5.135 12.908 -7.475 1.00 0.00 C ATOM 903 CE LYS A 56 5.263 13.643 -8.810 1.00 0.00 C ATOM 904 NZ LYS A 56 6.024 14.901 -8.639 1.00 0.00 N ATOM 0 H LYS A 56 5.064 8.695 -6.654 1.00 0.00 H new ATOM 0 HA LYS A 56 7.503 9.822 -6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.903 10.675 -6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.175 11.542 -5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.185 12.260 -7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.172 11.177 -8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.140 12.471 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.242 13.617 -6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.764 13.004 -9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.272 13.862 -9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.101 15.387 -9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.530 15.516 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.976 14.685 -8.280 1.00 0.00 H new ATOM 918 N ILE A 57 8.974 9.295 -5.107 1.00 0.00 N ATOM 919 CA ILE A 57 9.913 9.114 -4.013 1.00 0.00 C ATOM 920 C ILE A 57 11.297 9.601 -4.450 1.00 0.00 C ATOM 921 O ILE A 57 11.740 9.308 -5.559 1.00 0.00 O ATOM 922 CB ILE A 57 9.897 7.664 -3.527 1.00 0.00 C ATOM 923 CG1 ILE A 57 8.704 7.409 -2.603 1.00 0.00 C ATOM 924 CG2 ILE A 57 11.224 7.292 -2.864 1.00 0.00 C ATOM 925 CD1 ILE A 57 8.769 8.304 -1.364 1.00 0.00 C ATOM 0 H ILE A 57 9.385 9.225 -6.038 1.00 0.00 H new ATOM 0 HA ILE A 57 9.618 9.717 -3.154 1.00 0.00 H new ATOM 0 HB ILE A 57 9.778 7.015 -4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.775 7.595 -3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.692 6.362 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.185 6.256 -2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 57 12.035 7.410 -3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 57 11.399 7.945 -2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.910 8.103 -0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.687 8.098 -0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.757 9.350 -1.670 1.00 0.00 H new ATOM 937 N PRO A 58 11.958 10.354 -3.531 1.00 0.00 N ATOM 938 CA PRO A 58 13.282 10.883 -3.809 1.00 0.00 C ATOM 939 C PRO A 58 14.342 9.784 -3.721 1.00 0.00 C ATOM 940 O PRO A 58 14.238 8.881 -2.892 1.00 0.00 O ATOM 941 CB PRO A 58 13.486 11.989 -2.787 1.00 0.00 C ATOM 942 CG PRO A 58 12.473 11.730 -1.684 1.00 0.00 C ATOM 943 CD PRO A 58 11.464 10.720 -2.206 1.00 0.00 C ATOM 0 HA PRO A 58 13.375 11.273 -4.822 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.503 11.975 -2.394 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.331 12.970 -3.237 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.969 11.348 -0.792 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.974 12.656 -1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.400 9.850 -1.553 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.464 11.151 -2.261 1.00 0.00 H new ATOM 951 N GLY A 59 15.338 9.895 -4.588 1.00 0.00 N ATOM 952 CA GLY A 59 16.416 8.922 -4.619 1.00 0.00 C ATOM 953 C GLY A 59 16.177 7.873 -5.706 1.00 0.00 C ATOM 954 O GLY A 59 17.115 7.440 -6.373 1.00 0.00 O ATOM 0 H GLY A 59 15.421 10.645 -5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.363 9.429 -4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.497 8.433 -3.648 1.00 0.00 H new ATOM 958 N MET A 60 14.915 7.494 -5.852 1.00 0.00 N ATOM 959 CA MET A 60 14.541 6.504 -6.847 1.00 0.00 C ATOM 960 C MET A 60 13.037 6.223 -6.802 1.00 0.00 C ATOM 961 O MET A 60 12.557 5.536 -5.902 1.00 0.00 O ATOM 962 CB MET A 60 15.310 5.207 -6.591 1.00 0.00 C ATOM 963 CG MET A 60 15.430 4.379 -7.873 1.00 0.00 C ATOM 964 SD MET A 60 15.581 2.647 -7.469 1.00 0.00 S ATOM 965 CE MET A 60 13.969 2.353 -6.760 1.00 0.00 C ATOM 0 H MET A 60 14.139 7.855 -5.297 1.00 0.00 H new ATOM 0 HA MET A 60 14.790 6.896 -7.833 1.00 0.00 H new ATOM 0 HB2 MET A 60 16.304 5.439 -6.209 1.00 0.00 H new ATOM 0 HB3 MET A 60 14.801 4.624 -5.823 1.00 0.00 H new ATOM 0 HG2 MET A 60 14.555 4.539 -8.502 1.00 0.00 H new ATOM 0 HG3 MET A 60 16.298 4.704 -8.446 1.00 0.00 H new ATOM 0 HE1 MET A 60 13.692 1.309 -6.906 1.00 0.00 H new ATOM 0 HE2 MET A 60 13.995 2.576 -5.693 1.00 0.00 H new ATOM 0 HE3 MET A 60 13.235 2.995 -7.247 1.00 0.00 H new ATOM 975 N ASP A 61 12.336 6.770 -7.785 1.00 0.00 N ATOM 976 CA ASP A 61 10.897 6.586 -7.869 1.00 0.00 C ATOM 977 C ASP A 61 10.554 5.129 -7.557 1.00 0.00 C ATOM 978 O ASP A 61 11.428 4.263 -7.575 1.00 0.00 O ATOM 979 CB ASP A 61 10.383 6.903 -9.275 1.00 0.00 C ATOM 980 CG ASP A 61 11.463 6.981 -10.356 1.00 0.00 C ATOM 981 OD1 ASP A 61 12.056 5.919 -10.644 1.00 0.00 O ATOM 982 OD2 ASP A 61 11.671 8.101 -10.870 1.00 0.00 O ATOM 0 H ASP A 61 12.738 7.340 -8.529 1.00 0.00 H new ATOM 0 HA ASP A 61 10.428 7.261 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.658 6.141 -9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.851 7.854 -9.245 1.00 0.00 H new ATOM 987 N GLY A 62 9.279 4.901 -7.278 1.00 0.00 N ATOM 988 CA GLY A 62 8.809 3.563 -6.962 1.00 0.00 C ATOM 989 C GLY A 62 8.503 2.774 -8.237 1.00 0.00 C ATOM 990 O GLY A 62 7.900 1.704 -8.179 1.00 0.00 O ATOM 0 H GLY A 62 8.557 5.621 -7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.564 3.037 -6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.913 3.625 -6.344 1.00 0.00 H new ATOM 994 N ILE A 63 8.932 3.334 -9.359 1.00 0.00 N ATOM 995 CA ILE A 63 8.712 2.696 -10.645 1.00 0.00 C ATOM 996 C ILE A 63 9.483 1.376 -10.695 1.00 0.00 C ATOM 997 O ILE A 63 9.002 0.392 -11.254 1.00 0.00 O ATOM 998 CB ILE A 63 9.060 3.656 -11.785 1.00 0.00 C ATOM 999 CG1 ILE A 63 8.222 4.933 -11.703 1.00 0.00 C ATOM 1000 CG2 ILE A 63 8.922 2.966 -13.144 1.00 0.00 C ATOM 1001 CD1 ILE A 63 8.896 6.081 -12.458 1.00 0.00 C ATOM 0 H ILE A 63 9.431 4.223 -9.403 1.00 0.00 H new ATOM 0 HA ILE A 63 7.657 2.453 -10.774 1.00 0.00 H new ATOM 0 HB ILE A 63 10.104 3.950 -11.677 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.232 4.750 -12.121 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.081 5.213 -10.659 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.175 3.670 -13.937 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.597 2.111 -13.188 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.895 2.624 -13.276 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.279 6.977 -12.384 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.876 6.278 -12.022 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.014 5.807 -13.507 1.00 0.00 H new ATOM 1013 N GLU A 64 10.668 1.398 -10.102 1.00 0.00 N ATOM 1014 CA GLU A 64 11.511 0.214 -10.071 1.00 0.00 C ATOM 1015 C GLU A 64 11.163 -0.653 -8.860 1.00 0.00 C ATOM 1016 O GLU A 64 11.068 -1.875 -8.973 1.00 0.00 O ATOM 1017 CB GLU A 64 12.992 0.597 -10.065 1.00 0.00 C ATOM 1018 CG GLU A 64 13.375 1.327 -11.354 1.00 0.00 C ATOM 1019 CD GLU A 64 13.566 0.340 -12.507 1.00 0.00 C ATOM 1020 OE1 GLU A 64 12.540 -0.008 -13.132 1.00 0.00 O ATOM 1021 OE2 GLU A 64 14.732 -0.044 -12.739 1.00 0.00 O ATOM 0 H GLU A 64 11.064 2.216 -9.640 1.00 0.00 H new ATOM 0 HA GLU A 64 11.324 -0.367 -10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.203 1.234 -9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.603 -0.299 -9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.599 2.048 -11.612 