USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=18 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= -0.906 K(o=-0.24,f=-2.1) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.666 K(o=-0.24,f=-2.6) USER MOD Single : A 8 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.36) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -170:sc= 0.0646 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 139:sc= -0.286 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 176:sc= 0 (180deg=-0.0473) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0333 K(o=-0.033,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.634 K(o=0.63,f=-2.5!) USER MOD Single : A 44 THR OG1 : rot 78:sc= 0.138 USER MOD Single : A 46 GLN : amide:sc= 0.959 K(o=0.96,f=0) USER MOD Single : A 47 CYS SG : rot -100:sc= -5.44! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -0.0538 F(o=-1,f=-0.054) USER MOD Single : A 56 THR OG1 : rot 90:sc= 1.31 USER MOD Single : A 58 CYS SG : rot 160:sc= -1.01 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 67 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.52) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 172:sc= 0.776 (180deg=0.714) USER MOD Single : A 80 SER OG : rot 57:sc= 0.0859 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 64:sc= 0.48 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.0175 X(o=-0.017,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0119) 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 HD1:sc= -1.02 K(o=-1,f=-1.6!) 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 -13.515 -7.468 -3.130 1.00 13.12 N ATOM 60 CA LEU A 6 -13.159 -8.212 -1.924 1.00 4.11 C ATOM 61 C LEU A 6 -14.422 -8.898 -1.407 1.00 45.43 C ATOM 62 O LEU A 6 -15.521 -8.342 -1.500 1.00 60.30 O ATOM 63 CB LEU A 6 -12.548 -7.277 -0.857 1.00 72.24 C ATOM 64 CG LEU A 6 -11.329 -6.468 -1.351 1.00 35.44 C ATOM 65 CD1 LEU A 6 -10.884 -5.479 -0.272 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.145 -7.363 -1.722 1.00 61.12 C ATOM 0 HA LEU A 6 -12.400 -8.960 -2.153 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.316 -6.584 -0.514 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -12.249 -7.873 0.005 1.00 72.24 H new ATOM 0 HG LEU A 6 -11.645 -5.937 -2.249 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -10.024 -4.913 -0.630 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -11.701 -4.794 -0.047 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -10.609 -6.025 0.631 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.314 -6.745 -2.063 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -9.835 -7.937 -0.849 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -10.440 -8.045 -2.519 1.00 61.12 H new ATOM 78 N ASP A 7 -14.288 -10.114 -0.889 1.00 75.13 N ATOM 79 CA ASP A 7 -15.391 -10.877 -0.299 1.00 1.34 C ATOM 80 C ASP A 7 -15.728 -10.357 1.102 1.00 50.11 C ATOM 81 O ASP A 7 -15.094 -9.405 1.571 1.00 25.20 O ATOM 82 CB ASP A 7 -15.006 -12.357 -0.250 1.00 22.15 C ATOM 83 CG ASP A 7 -16.217 -13.235 -0.497 1.00 51.25 C ATOM 84 OD1 ASP A 7 -17.011 -13.393 0.453 1.00 12.54 O ATOM 85 OD2 ASP A 7 -16.326 -13.711 -1.648 1.00 3.35 O1- ATOM 0 H ASP A 7 -13.396 -10.609 -0.865 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.281 -10.755 -0.916 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -14.242 -12.564 -0.999 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -14.572 -12.593 0.722 1.00 22.15 H new ATOM 90 N GLN A 8 -16.672 -11.007 1.793 1.00 35.03 N ATOM 91 CA GLN A 8 -16.922 -10.813 3.214 1.00 31.00 C ATOM 92 C GLN A 8 -15.603 -10.968 3.974 1.00 15.44 C ATOM 93 O GLN A 8 -15.120 -10.018 4.588 1.00 42.40 O ATOM 94 CB GLN A 8 -17.919 -11.860 3.750 1.00 11.40 C ATOM 95 CG GLN A 8 -19.422 -11.553 3.614 1.00 73.15 C ATOM 96 CD GLN A 8 -20.180 -11.901 4.904 1.00 5.35 C ATOM 97 OE1 GLN A 8 -19.807 -12.810 5.645 1.00 73.41 O ATOM 98 NE2 GLN A 8 -21.187 -11.124 5.269 1.00 23.44 N ATOM 0 H GLN A 8 -17.292 -11.695 1.365 1.00 35.03 H new ATOM 0 HA GLN A 8 -17.344 -9.818 3.358 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -17.722 -12.803 3.240 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -17.703 -12.018 4.807 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -19.560 -10.497 3.382 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -19.838 -12.120 2.781 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -21.498 -10.370 4.656 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -21.653 -11.279 6.163 1.00 23.44 H new ATOM 107 N LYS A 9 -15.043 -12.184 3.956 1.00 54.03 N ATOM 108 CA LYS A 9 -13.885 -12.533 4.772 1.00 31.31 C ATOM 109 C LYS A 9 -12.684 -11.692 4.356 1.00 71.23 C ATOM 110 O LYS A 9 -11.963 -11.191 5.210 1.00 2.24 O ATOM 111 CB LYS A 9 -13.588 -14.043 4.684 1.00 54.31 C ATOM 112 CG LYS A 9 -14.776 -14.896 5.165 1.00 72.00 C ATOM 113 CD LYS A 9 -14.440 -16.392 5.213 1.00 23.34 C ATOM 114 CE LYS A 9 -15.705 -17.191 5.557 1.00 1.24 C ATOM 115 NZ LYS A 9 -15.451 -18.640 5.683 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.383 -12.949 3.374 1.00 54.03 H new ATOM 0 HA LYS A 9 -14.105 -12.312 5.816 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -13.348 -14.305 3.654 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -12.709 -14.275 5.285 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -15.081 -14.563 6.157 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -15.626 -14.738 4.501 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -14.042 -16.717 4.252 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -13.666 -16.578 5.958 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -16.122 -16.817 6.492 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -16.456 -17.024 4.784 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -16.339 -19.129 5.916 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -15.079 -19.007 4.784 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -14.756 -18.806 6.439 1.00 21.22 H new ATOM 129 N THR A 10 -12.479 -11.505 3.051 1.00 74.25 N ATOM 130 CA THR A 10 -11.335 -10.797 2.495 1.00 13.54 C ATOM 131 C THR A 10 -11.204 -9.391 3.094 1.00 52.52 C ATOM 132 O THR A 10 -10.092 -8.988 3.439 1.00 61.23 O ATOM 133 CB THR A 10 -11.481 -10.758 0.965 1.00 0.01 C ATOM 134 OG1 THR A 10 -12.017 -11.973 0.474 1.00 34.44 O ATOM 135 CG2 THR A 10 -10.168 -10.507 0.228 1.00 21.15 C ATOM 0 H THR A 10 -13.121 -11.851 2.339 1.00 74.25 H new ATOM 0 HA THR A 10 -10.416 -11.323 2.752 1.00 13.54 H new ATOM 0 HB THR A 10 -12.152 -9.921 0.772 1.00 0.01 H new ATOM 0 HG1 THR A 10 -11.954 -11.987 -0.504 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.351 -10.493 -0.846 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.754 -9.547 0.538 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.460 -11.301 0.465 1.00 21.15 H new ATOM 143 N PHE A 11 -12.328 -8.678 3.232 1.00 2.31 N ATOM 144 CA PHE A 11 -12.415 -7.339 3.809 1.00 54.43 C ATOM 145 C PHE A 11 -11.879 -7.317 5.240 1.00 2.41 C ATOM 146 O PHE A 11 -11.158 -6.401 5.630 1.00 32.02 O ATOM 147 CB PHE A 11 -13.883 -6.891 3.774 1.00 25.32 C ATOM 148 CG PHE A 11 -14.143 -5.405 3.929 1.00 64.11 C ATOM 149 CD1 PHE A 11 -13.630 -4.495 2.983 1.00 71.24 C ATOM 150 CD2 PHE A 11 -14.998 -4.939 4.945 1.00 32.05 C ATOM 151 CE1 PHE A 11 -13.984 -3.136 3.043 1.00 72.32 C ATOM 152 CE2 PHE A 11 -15.366 -3.582 4.995 1.00 20.31 C ATOM 153 CZ PHE A 11 -14.868 -2.684 4.038 1.00 65.24 C ATOM 0 H PHE A 11 -13.235 -9.035 2.932 1.00 2.31 H new ATOM 0 HA PHE A 11 -11.801 -6.652 3.226 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -14.316 -7.216 2.828 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.418 -7.415 4.566 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -12.962 -4.843 2.209 1.00 71.24 H new ATOM 0 HD2 PHE A 11 -15.373 -5.626 5.689 1.00 32.05 H new ATOM 0 HE1 PHE A 11 -13.577 -2.439 2.325 1.00 72.32 H new ATOM 0 HE2 PHE A 11 -16.032 -3.231 5.770 1.00 20.31 H new ATOM 0 HZ PHE A 11 -15.164 -1.646 4.066 1.00 65.24 H new ATOM 163 N SER A 12 -12.199 -8.346 6.017 1.00 52.41 N ATOM 164 CA SER A 12 -11.722 -8.482 7.378 1.00 3.30 C ATOM 165 C SER A 12 -10.223 -8.780 7.393 1.00 51.11 C ATOM 166 O SER A 12 -9.498 -8.212 8.204 1.00 3.04 O ATOM 167 CB SER A 12 -12.516 -9.572 8.087 1.00 34.53 C ATOM 168 OG SER A 12 -13.897 -9.242 8.094 1.00 33.32 O ATOM 0 H SER A 12 -12.801 -9.111 5.713 1.00 52.41 H new ATOM 0 HA SER A 12 -11.872 -7.544 7.912 1.00 3.30 H new ATOM 0 HB2 SER A 12 -12.365 -10.528 7.585 1.00 34.53 H new ATOM 0 HB3 SER A 12 -12.157 -9.688 9.109 1.00 34.53 H new ATOM 0 HG SER A 12 -14.400 -9.949 8.550 1.00 33.32 H new ATOM 174 N ILE A 13 -9.729 -9.629 6.488 1.00 45.32 N ATOM 175 CA ILE A 13 -8.317 -10.006 6.483 1.00 14.50 C ATOM 176 C ILE A 13 -7.462 -8.761 6.215 1.00 34.12 C ATOM 177 O ILE A 13 -6.501 -8.506 6.945 1.00 34.35 O ATOM 178 CB ILE A 13 -8.045 -11.135 5.465 1.00 15.23 C ATOM 179 CG1 ILE A 13 -8.943 -12.392 5.585 1.00 24.34 C ATOM 180 CG2 ILE A 13 -6.572 -11.580 5.533 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.419 -12.766 6.993 1.00 3.22 C ATOM 0 H ILE A 13 -10.285 -10.066 5.753 1.00 45.32 H new ATOM 0 HA ILE A 13 -8.043 -10.404 7.460 1.00 14.50 H new ATOM 0 HB ILE A 13 -8.292 -10.681 4.505 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -9.822 -12.244 4.957 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -8.397 -13.241 5.174 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -6.399 -12.376 4.809 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -5.925 -10.733 5.303 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.348 -11.946 6.535 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -10.038 -13.662 6.942 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -8.556 -12.958 7.630 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -10.002 -11.945 7.410 1.00 3.22 H new ATOM 193 N CYS A 14 -7.801 -7.961 5.196 1.00 42.43 N ATOM 194 CA CYS A 14 -7.116 -6.679 5.019 1.00 71.02 C ATOM 195 C CYS A 14 -7.290 -5.724 6.199 1.00 75.44 C ATOM 196 O CYS A 14 -6.304 -5.104 6.587 1.00 53.24 O ATOM 197 CB CYS A 14 -7.412 -5.999 3.687 1.00 61.45 C ATOM 198 SG CYS A 14 -9.163 -6.063 3.242 1.00 44.54 S ATOM 0 H CYS A 14 -8.521 -8.170 4.504 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.059 -6.945 4.993 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -7.092 -4.958 3.737 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -6.825 -6.476 2.902 1.00 61.45 H new ATOM 0 HG CYS A 14 -9.523 -4.922 2.733 1.00 44.54 H new ATOM 204 N LYS A 15 -8.482 -5.615 6.794 1.00 61.20 N ATOM 205 CA LYS A 15 -8.664 -4.800 8.002 1.00 71.41 C ATOM 206 C LYS A 15 -7.695 -5.195 9.112 1.00 64.32 C ATOM 207 O LYS A 15 -7.162 -4.299 9.770 1.00 53.44 O ATOM 208 CB LYS A 15 -10.097 -4.891 8.540 1.00 2.12 C ATOM 209 CG LYS A 15 -11.117 -3.966 7.861 1.00 72.43 C ATOM 210 CD LYS A 15 -12.499 -4.349 8.396 1.00 54.23 C ATOM 211 CE LYS A 15 -13.611 -3.365 8.018 1.00 22.04 C ATOM 212 NZ LYS A 15 -14.870 -3.733 8.698 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.330 -6.076 6.463 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.458 -3.773 7.701 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -10.441 -5.920 8.437 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.081 -4.666 9.606 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -10.895 -2.922 8.080 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -11.078 -4.080 6.778 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -12.761 -5.338 8.020 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -12.448 -4.424 9.482 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -13.321 -2.352 8.297 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -13.758 -3.368 6.938 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -15.617 -3.059 8.434 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -15.152 -4.692 8.411 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -14.729 -3.707 9.728 1.00 53.52 H new ATOM 226 N GLU A 16 -7.476 -6.489 9.339 1.00 32.01 N ATOM 227 CA GLU A 16 -6.494 -6.954 10.309 1.00 34.41 C ATOM 228 C GLU A 16 -5.091 -6.509 9.869 1.00 35.03 C ATOM 229 O GLU A 16 -4.362 -5.912 10.658 1.00 3.44 O ATOM 230 CB GLU A 16 -6.571 -8.484 10.487 1.00 11.31 C ATOM 231 CG GLU A 16 -7.887 -9.020 11.085 1.00 11.31 C ATOM 232 CD GLU A 16 -8.066 -8.777 12.588 1.00 44.31 C ATOM 233 OE1 GLU A 16 -7.135 -9.044 13.385 1.00 73.22 O ATOM 234 OE2 GLU A 16 -9.185 -8.412 13.011 1.00 55.10 O1- ATOM 0 H GLU A 16 -7.973 -7.239 8.857 1.00 32.01 H new ATOM 0 HA GLU A 16 -6.713 -6.510 11.280 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -6.417 -8.953 9.515 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -5.747 -8.799 11.127 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -8.722 -8.560 10.557 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -7.943 -10.092 10.897 1.00 11.31 H new ATOM 241 N ARG A 17 -4.711 -6.758 8.609 1.00 63.14 N