USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN :FLIP amide:sc= -0.761 F(o=-1.9!,f=-0.76) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 109:sc= 1.24 USER MOD Single : A 15 LYS NZ :NH3+ -114:sc= 0.874 (180deg=0.0633) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -172:sc= 0.884 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= 1.25 (180deg=0.974) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -108:sc= -2.49 (180deg=-7.84!) USER MOD Single : A 40 THR OG1 : rot -130:sc= 0.0243 USER MOD Single : A 43 TYR OH : rot -144:sc= 0.843 USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= 1.21 (180deg=1.12) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 30:sc= 1.3 USER MOD Single : A 62 SER OG : rot 33:sc= 1.26 USER MOD Single : A 64 SER OG : rot 31:sc= -0.0018 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 0.99 (180deg=0.56) USER MOD ----------------------------------------------------------------- ATOM 56 N GLY A 4 7.407 2.550 10.075 1.00 45.43 N ATOM 57 CA GLY A 4 7.184 2.380 8.654 1.00 62.34 C ATOM 58 C GLY A 4 7.445 0.968 8.185 1.00 64.13 C ATOM 59 O GLY A 4 8.594 0.517 8.144 1.00 11.03 O ATOM 0 HA2 GLY A 4 6.155 2.652 8.417 1.00 62.34 H new ATOM 0 HA3 GLY A 4 7.830 3.065 8.105 1.00 62.34 H new ATOM 63 N ILE A 5 6.377 0.264 7.850 1.00 22.42 N ATOM 64 CA ILE A 5 6.483 -1.082 7.314 1.00 13.34 C ATOM 65 C ILE A 5 6.295 -1.047 5.806 1.00 62.12 C ATOM 66 O ILE A 5 5.760 -0.076 5.264 1.00 12.41 O ATOM 67 CB ILE A 5 5.440 -2.045 7.931 1.00 11.30 C ATOM 68 CG1 ILE A 5 4.018 -1.629 7.540 1.00 63.21 C ATOM 69 CG2 ILE A 5 5.588 -2.086 9.445 1.00 12.31 C ATOM 70 CD1 ILE A 5 2.948 -2.605 7.985 1.00 14.24 C ATOM 0 H ILE A 5 5.420 0.606 7.941 1.00 22.42 H new ATOM 0 HA ILE A 5 7.475 -1.455 7.570 1.00 13.34 H new ATOM 0 HB ILE A 5 5.621 -3.045 7.537 1.00 11.30 H new ATOM 0 HG12 ILE A 5 3.805 -0.651 7.971 1.00 63.21 H new ATOM 0 HG13 ILE A 5 3.967 -1.519 6.457 1.00 63.21 H new ATOM 0 HG21 ILE A 5 4.848 -2.767 9.865 1.00 12.31 H new ATOM 0 HG22 ILE A 5 6.588 -2.433 9.704 1.00 12.31 H new ATOM 0 HG23 ILE A 5 5.434 -1.087 9.853 1.00 12.31 H new ATOM 0 HD11 ILE A 5 1.970 -2.241 7.671 1.00 14.24 H new ATOM 0 HD12 ILE A 5 3.134 -3.580 7.534 1.00 14.24 H new ATOM 0 HD13 ILE A 5 2.969 -2.698 9.071 1.00 14.24 H new ATOM 82 N GLY A 6 6.737 -2.087 5.127 1.00 33.42 N ATOM 83 CA GLY A 6 6.563 -2.145 3.696 1.00 14.02 C ATOM 84 C GLY A 6 5.157 -2.559 3.331 1.00 21.00 C ATOM 85 O GLY A 6 4.528 -3.329 4.057 1.00 54.31 O ATOM 0 H GLY A 6 7.212 -2.890 5.539 1.00 33.42 H new ATOM 0 HA2 GLY A 6 6.782 -1.170 3.261 1.00 14.02 H new ATOM 0 HA3 GLY A 6 7.275 -2.851 3.269 1.00 14.02 H new ATOM 89 N LEU A 7 4.659 -2.049 2.217 1.00 42.43 N ATOM 90 CA LEU A 7 3.312 -2.367 1.761 1.00 30.10 C ATOM 91 C LEU A 7 3.159 -3.870 1.521 1.00 73.22 C ATOM 92 O LEU A 7 2.068 -4.422 1.639 1.00 41.21 O ATOM 93 CB LEU A 7 2.997 -1.592 0.479 1.00 54.51 C ATOM 94 CG LEU A 7 1.558 -1.714 -0.023 1.00 60.11 C ATOM 95 CD1 LEU A 7 0.594 -1.058 0.955 1.00 53.23 C ATOM 96 CD2 LEU A 7 1.425 -1.094 -1.407 1.00 60.15 C ATOM 0 H LEU A 7 5.169 -1.409 1.607 1.00 42.43 H new ATOM 0 HA LEU A 7 2.607 -2.073 2.538 1.00 30.10 H new ATOM 0 HB2 LEU A 7 3.217 -0.538 0.648 1.00 54.51 H new ATOM 0 HB3 LEU A 7 3.669 -1.935 -0.308 1.00 54.51 H new ATOM 0 HG LEU A 7 1.304 -2.772 -0.094 1.00 60.11 H new ATOM 0 HD11 LEU A 7 -0.425 -1.155 0.581 1.00 53.23 H new ATOM 0 HD12 LEU A 7 0.672 -1.547 1.926 1.00 53.23 H new ATOM 0 HD13 LEU A 7 0.844 -0.002 1.059 1.00 53.23 H new ATOM 0 HD21 LEU A 7 0.395 -1.189 -1.751 1.00 60.15 H new ATOM 0 HD22 LEU A 7 1.697 -0.039 -1.361 1.00 60.15 H new ATOM 0 HD23 LEU A 7 2.088 -1.609 -2.102 1.00 60.15 H new ATOM 108 N ASN A 8 4.269 -4.529 1.212 1.00 20.41 N ATOM 109 CA ASN A 8 4.268 -5.964 0.959 1.00 72.24 C ATOM 110 C ASN A 8 4.214 -6.750 2.266 1.00 60.20 C ATOM 111 O ASN A 8 4.025 -7.964 2.262 1.00 11.32 O ATOM 112 CB ASN A 8 5.505 -6.370 0.148 1.00 23.32 C ATOM 113 CG ASN A 8 6.800 -6.223 0.926 1.00 73.01 C ATOM 114 OD1 ASN A 8 7.421 -5.056 0.837 1.00 25.31 O flip ATOM 115 ND2 ASN A 8 