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.294 1.891 -11.197 1.00 0.00 H new ATOM 1028 N ILE A 65 10.983 0.011 -7.728 1.00 0.00 N ATOM 1029 CA ILE A 65 10.648 -0.684 -6.497 1.00 0.00 C ATOM 1030 C ILE A 65 9.443 -1.594 -6.742 1.00 0.00 C ATOM 1031 O ILE A 65 9.549 -2.814 -6.632 1.00 0.00 O ATOM 1032 CB ILE A 65 10.444 0.314 -5.356 1.00 0.00 C ATOM 1033 CG1 ILE A 65 11.776 0.671 -4.694 1.00 0.00 C ATOM 1034 CG2 ILE A 65 9.423 -0.211 -4.344 1.00 0.00 C ATOM 1035 CD1 ILE A 65 12.475 -0.580 -4.159 1.00 0.00 C ATOM 0 H ILE A 65 11.063 1.024 -7.637 1.00 0.00 H new ATOM 0 HA ILE A 65 11.473 -1.324 -6.185 1.00 0.00 H new ATOM 0 HB ILE A 65 10.037 1.234 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.422 1.172 -5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.604 1.373 -3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.297 0.518 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.467 -0.372 -4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.777 -1.153 -3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.419 -0.298 -3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.837 -1.066 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.667 -1.269 -4.981 1.00 0.00 H new ATOM 1047 N LEU A 66 8.324 -0.965 -7.069 1.00 0.00 N ATOM 1048 CA LEU A 66 7.099 -1.702 -7.330 1.00 0.00 C ATOM 1049 C LEU A 66 7.357 -2.739 -8.425 1.00 0.00 C ATOM 1050 O LEU A 66 6.707 -3.783 -8.462 1.00 0.00 O ATOM 1051 CB LEU A 66 5.953 -0.741 -7.651 1.00 0.00 C ATOM 1052 CG LEU A 66 5.391 0.052 -6.469 1.00 0.00 C ATOM 1053 CD1 LEU A 66 5.480 -0.758 -5.174 1.00 0.00 C ATOM 1054 CD2 LEU A 66 6.081 1.412 -6.343 1.00 0.00 C ATOM 0 H LEU A 66 8.240 0.047 -7.159 1.00 0.00 H new ATOM 0 HA LEU A 66 6.786 -2.248 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.298 -0.034 -8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.140 -1.313 -8.098 1.00 0.00 H new ATOM 0 HG LEU A 66 4.335 0.243 -6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.074 -0.172 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.907 -1.679 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.522 -1.001 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.663 1.955 -5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.150 1.265 -6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.922 1.986 -7.256 1.00 0.00 H new ATOM 1066 N LYS A 67 8.308 -2.415 -9.290 1.00 0.00 N ATOM 1067 CA LYS A 67 8.659 -3.306 -10.382 1.00 0.00 C ATOM 1068 C LYS A 67 9.344 -4.553 -9.819 1.00 0.00 C ATOM 1069 O LYS A 67 8.821 -5.660 -9.937 1.00 0.00 O ATOM 1070 CB LYS A 67 9.495 -2.566 -11.429 1.00 0.00 C ATOM 1071 CG LYS A 67 8.698 -2.356 -12.718 1.00 0.00 C ATOM 1072 CD LYS A 67 9.630 -2.079 -13.900 1.00 0.00 C ATOM 1073 CE LYS A 67 9.583 -3.223 -14.915 1.00 0.00 C ATOM 1074 NZ LYS A 67 10.612 -3.030 -15.961 1.00 0.00 N ATOM 0 H LYS A 67 8.845 -1.549 -9.256 1.00 0.00 H new ATOM 0 HA LYS A 67 7.762 -3.642 -10.902 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.811 -1.602 -11.032 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.400 -3.134 -11.645 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.095 -3.240 -12.925 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.008 -1.522 -12.591 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.341 -1.146 -14.384 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.651 -1.949 -13.540 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.745 -4.174 -14.408 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.595 -3.271 -15.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.567 -3.815 -16.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.439 -2.132 -16.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.554 -3.007 -15.521 1.00 0.00 H new ATOM 1088 N ARG A 68 10.504 -4.331 -9.217 1.00 0.00 N ATOM 1089 CA ARG A 68 11.265 -5.422 -8.634 1.00 0.00 C ATOM 1090 C ARG A 68 10.399 -6.206 -7.646 1.00 0.00 C ATOM 1091 O ARG A 68 10.523 -7.425 -7.537 1.00 0.00 O ATOM 1092 CB ARG A 68 12.509 -4.902 -7.910 1.00 0.00 C ATOM 1093 CG ARG A 68 13.732 -4.936 -8.829 1.00 0.00 C ATOM 1094 CD ARG A 68 14.922 -4.223 -8.183 1.00 0.00 C ATOM 1095 NE ARG A 68 15.583 -5.121 -7.210 1.00 0.00 N ATOM 1096 CZ ARG A 68 16.745 -4.845 -6.602 1.00 0.00 C ATOM 1097 NH1 ARG A 68 17.381 -3.695 -6.864 1.00 0.00 N ATOM 1098 NH2 ARG A 68 17.270 -5.719 -5.733 1.00 0.00 N ATOM 0 H ARG A 68 10.935 -3.411 -9.121 1.00 0.00 H new ATOM 0 HA ARG A 68 11.579 -6.077 -9.447 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.335 -3.882 -7.568 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.698 -5.508 -7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.998 -5.970 -9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.491 -4.460 -9.780 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.634 -3.918 -8.950 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.585 -3.316 -7.682 1.00 0.00 H new ATOM 0 HE ARG A 68 15.126 -6.005 -6.988 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.981 -3.030 -7.526 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.265 -3.484 -6.401 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.785 -6.594 -5.534 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.154 -5.509 -5.270 1.00 0.00 H new ATOM 1112 N MET A 69 9.541 -5.474 -6.951 1.00 0.00 N ATOM 1113 CA MET A 69 8.654 -6.085 -5.975 1.00 0.00 C ATOM 1114 C MET A 69 7.817 -7.194 -6.614 1.00 0.00 C ATOM 1115 O MET A 69 7.837 -8.335 -6.155 1.00 0.00 O ATOM 1116 CB MET A 69 7.727 -5.018 -5.389 1.00 0.00 C ATOM 1117 CG MET A 69 7.930 -4.886 -3.878 1.00 0.00 C ATOM 1118 SD MET A 69 8.238 -3.180 -3.451 1.00 0.00 S ATOM 1119 CE MET A 69 6.675 -2.763 -2.695 1.00 0.00 C ATOM 0 H MET A 69 9.441 -4.463 -7.044 1.00 0.00 H new ATOM 0 HA MET A 69 9.262 -6.525 -5.184 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.920 -4.059 -5.871 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.689 -5.277 -5.599 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.047 -5.248 -3.351 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.768 -5.506 -3.560 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.154 -2.034 -3.315 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.065 -3.661 -2.601 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.851 -2.339 -1.706 1.00 0.00 H new ATOM 1129 N LYS A 70 7.100 -6.820 -7.664 1.00 0.00 N ATOM 1130 CA LYS A 70 6.258 -7.770 -8.372 1.00 0.00 C ATOM 1131 C LYS A 70 7.139 -8.734 -9.167 1.00 0.00 C ATOM 1132 O LYS A 70 6.876 -9.935 -9.204 1.00 0.00 O ATOM 1133 CB LYS A 70 5.223 -7.034 -9.226 1.00 0.00 C ATOM 1134 CG LYS A 70 5.797 -6.683 -10.600 1.00 0.00 C ATOM 1135 CD LYS A 70 5.868 -7.920 -11.498 1.00 0.00 C ATOM 1136 CE LYS A 70 5.173 -7.666 -12.837 1.00 0.00 C ATOM 1137 NZ LYS A 70 4.248 -8.775 -13.159 1.00 0.00 N ATOM 0 H LYS A 70 7.085 -5.873 -8.041 1.00 0.00 H new ATOM 0 HA LYS A 70 5.686 -8.372 -7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.336 -7.657 -9.346 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.907 -6.124 -8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.177 -5.921 -11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.793 -6.256 -10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.910 -8.189 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.399 -8.766 -10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.623 -6.726 -12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.918 -7.565 -13.