ATOM 242 CA ARG A 17 -3.352 -6.481 8.117 1.00 23.14 C ATOM 243 C ARG A 17 -3.011 -4.998 8.189 1.00 53.13 C ATOM 244 O ARG A 17 -1.890 -4.629 8.531 1.00 22.52 O ATOM 245 CB ARG A 17 -3.165 -6.981 6.672 1.00 51.25 C ATOM 246 CG ARG A 17 -2.501 -8.359 6.602 1.00 12.51 C ATOM 247 CD ARG A 17 -3.393 -9.519 7.020 1.00 23.13 C ATOM 248 NE ARG A 17 -2.652 -10.780 6.890 1.00 4.42 N ATOM 249 CZ ARG A 17 -2.877 -11.916 7.549 1.00 41.23 C ATOM 250 NH1 ARG A 17 -3.860 -12.012 8.436 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -2.092 -12.946 7.287 1.00 54.34 N ATOM 0 H ARG A 17 -5.332 -7.155 7.904 1.00 63.14 H new ATOM 0 HA ARG A 17 -2.671 -7.024 8.772 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.136 -7.025 6.179 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -2.560 -6.263 6.119 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -2.160 -8.531 5.581 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -1.615 -8.353 7.237 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -3.724 -9.384 8.050 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -4.288 -9.545 6.398 1.00 23.13 H new ATOM 0 HE ARG A 17 -1.881 -10.787 6.222 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -4.459 -11.208 8.623 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -4.017 -12.890 8.931 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -1.344 -12.855 6.600 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -2.234 -13.832 7.772 1.00 54.34 H new ATOM 265 N MET A 18 -3.954 -4.124 7.859 1.00 71.35 N ATOM 266 CA MET A 18 -3.770 -2.681 7.841 1.00 21.12 C ATOM 267 C MET A 18 -3.831 -2.082 9.261 1.00 10.24 C ATOM 268 O MET A 18 -4.274 -0.952 9.454 1.00 60.01 O ATOM 269 CB MET A 18 -4.796 -2.069 6.874 1.00 35.41 C ATOM 270 CG MET A 18 -4.294 -1.989 5.427 1.00 63.51 C ATOM 271 SD MET A 18 -3.978 -3.570 4.594 1.00 62.02 S ATOM 272 CE MET A 18 -2.176 -3.476 4.527 1.00 72.55 C ATOM 0 H MET A 18 -4.895 -4.410 7.589 1.00 71.35 H new ATOM 0 HA MET A 18 -2.772 -2.435 7.477 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.710 -2.662 6.902 1.00 35.41 H new ATOM 0 HB3 MET A 18 -5.056 -1.067 7.217 1.00 35.41 H new ATOM 0 HG2 MET A 18 -5.027 -1.435 4.841 1.00 63.51 H new ATOM 0 HG3 MET A 18 -3.372 -1.407 5.417 1.00 63.51 H new ATOM 0 HE1 MET A 18 -1.779 -4.400 4.107 1.00 72.55 H new ATOM 0 HE2 MET A 18 -1.879 -2.635 3.900 1.00 72.55 H new ATOM 0 HE3 MET A 18 -1.781 -3.336 5.533 1.00 72.55 H new ATOM 282 N ARG A 19 -3.359 -2.805 10.276 1.00 70.53 N ATOM 283 CA ARG A 19 -3.354 -2.356 11.662 1.00 32.31 C ATOM 284 C ARG A 19 -2.204 -1.392 11.872 1.00 1.35 C ATOM 285 O ARG A 19 -2.474 -0.234 12.203 1.00 33.22 O ATOM 286 CB ARG A 19 -3.273 -3.539 12.651 1.00 55.31 C ATOM 287 CG ARG A 19 -4.600 -3.882 13.323 1.00 70.22 C ATOM 288 CD ARG A 19 -5.096 -2.698 14.155 1.00 11.33 C ATOM 289 NE ARG A 19 -6.301 -3.005 14.925 1.00 22.22 N ATOM 290 CZ ARG A 19 -6.843 -2.154 15.794 1.00 44.22 C ATOM 291 NH1 ARG A 19 -6.381 -0.906 15.869 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -7.838 -2.563 16.569 1.00 44.53 N ATOM 0 H ARG A 19 -2.962 -3.737 10.152 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.296 -1.845 11.863 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -2.909 -4.418 12.120 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -2.538 -3.305 13.421 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -5.342 -4.140 12.567 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -4.477 -4.757 13.961 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -4.306 -2.384 14.837 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -5.299 -1.856 13.493 1.00 11.33 H new ATOM 0 HE ARG A 19 -6.747 -3.913 14.790 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -5.617 -0.608 15.263 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -6.792 -0.249 16.532 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -8.181 -3.521 16.496 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -8.261 -1.920 17.238 1.00 44.53 H new ATOM 306 N PRO A 20 -0.943 -1.809 11.655 1.00 55.23 N ATOM 307 CA PRO A 20 0.204 -0.941 11.859 1.00 5.31 C ATOM 308 C PRO A 20 0.228 0.261 10.912 1.00 5.24 C ATOM 309 O PRO A 20 0.932 1.234 11.167 1.00 22.40 O ATOM 310 CB PRO A 20 1.413 -1.848 11.649 1.00 24.21 C ATOM 311 CG PRO A 20 0.914 -2.966 10.749 1.00 41.52 C ATOM 312 CD PRO A 20 -0.478 -3.152 11.317 1.00 62.13 C ATOM 0 HA PRO A 20 0.184 -0.491 12.852 1.00 5.31 H new ATOM 0 HB2 PRO A 20 2.237 -1.306 11.185 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.782 -2.239 12.597 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.901 -2.681 9.697 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.521 -3.868 10.828 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.139 -3.625 10.590 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -0.460 -3.795 12.197 1.00 62.13 H new ATOM 320 N VAL A 21 -0.547 0.224 9.827 1.00 53.43 N ATOM 321 CA VAL A 21 -0.615 1.278 8.825 1.00 65.33 C ATOM 322 C VAL A 21 -2.008 1.907 8.773 1.00 34.13 C ATOM 323 O VAL A 21 -2.306 2.612 7.815 1.00 65.24 O ATOM 324 CB VAL A 21 -0.089 0.759 7.467 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.422 0.550 7.563 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.758 -0.541 6.995 1.00 41.14 C ATOM 0 H VAL A 21 -1.160 -0.564 9.619 1.00 53.43 H new ATOM 0 HA VAL A 21 0.047 2.097 9.108 1.00 65.33 H new ATOM 0 HB VAL A 21 -0.338 1.517 6.724 1.00 4.30 H new ATOM 0 HG11 VAL A 21 1.800 0.184 6.608 1.00 52.03 H new ATOM 0 HG12 VAL A 21 1.905 1.496 7.806 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.640 -0.179 8.343 1.00 52.03 H new ATOM 0 HG21 VAL A 21 -0.335 -0.840 6.036 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -0.584 -1.327 7.729 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.830 -0.379 6.884 1.00 41.14 H new ATOM 336 N LYS A 22 -2.869 1.712 9.785 1.00 4.01 N ATOM 337 CA LYS A 22 -4.211 2.300 9.764 1.00 52.15 C ATOM 338 C LYS A 22 -4.126 3.822 9.649 1.00 32.24 C ATOM 339 O LYS A 22 -4.785 4.400 8.794 1.00 35.14 O ATOM 340 CB LYS A 22 -5.047 1.884 10.989 1.00 14.31 C ATOM 341 CG LYS A 22 -6.511 1.615 10.606 1.00 51.24 C ATOM 342 CD LYS A 22 -7.462 1.839 11.789 1.00 4.42 C ATOM 343 CE LYS A 22 -8.886 1.410 11.404 1.00 30.13 C ATOM 344 NZ LYS A 22 -9.917 2.155 12.152 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.660 1.159 10.616 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.724 1.912 8.884 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -4.617 0.989 11.438 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -5.005 2.670 11.743 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -6.797 2.269 9.782 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -6.610 0.590 10.249 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -7.122 1.268 12.653 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -7.455 2.890 12.078 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -9.033 1.565 10.335 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -9.005 0.343 11.591 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -10.861 1.831 11.858 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -9.795 1.988 13.171 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -9.823 3.172 11.954 1.00 62.13 H new ATOM 358 N ALA A 23 -3.280 4.465 10.462 1.00 3.10 N ATOM 359 CA ALA A 23 -3.064 5.904 10.374 1.00 60.23 C ATOM 360 C ALA A 23 -2.497 6.294 9.010 1.00 22.25 C ATOM 361 O ALA A 23 -2.924 7.285 8.436 1.00 61.41 O ATOM 362 CB ALA A 23 -2.106 6.369 11.468 1.00 13.54 C ATOM 0 H ALA A 23 -2.734 4.004 11.190 1.00 3.10 H new ATOM 0 HA ALA A 23 -4.031 6.390 10.506 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -1.956 7.446 11.387 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -2.528 6.134 12.445 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -1.149 5.860 11.354 1.00 13.54 H new ATOM 368 N ALA A 24 -1.537 5.526 8.490 1.00 33.30 N ATOM 369 CA ALA A 24 -0.881 5.823 7.226 1.00 54.32 C ATOM 370 C ALA A 24 -1.907 5.788 6.089 1.00 25.33 C ATOM 371 O ALA A 24 -2.073 6.759 5.362 1.00 41.25 O ATOM 372 CB ALA A 24 0.271 4.834 7.019 1.00 1.31 C ATOM 0 H ALA A 24 -1.195 4.677 8.941 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.456 6.827 7.236 1.00 54.32 H new ATOM 0 HB1 ALA A 24 0.769 5.049 6.074 1.00 1.31 H new ATOM 0 HB2 ALA A 24 0.986 4.932 7.836 1.00 1.31 H new ATOM 0 HB3 ALA A 24 -0.121 3.817 7.000 1.00 1.31 H new ATOM 378 N LEU A 25 -2.655 4.695 5.947 1.00 62.25 N ATOM 379 CA LEU A 25 -3.684 4.596 4.921 1.00 63.42 C ATOM 380 C LEU A 25 -4.698 5.737 5.081 1.00 64.02 C ATOM 381 O LEU A 25 -5.075 6.370 4.102 1.00 34.33 O ATOM 382 CB LEU A 25 -4.235 3.163 4.892 1.00 1.32 C ATOM 383 CG LEU A 25 -5.462 2.851 5.759 1.00 2.24 C ATOM 384 CD1 LEU A 25 -6.753 3.194 5.028 1.00 2.21 C ATOM 385 CD2 LEU A 25 -5.486 1.363 6.102 1.00 60.44 C ATOM 0 H LEU A 25 -2.565 3.865 6.533 1.00 62.25 H new ATOM 0 HA LEU A 25 -3.286 4.751 3.918 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -4.484 2.921 3.859 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -3.432 2.489 5.192 1.00 1.32 H new ATOM 0 HG LEU A 25 -5.391 3.453 6.665 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -7.605 2.962 5.667 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -6.761 4.256 4.783 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -6.818 2.609 4.110 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -6.359 1.146 6.718 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -5.535 0.779 5.183 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -4.581 1.101 6.650 1.00 60.44 H new ATOM 397 N LYS A 26 -5.065 6.077 6.319 1.00 54.00 N ATOM 398 CA LYS A 26 -5.915 7.231 6.614 1.00 74.52 C ATOM 399 C LYS A 26 -5.309 8.573 6.168 1.00 13.22 C ATOM 400 O LYS A 26 -6.063 9.426 5.692 1.00 65.43 O ATOM 401 CB LYS A 26 -6.255 7.251 8.113 1.00 21.25 C ATOM 402 CG LYS A 26 -7.547 6.490 8.458 1.00 45.03 C ATOM 403 CD LYS A 26 -8.766 7.326 8.045 1.00 54.44 C ATOM 404 CE LYS A 26 -10.066 6.920 8.744 1.00 30.32 C ATOM 405 NZ LYS A 26 -11.080 7.988 8.583 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.779 5.556 7.148 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.827 7.114 6.029 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -5.426 6.816 8.672 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -6.353 8.286 8.442 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -7.562 5.529 7.944 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -7.583 6.281 9.527 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -8.563 8.375 8.259 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -8.903 7.241 6.967 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -10.439 5.986 8.323 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -9.879 6.741 9.803 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -11.960 7.706 9.060 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -10.725 8.870 9.005 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -11.268 8.139 7.571 1.00 3.34 H new ATOM 419 N GLN A 27 -3.995 8.775 6.289 1.00 44.31 N ATOM 420 CA GLN A 27 -3.296 9.976 5.814 1.00 45.20 C ATOM 421 C GLN A 27 -3.510 10.177 4.315 1.00 75.11 C ATOM 422 O GLN A 27 -3.552 11.313 3.849 1.00 3.23 O ATOM 423 CB GLN A 27 -1.789 9.910 6.077 1.00 63.33 C ATOM 424 CG GLN A 27 -1.457 10.145 7.548 1.00 62.13 C ATOM 425 CD GLN A 27 -1.360 11.616 7.927 1.00 71.01 C ATOM 426 OE1 GLN A 27 -1.001 12.468 7.118 1.00 33.44 O ATOM 427 NE2 GLN A 27 -1.674 11.951 9.163 1.00 1.20 N ATOM 0 H GLN A 27 -3.373 8.096 6.728 1.00 44.31 H new ATOM 0 HA GLN A 27 -3.718 10.812 6.371 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.409 8.935 5.770 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.281 10.656 5.466 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -2.221 9.670 8.164 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -0.511 9.656 7.780 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -1.971 11.235 9.826 1.00 1.20 H new ATOM 0 HE22 GLN A 27 -1.620 12.926 9.456 1.00 1.20 H new ATOM 436 N LEU A 28 -3.589 9.081 3.563 1.00 32.11 N ATOM 437 CA LEU A 28 -3.743 9.069 2.116 1.00 1.43 C ATOM 438 C LEU A 28 -5.221 9.050 1.703 1.00 13.42 C ATOM 439 O LEU A 28 -5.507 9.345 0.543 1.00 2.11 O ATOM 440 CB LEU A 28 -2.969 7.855 1.560 1.00 33.02 C ATOM 441 CG LEU A 28 -1.545 8.112 1.017 1.00 3.21 C ATOM 442 CD1 LEU A 28 -1.578 8.554 -0.449 1.00 34.30 C ATOM 443 CD2 LEU A 28 -0.728 9.127 1.820 1.00 62.12 C ATOM 0 H LEU A 28 -3.546 8.144 3.963 1.00 32.11 H new ATOM 0 HA LEU A 28 -3.331 9.985 1.693 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -2.899 7.108 2.351 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.562 7.415 0.758 1.00 33.02 H new ATOM 0 HG LEU A 28 -1.044 7.149 1.117 1.00 3.21 H new ATOM 0 HD11 LEU A 28 -0.561 8.726 -0.800 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -2.043 7.775 -1.053 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -2.154 