USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 857 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 70 GLN : amide:sc= -1.96 K(o=-0.59,f=2) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -154:sc= 1.18 (180deg=-0.00493) USER MOD Set 1.3: A 74 ASN : amide:sc= 0.197 K(o=-0.59,f=-5.7!) USER MOD Set 2.1: A 27 GLN : amide:sc= 0.278 K(o=0.96,f=-1.4) USER MOD Set 2.2: A 43 HIS : no HD1:sc= 0.175 K(o=0.96,f=-2.4) USER MOD Set 2.3: A 47 CYS SG : rot 86:sc= 0.506 USER MOD Set 3.1: A 18 MET CE :methyl 174:sc= -0.0284 (180deg=-0.0802) USER MOD Set 3.2: A 54 HIS : no HD1:sc= -0.832 K(o=-0.87,f=-1.7) USER MOD Set 3.3: A 58 CYS SG : rot 180:sc=-0.00617 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.776) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00891 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 137:sc=-0.000682 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00202) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.00179 USER MOD Single : A 40 GLN : amide:sc= 0.946 K(o=0.95,f=-0.67) USER MOD Single : A 44 THR OG1 : rot 70:sc= 0.929 USER MOD Single : A 46 GLN : amide:sc= -0.0936 K(o=-0.094,f=-1.5) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc=-0.00547 (180deg=-0.162) USER MOD Single : A 56 THR OG1 : rot 85:sc= 0.395 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -91:sc= 0.286 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.775 K(o=0.78,f=-2.6!) USER MOD Single : A 67 GLN : amide:sc= 1.26 K(o=1.3,f=-0.034) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 44:sc= 0.928 USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= -0.021 (180deg=-0.186) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0412 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.15 X(o=-0.15,f=0.024) USER MOD Single : A 92 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0149) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HE2:sc= 0.00449 X(o=0.0045,f=-0.053) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 6 -13.595 -7.385 -3.317 1.00 13.12 N ATOM 60 CA LEU A 6 -13.197 -7.935 -2.032 1.00 4.11 C ATOM 61 C LEU A 6 -14.437 -8.640 -1.501 1.00 45.43 C ATOM 62 O LEU A 6 -15.471 -7.994 -1.298 1.00 60.30 O ATOM 63 CB LEU A 6 -12.753 -6.817 -1.069 1.00 72.24 C ATOM 64 CG LEU A 6 -11.248 -6.501 -1.083 1.00 35.44 C ATOM 65 CD1 LEU A 6 -10.661 -6.351 -2.487 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.994 -5.205 -0.309 1.00 61.12 C ATOM 0 HA LEU A 6 -12.349 -8.614 -2.127 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.301 -5.908 -1.316 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -13.040 -7.097 -0.055 1.00 72.24 H new ATOM 0 HG LEU A 6 -10.753 -7.354 -0.618 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -9.596 -6.129 -2.414 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -10.801 -7.279 -3.041 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -11.166 -5.538 -3.008 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.928 -4.979 -0.318 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -11.542 -4.388 -0.778 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -11.331 -5.324 0.721 1.00 61.12 H new ATOM 78 N ASP A 7 -14.328 -9.953 -1.317 1.00 75.13 N ATOM 79 CA ASP A 7 -15.322 -10.775 -0.632 1.00 1.34 C ATOM 80 C ASP A 7 -15.528 -10.275 0.799 1.00 50.11 C ATOM 81 O ASP A 7 -14.655 -9.598 1.339 1.00 25.20 O ATOM 82 CB ASP A 7 -14.820 -12.219 -0.570 1.00 22.15 C ATOM 83 CG ASP A 7 -15.960 -13.166 -0.249 1.00 51.25 C ATOM 84 OD1 ASP A 7 -16.638 -13.585 -1.211 1.00 12.54 O ATOM 85 OD2 ASP A 7 -16.176 -13.421 0.955 1.00 3.35 O1- ATOM 0 H ASP A 7 -13.526 -10.489 -1.648 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.264 -10.717 -1.178 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -14.369 -12.494 -1.523 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -14.042 -12.307 0.188 1.00 22.15 H new ATOM 90 N GLN A 8 -16.611 -10.679 1.457 1.00 35.03 N ATOM 91 CA GLN A 8 -16.826 -10.455 2.882 1.00 31.00 C ATOM 92 C GLN A 8 -15.667 -11.006 3.722 1.00 15.44 C ATOM 93 O GLN A 8 -15.260 -10.364 4.693 1.00 42.40 O ATOM 94 CB GLN A 8 -18.155 -11.103 3.286 1.00 11.40 C ATOM 95 CG GLN A 8 -19.339 -10.292 2.733 1.00 73.15 C ATOM 96 CD GLN A 8 -20.699 -10.859 3.127 1.00 5.35 C ATOM 97 OE1 GLN A 8 -21.494 -11.237 2.273 1.00 73.41 O ATOM 98 NE2 GLN A 8 -21.024 -10.899 4.407 1.00 23.44 N ATOM 0 H GLN A 8 -17.377 -11.180 1.006 1.00 35.03 H new ATOM 0 HA GLN A 8 -16.867 -9.382 3.072 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -18.198 -12.125 2.908 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -18.222 -11.162 4.372 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -19.265 -9.265 3.090 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -19.269 -10.257 1.646 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -20.358 -10.583 5.112 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -21.941 -11.246 4.690 1.00 23.44 H new ATOM 107 N LYS A 9 -15.104 -12.161 3.350 1.00 54.03 N ATOM 108 CA LYS A 9 -13.860 -12.658 3.941 1.00 31.31 C ATOM 109 C LYS A 9 -12.761 -11.633 3.726 1.00 71.23 C ATOM 110 O LYS A 9 -12.234 -11.058 4.676 1.00 2.24 O ATOM 111 CB LYS A 9 -13.470 -14.014 3.319 1.00 54.31 C ATOM 112 CG LYS A 9 -14.305 -15.123 3.952 1.00 72.00 C ATOM 113 CD LYS A 9 -13.998 -16.545 3.453 1.00 23.34 C ATOM 114 CE LYS A 9 -12.735 -17.201 4.039 1.00 1.24 C ATOM 115 NZ LYS A 9 -11.479 -16.767 3.393 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.496 -12.773 2.635 1.00 54.03 H new ATOM 0 HA LYS A 9 -14.003 -12.810 5.011 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -13.632 -13.992 2.241 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -12.409 -14.207 3.478 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -14.157 -15.095 5.032 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -15.358 -14.911 3.769 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -14.853 -17.182 3.678 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -13.900 -16.516 2.368 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -12.681 -16.975 5.104 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -12.824 -18.283 3.947 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -10.766 -17.519 3.481 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -11.655 -16.573 2.387 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -11.131 -15.903 3.856 1.00 21.22 H new ATOM 129 N THR A 10 -12.421 -11.435 2.464 1.00 74.25 N ATOM 130 CA THR A 10 -11.262 -10.692 2.000 1.00 13.54 C ATOM 131 C THR A 10 -11.226 -9.294 2.623 1.00 52.52 C ATOM 132 O THR A 10 -10.185 -8.864 3.120 1.00 61.23 O ATOM 133 CB THR A 10 -11.278 -10.658 0.462 1.00 0.01 C ATOM 134 OG1 THR A 10 -11.497 -11.959 -0.049 1.00 34.44 O ATOM 135 CG2 THR A 10 -9.967 -10.153 -0.135 1.00 21.15 C ATOM 0 H THR A 10 -12.976 -11.808 1.694 1.00 74.25 H new ATOM 0 HA THR A 10 -10.345 -11.187 2.319 1.00 13.54 H new ATOM 0 HB THR A 10 -12.079 -9.973 0.185 1.00 0.01 H new ATOM 0 HG1 THR A 10 -11.507 -11.928 -1.028 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.039 -10.152 -1.223 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.773 -9.140 0.217 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.151 -10.806 0.174 1.00 21.15 H new ATOM 143 N PHE A 11 -12.359 -8.594 2.605 1.00 2.31 N ATOM 144 CA PHE A 11 -12.523 -7.254 3.132 1.00 54.43 C ATOM 145 C PHE A 11 -12.267 -7.232 4.647 1.00 2.41 C ATOM 146 O PHE A 11 -11.476 -6.415 5.114 1.00 32.02 O ATOM 147 CB PHE A 11 -13.916 -6.733 2.745 1.00 25.32 C ATOM 148 CG PHE A 11 -13.991 -5.252 2.402 1.00 64.11 C ATOM 149 CD1 PHE A 11 -13.231 -4.294 3.103 1.00 71.24 C ATOM 150 CD2 PHE A 11 -14.792 -4.835 1.321 1.00 32.05 C ATOM 151 CE1 PHE A 11 -13.283 -2.937 2.733 1.00 72.32 C ATOM 152 CE2 PHE A 11 -14.844 -3.479 0.956 1.00 20.31 C ATOM 153 CZ PHE A 11 -14.095 -2.527 1.665 1.00 65.24 C ATOM 0 H PHE A 11 -13.220 -8.967 2.204 1.00 2.31 H new ATOM 0 HA PHE A 11 -11.785 -6.581 2.696 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -14.273 -7.305 1.889 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.601 -6.932 3.569 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -12.606 -4.603 3.928 1.00 71.24 H new ATOM 0 HD2 PHE A 11 -15.370 -5.562 0.769 1.00 32.05 H new ATOM 0 HE1 PHE A 11 -12.696 -2.209 3.273 1.00 72.32 H new ATOM 0 HE2 PHE A 11 -15.463 -3.168 0.127 1.00 20.31 H new ATOM 0 HZ PHE A 11 -14.144 -1.484 1.390 1.00 65.24 H new ATOM 163 N SER A 12 -12.879 -8.132 5.420 1.00 52.41 N ATOM 164 CA SER A 12 -12.609 -8.207 6.852 1.00 3.30 C ATOM 165 C SER A 12 -11.128 -8.519 7.117 1.00 51.11 C ATOM 166 O SER A 12 -10.522 -7.904 8.000 1.00 3.04 O ATOM 167 CB SER A 12 -13.534 -9.227 7.526 1.00 34.53 C ATOM 168 OG SER A 12 -13.506 -9.018 8.926 1.00 33.32 O ATOM 0 H SER A 12 -13.559 -8.812 5.080 1.00 52.41 H new ATOM 0 HA SER A 12 -12.818 -7.232 7.293 1.00 3.30 H new ATOM 0 HB2 SER A 12 -14.551 -9.120 7.149 1.00 34.53 H new ATOM 0 HB3 SER A 12 -13.212 -10.241 7.290 1.00 34.53 H new ATOM 0 HG SER A 12 -14.096 -9.665 9.365 1.00 33.32 H new ATOM 174 N ILE A 13 -10.528 -9.429 6.345 1.00 45.32 N ATOM 175 CA ILE A 13 -9.138 -9.838 6.502 1.00 14.50 C ATOM 176 C ILE A 13 -8.212 -8.630 6.314 1.00 34.12 C ATOM 177 O ILE A 13 -7.399 -8.370 7.198 1.00 34.35 O ATOM 178 CB ILE A 13 -8.820 -11.031 5.570 1.00 15.23 C ATOM 179 CG1 ILE A 13 -9.568 -12.303 6.043 1.00 24.34 C ATOM 180 CG2 ILE A 13 -7.304 -11.296 5.513 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.702 -13.379 4.959 1.00 3.22 C ATOM 0 H ILE A 13 -11.006 -9.908 5.582 1.00 45.32 H new ATOM 0 HA ILE A 13 -8.962 -10.199 7.515 1.00 14.50 H new ATOM 0 HB ILE A 13 -9.161 -10.776 4.567 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -9.042 -12.726 6.899 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -10.563 -12.021 6.388 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -7.107 -12.139 4.851 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -6.794 -10.410 5.134 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.937 -11.526 6.513 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -10.236 -14.239 5.364 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -10.255 -12.975 4.111 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -8.710 -13.690 4.630 1.00 3.22 H new ATOM 193 N CYS A 14 -8.318 -7.856 5.227 1.00 42.43 N ATOM 194 CA CYS A 14 -7.498 -6.643 5.114 1.00 71.02 C ATOM 195 C CYS A 14 -7.768 -5.632 6.227 1.00 75.44 C ATOM 196 O CYS A 14 -6.813 -5.036 6.718 1.00 53.24 O ATOM 197 CB CYS A 14 -7.558 -5.975 3.739 1.00 61.45 C ATOM 198 SG CYS A 14 -9.237 -5.877 3.067 1.00 44.54 S ATOM 0 H CYS A 14 -8.940 -8.037 4.439 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.476 -7.002 5.237 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -7.143 -4.970 3.812 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -6.927 -6.530 3.045 1.00 61.45 H new ATOM 0 HG CYS A 14 -9.424 -4.706 2.535 1.00 44.54 H new ATOM 204 N LYS A 15 -9.020 -5.450 6.653 1.00 61.20 N ATOM 205 CA LYS A 15 -9.327 -4.558 7.779 1.00 71.41 C ATOM 206 C LYS A 15 -8.678 -5.037 9.085 1.00 64.32 C ATOM 207 O LYS A 15 -8.403 -4.202 9.939 1.00 53.44 O ATOM 208 CB LYS A 15 -10.849 -4.344 7.917 1.00 2.12 C ATOM 209 CG LYS A 15 -11.385 -3.480 6.759 1.00 72.43 C ATOM 210 CD LYS A 15 -12.915 -3.444 6.628 1.00 54.23 C ATOM 211 CE LYS A 15 -13.613 -2.460 7.577 1.00 22.04 C ATOM 212 NZ LYS A 15 -15.065 -2.364 7.293 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.835 -5.904 6.240 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.885 -3.585 7.563 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -11.358 -5.308 7.924 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -11.068 -3.861 8.869 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -11.023 -2.460 6.889 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -10.964 -3.851 5.824 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -13.173 -3.184 5.601 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -13.306 -4.445 6.811 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -13.464 -2.780 8.608 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -13.157 -1.475 7.480 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -15.504 -1.691 7.953 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -15.207 -2.035 6.317 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -15.504 -3.299 7.410 1.00 53.52 H new ATOM 226 N GLU A 16 -8.389 -6.334 9.237 1.00 32.01 N ATOM 227 CA GLU A 16 -7.559 -6.850 10.324 1.00 34.41 C ATOM 228 C GLU A 16 -6.068 -6.608 10.058 1.00 35.03 C ATOM 229 O GLU A 16 -5.348 -6.217 10.972 1.00 3.44 O ATOM 230 CB GLU A 16 -7.798 -8.364 10.526 1.00 11.31 C ATOM 231 CG GLU A 16 -8.919 -8.681 11.520 1.00 11.31 C ATOM 232 CD GLU A 16 -8.620 -8.115 12.907 1.00 44.31 C ATOM 233 OE1 GLU A 16 -7.569 -8.475 13.487 1.00 55.10 O1- ATOM 234 OE2 GLU A 16 -9.416 -7.271 13.379 1.00 73.22 O ATOM 0 H GLU A 16 -8.728 -7.058 8.603 1.00 32.01 H new ATOM 0 HA GLU A 16 -7.846 -6.312 11.227 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -8.038 -8.817 9.564 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -6.874 -8.826 10.874 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -9.859 -8.268 11.153 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -9.051 -9.761 11.588 1.00 11.31 H new ATOM 241 N ARG A 17 -5.571 -6.907 8.852 1.00 63.14 N ATOM 242 CA ARG A 17 -4.132 -6.882 8.564 1.00 23.14 C ATOM 243 C ARG A 17 -3.588 -5.457 8.569 1.00 53.13 C ATOM 244 O ARG A 17 -2.477 -5.232 9.039 1.00 22.52 O ATOM 245 CB ARG A 17 -3.829 -7.572 7.220 1.00 51.25 C ATOM 246 CG ARG A 17 -4.156 -9.079 7.165 1.00 12.51 C ATOM 247 CD ARG A 17 -3.101 -9.995 7.803 1.00 23.13 C ATOM 248 NE ARG A 17 -3.020 -9.857 9.264 1.00 4.42 N ATOM 249 CZ ARG A 17 -3.765 -10.475 10.187 1.00 41.23 C ATOM 250 NH1 ARG A 17 -4.796 -11.244 9.847 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -3.481 -10.316 11.469 1.00 54.34 N ATOM 0 H ARG A 17 -6.149 -7.171 8.054 1.00 63.14 H new ATOM 0 HA ARG A 17 -3.629 -7.435 9.357 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.392 -7.066 6.435 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -2.772 -7.438 6.991 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -5.111 -9.247 7.664 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -4.285 -9.370 6.122 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -3.331 -11.031 7.555 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -2.126 -9.772 7.369 1.00 23.13 H new ATOM 0 HE ARG A 17 -2.311 -9.213 9.616 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -5.034 -11.373 8.863 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -5.349 -11.705 10.570 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -2.698 -9.725 11.748 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -4.045 -10.784 12.178 1.00 54.34 H new ATOM 265 N MET A 18 -4.345 -4.487 8.061 1.00 71.35 N ATOM 266 CA MET A 18 -3.974 -3.080 8.093 1.00 21.12 C ATOM 267 C MET A 18 -4.251 -2.542 9.497 1.00 10.24 C ATOM 268 O MET A 18 -5.184 -1.766 9.708 1.00 60.01 O ATOM 269 CB MET A 18 -4.720 -2.311 6.990 1.00 35.41 C ATOM 270 CG MET A 18 -3.936 -2.316 5.680 1.00 63.51 C ATOM 271 SD MET A 18 -3.694 -3.914 4.868 1.00 62.02 S ATOM 272 CE MET A 18 -2.037 -3.542 4.249 1.00 72.55 C ATOM 0 H MET A 18 -5.244 -4.661 7.611 1.00 71.35 H new ATOM 0 HA MET A 18 -2.912 -2.948 7.887 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.700 -2.760 6.831 1.00 35.41 H new ATOM 0 HB3 MET A 18 -4.888 -1.283 7.311 1.00 35.41 H new ATOM 0 HG2 MET A 18 -4.445 -1.655 4.979 1.00 63.51 H new ATOM 0 HG3 MET A 18 -2.955 -1.882 5.872 1.00 63.51 H new ATOM 0 HE1 MET A 18 -1.612 -4.433 3.787 1.00 72.55 H new ATOM 0 HE2 MET A 18 -2.096 -2.743 3.510 1.00 72.55 H new ATOM 0 HE3 MET A 18 -1.402 -3.225 5.076 1.00 72.55 H new ATOM 282 N ARG A 19 -3.419 -2.947 10.455 1.00 70.53 N ATOM 283 CA ARG A 19 -3.509 -2.580 11.857 1.00 32.31 C ATOM 284 C ARG A 19 -2.414 -1.576 12.178 1.00 1.35 C ATOM 285 O ARG A 19 -2.749 -0.453 12.543 1.00 33.22 O ATOM 286 CB ARG A 19 -3.462 -3.846 12.740 1.00 55.31 C ATOM 287 CG ARG A 19 -4.827 -4.187 13.341 1.00 70.22 C ATOM 288 CD ARG A 19 -5.129 -3.272 14.528 1.00 11.33 C ATOM 289 NE ARG A 19 -6.572 -3.198 14.768 1.00 22.22 N ATOM 290 CZ ARG A 19 -7.215 -2.174 15.329 1.00 44.22 C ATOM 291 NH1 ARG A 19 -6.543 -1.190 15.925 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -8.535 -2.155 15.246 1.00 44.53 N ATOM 0 H ARG A 19 -2.632 -3.566 10.261 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.462 -2.097 12.071 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.109 -4.688 12.145 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -2.740 -3.699 13.544 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -5.603 -4.078 12.583 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -4.840 -5.228 13.663 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -4.625 -3.646 15.419 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -4.735 -2.274 14.334 1.00 11.33 H new ATOM 0 HE ARG A 19 -7.134 -4.000 14.481 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -5.524 -1.214 15.956 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -7.048 -0.412 16.350 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -9.027 -2.908 14.765 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -9.061 -1.387 15.663 1.00 44.53 H new ATOM 306 N PRO A 20 -1.122 -1.899 11.999 1.00 55.23 N ATOM 307 CA PRO A 20 -0.069 -0.946 12.311 1.00 5.31 C ATOM 308 C PRO A 20 -0.033 0.219 11.317 1.00 5.24 C ATOM 309 O PRO A 20 0.215 1.350 11.725 1.00 22.40 O ATOM 310 CB PRO A 20 1.211 -1.769 12.307 1.00 24.21 C ATOM 311 CG PRO A 20 0.922 -2.901 11.343 1.00 41.52 C ATOM 312 CD PRO A 20 -0.550 -3.181 11.599 1.00 62.13 C ATOM 0 HA PRO A 20 -0.225 -0.461 13.275 1.00 5.31 H new ATOM 0 HB2 PRO A 20 2.065 -1.176 11.980 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.446 -2.144 13.303 1.00 24.21 H new ATOM 0 HG2 PRO A 20 1.106 -2.611 10.309 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.543 -3.774 11.544 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.038 -3.568 10.704 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -0.678 -3.930 12.381 1.00 62.13 H new ATOM 320 N VAL A 21 -0.358 -0.003 10.037 1.00 53.43 N ATOM 321 CA VAL A 21 -0.343 1.034 9.000 1.00 65.33 C ATOM 322 C VAL A 21 -1.699 1.743 8.861 1.00 34.13 C ATOM 323 O VAL A 21 -1.948 2.383 7.846 1.00 65.24 O ATOM 324 CB VAL A 21 0.166 0.434 7.661 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.664 0.128 7.715 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.582 -0.845 7.247 1.00 41.14 C ATOM 0 H VAL A 21 -0.642 -0.919 9.689 1.00 53.43 H new ATOM 0 HA VAL A 21 0.355 1.814 9.303 1.00 65.33 H new ATOM 0 HB VAL A 21 -0.031 1.202 6.913 1.00 4.30 H new ATOM 0 HG11 VAL A 21 1.985 -0.290 6.761 1.00 52.03 H new ATOM 0 HG12 VAL A 21 2.216 1.047 7.912 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.860 -0.591 8.511 1.00 52.03 H new ATOM 0 HG21 VAL A 21 -0.179 -1.213 6.304 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -0.456 -1.606 8.017 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.642 -0.623 7.126 1.00 41.14 H new ATOM 336 N LYS A 22 -2.618 1.629 9.828 1.00 4.01 N ATOM 337 CA LYS A 22 -3.982 2.153 9.675 1.00 52.15 C ATOM 338 C LYS A 22 -3.990 3.667 9.437 1.00 32.24 C ATOM 339 O LYS A 22 -4.594 4.116 8.462 1.00 35.14 O ATOM 340 CB LYS A 22 -4.858 1.739 10.872 1.00 14.31 C ATOM 341 CG LYS A 22 -6.243 1.209 10.480 1.00 51.24 C ATOM 342 CD LYS A 22 -7.267 2.307 10.188 1.00 4.42 C ATOM 343 CE LYS A 22 -8.644 1.687 9.921 1.00 30.13 C ATOM 344 NZ LYS A 22 -8.721 0.976 8.627 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.442 1.178 10.726 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.418 1.707 8.781 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -4.335 0.972 11.443 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -4.983 2.598 11.532 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -6.143 0.576 9.599 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -6.621 0.578 11.285 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -7.326 2.993 11.033 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -6.949 2.891 9.324 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -8.884 0.992 10.725 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -9.399 2.473 9.942 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -9.680 0.594 8.497 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -8.504 1.637 7.854 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -8.034 0.196 8.618 1.00 62.13 H new ATOM 358 N ALA A 23 -3.321 4.450 10.285 1.00 3.10 N ATOM 359 CA ALA A 23 -3.158 5.885 10.081 1.00 60.23 C ATOM 360 C ALA A 23 -2.363 6.179 8.816 1.00 22.25 C ATOM 361 O ALA A 23 -2.735 7.088 8.082 1.00 61.41 O ATOM 362 CB ALA A 23 -2.430 6.525 11.260 1.00 13.54 C ATOM 0 H ALA A 23 -2.876 4.103 11.135 1.00 3.10 H new ATOM 0 HA ALA A 23 -4.160 6.304 9.989 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -2.321 7.595 11.083 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -3.004 6.365 12.173 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -1.444 6.073 11.368 1.00 13.54 H new ATOM 368 N ALA A 24 -1.280 5.432 8.571 1.00 33.30 N ATOM 369 CA ALA A 24 -0.425 5.658 7.411 1.00 54.32 C ATOM 370 C ALA A 24 -1.268 5.570 6.143 1.00 25.33 C ATOM 371 O ALA A 24 -1.223 6.467 5.311 1.00 41.25 O ATOM 372 CB ALA A 24 0.730 4.648 7.385 1.00 1.31 C ATOM 0 H ALA A 24 -0.978 4.662 9.168 1.00 33.30 H new ATOM 0 HA ALA A 24 0.016 6.653 7.472 1.00 54.32 H new ATOM 0 HB1 ALA A 24 1.356 4.834 6.512 1.00 1.31 H new ATOM 0 HB2 ALA A 24 1.328 4.756 8.290 1.00 1.31 H new ATOM 0 HB3 ALA A 24 0.328 3.636 7.334 1.00 1.31 H new ATOM 378 N LEU A 25 -2.073 4.512 6.020 1.00 62.25 N ATOM 379 CA LEU A 25 -2.970 4.329 4.893 1.00 63.42 C ATOM 380 C LEU A 25 -4.024 5.421 4.860 1.00 64.02 C ATOM 381 O LEU A 25 -4.293 5.939 3.784 1.00 34.33 O ATOM 382 CB LEU A 25 -3.519 2.890 4.848 1.00 1.32 C ATOM 383 CG LEU A 25 -4.970 2.647 5.309 1.00 2.24 C ATOM 384 CD1 LEU A 25 -5.975 2.961 4.200 1.00 2.21 C ATOM 385 CD2 LEU A 25 -5.166 1.185 5.722 1.00 60.44 C ATOM 0 H LEU A 25 -2.116 3.759 6.706 1.00 62.25 H new ATOM 0 HA LEU A 25 -2.414 4.443 3.962 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -3.432 2.533 3.822 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -2.867 2.266 5.459 1.00 1.32 H new ATOM 0 HG LEU A 25 -5.145 3.311 6.156 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -6.986 2.778 4.563 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -5.879 4.006 3.907 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -5.777 2.323 3.339 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -6.196 1.033 6.044 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -4.952 0.535 4.873 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -4.490 0.945 6.543 1.00 60.44 H new ATOM 397 N LYS A 26 -4.618 5.797 6.000 1.00 54.00 N ATOM 398 CA LYS A 26 -5.628 6.848 5.977 1.00 74.52 C ATOM 399 C LYS A 26 -5.025 8.155 5.460 1.00 13.22 C ATOM 400 O LYS A 26 -5.727 8.881 4.768 1.00 65.43 O ATOM 401 CB LYS A 26 -6.318 7.027 7.338 1.00 21.25 C ATOM 402 CG LYS A 26 -7.516 7.973 7.144 1.00 45.03 C ATOM 403 CD LYS A 26 -8.471 8.043 8.335 1.00 54.44 C ATOM 404 CE LYS A 26 -9.634 8.944 7.906 1.00 30.32 C ATOM 405 NZ LYS A 26 -10.700 9.006 8.918 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.422 5.401 6.919 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.412 6.541 5.285 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -6.652 6.064 7.725 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -5.621 7.440 8.067 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -7.141 8.975 6.937 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -8.076 7.654 6.265 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -8.829 7.049 8.605 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -7.968 8.450 9.212 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -9.259 9.950 7.715 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -10.049 8.575 6.968 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -11.463 9.627 8.581 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -11.078 8.051 9.083 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -10.313 9.383 9.807 1.00 3.34 H new ATOM 419 N GLN A 27 -3.750 8.439 5.727 1.00 44.31 N ATOM 420 CA GLN A 27 -3.091 9.626 5.200 1.00 45.20 C ATOM 421 C GLN A 27 -2.977 9.647 3.674 1.00 75.11 C ATOM 422 O GLN A 27 -2.637 10.700 3.142 1.00 3.23 O ATOM 423 CB GLN A 27 -1.718 9.856 5.852 1.00 63.33 C ATOM 424 CG GLN A 27 -1.837 10.548 7.230 1.00 62.13 C ATOM 425 CD GLN A 27 -0.704 11.540 7.530 1.00 71.01 C ATOM 426 OE1 GLN A 27 -0.200 12.235 6.653 1.00 33.44 O ATOM 427 NE2 GLN A 27 -0.312 11.687 8.783 1.00 1.20 N ATOM 0 H GLN A 27 -3.152 7.855 6.311 1.00 44.31 H new ATOM 0 HA GLN A 27 -3.746 10.455 5.468 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.208 8.900 5.970 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.102 10.467 5.192 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -2.790 11.075 7.280 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -1.854 9.785 8.008 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -0.726 11.113 9.518 1.00 1.20 H new ATOM 0 HE22 GLN A 27 0.405 12.374 9.016 1.00 1.20 H new ATOM 436 N LEU A 28 -3.251 8.561 2.947 1.00 32.11 N ATOM 437 CA LEU A 28 -3.294 8.617 1.492 1.00 1.43 C ATOM 438 C LEU A 28 -4.620 9.207 0.999 1.00 13.42 C ATOM 439 O LEU A 28 -4.655 9.711 -0.121 1.00 2.11 O ATOM 440 CB LEU A 28 -3.024 7.233 0.885 1.00 33.02 C ATOM 441 CG LEU A 28 -1.541 6.860 0.710 1.00 3.21 C ATOM 442 CD1 LEU A 28 -0.675 7.101 1.954 1.00 34.30 C ATOM 443 CD2 LEU A 28 -1.470 5.397 0.263 1.00 62.12 C ATOM 0 H LEU A 28 -3.444 7.641 3.342 1.00 32.11 H new ATOM 0 HA LEU A 28 -2.501 9.284 1.153 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -3.497 6.481 1.516 