7.245 -7.159 1.591 1.00 50.14 N flip ATOM 0 H ASN A 8 5.186 -4.089 1.130 1.00 20.41 H new ATOM 0 HA ASN A 8 3.376 -6.201 0.379 1.00 72.24 H new ATOM 0 HB2 ASN A 8 5.397 -7.406 -0.174 1.00 23.32 H new ATOM 0 HB3 ASN A 8 5.558 -5.759 -0.753 1.00 23.32 H new ATOM 0 HD21 ASN A 8 6.736 -8.042 1.634 1.00 50.14 H new ATOM 0 HD22 ASN A 8 8.123 -7.051 2.099 1.00 50.14 H new ATOM 122 N GLU A 9 4.380 -6.054 3.386 1.00 14.40 N ATOM 123 CA GLU A 9 4.291 -6.676 4.695 1.00 75.42 C ATOM 124 C GLU A 9 2.856 -6.614 5.203 1.00 51.43 C ATOM 125 O GLU A 9 2.488 -7.298 6.162 1.00 32.12 O ATOM 126 CB GLU A 9 5.222 -5.975 5.686 1.00 62.40 C ATOM 127 CG GLU A 9 6.697 -6.117 5.358 1.00 74.43 C ATOM 128 CD GLU A 9 7.592 -5.509 6.422 1.00 21.43 C ATOM 129 OE1 GLU A 9 7.814 -4.280 6.390 1.00 73.44 O ATOM 130 OE2 GLU A 9 8.076 -6.256 7.300 1.00 71.04 O ATOM 0 H GLU A 9 4.578 -5.054 3.409 1.00 14.40 H new ATOM 0 HA GLU A 9 4.597 -7.718 4.605 1.00 75.42 H new ATOM 0 HB2 GLU A 9 4.969 -4.915 5.719 1.00 62.40 H new ATOM 0 HB3 GLU A 9 5.042 -6.377 6.683 1.00 62.40 H new ATOM 0 HG2 GLU A 9 6.940 -7.173 5.244 1.00 74.43 H new ATOM 0 HG3 GLU A 9 6.900 -5.638 4.400 1.00 74.43 H new ATOM 137 N VAL A 10 2.049 -5.789 4.545 1.00 31.51 N ATOM 138 CA VAL A 10 0.665 -5.586 4.947 1.00 41.21 C ATOM 139 C VAL A 10 -0.202 -6.757 4.489 1.00 71.14 C ATOM 140 O VAL A 10 0.119 -7.447 3.517 1.00 12.12 O ATOM 141 CB VAL A 10 0.101 -4.267 4.370 1.00 54.15 C ATOM 142 CG1 VAL A 10 -1.243 -3.917 4.992 1.00 43.21 C ATOM 143 CG2 VAL A 10 1.088 -3.130 4.571 1.00 11.31 C ATOM 0 H VAL A 10 2.333 -5.249 3.728 1.00 31.51 H new ATOM 0 HA VAL A 10 0.644 -5.525 6.035 1.00 41.21 H new ATOM 0 HB VAL A 10 -0.053 -4.414 3.301 1.00 54.15 H new ATOM 0 HG11 VAL A 10 -1.610 -2.984 4.564 1.00 43.21 H new ATOM 0 HG12 VAL A 10 -1.957 -4.715 4.789 1.00 43.21 H new ATOM 0 HG13 VAL A 10 -1.126 -3.800 6.069 1.00 43.21 H new ATOM 0 HG21 VAL A 10 0.673 -2.211 4.158 1.00 11.31 H new ATOM 0 HG22 VAL A 10 1.277 -2.997 5.636 1.00 11.31 H new ATOM 0 HG23 VAL A 10 2.023 -3.366 4.063 1.00 11.31 H new ATOM 153 N GLU A 11 -1.301 -6.966 5.191 1.00 61.33 N ATOM 154 CA GLU A 11 -2.175 -8.096 4.937 1.00 70.52 C ATOM 155 C GLU A 11 -3.423 -7.641 4.189 1.00 1.11 C ATOM 156 O GLU A 11 -3.667 -6.444 4.037 1.00 13.24 O ATOM 157 CB GLU A 11 -2.549 -8.758 6.263 1.00 62.35 C ATOM 158 CG GLU A 11 -3.175 -10.134 6.126 1.00 42.22 C ATOM 159 CD GLU A 11 -3.333 -10.823 7.460 1.00 22.34 C ATOM 160 OE1 GLU A 11 -4.291 -10.497 8.192 1.00 73.41 O ATOM 161 OE2 GLU A 11 -2.481 -11.674 7.793 1.00 13.43 O ATOM 0 H GLU A 11 -1.612 -6.360 5.950 1.00 61.33 H new ATOM 0 HA GLU A 11 -1.655 -8.823 4.314 1.00 70.52 H new ATOM 0 HB2 GLU A 11 -1.653 -8.840 6.879 1.00 62.35 H new ATOM 0 HB3 GLU A 11 -3.244 -8.108 6.796 1.00 62.35 H new ATOM 0 HG2 GLU A 11 -4.151 -10.042 5.649 1.00 42.22 H new ATOM 0 HG3 GLU A 11 -2.557 -10.749 5.472 1.00 42.22 H new ATOM 168 N ILE A 12 -4.209 -8.602 3.734 1.00 35.24 N ATOM 169 CA ILE A 12 -5.405 -8.318 2.952 1.00 2.03 C ATOM 170 C ILE A 12 -6.500 -7.716 3.823 1.00 72.44 C ATOM 171 O ILE A 12 -6.614 -8.048 5.004 1.00 45.40 O ATOM 172 CB ILE A 12 -5.938 -9.587 2.253 1.00 34.35 C ATOM 173 CG1 ILE A 12 -6.272 -10.671 3.281 1.00 40.41 C ATOM 174 CG2 ILE A 12 -4.912 -10.097 1.254 1.00 52.25 C ATOM 175 CD1 ILE A 12 -6.848 -11.933 2.674 1.00 64.34 C ATOM 0 H ILE A 12 -4.040 -9.595 3.894 1.00 35.24 H new ATOM 0 HA ILE A 12 -5.122 -7.594 2.188 1.00 2.03 H new ATOM 0 HB ILE A 12 -6.854 -9.334 1.719 1.00 34.35 H new ATOM 0 HG12 ILE A 12 -5.368 -10.925 3.834 1.00 40.41 H new ATOM 0 HG13 ILE A 12 -6.984 -10.268 4.002 1.00 40.41 H new ATOM 0 HG21 ILE A 12 -5.295 -10.993 0.765 1.00 52.25 H new ATOM 0 HG22 ILE A 12 -4.720 -9.328 0.505 1.00 52.25 H new ATOM 0 HG23 ILE A 12 -3.985 -10.336 1.775 1.00 52.25 H new ATOM 0 HD11 ILE A 12 -7.059 -12.653 3.464 1.00 64.34 H new ATOM 0 HD12 ILE A 12 -7.771 -11.694 2.145 1.00 64.34 H new ATOM 0 HD13 ILE A 12 -6.130 -12.361 1.975 1.00 64.34 H new ATOM 187 N LYS A 13 -7.291 -6.832 3.222 1.00 34.11 N ATOM 188 CA LYS A 13 -8.359 -6.123 3.920 1.00 