9.475 -0.538 1.00 34.30 H new ATOM 0 HD21 LEU A 28 0.256 9.243 1.366 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -1.242 10.088 1.822 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -0.615 8.774 2.845 1.00 62.12 H new ATOM 455 N ASP A 29 -6.144 8.718 2.616 1.00 4.35 N ATOM 456 CA ASP A 29 -7.599 8.781 2.418 1.00 23.20 C ATOM 457 C ASP A 29 -8.102 10.211 2.556 1.00 70.54 C ATOM 458 O ASP A 29 -8.928 10.671 1.772 1.00 54.23 O ATOM 459 CB ASP A 29 -8.328 7.924 3.468 1.00 44.14 C ATOM 460 CG ASP A 29 -9.847 7.884 3.254 1.00 22.52 C ATOM 461 OD1 ASP A 29 -10.314 7.572 2.145 1.00 42.44 O ATOM 462 OD2 ASP A 29 -10.604 8.070 4.242 1.00 31.42 O1- ATOM 0 H ASP A 29 -5.889 8.386 3.546 1.00 4.35 H new ATOM 0 HA ASP A 29 -7.804 8.406 1.415 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -7.935 6.908 3.437 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -8.116 8.318 4.462 1.00 44.14 H new ATOM 467 N ARG A 30 -7.642 10.913 3.595 1.00 1.15 N ATOM 468 CA ARG A 30 -8.019 12.291 3.875 1.00 60.23 C ATOM 469 C ARG A 30 -6.867 12.956 4.641 1.00 21.12 C ATOM 470 O ARG A 30 -6.890 12.927 5.876 1.00 42.23 O ATOM 471 CB ARG A 30 -9.368 12.354 4.628 1.00 12.30 C ATOM 472 CG ARG A 30 -9.895 13.797 4.670 1.00 32.22 C ATOM 473 CD ARG A 30 -10.932 14.065 5.764 1.00 61.42 C ATOM 474 NE ARG A 30 -12.325 13.943 5.318 1.00 74.33 N ATOM 475 CZ ARG A 30 -13.385 14.331 6.039 1.00 54.25 C ATOM 476 NH1 ARG A 30 -13.270 14.730 7.305 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -14.580 14.302 5.477 1.00 42.22 N ATOM 0 H ARG A 30 -6.986 10.528 4.274 1.00 1.15 H new ATOM 0 HA ARG A 30 -8.179 12.843 2.949 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -10.096 11.709 4.136 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -9.242 11.977 5.643 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -9.052 14.474 4.813 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -10.336 14.037 3.703 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -10.764 13.369 6.586 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -10.776 15.069 6.159 1.00 61.42 H new ATOM 0 HE ARG A 30 -12.497 13.536 4.399 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -12.354 14.746 7.753 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -14.098 15.019 7.826 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -14.682 13.988 4.512 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -15.401 14.593 6.008 1.00 42.22 H new ATOM 491 N PRO A 31 -5.841 13.505 3.971 1.00 42.22 N ATOM 492 CA PRO A 31 -4.852 14.346 4.638 1.00 54.35 C ATOM 493 C PRO A 31 -5.511 15.607 5.203 1.00 4.11 C ATOM 494 O PRO A 31 -6.675 15.898 4.904 1.00 74.21 O ATOM 495 CB PRO A 31 -3.815 14.690 3.566 1.00 32.13 C ATOM 496 CG PRO A 31 -4.584 14.573 2.253 1.00 42.02 C ATOM 497 CD PRO A 31 -5.617 13.483 2.534 1.00 44.54 C ATOM 0 HA PRO A 31 -4.390 13.839 5.485 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -3.415 15.694 3.706 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -2.969 14.003 3.595 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -5.060 15.516 1.982 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -3.927 14.299 1.427 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -6.543 13.674 1.992 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -5.253 12.508 2.211 1.00 44.54 H new ATOM 505 N GLU A 32 -4.750 16.375 5.985 1.00 1.13 N ATOM 506 CA GLU A 32 -5.122 17.712 6.425 1.00 30.44 C ATOM 507 C GLU A 32 -4.122 18.804 6.061 1.00 4.33 C ATOM 508 O GLU A 32 -4.399 19.979 6.296 1.00 30.13 O ATOM 509 CB GLU A 32 -5.424 17.716 7.923 1.00 33.11 C ATOM 510 CG GLU A 32 -4.206 17.577 8.849 1.00 14.44 C ATOM 511 CD GLU A 32 -4.492 18.109 10.255 1.00 31.31 C ATOM 512 OE1 GLU A 32 -5.658 18.052 10.712 1.00 41.22 O ATOM 513 OE2 GLU A 32 -3.528 18.525 10.938 1.00 23.13 O1- ATOM 0 H GLU A 32 -3.840 16.075 6.335 1.00 1.13 H new ATOM 0 HA GLU A 32 -6.025 17.964 5.869 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -5.940 18.644 8.168 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -6.115 16.901 8.138 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -3.915 16.528 8.910 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -3.362 18.118 8.421 1.00 14.44 H new ATOM 520 N LYS A 33 -2.963 18.428 5.504 1.00 52.24 N ATOM 521 CA LYS A 33 -1.846 19.306 5.116 1.00 32.14 C ATOM 522 C LYS A 33 -1.513 20.355 6.196 1.00 2.41 C ATOM 523 O LYS A 33 -1.033 21.453 5.895 1.00 0.40 O ATOM 524 CB LYS A 33 -2.062 19.879 3.696 1.00 62.42 C ATOM 525 CG LYS A 33 -3.356 20.695 3.561 1.00 63.41 C ATOM 526 CD LYS A 33 -3.551 21.404 2.226 1.00 51.51 C ATOM 527 CE LYS A 33 -2.705 22.677 2.138 1.00 43.22 C ATOM 528 NZ LYS A 33 -3.204 23.564 1.072 1.00 43.21 N1+ ATOM 0 H LYS A 33 -2.767 17.448 5.300 1.00 52.24 H new ATOM 0 HA LYS A 33 -0.940 18.702 5.055 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -1.213 20.511 3.434 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -2.082 19.058 2.979 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -4.203 20.029 3.726 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -3.378 21.441 4.355 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -3.282 20.730 1.412 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -4.604 21.656 2.097 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -2.728 23.201 3.094 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -1.665 22.415 1.943 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -2.616 24.421 1.030 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -3.160 23.068 0.159 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -4.189 23.830 1.274 1.00 43.21 H new ATOM 542 N GLY A 34 -1.742 20.026 7.467 1.00 62.23 N ATOM 543 CA GLY A 34 -1.656 20.955 8.582 1.00 43.33 C ATOM 544 C GLY A 34 -0.235 21.132 9.113 1.00 1.12 C ATOM 545 O GLY A 34 -0.028 21.952 10.003 1.00 35.04 O ATOM 0 H GLY A 34 -1.999 19.081 7.752 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -2.043 21.925 8.269 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -2.297 20.602 9.390 1.00 43.33 H new ATOM 549 N LEU A 35 0.729 20.348 8.627 1.00 20.30 N ATOM 550 CA LEU A 35 2.024 20.169 9.272 1.00 75.01 C ATOM 551 C LEU A 35 2.974 21.256 8.770 1.00 50.32 C ATOM 552 O LEU A 35 3.310 22.199 9.480 1.00 62.14 O ATOM 553 CB LEU A 35 2.568 18.763 8.958 1.00 30.55 C ATOM 554 CG LEU A 35 1.905 17.561 9.650 1.00 75.10 C ATOM 555 CD1 LEU A 35 0.391 17.462 9.455 1.00 74.41 C ATOM 556 CD2 LEU A 35 2.579 16.277 9.139 1.00 10.10 C ATOM 0 H LEU A 35 0.628 19.814 7.764 1.00 20.30 H new ATOM 0 HA LEU A 35 1.928 20.257 10.354 1.00 75.01 H new ATOM 0 HB2 LEU A 35 2.496 18.610 7.881 1.00 30.55 H new ATOM 0 HB3 LEU A 35 3.628 18.751 9.211 1.00 30.55 H new ATOM 0 HG LEU A 35 2.046 17.700 10.722 1.00 75.10 H new ATOM 0 HD11 LEU A 35 0.013 16.584 9.979 1.00 74.41 H new ATOM 0 HD12 LEU A 35 -0.087 18.356 9.855 1.00 74.41 H new ATOM 0 HD13 LEU A 35 0.166 17.375 8.392 1.00 74.41 H new ATOM 0 HD21 LEU A 35 2.123 15.411 9.618 1.00 10.10 H new ATOM 0 HD22 LEU A 35 2.451 16.204 8.059 1.00 10.10 H new ATOM 0 HD23 LEU A 35 3.642 16.305 9.377 1.00 10.10 H new ATOM 568 N SER A 36 3.410 21.128 7.521 1.00 13.30 N ATOM 569 CA SER A 36 4.104 22.109 6.715 1.00 21.20 C ATOM 570 C SER A 36 3.734 21.759 5.268 1.00 65.31 C ATOM 571 O SER A 36 2.822 20.962 5.039 1.00 60.15 O ATOM 572 CB SER A 36 5.608 22.024 7.023 1.00 50.44 C ATOM 573 OG SER A 36 6.339 23.098 6.470 1.00 62.23 O ATOM 0 H SER A 36 3.271 20.257 7.009 1.00 13.30 H new ATOM 0 HA SER A 36 3.827 23.144 6.915 1.00 21.20 H new ATOM 0 HB2 SER A 36 5.753 22.009 8.103 1.00 50.44 H new ATOM 0 HB3 SER A 36 6.002 21.084 6.635 1.00 50.44 H new ATOM 0 HG SER A 36 7.288 22.998 6.695 1.00 62.23 H new ATOM 579 N GLU A 37 4.407 22.329 4.274 1.00 43.12 N ATOM 580 CA GLU A 37 4.424 21.793 2.927 1.00 23.33 C ATOM 581 C GLU A 37 5.751 21.063 2.683 1.00 0.42 C ATOM 582 O GLU A 37 5.815 20.081 1.946 1.00 53.05 O ATOM 583 CB GLU A 37 4.269 22.962 1.953 1.00 4.24 C ATOM 584 CG GLU A 37 3.950 22.412 0.571 1.00 51.34 C ATOM 585 CD GLU A 37 4.097 23.467 -0.516 1.00 10.03 C ATOM 586 OE1 GLU A 37 5.223 23.983 -0.693 1.00 20.55 O ATOM 587 OE2 GLU A 37 3.078 23.793 -1.172 1.00 32.52 O1- ATOM 0 H GLU A 37 4.958 23.180 4.386 1.00 43.12 H new ATOM 0 HA GLU A 37 3.611 21.081 2.783 1.00 23.33 H new ATOM 0 HB2 GLU A 37 3.473 23.628 2.287 1.00 4.24 H new ATOM 0 HB3 GLU A 37 5.186 23.551 1.922 1.00 4.24 H new ATOM 0 HG2 GLU A 37 4.612 21.574 0.354 1.00 51.34 H new ATOM 0 HG3 GLU A 37 2.932 22.024 0.563 1.00 51.34 H new ATOM 594 N ARG A 38 6.829 21.528 3.323 1.00 21.15 N ATOM 595 CA ARG A 38 8.157 20.971 3.106 1.00 61.30 C ATOM 596 C ARG A 38 8.217 19.581 3.717 1.00 25.54 C ATOM 597 O ARG A 38 8.821 18.676 3.139 1.00 2.34 O ATOM 598 CB ARG A 38 9.207 21.941 3.679 1.00 12.35 C ATOM 599 CG ARG A 38 10.588 21.813 3.018 1.00 63.40 C ATOM 600 CD ARG A 38 11.463 20.689 3.595 1.00 71.42 C ATOM 601 NE ARG A 38 12.153 19.940 2.532 1.00 64.41 N ATOM 602 CZ ARG A 38 13.196 20.334 1.794 1.00 71.50 C ATOM 603 NH1 ARG A 38 13.724 21.547 1.924 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 13.748 19.506 0.924 1.00 51.23 N ATOM 0 H ARG A 38 6.801 22.293 3.998 1.00 21.15 H new ATOM 0 HA ARG A 38 8.376 20.859 2.044 1.00 61.30 H new ATOM 0 HB2 ARG A 38 8.849 22.963 3.558 1.00 12.35 H new ATOM 0 HB3 ARG A 38 9.308 21.763 4.750 1.00 12.35 H new ATOM 0 HG2 ARG A 38 10.452 21.640 1.950 1.00 63.40 H new ATOM 0 HG3 ARG A 38 11.117 22.760 3.123 1.00 63.40 H new ATOM 0 HD2 ARG A 38 12.199 21.114 4.278 1.00 71.42 H new ATOM 0 HD3 ARG A 38 10.843 20.007 4.178 1.00 71.42 H new ATOM 0 HE ARG A 38 11.791 19.007 2.334 1.00 64.41 H new ATOM 0 HH11 ARG A 38 13.333 22.203 2.600 1.00 14.30 H new ATOM 0 HH12 ARG A 38 14.520 21.821 1.348 1.00 14.30 H new ATOM 0 HH21 ARG A 38 13.378 18.562 0.813 1.00 51.23 H new ATOM 0 HH22 ARG A 38 14.543 19.811 0.363 1.00 51.23 H new ATOM 618 N GLU A 39 7.563 19.405 4.864 1.00 34.32 N ATOM 619 CA GLU A 39 7.496 18.123 5.526 1.00 22.23 C ATOM 620 C GLU A 39 6.626 17.164 4.702 1.00 4.10 C ATOM 621 O GLU A 39 7.001 16.003 4.573 1.00 34.05 O ATOM 622 CB GLU A 39 7.042 18.342 6.975 1.00 71.25 C ATOM 623 CG GLU A 39 5.531 18.429 7.164 1.00 31.04 C ATOM 624 CD GLU A 39 4.846 17.060 7.068 1.00 75.22 C ATOM 625 OE1 GLU A 39 5.344 16.079 7.671 1.00 14.54 O1- ATOM 626 OE2 GLU A 39 3.837 16.965 6.343 1.00 73.33 O ATOM 0 H GLU A 39 7.069 20.152 5.352 1.00 34.32 H new ATOM 0 HA GLU A 39 8.471 17.639 5.587 1.00 22.23 H new ATOM 0 HB2 GLU A 39 7.425 17.526 7.588 1.00 71.25 H new ATOM 0 HB3 GLU A 39 7.495 19.261 7.348 1.00 71.25 H new ATOM 0 HG2 GLU A 39 5.315 18.872 8.136 1.00 31.04 H new ATOM 0 HG3 GLU A 39 5.112 19.095 6.410 1.00 31.04 H new ATOM 633 N GLN A 40 5.515 17.641 4.107 1.00 75.44 N ATOM 634 CA GLN A 40 4.544 16.831 3.356 1.00 33.21 C ATOM 635 C GLN A 40 5.228 16.038 2.260 1.00 45.12 C ATOM 636 O GLN A 40 4.873 14.896 1.980 1.00 73.12 O ATOM 637 CB GLN A 40 3.462 17.717 2.712 1.00 44.22 C ATOM 638 CG GLN A 40 2.380 18.190 3.684 1.00 34.02 C ATOM 639 CD GLN A 40 1.343 17.104 3.918 1.00 3.44 C ATOM 640 OE1 GLN A 40 0.419 16.955 3.123 1.00 24.20 O ATOM 641 NE2 GLN A 40 1.479 16.335 4.982 1.00 2.34 N ATOM 0 H GLN A 40 5.264 18.629 4.138 1.00 75.44 H new ATOM 0 HA GLN A 40 4.082 16.149 4.069 1.00 33.21 H new ATOM 0 HB2 GLN A 40 3.940 18.589 2.266 1.00 44.22 H new ATOM 0 HB3 GLN A 40 2.989 17.163 1.901 1.00 44.22 H new ATOM 0 HG2 GLN A 40 2.837 18.472 4.633 1.00 34.02 H new ATOM 0 HG3 GLN A 40 1.894 19.081 3.287 1.00 34.02 H new ATOM 0 HE21 GLN A 40 2.258 16.485 5.623 1.00 2.34 H new ATOM 0 HE22 GLN A 40 0.805 15.591 5.163 1.00 2.34 H new ATOM 650 N LEU A 41 6.232 16.654 1.651 1.00 41.12 N ATOM 651 CA LEU A 41 6.996 16.042 0.595 1.00 15.34 C ATOM 652 C LEU A 41 7.698 14.779 1.026 1.00 23.34 C ATOM 653 O LEU A 41 7.904 13.912 0.183 1.00 52.42 O ATOM 654 CB LEU A 41 8.031 17.043 0.088 1.00 21.03 C ATOM 655 CG LEU A 41 7.804 17.299 -1.402 1.00 0.11 C ATOM 656 CD1 LEU A 41 6.443 17.982 -1.594 1.00 22.31 C ATOM 657 CD2 LEU A 41 8.929 18.171 -1.948 1.00 65.33 C ATOM 0 H LEU A 41 6.534 17.600 1.885 1.00 41.12 H new ATOM 0 HA LEU A 41 6.294 15.764 -0.191 1.00 15.34 H new ATOM 0 HB2 LEU A 41 7.953 17.977 0.645 1.00 21.03 H new ATOM 0 HB3 LEU A 41 9.037 16.657 0.253 1.00 21.03 H new ATOM 0 HG LEU A 41 7.804 16.355 -1.948 1.00 0.11 H new ATOM 0 HD11 LEU A 41 6.275 18.167 -2.655 1.00 22.31 H new ATOM 0 HD12 LEU A 41 5.654 17.336 -1.209 1.00 22.31 H new ATOM 0 HD13 LEU A 41 6.432 18.929 -1.054 1.00 22.31 H new ATOM 0 HD21 LEU A 41 8.766 18.353 -3.010 1.00 65.33 H new ATOM 0 HD22 LEU A 41 8.944 19.122 -1.415 1.00 65.33 H new ATOM 0 HD23 LEU A 41 9.883 17.663 -1.809 1.00 65.33 H new ATOM 669 N GLU A 42 8.097 14.680 2.286 1.00 33.24 N ATOM 670 CA GLU A 42 8.668 13.462 2.815 1.00 33.03 C ATOM 671 C GLU A 42 7.540 12.633 3.425 1.00 40.42 C ATOM 672 O GLU A 42 7.557 11.417 3.232 1.00 21.43 O