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.047 -8.774 -14.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.685 -9.680 -12.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.360 -8.651 -12.632 1.00 0.00 H new ATOM 1151 N VAL A 71 8.168 -8.172 -9.785 1.00 0.00 N ATOM 1152 CA VAL A 71 9.090 -8.967 -10.579 1.00 0.00 C ATOM 1153 C VAL A 71 9.767 -10.003 -9.679 1.00 0.00 C ATOM 1154 O VAL A 71 10.164 -11.070 -10.145 1.00 0.00 O ATOM 1155 CB VAL A 71 10.087 -8.053 -11.294 1.00 0.00 C ATOM 1156 CG1 VAL A 71 11.016 -8.861 -12.202 1.00 0.00 C ATOM 1157 CG2 VAL A 71 9.362 -6.961 -12.083 1.00 0.00 C ATOM 0 H VAL A 71 8.384 -7.176 -9.752 1.00 0.00 H new ATOM 0 HA VAL A 71 8.554 -9.512 -11.356 1.00 0.00 H new ATOM 0 HB VAL A 71 10.700 -7.566 -10.535 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.715 -8.188 -12.699 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.571 -9.584 -11.604 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.425 -9.388 -12.951 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.094 -6.325 -12.581 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.713 -7.421 -12.828 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.762 -6.358 -11.402 1.00 0.00 H new ATOM 1167 N ILE A 72 9.878 -9.652 -8.406 1.00 0.00 N ATOM 1168 CA ILE A 72 10.501 -10.538 -7.437 1.00 0.00 C ATOM 1169 C ILE A 72 9.505 -11.627 -7.035 1.00 0.00 C ATOM 1170 O ILE A 72 9.817 -12.815 -7.103 1.00 0.00 O ATOM 1171 CB ILE A 72 11.048 -9.738 -6.253 1.00 0.00 C ATOM 1172 CG1 ILE A 72 12.355 -9.034 -6.624 1.00 0.00 C ATOM 1173 CG2 ILE A 72 11.205 -10.626 -5.017 1.00 0.00 C ATOM 1174 CD1 ILE A 72 13.553 -9.964 -6.427 1.00 0.00 C ATOM 0 H ILE A 72 9.547 -8.766 -8.023 1.00 0.00 H new ATOM 0 HA ILE A 72 11.362 -11.039 -7.878 1.00 0.00 H new ATOM 0 HB ILE A 72 10.325 -8.962 -6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.313 -8.704 -7.662 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.478 -8.141 -6.011 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.595 -10.033 -4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.235 -11.040 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.897 -11.439 -5.238 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.469 -9.439 -6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.606 -10.272 -5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.438 -10.844 -7.060 1.00 0.00 H new ATOM 1186 N ASP A 73 8.325 -11.184 -6.626 1.00 0.00 N ATOM 1187 CA ASP A 73 7.281 -12.107 -6.213 1.00 0.00 C ATOM 1188 C ASP A 73 5.982 -11.761 -6.945 1.00 0.00 C ATOM 1189 O ASP A 73 5.680 -10.589 -7.159 1.00 0.00 O ATOM 1190 CB ASP A 73 7.018 -12.004 -4.709 1.00 0.00 C ATOM 1191 CG ASP A 73 7.865 -10.963 -3.974 1.00 0.00 C ATOM 1192 OD1 ASP A 73 7.658 -9.763 -4.253 1.00 0.00 O ATOM 1193 OD2 ASP A 73 8.702 -11.392 -3.150 1.00 0.00 O ATOM 0 H ASP A 73 8.069 -10.198 -6.572 1.00 0.00 H new ATOM 0 HA ASP A 73 7.610 -13.118 -6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.965 -11.768 -4.555 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.196 -12.980 -4.257 1.00 0.00 H new ATOM 1198 N GLU A 74 5.250 -12.804 -7.308 1.00 0.00 N ATOM 1199 CA GLU A 74 3.991 -12.626 -8.011 1.00 0.00 C ATOM 1200 C GLU A 74 2.816 -12.801 -7.048 1.00 0.00 C ATOM 1201 O GLU A 74 1.663 -12.595 -7.425 1.00 0.00 O ATOM 1202 CB GLU A 74 3.881 -13.592 -9.192 1.00 0.00 C ATOM 1203 CG GLU A 74 3.427 -14.977 -8.728 1.00 0.00 C ATOM 1204 CD GLU A 74 3.410 -15.968 -9.893 1.00 0.00 C ATOM 1205 OE1 GLU A 74 4.509 -16.237 -10.425 1.00 0.00 O ATOM 1206 OE2 GLU A 74 2.300 -16.435 -10.225 1.00 0.00 O ATOM 0 H GLU A 74 5.505 -13.775 -7.128 1.00 0.00 H new ATOM 0 HA GLU A 74 3.960 -11.612 -8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.174 -13.200 -9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.846 -13.671 -9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.095 -15.340 -7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.431 -14.909 -8.289 1.00 0.00 H new ATOM 1213 N ASN A 75 3.147 -13.181 -5.823 1.00 0.00 N ATOM 1214 CA ASN A 75 2.134 -13.388 -4.803 1.00 0.00 C ATOM 1215 C ASN A 75 2.064 -12.153 -3.902 1.00 0.00 C ATOM 1216 O ASN A 75 1.173 -12.042 -3.061 1.00 0.00 O ATOM 1217 CB ASN A 75 2.472 -14.594 -3.925 1.00 0.00 C ATOM 1218 CG ASN A 75 1.203 -15.329 -3.489 1.00 0.00 C ATOM 1219 OD1 ASN A 75 0.153 -15.226 -4.103 1.00 0.00 O ATOM 1220 ND2 ASN A 75 1.356 -16.074 -2.399 1.00 0.00 N ATOM 0 H ASN A 75 4.104 -13.351 -5.514 1.00 0.00 H new ATOM 0 HA ASN A 75 1.183 -13.564 -5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.121 -15.277 -4.473 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.026 -14.264 -3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.567 -16.604 -2.028 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.262 -16.116 -1.933 1.00 0.00 H new ATOM 1227 N ILE A 76 3.016 -11.255 -4.109 1.00 0.00 N ATOM 1228 CA ILE A 76 3.074 -10.032 -3.326 1.00 0.00 C ATOM 1229 C ILE A 76 1.815 -9.203 -3.588 1.00 0.00 C ATOM 1230 O ILE A 76 1.358 -9.105 -4.725 1.00 0.00 O ATOM 1231 CB ILE A 76 4.376 -9.278 -3.606 1.00 0.00 C ATOM 1232 CG1 ILE A 76 4.534 -8.087 -2.659 1.00 0.00 C ATOM 1233 CG2 ILE A 76 4.461 -8.858 -5.074 1.00 0.00 C ATOM 1234 CD1 ILE A 76 5.713 -7.206 -3.077 1.00 0.00 C ATOM 0 H ILE A 76 3.753 -11.350 -4.807 1.00 0.00 H new ATOM 0 HA ILE A 76 3.088 -10.262 -2.261 1.00 0.00 H new ATOM 0 HB ILE A 76 5.210 -9.954 -3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.618 -7.497 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.686 -8.445 -1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.396 -8.324 -5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.427 -9.744 -5.708 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.621 -8.206 -5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.803 -6.367 -2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.631 -7.793 -3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.546 -6.830 -4.086 1.00 0.00 H new ATOM 1246 N ARG A 77 1.290 -8.629 -2.515 1.00 0.00 N ATOM 1247 CA ARG A 77 0.092 -7.812 -2.615 1.00 0.00 C ATOM 1248 C ARG A 77 0.374 -6.394 -2.116 1.00 0.00 C ATOM 1249 O ARG A 77 0.550 -6.176 -0.919 1.00 0.00 O ATOM 1250 CB ARG A 77 -1.054 -8.414 -1.799 1.00 0.00 C ATOM 1251 CG ARG A 77 -1.992 -7.321 -1.283 1.00 0.00 C ATOM 1252 CD ARG A 77 -3.417 -7.853 -1.119 1.00 0.00 C ATOM 1253 NE ARG A 77 -3.473 -8.809 0.010 1.00 0.00 N ATOM 1254 CZ ARG A 77 -3.404 -10.140 -0.128 1.00 0.00 C ATOM 1255 NH1 ARG A 77 -3.277 -10.681 -1.347 1.00 0.00 N ATOM 1256 NH2 ARG A 77 -3.463 -10.930 0.953 1.00 0.00 N ATOM 0 H ARG A 77 1.672 -8.713 -1.573 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.202 -7.780 -3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.614 -9.118 -2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.650 -8.978 -0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.628 -6.946 -0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.992 -6.480 -1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.105 -7.026 -0.941 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.739 -8.343 -2.038 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.570 -8.431 0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.233 -10.080 -2.170 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.224 -11.694 -1.452 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.560 -10.518 1.881 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.410 -11.943 0.848 1.00 0.00 H new ATOM 1270 N VAL A 78 0.408 -5.465 -3.061 1.00 0.00 N ATOM 1271 CA VAL A 78 0.666 -4.073 -2.732 1.00 0.00 C ATOM 1272 C VAL A 78 -0.181 -3.175 -3.636 1.00 0.00 C ATOM 1273 O VAL A 78 -0.568 -3.579 -4.731 1.00 0.00 O ATOM 1274 CB VAL A 78 2.164 -3.780 -2.835 1.00 0.00 C ATOM 1275 CG1 VAL A 78 2.418 -2.284 -3.031 1.00 0.00 C ATOM 1276 CG2 VAL A 78 2.911 -4.307 -1.607 1.00 0.00 C ATOM 0 H VAL A 78 0.261 -5.649 -4.053 1.00 0.00 H new ATOM 0 HA VAL A 78 0.377 -3.864 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 78 2.548 -4.302 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.491 -2.103 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.933 -1.950 -3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.012 -1.732 -2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.974 -4.086 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.522 -3.826 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.770 -5.385 -1.530 1.00 0.00 H new ATOM 1286 N ILE A 79 -0.445 -1.974 -3.142 1.00 0.00 N ATOM 1287 CA ILE A 79 -1.240 -1.015 -3.891 1.00 0.00 C ATOM 1288 C ILE A 79 -0.391 0.222 -4.190 1.00 0.00 C ATOM 1289 O ILE A 79 0.412 0.644 -3.359 1.00 0.00 O ATOM 1290 CB ILE A 79 -2.542 -0.704 -3.150 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.670 -1.630 -3.609 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -2.917 0.772 -3.298 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.037 -1.066 -3.218 1.00 0.00 C ATOM 0 H ILE A 79 -0.123 -1.643 -2.233 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.540 -1.435 -4.851 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.384 -0.892 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.622 -1.759 -4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.539 -2.616 -3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.846 0.967 -2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.122 1.393 -2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.050 1.010 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.821 -1.744 -3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.091 -0.961 -2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.175 -0.090 -3.684 1.00 0.00 H new ATOM 1305 N ILE A 80 -0.597 0.769 -5.379 1.00 0.00 N ATOM 1306 CA ILE A 80 0.139 1.949 -5.798 1.00 0.00 C ATOM 1307 C ILE A 80 -0.760 3.180 -5.665 1.00 0.00 C ATOM 1308 O ILE A 80 -1.982 3.074 -5.765 1.00 0.00 O ATOM 1309 CB ILE A 80 0.711 1.753 -7.203 1.00 0.00 C ATOM 1310 CG1 ILE A 80 -0.357 2.006 -8.269 1.00 0.00 C ATOM 1311 CG2 ILE A 80 1.350 0.371 -7.348 1.00 0.00 C ATOM 1312 CD1 ILE A 80 -0.675 3.498 -8.384 1.00 0.00 C ATOM 0 H ILE A 80 -1.264 0.416 -6.066 1.00 0.00 H new ATOM 0 HA ILE A 80 1.000 2.112 -5.149 1.00 0.00 H new ATOM 0 HB ILE A 80 1.500 2.489 -7.356 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.011 1.629 -9.232 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.264 1.456 -8.018 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.749 0.258 -8.356 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.158 0.266 -6.624 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.599 -0.398 -7.167 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.437 3.650 -9.149 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.043 3.866 -7.427 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.228 4.042 -8.659 1.00 0.00 H new ATOM 1324 N MET A 81 -0.121 4.319 -5.443 1.00 0.00 N ATOM 1325 CA MET A 81 -0.849 5.568 -5.297 1.00 0.00 C ATOM 1326 C MET A 81 -0.093 6.723 -5.957 1.00 0.00 C ATOM 1327 O MET A 81 1.077 6.957 -5.657 1.00 0.00 O ATOM 1328 CB MET A 81 -1.048 5.872 -3.810 1.00 0.00 C ATOM 1329 CG MET A 81 -0.230 4.915 -2.941 1.00 0.00 C ATOM 1330 SD MET A 81 -0.506 5.271 -1.214 1.00 0.00 S ATOM 1331 CE MET A 81 1.138 5.775 -0.734 1.00 0.00 C ATOM 0 H MET A 81 0.892 4.403 -5.361 1.00 0.00 H new ATOM 0 HA MET A 81 -1.816 5.463 -5.788 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.752 6.900 -3.603 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.105 5.787 -3.556 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.511 3.884 -3.158 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.830 5.013 -3.176 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.133 6.085 0.311 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.826 4.939 -0.861 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.460 6.608 -1.358 1.00 0.00 H new ATOM 1341 N THR A 82 -0.793 7.415 -6.844 1.00 0.00 N ATOM 1342 CA THR A 82 -0.203 8.540 -7.549 1.00 0.00 C ATOM 1343 C THR A 82 -1.261 9.256 -8.391 1.00 0.00 C ATOM 1344 O THR A 82 -2.199 8.629 -8.880 1.00 0.00 O ATOM 1345 CB THR A 82 0.976 8.017 -8.372 1.00 0.00 C ATOM 1346 OG1 THR A 82 1.071 8.929 -9.463 1.00 0.00 O ATOM 1347 CG2 THR A 82 0.675 6.672 -9.037 1.00 0.00 C ATOM 0 H THR A 82 -1.763 7.218 -7.090 1.00 0.00 H new ATOM 0 HA THR A 82 0.175 9.289 -6.853 1.00 0.00 H new ATOM 0 HB THR A 82 1.850 7.917 -7.729 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.692 8.574 -10.133 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.544 6.346 -9.608 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.445 5.931 -8.271 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.179 6.780 -9.706 1.00 0.00 H new ATOM 1355 N ALA A 83 -1.074 10.560 -8.535 1.00 0.00 N ATOM 1356 CA ALA A 83 -2.001 11.368 -9.309 1.00 0.00 C ATOM 1357 C ALA A 83 -2.099 10.805 -10.728 1.00 0.00 C ATOM 1358 O ALA A 83 -1.201 10.098 -11.183 1.00 0.00 O ATOM 1359 CB ALA A 83 -1.543 12.828 -9.292 1.00 0.00 C ATOM 0 H ALA A 83 -0.294 11.077 -8.129 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.998 11.334 -8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.238 13.434 -9.873 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.518 13.189 -8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.546 12.902 -9.727 1.00 0.00 H new ATOM 1365 N TYR A 84 -3.198 11.140 -11.389 1.00 0.00 N ATOM 1366 CA TYR A 84 -3.425 10.676 -12.747 1.00 0.00 C ATOM 1367 C TYR A 84 -2.408 11.287 -13.712 1.00 0.00 C ATOM 1368 O TYR A 84 -1.281 11.590 -13.322 1.00 0.00 O ATOM 1369 CB TYR A 84 -4.826 11.159 -13.128 1.00 0.00 C ATOM 1370 CG TYR A 84 -4.997 12.678 -13.072 1.00 0.00 C ATOM 1371 CD1 TYR A 84 -5.372 13.287 -11.891 1.00 0.00 C ATOM 1372 CD2 TYR A 84 -4.778 13.440 -14.201 1.00 0.00 C ATOM 1373 CE1 TYR A 84 -5.533 14.717 -11.837 1.00 0.00 C ATOM 1374 CE2 TYR A 84 -4.939 14.870 -14.148 1.00 0.00 C ATOM 1375 CZ TYR A 84 -5.309 15.438 -12.968 1.00 0.00 C ATOM 1376 OH TYR A 84 -5.461 16.788 -12.918 1.00 0.00 O ATOM 0 H TYR A 84 -3.941 11.727 -11.009 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.326 9.592 -12.804 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.056 10.815 -14.136 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.553 10.697 -12.460 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.545 12.691 -11.007 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.486 12.964 -15.125 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.825 15.206 -10.919 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.770 15.478 -15.025 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.267 17.172 -13.799 1.00 0.00 H new ATOM 1386 N GLY A 85 -2.841 