12.35 C ATOM 189 C LYS A 13 -7.788 -5.318 5.086 1.00 22.41 C ATOM 190 O LYS A 13 -8.063 -5.587 6.258 1.00 70.32 O ATOM 191 CB LYS A 13 -9.445 -7.100 4.385 1.00 72.41 C ATOM 192 CG LYS A 13 -10.697 -6.426 4.929 1.00 23.34 C ATOM 193 CD LYS A 13 -11.812 -7.437 5.135 1.00 25.53 C ATOM 194 CE LYS A 13 -12.274 -8.023 3.810 1.00 14.04 C ATOM 195 NZ LYS A 13 -13.171 -9.193 4.001 1.00 75.52 N ATOM 0 H LYS A 13 -7.209 -6.587 2.235 1.00 34.11 H new ATOM 0 HA LYS A 13 -8.826 -5.422 3.228 1.00 12.35 H new ATOM 0 HB2 LYS A 13 -9.725 -7.740 3.548 1.00 72.41 H new ATOM 0 HB3 LYS A 13 -9.029 -7.748 5.157 1.00 72.41 H new ATOM 0 HG2 LYS A 13 -10.468 -5.934 5.874 1.00 23.34 H new ATOM 0 HG3 LYS A 13 -11.027 -5.651 4.237 1.00 23.34 H new ATOM 0 HD2 LYS A 13 -11.465 -8.237 5.788 1.00 25.53 H new ATOM 0 HD3 LYS A 13 -12.653 -6.958 5.637 1.00 25.53 H new ATOM 0 HE2 LYS A 13 -12.795 -7.256 3.237 1.00 14.04 H new ATOM 0 HE3 LYS A 13 -11.405 -8.324 3.224 1.00 14.04 H new ATOM 0 HZ1 LYS A 13 -13.463 -9.562 3.073 1.00 75.52 H new ATOM 0 HZ2 LYS A 13 -12.666 -9.936 4.526 1.00 75.52 H new ATOM 0 HZ3 LYS A 13 -14.013 -8.901 4.538 1.00 75.52 H new ATOM 209 N SER A 14 -6.958 -4.345 4.742 1.00 43.05 N ATOM 210 CA SER A 14 -6.351 -3.466 5.723 1.00 63.42 C ATOM 211 C SER A 14 -6.412 -2.026 5.234 1.00 62.11 C ATOM 212 O SER A 14 -6.409 -1.773 4.028 1.00 54.01 O ATOM 213 CB SER A 14 -4.895 -3.860 5.956 1.00 44.43 C ATOM 214 OG SER A 14 -4.773 -5.239 6.256 1.00 54.44 O ATOM 0 H SER A 14 -6.689 -4.145 3.779 1.00 43.05 H new ATOM 0 HA SER A 14 -6.900 -3.557 6.660 1.00 63.42 H new ATOM 0 HB2 SER A 14 -4.307 -3.626 5.069 1.00 44.43 H new ATOM 0 HB3 SER A 14 -4.484 -3.270 6.775 1.00 44.43 H new ATOM 0 HG SER A 14 -4.354 -5.702 5.501 1.00 54.44 H new ATOM 220 N LYS A 15 -6.465 -1.090 6.163 1.00 71.44 N ATOM 221 CA LYS A 15 -6.500 0.319 5.810 1.00 1.12 C ATOM 222 C LYS A 15 -5.276 1.026 6.369 1.00 30.14 C ATOM 223 O LYS A 15 -5.130 1.184 7.583 1.00 64.52 O ATOM 224 CB LYS A 15 -7.789 0.956 6.323 1.00 20.12 C ATOM 225 CG LYS A 15 -8.035 2.366 5.815 1.00 35.41 C ATOM 226 CD LYS A 15 -9.468 2.801 6.086 1.00 50.15 C ATOM 227 CE LYS A 15 -9.740 4.203 5.566 1.00 72.52 C ATOM 228 NZ LYS A 15 -8.968 5.232 6.308 1.00 10.35 N ATOM 0 H LYS A 15 -6.485 -1.278 7.165 1.00 71.44 H new ATOM 0 HA LYS A 15 -6.483 0.419 4.725 1.00 1.12 H new ATOM 0 HB2 LYS A 15 -8.631 0.327 6.035 1.00 20.12 H new ATOM 0 HB3 LYS A 15 -7.763 0.974 7.413 1.00 20.12 H new ATOM 0 HG2 LYS A 15 -7.344 3.056 6.299 1.00 35.41 H new ATOM 0 HG3 LYS A 15 -7.834 2.411 4.745 1.00 35.41 H new ATOM 0 HD2 LYS A 15 -10.156 2.099 5.615 1.00 50.15 H new ATOM 0 HD3 LYS A 15 -9.662 2.767 7.158 1.00 50.15 H new ATOM 0 HE2 LYS A 15 -9.485 4.253 4.507 1.00 72.52 H new ATOM 0 HE3 LYS A 15 -10.805 4.420 5.648 1.00 72.52 H new ATOM 0 HZ1 LYS A 15 -9.623 5.843 6.837 1.00 10.35 H new ATOM 0 HZ2 LYS A 15 -8.317 4.766 6.972 1.00 10.35 H new ATOM 0 HZ3 LYS A 15 -8.423 5.809 5.636 1.00 10.35 H new ATOM 242 N VAL A 16 -4.395 1.437 5.477 1.00 51.41 N ATOM 243 CA VAL A 16 -3.117 2.011 5.872 1.00 0.10 C ATOM 244 C VAL A 16 -2.916 3.401 5.285 1.00 24.15 C ATOM 245 O VAL A 16 -3.655 3.834 4.398 1.00 64.51 O ATOM 246 CB VAL A 16 -1.934 1.108 5.453 1.00 21.24 C ATOM 247 CG1 VAL A 16 -1.992 -0.231 6.171 1.00 70.01 C ATOM 248 CG2 VAL A 16 -1.915 0.905 3.944 1.00 54.24 C ATOM 0 H VAL A 16 -4.539 1.385 4.469 1.00 51.41 H new ATOM 0 HA VAL A 16 -3.139 2.087 6.959 1.00 0.10 H new ATOM 0 HB VAL A 16 -1.011 1.610 5.742 1.00 21.24 H new ATOM 0 HG11 VAL A 16 -1.149 -0.848 5.859 1.00 70.01 H new ATOM 0 HG12 VAL A 16 -1.944 -0.069 7.248 1.00 70.01 H new ATOM 0 HG13 VAL A 16 -2.924 -0.738 5.921 1.00 70.01 H new ATOM 0 HG21 VAL A 16 -1.074 0.267 3.673 1.00 54.24 H new ATOM 0 HG22 VAL A 16 -2.845 0.433 3.629 1.00 54.24 H new ATOM 0 HG23 VAL A 16 -1.812 1.870 3.448 1.00 54.24 H new ATOM 258 N LYS A 17 -1.913 4.087 5.801 1.00 32.35 N ATOM 259 CA LYS A 17 -1.571 5.425 5.355 1.00 34.25 C ATOM 260 C LYS A 17 -0.169 5.439 4.772 1.00 2.40 C ATOM 261 O LYS A 17 0.714 4.724 5.245 1.00 61.33 O ATOM 262 CB LYS A 17 -1.637 6.391 6.531 1.00 2.44 C ATOM 263 CG LYS A 17 -1.197 7.807 6.204 1.00 21.21 C ATOM 264 CD LYS A 17 -1.038 8.641 7.463 1.00 4.33 C ATOM 265 CE LYS A 17 -0.619 10.060 7.131 1.00 23.12 C ATOM 266 NZ LYS A 17 -0.388 10.877 8.347 1.00 44.32 N ATOM 0 H LYS A 17 -1.311 3.731 6.543 1.00 32.35 H new ATOM 0 HA LYS A 17 -2.282 5.732 4.588 1.00 34.25 H new ATOM 0 HB2 LYS A 17 -2.660 6.419 6.906 1.00 2.44 H new ATOM 0 HB3 LYS A 17 -1.012 6.006 7.337 1.00 2.44 H new ATOM 0 HG2 LYS A 17 -0.252 7.780 5.662 1.00 21.21 H new ATOM 0 HG3 LYS A 17 -1.929 8.275 5.546 1.00 21.21 H new ATOM 0 HD2 LYS A 17 -1.979 8.656 8.014 1.00 4.33 H new ATOM 0 HD3 LYS A 17 -0.294 8.182 8.115 1.00 4.33 H new ATOM 0 HE2 LYS A 17 0.292 10.037 6.533 1.00 23.12 H new ATOM 0 HE3 LYS A 17 -1.390 10.531 6.520 1.00 23.12 H new ATOM 0 HZ1 LYS A 17 -0.104 11.838 8.070 1.00 44.32 H new ATOM 0 HZ2 LYS A 17 -1.264 10.922 8.906 1.00 44.32 H new ATOM 0 HZ3 LYS A 17 0.366 10.444 8.918 1.00 44.32 H new ATOM 280 N VAL A 18 0.033 6.266 3.765 1.00 54.42 N ATOM 281 CA VAL A 18 1.332 6.389 3.128 1.00 62.20 C ATOM 282 C VAL A 18 2.225 7.323 3.929 1.00 41.43 C ATOM 283 O VAL A 18 2.109 8.547 3.825 1.00 32.03 O ATOM 284 CB VAL A 18 1.218 6.916 1.684 1.00 31.02 C ATOM 285 CG1 VAL A 18 2.585 6.953 1.010 1.00 65.10 C ATOM 286 CG2 VAL A 18 0.249 6.066 0.883 1.00 43.14 C ATOM 0 H VAL A 18 -0.690 6.866 3.368 1.00 54.42 H new ATOM 0 HA VAL A 18 1.769 5.391 3.095 1.00 62.20 H new ATOM 0 HB VAL A 18 0.833 7.935 1.722 1.00 31.02 H new ATOM 0 HG11 VAL A 18 2.479 7.328 -0.008 1.00 65.10 H new ATOM 0 HG12 VAL A 18 3.250 7.610 1.571 1.00 65.10 H new ATOM 0 HG13 VAL A 18 3.005 5.948 0.984 1.00 65.10 H new ATOM 0 HG21 VAL A 18 0.181 6.452 -0.134 1.00 43.14 H new ATOM 0 HG22 VAL A 18 0.604 5.036 0.857 1.00 43.14 H new ATOM 0 HG23 VAL A 18 -0.735 6.098 1.350 1.00 43.14 H new ATOM 296 N ILE A 19 3.081 6.737 4.753 1.00 24.33 N ATOM 297 CA ILE A 19 4.065 7.501 5.509 1.00 4.13 C ATOM 298 C ILE A 19 4.998 8.235 4.556 1.00 30.24 C ATOM 299 O ILE A 19 5.243 9.436 4.700 1.00 42.43 O ATOM 300 CB ILE A 19 4.908 6.599 6.431 1.00 70.44 C ATOM 301 CG1 ILE A 19 4.004 5.754 7.331 1.00 54.52 C ATOM 302 CG2 ILE A 19 5.859 7.442 7.272 1.00 50.33 C ATOM 303 CD1 ILE A 19 4.770 4.855 8.277 1.00 40.21 C ATOM 0 H ILE A 19 3.115 5.731 4.916 1.00 24.33 H new ATOM 0 HA ILE A 19 3.516 8.211 6.128 1.00 4.13 H new ATOM 0 HB ILE A 19 5.498 5.926 5.809 1.00 70.44 H new ATOM 0 HG12 ILE A 19 3.361 6.415 7.911 1.00 54.52 H new ATOM 0 HG13 ILE A 19 3.352 5.142 6.707 1.00 54.52 H new ATOM 0 HG21 ILE A 19 6.448 6.791 7.918 1.00 50.33 H new ATOM 0 HG22 ILE A 19 6.526 8.002 6.616 1.00 50.33 H new ATOM 0 HG23 ILE A 19 5.284 8.137 7.884 1.00 50.33 H new ATOM 0 HD11 ILE A 19 4.068 4.285 8.885 1.00 40.21 H new ATOM 0 HD12 ILE A 19 5.393 4.169 7.703 1.00 40.21 H new ATOM 0 HD13 ILE A 19 5.401 5.463 8.925 1.00 40.21 H new ATOM 315 N GLY A 20 5.507 7.501 3.579 1.00 62.03 N ATOM 316 CA GLY A 20 6.374 8.088 2.586 1.00 51.23 C ATOM 317 C GLY A 20 6.719 7.119 1.482 1.00 60.20 C ATOM 318 O GLY A 20 6.594 5.901 1.638 1.00 45.44 O ATOM 0 H GLY A 20 5.332 6.503 3.458 1.00 62.03 H new ATOM 0 HA2 GLY A 20 5.890 8.966 2.158 1.00 51.23 H new ATOM 0 HA3 GLY A 20 7.291 8.431 3.065 1.00 51.23 H new ATOM 322 N ILE A 21 7.158 7.673 0.369 1.00 73.15 N ATOM 323 CA ILE A 21 7.558 6.893 -0.787 1.00 1.41 C ATOM 324 C ILE A 21 9.079 6.738 -0.786 1.00 64.31 C ATOM 325 O ILE A 21 9.778 7.520 -0.144 1.00 53.20 O ATOM 326 CB ILE A 21 7.088 7.579 -2.093 1.00 63.15 C ATOM 327 CG1 ILE A 21 5.572 7.808 -2.052 1.00 31.55 C ATOM 328 CG2 ILE A 21 7.463 6.754 -3.321 1.00 23.32 C ATOM 329 CD1 ILE A 21 5.031 8.514 -3.277 1.00 4.50 C ATOM 0 H ILE A 21 7.248 8.681 0.240 1.00 73.15 H new ATOM 0 HA ILE A 21 7.093 5.909 -0.735 1.00 1.41 H new ATOM 0 HB ILE A 21 7.594 8.541 -2.169 1.00 63.15 H new ATOM 0 HG12 ILE A 21 5.071 6.846 -1.947 1.00 31.55 H new ATOM 0 HG13 ILE A 21 5.326 8.394 -1.167 1.00 31.55 H new ATOM 0 HG21 ILE A 21 7.119 7.264 -4.221 1.00 23.32 H new ATOM 0 HG22 ILE A 21 8.546 6.636 -3.363 1.00 23.32 H new ATOM 0 HG23 