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.510 7.183 -0.089 1.00 33.02 H new ATOM 0 HG LEU A 28 -1.120 7.524 -0.045 1.00 3.21 H new ATOM 0 HD11 LEU A 28 0.354 6.811 1.742 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -0.707 8.157 2.221 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -1.056 6.506 2.784 1.00 34.30 H new ATOM 0 HD21 LEU A 28 -0.428 5.107 0.131 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -1.931 4.762 1.020 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -2.001 5.279 -0.681 1.00 62.12 H new ATOM 455 N ASP A 29 -5.676 9.196 1.819 1.00 4.35 N ATOM 456 CA ASP A 29 -6.921 9.931 1.583 1.00 23.20 C ATOM 457 C ASP A 29 -6.885 11.284 2.302 1.00 70.54 C ATOM 458 O ASP A 29 -7.239 12.308 1.716 1.00 54.23 O ATOM 459 CB ASP A 29 -8.132 9.107 2.057 1.00 44.14 C ATOM 460 CG ASP A 29 -9.381 9.977 2.207 1.00 22.52 C ATOM 461 OD1 ASP A 29 -9.986 10.356 1.181 1.00 31.42 O1- ATOM 462 OD2 ASP A 29 -9.727 10.332 3.359 1.00 42.44 O ATOM 0 H ASP A 29 -5.688 8.661 2.688 1.00 4.35 H new ATOM 0 HA ASP A 29 -7.020 10.107 0.512 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -8.329 8.306 1.344 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -7.900 8.635 3.012 1.00 44.14 H new ATOM 467 N ARG A 30 -6.467 11.300 3.570 1.00 1.15 N ATOM 468 CA ARG A 30 -6.521 12.453 4.464 1.00 60.23 C ATOM 469 C ARG A 30 -5.136 12.684 5.065 1.00 21.12 C ATOM 470 O ARG A 30 -4.927 12.385 6.249 1.00 42.23 O ATOM 471 CB ARG A 30 -7.628 12.218 5.505 1.00 12.30 C ATOM 472 CG ARG A 30 -8.033 13.486 6.279 1.00 32.22 C ATOM 473 CD ARG A 30 -9.537 13.407 6.561 1.00 61.42 C ATOM 474 NE ARG A 30 -10.051 14.520 7.362 1.00 74.33 N ATOM 475 CZ ARG A 30 -11.345 14.723 7.631 1.00 54.25 C ATOM 476 NH1 ARG A 30 -12.283 13.911 7.147 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -11.708 15.726 8.411 1.00 42.22 N ATOM 0 H ARG A 30 -6.066 10.476 4.017 1.00 1.15 H new ATOM 0 HA ARG A 30 -6.780 13.369 3.934 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -8.507 11.814 5.002 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -7.292 11.462 6.215 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -7.473 13.558 7.212 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -7.800 14.378 5.698 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -10.073 13.377 5.612 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -9.751 12.471 7.078 1.00 61.42 H new ATOM 0 HE ARG A 30 -9.377 15.185 7.740 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -12.019 13.119 6.561 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -13.265 14.081 7.362 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -11.001 16.345 8.808 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -12.695 15.881 8.616 1.00 42.22 H new ATOM 491 N PRO A 31 -4.171 13.169 4.264 1.00 42.22 N ATOM 492 CA PRO A 31 -2.848 13.508 4.762 1.00 54.35 C ATOM 493 C PRO A 31 -2.951 14.623 5.799 1.00 4.11 C ATOM 494 O PRO A 31 -4.003 15.253 5.952 1.00 74.21 O ATOM 495 CB PRO A 31 -2.017 13.917 3.542 1.00 32.13 C ATOM 496 CG PRO A 31 -3.063 14.337 2.514 1.00 42.02 C ATOM 497 CD PRO A 31 -4.276 13.479 2.846 1.00 44.54 C ATOM 0 HA PRO A 31 -2.370 12.668 5.267 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -1.336 14.735 3.778 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -1.407 13.090 3.178 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -3.293 15.400 2.591 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -2.716 14.159 1.496 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -5.202 14.012 2.631 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -4.286 12.568 2.247 1.00 44.54 H new ATOM 505 N GLU A 32 -1.856 14.854 6.519 1.00 1.13 N ATOM 506 CA GLU A 32 -1.801 15.891 7.533 1.00 30.44 C ATOM 507 C GLU A 32 -2.096 17.254 6.895 1.00 4.33 C ATOM 508 O GLU A 32 -1.615 17.563 5.801 1.00 30.13 O ATOM 509 CB GLU A 32 -0.424 15.867 8.215 1.00 33.11 C ATOM 510 CG GLU A 32 -0.465 16.457 9.630 1.00 14.44 C ATOM 511 CD GLU A 32 -1.259 15.562 10.578 1.00 31.31 C ATOM 512 OE1 GLU A 32 -0.718 14.527 11.036 1.00 41.22 O ATOM 513 OE2 GLU A 32 -2.437 15.878 10.863 1.00 23.13 O1- ATOM 0 H GLU A 32 -0.989 14.328 6.413 1.00 1.13 H new ATOM 0 HA GLU A 32 -2.558 15.711 8.296 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -0.062 14.840 8.262 1.00 33.11 H new ATOM 0 HB3 GLU A 32 0.288 16.428 7.610 1.00 33.11 H new ATOM 0 HG2 GLU A 32 0.551 16.579 10.006 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -0.915 17.449 9.600 1.00 14.44 H new ATOM 520 N LYS A 33 -2.870 18.093 7.580 1.00 52.24 N ATOM 521 CA LYS A 33 -3.279 19.417 7.158 1.00 32.14 C ATOM 522 C LYS A 33 -2.903 20.402 8.263 1.00 2.41 C ATOM 523 O LYS A 33 -3.772 21.017 8.878 1.00 0.40 O ATOM 524 CB LYS A 33 -4.776 19.431 6.767 1.00 62.42 C ATOM 525 CG LYS A 33 -5.047 18.691 5.441 1.00 63.41 C ATOM 526 CD LYS A 33 -6.500 18.854 4.963 1.00 51.51 C ATOM 527 CE LYS A 33 -6.686 18.434 3.491 1.00 43.22 C ATOM 528 NZ LYS A 33 -6.688 16.965 3.266 1.00 43.21 N1+ ATOM 0 H LYS A 33 -3.246 17.846 8.495 1.00 52.24 H new ATOM 0 HA LYS A 33 -2.757 19.726 6.252 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -5.360 18.969 7.563 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -5.116 20.463 6.679 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -4.371 19.068 4.674 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -4.826 17.631 5.568 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -7.156 18.255 5.594 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -6.804 19.894 5.082 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -7.626 18.846 3.124 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -5.889 18.879 2.896 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -6.818 16.769 2.253 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -5.782 16.564 3.583 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -7.465 16.532 3.805 1.00 43.21 H new ATOM 542 N GLY A 34 -1.614 20.463 8.601 1.00 62.23 N ATOM 543 CA GLY A 34 -1.122 21.193 9.767 1.00 43.33 C ATOM 544 C GLY A 34 0.402 21.281 9.833 1.00 1.12 C ATOM 545 O GLY A 34 0.944 21.616 10.881 1.00 35.04 O ATOM 0 H GLY A 34 -0.877 20.002 8.067 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -1.536 22.201 9.756 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -1.489 20.708 10.671 1.00 43.33 H new ATOM 549 N LEU A 35 1.116 20.974 8.747 1.00 20.30 N ATOM 550 CA LEU A 35 2.568 21.061 8.684 1.00 75.01 C ATOM 551 C LEU A 35 2.918 22.066 7.586 1.00 50.32 C ATOM 552 O LEU A 35 2.029 22.680 6.989 1.00 62.14 O ATOM 553 CB LEU A 35 3.143 19.656 8.410 1.00 30.55 C ATOM 554 CG LEU A 35 3.586 18.815 9.627 1.00 75.10 C ATOM 555 CD1 LEU A 35 2.684 18.899 10.861 1.00 74.41 C ATOM 556 CD2 LEU A 35 3.666 17.352 9.188 1.00 10.10 C ATOM 0 H LEU A 35 0.691 20.654 7.877 1.00 20.30 H new ATOM 0 HA LEU A 35 3.003 21.406 9.622 1.00 75.01 H new ATOM 0 HB2 LEU A 35 2.392 19.086 7.864 1.00 30.55 H new ATOM 0 HB3 LEU A 35 4.002 19.768 7.748 1.00 30.55 H new ATOM 0 HG LEU A 35 4.544 19.230 9.940 1.00 75.10 H new ATOM 0 HD11 LEU A 35 3.091 18.270 11.653 1.00 74.41 H new ATOM 0 HD12 LEU A 35 2.636 19.932 11.207 1.00 74.41 H new ATOM 0 HD13 LEU A 35 1.682 18.556 10.603 1.00 74.41 H new ATOM 0 HD21 LEU A 35 3.978 16.736 10.031 1.00 10.10 H new ATOM 0 HD22 LEU A 35 2.687 17.023 8.840 1.00 10.10 H new ATOM 0 HD23 LEU A 35 4.391 17.254 8.380 1.00 10.10 H new ATOM 568 N SER A 36 4.211 22.225 7.326 1.00 13.30 N ATOM 569 CA SER A 36 4.752 23.143 6.348 1.00 21.20 C ATOM 570 C SER A 36 4.539 22.590 4.939 1.00 65.31 C ATOM 571 O SER A 36 3.977 21.512 4.752 1.00 60.15 O ATOM 572 CB SER A 36 6.228 23.440 6.662 1.00 50.44 C ATOM 573 OG SER A 36 6.736 24.520 5.898 1.00 62.23 O ATOM 0 H SER A 36 4.933 21.694 7.813 1.00 13.30 H new ATOM 0 HA SER A 36 4.223 24.095 6.397 1.00 21.20 H new ATOM 0 HB2 SER A 36 6.332 23.668 7.723 1.00 50.44 H new ATOM 0 HB3 SER A 36 6.825 22.549 6.468 1.00 50.44 H new ATOM 0 HG SER A 36 7.675 24.673 6.132 1.00 62.23 H new ATOM 579 N GLU A 37 4.990 23.327 3.930 1.00 43.12 N ATOM 580 CA GLU A 37 5.010 22.901 2.539 1.00 23.33 C ATOM 581 C GLU A 37 5.927 21.684 2.372 1.00 0.42 C ATOM 582 O GLU A 37 5.506 20.647 1.863 1.00 53.05 O ATOM 583 CB GLU A 37 5.478 24.070 1.656 1.00 4.24 C ATOM 584 CG GLU A 37 4.336 24.783 0.921 1.00 51.34 C ATOM 585 CD GLU A 37 3.368 25.506 1.861 1.00 10.03 C ATOM 586 OE1 GLU A 37 2.518 24.822 2.482 1.00 32.52 O1- ATOM 587 OE2 GLU A 37 3.436 26.757 1.952 1.00 20.55 O ATOM 0 H GLU A 37 5.363 24.267 4.064 1.00 43.12 H new ATOM 0 HA GLU A 37 4.006 22.608 2.231 1.00 23.33 H new ATOM 0 HB2 GLU A 37 6.007 24.794 2.277 1.00 4.24 H new ATOM 0 HB3 GLU A 37 6.193 23.696 0.923 1.00 4.24 H new ATOM 0 HG2 GLU A 37 4.758 25.504 0.221 1.00 51.34 H new ATOM 0 HG3 GLU A 37 3.781 24.053 0.331 1.00 51.34 H new ATOM 594 N ARG A 38 7.198 21.793 2.777 1.00 21.15 N ATOM 595 CA ARG A 38 8.182 20.752 2.465 1.00 61.30 C ATOM 596 C ARG A 38 7.966 19.485 3.290 1.00 25.54 C ATOM 597 O ARG A 38 8.343 18.396 2.844 1.00 2.34 O ATOM 598 CB ARG A 38 9.603 21.304 2.656 1.00 12.35 C ATOM 599 CG ARG A 38 10.612 20.442 1.888 1.00 63.40 C ATOM 600 CD ARG A 38 12.001 21.079 1.838 1.00 71.42 C ATOM 601 NE ARG A 38 12.937 20.518 2.831 1.00 64.41 N ATOM 602 CZ ARG A 38 14.158 21.015 3.069 1.00 71.50 C ATOM 603 NH1 ARG A 38 14.537 22.143 2.477 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 15.024 20.380 3.848 1.00 51.23 N ATOM 0 H ARG A 38 7.565 22.579 3.313 1.00 21.15 H new ATOM 0 HA ARG A 38 8.048 20.467 1.421 1.00 61.30 H new ATOM 0 HB2 ARG A 38 9.651 22.334 2.304 1.00 12.35 H new ATOM 0 HB3 ARG A 38 9.857 21.317 3.716 1.00 12.35 H new ATOM 0 HG2 ARG A 38 10.681 19.461 2.359 1.00 63.40 H new ATOM 0 HG3 ARG A 38 10.251 20.283 0.872 1.00 63.40 H new ATOM 0 HD2 ARG A 38 12.418 20.946 0.840 1.00 71.42 H new ATOM 0 HD3 ARG A 38 11.907 22.152 2.004 1.00 71.42 H new ATOM 0 HE ARG A 38 12.637 19.704 3.368 1.00 64.41 H new ATOM 0 HH11 ARG A 38 13.899 22.626 1.845 1.00 14.30 H new ATOM 0 HH12 ARG A 38 15.466 22.525 2.655 1.00 14.30 H new ATOM 0 HH21 ARG A 38 14.766 19.493 4.281 1.00 51.23 H new ATOM 0 HH22 ARG A 38 15.948 20.779 4.014 1.00 51.23 H new ATOM 618 N GLU A 39 7.378 19.627 4.477 1.00 34.32 N ATOM 619 CA GLU A 39 7.089 18.519 5.377 1.00 22.23 C ATOM 620 C GLU A 39 6.056 17.578 4.758 1.00 4.10 C ATOM 621 O GLU A 39 6.107 16.383 5.027 1.00 34.05 O ATOM 622 CB GLU A 39 6.526 19.053 6.699 1.00 71.25 C ATOM 623 CG GLU A 39 7.485 19.914 7.525 1.00 31.04 C ATOM 624 CD GLU A 39 8.763 19.178 7.911 1.00 75.22 C ATOM 625 OE1 GLU A 39 8.766 18.396 8.890 1.00 73.33 O ATOM 626 OE2 GLU A 39 9.796 19.447 7.260 1.00 14.54 O1- ATOM 0 H GLU A 39 7.085 20.533 4.844 1.00 34.32 H new ATOM 0 HA GLU A 39 8.018 17.977 5.554 1.00 22.23 H new ATOM 0 HB2 GLU A 39 5.633 19.640 6.483 1.00 71.25 H new ATOM 0 HB3 GLU A 39 6.210 18.206 7.308 1.00 71.25 H new ATOM 0 HG2 GLU A 39 7.744 20.807 6.957 1.00 31.04 H new ATOM 0 HG3 GLU A 39 6.977 20.248 8.430 1.00 31.04 H new ATOM 633 N GLN A 40 5.134 18.087 3.929 1.00 75.44 N ATOM 634 CA GLN A 40 4.111 17.268 3.280 1.00 33.21 C ATOM 635 C GLN A 40 4.757 16.100 2.551 1.00 45.12 C ATOM 636 O GLN A 40 4.481 14.946 2.854 1.00 73.12 O ATOM 637 CB GLN A 40 3.266 18.098 2.304 1.00 44.22 C ATOM 638 CG GLN A 40 2.298 19.066 2.998 1.00 34.02 C ATOM 639 CD GLN A 40 1.172 18.356 3.739 1.00 3.44 C ATOM 640 OE1 GLN A 40 0.744 17.260 3.370 1.00 24.20 O ATOM 641 NE2 GLN A 40 0.645 18.959 4.788 1.00 2.34 N ATOM 0 H GLN A 40 5.080 19.078 3.692 1.00 75.44 H new ATOM 0 HA GLN A 40 3.448 16.884 4.055 1.00 33.21 H new ATOM 0 HB2 GLN A 40 3.931 18.666 1.654 1.00 44.22 H new ATOM 0 HB3 GLN A 40 2.696 17.423 1.665 1.00 44.22 H new ATOM 0 HG2 GLN A 40 2.855 19.685 3.702 1.00 34.02 H new ATOM 0 HG3 GLN A 40 1.869 19.737 2.254 1.00 34.02 H new ATOM 0 HE21 GLN A 40 1.003 19.866 5.089 1.00 2.34 H new ATOM 0 HE22 GLN A 40 -0.121 18.519 5.298 1.00 2.34 H new ATOM 650 N LEU A 41 5.657 16.405 1.621 1.00 41.12 N ATOM 651 CA LEU A 41 6.239 15.429 0.736 1.00 15.34 C ATOM 652 C LEU A 41 6.969 14.333 1.514 1.00 23.34 C ATOM 653 O LEU A 41 6.922 13.170 1.112 1.00 52.42 O ATOM 654 CB LEU A 41 7.196 16.162 -0.208 1.00 21.03 C ATOM 655 CG LEU A 41 6.620 16.283 -1.631 1.00 0.11 C ATOM 656 CD1 LEU A 41 5.474 17.303 -1.687 1.00 22.31 C ATOM 657 CD2 LEU A 41 7.706 16.682 -2.633 1.00 65.33 C ATOM 0 H LEU A 41 6.000 17.353 1.467 1.00 41.12 H new ATOM 0 HA LEU A 41 5.453 14.934 0.166 1.00 15.34 H new ATOM 0 HB2 LEU A 41 7.403 17.157 0.186 1.00 21.03 H new ATOM 0 HB3 LEU A 41 8.147 15.630 -0.245 1.00 21.03 H new ATOM 0 HG LEU A 41 6.229 15.302 -1.901 1.00 0.11 H new ATOM 0 HD11 LEU A 41 5.090 17.364 -2.705 1.00 22.31 H new ATOM 0 HD12 LEU A 41 4.674 16.989 -1.016 1.00 22.31 H new ATOM 0 HD13 LEU A 41 5.842 18.282 -1.379 1.00 22.31 H new ATOM 0 HD21 LEU A 41 7.271 16.760 -3.629 1.00 65.33 H new ATOM 0 HD22 LEU A 41 8.130 17.644 -2.346 1.00 65.33 H new ATOM 0 HD23 LEU A 41 8.492 15.926 -2.638 1.00 65.33 H