ATOM 673 CB GLU A 42 9.865 13.792 3.724 1.00 30.51 C ATOM 674 CG GLU A 42 9.614 13.898 5.228 1.00 14.32 C ATOM 675 CD GLU A 42 9.951 12.621 6.002 1.00 3.02 C ATOM 676 OE1 GLU A 42 11.127 12.191 5.991 1.00 2.14 O1- ATOM 677 OE2 GLU A 42 9.076 12.078 6.718 1.00 44.20 O ATOM 0 H GLU A 42 8.032 15.441 2.963 1.00 33.24 H new ATOM 0 HA GLU A 42 9.107 12.828 2.045 1.00 33.03 H new ATOM 0 HB2 GLU A 42 10.626 13.028 3.565 1.00 30.51 H new ATOM 0 HB3 GLU A 42 10.289 14.739 3.388 1.00 30.51 H new ATOM 0 HG2 GLU A 42 10.206 14.721 5.629 1.00 14.32 H new ATOM 0 HG3 GLU A 42 8.566 14.147 5.395 1.00 14.32 H new ATOM 684 N HIS A 43 6.530 13.270 4.046 1.00 44.33 N ATOM 685 CA HIS A 43 5.395 12.593 4.646 1.00 44.01 C ATOM 686 C HIS A 43 4.703 11.650 3.667 1.00 54.41 C ATOM 687 O HIS A 43 4.487 10.496 4.049 1.00 14.03 O ATOM 688 CB HIS A 43 4.392 13.613 5.209 1.00 30.04 C ATOM 689 CG HIS A 43 3.621 13.119 6.406 1.00 15.00 C ATOM 690 ND1 HIS A 43 3.713 13.659 7.664 1.00 21.13 N ATOM 691 CD2 HIS A 43 2.724 12.084 6.457 1.00 25.41 C ATOM 692 CE1 HIS A 43 2.920 12.937 8.475 1.00 13.25 C ATOM 693 NE2 HIS A 43 2.299 11.960 7.788 1.00 71.41 N ATOM 0 H HIS A 43 6.491 14.285 4.139 1.00 44.33 H new ATOM 0 HA HIS A 43 5.780 11.985 5.465 1.00 44.01 H new ATOM 0 HB2 HIS A 43 4.929 14.521 5.485 1.00 30.04 H new ATOM 0 HB3 HIS A 43 3.687 13.886 4.423 1.00 30.04 H new ATOM 0 HD1 HIS A 43 4.280 14.462 7.935 1.00 21.13 H new ATOM 0 HD2 HIS A 43 2.403 11.475 5.625 1.00 25.41 H new ATOM 0 HE1 HIS A 43 2.798 13.116 9.533 1.00 13.25 H new ATOM 701 N THR A 44 4.377 12.082 2.440 1.00 62.13 N ATOM 702 CA THR A 44 3.613 11.228 1.533 1.00 71.14 C ATOM 703 C THR A 44 4.447 10.020 1.122 1.00 32.51 C ATOM 704 O THR A 44 3.930 8.901 1.127 1.00 73.14 O ATOM 705 CB THR A 44 3.124 12.029 0.320 1.00 22.00 C ATOM 706 OG1 THR A 44 2.499 13.209 0.785 1.00 22.10 O ATOM 707 CG2 THR A 44 2.125 11.245 -0.534 1.00 62.22 C ATOM 0 H THR A 44 4.626 12.997 2.063 1.00 62.13 H new ATOM 0 HA THR A 44 2.728 10.858 2.051 1.00 71.14 H new ATOM 0 HB THR A 44 3.988 12.252 -0.306 1.00 22.00 H new ATOM 0 HG1 THR A 44 3.183 13.860 1.048 1.00 22.10 H new ATOM 0 HG21 THR A 44 1.810 11.857 -1.379 1.00 62.22 H new ATOM 0 HG22 THR A 44 2.597 10.334 -0.901 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.255 10.985 0.070 1.00 62.22 H new ATOM 715 N ARG A 45 5.744 10.205 0.827 1.00 24.01 N ATOM 716 CA ARG A 45 6.595 9.058 0.529 1.00 72.21 C ATOM 717 C ARG A 45 6.638 8.135 1.728 1.00 64.44 C ATOM 718 O ARG A 45 6.386 6.952 1.545 1.00 71.53 O ATOM 719 CB ARG A 45 8.032 9.410 0.132 1.00 64.22 C ATOM 720 CG ARG A 45 8.207 9.924 -1.299 1.00 11.44 C ATOM 721 CD ARG A 45 8.163 11.447 -1.348 1.00 54.04 C ATOM 722 NE ARG A 45 8.576 11.935 -2.669 1.00 4.24 N ATOM 723 CZ ARG A 45 9.339 13.000 -2.935 1.00 42.41 C ATOM 724 NH1 ARG A 45 9.667 13.858 -1.981 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 9.793 13.203 -4.163 1.00 0.40 N ATOM 0 H ARG A 45 6.209 11.112 0.790 1.00 24.01 H new ATOM 0 HA ARG A 45 6.143 8.579 -0.340 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.407 10.167 0.821 1.00 64.22 H new ATOM 0 HB3 ARG A 45 8.655 8.525 0.261 1.00 64.22 H new ATOM 0 HG2 ARG A 45 9.157 9.572 -1.701 1.00 11.44 H new ATOM 0 HG3 ARG A 45 7.421 9.514 -1.934 1.00 11.44 H new ATOM 0 HD2 ARG A 45 7.154 11.794 -1.126 1.00 54.04 H new ATOM 0 HD3 ARG A 45 8.818 11.860 -0.581 1.00 54.04 H new ATOM 0 HE ARG A 45 8.244 11.403 -3.473 1.00 4.24 H new ATOM 0 HH11 ARG A 45 9.337 13.711 -1.027 1.00 25.00 H new ATOM 0 HH12 ARG A 45 10.250 14.666 -2.200 1.00 25.00 H new ATOM 0 HH21 ARG A 45 9.560 12.546 -4.908 1.00 0.40 H new ATOM 0 HH22 ARG A 45 10.375 14.016 -4.364 1.00 0.40 H new ATOM 739 N GLN A 46 6.987 8.652 2.906 1.00 54.25 N ATOM 740 CA GLN A 46 7.200 7.861 4.109 1.00 14.35 C ATOM 741 C GLN A 46 5.940 7.064 4.457 1.00 34.32 C ATOM 742 O GLN A 46 6.048 5.885 4.782 1.00 63.33 O ATOM 743 CB GLN A 46 7.701 8.758 5.247 1.00 1.03 C ATOM 744 CG GLN A 46 9.142 9.240 4.984 1.00 71.03 C ATOM 745 CD GLN A 46 10.111 8.795 6.077 1.00 64.21 C ATOM 746 OE1 GLN A 46 10.796 7.776 5.958 1.00 2.51 O ATOM 747 NE2 GLN A 46 10.200 9.540 7.156 1.00 72.22 N ATOM 0 H GLN A 46 7.131 9.652 3.049 1.00 54.25 H new ATOM 0 HA GLN A 46 7.982 7.121 3.935 1.00 14.35 H new ATOM 0 HB2 GLN A 46 7.041 9.619 5.353 1.00 1.03 H new ATOM 0 HB3 GLN A 46 7.664 8.210 6.189 1.00 1.03 H new ATOM 0 HG2 GLN A 46 9.481 8.855 4.022 1.00 71.03 H new ATOM 0 HG3 GLN A 46 9.152 10.328 4.914 1.00 71.03 H new ATOM 0 HE21 GLN A 46 9.629 10.381 7.244 1.00 72.22 H new ATOM 0 HE22 GLN A 46 10.840 9.278 7.905 1.00 72.22 H new ATOM 756 N CYS A 47 4.758 7.658 4.295 1.00 43.24 N ATOM 757 CA CYS A 47 3.480 6.976 4.390 1.00 44.42 C ATOM 758 C CYS A 47 3.435 5.835 3.379 1.00 2.22 C ATOM 759 O CYS A 47 3.352 4.670 3.769 1.00 63.24 O ATOM 760 CB CYS A 47 2.366 7.998 4.152 1.00 3.33 C ATOM 761 SG CYS A 47 0.743 7.337 4.465 1.00 22.35 S ATOM 0 H CYS A 47 4.667 8.653 4.089 1.00 43.24 H new ATOM 0 HA CYS A 47 3.342 6.540 5.379 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.530 8.864 4.794 1.00 3.33 H new ATOM 0 HB3 CYS A 47 2.417 8.351 3.122 1.00 3.33 H new ATOM 0 HG CYS A 47 0.182 7.012 3.338 1.00 22.35 H new ATOM 767 N LEU A 48 3.483 6.168 2.086 1.00 4.13 N ATOM 768 CA LEU A 48 3.243 5.226 0.998 1.00 3.12 C ATOM 769 C LEU A 48 4.229 4.053 1.065 1.00 50.02 C ATOM 770 O LEU A 48 3.839 2.916 0.803 1.00 33.14 O ATOM 771 CB LEU A 48 3.282 6.016 -0.324 1.00 72.14 C ATOM 772 CG LEU A 48 2.555 5.382 -1.528 1.00 60.44 C ATOM 773 CD1 LEU A 48 2.286 6.474 -2.573 1.00 73.51 C ATOM 774 CD2 LEU A 48 3.358 4.273 -2.216 1.00 44.04 C ATOM 0 H LEU A 48 3.693 7.113 1.765 1.00 4.13 H new ATOM 0 HA LEU A 48 2.260 4.761 1.079 1.00 3.12 H new ATOM 0 HB2 LEU A 48 2.851 7.001 -0.145 1.00 72.14 H new ATOM 0 HB3 LEU A 48 4.326 6.170 -0.598 1.00 72.14 H new ATOM 0 HG LEU A 48 1.640 4.937 -1.138 1.00 60.44 H new ATOM 0 HD11 LEU A 48 1.772 6.039 -3.430 1.00 73.51 H new ATOM 0 HD12 LEU A 48 1.663 7.253 -2.133 1.00 73.51 H new ATOM 0 HD13 LEU A 48 3.232 6.907 -2.899 1.00 73.51 H new ATOM 0 HD21 LEU A 48 2.785 3.874 -3.053 1.00 44.04 H new ATOM 0 HD22 LEU A 48 4.300 4.680 -2.583 1.00 44.04 H new ATOM 0 HD23 LEU A 48 3.561 3.475 -1.502 1.00 44.04 H new ATOM 786 N ILE A 49 5.489 4.275 1.454 1.00 4.15 N ATOM 787 CA ILE A 49 6.445 3.205 1.660 1.00 22.35 C ATOM 788 C ILE A 49 6.132 2.349 2.877 1.00 73.31 C ATOM 789 O ILE A 49 6.351 1.144 2.792 1.00 54.42 O ATOM 790 CB ILE A 49 7.907 3.683 1.695 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.265 4.553 2.909 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.242 4.329 0.337 1.00 45.11 C ATOM 793 CD1 ILE A 49 9.737 4.946 3.031 1.00 33.54 C ATOM 0 H ILE A 49 5.866 5.206 1.633 1.00 4.15 H new ATOM 0 HA ILE A 49 6.335 2.575 0.777 1.00 22.35 H new ATOM 0 HB ILE A 49 8.550 2.815 1.841 1.00 2.24 H new ATOM 0 HG12 ILE A 49 7.667 5.463 2.870 1.00 3.42 H new ATOM 0 HG13 ILE A 49 7.974 4.019 3.814 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.276 4.674 0.343 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.110 3.595 -0.458 1.00 45.11 H new ATOM 0 HG23 ILE A 49 7.578 5.176 0.163 1.00 45.11 H new ATOM 0 HD11 ILE A 49 9.877 5.558 3.922 1.00 33.54 H new ATOM 0 HD12 ILE A 49 10.348 4.047 3.109 1.00 33.54 H new ATOM 0 HD13 ILE A 49 10.036 5.513 2.150 1.00 33.54 H new ATOM 805 N LYS A 50 5.648 2.912 3.988 1.00 54.03 N ATOM 806 CA LYS A 50 5.246 2.131 5.135 1.00 10.45 C ATOM 807 C LYS A 50 4.116 1.218 4.688 1.00 65.14 C ATOM 808 O LYS A 50 4.181 0.019 4.914 1.00 21.01 O ATOM 809 CB LYS A 50 4.852 3.082 6.278 1.00 64.21 C ATOM 810 CG LYS A 50 5.874 3.136 7.428 1.00 11.34 C ATOM 811 CD LYS A 50 7.068 4.056 7.112 1.00 30.02 C ATOM 812 CE LYS A 50 8.162 4.004 8.186 1.00 53.21 C ATOM 813 NZ LYS A 50 9.023 2.814 8.052 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.529 3.918 4.106 1.00 54.03 H new ATOM 0 HA LYS A 50 6.052 1.507 5.521 1.00 10.45 H new ATOM 0 HB2 LYS A 50 4.722 4.086 5.873 1.00 64.21 H new ATOM 0 HB3 LYS A 50 3.886 2.772 6.678 1.00 64.21 H new ATOM 0 HG2 LYS A 50 5.379 3.486 8.334 1.00 11.34 H new ATOM 0 HG3 LYS A 50 6.239 2.130 7.633 1.00 11.34 H new ATOM 0 HD2 LYS A 50 7.496 3.771 6.151 1.00 30.02 H new ATOM 0 HD3 LYS A 50 6.713 5.082 7.011 1.00 30.02 H new ATOM 0 HE2 LYS A 50 8.775 4.903 8.120 1.00 53.21 H new ATOM 0 HE3 LYS A 50 7.699 4.005 9.173 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 9.746 2.823 8.799 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 8.444 1.955 8.141 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 9.487 2.824 7.121 1.00 51.25 H new ATOM 827 N ILE A 51 3.099 1.765 4.029 1.00 24.51 N ATOM 828 CA ILE A 51 1.942 1.004 3.588 1.00 1.44 C ATOM 829 C ILE A 51 2.393 -0.093 2.609 1.00 1.23 C ATOM 830 O ILE A 51 2.060 -1.261 2.812 1.00 42.41 O ATOM 831 CB ILE A 51 0.866 1.952 3.013 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.466 3.105 3.978 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.385 1.102 2.766 1.00 64.43 C ATOM 834 CD1 ILE A 51 0.080 4.413 3.273 1.00 62.13 C ATOM 0 H ILE A 51 3.057 2.755 3.786 1.00 24.51 H new ATOM 0 HA ILE A 51 1.472 0.497 4.431 1.00 1.44 H new ATOM 0 HB ILE A 51 1.274 2.414 2.114 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.373 2.775 4.591 1.00 72.01 H new ATOM 0 HG13 ILE A 51 1.298 3.302 4.654 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -1.177 1.730 2.358 1.00 64.43 H new ATOM 0 HG22 ILE A 51 -0.151 0.307 2.058 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.718 0.663 3.706 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.185 5.163 4.018 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.923 4.770 2.682 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -0.773 4.235 2.618 1.00 62.13 H new ATOM 846 N GLY A 52 3.153 0.261 1.570 1.00 60.25 N ATOM 847 CA GLY A 52 3.586 -0.658 0.528 1.00 12.12 C ATOM 848 C GLY A 52 4.468 -1.772 1.073 1.00 41.42 C ATOM 849 O GLY A 52 4.353 -2.927 0.647 1.00 1.12 O ATOM 0 H GLY A 52 3.488 1.214 1.432 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.712 -1.093 0.044 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.132 -0.106 -0.237 1.00 12.12 H new ATOM 853 N ASP A 53 5.355 -1.435 2.005 1.00 15.43 N ATOM 854 CA ASP A 53 6.241 -2.404 2.618 1.00 23.03 C ATOM 855 C ASP A 53 5.474 -3.300 3.576 1.00 4.51 C ATOM 856 O ASP A 53 5.650 -4.508 3.500 1.00 64.45 O ATOM 857 CB ASP A 53 7.400 -1.701 3.314 1.00 51.04 C ATOM 858 CG ASP A 53 8.477 -2.717 3.685 1.00 41.21 C ATOM 859 OD1 ASP A 53 9.130 -3.216 2.743 1.00 74.02 O1- ATOM 860 OD2 ASP A 53 8.698 -2.925 4.901 1.00 2.34 O ATOM 0 H ASP A 53 5.475 -0.483 2.352 1.00 15.43 H new ATOM 0 HA ASP A 53 6.659 -3.039 1.837 1.00 23.03 H new ATOM 0 HB2 ASP A 53 7.819 -0.937 2.659 1.00 51.04 H new ATOM 0 HB3 ASP A 53 7.043 -1.193 4.210 1.00 51.04 H new ATOM 865 N HIS A 54 4.569 -2.753 4.395 1.00 4.14 N ATOM 866 CA HIS A 54 3.733 -3.544 5.289 1.00 61.14 C ATOM 867 C HIS A 54 2.862 -4.525 4.507 1.00 71.00 C ATOM 868 O HIS A 54 2.715 -5.668 4.944 1.00 13.33 O ATOM 869 CB HIS A 54 2.855 -2.643 6.166 1.00 31.12 C ATOM 870 CG HIS A 54 3.485 -2.317 7.494 1.00 71.42 C ATOM 871 ND1 HIS A 54 4.113 -1.161 7.879 1.00 41.41 N flip ATOM 872 CD2 HIS A 54 3.474 -3.162 8.574 1.00 41.53 C flip ATOM 873 CE1 HIS A 54 4.436 -1.284 9.234 1.00 33.05 C flip ATOM 874 NE2 HIS A 54 4.045 -2.520 9.600 1.00 52.53 N flip ATOM 0 H HIS A 54 4.400 -1.749 4.453 1.00 4.14 H new ATOM 0 HA HIS A 54 4.399 -4.115 5.936 1.00 61.14 H new ATOM 0 HB2 HIS A 54 2.648 -1.716 5.631 1.00 31.12 H new ATOM 0 HB3 HIS A 54 1.897 -3.134 6.336 1.00 31.12 H new ATOM 0 HD2 HIS A 54 3.076 -4.166 8.593 1.00 41.53 H new ATOM 0 HE1 HIS A 54 4.904 -0.539 9.860 1.00 33.05 H new ATOM 0 HE2 HIS A 54 4.168 -2.913 10.533 1.00 52.53 H new ATOM 882 N ILE A 55 2.302 -4.108 3.366 1.00 14.30 N ATOM 883 CA ILE A 55 1.608 -4.999 2.451 1.00 11.25 C ATOM 884 C ILE A 55 2.571 -6.124 2.076 1.00 40.53 C ATOM 885 O ILE A 55 2.266 -7.291 2.305 1.00 21.05 O ATOM 886 CB ILE A 55 1.054 -4.209 1.244 1.00 51.10 C ATOM 887 CG1 ILE A 55 -0.167 -3.373 1.679 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.674 -5.105 0.054 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.663 -2.401 0.605 1.00 63.25 C ATOM 0 H ILE A 55 2.322 -3.136 3.057 1.00 14.30 H new ATOM 0 HA ILE A 55 0.732 -5.452 2.915 1.00 11.25 H new ATOM 0 HB ILE A 55 1.858 -3.557 0.902 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.980 -4.047 1.949 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.091 -2.809 2.575 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.292 -4.488 -0.759 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.554 -5.650 -0.287 1.00 13.04 H new ATOM 0 HG23 ILE A 55 -0.094 -5.814 0.363 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.523 -1.849 0.983 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.134 -1.702 0.351 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.953 -2.959 -0.285 1.00 63.25 H new ATOM 901 N THR A 56 3.721 -5.788 1.502 1.00 5.22 N ATOM 902 CA THR A 56 4.649 -6.768 0.955 1.00 13.14 C ATOM 903 C THR A 56 5.166 -7.743 2.042 1.00 44.41 C ATOM 904 O THR A 56 5.320 -8.947 1.784 1.00 3.10 O ATOM 905 CB THR A 56 5.733 -5.995 0.183 1.00 23.42 C ATOM 906 OG1 THR A 56 5.122 -5.085 -0.729 1.00 70.12 O ATOM 907 CG2 THR A 56 6.601 -6.918 -0.663 1.00 44.22 C ATOM 0 H THR A 56 4.036 -4.823 1.403 1.00 5.22 H new ATOM 0 HA THR A 56 4.157 -7.437 0.249 1.00 13.14 H new ATOM 0 HB THR A 56 6.341 -5.487 0.932 1.00 23.42 H new ATOM 0 HG1 THR A 56 4.974 -4.225 -0.283 1.00 70.12 H new ATOM 0 HG21 THR A 56 7.352 -6.329 -1.190 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.096 -7.644 -0.018 1.00 44.22 H new ATOM 0 HG23 THR A 56 5.977 -7.442 -1.387 1.00 44.22 H new ATOM 915 N GLU A 57 5.351 -7.247 3.267 1.00 33.02 N ATOM 916 CA GLU A 57 5.786 -7.997 4.433 1.00 24.11 C ATOM 917 C GLU A 57 4.704 -8.921 4.991 1.00 32.24 C ATOM 918 O GLU A 57 5.035 -9.890 5.672 1.00 3.40 O ATOM 919 CB GLU A 57 6.290 -7.032 5.524 1.00 61.11 C ATOM 920 CG GLU A 57 7.773 -6.671 5.345 1.00 73.54 C ATOM 921 CD GLU A 57 8.666 -7.918 5.299 1.00 61.31 C ATOM 922 OE1 GLU A 57 8.636 -8.712 6.270 1.00 10.24 O1- ATOM 923 OE2 GLU A 57 9.300 -8.138 4.237 1.00 1.40 O ATOM 0 H GLU A 57 5.192 -6.262 3.477 1.00 33.02 H new ATOM 0 HA GLU A 57 6.602 -8.642 4.108 1.00 24.11 H new ATOM 0 HB2 GLU A 57 5.692 -6.121 5.504 1.00 61.11 H new ATOM 0 HB3 GLU A 57 6.145 -7.487 6.504 1.00 61.11 H new ATOM 0 HG2 GLU A 57 7.899 -6.101 4.425 1.00 73.54 H new ATOM 0 HG3 GLU A 57 8.091 -6.027 6.165 1.00 73.54 H new ATOM 930 N CYS A 58 3.430 -8.665 4.708 1.00 11.34 N ATOM 931 CA CYS A 58 2.354 -9.609 4.972 1.00 0.31 C ATOM 932 C CYS A 58 2.292 -10.651 3.857 1.00 73.23 C ATOM 933 O CYS A 58 2.229 -11.850 4.113 1.00 13.34 O ATOM 934 CB CYS A 58 1.040 -8.836 5.062 1.00 31.54 C ATOM 935 SG CYS A 58 0.959 -8.055 6.696 1.00 43.24 S ATOM 0 H CYS A 58 3.116 -7.791 4.287 1.00 11.34 H new ATOM 0 HA CYS A 58 2.532 -10.130 5.912 1.00 0.31 H new ATOM 0 HB2 CYS A 58 0.987 -8.082 4.276 1.00 31.54 H new ATOM 0 HB3 CYS A 58 0.193 -9.507 4.918 1.00 31.54 H new ATOM 0 HG CYS A 58 0.106 -7.074 6.666 1.00 43.24 H new ATOM 941 N LEU A 59 2.306 -10.196 2.608 1.00 64.12 N ATOM 942 CA LEU A 59 2.168 -11.036 1.428 1.00 53.20 C ATOM 943 C LEU A 59 3.289 -12.062 1.325 1.00 72.32 C ATOM 944 O LEU A 59 3.048 -13.100 0.711 1.00 72.00 O ATOM 945 CB LEU A 59 2.199 -10.192 0.150 1.00 14.43 C ATOM 946 CG LEU A 59 1.069 -9.170 -0.001 1.00 53.24 C ATOM 947 CD1 LEU A 59 1.444 -8.214 -1.133 1.00 71.42 C ATOM 948 CD2 LEU A 59 -0.258 -9.863 -0.279 1.00 3.53 C ATOM 0 H LEU A 59 2.417 -9.207 2.385 1.00 64.12 H new ATOM 0 HA LEU A 59 1.211 -11.547 1.530 1.00 53.20 H new ATOM 0 HB2 LEU A 59 3.151 -9.662 0.110 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.172 -10.864 -0.708 1.00 14.43 H new ATOM 0 HG LEU A 59 0.943 -8.611 0.926 1.00 53.24 H new ATOM 0 HD11 LEU A 59 0.654 -7.474 -1.261 1.00 71.42 H new ATOM 0 HD12 LEU A 59 2.378 -7.708 -0.888 1.00 71.42 H new ATOM 0 HD13 LEU A 59 1.568 -8.777 -2.058 1.00 71.42 H new ATOM 0 HD21 LEU A 59 -1.044 -9.115 -0.382 1.00 3.53 H new ATOM 0 HD22 LEU A 59 -0.182 -10.439 -1.201 1.00 3.53 H new ATOM 0 HD23 LEU A 59 -0.499 -10.532 0.547 1.00 3.53 H new ATOM 960 N LYS A 60 4.505 -11.808 1.840 1.00 42.43 N ATOM 961 CA LYS A 60 5.527 -12.858 1.813 1.00 35.12 C ATOM 962 C LYS A 60 5.150 -14.074 2.660 1.00 40.54 C ATOM 963 O LYS A 60 5.750 -15.129 2.453 1.00 41.41 O ATOM 964 CB LYS A 60 6.891 -12.321 2.251 1.00 54.12 C ATOM 965 CG LYS A 60 6.913 -12.101 3.768 1.00 34.15 C ATOM 966 CD LYS A 60 7.871 -11.003 4.175 1.00 11.14 C ATOM 967 CE LYS A 60 9.322 -11.424 4.428 1.00 52.11 C ATOM 968 NZ LYS A 60 10.130 -11.647 3.219 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.792 -10.925 2.261 1.00 42.43 H new ATOM 0 HA LYS A 60 5.590 -13.187 0.776 1.00 35.12 H new ATOM 0 HB2 LYS A 60 7.674 -13.024 1.967 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.102 -11.383 1.737 1.00 54.12 H new ATOM 0 HG2 LYS A 60 5.909 -11.850 4.111 1.00 34.15 H new ATOM 0 HG3 LYS A 60 7.196 -13.030 4.264 1.00 34.15 H new ATOM 0 HD2 LYS A 60 7.867 -10.240 3.396 1.00 11.14 H new ATOM 0 HD3 LYS A 60 7.488 -10.534 5.082 1.00 11.14 H new ATOM 0 HE2 LYS A 60 9.806 -10.657 5.032 1.00 52.11 H new ATOM 0 HE3 LYS A 60 9.320 -12.340 5.018 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 11.093 -11.927 3.492 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 9.699 -12.401 2.648 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 10.170 -10.770 2.661 1.00 72.35 H new ATOM 982 N GLU A 61 4.225 -13.927 3.617 1.00 54.21 N ATOM 983 CA GLU A 61 3.881 -15.032 4.498 1.00 54.40 C ATOM 984 C GLU A 61 3.221 -16.129 3.678 1.00 62.01 C ATOM 985 O GLU A 61 3.468 -17.309 3.927 1.00 3.42 O ATOM 986 CB GLU A 61 2.965 -14.612 5.664 1.00 64.41 C ATOM 987 CG GLU A 61 3.326 -15.395 6.945 1.00 21.14 C ATOM 988 CD GLU A 61 2.126 -15.941 7.731 1.00 34.24 C ATOM 989 OE1 GLU A 61 1.500 -15.192 8.520 1.00 63.12 O1- ATOM 990 OE2 GLU A 61 1.817 -17.151 7.589 1.00 3.14 O ATOM 0 H GLU A 61 3.712 -13.063 3.794 1.00 54.21 H new ATOM 0 HA GLU A 61 4.804 -15.394 4.951 1.00 54.40 H new ATOM 0 HB2 GLU A 61 3.064 -13.542 5.845 1.00 64.41 H new ATOM 0 HB3 GLU A 61 1.923 -14.795 5.400 1.00 64.41 H new ATOM 0 HG2 GLU A 61 3.973 -16.229 6.673 1.00 21.14 H new ATOM 0 HG3 GLU A 61 3.904 -14.744 7.600 1.00 21.14 H new ATOM 997 N TYR A 62 2.417 -15.757 2.676 1.00 60.23 N ATOM 998 CA TYR A 62 1.805 -16.776 1.845 1.00 13.04 C ATOM 999 C TYR A 62 2.866 -17.452 0.979 1.00 13.02 C ATOM 1000 O TYR A 62 3.830 -16.823 0.529 1.00 51.53 O ATOM 1001 CB TYR A 62 0.660 -16.222 1.000 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.259 -15.265 1.734 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -0.931 -15.723 2.878 1.00 33.43 C ATOM 1004 CD2 TYR A 62 -0.406 -13.923 1.328 1.00 21.24 C ATOM 1005 CE1 TYR A 62 -1.760 -14.866 3.616 1.00 41.42 C ATOM 1006 CE2 TYR A 62 -1.247 -13.062 2.063 1.00 62.34 C ATOM 1007 CZ TYR A 62 -1.941 -13.531 3.202 1.00 11.34 C ATOM 1008 OH TYR A 62 -2.784 -12.699 3.875 1.00 10.34 O ATOM 0 H TYR A 62 2.186 -14.793 2.433 1.00 60.23 H new ATOM 0 HA TYR A 62 1.364 -17.525 2.503 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.079 -15.710 0.134 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.068 -17.056 0.622 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.808 -16.748 3.194 1.00 33.43 H new ATOM 0 HD2 TYR A 62 0.122 -13.557 0.460 1.00 21.24 H new ATOM 0 HE1 TYR A 62 -2.260 -15.229 4.502 1.00 41.42 H new ATOM 0 HE2 TYR A 62 -1.362 -12.034 1.753 1.00 62.34 H new ATOM 0 HH TYR A 62 -2.782 -11.817 3.449 1.00 10.34 H new ATOM 1018 N THR A 63 2.638 -18.731 0.699 1.00 43.11 N ATOM 1019 CA THR A 63 3.542 -19.592 -0.045 1.00 35.33 C ATOM 1020 C THR A 63 2.897 -20.040 -1.366 1.00 12.01 C ATOM 1021 O THR A 63 3.605 -20.203 -2.360 1.00 41.13 O ATOM 1022 CB THR A 63 4.093 -20.689 0.882 1.00 2.33 C ATOM 1023 OG1 THR A 63 4.953 -21.601 0.232 1.00 32.45 O ATOM 1024 CG2 THR A 63 2.982 -21.456 1.568 1.00 31.03 C ATOM 0 H THR A 63 1.788 -19.211 0.996 1.00 43.11 H new ATOM 0 HA THR A 63 4.431 -19.056 -0.377 1.00 35.33 H new ATOM 0 HB THR A 63 4.682 -20.153 1.626 1.00 2.33 H new ATOM 0 HG1 THR A 63 5.268 -22.269 0.876 1.00 32.45 H new ATOM 0 HG21 THR A 63 3.413 -22.221 2.213 1.00 31.03 H new ATOM 0 HG22 THR A 63 2.383 -20.771 2.168 1.00 31.03 H new ATOM 0 HG23 THR A 63 2.349 -21.929 0.817 1.00 31.03 H new ATOM 1032 N ASN A 64 1.568 -20.187 -1.414 1.00 22.12 N ATOM 1033 CA ASN A 64 0.840 -20.599 -2.614 1.00 20.34 C ATOM 1034 C ASN A 64 0.891 -19.468 -3.643 1.00 62.22 C ATOM 1035 O ASN A 64 0.774 -18.301 -3.257 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.629 -20.923 -2.281 1.00 73.21 C ATOM 1037 CG ASN A 64 -0.765 -22.235 -1.529 1.00 21.22 C ATOM 1038 OD1 ASN A 64 -0.439 -22.313 -0.345 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -1.228 -23.279 -2.187 1.00 53.22 N ATOM 0 H ASN A 64 0.963 -20.021 -0.610 1.00 22.12 H new ATOM 0 HA ASN A 64 1.308 -21.497 -3.017 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -1.052 -20.116 -1.682 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -1.208 -20.972 -3.203 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -1.323 -24.178 -1.715 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -1.491 -23.188 -3.168 1.00 53.22 H new ATOM 1046 N PRO A 65 0.971 -19.778 -4.950 1.00 2.25 N ATOM 1047 CA PRO A 65 1.143 -18.768 -5.990 1.00 15.53 C ATOM 1048 C PRO A 65 -0.089 -17.874 -6.109 1.00 14.03 C ATOM 1049 O PRO A 65 0.027 -16.662 -6.297 1.00 64.50 O ATOM 1050 CB PRO A 65 1.392 -19.546 -7.283 1.00 31.12 C ATOM 1051 CG PRO A 65 0.698 -20.881 -7.030 1.00 31.01 C ATOM 1052 CD PRO A 65 0.934 -21.110 -5.540 1.00 54.11 C ATOM 0 HA PRO A 65 1.972 -18.099 -5.760 1.00 15.53 H new ATOM 0 HB2 PRO A 65 0.973 -19.033 -8.148 1.00 31.12 H new ATOM 0 HB3 PRO A 65 2.457 -19.677 -7.475 1.00 31.12 H new ATOM 0 HG2 PRO A 65 -0.365 -20.836 -7.269 1.00 31.01 H new ATOM 0 HG3 PRO A 65 1.127 -21.680 -7.635 1.00 31.01 H new ATOM 0 HD2 PRO A 65 0.137 -21.712 -5.103 1.00 54.11 H new ATOM 0 HD3 PRO A 65 1.869 -21.644 -5.367 1.00 54.11 H new ATOM 1060 N GLU A 66 -1.281 -18.460 -6.001 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.500 -17.692 -6.124 1.00 32.01 C ATOM 1062 C GLU A 66 -2.734 -16.865 -4.868 1.00 34.31 C ATOM 1063 O GLU A 66 -3.143 -15.726 -5.027 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.666 -18.592 -6.541 1.00 33.45 C ATOM 1065 CG GLU A 66 -3.594 -18.779 -8.063 1.00 24.12 C ATOM 1066 CD GLU A 66 -4.570 -19.830 -8.569 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -5.805 -19.620 -8.498 1.00 0.13 O ATOM 1068 OE2 GLU A 66 -4.105 -20.865 -9.093 1.00 45.54 O1- ATOM 0 H GLU A 66 -1.419 -19.456 -5.830 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.408 -16.964 -6.930 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -3.605 -19.555 -6.035 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -4.617 -18.142 -6.256 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -3.804 -17.828 -8.553 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -2.580 -19.065 -8.343 1.00 24.12 H new ATOM 1075 N GLN A 67 -2.380 -17.304 -3.652 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.416 -16.442 -2.498 1.00 44.41 C ATOM 1077 C GLN A 67 -1.513 -15.235 -2.689 1.00 71.14 C ATOM 1078 O GLN A 67 -2.020 -14.122 -2.611 1.00 63.51 O ATOM 1079 CB GLN A 67 -2.006 -17.228 -1.262 1.00 53.35 C ATOM 1080 CG GLN A 67 -3.228 -17.768 -0.536 1.00 13.40 C ATOM 1081 CD GLN A 67 -2.843 -18.616 0.669 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -2.500 -19.778 0.499 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -2.853 -18.094 1.883 1.00 3.24 N ATOM 0 H GLN A 67 -2.067 -18.255 -3.458 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.434 -16.075 -2.367 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.354 -18.053 -1.550 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -1.433 -16.588 -0.592 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -3.854 -16.937 -0.210 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -3.825 -18.366 -1.225 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -3.140 -17.125 2.019 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -2.574 -18.660 2.684 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.208 -15.411 -2.929 1.00 1.22 N ATOM 1093 CA ILE A 68 0.690 -14.265 -3.080 1.00 12.50 C ATOM 1094 C ILE A 68 0.156 -13.317 -4.170 1.00 71.12 C ATOM 1095 O ILE A 68 0.139 -12.102 -3.977 1.00 55.41 O ATOM 1096 CB ILE A 68 2.172 -14.685 -3.256 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.486 -15.625 -4.428 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.661 -15.392 -1.989 1.00 13.44 C ATOM 1099 CD1 ILE A 68 2.789 -14.888 -5.733 1.00 33.44 C ATOM 0 H ILE A 68 0.242 -16.322 -3.021 1.00 1.22 H new ATOM 0 HA ILE A 68 0.696 -13.697 -2.150 1.00 12.50 H new ATOM 0 HB ILE A 68 2.679 -13.743 -3.464 1.00 33.42 H new ATOM 0 HG12 ILE A 68 3.340 -16.249 -4.165 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.639 -16.293 -4.585 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.703 -15.686 -2.116 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.576 -14.715 -1.139 1.00 13.44 H new ATOM 0 HG23 ILE A 68 2.053 -16.279 -1.809 1.00 13.44 H new ATOM 0 HD11 ILE A 68 3.002 -15.613 -6.519 1.00 33.44 H new ATOM 0 HD12 ILE A 68 1.927 -14.285 -6.019 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.654 -14.240 -5.593 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.360 -13.847 -5.286 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.774 -13.041 -6.431 1.00 12.30 C ATOM 1113 C LYS A 69 -2.150 -12.407 -6.243 1.00 53.31 C ATOM 1114 O LYS A 69 -2.374 -11.300 -6.733 1.00 62.25 O ATOM 1115 CB LYS A 69 -0.722 -13.935 -7.675 1.00 34.45 C