11.450 -14.953 1.00 0.00 N ATOM 1387 CA GLY A 85 -1.982 12.020 -15.978 1.00 0.00 C ATOM 1388 C GLY A 85 -0.969 10.988 -16.479 1.00 0.00 C ATOM 1389 O GLY A 85 -0.931 10.678 -17.669 1.00 0.00 O ATOM 0 H GLY A 85 -3.776 11.197 -15.273 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.589 12.374 -16.811 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.456 12.886 -15.577 1.00 0.00 H new ATOM 1393 N GLU A 86 -0.173 10.486 -15.546 1.00 0.00 N ATOM 1394 CA GLU A 86 0.837 9.496 -15.879 1.00 0.00 C ATOM 1395 C GLU A 86 0.243 8.088 -15.814 1.00 0.00 C ATOM 1396 O GLU A 86 0.868 7.170 -15.286 1.00 0.00 O ATOM 1397 CB GLU A 86 2.052 9.621 -14.957 1.00 0.00 C ATOM 1398 CG GLU A 86 1.621 9.690 -13.490 1.00 0.00 C ATOM 1399 CD GLU A 86 2.710 9.130 -12.572 1.00 0.00 C ATOM 1400 OE1 GLU A 86 3.893 9.429 -12.847 1.00 0.00 O ATOM 1401 OE2 GLU A 86 2.336 8.416 -11.617 1.00 0.00 O ATOM 0 H GLU A 86 -0.207 10.746 -14.560 1.00 0.00 H new ATOM 0 HA GLU A 86 1.175 9.680 -16.899 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.715 8.769 -15.105 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.619 10.515 -15.216 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.407 10.724 -13.218 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.698 9.127 -13.351 1.00 0.00 H new ATOM 1408 N LEU A 87 -0.959 7.962 -16.359 1.00 0.00 N ATOM 1409 CA LEU A 87 -1.645 6.681 -16.371 1.00 0.00 C ATOM 1410 C LEU A 87 -0.672 5.590 -16.822 1.00 0.00 C ATOM 1411 O LEU A 87 -0.729 4.462 -16.335 1.00 0.00 O ATOM 1412 CB LEU A 87 -2.915 6.762 -17.219 1.00 0.00 C ATOM 1413 CG LEU A 87 -3.978 7.754 -16.743 1.00 0.00 C ATOM 1414 CD1 LEU A 87 -5.088 7.911 -17.784 1.00 0.00 C ATOM 1415 CD2 LEU A 87 -4.530 7.353 -15.373 1.00 0.00 C ATOM 0 H LEU A 87 -1.475 8.726 -16.795 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.976 6.417 -15.367 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.631 7.025 -18.238 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.365 5.770 -17.260 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.505 8.729 -16.627 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.830 8.622 -17.420 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.662 8.278 -18.718 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.564 6.946 -17.957 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.284 8.075 -15.059 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.981 6.363 -15.438 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.719 7.335 -14.645 1.00 0.00 H new ATOM 1427 N ASP A 88 0.199 5.965 -17.748 1.00 0.00 N ATOM 1428 CA ASP A 88 1.183 5.032 -18.271 1.00 0.00 C ATOM 1429 C ASP A 88 1.805 4.251 -17.112 1.00 0.00 C ATOM 1430 O ASP A 88 1.755 3.022 -17.089 1.00 0.00 O ATOM 1431 CB ASP A 88 2.307 5.769 -19.002 1.00 0.00 C ATOM 1432 CG ASP A 88 2.317 5.589 -20.521 1.00 0.00 C ATOM 1433 OD1 ASP A 88 2.057 4.448 -20.959 1.00 0.00 O ATOM 1434 OD2 ASP A 88 2.584 6.597 -21.210 1.00 0.00 O ATOM 0 H ASP A 88 0.244 6.902 -18.149 1.00 0.00 H new ATOM 0 HA ASP A 88 0.677 4.364 -18.968 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.229 6.833 -18.778 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.263 5.428 -18.605 1.00 0.00 H new ATOM 1439 N MET A 89 2.378 4.997 -16.178 1.00 0.00 N ATOM 1440 CA MET A 89 3.009 4.389 -15.019 1.00 0.00 C ATOM 1441 C MET A 89 1.989 3.617 -14.180 1.00 0.00 C ATOM 1442 O MET A 89 2.206 2.452 -13.850 1.00 0.00 O ATOM 1443 CB MET A 89 3.656 5.479 -14.161 1.00 0.00 C ATOM 1444 CG MET A 89 4.685 4.880 -13.199 1.00 0.00 C ATOM 1445 SD MET A 89 3.914 4.513 -11.632 1.00 0.00 S ATOM 1446 CE MET A 89 5.351 4.045 -10.681 1.00 0.00 C ATOM 0 H MET A 89 2.418 6.016 -16.201 1.00 0.00 H new ATOM 0 HA MET A 89 3.768 3.689 -15.367 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.139 6.215 -14.804 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.887 6.006 -13.595 1.00 0.00 H new ATOM 0 HG2 MET A 89 5.109 3.972 -13.627 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.509 5.579 -13.054 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.047 3.399 -9.857 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.053 3.510 -11.321 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.831 4.939 -10.284 1.00 0.00 H new ATOM 1456 N ILE A 90 0.898 4.297 -13.859 1.00 0.00 N ATOM 1457 CA ILE A 90 -0.156 3.690 -13.066 1.00 0.00 C ATOM 1458 C ILE A 90 -0.556 2.353 -13.694 1.00 0.00 C ATOM 1459 O ILE A 90 -0.570 1.325 -13.019 1.00 0.00 O ATOM 1460 CB ILE A 90 -1.325 4.662 -12.892 1.00 0.00 C ATOM 1461 CG1 ILE A 90 -0.922 5.854 -12.022 1.00 0.00 C ATOM 1462 CG2 ILE A 90 -2.560 3.944 -12.345 1.00 0.00 C ATOM 1463 CD1 ILE A 90 -1.176 7.176 -12.749 1.00 0.00 C ATOM 0 H ILE A 90 0.722 5.263 -14.134 1.00 0.00 H new ATOM 0 HA ILE A 90 0.202 3.475 -12.059 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.591 5.055 -13.873 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.485 5.834 -11.089 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.133 5.777 -11.759 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.375 4.658 -12.231 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.860 3.158 -13.038 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.325 3.504 -11.376 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.881 8.006 -12.108 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.593 7.203 -13.669 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.236 7.262 -12.989 1.00 0.00 H new ATOM 1475 N GLN A 91 -0.872 2.411 -14.980 1.00 0.00 N ATOM 1476 CA GLN A 91 -1.271 1.219 -15.707 1.00 0.00 C ATOM 1477 C GLN A 91 -0.241 0.106 -15.508 1.00 0.00 C ATOM 1478 O GLN A 91 -0.596 -1.020 -15.162 1.00 0.00 O ATOM 1479 CB GLN A 91 -1.469 1.523 -17.193 1.00 0.00 C ATOM 1480 CG GLN A 91 -2.931 1.854 -17.496 1.00 0.00 C ATOM 1481 CD GLN A 91 -3.560 0.787 -18.395 1.00 0.00 C ATOM 1482 OE1 GLN A 91 -3.026 -0.293 -18.588 1.00 0.00 O ATOM 1483 NE2 GLN A 91 -4.721 1.150 -18.934 1.00 0.00 N ATOM 0 H GLN A 91 -0.860 3.266 -15.537 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.227 0.878 -15.309 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.835 2.361 -17.484 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -1.156 0.665 -17.788 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.492 1.926 -16.564 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.994 2.828 -17.982 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.112 2.070 -18.731 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.220 0.509 -19.551 1.00 0.00 H new ATOM 1492 N GLU A 92 1.016 0.459 -15.734 1.00 0.00 N ATOM 1493 CA GLU A 92 2.101 -0.496 -15.583 1.00 0.00 C ATOM 1494 C GLU A 92 1.998 -1.207 -14.232 1.00 0.00 C ATOM 1495 O GLU A 92 2.064 -2.434 -14.166 1.00 0.00 O ATOM 1496 CB GLU A 92 3.460 0.188 -15.741 1.00 0.00 C ATOM 1497 CG GLU A 92 4.105 -0.175 -17.079 1.00 0.00 C ATOM 1498 CD GLU A 92 4.682 1.065 -17.765 1.00 0.00 C ATOM 1499 OE1 GLU A 92 5.126 1.968 -17.024 1.00 0.00 O ATOM 1500 OE2 GLU A 92 4.666 1.082 -19.015 1.00 0.00 O ATOM 0 H GLU A 92 1.307 1.394 -16.021 1.00 0.00 H new ATOM 0 HA GLU A 92 2.014 -1.243 -16.372 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.337 1.269 -15.674 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.118 -0.109 -14.924 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.896 -0.907 -16.918 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.365 -0.643 -17.728 1.00 0.00 H new ATOM 1507 N SER A 93 1.838 -0.407 -13.189 1.00 0.00 N ATOM 1508 CA SER A 93 1.726 -0.944 -11.844 1.00 0.00 C ATOM 1509 C SER A 93 0.612 -1.992 -11.790 1.00 0.00 C ATOM 1510 O SER A 93 0.808 -3.085 -11.262 1.00 0.00 O ATOM 1511 CB SER A 93 1.458 0.167 -10.827 1.00 0.00 C ATOM 1512 OG SER A 93 1.240 1.426 -11.458 1.00 0.00 O ATOM 0 H SER A 93 1.783 0.610 -13.248 1.00 0.00 H new ATOM 0 HA SER A 93 2.674 -1.416 -11.585 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.586 -0.093 -10.227 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.304 0.245 -10.144 1.00 0.00 H new ATOM 0 HG SER A 93 0.289 1.522 -11.676 1.00 0.00 H new ATOM 1518 N LYS A 94 -0.533 -1.620 -12.344 1.00 0.00 N ATOM 1519 CA LYS A 94 -1.679 -2.514 -12.366 1.00 0.00 C ATOM 1520 C LYS A 94 -1.323 -3.772 -13.160 1.00 0.00 C ATOM 1521 O LYS A 94 -1.499 -4.888 -12.674 1.00 0.00 O ATOM 1522 CB LYS A 94 -2.917 -1.785 -12.890 1.00 0.00 C ATOM 1523 CG LYS A 94 -4.117 -2.008 -11.967 1.00 0.00 C ATOM 1524 CD LYS A 94 -5.404 -2.186 -12.774 1.00 0.00 C ATOM 1525 CE LYS A 94 -6.507 -2.809 -11.916 1.00 0.00 C ATOM 1526 NZ LYS A 94 -6.608 -4.262 -12.177 1.00 0.00 N ATOM 0 H LYS A 94 -0.692 -0.712 -12.781 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.932 -2.835 -11.356 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.708 -0.718 -12.970 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.155 -2.139 -13.893 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.946 -2.890 -11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.222 -1.160 -11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.736 -1.220 -13.154 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.210 -2.819 -13.640 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.296 -2.637 -10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.460 -2.327 -12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.361 -4.669 -11.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.831 -4.420 -13.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.703 -4.720 -11.948 1.00 0.00 H new ATOM 1540 N GLU A 95 -0.829 -3.550 -14.370 1.00 0.00 N ATOM 1541 CA GLU A 95 -0.448 -4.652 -15.236 1.00 0.00 C ATOM 1542 C GLU A 95 0.750 -5.400 -14.648 1.00 0.00 C ATOM 1543 O GLU A 95 1.083 -6.496 -15.095 1.00 0.00 O ATOM 1544 CB GLU A 95 -0.143 -4.157 -16.652 1.00 0.00 C ATOM 1545 CG GLU A 95 -1.300 -3.319 -17.200 1.00 0.00 C ATOM 1546 CD GLU A 95 -2.554 -4.175 -17.392 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -2.426 -5.228 -18.052 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -3.611 -3.755 -16.875 1.00 0.00 O ATOM 0 H GLU A 95 -0.684 -2.623 -14.770 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.288 -5.344 -15.301 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.770 -3.562 -16.644 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.037 -5.009 -17.308 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.516 -2.499 -16.515 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.011 -2.872 -18.151 1.00 0.00 H new ATOM 1555 N LEU A 96 1.366 -4.777 -13.653 1.00 0.00 N ATOM 1556 CA LEU A 96 2.519 -5.370 -12.998 1.00 0.00 C ATOM 1557 C LEU A 96 2.053 -6.499 -12.077 1.00 0.00 C ATOM 1558 O LEU A 96 2.849 -7.348 -11.678 1.00 0.00 O ATOM 1559 CB LEU A 96 3.342 -4.295 -12.286 1.00 0.00 C ATOM 1560 CG LEU A 96 4.702 -3.970 -12.906 1.00 0.00 C ATOM 1561 CD1 LEU A 96 4.605 -3.898 -14.432 1.00 0.00 C ATOM 1562 CD2 LEU A 96 5.285 -2.688 -12.308 1.00 0.00 C ATOM 0 H LEU A 96 1.088 -3.867 -13.285 1.00 0.00 H new ATOM 0 HA LEU A 96 3.188 -5.815 -13.734 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.753 -3.379 -12.251 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.501 -4.611 -11.255 1.00 0.00 H new ATOM 0 HG LEU A 96 5.390 -4.780 -12.664 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.585 -3.666 -14.848 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.264 -4.858 -14.821 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.897 -3.119 -14.715 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.252 -2.480 -12.766 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.607 -1.856 -12.499 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.412 -2.813 -11.233 1.00 0.00 H new ATOM 1574 N GLY A 97 0.766 -6.473 -11.767 1.00 0.00 N ATOM 1575 CA GLY A 97 0.184 -7.485 -10.901 1.00 0.00 C ATOM 1576 C GLY A 97 -0.176 -6.895 -9.535 1.00 0.00 C ATOM 1577 O GLY A 97 -0.206 -7.611 -8.535 1.00 0.00 O ATOM 0 H GLY A 97 0.109 -5.767 -12.100 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.709 -7.900 -11.369 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.888 -8.307 -10.772 1.00 0.00 H new ATOM 1581 N ALA A 98 -0.439 -5.597 -9.537 1.00 0.00 N ATOM 1582 CA ALA A 98 -0.795 -4.903 -8.311 1.00 0.00 C ATOM 1583 C ALA A 98 -2.300 -5.041 -8.071 1.00 0.00 C ATOM 1584 O ALA A 98 -3.055 -5.337 -8.996 1.00 0.00 O ATOM 1585 CB ALA A 98 -0.350 -3.442 -8.403 1.00 0.00 C ATOM 0 H ALA A 98 -0.413 -5.007 -10.369 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.283 -5.346 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.617 -2.922 -7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.730 -3.399 -8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.845 -2.963 -9.248 1.00 0.00 H new ATOM 1591 N LEU A 99 -2.691 -4.820 -6.825 1.00 0.00 N ATOM 1592 CA LEU A 99 -4.092 -4.916 -6.452 1.00 0.00 C ATOM 1593 C LEU A 99 -4.897 -3.884 -7.243 1.00 0.00 C ATOM 1594 O LEU A 99 -5.960 -4.198 -7.778 1.00 0.00 O ATOM 1595 CB LEU A 99 -4.252 -4.790 -4.935 1.00 0.00 C ATOM 1596 CG LEU A 99 -3.735 -5.967 -4.106 1.00 0.00 C ATOM 1597 CD1 LEU A 99 -4.564 -7.226 -4.365 1.00 0.00 C ATOM 1598 CD2 LEU A 99 -2.244 -6.200 -4.355 1.00 0.00 C ATOM 0 H LEU A 99 -2.062 -4.575 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.489 -5.897 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.736 -3.887 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.310 -4.651 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.849 -5.718 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.175 -8.048 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.603 -7.039 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.505 -7.490 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.902 -7.042 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.081 -6.418 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.685 -5.306 -4.079 1.00 0.00 H new ATOM 1610 N THR A 100 -4.361 -2.673 -7.294 1.00 0.00 N ATOM 1611 CA THR A 100 -5.017 -1.594 -8.011 1.00 0.00 C ATOM 1612 C THR A 100 -4.137 -0.342 -8.011 1.00 0.00 C ATOM 1613 O THR A 100 -2.961 -0.406 -7.659 1.00 0.00 O ATOM 1614 CB THR A 100 -6.391 -1.371 -7.377 1.00 0.00 C ATOM 1615 OG1 THR A 100 -6.990 -0.365 -8.190 1.00 0.00 O ATOM 1616 CG2 THR A 100 -6.299 -0.725 -5.993 1.00 0.00 C ATOM 0 H THR A 100 -3.479 -2.416 -6.850 1.00 0.00 H new ATOM 0 HA THR A 100 -5.165 -1.849 -9.060 1.00 0.00 H new ATOM 0 HB THR A 100 -6.913 -2.324 -7.299 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.886 -0.161 -7.850 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.302 -0.589 -5.588 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.723 -1.369 -5.328 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.806 0.244 -6.076 1.00 0.00 H new ATOM 1624 N HIS A 101 -4.742 0.768 -8.410 