new ATOM 669 N GLU A 42 7.660 14.672 2.609 1.00 33.24 N ATOM 670 CA GLU A 42 8.312 13.644 3.410 1.00 33.03 C ATOM 671 C GLU A 42 7.271 12.804 4.157 1.00 40.42 C ATOM 672 O GLU A 42 7.409 11.579 4.250 1.00 21.43 O ATOM 673 CB GLU A 42 9.371 14.232 4.352 1.00 30.51 C ATOM 674 CG GLU A 42 10.145 13.070 5.000 1.00 14.32 C ATOM 675 CD GLU A 42 11.506 13.467 5.552 1.00 3.02 C ATOM 676 OE1 GLU A 42 11.601 13.865 6.726 1.00 2.14 O1- ATOM 677 OE2 GLU A 42 12.522 13.302 4.830 1.00 44.20 O ATOM 0 H GLU A 42 7.778 15.626 2.950 1.00 33.24 H new ATOM 0 HA GLU A 42 8.849 12.980 2.732 1.00 33.03 H new ATOM 0 HB2 GLU A 42 10.052 14.880 3.800 1.00 30.51 H new ATOM 0 HB3 GLU A 42 8.898 14.846 5.118 1.00 30.51 H new ATOM 0 HG2 GLU A 42 9.544 12.652 5.808 1.00 14.32 H new ATOM 0 HG3 GLU A 42 10.280 12.280 4.261 1.00 14.32 H new ATOM 684 N HIS A 43 6.191 13.430 4.619 1.00 44.33 N ATOM 685 CA HIS A 43 5.123 12.687 5.258 1.00 44.01 C ATOM 686 C HIS A 43 4.481 11.692 4.291 1.00 54.41 C ATOM 687 O HIS A 43 4.036 10.622 4.716 1.00 14.03 O ATOM 688 CB HIS A 43 4.044 13.623 5.818 1.00 30.04 C ATOM 689 CG HIS A 43 3.432 13.082 7.094 1.00 15.00 C ATOM 690 ND1 HIS A 43 3.383 11.754 7.461 1.00 21.13 N ATOM 691 CD2 HIS A 43 2.899 13.808 8.126 1.00 25.41 C ATOM 692 CE1 HIS A 43 2.847 11.680 8.688 1.00 13.25 C ATOM 693 NE2 HIS A 43 2.534 12.908 9.139 1.00 71.41 N ATOM 0 H HIS A 43 6.039 14.437 4.561 1.00 44.33 H new ATOM 0 HA HIS A 43 5.574 12.137 6.084 1.00 44.01 H new ATOM 0 HB2 HIS A 43 4.479 14.603 6.012 1.00 30.04 H new ATOM 0 HB3 HIS A 43 3.262 13.763 5.072 1.00 30.04 H new ATOM 0 HD2 HIS A 43 2.781 14.881 8.155 1.00 25.41 H new ATOM 0 HE1 HIS A 43 2.689 10.763 9.237 1.00 13.25 H new ATOM 0 HE2 HIS A 43 2.114 13.139 10.039 1.00 71.41 H new ATOM 701 N THR A 44 4.402 12.041 3.011 1.00 62.13 N ATOM 702 CA THR A 44 3.631 11.305 2.023 1.00 71.14 C ATOM 703 C THR A 44 4.442 10.092 1.605 1.00 32.51 C ATOM 704 O THR A 44 3.899 8.985 1.611 1.00 73.14 O ATOM 705 CB THR A 44 3.330 12.217 0.825 1.00 22.00 C ATOM 706 OG1 THR A 44 2.704 13.399 1.267 1.00 22.10 O ATOM 707 CG2 THR A 44 2.396 11.580 -0.202 1.00 62.22 C ATOM 0 H THR A 44 4.880 12.856 2.628 1.00 62.13 H new ATOM 0 HA THR A 44 2.678 10.974 2.435 1.00 71.14 H new ATOM 0 HB THR A 44 4.293 12.410 0.353 1.00 22.00 H new ATOM 0 HG1 THR A 44 3.350 13.947 1.759 1.00 22.10 H new ATOM 0 HG21 THR A 44 2.226 12.278 -1.021 1.00 62.22 H new ATOM 0 HG22 THR A 44 2.850 10.668 -0.591 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.445 11.338 0.272 1.00 62.22 H new ATOM 715 N ARG A 45 5.739 10.241 1.270 1.00 24.01 N ATOM 716 CA ARG A 45 6.509 9.030 1.024 1.00 72.21 C ATOM 717 C ARG A 45 6.593 8.158 2.263 1.00 64.44 C ATOM 718 O ARG A 45 6.420 6.962 2.104 1.00 71.53 O ATOM 719 CB ARG A 45 7.859 9.177 0.327 1.00 64.22 C ATOM 720 CG ARG A 45 8.814 10.346 0.537 1.00 11.44 C ATOM 721 CD ARG A 45 9.368 10.400 1.952 1.00 54.04 C ATOM 722 NE ARG A 45 10.746 10.911 2.052 1.00 4.24 N ATOM 723 CZ ARG A 45 11.263 12.067 1.622 1.00 42.41 C ATOM 724 NH1 ARG A 45 10.609 12.910 0.836 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 12.490 12.390 1.987 1.00 0.40 N ATOM 0 H ARG A 45 6.238 11.125 1.171 1.00 24.01 H new ATOM 0 HA ARG A 45 5.917 8.521 0.263 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.424 8.277 0.570 1.00 64.22 H new ATOM 0 HB3 ARG A 45 7.652 9.144 -0.743 1.00 64.22 H new ATOM 0 HG2 ARG A 45 9.640 10.267 -0.170 1.00 11.44 H new ATOM 0 HG3 ARG A 45 8.295 11.279 0.318 1.00 11.44 H new ATOM 0 HD2 ARG A 45 8.717 11.028 2.559 1.00 54.04 H new ATOM 0 HD3 ARG A 45 9.334 9.398 2.380 1.00 54.04 H new ATOM 0 HE ARG A 45 11.405 10.289 2.520 1.00 4.24 H new ATOM 0 HH11 ARG A 45 9.662 12.690 0.529 1.00 25.00 H new ATOM 0 HH12 ARG A 45 11.053 13.779 0.538 1.00 25.00 H new ATOM 0 HH21 ARG A 45 13.026 11.762 2.586 1.00 0.40 H new ATOM 0 HH22 ARG A 45 12.902 13.267 1.670 1.00 0.40 H new ATOM 739 N GLN A 46 6.819 8.704 3.454 1.00 54.25 N ATOM 740 CA GLN A 46 6.808 7.887 4.668 1.00 14.35 C ATOM 741 C GLN A 46 5.511 7.099 4.870 1.00 34.32 C ATOM 742 O GLN A 46 5.569 5.950 5.303 1.00 63.33 O ATOM 743 CB GLN A 46 7.130 8.742 5.894 1.00 1.03 C ATOM 744 CG GLN A 46 8.650 8.907 6.012 1.00 71.03 C ATOM 745 CD GLN A 46 9.337 7.655 6.577 1.00 64.21 C ATOM 746 OE1 GLN A 46 8.750 6.585 6.695 1.00 2.51 O ATOM 747 NE2 GLN A 46 10.608 7.749 6.909 1.00 72.22 N ATOM 0 H GLN A 46 7.010 9.694 3.607 1.00 54.25 H new ATOM 0 HA GLN A 46 7.589 7.138 4.539 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.652 9.718 5.807 1.00 1.03 H new ATOM 0 HB3 GLN A 46 6.733 8.272 6.794 1.00 1.03 H new ATOM 0 HG2 GLN A 46 9.065 9.133 5.030 1.00 71.03 H new ATOM 0 HG3 GLN A 46 8.871 9.759 6.655 1.00 71.03 H new ATOM 0 HE21 GLN A 46 11.096 8.639 6.811 1.00 72.22 H new ATOM 0 HE22 GLN A 46 11.104 6.932 7.264 1.00 72.22 H new ATOM 756 N CYS A 47 4.346 7.664 4.550 1.00 43.24 N ATOM 757 CA CYS A 47 3.093 6.929 4.521 1.00 44.42 C ATOM 758 C CYS A 47 3.165 5.820 3.459 1.00 2.22 C ATOM 759 O CYS A 47 3.066 4.630 3.784 1.00 63.24 O ATOM 760 CB CYS A 47 1.979 7.959 4.293 1.00 3.33 C ATOM 761 SG CYS A 47 1.742 8.893 5.829 1.00 22.35 S ATOM 0 H CYS A 47 4.251 8.649 4.303 1.00 43.24 H new ATOM 0 HA CYS A 47 2.884 6.409 5.456 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.245 8.631 3.477 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.054 7.460 4.006 1.00 3.33 H new ATOM 0 HG CYS A 47 2.573 9.893 5.862 1.00 22.35 H new ATOM 767 N LEU A 48 3.386 6.214 2.202 1.00 4.13 N ATOM 768 CA LEU A 48 3.419 5.323 1.042 1.00 3.12 C ATOM 769 C LEU A 48 4.332 4.112 1.269 1.00 50.02 C ATOM 770 O LEU A 48 3.949 2.988 0.940 1.00 33.14 O ATOM 771 CB LEU A 48 3.873 6.137 -0.183 1.00 72.14 C ATOM 772 CG LEU A 48 4.124 5.324 -1.466 1.00 60.44 C ATOM 773 CD1 LEU A 48 2.833 4.722 -2.027 1.00 73.51 C ATOM 774 CD2 LEU A 48 4.759 6.237 -2.523 1.00 44.04 C ATOM 0 H LEU A 48 3.552 7.190 1.958 1.00 4.13 H new ATOM 0 HA LEU A 48 2.419 4.922 0.875 1.00 3.12 H new ATOM 0 HB2 LEU A 48 3.117 6.893 -0.395 1.00 72.14 H new ATOM 0 HB3 LEU A 48 4.790 6.667 0.075 1.00 72.14 H new ATOM 0 HG LEU A 48 4.793 4.500 -1.216 1.00 60.44 H new ATOM 0 HD11 LEU A 48 3.058 4.157 -2.932 1.00 73.51 H new ATOM 0 HD12 LEU A 48 2.389 4.058 -1.286 1.00 73.51 H new ATOM 0 HD13 LEU A 48 2.131 5.522 -2.264 1.00 73.51 H new ATOM 0 HD21 LEU A 48 4.940 5.667 -3.435 1.00 44.04 H new ATOM 0 HD22 LEU A 48 4.085 7.066 -2.740 1.00 44.04 H new ATOM 0 HD23 LEU A 48 5.704 6.628 -2.146 1.00 44.04 H new ATOM 786 N ILE A 49 5.554 4.336 1.757 1.00 4.15 N ATOM 787 CA ILE A 49 6.543 3.284 1.888 1.00 22.35 C ATOM 788 C ILE A 49 6.184 2.326 3.014 1.00 73.31 C ATOM 789 O ILE A 49 6.246 1.125 2.781 1.00 54.42 O ATOM 790 CB ILE A 49 7.997 3.802 1.961 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.312 4.571 3.262 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.337 4.552 0.654 1.00 45.11 C ATOM 793 CD1 ILE A 49 9.630 5.354 3.248 1.00 33.54 C ATOM 0 H ILE A 49 5.877 5.252 2.069 1.00 4.15 H new ATOM 0 HA ILE A 49 6.513 2.711 0.961 1.00 22.35 H new ATOM 0 HB ILE A 49 8.675 2.951 2.027 1.00 2.24 H new ATOM 0 HG12 ILE A 49 7.496 5.266 3.463 1.00 3.42 H new ATOM 0 HG13 ILE A 49 8.337 3.861 4.089 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.362 4.919 0.701 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.233 3.873 -0.193 1.00 45.11 H new ATOM 0 HG23 ILE A 49 7.656 5.394 0.530 1.00 45.11 H new ATOM 0 HD11 ILE A 49 9.763 5.860 4.204 1.00 33.54 H new ATOM 0 HD12 ILE A 49 10.460 4.667 3.083 1.00 33.54 H new ATOM 0 HD13 ILE A 49 9.606 6.093 2.447 1.00 33.54 H new ATOM 805 N LYS A 50 5.735 2.810 4.180 1.00 54.03 N ATOM 806 CA LYS A 50 5.335 1.958 5.283 1.00 10.45 C ATOM 807 C LYS A 50 4.215 1.038 4.838 1.00 65.14 C ATOM 808 O LYS A 50 4.231 -0.145 5.176 1.00 21.01 O ATOM 809 CB LYS A 50 4.876 2.854 6.439 1.00 64.21 C ATOM 810 CG LYS A 50 5.859 2.883 7.615 1.00 11.34 C ATOM 811 CD LYS A 50 7.160 3.632 7.287 1.00 30.02 C ATOM 812 CE LYS A 50 8.315 3.107 8.138 1.00 53.21 C ATOM 813 NZ LYS A 50 8.763 1.772 7.686 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.643 3.807 4.375 1.00 54.03 H new ATOM 0 HA LYS A 50 6.170 1.339 5.612 1.00 10.45 H new ATOM 0 HB2 LYS A 50 4.735 3.869 6.068 1.00 64.21 H new ATOM 0 HB3 LYS A 50 3.906 2.507 6.795 1.00 64.21 H new ATOM 0 HG2 LYS A 50 5.379 3.356 8.472 1.00 11.34 H new ATOM 0 HG3 LYS A 50 6.098 1.861 7.908 1.00 11.34 H new ATOM 0 HD2 LYS A 50 7.397 3.513 6.230 1.00 30.02 H new ATOM 0 HD3 LYS A 50 7.026 4.699 7.465 1.00 30.02 H new ATOM 0 HE2 LYS A 50 9.150 3.807 8.091 1.00 53.21 H new ATOM 0 HE3 LYS A 50 8.003 3.053 9.181 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 9.719 1.585 8.049 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 8.109 1.047 8.044 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 8.776 1.744 6.646 1.00 51.25 H new ATOM 827 N ILE A 51 3.244 1.581 4.101 1.00 24.51 N ATOM 828 CA ILE A 51 2.149 0.792 3.567 1.00 1.44 C ATOM 829 C ILE A 51 2.713 -0.288 2.649 1.00 1.23 C ATOM 830 O ILE A 51 2.391 -1.462 2.826 1.00 42.41 O ATOM 831 CB ILE A 51 1.144 1.697 2.831 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.486 2.687 3.810 1.00 72.01 C ATOM 833 CG2 ILE A 51 0.081 0.857 2.101 1.00 64.43 C ATOM 834 CD1 ILE A 51 -0.016 3.913 3.053 1.00 62.13 C ATOM 0 H ILE A 51 3.200 2.572 3.863 1.00 24.51 H new ATOM 0 HA ILE A 51 1.610 0.308 4.381 1.00 1.44 H new ATOM 0 HB ILE A 51 1.689 2.272 2.082 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.343 2.204 4.327 1.00 72.01 H new ATOM 0 HG13 ILE A 51 1.204 2.989 4.572 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -0.617 1.519 1.589 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.567 0.208 1.372 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.461 0.248 2.824 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.480 4.608 3.753 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.822 4.403 2.557 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -0.749 3.605 2.307 1.00 62.13 H new ATOM 846 N GLY A 52 3.504 0.098 1.649 1.00 60.25 N ATOM 847 CA GLY A 52 3.939 -0.816 0.605 1.00 12.12 C ATOM 848 C GLY A 52 4.841 -1.922 1.151 1.00 41.42 C ATOM 849 O GLY A 52 4.769 -3.057 0.657 1.00 1.12 O ATOM 0 H GLY A 52 3.857 1.049 1.544 1.00 60.25 H new ATOM 0 HA2 GLY A 52 3.067 -1.262 0.128 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.474 -0.259 -0.165 1.00 12.12 H new ATOM 853 N ASP A 53 5.662 -1.591 2.150 1.00 15.43 N ATOM 854 CA ASP A 53 6.493 -2.520 2.901 1.00 23.03 C ATOM 855 C ASP A 53 5.597 -3.487 3.663 1.00 4.51 C ATOM 856 O ASP A 53 5.737 -4.690 3.460 1.00 64.45 O ATOM 857 CB ASP A 53 7.453 -1.788 3.858 1.00 51.04 C ATOM 858 CG ASP A 53 8.833 -1.542 3.242 1.00 41.21 C ATOM 859 OD1 ASP A 53 9.511 -2.523 2.858 1.00 74.02 O1- ATOM 860 OD2 ASP A 53 9.339 -0.396 3.258 1.00 2.34 O ATOM 0 H ASP A 53 5.767 -0.627 2.467 1.00 15.43 H new ATOM 0 HA ASP A 53 7.115 -3.075 2.199 1.00 23.03 H new ATOM 0 HB2 ASP A 53 7.013 -0.833 4.146 1.00 51.04 H new ATOM 0 HB3 ASP A 53 7.567 -2.374 4.770 1.00 51.04 H new ATOM 865 N HIS A 54 4.653 -2.989 4.474 1.00 4.14 N ATOM 866 CA HIS A 54 3.776 -3.833 5.285 1.00 61.14 C ATOM 867 C HIS A 54 2.967 -4.776 4.398 1.00 71.00 C ATOM 868 O HIS A 54 2.835 -5.956 4.719 1.00 13.33 O ATOM 869 CB HIS A 54 2.833 -2.978 6.146 1.00 31.12 C ATOM 870 CG HIS A 54 2.012 -3.799 7.116 1.00 71.42 C ATOM 871 ND1 HIS A 54 0.880 -4.534 6.831 1.00 41.41 N ATOM 872 CD2 HIS A 54 2.303 -4.003 8.438 1.00 41.53 C ATOM 873 CE1 HIS A 54 0.508 -5.170 7.954 1.00 33.05 C ATOM 874 NE2 HIS A 54 1.341 -4.871 8.960 1.00 52.53 N ATOM 0 H HIS A 54 4.479 -1.990 4.583 1.00 4.14 H new ATOM 0 HA HIS A 54 4.404 -4.428 5.949 1.00 61.14 H new ATOM 0 HB2 HIS A 54 3.420 -2.248 6.703 1.00 31.12 H new ATOM 0 HB3 HIS A 54 2.163 -2.418 5.494 1.00 31.12 H new ATOM 0 HD2 HIS A 54 3.130 -3.570 8.981 1.00 41.53 H new ATOM 0 HE1 HIS A 54 -0.343 -5.830 8.035 1.00 33.05 H new ATOM 0 HE2 HIS A 54 1.284 -5.211 9.920 1.00 52.53 H new ATOM 882 N ILE A 55 2.442 -4.270 3.275 1.00 14.30 N ATOM 883 CA ILE A 55 1.781 -5.083 2.268 1.00 11.25 C ATOM 884 C ILE A 55 2.733 -6.208 1.867 1.00 40.53 C ATOM 885 O ILE A 55 2.372 -7.376 1.997 1.00 21.05 O ATOM 886 CB ILE A 55 1.293 -4.227 1.076 1.00 51.10 C ATOM 887 CG1 ILE A 55 0.110 -3.319 1.470 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.865 -5.084 -0.130 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.255 -2.318 0.367 1.00 63.25 C ATOM 0 H ILE A 55 2.469 -3.276 3.046 1.00 14.30 H new ATOM 0 HA ILE A 55 0.874 -5.531 2.673 1.00 11.25 H new ATOM 0 HB ILE A 55 2.149 -3.615 0.791 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.759 -3.937 1.697 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.361 -2.775 2.381 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.531 -4.434 -0.938 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.711 -5.681 -0.470 1.00 13.04 H new ATOM 0 HG23 ILE A 55 0.049 -5.745 0.164 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.093 -1.704 0.696 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.603 -1.679 0.157 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.534 -2.859 -0.537 1.00 63.25 H new ATOM 901 N THR A 56 3.921 -5.878 1.360 1.00 5.22 N ATOM 902 CA THR A 56 4.832 -6.891 0.850 1.00 13.14 C ATOM 903 C THR A 56 5.210 -7.909 1.924 1.00 44.41 C ATOM 904 O THR A 56 5.215 -9.102 1.632 1.00 3.10 O ATOM 905 CB THR A 56 6.043 -6.203 0.221 1.00 23.42 C ATOM 906 OG1 THR A 56 5.568 -5.483 -0.896 1.00 70.12 O ATOM 907 CG2 THR A 56 7.095 -7.185 -0.275 1.00 44.22 C ATOM 0 H THR A 56 4.269 -4.922 1.294 1.00 5.22 H new ATOM 0 HA THR A 56 4.332 -7.471 0.074 1.00 13.14 H new ATOM 0 HB THR A 56 6.513 -5.575 0.978 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.237 -4.608 -0.605 1.00 70.12 H new ATOM 0 HG21 THR A 56 7.929 -6.635 -0.711 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.454 -7.787 0.560 1.00 44.22 H new ATOM 0 HG23 THR A 56 6.656 -7.837 -1.030 1.00 44.22 H new ATOM 915 N GLU A 57 5.500 -7.474 3.144 1.00 33.02 N ATOM 916 CA GLU A 57 5.895 -8.339 4.243 1.00 24.11 C ATOM 917 C GLU A 57 4.749 -9.284 4.616 1.00 32.24 C ATOM 918 O GLU A 57 4.981 -10.486 4.746 1.00 3.40 O ATOM 919 CB GLU A 57 6.387 -7.464 5.404 1.00 61.11 C ATOM 920 CG GLU A 57 7.774 -6.886 5.055 1.00 73.54 C ATOM 921 CD GLU A 57 8.260 -5.761 5.971 1.00 61.31 C ATOM 922 OE1 GLU A 57 7.883 -5.701 7.165 1.00 1.40 O ATOM 923 OE2 GLU A 57 9.100 -4.961 5.505 1.00 10.24 O1- ATOM 0 H GLU A 57 5.466 -6.487 3.400 1.00 33.02 H new ATOM 0 HA GLU A 57 6.722 -8.987 3.955 1.00 24.11 H new ATOM 0 HB2 GLU A 57 5.680 -6.656 5.590 1.00 61.11 H new ATOM 0 HB3 GLU A 57 6.446 -8.053 6.319 1.00 61.11 H new ATOM 0 HG2 GLU A 57 8.504 -7.695 5.081 1.00 73.54 H new ATOM 0 HG3 GLU A 57 7.747 -6.513 4.031 1.00 73.54 H new ATOM 930 N CYS A 58 3.505 -8.798 4.667 1.00 11.34 N ATOM 931 CA CYS A 58 2.342 -9.666 4.827 1.00 0.31 C ATOM 932 C CYS A 58 2.252 -10.699 3.704 1.00 73.23 C ATOM 933 O CYS A 58 1.865 -11.839 3.939 1.00 13.34 O ATOM 934 CB CYS A 58 1.055 -8.835 4.840 1.00 31.54 C ATOM 935 SG CYS A 58 0.471 -8.648 6.545 1.00 43.24 S ATOM 0 H CYS A 58 3.281 -7.805 4.599 1.00 11.34 H new ATOM 0 HA CYS A 58 2.458 -10.190 5.776 1.00 0.31 H new ATOM 0 HB2 CYS A 58 1.238 -7.856 4.398 1.00 31.54 H new ATOM 0 HB3 CYS A 58 0.290 -9.321 4.234 1.00 31.54 H new ATOM 0 HG CYS A 58 -0.620 -7.941 6.555 1.00 43.24 H new ATOM 941 N LEU A 59 2.566 -10.328 2.471 1.00 64.12 N ATOM 942 CA LEU A 59 2.466 -11.238 1.340 1.00 53.20 C ATOM 943 C LEU A 59 3.656 -12.190 1.280 1.00 72.32 C ATOM 944 O LEU A 59 3.548 -13.235 0.643 1.00 72.00 O ATOM 945 CB LEU A 59 2.370 -10.437 0.047 1.00 14.43 C ATOM 946 CG LEU A 59 1.175 -9.474 0.042 1.00 53.24 C ATOM 947 CD1 LEU A 59 1.407 -8.381 -0.983 1.00 71.42 C ATOM 948 CD2 LEU A 59 -0.091 -10.230 -0.290 1.00 3.53 C ATOM 0 H LEU A 59 2.895 -9.394 2.228 1.00 64.12 H new ATOM 0 HA LEU A 59 1.567 -11.841 1.466 1.00 53.20 H new ATOM 0 HB2 LEU A 59 3.290 -9.870 -0.095 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.284 -11.122 -0.796 1.00 14.43 H new ATOM 0 HG LEU A 59 1.071 -9.024 1.029 1.00 53.24 H new ATOM 0 HD11 LEU A 59 0.557 -7.698 -0.985 1.00 71.42 H new ATOM 0 HD12 LEU A 59 2.314 -7.831 -0.730 1.00 71.42 H new ATOM 0 HD13 LEU A 59 1.517 -8.827 -1.972 1.00 71.42 H new ATOM 0 HD21 LEU A 59 -0.936 -9.541 -0.292 1.00 3.53 H new ATOM 0 HD22 LEU A 59 0.006 -10.688 -1.274 1.00 3.53 H new ATOM 0 HD23 LEU A 59 -0.258 -11.006 0.457 1.00 3.53 H new ATOM 960 N LYS A 60 4.780 -11.879 1.930 1.00 42.43 N ATOM 961 CA LYS A 60 5.830 -12.863 2.175 1.00 35.12 C ATOM 962 C LYS A 60 5.341 -13.959 3.121 1.00 40.54 C ATOM 963 O LYS A 60 5.957 -15.027 3.111 1.00 41.41 O ATOM 964 CB LYS A 60 7.114 -12.215 2.738 1.00 54.12 C ATOM 965 CG LYS A 60 8.183 -11.815 1.706 1.00 34.15 C ATOM 966 CD LYS A 60 8.087 -10.352 1.247 1.00 11.14 C ATOM 967 CE LYS A 60 9.468 -9.733 0.990 1.00 52.11 C ATOM 968 NZ LYS A 60 10.142 -9.321 2.242 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.984 -10.949 2.296 1.00 42.43 H new ATOM 0 HA LYS A 60 6.076 -13.308 1.211 1.00 35.12 H new ATOM 0 HB2 LYS A 60 6.830 -11.325 3.300 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.565 -12.909 3.447 1.00 54.12 H new ATOM 0 HG2 LYS A 60 9.170 -11.987 2.134 1.00 34.15 H new ATOM 0 HG3 LYS A 60 8.095 -12.465 0.836 1.00 34.15 H new ATOM 0 HD2 LYS A 60 7.491 -10.297 0.336 1.00 11.14 H new ATOM 0 HD3 LYS A 60 7.565 -9.769 2.005 1.00 11.14 H new ATOM 0 HE2 LYS A 60 10.094 -10.453 0.463 1.00 52.11 H new ATOM 0 HE3 LYS A 60 9.360 -8.867 0.337 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 11.070 -8.909 2.017 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 9.559 -8.614 2.733 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 10.271 -10.150 2.856 1.00 72.35 H new ATOM 982 N GLU A 61 4.273 -13.752 3.896 1.00 54.21 N ATOM 983 CA GLU A 61 3.768 -14.756 4.824 1.00 54.40 C ATOM 984 C GLU A 61 3.355 -16.023 4.072 1.00 62.01 C ATOM 985 O GLU A 61 3.662 -17.135 4.497 1.00 3.42 O ATOM 986 CB GLU A 61 2.561 -14.188 5.585 1.00 64.41 C ATOM 987 CG GLU A 61 2.311 -14.954 6.882 1.00 21.14 C ATOM 988 CD GLU A 61 0.896 -14.798 7.461 1.00 34.24 C ATOM 989 OE1 GLU A 61 0.115 -13.892 7.073 1.00 3.14 O ATOM 990 OE2 GLU A 61 0.527 -15.631 8.322 1.00 63.12 O1- ATOM 0 H GLU A 61 3.738 -12.884 3.895 1.00 54.21 H new ATOM 0 HA GLU A 61 4.559 -15.013 5.529 1.00 54.40 H new ATOM 0 HB2 GLU A 61 2.733 -13.135 5.809 1.00 64.41 H new ATOM 0 HB3 GLU A 61 1.674 -14.239 4.954 1.00 64.41 H new ATOM 0 HG2 GLU A 61 2.501 -16.013 6.704 1.00 21.14 H new ATOM 0 HG3 GLU A 61 3.032 -14.622 7.628 1.00 21.14 H new ATOM 997 N TYR A 62 2.642 -15.857 2.958 1.00 60.23 N ATOM 998 CA TYR A 62 1.996 -16.974 2.288 1.00 13.04 C ATOM 999 C TYR A 62 3.012 -17.783 1.486 1.00 13.02 C ATOM 1000 O TYR A 62 4.038 -17.259 1.043 1.00 51.53 O ATOM 1001 CB TYR A 62 0.888 -16.476 1.357 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.113 -15.537 1.988 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -0.986 -16.055 2.953 1.00 21.24 C ATOM 1004 CD2 TYR A 62 -0.179 -14.176 1.625 1.00 33.43 C ATOM 1005 CE1 TYR A 62 -1.994 -15.256 3.504 1.00 62.34 C ATOM 1006 CE2 TYR A 62 -1.142 -13.350 2.237 1.00 41.42 C ATOM 1007 CZ TYR A 62 -2.062 -13.888 3.168 1.00 11.34 C ATOM 1008 OH TYR A 62 -3.038 -13.116 3.712 1.00 10.34 O ATOM 0 H TYR A 62 2.500 -14.955 2.503 1.00 60.23 H new ATOM 0 HA TYR A 62 1.557 -17.615 3.053 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.349 -15.972 0.508 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.353 -17.339 0.962 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.880 -17.081 3.275 1.00 21.24 H new ATOM 0 HD2 TYR A 62 0.499 -13.772 0.888 1.00 33.43 H new ATOM 0 HE1 TYR A 62 -2.716 -15.685 4.183 1.00 62.34 H new ATOM 0 HE2 TYR A 62 -1.178 -12.298 1.994 1.00 41.42 H new ATOM 0 HH TYR A 62 -3.822 -13.118 3.124 1.00 10.34 H new ATOM 1018 N THR A 63 2.677 -19.040 1.212 1.00 43.11 N ATOM 1019 CA THR A 63 3.524 -19.955 0.456 1.00 35.33 C ATOM 1020 C THR A 63 2.955 -20.180 -0.950 1.00 12.01 C ATOM 1021 O THR A 63 3.698 -20.046 -1.922 1.00 41.13 O ATOM 1022 CB THR A 63 3.859 -21.208 1.288 1.00 2.33 C ATOM 1023 OG1 THR A 63 4.442 -22.236 0.513 1.00 32.45 O ATOM 1024 CG2 THR A 63 2.647 -21.731 2.033 1.00 31.03 C ATOM 0 H THR A 63 1.796 -19.457 1.514 1.00 43.11 H new ATOM 0 HA THR A 63 4.502 -19.512 0.268 1.00 35.33 H new ATOM 0 HB THR A 63 4.601 -20.890 2.020 1.00 2.33 H new ATOM 0 HG1 THR A 63 4.637 -23.007 1.086 1.00 32.45 H new ATOM 0 HG21 THR A 63 2.926 -22.615 2.607 1.00 31.03 H new ATOM 0 HG22 THR A 63 2.276 -20.961 2.709 1.00 31.03 H new ATOM 0 HG23 THR A 63 1.867 -21.994 1.319 1.00 31.03 H new ATOM 1032 N ASN A 64 1.655 -20.485 -1.089 1.00 22.12 N ATOM 1033 CA ASN A 64 1.131 -20.898 -2.391 1.00 20.34 C ATOM 1034 C ASN A 64 1.231 -19.728 -3.368 1.00 62.22 C ATOM 1035 O ASN A 64 0.903 -18.594 -2.992 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.346 -21.345 -2.347 1.00 73.21 C ATOM 1037 CG ASN A 64 -0.638 -22.567 -1.499 1.00 21.22 C ATOM 1038 OD1 ASN A 64 -0.035 -22.750 -0.448 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -1.593 -23.388 -1.903 1.00 53.22 N ATOM 0 H ASN A 64 0.968 -20.454 -0.336 1.00 22.12 H new ATOM 0 HA ASN A 64 1.731 -21.752 -2.705 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -0.947 -20.515 -1.975 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -0.676 -21.545 -3.366 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -1.844 -24.197 -1.335 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -2.079 -23.212 -2.782 1.00 53.22 H new ATOM 1046 N PRO A 65 1.524 -19.994 -4.652 1.00 2.25 N ATOM 1047 CA PRO A 65 1.642 -18.956 -5.664 1.00 15.53 C ATOM 1048 C PRO A 65 0.289 -18.281 -5.899 1.00 14.03 C ATOM 1049 O PRO A 65 0.218 -17.066 -6.091 1.00 64.50 O ATOM 1050 CB PRO A 65 2.202 -19.658 -6.901 1.00 31.12 C ATOM 1051 CG PRO A 65 1.783 -21.114 -6.734 1.00 31.01 C ATOM 1052 CD PRO A 65 1.800 -21.303 -5.223 1.00 54.11 C ATOM 0 HA PRO A 65 2.306 -18.144 -5.368 1.00 15.53 H new ATOM 0 HB2 PRO A 65 1.796 -19.231 -7.818 1.00 31.12 H new ATOM 0 HB3 PRO A 65 3.286 -19.561 -6.956 1.00 31.12 H new ATOM 0 HG2 PRO A 65 0.794 -21.300 -7.153 1.00 31.01 H new ATOM 0 HG3 PRO A 65 2.474 -21.793 -7.234 1.00 31.01 H new ATOM 0 HD2 PRO A 65 1.050 -22.030 -4.912 1.00 54.11 H new ATOM 0 HD3 PRO A 65 2.767 -21.679 -4.888 1.00 54.11 H new ATOM 1060 N GLU A 66 -0.798 -19.047 -5.809 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.142 -18.514 -5.932 1.00 32.01 C ATOM 1062 C GLU A 66 -2.431 -17.470 -4.849 1.00 34.31 C ATOM 1063 O GLU A 66 -3.078 -16.471 -5.149 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.159 -19.664 -5.911 1.00 33.45 C ATOM 1065 CG GLU A 66 -3.328 -20.307 -4.526 1.00 24.12 C ATOM 1066 CD GLU A 66 -3.902 -21.712 -4.642 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -5.010 -21.833 -5.217 1.00 45.54 O1- ATOM 1068 OE2 GLU A 66 -3.205 -22.663 -4.215 1.00 0.13 O ATOM 0 H GLU A 66 -0.765 -20.054 -5.649 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.231 -17.998 -6.888 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -4.125 -19.290 -6.250 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -2.846 -20.428 -6.622 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -2.364 -20.345 -4.019 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -3.986 -19.691 -3.913 1.00 24.12 H new ATOM 1075 N GLN A 67 -1.950 -17.677 -3.617 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.270 -16.846 -2.464 1.00 44.41 C ATOM 1077 C GLN A 67 -1.448 -15.574 -2.503 1.00 71.14 C ATOM 1078 O GLN A 67 -2.022 -14.493 -2.396 1.00 63.51 O ATOM 1079 CB GLN A 67 -2.006 -17.601 -1.153 1.00 53.35 C ATOM 1080 CG GLN A 67 -3.278 -17.750 -0.320 1.00 13.40 C ATOM 1081 CD GLN A 67 -3.093 -18.838 0.722 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -3.416 -19.999 0.488 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -2.551 -18.499 1.875 1.00 3.24 N ATOM 0 H GLN A 67 -1.315 -18.444 -3.396 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.330 -16.594 -2.505 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.600 -18.588 -1.377 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -1.251 -17.070 -0.573 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -3.516 -16.805 0.168 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -4.120 -17.995 -0.968 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -2.290 -17.529 2.050 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -2.393 -19.207 2.592 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.126 -15.690 -2.662 1.00 1.22 N ATOM 1093 CA ILE A 68 0.737 -14.522 -2.810 1.00 12.50 C ATOM 1094 C ILE A 68 0.220 -13.648 -3.964 1.00 71.12 C ATOM 1095 O ILE A 68 0.169 -12.434 -3.802 1.00 55.41 O ATOM 1096 CB ILE A 68 2.238 -14.902 -2.921 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.571 -15.855 -4.075 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.753 -15.557 -1.639 1.00 13.44 C ATOM 1099 CD1 ILE A 68 3.010 -15.116 -5.330 1.00 33.44 C ATOM 0 H ILE A 68 0.367 -16.583 -2.691 1.00 1.22 H new ATOM 0 HA ILE A 68 0.687 -13.922 -1.902 1.00 12.50 H new ATOM 0 HB ILE A 68 2.728 -13.946 -3.108 1.00 33.42 H new ATOM 0 HG12 ILE A 68 3.362 -16.537 -3.763 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.697 -16.465 -4.303 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.807 -15.808 -1.757 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.636 -14.865 -0.805 1.00 13.44 H new ATOM 0 HG23 ILE A 68 2.184 -16.465 -1.440 1.00 13.44 H new ATOM 0 HD11 ILE A 68 3.234 -15.836 -6.117 1.00 33.44 H new ATOM 0 HD12 ILE A 68 2.210 -14.454 -5.661 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.901 -14.527 -5.113 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.239 -14.227 -5.086 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.856 -13.466 -6.179 1.00 12.30 C ATOM 1113 C LYS A 69 -2.177 -12.832 -5.743 1.00 53.31 C