ATOM 1116 CG LYS A 69 -0.980 -13.168 -8.975 1.00 41.45 C ATOM 1117 CD LYS A 69 -0.469 -13.997 -10.152 1.00 30.22 C ATOM 1118 CE LYS A 69 -0.797 -13.334 -11.486 1.00 41.34 C ATOM 1119 NZ LYS A 69 -0.149 -14.039 -12.607 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.501 -14.849 -5.416 1.00 64.12 H new ATOM 0 HA LYS A 69 -0.091 -12.199 -6.543 1.00 12.30 H new ATOM 0 HB2 LYS A 69 0.255 -14.414 -7.730 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.462 -14.730 -7.576 1.00 34.45 H new ATOM 0 HG2 LYS A 69 -2.046 -12.969 -9.089 1.00 41.45 H new ATOM 0 HG3 LYS A 69 -0.476 -12.202 -8.948 1.00 41.45 H new ATOM 0 HD2 LYS A 69 0.610 -14.128 -10.065 1.00 30.22 H new ATOM 0 HD3 LYS A 69 -0.915 -14.991 -10.119 1.00 30.22 H new ATOM 0 HE2 LYS A 69 -1.877 -13.325 -11.635 1.00 41.34 H new ATOM 0 HE3 LYS A 69 -0.469 -12.295 -11.469 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 -0.390 -13.565 -13.501 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 0.883 -14.026 -12.476 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 -0.482 -15.024 -12.636 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.096 -13.087 -5.605 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.435 -12.587 -5.349 1.00 72.22 C ATOM 1135 C GLN A 70 -4.370 -11.618 -4.186 1.00 73.44 C ATOM 1136 O GLN A 70 -4.805 -10.482 -4.345 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.414 -13.734 -5.056 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.885 -13.290 -5.012 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.333 -12.598 -6.297 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -7.264 -13.176 -7.379 1.00 54.22 O ATOM 1141 NE2 GLN A 70 -7.743 -11.342 -6.238 1.00 61.54 N ATOM 0 H GLN A 70 -2.945 -14.028 -5.243 1.00 15.42 H new ATOM 0 HA GLN A 70 -4.807 -12.075 -6.236 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.298 -14.504 -5.819 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -5.152 -14.190 -4.101 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -7.517 -14.160 -4.834 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -7.030 -12.613 -4.170 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -7.799 -10.866 -5.338 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -8.003 -10.850 -7.093 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.805 -12.026 -3.045 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.686 -11.161 -1.894 1.00 1.41 C ATOM 1152 C TRP A 71 -2.925 -9.893 -2.246 1.00 43.13 C ATOM 1153 O TRP A 71 -3.308 -8.838 -1.749 1.00 3.23 O ATOM 1154 CB TRP A 71 -3.070 -11.871 -0.688 1.00 34.40 C ATOM 1155 CG TRP A 71 -3.998 -12.796 0.033 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.830 -14.122 0.242 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -5.227 -12.434 0.724 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.865 -14.596 1.028 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.769 -13.601 1.333 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.921 -11.222 0.915 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.960 -13.574 2.072 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -7.108 -11.174 1.662 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.634 -12.351 2.226 1.00 10.30 C ATOM 0 H TRP A 71 -3.423 -12.961 -2.906 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.697 -10.879 -1.599 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -2.201 -12.438 -1.022 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.710 -11.119 0.014 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -3.016 -14.717 -0.144 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -4.949 -15.563 1.343 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.532 -10.314 0.479 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.352 -14.477 2.515 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.618 -10.233 1.804 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.560 -12.314 2.780 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.913 -9.952 -3.127 1.00 1.43 N ATOM 1175 CA ARG A 72 -1.197 -8.729 -3.499 1.00 44.24 C ATOM 1176 C ARG A 72 -2.168 -7.691 -4.044 1.00 25.40 C ATOM 1177 O ARG A 72 -2.213 -6.567 -3.544 1.00 72.43 O ATOM 1178 CB ARG A 72 -0.028 -8.980 -4.465 1.00 20.22 C ATOM 1179 CG ARG A 72 0.701 -7.653 -4.754 1.00 24.51 C ATOM 1180 CD ARG A 72 2.090 -7.865 -5.348 1.00 4.10 C ATOM 1181 NE ARG A 72 2.044 -8.345 -6.739 1.00 14.41 N ATOM 1182 CZ ARG A 72 3.113 -8.795 -7.407 1.00 35.32 C ATOM 1183 NH1 ARG A 72 4.287 -8.890 -6.789 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 2.996 -9.126 -8.688 1.00 74.24 N ATOM 0 H ARG A 72 -1.583 -10.804 -3.580 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.743 -8.336 -2.589 1.00 44.24 H new ATOM 0 HB2 ARG A 72 0.666 -9.701 -4.032 1.00 20.22 H new ATOM 0 HB3 ARG A 72 -0.398 -9.413 -5.394 1.00 20.22 H new ATOM 0 HG2 ARG A 72 0.103 -7.056 -5.442 1.00 24.51 H new ATOM 0 HG3 ARG A 72 0.788 -7.082 -3.830 1.00 24.51 H new ATOM 0 HD2 ARG A 72 2.645 -6.927 -5.309 1.00 4.10 H new ATOM 0 HD3 ARG A 72 2.636 -8.584 -4.737 1.00 4.10 H new ATOM 0 HE ARG A 72 1.145 -8.334 -7.222 1.00 14.41 H new ATOM 0 HH11 ARG A 72 4.371 -8.620 -5.809 1.00 54.04 H new ATOM 0 HH12 ARG A 72 5.104 -9.233 -7.295 1.00 54.04 H new ATOM 0 HH21 ARG A 72 2.095 -9.037 -9.158 1.00 74.24 H new ATOM 0 HH22 ARG A 72 3.807 -9.469 -9.202 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.931 -8.044 -5.084 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.907 -7.109 -5.628 1.00 2.53 C ATOM 1200 C LYS A 73 -4.996 -6.816 -4.601 1.00 1.23 C ATOM 1201 O LYS A 73 -5.371 -5.660 -4.490 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.436 -7.523 -7.014 1.00 34.23 C ATOM 1203 CG LYS A 73 -4.978 -8.955 -7.138 1.00 63.11 C ATOM 1204 CD LYS A 73 -5.328 -9.257 -8.603 1.00 42.23 C ATOM 1205 CE LYS A 73 -5.564 -10.747 -8.874 1.00 22.32 C ATOM 1206 NZ LYS A 73 -4.306 -11.520 -8.904 1.00 41.12 N1+ ATOM 0 H LYS A 73 -2.891 -8.949 -5.553 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.398 -6.165 -5.821 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -5.230 -6.832 -7.297 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -3.631 -7.398 -7.738 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -4.235 -9.667 -6.778 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -5.862 -9.074 -6.512 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -6.223 -8.698 -8.878 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -4.521 -8.902 -9.243 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -6.219 -11.154 -8.104 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -6.081 -10.863 -9.826 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -4.524 -12.536 -8.954 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -3.748 -11.244 -9.737 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -3.759 -11.326 -8.041 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.460 -7.792 -3.816 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.504 -7.576 -2.817 1.00 31.13 C ATOM 1222 C ASN A 74 -6.109 -6.467 -1.838 1.00 50.53 C ATOM 1223 O ASN A 74 -6.934 -5.601 -1.546 1.00 74.44 O ATOM 1224 CB ASN A 74 -6.810 -8.853 -2.014 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.544 -9.954 -2.763 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -8.054 -9.761 -3.860 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -7.643 -11.133 -2.170 1.00 4.44 N ATOM 0 H ASN A 74 -5.121 -8.753 -3.857 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.398 -7.284 -3.368 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -5.869 -9.259 -1.643 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.403 -8.576 -1.142 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -8.148 -11.893 -2.626 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -7.214 -11.282 -1.257 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.890 -6.507 -1.294 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.392 -5.520 -0.335 1.00 4.53 C ATOM 1236 C LEU A 75 -4.234 -4.159 -1.016 1.00 24.52 C ATOM 1237 O LEU A 75 -4.741 -3.165 -0.501 1.00 41.55 O ATOM 1238 CB LEU A 75 -3.081 -5.996 0.323 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.305 -6.748 1.656 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -4.126 -8.035 1.500 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -1.965 -7.117 2.303 1.00 54.21 C ATOM 0 H LEU A 75 -4.212 -7.237 -1.511 1.00 65.10 H new ATOM 0 HA LEU A 75 -5.122 -5.409 0.467 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.551 -6.649 -0.370 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.439 -5.134 0.503 1.00 10.04 H new ATOM 0 HG LEU A 75 -3.867 -6.058 2.285 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -4.245 -8.511 2.473 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -5.108 -7.793 1.092 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -3.610 -8.716 0.823 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -2.146 -7.645 3.239 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -1.400 -7.759 1.628 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -1.395 -6.209 2.503 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.592 -4.103 -2.185 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.448 -2.856 -2.927 1.00 2.42 C ATOM 1255 C TRP A 76 -4.803 -2.235 -3.304 1.00 30.11 C ATOM 1256 O TRP A 76 -4.921 -1.011 -3.306 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.550 -3.091 -4.152 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.076 -3.055 -3.856 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.180 -4.065 -3.935 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.315 -1.907 -3.391 1.00 74.43 C ATOM 1261 NE1 TRP A 76 1.078 -3.617 -3.559 1.00 61.30 N ATOM 1262 CE2 TRP A 76 1.052 -2.274 -3.235 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.675 -0.588 -3.068 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 2.022 -1.352 -2.808 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 0.287 0.352 -2.656 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.635 -0.027 -2.525 1.00 33.11 C ATOM 0 H TRP A 76 -3.164 -4.911 -2.636 1.00 13.51 H new ATOM 0 HA TRP A 76 -2.967 -2.123 -2.279 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -2.797 -4.059 -4.589 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -2.776 -2.335 -4.904 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.410 -5.073 -4.246 1.00 3.24 H new ATOM 0 HE1 TRP A 76 1.913 -4.202 -3.526 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -1.711 -0.290 -3.137 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 3.053 -1.655 -2.698 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.010 1.367 -2.440 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.372 0.696 -2.208 1.00 33.11 H new ATOM 1277 N ILE A 77 -5.824 -3.041 -3.607 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.189 -2.578 -3.861 1.00 32.02 C ATOM 1279 C ILE A 77 -7.768 -2.033 -2.563 1.00 35.11 C ATOM 1280 O ILE A 77 -8.318 -0.937 -2.570 1.00 41.01 O ATOM 1281 CB ILE A 77 -8.053 -3.717 -4.458 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.568 -3.970 -5.899 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.556 -3.379 -4.479 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -8.068 -5.280 -6.525 1.00 32.44 C ATOM 0 H ILE A 77 -5.722 -4.053 -3.684 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.183 -1.778 -4.601 1.00 32.02 H new ATOM 0 HB ILE A 77 -7.938 -4.600 -3.829 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -7.888 -3.138 -6.527 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.478 -3.973 -5.905 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -10.111 -4.214 -4.908 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -9.902 -3.197 -3.462 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.720 -2.486 -5.083 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.676 -5.372 -7.538 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.726 -6.124 -5.926 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -9.158 -5.276 -6.556 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.647 -2.793 -1.473 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.172 -2.405 -0.166 1.00 71.52 C ATOM 1298 C PHE A 78 -7.732 -0.986 0.182 1.00 63.24 C ATOM 1299 O PHE A 78 -8.581 -0.161 0.525 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.758 -3.387 0.942 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.250 -2.972 2.318 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.621 -3.065 2.611 1.00 11.10 C ATOM 1303 CD2 PHE A 78 -7.357 -2.511 3.307 1.00 64.41 C ATOM 1304 CE1 PHE A 78 -10.113 -2.680 3.868 1.00 12.10 C ATOM 1305 CE2 PHE A 78 -7.857 -2.107 4.560 1.00 14.45 C ATOM 1306 CZ PHE A 78 -9.231 -2.187 4.840 1.00 25.55 C ATOM 0 H PHE A 78 -7.179 -3.699 -1.474 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.260 -2.435 -0.230 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.148 -4.377 0.706 