1.00 0.00 N ATOM 1625 CA HIS A 101 -4.029 2.032 -8.460 1.00 0.00 C ATOM 1626 C HIS A 101 -4.973 3.170 -8.070 1.00 0.00 C ATOM 1627 O HIS A 101 -6.029 3.342 -8.677 1.00 0.00 O ATOM 1628 CB HIS A 101 -3.387 2.240 -9.834 1.00 0.00 C ATOM 1629 CG HIS A 101 -4.380 2.350 -10.966 1.00 0.00 C ATOM 1630 ND1 HIS A 101 -4.469 1.413 -11.980 1.00 0.00 N ATOM 1631 CD2 HIS A 101 -5.326 3.296 -11.231 1.00 0.00 C ATOM 1632 CE1 HIS A 101 -5.428 1.789 -12.814 1.00 0.00 C ATOM 1633 NE2 HIS A 101 -5.958 2.956 -12.348 1.00 0.00 N ATOM 0 H HIS A 101 -5.718 0.817 -8.702 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.212 2.021 -7.739 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.781 3.145 -9.807 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.711 1.410 -10.037 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.527 4.173 -10.634 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -5.736 1.264 -13.706 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -6.715 3.481 -12.786 1.00 0.00 H new ATOM 1641 N PHE A 102 -4.559 3.919 -7.058 1.00 0.00 N ATOM 1642 CA PHE A 102 -5.355 5.037 -6.579 1.00 0.00 C ATOM 1643 C PHE A 102 -4.740 6.371 -7.006 1.00 0.00 C ATOM 1644 O PHE A 102 -3.542 6.449 -7.271 1.00 0.00 O ATOM 1645 CB PHE A 102 -5.363 4.957 -5.051 1.00 0.00 C ATOM 1646 CG PHE A 102 -5.975 3.669 -4.498 1.00 0.00 C ATOM 1647 CD1 PHE A 102 -7.040 3.099 -5.122 1.00 0.00 C ATOM 1648 CD2 PHE A 102 -5.452 3.092 -3.382 1.00 0.00 C ATOM 1649 CE1 PHE A 102 -7.607 1.903 -4.609 1.00 0.00 C ATOM 1650 CE2 PHE A 102 -6.020 1.896 -2.869 1.00 0.00 C ATOM 1651 CZ PHE A 102 -7.085 1.326 -3.493 1.00 0.00 C ATOM 0 H PHE A 102 -3.683 3.774 -6.557 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.361 4.983 -6.995 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.339 5.046 -4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.916 5.809 -4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.455 3.556 -6.008 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -4.605 3.544 -2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.453 1.451 -5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.606 1.439 -1.983 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.516 0.416 -3.103 1.00 0.00 H new ATOM 1661 N ALA A 103 -5.588 7.387 -7.058 1.00 0.00 N ATOM 1662 CA ALA A 103 -5.143 8.715 -7.447 1.00 0.00 C ATOM 1663 C ALA A 103 -5.026 9.595 -6.201 1.00 0.00 C ATOM 1664 O ALA A 103 -5.822 9.470 -5.272 1.00 0.00 O ATOM 1665 CB ALA A 103 -6.110 9.294 -8.482 1.00 0.00 C ATOM 0 H ALA A 103 -6.581 7.318 -6.837 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.158 8.669 -7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.777 10.290 -8.774 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.134 8.648 -9.359 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.109 9.358 -8.051 1.00 0.00 H new ATOM 1671 N LYS A 104 -4.027 10.465 -6.222 1.00 0.00 N ATOM 1672 CA LYS A 104 -3.795 11.365 -5.106 1.00 0.00 C ATOM 1673 C LYS A 104 -5.122 11.643 -4.397 1.00 0.00 C ATOM 1674 O LYS A 104 -5.271 11.346 -3.212 1.00 0.00 O ATOM 1675 CB LYS A 104 -3.074 12.629 -5.577 1.00 0.00 C ATOM 1676 CG LYS A 104 -1.668 12.714 -4.979 1.00 0.00 C ATOM 1677 CD LYS A 104 -0.776 13.644 -5.804 1.00 0.00 C ATOM 1678 CE LYS A 104 0.370 14.199 -4.955 1.00 0.00 C ATOM 1679 NZ LYS A 104 0.457 15.669 -5.100 1.00 0.00 N ATOM 0 H LYS A 104 -3.369 10.565 -6.995 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.132 10.902 -4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.011 12.632 -6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.649 13.509 -5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.727 13.077 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.225 11.719 -4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.371 13.102 -6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.371 14.467 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.214 13.939 -3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.311 13.741 -5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.240 16.030 -4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.628 15.910 -6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.435 16.102 -4.787 1.00 0.00 H new ATOM 1693 N PRO A 105 -6.077 12.225 -5.171 1.00 0.00 N ATOM 1694 CA PRO A 105 -7.386 12.546 -4.629 1.00 0.00 C ATOM 1695 C PRO A 105 -8.237 11.285 -4.467 1.00 0.00 C ATOM 1696 O PRO A 105 -8.901 10.854 -5.410 1.00 0.00 O ATOM 1697 CB PRO A 105 -7.983 13.544 -5.609 1.00 0.00 C ATOM 1698 CG PRO A 105 -7.188 13.391 -6.895 1.00 0.00 C ATOM 1699 CD PRO A 105 -5.936 12.591 -6.577 1.00 0.00 C ATOM 0 HA PRO A 105 -7.334 12.973 -3.628 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.041 13.341 -5.777 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.911 14.561 -5.224 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.783 12.883 -7.653 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.924 14.368 -7.299 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.859 11.707 -7.210 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.035 13.182 -6.744 1.00 0.00 H new ATOM 1707 N PHE A 106 -8.191 10.729 -3.266 1.00 0.00 N ATOM 1708 CA PHE A 106 -8.949 9.525 -2.968 1.00 0.00 C ATOM 1709 C PHE A 106 -9.767 9.695 -1.686 1.00 0.00 C ATOM 1710 O PHE A 106 -9.414 10.498 -0.823 1.00 0.00 O ATOM 1711 CB PHE A 106 -7.936 8.397 -2.768 1.00 0.00 C ATOM 1712 CG PHE A 106 -6.560 8.872 -2.298 1.00 0.00 C ATOM 1713 CD1 PHE A 106 -6.455 9.678 -1.207 1.00 0.00 C ATOM 1714 CD2 PHE A 106 -5.442 8.488 -2.970 1.00 0.00 C ATOM 1715 CE1 PHE A 106 -5.177 10.119 -0.771 1.00 0.00 C ATOM 1716 CE2 PHE A 106 -4.165 8.929 -2.534 1.00 0.00 C ATOM 1717 CZ PHE A 106 -4.059 9.735 -1.444 1.00 0.00 C ATOM 0 H PHE A 106 -7.640 11.090 -2.487 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.641 9.310 -3.782 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.334 7.691 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -7.821 7.855 -3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.343 9.982 -0.673 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.526 7.847 -3.836 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.093 10.759 0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -3.277 8.624 -3.068 1.00 0.00 H new ATOM 0 HZ PHE A 106 -3.087 10.070 -1.113 1.00 0.00 H new ATOM 1727 N ASP A 107 -10.843 8.927 -1.602 1.00 0.00 N ATOM 1728 CA ASP A 107 -11.713 8.983 -0.440 1.00 0.00 C ATOM 1729 C ASP A 107 -11.646 7.649 0.306 1.00 0.00 C ATOM 1730 O ASP A 107 -11.673 6.586 -0.313 1.00 0.00 O ATOM 1731 CB ASP A 107 -13.167 9.222 -0.852 1.00 0.00 C ATOM 1732 CG ASP A 107 -13.897 10.302 -0.051 1.00 0.00 C ATOM 1733 OD1 ASP A 107 -13.195 11.052 0.661 1.00 0.00 O ATOM 1734 OD2 ASP A 107 -15.140 10.354 -0.168 1.00 0.00 O ATOM 0 H ASP A 107 -11.132 8.263 -2.320 1.00 0.00 H new ATOM 0 HA ASP A 107 -11.378 9.804 0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.190 9.496 -1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -13.715 8.285 -0.754 1.00 0.00 H new ATOM 1739 N ILE A 108 -11.561 7.748 1.624 1.00 0.00 N ATOM 1740 CA ILE A 108 -11.490 6.562 2.461 1.00 0.00 C ATOM 1741 C ILE A 108 -12.765 5.737 2.278 1.00 0.00 C ATOM 1742 O ILE A 108 -12.716 4.508 2.257 1.00 0.00 O ATOM 1743 CB ILE A 108 -11.211 6.949 3.915 1.00 0.00 C ATOM 1744 CG1 ILE A 108 -9.716 7.177 4.145 1.00 0.00 C ATOM 