ATOM 1114 O LYS A 69 -2.353 -11.621 -5.879 1.00 62.25 O ATOM 1115 CB LYS A 69 -1.085 -14.388 -7.386 1.00 34.45 C ATOM 1116 CG LYS A 69 0.215 -14.783 -8.103 1.00 41.45 C ATOM 1117 CD LYS A 69 0.570 -13.803 -9.220 1.00 30.22 C ATOM 1118 CE LYS A 69 1.833 -14.278 -9.946 1.00 41.34 C ATOM 1119 NZ LYS A 69 1.937 -13.676 -11.288 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.192 -15.231 -5.258 1.00 64.12 H new ATOM 0 HA LYS A 69 -0.177 -12.660 -6.458 1.00 12.30 H new ATOM 0 HB2 LYS A 69 -1.597 -15.291 -7.053 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.746 -13.890 -8.095 1.00 34.45 H new ATOM 0 HG2 LYS A 69 1.031 -14.821 -7.381 1.00 41.45 H new ATOM 0 HG3 LYS A 69 0.110 -15.785 -8.519 1.00 41.45 H new ATOM 0 HD2 LYS A 69 -0.258 -13.725 -9.925 1.00 30.22 H new ATOM 0 HD3 LYS A 69 0.730 -12.808 -8.806 1.00 30.22 H new ATOM 0 HE2 LYS A 69 2.713 -14.016 -9.358 1.00 41.34 H new ATOM 0 HE3 LYS A 69 1.819 -15.364 -10.032 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 2.802 -14.016 -11.755 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 1.108 -13.946 -11.855 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 1.975 -12.640 -11.202 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.112 -13.631 -5.226 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.455 -13.191 -4.867 1.00 72.22 C ATOM 1135 C GLN A 70 -4.368 -12.018 -3.895 1.00 73.44 C ATOM 1136 O GLN A 70 -5.043 -11.005 -4.056 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.218 -14.375 -4.248 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.701 -14.106 -3.954 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.055 -14.105 -2.462 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -7.988 -14.767 -2.016 1.00 54.22 O ATOM 1141 NE2 GLN A 70 -6.370 -13.327 -1.643 1.00 61.54 N ATOM 0 H GLN A 70 -2.950 -14.621 -5.043 1.00 15.42 H new ATOM 0 HA GLN A 70 -4.993 -12.853 -5.753 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.145 -15.228 -4.923 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -4.724 -14.661 -3.319 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -6.976 -13.142 -4.382 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -7.303 -14.862 -4.458 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -5.592 -12.771 -1.999 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -6.619 -13.282 -0.655 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.559 -12.154 -2.847 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.401 -11.114 -1.856 1.00 1.41 C ATOM 1152 C TRP A 71 -2.578 -9.936 -2.386 1.00 43.13 C ATOM 1153 O TRP A 71 -2.867 -8.813 -1.974 1.00 3.23 O ATOM 1154 CB TRP A 71 -2.856 -11.726 -0.570 1.00 34.40 C ATOM 1155 CG TRP A 71 -3.829 -12.582 0.169 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.717 -13.909 0.387 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -5.063 -12.169 0.825 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.784 -14.340 1.150 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.639 -13.307 1.458 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.777 -10.955 0.904 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.845 -13.236 2.170 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -6.988 -10.868 1.609 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.517 -12.007 2.237 1.00 10.30 C ATOM 0 H TRP A 71 -3.000 -12.988 -2.669 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.373 -10.679 -1.623 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -1.976 -12.323 -0.811 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.525 -10.922 0.088 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -2.917 -14.536 0.022 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -4.921 -15.306 1.449 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.385 -10.076 0.413 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.249 -14.111 2.657 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.512 -9.926 1.668 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.450 -11.936 2.777 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.629 -10.129 -3.322 1.00 1.43 N ATOM 1175 CA ARG A 72 -0.866 -9.011 -3.905 1.00 44.24 C ATOM 1176 C ARG A 72 -1.821 -7.962 -4.461 1.00 25.40 C ATOM 1177 O ARG A 72 -1.621 -6.773 -4.227 1.00 72.43 O ATOM 1178 CB ARG A 72 0.103 -9.446 -5.028 1.00 20.22 C ATOM 1179 CG ARG A 72 1.519 -9.791 -4.554 1.00 24.51 C ATOM 1180 CD ARG A 72 2.420 -8.569 -4.320 1.00 4.10 C ATOM 1181 NE ARG A 72 2.990 -8.027 -5.558 1.00 14.41 N ATOM 1182 CZ ARG A 72 4.125 -8.423 -6.141 1.00 35.32 C ATOM 1183 NH1 ARG A 72 4.781 -9.511 -5.737 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 4.586 -7.700 -7.154 1.00 74.24 N ATOM 0 H ARG A 72 -1.374 -11.046 -3.689 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.263 -8.602 -3.094 1.00 44.24 H new ATOM 0 HB2 ARG A 72 -0.317 -10.314 -5.536 1.00 20.22 H new ATOM 0 HB3 ARG A 72 0.166 -8.645 -5.765 1.00 20.22 H new ATOM 0 HG2 ARG A 72 1.451 -10.361 -3.627 1.00 24.51 H new ATOM 0 HG3 ARG A 72 1.990 -10.439 -5.293 1.00 24.51 H new ATOM 0 HD2 ARG A 72 1.843 -7.790 -3.822 1.00 4.10 H new ATOM 0 HD3 ARG A 72 3.230 -8.847 -3.645 1.00 4.10 H new ATOM 0 HE ARG A 72 2.471 -7.278 -6.017 1.00 14.41 H new ATOM 0 HH11 ARG A 72 4.419 -10.067 -4.962 1.00 54.04 H new ATOM 0 HH12 ARG A 72 5.645 -9.788 -6.203 1.00 54.04 H new ATOM 0 HH21 ARG A 72 4.077 -6.872 -7.463 1.00 74.24 H new ATOM 0 HH22 ARG A 72 5.450 -7.972 -7.623 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.822 -8.378 -5.242 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.866 -7.482 -5.721 1.00 2.53 C ATOM 1200 C LYS A 73 -4.760 -7.063 -4.560 1.00 1.23 C ATOM 1201 O LYS A 73 -4.982 -5.872 -4.389 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.646 -8.070 -6.917 1.00 34.23 C ATOM 1203 CG LYS A 73 -5.244 -9.473 -6.708 1.00 63.11 C ATOM 1204 CD LYS A 73 -6.068 -9.966 -7.905 1.00 42.23 C ATOM 1205 CE LYS A 73 -7.524 -9.485 -7.843 1.00 22.32 C ATOM 1206 NZ LYS A 73 -8.332 -10.243 -6.857 1.00 41.12 N1+ ATOM 0 H LYS A 73 -2.927 -9.343 -5.556 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.397 -6.581 -6.116 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -5.456 -7.385 -7.169 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -3.979 -8.106 -7.778 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -4.437 -10.180 -6.516 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -5.876 -9.462 -5.820 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -5.610 -9.614 -8.829 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -6.048 -11.055 -7.934 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -7.543 -8.426 -7.585 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -7.977 -9.581 -8.830 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -9.334 -10.218 -7.136 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -8.006 -11.230 -6.826 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -8.224 -9.813 -5.916 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.295 -8.001 -3.774 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.384 -7.696 -2.847 1.00 31.13 C ATOM 1222 C ASN A 74 -5.986 -6.655 -1.796 1.00 50.53 C ATOM 1223 O ASN A 74 -6.813 -5.803 -1.458 1.00 74.44 O ATOM 1224 CB ASN A 74 -6.942 -8.975 -2.196 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.790 -9.830 -3.134 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -8.259 -9.369 -4.173 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -8.020 -11.088 -2.804 1.00 4.44 N ATOM 0 H ASN A 74 -4.992 -8.975 -3.762 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.183 -7.248 -3.438 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -6.110 -9.575 -1.827 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.544 -8.697 -1.331 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -8.588 -11.679 -3.411 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -7.630 -11.469 -1.942 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.747 -6.680 -1.287 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.253 -5.666 -0.350 1.00 4.53 C ATOM 1236 C LEU A 75 -4.142 -4.313 -1.049 1.00 24.52 C ATOM 1237 O LEU A 75 -4.635 -3.316 -0.527 1.00 41.55 O ATOM 1238 CB LEU A 75 -2.907 -6.075 0.274 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.052 -6.850 1.601 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -3.887 -8.124 1.460 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -1.668 -7.238 2.130 1.00 54.21 C ATOM 0 H LEU A 75 -4.062 -7.401 -1.513 1.00 65.10 H new ATOM 0 HA LEU A 75 -4.972 -5.582 0.465 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.358 -6.690 -0.438 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.310 -5.180 0.449 1.00 10.04 H new ATOM 0 HG LEU A 75 -3.567 -6.184 2.293 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -3.953 -8.625 2.426 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -4.889 -7.866 1.116 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -3.415 -8.790 0.737 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -1.777 -7.785 3.067 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -1.162 -7.868 1.398 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -1.079 -6.337 2.302 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.534 -4.269 -2.236 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.425 -3.038 -3.005 1.00 2.42 C ATOM 1255 C TRP A 76 -4.805 -2.430 -3.323 1.00 30.11 C ATOM 1256 O TRP A 76 -4.957 -1.210 -3.254 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.569 -3.292 -4.260 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.094 -3.052 -4.081 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.102 -3.899 -4.432 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.421 -1.875 -3.531 1.00 74.43 C ATOM 1261 NE1 TRP A 76 1.123 -3.347 -4.115 1.00 61.30 N ATOM 1262 CE2 TRP A 76 0.988 -2.100 -3.549 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.860 -0.643 -3.003 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 1.910 -1.161 -3.059 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 0.053 0.304 -2.502 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.435 0.049 -2.532 1.00 33.11 C ATOM 0 H TRP A 76 -3.108 -5.080 -2.684 1.00 13.51 H new ATOM 0 HA TRP A 76 -2.918 -2.284 -2.402 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -2.718 -4.323 -4.581 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -2.931 -2.652 -5.065 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.246 -4.865 -4.893 1.00 3.24 H new ATOM 0 HE1 TRP A 76 2.018 -3.807 -4.280 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -1.917 -0.422 -2.983 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 2.970 -1.368 -3.088 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.311 1.234 -2.091 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.129 0.783 -2.150 1.00 33.11 H new ATOM 1277 N ILE A 77 -5.813 -3.250 -3.635 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.190 -2.809 -3.868 1.00 32.02 C ATOM 1279 C ILE A 77 -7.773 -2.240 -2.574 1.00 35.11 C ATOM 1280 O ILE A 77 -8.417 -1.194 -2.611 1.00 41.01 O ATOM 1281 CB ILE A 77 -8.057 -3.968 -4.419 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.538 -4.420 -5.798 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.540 -3.562 -4.545 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -8.075 -5.790 -6.237 1.00 32.44 C ATOM 0 H ILE A 77 -5.692 -4.258 -3.734 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.189 -2.022 -4.622 1.00 32.02 H new ATOM 0 HB ILE A 77 -7.983 -4.791 -3.708 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -7.815 -3.675 -6.543 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.449 -4.457 -5.773 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -10.115 -4.402 -4.935 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -9.925 -3.282 -3.564 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.629 -2.715 -5.225 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.668 -6.044 -7.216 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.776 -6.547 -5.512 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -9.163 -5.753 -6.295 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.568 -2.928 -1.449 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.077 -2.478 -0.155 1.00 71.52 C ATOM 1298 C PHE A 78 -7.587 -1.071 0.168 1.00 63.24 C ATOM 1299 O PHE A 78 -8.387 -0.235 0.590 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.674 -3.425 0.981 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.054 -2.879 2.347 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.408 -2.670 2.675 1.00 64.41 C ATOM 1303 CD2 PHE A 78 -7.053 -2.529 3.273 1.00 11.10 C ATOM 1304 CE1 PHE A 78 -9.754 -2.127 3.924 1.00 14.45 C ATOM 1305 CE2 PHE A 78 -7.409 -1.974 4.513 1.00 12.10 C ATOM 1306 CZ PHE A 78 -8.757 -1.783 4.848 1.00 25.55 C ATOM 0 H PHE A 78 -7.049 -3.805 -1.410 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.164 -2.475 -0.234 