ILE A 21 6.993 5.773 -3.257 1.00 23.32 H new ATOM 0 HD11 ILE A 21 3.953 8.641 -3.177 1.00 4.50 H new ATOM 0 HD12 ILE A 21 5.504 9.491 -3.373 1.00 4.50 H new ATOM 0 HD13 ILE A 21 5.245 7.919 -4.164 1.00 4.50 H new ATOM 341 N VAL A 22 9.585 5.719 -1.463 1.00 61.14 N ATOM 342 CA VAL A 22 11.023 5.507 -1.572 1.00 23.14 C ATOM 343 C VAL A 22 11.521 5.964 -2.947 1.00 62.40 C ATOM 344 O VAL A 22 11.492 5.205 -3.916 1.00 72.34 O ATOM 345 CB VAL A 22 11.411 4.032 -1.339 1.00 54.32 C ATOM 346 CG1 VAL A 22 12.923 3.857 -1.380 1.00 11.15 C ATOM 347 CG2 VAL A 22 10.853 3.535 -0.013 1.00 52.24 C ATOM 0 H VAL A 22 9.020 5.022 -1.948 1.00 61.14 H new ATOM 0 HA VAL A 22 11.499 6.102 -0.792 1.00 23.14 H new ATOM 0 HB VAL A 22 10.977 3.436 -2.142 1.00 54.32 H new ATOM 0 HG11 VAL A 22 13.173 2.809 -1.213 1.00 11.15 H new ATOM 0 HG12 VAL A 22 13.299 4.169 -2.354 1.00 11.15 H new ATOM 0 HG13 VAL A 22 13.381 4.467 -0.602 1.00 11.15 H new ATOM 0 HG21 VAL A 22 11.137 2.493 0.134 1.00 52.24 H new ATOM 0 HG22 VAL A 22 11.256 4.139 0.800 1.00 52.24 H new ATOM 0 HG23 VAL A 22 9.766 3.617 -0.022 1.00 52.24 H new ATOM 357 N PRO A 23 11.910 7.248 -3.063 1.00 33.13 N ATOM 358 CA PRO A 23 12.360 7.835 -4.328 1.00 12.55 C ATOM 359 C PRO A 23 13.653 7.204 -4.833 1.00 54.32 C ATOM 360 O PRO A 23 14.307 6.446 -4.113 1.00 33.40 O ATOM 361 CB PRO A 23 12.581 9.315 -3.997 1.00 43.41 C ATOM 362 CG PRO A 23 11.884 9.533 -2.699 1.00 40.41 C ATOM 363 CD PRO A 23 11.969 8.227 -1.972 1.00 71.51 C ATOM 0 HA PRO A 23 11.632 7.674 -5.123 1.00 12.55 H new ATOM 0 HB2 PRO A 23 13.643 9.546 -3.917 1.00 43.41 H new ATOM 0 HB3 PRO A 23 12.172 9.958 -4.776 1.00 43.41 H new ATOM 0 HG2 PRO A 23 12.359 10.331 -2.128 1.00 40.41 H new ATOM 0 HG3 PRO A 23 10.846 9.827 -2.856 1.00 40.41 H new ATOM 0 HD2 PRO A 23 12.893 8.141 -1.400 1.00 71.51 H new ATOM 0 HD3 PRO A 23 11.146 8.100 -1.269 1.00 71.51 H new ATOM 371 N GLU A 24 14.012 7.538 -6.072 1.00 5.44 N ATOM 372 CA GLU A 24 15.165 6.964 -6.750 1.00 50.13 C ATOM 373 C GLU A 24 14.999 5.462 -6.984 1.00 75.24 C ATOM 374 O GLU A 24 15.927 4.783 -7.423 1.00 1.32 O ATOM 375 CB GLU A 24 16.446 7.264 -5.987 1.00 34.21 C ATOM 376 CG GLU A 24 17.016 8.647 -6.263 1.00 31.21 C ATOM 377 CD GLU A 24 16.049 9.771 -5.958 1.00 54.45 C ATOM 378 OE1 GLU A 24 15.952 10.176 -4.779 1.00 74.11 O ATOM 379 OE2 GLU A 24 15.393 10.267 -6.899 1.00 15.55 O ATOM 0 H GLU A 24 13.504 8.220 -6.635 1.00 5.44 H new ATOM 0 HA GLU A 24 15.235 7.434 -7.731 1.00 50.13 H new ATOM 0 HB2 GLU A 24 16.252 7.168 -4.919 1.00 34.21 H new ATOM 0 HB3 GLU A 24 17.195 6.515 -6.244 1.00 34.21 H new ATOM 0 HG2 GLU A 24 17.919 8.784 -5.668 1.00 31.21 H new ATOM 0 HG3 GLU A 24 17.312 8.707 -7.310 1.00 31.21 H new ATOM 386 N SER A 25 13.815 4.951 -6.694 1.00 63.23 N ATOM 387 CA SER A 25 13.456 3.603 -7.046 1.00 63.33 C ATOM 388 C SER A 25 12.785 3.619 -8.412 1.00 75.14 C ATOM 389 O SER A 25 12.222 4.642 -8.816 1.00 53.35 O ATOM 390 CB SER A 25 12.524 3.039 -5.982 1.00 12.35 C ATOM 391 OG SER A 25 13.252 2.355 -4.974 1.00 72.03 O ATOM 0 H SER A 25 13.081 5.465 -6.208 1.00 63.23 H new ATOM 0 HA SER A 25 14.340 2.968 -7.097 1.00 63.33 H new ATOM 0 HB2 SER A 25 11.948 3.848 -5.533 1.00 12.35 H new ATOM 0 HB3 SER A 25 11.810 2.358 -6.444 1.00 12.35 H new ATOM 0 HG SER A 25 12.628 1.894 -4.375 1.00 72.03 H new ATOM 397 N LYS A 26 12.857 2.509 -9.126 1.00 12.53 N ATOM 398 CA LYS A 26 12.345 2.453 -10.486 1.00 43.44 C ATOM 399 C LYS A 26 10.823 2.531 -10.502 1.00 52.35 C ATOM 400 O LYS A 26 10.241 3.298 -11.269 1.00 62.33 O ATOM 401 CB LYS A 26 12.822 1.175 -11.183 1.00 51.42 C ATOM 402 CG LYS A 26 12.497 1.125 -12.671 1.00 23.10 C ATOM 403 CD LYS A 26 13.155 2.267 -13.433 1.00 5.33 C ATOM 404 CE LYS A 26 14.669 2.227 -13.310 1.00 20.44 C ATOM 405 NZ LYS A 26 15.322 3.311 -14.089 1.00 22.35 N ATOM 0 H LYS A 26 13.264 1.636 -8.789 1.00 12.53 H new ATOM 0 HA LYS A 26 12.733 3.315 -11.029 1.00 43.44 H new ATOM 0 HB2 LYS A 26 13.900 1.083 -11.053 1.00 51.42 H new ATOM 0 HB3 LYS A 26 12.367 0.314 -10.693 1.00 51.42 H new ATOM 0 HG2 LYS A 26 12.831 