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.671 -3.468 0.960 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.304 -3.437 1.861 1.00 11.10 H new ATOM 0 HD2 PHE A 78 -6.297 -2.468 3.105 1.00 64.41 H new ATOM 0 HE1 PHE A 78 -11.168 -2.763 4.086 1.00 12.10 H new ATOM 0 HE2 PHE A 78 -7.178 -1.733 5.312 1.00 14.45 H new ATOM 0 HZ PHE A 78 -9.607 -1.870 5.801 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.432 -0.710 0.082 1.00 42.13 N ATOM 1317 CA VAL A 79 -5.913 0.611 0.381 1.00 72.11 C ATOM 1318 C VAL A 79 -6.366 1.617 -0.669 1.00 63.14 C ATOM 1319 O VAL A 79 -6.764 2.712 -0.294 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.385 0.598 0.537 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.929 2.019 0.874 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -3.994 -0.354 1.675 1.00 22.13 C ATOM 0 H VAL A 79 -5.725 -1.387 -0.204 1.00 42.13 H new ATOM 0 HA VAL A 79 -6.324 0.924 1.341 1.00 72.11 H new ATOM 0 HB VAL A 79 -3.912 0.259 -0.384 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.845 2.035 0.990 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -4.218 2.694 0.069 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -4.398 2.341 1.804 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.910 -0.363 1.785 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.451 -0.016 2.605 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.344 -1.360 1.444 1.00 22.13 H new ATOM 1332 N SER A 80 -6.336 1.272 -1.957 1.00 34.12 N ATOM 1333 CA SER A 80 -6.692 2.196 -3.019 1.00 61.41 C ATOM 1334 C SER A 80 -8.103 2.793 -2.883 1.00 21.53 C ATOM 1335 O SER A 80 -8.339 3.871 -3.425 1.00 43.34 O ATOM 1336 CB SER A 80 -6.507 1.485 -4.353 1.00 54.34 C ATOM 1337 OG SER A 80 -6.905 2.329 -5.408 1.00 43.03 O ATOM 0 H SER A 80 -6.064 0.346 -2.286 1.00 34.12 H new ATOM 0 HA SER A 80 -6.028 3.058 -2.951 1.00 61.41 H new ATOM 0 HB2 SER A 80 -5.463 1.198 -4.480 1.00 54.34 H new ATOM 0 HB3 SER A 80 -7.094 0.567 -4.370 1.00 54.34 H new ATOM 0 HG SER A 80 -6.394 3.164 -5.370 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.044 2.137 -2.193 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.337 2.766 -1.910 1.00 53.15 C ATOM 1345 C LYS A 81 -10.123 3.980 -1.008 1.00 44.31 C ATOM 1346 O LYS A 81 -10.588 5.075 -1.325 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.326 1.765 -1.290 1.00 41.41 C ATOM 1348 CG LYS A 81 -12.108 0.987 -2.357 1.00 35.41 C ATOM 1349 CD LYS A 81 -11.330 -0.175 -2.978 1.00 70.23 C ATOM 1350 CE LYS A 81 -12.100 -0.804 -4.141 1.00 21.01 C ATOM 1351 NZ LYS A 81 -11.955 0.009 -5.367 1.00 70.41 N1+ ATOM 0 H LYS A 81 -8.938 1.191 -1.827 1.00 14.35 H new ATOM 0 HA LYS A 81 -10.781 3.100 -2.848 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.782 1.064 -0.657 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -12.025 2.299 -0.646 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -13.024 0.600 -1.911 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -12.405 1.675 -3.148 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -10.362 0.181 -3.331 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -11.134 -0.931 -2.218 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -11.732 -1.814 -4.323 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -13.155 -0.892 -3.880 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -12.485 -0.436 -6.143 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -12.328 0.965 -5.196 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -10.950 0.071 -5.626 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.384 3.783 0.080 1.00 71.53 N ATOM 1366 CA PHE A 82 -8.926 4.794 1.015 1.00 3.11 C ATOM 1367 C PHE A 82 -7.803 5.684 0.450 1.00 61.04 C ATOM 1368 O PHE A 82 -6.891 6.039 1.196 1.00 45.15 O ATOM 1369 CB PHE A 82 -8.445 4.081 2.287 1.00 72.45 C ATOM 1370 CG PHE A 82 -9.521 3.503 3.171 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -10.069 2.243 2.886 1.00 43.53 C ATOM 1372 CD2 PHE A 82 -9.902 4.194 4.336 1.00 61.03 C ATOM 1373 CE1 PHE A 82 -10.999 1.675 3.766 1.00 11.10 C ATOM 1374 CE2 PHE A 82 -10.813 3.612 5.231 1.00 43.31 C ATOM 1375 CZ PHE A 82 -11.365 2.351 4.946 1.00 61.24 C ATOM 0 H PHE A 82 -9.071 2.849 0.345 1.00 71.53 H new ATOM 0 HA PHE A 82 -9.760 5.463 1.225 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.772 3.275 1.995 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.860 4.787 2.876 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -9.775 1.713 1.992 1.00 43.53 H new ATOM 0 HD2 PHE A 82 -9.493 5.172 4.541 1.00 61.03 H new ATOM 0 HE1 PHE A 82 -11.437 0.714 3.539 1.00 11.10 H new ATOM 0 HE2 PHE A 82 -11.089 4.132 6.137 1.00 43.31 H new ATOM 0 HZ PHE A 82 -12.069 1.901 5.631 1.00 61.24 H new ATOM 1385 N THR A 83 -7.810 6.056 -0.830 1.00 61.12 N ATOM 1386 CA THR A 83 -6.990 7.162 -1.304 1.00 12.22 C ATOM 1387 C THR A 83 -7.500 7.622 -2.668 1.00 51.24 C ATOM 1388 O THR A 83 -8.339 6.965 -3.285 1.00 21.11 O ATOM 1389 CB THR A 83 -5.490 6.781 -1.294 1.00 21.14 C ATOM 1390 OG1 THR A 83 -4.675 7.836 -1.760 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.182 5.493 -2.053 1.00 21.44 C ATOM 0 H THR A 83 -8.373 5.607 -1.552 1.00 61.12 H new ATOM 0 HA THR A 83 -7.077 8.012 -0.627 1.00 12.22 H new ATOM 0 HB THR A 83 -5.251 6.593 -0.247 1.00 21.14 H new ATOM 0 HG1 THR A 83 -4.747 8.599 -1.149 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.112 5.288 -2.004 1.00 21.44 H new ATOM 0 HG22 THR A 83 -5.731 4.666 -1.603 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.482 5.604 -3.095 1.00 21.44 H new ATOM 1399 N GLU A 84 -7.002 8.762 -3.148 1.00 33.14 N ATOM 1400 CA GLU A 84 -7.179 9.203 -4.523 1.00 74.01 C ATOM 1401 C GLU A 84 -6.290 8.418 -5.508 1.00 43.32 C ATOM 1402 O GLU A 84 -6.516 8.500 -6.720 1.00 63.43 O ATOM 1403 CB GLU A 84 -7.044 10.728 -4.610 1.00 14.25 C ATOM 1404 CG GLU A 84 -5.580 11.130 -4.674 1.00 22.52 C ATOM 1405 CD GLU A 84 -5.364 12.622 -4.932 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -5.515 13.044 -6.103 1.00 15.35 O1- ATOM 1407 OE2 GLU A 84 -4.949 13.354 -4.008 1.00 3.33 O ATOM 0 H GLU A 84 -6.457 9.411 -2.580 1.00 33.14 H new ATOM 0 HA GLU A 84 -8.194 8.968 -4.845 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -7.567 11.095 -5.493 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -7.517 11.191 -3.744 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -5.096 10.859 -3.736 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -5.089 10.559 -5.462 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.273 7.698 -5.017 1.00 73.53 N ATOM 1415 CA PHE A 85 -4.334 6.970 -5.852 1.00 60.43 C ATOM 1416 C PHE A 85 -4.859 5.560 -6.124 1.00 31.05 C ATOM 1417 O PHE A 85 -5.004 4.724 -5.228 1.00 71.34 O ATOM 1418 CB PHE A 85 -2.928 6.974 -5.237 1.00 20.01 C ATOM 1419 CG PHE A 85 -2.231 8.327 -5.293 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -1.945 8.935 -6.533 1.00 1.42 C ATOM 1421 CD2 PHE A 85 -1.869 8.990 -4.107 1.00 44.43 C ATOM 1422 CE1 PHE A 85 -1.296 10.182 -6.582 1.00 70.20 C ATOM 1423 CE2 PHE A 85 -1.221 10.237 -4.154 1.00 63.20 C ATOM 1424 CZ PHE A 85 -0.930 10.835 -5.391 1.00 71.12 C ATOM 0 H PHE A 85 -5.085 7.609 -4.018 1.00 73.53 H new ATOM 0 HA PHE A 85 -4.245 7.474 -6.814 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -2.997 6.655 -4.197 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.313 6.238 -5.756 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -2.226 8.440 -7.451 1.00 1.42 H new ATOM 0 HD2 PHE A 85 -2.091 8.538 -3.152 1.00 44.43 H new ATOM 0 HE1 PHE A 85 -1.078 10.639 -7.536 1.00 70.20 H new ATOM 0 HE2 PHE A 85 -0.946 10.736 -3.237 1.00 63.20 H new ATOM 0 HZ PHE A 85 -0.428 11.791 -5.428 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.140 5.287 -7.395 1.00 63.21 N ATOM 1435 CA ASP A 86 -5.558 3.972 -7.860 1.00 42.44 C ATOM 1436 C ASP A 86 -4.535 2.911 -7.475 1.00 50.23 C ATOM 1437 O ASP A 86 -3.338 3.172 -7.439 1.00 3.02 O ATOM 1438 CB ASP A 86 -5.661 3.978 -9.381 1.00 35.42 C ATOM 1439 CG ASP A 86 -6.661 2.972 -9.937 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -6.707 1.818 -9.458 1.00 54.44 O ATOM 1441 OD2 ASP A 86 -7.401 3.324 -10.873 1.00 23.14 O1- ATOM 0 H ASP A 86 -5.082 5.983 -8.139 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.520 3.745 -7.401 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -5.944 4.977 -9.712 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -4.678 3.769 -9.803 1.00 35.42 H new ATOM 1446 N ALA A 87 -4.975 1.670 -7.369 1.00 34.50 N ATOM 1447 CA ALA A 87 -4.121 0.490 -7.274 1.00 54.34 C ATOM 1448 C ALA A 87 -3.251 0.392 -8.532 1.00 42.15 C ATOM 1449 O ALA A 87 -2.097 -0.048 -8.474 1.00 54.10 O ATOM 1450 CB ALA A 87 -4.984 -0.763 -7.093 1.00 13.05 C ATOM 0 H ALA A 87 -5.969 1.444 -7.346 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.465 0.573 -6.407 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -4.341 -1.640 -7.023 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.573 -0.671 -6.180 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.653 -0.871 -7.947 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.787 0.863 -9.665 1.00 54.42 N ATOM 1457 CA ARG A 88 -3.093 0.945 -10.942 1.00 71.23 C ATOM 1458 C ARG A 88 -1.849 1.839 -10.876 1.00 35.22 C ATOM 1459 O ARG A 88 -0.918 1.583 -11.640 1.00 74.21 O ATOM 1460 CB ARG A 88 -4.084 1.408 -12.026 1.00 33.21 C ATOM 1461 CG ARG A 88 -3.627 0.987 -13.433 1.00 42.33 C ATOM 1462 CD ARG A 88 -4.437 1.666 -14.540 1.00 12.42 C ATOM 1463 NE ARG A 88 -5.834 1.201 -14.590 1.00 52.53 N ATOM 1464 CZ ARG A 88 -6.526 0.824 -15.671 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -5.953 0.839 -16.867 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -7.785 0.429 -15.541 1.00 13.42 N ATOM 0 H ARG A 88 -4.746 1.207 -9.712 1.00 54.42 H new ATOM 0 HA ARG A 88 -2.723 -0.047 -11.201 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -5.069 0.987 -11.822 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -4.186 2.492 -11.986 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -2.572 1.231 -13.557 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -3.717 -0.095 -13.532 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -4.423 2.745 -14.385 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -3.961 1.476 -15.502 1.00 12.42 H new ATOM 0 HE ARG A 88 -6.330 1.162 -13.699 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -4.983 1.138 -16.964 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -6.483 0.551 -17.690 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -8.222 0.413 -14.620 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -8.316 0.141 -16.362 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.786 2.859 -10.006 1.00 15.10 N ATOM 1481 CA LYS A 89 -0.591 3.694 -9.828 1.00 14.14 C ATOM 1482 C LYS A 89 0.086 3.528 -8.469 1.00 2.34 C ATOM 1483 O LYS A 89 1.290 3.727 -8.407 1.00 51.34 O ATOM 1484 CB LYS A 89 -0.914 5.162 -10.137 1.00 41.42 C ATOM 1485 CG LYS A 89 -2.060 5.743 -9.290 1.00 43.13 C ATOM 1486 CD LYS A 89 -2.930 6.692 -10.102 1.00 64.32 C ATOM 1487 CE LYS A 89 -2.118 7.929 -10.507 1.00 13.54 C ATOM 1488 NZ LYS A 89 -2.937 8.950 -11.181 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.565 3.127 -9.405 1.00 15.10 H new ATOM 0 HA LYS A 89 0.146 3.339 -10.548 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -0.018 5.762 -9.977 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.174 5.252 -11.192 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -2.673 4.931 -8.899 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -1.647 6.272 -8.431 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -3.304 6.185 -10.991 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -3.799 6.993 -9.517 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -1.660 8.365 -9.619 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -1.306 7.625 -11.168 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -2.340 9.763 -11.433 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -3.354 8.546 -12.044 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -3.696 9.263 -10.543 1.00 75.22 H new ATOM 1502 N LEU A 90 -0.609 3.122 -7.406 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.078 3.010 -6.046 1.00 62.33 C ATOM 1504 C LEU A 90 1.141 2.096 -6.018 1.00 70.22 C ATOM 1505 O LEU A 90 2.215 2.485 -5.573 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.148 2.455 -5.081 1.00 42.24 C ATOM 1507 CG LEU A 90 -1.730 3.432 -4.047 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -2.716 2.694 -3.135 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -0.689 4.195 -3.220 1.00 43.35 C ATOM 0 H LEU A 90 -1.591 2.853 -7.470 1.00 2.34 H new ATOM 0 HA LEU A 90 0.212 4.010 -5.723 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -1.972 2.063 -5.678 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -0.714 1.612 -4.544 1.00 42.24 H new ATOM 0 HG LEU A 90 -2.245 4.202 -4.621 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -3.126 3.390 -2.404 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -3.526 2.279 -3.735 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.198 1.887 -2.617 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -1.196 4.858 -2.519 1.00 43.35 H new ATOM 0 HD22 LEU A 90 -0.073 3.486 -2.667 1.00 43.35 H new ATOM 0 HD23 LEU A 90 -0.057 4.784 -3.885 1.00 43.35 H new ATOM 1521 N HIS A 91 0.989 0.877 -6.536 1.00 11.24 N ATOM 1522 CA HIS A 91 2.058 -0.120 -6.570 1.00 44.30 C ATOM 1523 C HIS A 91 3.234 0.363 -7.450 1.00 65.40 C ATOM 1524 O HIS A 91 4.373 -0.075 -7.289 1.00 62.10 O ATOM 1525 CB HIS A 91 1.399 -1.418 -7.067 1.00 74.21 C ATOM 1526 CG HIS A 91 2.206 -2.694 -7.148 1.00 23.33 C ATOM 1527 ND1 HIS A 91 1.711 -3.870 -7.666 1.00 12.20 N ATOM 1528 CD2 HIS A 91 3.484 -2.941 -6.720 1.00 63.15 C ATOM 1529 CE1 HIS A 91 2.676 -4.795 -7.591 1.00 30.45 C ATOM 1530 NE2 HIS A 91 3.787 -4.270 -7.047 1.00 10.32 N ATOM 0 H HIS A 91 0.114 0.552 -6.947 1.00 11.24 H new ATOM 0 HA HIS A 91 2.507 -0.289 -5.591 1.00 44.30 H new ATOM 0 HB2 HIS A 91 0.544 -1.616 -6.420 1.00 74.21 H new ATOM 0 HB3 HIS A 91 1.005 -1.220 -8.064 1.00 74.21 H new ATOM 0 HD2 HIS A 91 4.138 -2.240 -6.222 1.00 63.15 H new ATOM 0 HE1 HIS A 91 2.576 -5.818 -7.921 1.00 30.45 H new ATOM 0 HE2 HIS A 91 4.677 -4.746 -6.901 1.00 10.32 H new ATOM 1538 N LYS A 92 2.982 1.285 -8.387 1.00 0.33 N ATOM 1539 CA LYS A 92 3.968 1.865 -9.299 1.00 62.41 C ATOM 1540 C LYS A 92 4.759 2.964 -8.578 1.00 4.02 C ATOM 1541 O LYS A 92 5.987 2.944 -8.565 1.00 61.24 O ATOM 1542 CB LYS A 92 3.218 2.360 -10.555 1.00 22.30 C ATOM 1543 CG LYS A 92 4.054 2.215 -11.829 1.00 2.40 C ATOM 1544 CD LYS A 92 3.201 2.391 -13.094 1.00 24.33 C ATOM 1545 CE LYS A 92 4.037 2.174 -14.362 1.00 65.23 C ATOM 1546 NZ LYS A 92 4.415 0.758 -14.571 1.00 43.32 N1+ ATOM 0 H LYS A 92 2.045 1.661 -8.534 1.00 0.33 H new ATOM 0 HA LYS A 92 4.707 1.130 -9.620 1.00 62.41 H new ATOM 0 HB2 LYS A 92 2.291 1.798 -10.666 1.00 22.30 H new ATOM 0 HB3 LYS A 92 2.942 3.406 -10.422 1.00 22.30 H new ATOM 0 HG2 LYS A 92 4.855 2.955 -11.825 1.00 2.40 H new ATOM 0 HG3 LYS A 92 4.527 1.233 -11.843 1.00 2.40 H new ATOM 0 HD2 LYS A 92 2.371 1.685 -13.077 1.00 24.33 H new ATOM 0 HD3 LYS A 92 2.768 3.391 -13.108 1.00 24.33 H new ATOM 0 HE2 LYS A 92 3.473 2.525 -15.226 1.00 65.23 H new ATOM 0 HE3 LYS A 92 4.941 2.781 -14.303 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 4.904 0.660 -15.483 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 5.047 0.451 -13.804 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 3.559 0.167 -14.572 1.00 43.32 H new ATOM 1560 N LEU A 93 4.051 3.891 -7.930 1.00 63.33 N ATOM 1561 CA LEU A 93 4.555 4.897 -7.003 1.00 20.11 C ATOM 1562 C LEU A 93 5.461 4.225 -5.976 1.00 43.43 C ATOM 1563 O LEU A 93 6.624 4.605 -5.855 1.00 62.13 O ATOM 1564 CB LEU A 93 3.390 5.653 -6.322 1.00 1.11 C ATOM 1565 CG LEU A 93 2.647 6.653 -7.233 1.00 52.21 C ATOM 1566 CD1 LEU A 93 1.280 7.010 -6.636 1.00 23.33 C ATOM 1567 CD2 LEU A 93 3.445 7.945 -7.438 1.00 24.41 C ATOM 0 H LEU A 93 3.040 3.960 -8.050 1.00 63.33 H new ATOM 0 HA LEU A 93 5.137 5.636 -7.553 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.673 4.924 -5.946 1.00 1.11 H new ATOM 0 HB3 LEU A 93 3.780 6.191 -5.458 1.00 1.11 H new ATOM 0 HG LEU A 93 2.520 6.164 -8.199 1.00 52.21 H new ATOM 0 HD11 LEU A 93 0.770 7.716 -7.291 1.00 23.33 H new ATOM 0 HD12 LEU A 93 0.679 6.106 -6.538 1.00 23.33 H new ATOM 0 HD13 LEU A 93 1.419 7.462 -5.654 1.00 23.33 H new ATOM 0 HD21 LEU A 93 2.885 8.620 -8.085 1.00 24.41 H new ATOM 0 HD22 LEU A 93 3.615 8.425 -6.474 1.00 24.41 H new ATOM 0 HD23 LEU A 93 4.404 7.711 -7.901 1.00 24.41 H new ATOM 1579 N TYR A 94 4.950 3.198 -5.290 1.00 62.42 N ATOM 1580 CA TYR A 94 5.692 2.420 -4.310 1.00 42.52 C ATOM 1581 C TYR A 94 6.968 1.845 -4.914 1.00 73.20 C ATOM 1582 O TYR A 94 8.038 2.076 -4.360 1.00 63.02 O ATOM 1583 CB TYR A 94 4.822 1.304 -3.724 1.00 5.32 C ATOM 1584 CG TYR A 94 5.579 0.464 -2.714 1.00 33.45 C ATOM 1585 CD1 TYR A 94 5.993 1.040 -1.499 1.00 3.30 C ATOM 1586 CD2 TYR A 94 5.938 -0.862 -3.018 1.00 12.54 C ATOM 1587 CE1 TYR A 94 6.776 0.303 -0.591 1.00 21.21 C ATOM 1588 CE2 TYR A 94 6.727 -1.598 -2.118 1.00 73.21 C ATOM 1589 CZ TYR A 94 7.167 -1.016 -0.910 1.00 54.02 C ATOM 1590 OH TYR A 94 8.006 -1.719 -0.099 1.00 52.45 O ATOM 0 H TYR A 94 3.987 2.883 -5.408 1.00 62.42 H new ATOM 0 HA TYR A 94 5.976 3.093 -3.501 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.945 1.741 -3.247 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.462 0.665 -4.530 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.708 2.054 -1.262 1.00 3.30 H new ATOM 0 HD2 TYR A 94 5.608 -1.313 -3.942 1.00 12.54 H new ATOM 0 HE1 TYR A 94 7.077 0.745 0.347 1.00 21.21 H new ATOM 0 HE2 TYR A 94 6.999 -2.617 -2.352 1.00 73.21 H new ATOM 0 HH TYR A 94 8.161 -2.608 -0.481 1.00 52.45 H new ATOM 1600 N LYS A 95 6.878 1.139 -6.052 1.00 41.45 N ATOM 1601 CA LYS A 95 8.049 0.630 -6.780 1.00 54.30 C ATOM 1602 C LYS A 95 9.127 1.709 -6.924 1.00 22.23 C ATOM 1603 O LYS A 95 10.299 1.467 -6.620 1.00 35.23 O ATOM 1604 CB LYS A 95 7.623 0.078 -8.162 1.00 32.21 C ATOM 1605 CG LYS A 95 7.645 -1.456 -8.261 1.00 61.25 C ATOM 1606 CD LYS A 95 9.075 -1.960 -8.486 1.00 54.15 C ATOM 1607 CE LYS A 95 9.165 -3.484 -8.613 1.00 22.41 C ATOM 1608 NZ LYS A 95 10.539 -3.916 -8.949 1.00 12.11 N1+ ATOM 0 H LYS A 95 5.989 0.905 -6.493 1.00 41.45 H new ATOM 0 HA LYS A 95 8.482 -0.186 -6.202 1.00 54.30 H new ATOM 0 HB2 LYS A 95 6.617 0.431 -8.388 1.00 32.21 H new ATOM 0 HB3 LYS A 95 8.284 0.490 -8.925 1.00 32.21 H new ATOM 0 HG2 LYS A 95 7.240 -1.891 -7.347 1.00 61.25 H new ATOM 0 HG3 LYS A 95 7.005 -1.782 -9.081 1.00 61.25 H new ATOM 0 HD2 LYS A 95 9.477 -1.502 -9.390 1.00 54.15 H new ATOM 0 HD3 LYS A 95 9.703 -1.633 -7.657 1.00 54.15 H new ATOM 0 HE2 LYS A 95 8.855 -3.948 -7.677 1.00 22.41 H new ATOM 0 HE3 LYS A 95 8.475 -3.828 -9.383 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 10.567 -4.953 -9.028 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 10.825 -3.492 -9.855 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 11.192 -3.608 -8.201 1.00 12.11 H new ATOM 1622 N HIS A 96 8.744 2.908 -7.369 1.00 2.14 N ATOM 1623 CA HIS A 96 9.738 3.920 -7.714 1.00 2.00 C ATOM 1624 C HIS A 96 10.383 4.360 -6.392 1.00 64.43 C ATOM 1625 O HIS A 96 11.588 4.581 -6.298 1.00 42.32 O ATOM 1626 CB HIS A 96 9.092 5.135 -8.412 1.00 24.51 C ATOM 1627 CG HIS A 96 8.811 6.395 -7.618 1.00 14.41 C ATOM 1628 ND1 HIS A 96 9.782 7.208 -7.070 1.00 42.35 N ATOM 1629 CD2 HIS A 96 7.631 7.082 -7.542 1.00 62.44 C ATOM 1630 CE1 HIS A 96 9.194 8.324 -6.623 1.00 43.34 C ATOM 1631 NE2 HIS A 96 7.872 8.290 -6.879 1.00 62.31 N ATOM 0 H HIS A 96 7.774 3.196 -7.496 1.00 2.14 H new ATOM 0 HA HIS A 96 10.470 3.510 -8.409 1.00 2.00 H new ATOM 0 HB2 HIS A 96 9.737 5.412 -9.246 1.00 24.51 H new ATOM 0 HB3 HIS A 96 8.146 4.801 -8.838 1.00 24.51 H new ATOM 0 HD2 HIS A 96 6.678 6.750 -7.927 1.00 62.44 H new ATOM 0 HE1 HIS A 96 9.706 9.136 -6.128 1.00 43.34 H new ATOM 0 HE2 HIS A 96 7.184 9.003 -6.638 1.00 62.31 H new ATOM 1639 N ALA A 97 9.533 4.531 -5.377 1.00 74.32 N ATOM 1640 CA ALA A 97 9.872 5.070 -4.071 1.00 62.11 C ATOM 1641 C ALA A 97 10.808 4.149 -3.292 1.00 21.45 C ATOM 1642 O ALA A 97 11.760 4.659 -2.695 1.00 62.01 O ATOM 1643 CB ALA A 97 8.598 5.352 -3.274 1.00 12.11 C ATOM 0 H ALA A 97 8.546 4.284 -5.453 1.00 74.32 H new ATOM 0 HA ALA A 97 10.409 6.005 -4.228 1.00 62.11 H new ATOM 0 HB1 ALA A 97 8.862 5.756 -2.297 1.00 12.11 H new ATOM 0 HB2 ALA A 97 7.985 6.075 -3.812 1.00 12.11 H new ATOM 0 HB3 ALA A 97 8.037 4.426 -3.145 1.00 12.11 H new ATOM 1649 N ILE A 98 10.564 2.830 -3.296 1.00 4.01 N ATOM 1650 CA ILE A 98 11.516 1.871 -2.738 1.00 65.43 C ATOM 1651 C ILE A 98 12.816 1.981 -3.517 1.00 70.52 C ATOM 1652 O ILE A 98 13.862 2.137 -2.893 1.00 31.14 O ATOM 1653 CB ILE A 98 10.971 0.424 -2.655 1.00 34.23 C ATOM 1654 CG1 ILE A 98 11.966 -0.546 -1.967 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.568 -0.221 -3.986 1.00 12.03 C ATOM 1656 CD1 ILE A 98 12.154 -0.365 -0.461 1.00 25.45 C ATOM 0 H ILE A 98 9.718 2.409 -3.679 1.00 4.01 H new ATOM 0 HA ILE A 98 11.699 2.127 -1.694 1.00 65.43 H new ATOM 0 HB ILE A 98 10.066 0.562 -2.063 1.00 34.23 H new ATOM 0 HG12 ILE A 98 11.631 -1.567 -2.150 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.938 -0.438 -2.449 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.202 -1.232 -3.805 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.782 0.371 -4.454 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.434 -0.262 -4.647 1.00 12.03 H new ATOM 0 HD11 ILE A 98 12.871 -1.098 -0.093 1.00 25.45 H new ATOM 0 HD12 ILE A 98 12.526 0.639 -0.259 1.00 25.45 H new ATOM 0 HD13 ILE A 98 11.199 -0.507 0.045 1.00 25.45 H new ATOM 1668 N LYS A 99 12.761 1.986 -4.854 1.00 65.44 N ATOM 1669 CA LYS A 99 13.984 2.042 -5.639 1.00 2.32 C ATOM 1670 C LYS A 99 14.807 3.302 -5.358 1.00 44.52 C ATOM 1671 O LYS A 99 16.026 3.223 -5.319 1.00 12.43 O ATOM 1672 CB LYS A 99 13.650 1.876 -7.117 1.00 70.12 C ATOM 1673 CG LYS A 99 14.934 1.587 -7.895 1.00 70.31 C ATOM 1674 CD LYS A 99 14.626 1.330 -9.366 1.00 52.12 C ATOM 1675 CE LYS A 99 15.663 0.379 -9.951 1.00 11.33 C ATOM 1676 NZ LYS A 99 15.215 -0.188 -11.238 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.899 1.953 -5.399 1.00 65.44 H new ATOM 0 HA LYS A 99 14.625 1.214 -5.337 1.00 2.32 H new ATOM 0 HB2 LYS A 99 12.938 1.062 -7.252 1.00 70.12 H new ATOM 0 HB3 LYS A 99 13.176 2.780 -7.498 1.00 70.12 H new ATOM 0 HG2 LYS A 99 15.618 2.430 -7.803 1.00 70.31 H new ATOM 0 HG3 LYS A 99 15.437 0.720 -7.467 1.00 70.31 H new ATOM 0 HD2 LYS A 99 13.628 0.903 -9.469 1.00 52.12 H new ATOM 0 HD3 LYS A 99 14.629 2.270 -9.917 1.00 52.12 H new ATOM 0 HE2 LYS A 99 16.604 0.910 -10.094 1.00 11.33 H new ATOM 0 HE3 LYS A 99 15.857 -0.428 -9.245 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 15.945 -0.830 -11.607 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 14.330 -0.715 -11.096 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 15.054 0.581 -11.919 1.00 60.11 H new ATOM 1690 N LYS A 100 14.185 4.450 -5.076 1.00 42.13 N ATOM 1691 CA LYS A 100 14.925 5.651 -4.670 1.00 4.50 C ATOM 1692 C LYS A 100 15.745 5.391 -3.402 1.00 64.53 C ATOM 1693 O LYS A 100 16.844 5.912 -3.259 1.00 65.31 O ATOM 1694 CB LYS A 100 13.944 6.831 -4.524 1.00 23.44 C ATOM 1695 CG LYS A 100 14.598 8.225 -4.525 1.00 42.32 C ATOM 1696 CD LYS A 100 15.126 8.713 -3.163 1.00 74.15 C ATOM 1697 CE LYS A 100 15.433 10.211 -3.270 1.00 14.21 C ATOM 1698 NZ LYS A 100 15.957 10.816 -2.027 1.00 55.41 N1+ ATOM 0 H LYS A 100 13.174 4.574 -5.121 1.00 42.13 H new ATOM 0 HA LYS A 100 15.648 5.917 -5.441 1.00 4.50 H new ATOM 0 HB2 LYS A 100 13.220 6.785 -5.338 1.00 23.44 H new ATOM 0 HB3 LYS A 100 13.387 6.708 -3.595 1.00 23.44 H new ATOM 0 HG2 LYS A 100 15.426 8.218 -5.234 1.00 42.32 H new ATOM 0 HG3 LYS A 100 13.870 8.948 -4.893 1.00 42.32 H new ATOM 0 HD2 LYS A 100 14.386 8.533 -2.383 1.00 74.15 H new ATOM 0 HD3 LYS A 100 16.024 8.161 -2.885 1.00 74.15 H new ATOM 0 HE2 LYS A 100 16.159 10.365 -4.069 1.00 14.21 H new ATOM 0 HE3 LYS A 100 14.523 10.736 -3.560 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 16.138 11.828 -2.183 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 15.259 10.703 -1.265 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 16.843 10.343 -1.758 1.00 55.41 H new ATOM 1712 N ARG A 101 15.235 4.591 -2.459 1.00 13.00 N ATOM 1713 CA ARG A 101 16.017 4.169 -1.299 1.00 21.24 C ATOM 1714 C ARG A 101 16.997 3.056 -1.650 1.00 32.44 C ATOM 1715 O ARG A 101 18.063 3.023 -1.036 1.00 41.23 O ATOM 1716 CB ARG A 101 15.087 3.754 -0.140 1.00 43.10 C ATOM 1717 CG ARG A 101 15.028 4.801 0.985 1.00 13.42 C ATOM 1718 CD ARG A 101 14.559 6.177 0.494 1.00 31.55 C ATOM 1719 NE ARG A 101 14.256 7.081 1.618 1.00 14.22 N ATOM 1720 CZ ARG A 101 14.916 8.174 2.018 1.00 32.10 C ATOM 1721 NH1 ARG A 101 16.066 8.544 1.467 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 14.401 8.921 2.986 1.00 74.22 N ATOM 0 H ARG A 101 14.283 4.224 -2.479 1.00 13.00 H new ATOM 0 HA ARG A 101 16.611 5.022 -0.971 1.00 21.24 H new ATOM 0 HB2 ARG A 101 14.082 3.589 -0.529 1.00 43.10 H new ATOM 0 HB3 ARG A 101 15.430 2.805 0.272 1.00 43.10 H new ATOM 0 HG2 ARG A 101 14.354 4.450 1.766 1.00 13.42 H new ATOM 0 HG3 ARG A 101 16.015 4.899 1.436 1.00 13.42 H new ATOM 0 HD2 ARG A 101 15.331 6.622 -0.134 1.00 31.55 H new ATOM 0 HD3 ARG A 101 13.672 6.059 -0.128 1.00 31.55 H new ATOM 0 HE ARG A 101 13.430 6.840 2.166 1.00 14.22 H new ATOM 0 HH11 ARG A 101 16.473 7.989 0.714 1.00 32.33 H new ATOM 0 HH12 ARG A 101 16.543 9.383 1.797 1.00 32.33 H new ATOM 0 HH21 ARG A 101 13.513 8.659 3.415 1.00 74.22 H new ATOM 0 HH22 ARG A 101 14.893 9.757 3.301 1.00 74.22 H new