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.154 -4.392 0.832 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.598 -3.594 0.946 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.181 -2.927 1.966 1.00 64.41 H new ATOM 0 HD2 PHE A 78 -6.013 -2.687 3.030 1.00 11.10 H new ATOM 0 HE1 PHE A 78 -10.794 -1.974 4.174 1.00 14.45 H new ATOM 0 HE2 PHE A 78 -6.638 -1.692 5.215 1.00 12.10 H new ATOM 0 HZ PHE A 78 -9.025 -1.374 5.811 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.287 -0.819 0.004 1.00 42.13 N ATOM 1317 CA VAL A 79 -5.736 0.501 0.266 1.00 72.11 C ATOM 1318 C VAL A 79 -6.362 1.501 -0.709 1.00 63.14 C ATOM 1319 O VAL A 79 -6.846 2.528 -0.249 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.196 0.490 0.231 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.609 1.889 0.473 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -3.666 -0.435 1.338 1.00 22.13 C ATOM 0 H VAL A 79 -5.604 -1.510 -0.307 1.00 42.13 H new ATOM 0 HA VAL A 79 -5.991 0.816 1.278 1.00 72.11 H new ATOM 0 HB VAL A 79 -3.896 0.143 -0.758 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.521 1.838 0.440 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -3.963 2.571 -0.300 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -3.926 2.252 1.451 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.576 -0.444 1.314 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.005 -0.072 2.308 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.040 -1.446 1.178 1.00 22.13 H new ATOM 1332 N SER A 80 -6.432 1.168 -2.004 1.00 34.12 N ATOM 1333 CA SER A 80 -6.921 2.017 -3.091 1.00 61.41 C ATOM 1334 C SER A 80 -8.347 2.577 -2.896 1.00 21.53 C ATOM 1335 O SER A 80 -8.759 3.475 -3.634 1.00 43.34 O ATOM 1336 CB SER A 80 -6.787 1.223 -4.393 1.00 54.34 C ATOM 1337 OG SER A 80 -7.044 2.008 -5.536 1.00 43.03 O ATOM 0 H SER A 80 -6.133 0.251 -2.336 1.00 34.12 H new ATOM 0 HA SER A 80 -6.307 2.918 -3.114 1.00 61.41 H new ATOM 0 HB2 SER A 80 -5.781 0.809 -4.460 1.00 54.34 H new ATOM 0 HB3 SER A 80 -7.478 0.380 -4.373 1.00 54.34 H new ATOM 0 HG SER A 80 -6.601 2.877 -5.442 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.127 2.062 -1.943 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.434 2.633 -1.610 1.00 53.15 C ATOM 1345 C LYS A 81 -10.285 3.892 -0.756 1.00 44.31 C ATOM 1346 O LYS A 81 -11.067 4.827 -0.910 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.262 1.580 -0.878 1.00 41.41 C ATOM 1348 CG LYS A 81 -11.656 0.446 -1.833 1.00 35.41 C ATOM 1349 CD LYS A 81 -12.116 -0.766 -1.026 1.00 70.23 C ATOM 1350 CE LYS A 81 -12.638 -1.889 -1.933 1.00 21.01 C ATOM 1351 NZ LYS A 81 -13.809 -1.482 -2.743 1.00 70.41 N1+ ATOM 0 H LYS A 81 -8.874 1.246 -1.386 1.00 14.35 H new ATOM 0 HA LYS A 81 -10.942 2.923 -2.530 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.691 1.177 -0.042 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -12.158 2.039 -0.460 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -12.454 0.777 -2.498 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -10.808 0.176 -2.463 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -11.286 -1.139 -0.426 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -12.901 -0.464 -0.332 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -11.838 -2.212 -2.599 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -12.909 -2.748 -1.319 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -14.240 -2.323 -3.177 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -14.507 -1.011 -2.132 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -13.503 -0.826 -3.490 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.321 3.892 0.159 1.00 71.53 N ATOM 1366 CA PHE A 82 -8.919 4.999 1.023 1.00 3.11 C ATOM 1367 C PHE A 82 -7.800 5.833 0.392 1.00 61.04 C ATOM 1368 O PHE A 82 -6.804 6.139 1.049 1.00 45.15 O ATOM 1369 CB PHE A 82 -8.455 4.420 2.366 1.00 72.45 C ATOM 1370 CG PHE A 82 -9.566 3.898 3.240 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -10.257 2.725 2.898 1.00 61.03 C ATOM 1372 CD2 PHE A 82 -9.913 4.602 4.402 1.00 43.53 C ATOM 1373 CE1 PHE A 82 -11.293 2.255 3.712 1.00 43.31 C ATOM 1374 CE2 PHE A 82 -10.944 4.127 5.222 1.00 11.10 C ATOM 1375 CZ PHE A 82 -11.645 2.956 4.881 1.00 61.24 C ATOM 0 H PHE A 82 -8.759 3.058 0.329 1.00 71.53 H new ATOM 0 HA PHE A 82 -9.771 5.663 1.167 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.750 3.611 2.174 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.913 5.192 2.912 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -9.988 2.183 2.003 1.00 61.03 H new ATOM 0 HD2 PHE A 82 -9.387 5.508 4.664 1.00 43.53 H new ATOM 0 HE1 PHE A 82 -11.823 1.353 3.443 1.00 43.31 H new ATOM 0 HE2 PHE A 82 -11.203 4.664 6.123 1.00 11.10 H new ATOM 0 HZ PHE A 82 -12.446 2.598 5.510 1.00 61.24 H new ATOM 1385 N THR A 83 -7.937 6.205 -0.875 1.00 61.12 N ATOM 1386 CA THR A 83 -7.061 7.173 -1.510 1.00 12.22 C ATOM 1387 C THR A 83 -7.786 7.687 -2.756 1.00 51.24 C ATOM 1388 O THR A 83 -8.907 7.268 -3.068 1.00 21.11 O ATOM 1389 CB THR A 83 -5.668 6.538 -1.762 1.00 21.14 C ATOM 1390 OG1 THR A 83 -4.823 7.370 -2.529 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.727 5.181 -2.445 1.00 21.44 C ATOM 0 H THR A 83 -8.663 5.840 -1.491 1.00 61.12 H new ATOM 0 HA THR A 83 -6.852 8.038 -0.880 1.00 12.22 H new ATOM 0 HB THR A 83 -5.259 6.410 -0.760 1.00 21.14 H new ATOM 0 HG1 THR A 83 -3.958 6.927 -2.659 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.715 4.801 -2.587 1.00 21.44 H new ATOM 0 HG22 THR A 83 -6.292 4.485 -1.824 1.00 21.44 H new ATOM 0 HG23 THR A 83 -6.216 5.282 -3.414 1.00 21.44 H new ATOM 1399 N GLU A 84 -7.138 8.605 -3.462 1.00 33.14 N ATOM 1400 CA GLU A 84 -7.479 9.042 -4.804 1.00 74.01 C ATOM 1401 C GLU A 84 -6.805 8.140 -5.853 1.00 43.32 C ATOM 1402 O GLU A 84 -7.174 8.162 -7.028 1.00 63.43 O ATOM 1403 CB GLU A 84 -7.021 10.499 -4.968 1.00 14.25 C ATOM 1404 CG GLU A 84 -7.660 11.401 -3.894 1.00 22.52 C ATOM 1405 CD GLU A 84 -7.458 12.889 -4.162 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -7.785 13.325 -5.286 1.00 3.33 O ATOM 1407 OE2 GLU A 84 -7.063 13.617 -3.218 1.00 15.35 O1- ATOM 0 H GLU A 84 -6.319 9.088 -3.092 1.00 33.14 H new ATOM 0 HA GLU A 84 -8.556 8.974 -4.955 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -5.935 10.553 -4.895 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -7.292 10.860 -5.960 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -8.728 11.190 -3.840 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -7.236 11.153 -2.921 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.820 7.330 -5.460 1.00 73.53 N ATOM 1415 CA PHE A 85 -4.966 6.580 -6.367 1.00 60.43 C ATOM 1416 C PHE A 85 -5.480 5.150 -6.562 1.00 31.05 C ATOM 1417 O PHE A 85 -5.679 4.394 -5.607 1.00 71.34 O ATOM 1418 CB PHE A 85 -3.534 6.598 -5.820 1.00 20.01 C ATOM 1419 CG PHE A 85 -2.848 7.943 -5.979 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -3.016 8.966 -5.028 1.00 44.43 C ATOM 1421 CD2 PHE A 85 -2.055 8.191 -7.110 1.00 1.42 C ATOM 1422 CE1 PHE A 85 -2.342 10.188 -5.171 1.00 63.20 C ATOM 1423 CE2 PHE A 85 -1.376 9.415 -7.254 1.00 70.20 C ATOM 1424 CZ PHE A 85 -1.500 10.410 -6.270 1.00 71.12 C ATOM 0 H PHE A 85 -5.593 7.178 -4.477 1.00 73.53 H new ATOM 0 HA PHE A 85 -4.979 7.048 -7.351 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.552 6.330 -4.764 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.947 5.836 -6.332 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -3.669 8.809 -4.182 1.00 44.43 H new ATOM 0 HD2 PHE A 85 -1.965 7.436 -7.877 1.00 1.42 H new ATOM 0 HE1 PHE A 85 -2.472 10.963 -4.430 1.00 63.20 H new ATOM 0 HE2 PHE A 85 -0.758 9.590 -8.123 1.00 70.20 H new ATOM 0 HZ PHE A 85 -0.952 11.337 -6.359 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.642 4.754 -7.824 1.00 63.21 N ATOM 1435 CA ASP A 86 -5.907 3.360 -8.178 1.00 42.44 C ATOM 1436 C ASP A 86 -4.706 2.517 -7.785 1.00 50.23 C ATOM 1437 O ASP A 86 -3.575 2.998 -7.797 1.00 3.02 O ATOM 1438 CB ASP A 86 -6.130 3.145 -9.675 1.00 35.42 C ATOM 1439 CG ASP A 86 -7.602 3.187 -10.061 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -8.375 2.350 -9.537 1.00 23.14 O1- ATOM 1441 OD2 ASP A 86 -7.939 3.967 -10.979 1.00 54.44 O ATOM 0 H ASP A 86 -5.594 5.385 -8.624 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.818 3.076 -7.650 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -5.590 3.911 -10.232 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -5.709 2.183 -9.966 1.00 35.42 H new ATOM 1446 N ALA A 87 -4.933 1.221 -7.591 1.00 34.50 N ATOM 1447 CA ALA A 87 -3.901 0.255 -7.231 1.00 54.34 C ATOM 1448 C ALA A 87 -2.761 0.224 -8.260 1.00 42.15 C ATOM 1449 O ALA A 87 -1.605 -0.004 -7.897 1.00 54.10 O ATOM 1450 CB ALA A 87 -4.541 -1.127 -7.079 1.00 13.05 C ATOM 0 H ALA A 87 -5.860 0.805 -7.682 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.456 0.558 -6.283 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -3.776 -1.855 -6.810 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.300 -1.093 -6.297 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.004 -1.419 -8.022 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.066 0.494 -9.538 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.061 0.659 -10.587 1.00 71.23 C ATOM 1458 C ARG A 88 -1.107 1.801 -10.226 1.00 35.22 C ATOM 1459 O ARG A 88 0.096 1.592 -10.077 1.00 74.21 O ATOM 1460 CB ARG A 88 -2.736 0.783 -11.973 1.00 33.21 C ATOM 1461 CG ARG A 88 -3.249 2.174 -12.386 1.00 42.33 C ATOM 1462 CD ARG A 88 -4.077 2.166 -13.678 1.00 12.42 C ATOM 1463 NE ARG A 88 -5.502 2.407 -13.415 1.00 52.53 N ATOM 1464 CZ ARG A 88 -6.434 1.496 -13.137 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -6.174 0.190 -13.148 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -7.657 1.919 -12.849 1.00 13.42 N ATOM 0 H ARG A 88 -4.024 0.604 -9.870 1.00 54.42 H new ATOM 0 HA ARG A 88 -1.436 -0.231 -10.658 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -2.023 0.449 -12.727 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -3.578 0.091 -12.002 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -3.856 2.583 -11.578 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -2.398 2.842 -12.514 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -3.699 2.930 -14.357 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -3.957 1.206 -14.180 1.00 12.42 H new ATOM 0 HE ARG A 88 -5.812 3.378 -13.449 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -5.236 -0.141 -13.374 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -6.913 -0.479 -12.930 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -7.863 2.918 -12.844 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -8.392 1.246 -12.632 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.649 2.998 -10.001 1.00 15.10 N ATOM 1481 CA LYS A 89 -0.870 4.182 -9.699 1.00 14.14 C ATOM 1482 C LYS A 89 -0.156 3.976 -8.365 1.00 2.34 C ATOM 1483 O LYS A 89 1.018 4.312 -8.255 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.795 5.405 -9.665 1.00 41.42 C ATOM 1485 CG LYS A 89 -2.500 5.731 -10.999 1.00 43.13 C ATOM 1486 CD LYS A 89 -3.877 6.383 -10.796 1.00 64.32 C ATOM 1487 CE LYS A 89 -4.258 7.367 -11.908 1.00 13.54 C ATOM 1488 NZ LYS A 89 -5.623 7.910 -11.727 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.655 3.167 -10.025 1.00 15.10 H new ATOM 0 HA LYS A 89 -0.117 4.355 -10.468 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -2.555 5.245 -8.900 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.212 6.273 -9.358 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -1.869 6.399 -11.585 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -2.618 4.814 -11.577 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -4.635 5.602 -10.738 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -3.885 6.907 -9.840 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -3.541 8.188 -11.926 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -4.193 6.865 -12.873 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -5.839 8.571 -12.501 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -6.311 7.130 -11.735 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -5.679 8.412 -10.818 1.00 75.22 H new ATOM 1502 N LEU A 90 -0.834 3.409 -7.364 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.291 3.195 -6.033 1.00 62.33 C ATOM 1504 C LEU A 90 0.944 2.300 -6.082 1.00 70.22 C ATOM 1505 O LEU A 90 2.001 2.692 -5.584 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.363 2.602 -5.100 1.00 42.24 C ATOM 1507 CG LEU A 90 -1.612 3.479 -3.863 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -2.711 2.837 -3.013 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -0.329 3.773 -3.067 1.00 43.35 C ATOM 0 H LEU A 90 -1.795 3.081 -7.465 1.00 2.34 H new ATOM 0 HA LEU A 90 0.014 4.161 -5.632 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.296 2.483 -5.652 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -1.053 1.607 -4.780 1.00 42.24 H new