1745 CG2 ILE A 108 -11.787 5.909 4.878 1.00 0.00 C ATOM 1746 CD1 ILE A 108 -9.099 7.970 2.991 1.00 0.00 C ATOM 0 H ILE A 108 -11.540 8.631 2.134 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.655 5.930 2.157 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.715 7.893 4.120 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.566 7.714 5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.209 6.217 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.575 6.207 5.905 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.865 5.839 4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.331 4.939 4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -8.036 8.118 3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -9.229 7.418 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.592 8.939 2.911 1.00 0.00 H new ATOM 1758 N ASP A 109 -13.877 6.446 2.149 1.00 0.00 N ATOM 1759 CA ASP A 109 -15.163 5.794 1.968 1.00 0.00 C ATOM 1760 C ASP A 109 -15.108 4.903 0.726 1.00 0.00 C ATOM 1761 O ASP A 109 -15.594 3.773 0.747 1.00 0.00 O ATOM 1762 CB ASP A 109 -16.278 6.822 1.763 1.00 0.00 C ATOM 1763 CG ASP A 109 -17.627 6.445 2.377 1.00 0.00 C ATOM 1764 OD1 ASP A 109 -17.819 5.235 2.625 1.00 0.00 O ATOM 1765 OD2 ASP A 109 -18.436 7.375 2.584 1.00 0.00 O ATOM 0 H ASP A 109 -13.914 7.465 2.166 1.00 0.00 H new ATOM 0 HA ASP A 109 -15.373 5.208 2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -15.956 7.773 2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -16.414 6.979 0.693 1.00 0.00 H new ATOM 1770 N GLU A 110 -14.512 5.444 -0.326 1.00 0.00 N ATOM 1771 CA GLU A 110 -14.387 4.711 -1.574 1.00 0.00 C ATOM 1772 C GLU A 110 -13.258 3.683 -1.476 1.00 0.00 C ATOM 1773 O GLU A 110 -13.262 2.681 -2.189 1.00 0.00 O ATOM 1774 CB GLU A 110 -14.158 5.665 -2.749 1.00 0.00 C ATOM 1775 CG GLU A 110 -12.757 6.276 -2.694 1.00 0.00 C ATOM 1776 CD GLU A 110 -12.241 6.591 -4.100 1.00 0.00 C ATOM 1777 OE1 GLU A 110 -11.832 5.627 -4.784 1.00 0.00 O ATOM 1778 OE2 GLU A 110 -12.266 7.788 -4.459 1.00 0.00 O ATOM 0 H GLU A 110 -14.110 6.381 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.321 4.180 -1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -14.288 5.128 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -14.906 6.458 -2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.777 7.188 -2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.074 5.586 -2.198 1.00 0.00 H new ATOM 1785 N ILE A 111 -12.319 3.966 -0.585 1.00 0.00 N ATOM 1786 CA ILE A 111 -11.187 3.078 -0.384 1.00 0.00 C ATOM 1787 C ILE A 111 -11.616 1.903 0.497 1.00 0.00 C ATOM 1788 O ILE A 111 -11.024 0.827 0.434 1.00 0.00 O ATOM 1789 CB ILE A 111 -9.988 3.854 0.167 1.00 0.00 C ATOM 1790 CG1 ILE A 111 -8.961 4.129 -0.933 1.00 0.00 C ATOM 1791 CG2 ILE A 111 -9.368 3.128 1.363 1.00 0.00 C ATOM 1792 CD1 ILE A 111 -9.477 5.182 -1.915 1.00 0.00 C ATOM 0 H ILE A 111 -12.319 4.798 0.006 1.00 0.00 H new ATOM 0 HA ILE A 111 -10.857 2.660 -1.335 1.00 0.00 H new ATOM 0 HB ILE A 111 -10.342 4.821 0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -8.027 4.470 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.740 3.205 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.518 3.700 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.112 3.027 2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.031 2.139 1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -8.727 5.358 -2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -10.398 4.827 -2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -9.674 6.112 -1.381 1.00 0.00 H new ATOM 1804 N ARG A 112 -12.642 2.149 1.298 1.00 0.00 N ATOM 1805 CA ARG A 112 -13.158 1.125 2.190 1.00 0.00 C ATOM 1806 C ARG A 112 -13.808 -0.003 1.385 1.00 0.00 C ATOM 1807 O ARG A 112 -13.945 -1.122 1.877 1.00 0.00 O ATOM 1808 CB ARG A 112 -14.186 1.707 3.162 1.00 0.00 C ATOM 1809 CG ARG A 112 -13.549 2.763 4.067 1.00 0.00 C ATOM 1810 CD ARG A 112 -13.751 2.414 5.543 1.00 0.00 C ATOM 1811 NE ARG A 112 -12.976 1.201 5.887 1.00 0.00 N ATOM 1812 CZ ARG A 112 -13.502 -0.028 5.974 1.00 0.00 C ATOM 1813 NH1 ARG A 112 -14.809 -0.214 5.742 1.00 0.00 N ATOM 1814 NH2 ARG A 112 -12.723 -1.070 6.292 1.00 0.00 N ATOM 0 H ARG A 112 -13.130 3.043 1.348 1.00 0.00 H new ATOM 0 HA ARG A 112 -12.318 0.730 2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -15.010 2.151 2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -14.609 0.908 3.771 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -12.483 2.838 3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.987 3.739 3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.434 3.248 6.169 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -14.809 2.249 5.745 1.00 0.00 H new ATOM 0 HE ARG A 112 -11.978 1.307 6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -15.402 0.580 5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.211 -1.149 5.808 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.728 -0.928 6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -13.124 -2.005 6.358 1.00 0.00 H new ATOM 1828 N ASP A 113 -14.191 0.332 0.162 1.00 0.00 N ATOM 1829 CA ASP A 113 -14.823 -0.638 -0.716 1.00 0.00 C ATOM 1830 C ASP A 113 -13.743 -1.450 -1.433 1.00 0.00 C ATOM 1831 O ASP A 113 -13.822 -2.676 -1.495 1.00 0.00 O ATOM 1832 CB ASP A 113 -15.677 0.056 -1.779 1.00 0.00 C ATOM 1833 CG ASP A 113 -17.141 -0.386 -1.821 1.00 0.00 C ATOM 1834 OD1 ASP A 113 -17.375 -1.598 -1.620 1.00 0.00 O ATOM 1835 OD2 ASP A 113 -17.994 0.497 -2.055 1.00 0.00 O ATOM 0 H ASP A 113 -14.076 1.262 -0.242 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.458 -1.281 -0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.643 1.132 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.230 -0.124 -2.757 1.00 0.00 H new ATOM 1840 N ALA A 114 -12.760 -0.734 -1.958 1.00 0.00 N ATOM 1841 CA ALA A 114 -11.665 -1.373 -2.669 1.00 0.00 C ATOM 1842 C ALA A 114 -10.803 -2.152 -1.674 1.00 0.00 C ATOM 1843 O ALA A 114 -10.102 -3.089 -2.055 1.00 0.00 O ATOM 1844 CB ALA A 114 -10.865 -0.315 -3.432 1.00 0.00 C ATOM 0 H ALA A 114 -12.699 0.283 -1.905 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.046 -2.084 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.044 -0.794 -3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.516 0.189 -4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.464 0.415 -2.729 1.00 0.00 H new ATOM 1850 N VAL A 115 -10.882 -1.736 -0.419 1.00 0.00 N ATOM 1851 CA VAL A 115 -10.117 -2.383 0.633 1.00 0.00 C ATOM 1852 C VAL A 115 -10.675 -3.787 0.874 1.00 0.00 C ATOM 1853 O VAL A 115 -9.929 -4.708 1.204 1.00 0.00 O ATOM 1854 CB VAL A 115 -10.121 -1.514 1.893 1.00 0.00 C ATOM 1855 CG1 VAL A 115 -9.895 -2.363 3.146 1.00 0.00 C ATOM 1856 CG2 VAL A 115 -9.079 -0.398 1.792 1.00 0.00 C ATOM 0 H VAL A 115 -11.464 -0.959 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.075 -2.494 0.334 1.00 0.00 H new ATOM 0 HB VAL A 115 -11.103 -1.049 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -9.902 -1.721 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -10.689 -3.105 3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -8.932 -2.869 3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -9.102 0.205 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -8.088 -0.835 1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -9.304 0.233 0.932 1.00 0.00 H new