0.173 -13.084 1.00 23.10 H new ATOM 0 HG3 LYS A 26 11.417 1.171 -12.809 1.00 23.10 H new ATOM 0 HD2 LYS A 26 12.874 2.212 -14.485 1.00 5.33 H new ATOM 0 HD3 LYS A 26 12.784 3.219 -13.053 1.00 5.33 H new ATOM 0 HE2 LYS A 26 14.949 2.316 -12.260 1.00 20.44 H new ATOM 0 HE3 LYS A 26 15.035 1.261 -13.657 1.00 20.44 H new ATOM 0 HZ1 LYS A 26 16.354 3.246 -13.977 1.00 22.35 H new ATOM 0 HZ2 LYS A 26 15.076 3.212 -15.095 1.00 22.35 H new ATOM 0 HZ3 LYS A 26 14.993 4.235 -13.742 1.00 22.35 H new ATOM 419 N VAL A 27 10.181 1.765 -9.626 1.00 30.44 N ATOM 420 CA VAL A 27 8.722 1.724 -9.585 1.00 23.51 C ATOM 421 C VAL A 27 8.165 2.954 -8.876 1.00 62.44 C ATOM 422 O VAL A 27 6.957 3.184 -8.859 1.00 5.24 O ATOM 423 CB VAL A 27 8.194 0.447 -8.895 1.00 41.12 C ATOM 424 CG1 VAL A 27 8.711 -0.796 -9.603 1.00 25.44 C ATOM 425 CG2 VAL A 27 8.568 0.426 -7.421 1.00 35.02 C ATOM 0 H VAL A 27 10.643 1.168 -8.940 1.00 30.44 H new ATOM 0 HA VAL A 27 8.380 1.715 -10.620 1.00 23.51 H new ATOM 0 HB VAL A 27 7.106 0.452 -8.962 1.00 41.12 H new ATOM 0 HG11 VAL A 27 8.328 -1.685 -9.102 1.00 25.44 H new ATOM 0 HG12 VAL A 27 8.375 -0.790 -10.640 1.00 25.44 H new ATOM 0 HG13 VAL A 27 9.801 -0.804 -9.575 1.00 25.44 H new ATOM 0 HG21 VAL A 27 8.183 -0.484 -6.961 1.00 35.02 H new ATOM 0 HG22 VAL A 27 9.653 0.453 -7.321 1.00 35.02 H new ATOM 0 HG23 VAL A 27 8.136 1.294 -6.924 1.00 35.02 H new ATOM 435 N ARG A 28 9.065 3.749 -8.311 1.00 45.22 N ATOM 436 CA ARG A 28 8.703 4.978 -7.613 1.00 60.44 C ATOM 437 C ARG A 28 7.919 5.927 -8.524 1.00 40.41 C ATOM 438 O ARG A 28 6.989 6.599 -8.076 1.00 2.55 O ATOM 439 CB ARG A 28 9.980 5.633 -7.056 1.00 65.05 C ATOM 440 CG ARG A 28 9.915 7.140 -6.837 1.00 43.11 C ATOM 441 CD ARG A 28 10.312 7.908 -8.093 1.00 52.41 C ATOM 442 NE ARG A 28 11.584 7.436 -8.651 1.00 53.41 N ATOM 443 CZ ARG A 28 12.460 8.225 -9.280 1.00 23.35 C ATOM 444 NH1 ARG A 28 12.192 9.513 -9.447 1.00 25.41 N ATOM 445 NH2 ARG A 28 13.595 7.725 -9.757 1.00 51.34 N ATOM 0 H ARG A 28 10.067 3.560 -8.323 1.00 45.22 H new ATOM 0 HA ARG A 28 8.041 4.741 -6.780 1.00 60.44 H new ATOM 0 HB2 ARG A 28 10.224 5.158 -6.106 1.00 65.05 H new ATOM 0 HB3 ARG A 28 10.802 5.420 -7.739 1.00 65.05 H new ATOM 0 HG2 ARG A 28 8.904 7.422 -6.542 1.00 43.11 H new ATOM 0 HG3 ARG A 28 10.576 7.418 -6.016 1.00 43.11 H new ATOM 0 HD2 ARG A 28 9.528 7.805 -8.843 1.00 52.41 H new ATOM 0 HD3 ARG A 28 10.392 8.969 -7.858 1.00 52.41 H new ATOM 0 HE ARG A 28 11.813 6.447 -8.553 1.00 53.41 H new ATOM 0 HH11 ARG A 28 11.317 9.902 -9.095 1.00 25.41 H new ATOM 0 HH12 ARG A 28 12.861 10.115 -9.927 1.00 25.41 H new ATOM 0 HH21 ARG A 28 13.802 6.733 -9.644 1.00 51.34 H new ATOM 0 HH22 ARG A 28 14.259 8.333 -10.236 1.00 51.34 H new ATOM 459 N ARG A 29 8.284 5.966 -9.802 1.00 14.00 N ATOM 460 CA ARG A 29 7.593 6.823 -10.762 1.00 30.11 C ATOM 461 C ARG A 29 6.167 6.326 -10.973 1.00 41.14 C ATOM 462 O ARG A 29 5.227 7.114 -11.072 1.00 2.21 O ATOM 463 CB ARG A 29 8.334 6.856 -12.098 1.00 23.13 C ATOM 464 CG ARG A 29 7.705 7.812 -13.103 1.00 3.20 C ATOM 465 CD ARG A 29 8.402 7.756 -14.448 1.00 51.54 C ATOM 466 NE ARG A 29 7.816 8.697 -15.405 1.00 1.33 N ATOM 467 CZ ARG A 29 8.342 8.976 -16.597 1.00 51.33 C ATOM 468 NH1 ARG A 29 9.439 8.354 -17.008 1.00 4.34 N ATOM 469 NH2 ARG A 29 7.760 9.865 -17.385 1.00 1.43 N ATOM 0 H ARG A 29 9.049 5.418 -10.196 1.00 14.00 H new ATOM 0 HA ARG A 29 7.567 7.835 -10.358 1.00 30.11 H new ATOM 0 HB2 ARG A 29 9.370 7.148 -11.926 1.00 23.13 H new ATOM 0 HB3 ARG A 29 8.352 5.852 -12.522 1.00 23.13 H new ATOM 0 HG2 ARG A 29 6.651 7.564 -13.230 1.00 3.20 H new ATOM 0 HG3 ARG A 29 7.749 8.829 -12.713 1.00 3.20 H new ATOM 0 HD2 ARG A 29 9.460 7.982 -14.318 1.00 51.54 H new ATOM 0 HD3 ARG A 29 8.339 6.744 -14.848 1.00 51.54 H new ATOM 0 HE ARG A 29 6.951 9.169 -15.142 1.00 1.33 H new ATOM 0 HH11 ARG A 29 9.885 7.658 -16.411 1.00 4.34 H new ATOM 0 HH12 ARG A 29 9.837 8.572 -17.922 1.00 4.34 H new ATOM 0 HH21 ARG A 29 6.909 10.337 -17.080 1.00 1.43 H new ATOM 0 HH22 ARG A 29 8.163 10.079 -18.297 1.00 1.43 H new ATOM 483 N LYS A 30 