ATOM 0 HG LEU A 90 -1.954 4.460 -4.192 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -2.896 3.452 -2.132 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -3.626 2.760 -3.600 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.395 1.842 -2.701 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -0.570 4.396 -2.206 1.00 43.35 H new ATOM 0 HD22 LEU A 90 0.110 2.836 -2.725 1.00 43.35 H new ATOM 0 HD23 LEU A 90 0.383 4.296 -3.705 1.00 43.35 H new ATOM 1521 N HIS A 91 0.846 1.096 -6.667 1.00 11.24 N ATOM 1522 CA HIS A 91 1.975 0.175 -6.580 1.00 44.30 C ATOM 1523 C HIS A 91 3.140 0.726 -7.422 1.00 65.40 C ATOM 1524 O HIS A 91 4.302 0.537 -7.052 1.00 62.10 O ATOM 1525 CB HIS A 91 1.612 -1.275 -6.965 1.00 74.21 C ATOM 1526 CG HIS A 91 1.923 -1.687 -8.385 1.00 23.33 C ATOM 1527 ND1 HIS A 91 2.922 -2.559 -8.762 1.00 12.20 N ATOM 1528 CD2 HIS A 91 1.282 -1.284 -9.520 1.00 63.15 C ATOM 1529 CE1 HIS A 91 2.866 -2.695 -10.096 1.00 30.45 C ATOM 1530 NE2 HIS A 91 1.883 -1.931 -10.608 1.00 10.32 N ATOM 0 H HIS A 91 0.034 0.754 -7.181 1.00 11.24 H new ATOM 0 HA HIS A 91 2.282 0.115 -5.536 1.00 44.30 H new ATOM 0 HB2 HIS A 91 2.137 -1.950 -6.290 1.00 74.21 H new ATOM 0 HB3 HIS A 91 0.545 -1.418 -6.793 1.00 74.21 H new ATOM 0 HD2 HIS A 91 0.457 -0.589 -9.571 1.00 63.15 H new ATOM 0 HE1 HIS A 91 3.519 -3.329 -10.678 1.00 30.45 H new ATOM 0 HE2 HIS A 91 1.627 -1.841 -11.591 1.00 10.32 H new ATOM 1538 N LYS A 92 2.844 1.431 -8.526 1.00 0.33 N ATOM 1539 CA LYS A 92 3.826 2.133 -9.353 1.00 62.41 C ATOM 1540 C LYS A 92 4.556 3.184 -8.511 1.00 4.02 C ATOM 1541 O LYS A 92 5.788 3.224 -8.514 1.00 61.24 O ATOM 1542 CB LYS A 92 3.102 2.747 -10.568 1.00 22.30 C ATOM 1543 CG LYS A 92 4.029 3.431 -11.586 1.00 2.40 C ATOM 1544 CD LYS A 92 3.252 4.496 -12.381 1.00 24.33 C ATOM 1545 CE LYS A 92 4.076 5.224 -13.451 1.00 65.23 C ATOM 1546 NZ LYS A 92 5.316 5.826 -12.917 1.00 43.32 N1+ ATOM 0 H LYS A 92 1.890 1.528 -8.873 1.00 0.33 H new ATOM 0 HA LYS A 92 4.583 1.443 -9.726 1.00 62.41 H new ATOM 0 HB2 LYS A 92 2.542 1.962 -11.076 1.00 22.30 H new ATOM 0 HB3 LYS A 92 2.375 3.476 -10.211 1.00 22.30 H new ATOM 0 HG2 LYS A 92 4.870 3.894 -11.069 1.00 2.40 H new ATOM 0 HG3 LYS A 92 4.443 2.688 -12.268 1.00 2.40 H new ATOM 0 HD2 LYS A 92 2.397 4.020 -12.861 1.00 24.33 H new ATOM 0 HD3 LYS A 92 2.855 5.233 -11.683 1.00 24.33 H new ATOM 0 HE2 LYS A 92 4.332 4.522 -14.244 1.00 65.23 H new ATOM 0 HE3 LYS A 92 3.465 6.005 -13.903 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 5.812 6.332 -13.678 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 5.078 6.493 -12.156 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 5.931 5.077 -12.541 1.00 43.32 H new ATOM 1560 N LEU A 93 3.821 4.028 -7.782 1.00 63.33 N ATOM 1561 CA LEU A 93 4.388 5.024 -6.878 1.00 20.11 C ATOM 1562 C LEU A 93 5.314 4.338 -5.880 1.00 43.43 C ATOM 1563 O LEU A 93 6.467 4.753 -5.771 1.00 62.13 O ATOM 1564 CB LEU A 93 3.297 5.817 -6.136 1.00 1.11 C ATOM 1565 CG LEU A 93 2.586 6.889 -6.979 1.00 52.21 C ATOM 1566 CD1 LEU A 93 1.334 7.352 -6.233 1.00 23.33 C ATOM 1567 CD2 LEU A 93 3.477 8.106 -7.256 1.00 24.41 C ATOM 0 H LEU A 93 2.801 4.036 -7.806 1.00 63.33 H new ATOM 0 HA LEU A 93 4.954 5.738 -7.476 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.551 5.116 -5.762 1.00 1.11 H new ATOM 0 HB3 LEU A 93 3.746 6.298 -5.267 1.00 1.11 H new ATOM 0 HG LEU A 93 2.334 6.440 -7.940 1.00 52.21 H new ATOM 0 HD11 LEU A 93 0.821 8.113 -6.821 1.00 23.33 H new ATOM 0 HD12 LEU A 93 0.668 6.503 -6.078 1.00 23.33 H new ATOM 0 HD13 LEU A 93 1.619 7.771 -5.268 1.00 23.33 H new ATOM 0 HD21 LEU A 93 2.926 8.832 -7.854 1.00 24.41 H new ATOM 0 HD22 LEU A 93 3.772 8.564 -6.312 1.00 24.41 H new ATOM 0 HD23 LEU A 93 4.367 7.789 -7.799 1.00 24.41 H new ATOM 1579 N TYR A 94 4.836 3.301 -5.184 1.00 62.42 N ATOM 1580 CA TYR A 94 5.608 2.595 -4.171 1.00 42.52 C ATOM 1581 C TYR A 94 6.926 2.071 -4.740 1.00 73.20 C ATOM 1582 O TYR A 94 7.990 2.461 -4.258 1.00 63.02 O ATOM 1583 CB TYR A 94 4.788 1.463 -3.539 1.00 5.32 C ATOM 1584 CG TYR A 94 5.617 0.657 -2.561 1.00 33.45 C ATOM 1585 CD1 TYR A 94 6.124 1.288 -1.416 1.00 3.30 C ATOM 1586 CD2 TYR A 94 5.965 -0.681 -2.828 1.00 12.54 C ATOM 1587 CE1 TYR A 94 6.998 0.600 -0.560 1.00 21.21 C ATOM 1588 CE2 TYR A 94 6.827 -1.382 -1.965 1.00 73.21 C ATOM 1589 CZ TYR A 94 7.370 -0.730 -0.834 1.00 54.02 C ATOM 1590 OH TYR A 94 8.254 -1.338 -0.001 1.00 52.45 O ATOM 0 H TYR A 94 3.895 2.930 -5.313 1.00 62.42 H new ATOM 0 HA TYR A 94 5.850 3.310 -3.384 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.923 1.882 -3.025 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.407 0.807 -4.322 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.841 2.306 -1.192 1.00 3.30 H new ATOM 0 HD2 TYR A 94 5.567 -1.173 -3.703 1.00 12.54 H new ATOM 0 HE1 TYR A 94 7.389 1.095 0.317 1.00 21.21 H new ATOM 0 HE2 TYR A 94 7.073 -2.414 -2.166 1.00 73.21 H new ATOM 0 HH TYR A 94 8.419 -2.253 -0.310 1.00 52.45 H new ATOM 1600 N LYS A 95 6.878 1.210 -5.765 1.00 41.45 N ATOM 1601 CA LYS A 95 8.093 0.585 -6.290 1.00 54.30 C ATOM 1602 C LYS A 95 9.074 1.635 -6.817 1.00 22.23 C ATOM 1603 O LYS A 95 10.280 1.496 -6.641 1.00 35.23 O ATOM 1604 CB LYS A 95 7.777 -0.528 -7.302 1.00 32.21 C ATOM 1605 CG LYS A 95 7.285 -0.044 -8.673 1.00 61.25 C ATOM 1606 CD LYS A 95 6.509 -1.154 -9.388 1.00 54.15 C ATOM 1607 CE LYS A 95 6.192 -0.755 -10.832 1.00 22.41 C ATOM 1608 NZ LYS A 95 7.297 -1.090 -11.750 1.00 12.11 N1+ ATOM 0 H LYS A 95 6.019 0.934 -6.241 1.00 41.45 H new ATOM 0 HA LYS A 95 8.599 0.086 -5.464 1.00 54.30 H new ATOM 0 HB2 LYS A 95 8.674 -1.130 -7.447 1.00 32.21 H new ATOM 0 HB3 LYS A 95 7.019 -1.183 -6.872 1.00 32.21 H new ATOM 0 HG2 LYS A 95 6.647 0.831 -8.549 1.00 61.25 H new ATOM 0 HG3 LYS A 95 8.134 0.264 -9.282 1.00 61.25 H new ATOM 0 HD2 LYS A 95 7.093 -2.074 -9.380 1.00 54.15 H new ATOM 0 HD3 LYS A 95 5.583 -1.360 -8.851 1.00 54.15 H new ATOM 0 HE2 LYS A 95 5.283 -1.261 -11.158 1.00 22.41 H new ATOM 0 HE3 LYS A 95 5.994 0.316 -10.878 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 7.043 -0.804 -12.717 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 8.158 -0.587 -11.455 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 7.470 -2.115 -11.726 1.00 12.11 H new ATOM 1622 N HIS A 96 8.580 2.722 -7.412 1.00 2.14 N ATOM 1623 CA HIS A 96 9.443 3.800 -7.875 1.00 2.00 C ATOM 1624 C HIS A 96 10.038 4.598 -6.707 1.00 64.43 C ATOM 1625 O HIS A 96 11.137 5.134 -6.848 1.00 42.32 O ATOM 1626 CB HIS A 96 8.618 4.701 -8.788 1.00 24.51 C ATOM 1627 CG HIS A 96 9.379 5.496 -9.815 1.00 14.41 C ATOM 1628 ND1 HIS A 96 10.425 6.366 -9.604 1.00 42.35 N ATOM 1629 CD2 HIS A 96 9.078 5.521 -11.148 1.00 62.44 C ATOM 1630 CE1 HIS A 96 10.746 6.910 -10.792 1.00 43.34 C ATOM 1631 NE2 HIS A 96 9.935 6.437 -11.760 1.00 62.31 N ATOM 0 H HIS A 96 7.586 2.875 -7.583 1.00 2.14 H new ATOM 0 HA HIS A 96 10.289 3.380 -8.420 1.00 2.00 H new ATOM 0 HB2 HIS A 96 7.888 4.082 -9.309 1.00 24.51 H new ATOM 0 HB3 HIS A 96 8.058 5.398 -8.164 1.00 24.51 H new ATOM 0 HD1 HIS A 96 10.875 6.562 -8.710 1.00 42.35 H new ATOM 0 HD2 HIS A 96 8.314 4.937 -11.640 1.00 62.44 H new ATOM 0 HE1 HIS A 96 11.541 7.624 -10.948 1.00 43.34 H new ATOM 1639 N ALA A 97 9.340 4.714 -5.570 1.00 74.32 N ATOM 1640 CA ALA A 97 9.839 5.394 -4.380 1.00 62.11 C ATOM 1641 C ALA A 97 11.002 4.606 -3.775 1.00 21.45 C ATOM 1642 O ALA A 97 12.089 5.166 -3.641 1.00 62.01 O ATOM 1643 CB ALA A 97 8.713 5.612 -3.356 1.00 12.11 C ATOM 0 H ALA A 97 8.401 4.331 -5.455 1.00 74.32 H new ATOM 0 HA ALA A 97 10.207 6.379 -4.668 1.00 62.11 H new ATOM 0 HB1 ALA A 97 9.113 6.121 -2.479 1.00 12.11 H new ATOM 0 HB2 ALA A 97 7.928 6.222 -3.803 1.00 12.11 H new ATOM 0 HB3 ALA A 97 8.299 4.648 -3.059 1.00 12.11 H new ATOM 1649 N ILE A 98 10.785 3.326 -3.446 1.00 4.01 N ATOM 1650 CA ILE A 98 11.834 2.471 -2.894 1.00 65.43 C ATOM 1651 C ILE A 98 13.013 2.384 -3.870 1.00 70.52 C ATOM 1652 O ILE A 98 14.146 2.625 -3.461 1.00 31.14 O ATOM 1653 CB ILE A 98 11.268 1.103 -2.443 1.00 34.23 C ATOM 1654 CG1 ILE A 98 12.329 0.343 -1.622 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.709 0.251 -3.590 1.00 12.03 C ATOM 1656 CD1 ILE A 98 11.847 -1.005 -1.072 1.00 25.45 C ATOM 0 H ILE A 98 9.884 2.861 -3.555 1.00 4.01 H new ATOM 0 HA ILE A 98 12.230 2.919 -1.983 1.00 65.43 H new ATOM 0 HB ILE A 98 10.405 1.309 -1.809 1.00 34.23 H new ATOM 0 HG12 ILE A 98 13.206 0.176 -2.248 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.647 0.970 -0.789 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.332 -0.691 -3.193 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.898 0.789 -4.081 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.500 0.049 -4.312 1.00 12.03 H new ATOM 0 HD11 ILE A 98 12.651 -1.476 -0.507 1.00 25.45 H new ATOM 0 HD12 ILE A 98 10.989 -0.846 -0.418 1.00 25.45 H new ATOM 0 HD13 ILE A 98 11.557 -1.653 -1.899 1.00 25.45 H new ATOM 1668 N LYS A 99 12.759 2.137 -5.164 1.00 65.44 N ATOM 1669 CA LYS A 99 13.835 2.018 -6.147 1.00 2.32 C ATOM 1670 C LYS A 99 14.643 3.308 -6.228 1.00 44.52 C ATOM 1671 O LYS A 99 15.866 3.247 -6.290 1.00 12.43 O ATOM 1672 CB LYS A 99 13.283 1.624 -7.524 1.00 70.12 C ATOM 1673 CG LYS A 99 14.432 1.375 -8.515 1.00 70.31 C ATOM 1674 CD LYS A 99 13.956 1.226 -9.958 1.00 52.12 C ATOM 1675 CE LYS A 99 13.174 -0.067 -10.169 1.00 11.33 C ATOM 1676 NZ LYS A 99 12.807 -0.267 -11.585 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.822 2.017 -5.548 1.00 65.44 H new ATOM 0 HA LYS A 99 14.505 1.223 -5.818 1.00 2.32 H new ATOM 0 HB2 LYS A 99 12.672 0.726 -7.434 1.00 70.12 H new ATOM 0 HB3 LYS A 99 12.634 2.414 -7.902 1.00 70.12 H new ATOM 0 HG2 LYS A 99 15.140 2.201 -8.456 1.00 70.31 H new ATOM 0 HG3 LYS A 99 14.969 0.473 -8.221 1.00 70.31 H new ATOM 0 HD2 LYS A 99 13.329 2.077 -10.223 1.00 52.12 H new ATOM 0 HD3 LYS A 99 14.816 1.243 -10.628 1.00 52.12 H new ATOM 0 HE2 LYS A 99 13.771 -0.912 -9.827 1.00 11.33 H new ATOM 0 HE3 LYS A 99 12.270 -0.048 -9.560 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 12.277 -1.156 -11.684 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 12.215 0.526 -11.906 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 13.670 -0.312 -12.164 1.00 60.11 H new ATOM 1690 N LYS A 100 13.995 4.482 -6.211 1.00 42.13 N ATOM 1691 CA LYS A 100 14.715 5.757 -6.258 1.00 4.50 C ATOM 1692 C LYS A 100 15.763 5.838 -5.151 1.00 64.53 C ATOM 1693 O LYS A 100 16.797 6.464 -5.360 1.00 65.31 O ATOM 1694 CB LYS A 100 13.717 6.927 -6.222 1.00 23.44 C ATOM 1695 CG LYS A 100 14.348 8.319 -6.391 1.00 42.32 C ATOM 1696 CD LYS A 100 14.770 9.039 -5.101 1.00 74.15 C ATOM 1697 CE LYS A 100 13.579 9.430 -4.214 1.00 14.21 C ATOM 1698 NZ LYS A 100 13.972 10.484 -3.259 1.00 55.41 N1+ ATOM 0 H LYS A 100 12.980 4.572 -6.165 1.00 42.13 H new ATOM 0 HA LYS A 100 15.262 5.825 -7.199 1.00 4.50 H new ATOM 0 HB2 LYS A 100 12.978 6.780 -7.010 1.00 23.44 H new ATOM 0 HB3 LYS A 100 13.181 6.899 -5.273 1.00 23.44 H new ATOM 0 HG2 LYS A 100 15.225 8.221 -7.030 1.00 42.32 H new ATOM 0 HG3 LYS A 100 13.638 8.954 -6.920 1.00 42.32 H new ATOM 0 HD2 LYS A 100 15.441 8.394 -4.534 1.00 74.15 H new ATOM 0 HD3 LYS A 100 15.333 9.936 -5.360 1.00 74.15 H new ATOM 0 HE2 LYS A 100 12.755 9.782 -4.835 1.00 14.21 H new ATOM 0 HE3 LYS A 100 13.219 8.556 -3.672 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 13.156 10.737 -2.666 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 14.743 10.135 -2.655 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 14.294 11.323 -3.782 1.00 55.41 H new ATOM 1712 N ARG A 101 15.515 5.219 -3.994 1.00 13.00 N ATOM 1713 CA ARG A 101 16.428 5.204 -2.859 1.00 21.24 C ATOM 1714 C ARG A 101 17.652 4.306 -3.072 1.00 32.44 C ATOM 1715 O ARG A 101 18.471 4.232 -2.159 1.00 41.23 O ATOM 1716 CB ARG A 101 15.647 4.762 -1.598 1.00 43.10 C ATOM 1717 CG ARG A 101 16.001 5.594 -0.361 1.00 13.42 C ATOM 1718 CD ARG A 101 15.391 6.996 -0.485 1.00 31.55 C ATOM 1719 NE ARG A 101 15.793 7.879 0.618 1.00 14.22 N ATOM 1720 CZ ARG A 101 15.040 8.268 1.652 1.00 32.10 C ATOM 1721 NH1 ARG A 101 13.860 7.704 1.872 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 15.469 9.231 2.458 1.00 74.22 N ATOM 0 H ARG A 101 14.652 4.703 -3.821 1.00 13.00 H new ATOM 0 HA ARG A 101 16.819 6.214 -2.738 1.00 21.24 H new ATOM 0 HB2 ARG A 101 14.577 4.843 -1.791 1.00 43.10 H new ATOM 0 HB3 ARG A 101 15.856 3.711 -1.396 1.00 43.10 H new ATOM 0 HG2 ARG A 101 15.627 5.103 0.538 1.00 13.42 H new ATOM 0 HG3 ARG A 101 17.084 5.666 -0.258 1.00 13.42 H new ATOM 0 HD2 ARG A 101 15.696 7.440 -1.432 1.00 31.55 H new ATOM 0 HD3 ARG A 101 14.304 6.916 -0.506 1.00 31.55 H new ATOM 0 HE ARG A 101 16.749 8.233 0.592 1.00 14.22 H new ATOM 0 HH11 ARG A 101 13.522 6.969 1.251 1.00 32.33 H new ATOM 0 HH12 ARG A 101 13.290 8.005 2.663 1.00 32.33 H new ATOM 0 HH21 ARG A 101 16.372 9.673 2.288 1.00 74.22 H new ATOM 0 HH22 ARG A 101 14.895 9.529 3.247 1.00 74.22 H new