6.025 5.009 -11.017 1.00 22.22 N ATOM 484 CA LYS A 30 4.731 4.365 -11.192 1.00 51.35 C ATOM 485 C LYS A 30 3.819 4.689 -10.010 1.00 42.02 C ATOM 486 O LYS A 30 2.662 5.064 -10.186 1.00 52.30 O ATOM 487 CB LYS A 30 4.933 2.852 -11.316 1.00 61.15 C ATOM 488 CG LYS A 30 3.678 2.081 -11.676 1.00 31.32 C ATOM 489 CD LYS A 30 3.956 0.590 -11.744 1.00 11.12 C ATOM 490 CE LYS A 30 2.714 -0.196 -12.120 1.00 72.24 C ATOM 491 NZ LYS A 30 2.947 -1.660 -12.042 1.00 41.33 N ATOM 0 H LYS A 30 6.804 4.356 -10.932 1.00 22.22 H new ATOM 0 HA LYS A 30 4.258 4.738 -12.100 1.00 51.35 H new ATOM 0 HB2 LYS A 30 5.693 2.660 -12.073 1.00 61.15 H new ATOM 0 HB3 LYS A 30 5.321 2.471 -10.371 1.00 61.15 H new ATOM 0 HG2 LYS A 30 2.902 2.276 -10.936 1.00 31.32 H new ATOM 0 HG3 LYS A 30 3.297 2.428 -12.637 1.00 31.32 H new ATOM 0 HD2 LYS A 30 4.742 0.399 -12.474 1.00 11.12 H new ATOM 0 HD3 LYS A 30 4.327 0.245 -10.779 1.00 11.12 H new ATOM 0 HE2 LYS A 30 1.895 0.078 -11.455 1.00 72.24 H new ATOM 0 HE3 LYS A 30 2.407 0.070 -13.131 1.00 72.24 H new ATOM 0 HZ1 LYS A 30 2.201 -2.159 -12.568 1.00 41.33 H new ATOM 0 HZ2 LYS A 30 3.873 -1.887 -12.457 1.00 41.33 H new ATOM 0 HZ3 LYS A 30 2.930 -1.962 -11.047 1.00 41.33 H new ATOM 505 N ILE A 31 4.369 4.557 -8.807 1.00 71.32 N ATOM 506 CA ILE A 31 3.643 4.846 -7.569 1.00 24.13 C ATOM 507 C ILE A 31 3.121 6.286 -7.549 1.00 24.53 C ATOM 508 O ILE A 31 1.950 6.532 -7.252 1.00 34.41 O ATOM 509 CB ILE A 31 4.552 4.619 -6.339 1.00 10.11 C ATOM 510 CG1 ILE A 31 5.099 3.187 -6.339 1.00 42.20 C ATOM 511 CG2 ILE A 31 3.794 4.907 -5.048 1.00 14.11 C ATOM 512 CD1 ILE A 31 6.199 2.956 -5.324 1.00 60.31 C ATOM 0 H ILE A 31 5.330 4.247 -8.660 1.00 71.32 H new ATOM 0 HA ILE A 31 2.793 4.165 -7.527 1.00 24.13 H new ATOM 0 HB ILE A 31 5.393 5.310 -6.398 1.00 10.11 H new ATOM 0 HG12 ILE A 31 4.281 2.495 -6.139 1.00 42.20 H new ATOM 0 HG13 ILE A 31 5.479 2.953 -7.333 1.00 42.20 H new ATOM 0 HG21 ILE A 31 4.452 4.741 -4.195 1.00 14.11 H new ATOM 0 HG22 ILE A 31 3.455 5.943 -5.049 1.00 14.11 H new ATOM 0 HG23 ILE A 31 2.932 4.243 -4.976 1.00 14.11 H new ATOM 0 HD11 ILE A 31 6.536 1.921 -5.382 1.00 60.31 H new ATOM 0 HD12 ILE A 31 7.035 3.623 -5.536 1.00 60.31 H new ATOM 0 HD13 ILE A 31 5.818 3.158 -4.323 1.00 60.31 H new ATOM 524 N MET A 32 3.993 7.233 -7.878 1.00 44.51 N ATOM 525 CA MET A 32 3.614 8.644 -7.885 1.00 10.35 C ATOM 526 C MET A 32 2.572 8.919 -8.961 1.00 40.31 C ATOM 527 O MET A 32 1.649 9.711 -8.762 1.00 54.25 O ATOM 528 CB MET A 32 4.840 9.535 -8.103 1.00 55.41 C ATOM 529 CG MET A 32 5.808 9.544 -6.931 1.00 3.34 C ATOM 530 SD MET A 32 7.246 10.590 -7.229 1.00 60.31 S ATOM 531 CE MET A 32 8.087 10.467 -5.654 1.00 35.52 C ATOM 0 H MET A 32 4.962 7.052 -8.142 1.00 44.51 H new ATOM 0 HA MET A 32 3.181 8.878 -6.913 1.00 10.35 H new ATOM 0 HB2 MET A 32 5.368 9.199 -8.996 1.00 55.41 H new ATOM 0 HB3 MET A 32 4.507 10.555 -8.295 1.00 55.41 H new ATOM 0 HG2 MET A 32 5.289 9.892 -6.038 1.00 3.34 H new ATOM 0 HG3 MET A 32 6.139 8.525 -6.730 1.00 3.34 H new ATOM 0 HE1 MET A 32 8.999 11.063 -5.681 1.00 35.52 H new ATOM 0 HE2 MET A 32 7.435 10.838 -4.863 1.00 35.52 H new ATOM 0 HE3 MET A 32 8.340 9.425 -5.457 1.00 35.52 H new ATOM 541 N ASP A 33 2.716 8.246 -10.097 1.00 52.51 N ATOM 542 CA ASP A 33 1.801 8.424 -11.220 1.00 42.53 C ATOM 543 C ASP A 33 0.426 7.855 -10.886 1.00 13.23 C ATOM 544 O ASP A 33 -0.596 8.354 -11.359 1.00 3.43 O ATOM 545 CB ASP A 33 2.356 7.747 -12.471 1.00 21.03 C ATOM 546 CG ASP A 33 1.621 8.161 -13.727 1.00 61.41 C ATOM 547 OD1 ASP A 33 1.899 9.267 -14.237 1.00 43.42 O ATOM 548 OD2 ASP A 33 0.774 7.387 -14.214 1.00 0.05 O ATOM 0 H ASP A 33 3.460 7.569 -10.266 1.00 52.51 H new ATOM 0 HA ASP A 33 1.700 9.492 -11.413 1.00 42.53 H new ATOM 0 HB2 ASP A 33 3.413 7.992 -12.575 1.00 21.03 H new ATOM 0 HB3 ASP A 33 2.290 6.665 -12.355 1.00 21.03 H new ATOM 553 N MET A 34 0.410 6.813 -10.057 1.00 34.22 N ATOM 554 CA MET A 34 -0.835 6.213 -9.588 1.00 71.23 C ATOM 555 C MET A 34 -1.691 7.239 -8.859 1.00 63.13 C ATOM 556 O MET A 34 -2.919 7.186 -8.911 1.00 45.24 O ATOM 557 CB MET A 34 -0.547 5.037 -8.652 1.00 55.44 C ATOM 558 CG MET A 34 -0.033 3.797 -9.359 1.00 4.24 C ATOM 559 SD MET A 34 0.243 2.427 -8.226 1.00 25.13 S ATOM 560 CE MET A 34 0.776 1.160 -9.370 1.00 43.40 C ATOM 0 H MET A 34 1.252 6.365 -9.695 1.00 34.22 H new ATOM 0 HA MET A 34 -1.379 5.853 -10.461 1.00 71.23 H new ATOM 0 HB2 MET A 34 0.186 5.349 -7.908 1.00 55.44 H new ATOM 0 HB3 MET A 34 -1.460 4.783 -8.113 1.00 55.44 H new ATOM 0 HG2 MET A 34 -0.749 3.495 -10.123 1.00 4.24 H new ATOM 0 HG3 MET A 34 0.899 4.034 -9.872 1.00 4.24 H new ATOM 0 HE1 MET A 34 -0.011 0.414 -9.479 1.00 43.40 H new ATOM 0 HE2 MET A 34 0.986 1.611 -10.340 1.00 43.40 H new ATOM 0 HE3 MET A 34 1.678 0.682 -8.989 1.00 43.40 H new ATOM 570 N GLY A 35 -1.035 8.179 -8.193 1.00 3.13 N ATOM 571 CA GLY A 35 -1.753 9.196 -7.453 1.00 23.10 C ATOM 572 C GLY A 35 -1.320 9.263 -6.008 1.00 64.53 C ATOM 573 O GLY A 35 -1.857 10.046 -5.226 1.00 2.44 O ATOM 0 H GLY A 35 -0.019 8.255 -8.152 1.00 3.13 H new ATOM 0 HA2 GLY A 35 -1.593 10.166 -7.924 1.00 23.10 H new ATOM 0 HA3 GLY A 35 -2.822 8.991 -7.501 1.00 23.10 H new ATOM 577 N ILE A 36 -0.351 8.436 -5.646 1.00 42.41 N ATOM 578 CA ILE A 36 0.167 8.421 -4.290 1.00 4.33 C ATOM 579 C ILE A 36 1.237 9.488 -4.122 1.00 44.23 C ATOM 580 O ILE A 36 2.134 9.622 -4.958 1.00 1.11 O ATOM 581 CB ILE A 36 0.758 7.045 -3.924 1.00 2.31 C ATOM 582 CG1 ILE A 36 -0.286 5.951 -4.149 1.00 64.32 C ATOM 583 CG2 ILE A 36 1.240 7.033 -2.479 1.00 12.14 C ATOM 584 CD1 ILE A 36 0.238 4.546 -3.937 1.00 42.41 C ATOM 0 H ILE A 36 0.092 7.766 -6.275 1.00 42.41 H new ATOM 0 HA ILE A 36 -0.668 8.627 -3.620 1.00 4.33 H new ATOM 0 HB ILE A 36 1.615 6.852 -4.569 1.00 2.31 H new ATOM 0 HG12 ILE A 36 -1.126 6.120 -3.475 1.00 64.32 H new ATOM 0 HG13 ILE A 36 -0.671 6.034 -5.165 1.00 64.32 H new ATOM 0 HG21 ILE A 36 1.653 6.053 -2.241 1.00 12.14 H new ATOM 0 HG22 ILE A 36 2.010 7.793 -2.346 1.00 12.14 H new ATOM 0 HG23 ILE A 36 0.402 7.244 -1.814 1.00 12.14 H new ATOM 0 HD11 ILE A 36 -0.563 3.828 -4.116 1.00 42.41 H new ATOM 0 HD12 ILE A 36 1.058 4.355 -4.630 1.00 42.41 H new ATOM 0 HD13 ILE A 36 0.597 4.442 -2.913 1.00 42.41 H new ATOM 596 N VAL A 37 1.133 10.246 -3.043 1.00 64.00 N ATOM 597 CA VAL A 37 2.086 11.313 -2.761 1.00 12.23 C ATOM 598 C VAL A 37 2.632 11.199 -1.337 1.00 42.55 C ATOM 599 O VAL A 37 3.773 10.783 -1.139 1.00 60.41 O ATOM 600 CB VAL A 37 1.472 12.720 -2.990 1.00 74.11 C ATOM 601 CG1 VAL A 37 1.534 13.092 -4.464 1.00 51.20 C ATOM 602 CG2 VAL A 37 0.028 12.784 -2.500 1.00 32.42 C ATOM 0 H VAL A 37 0.397 10.144 -2.345 1.00 64.00 H new ATOM 0 HA VAL A 37 2.910 11.194 -3.464 1.00 12.23 H new ATOM 0 HB VAL A 37 2.060 13.435 -2.414 1.00 74.11 H new ATOM 0 HG11 VAL A 37 1.100 14.081 -4.608 1.00 51.20 H new ATOM 0 HG12 VAL A 37 2.573 13.100 -4.794 1.00 51.20 H new ATOM 0 HG13 VAL A 37 0.974 12.361 -5.048 1.00 51.20 H new ATOM 0 HG21 VAL A 37 -0.372 13.783 -2.675 1.00 32.42 H new ATOM 0 HG22 VAL A 37 -0.573 12.053 -3.041 1.00 32.42 H new ATOM 0 HG23 VAL A 37 -0.004 12.562 -1.433 1.00 32.42 H new ATOM 612 N ARG A 38 1.818 11.564 -0.359 1.00 42.42 N ATOM 613 CA ARG A 38 2.179 11.428 1.043 1.00 65.43 C ATOM 614 C ARG A 38 0.952 11.675 1.901 1.00 12.41 C ATOM 615 O ARG A 38 0.161 12.579 1.620 1.00 34.22 O ATOM 616 CB ARG A 38 3.287 12.412 1.431 1.00 2.11 C ATOM 617 CG ARG A 38 3.972 12.065 2.744 1.00 22.33 C ATOM 618 CD ARG A 38 4.962 13.137 3.164 1.00 71.43 C ATOM 619 NE ARG A 38 4.298 14.326 3.703 1.00 72.05 N ATOM 620 CZ ARG A 38 4.870 15.527 3.789 1.00 11.02 C ATOM 621 NH1 ARG A 38 6.069 15.730 3.265 1.00 73.30 N ATOM 622 NH2 ARG A 38 4.228 16.526 4.380 1.00 14.54 N ATOM 0 H ARG A 38 0.892 11.962 -0.514 1.00 42.42 H new ATOM 0 HA ARG A 38 2.554 10.418 1.207 1.00 65.43 H new ATOM 0 HB2 ARG A 38 4.033 12.439 0.637 1.00 2.11 H new ATOM 0 HB3 ARG A 38 2.864 13.414 1.505 1.00 2.11 H new ATOM 0 HG2 ARG A 38 3.221 11.939 3.524 1.00 22.33 H new ATOM 0 HG3 ARG A 38 4.490 11.111 2.643 1.00 22.33 H new ATOM 0 HD2 ARG A 38 5.639 12.729 3.915 1.00 71.43 H new ATOM 0 HD3 ARG A 38 5.572 13.421 2.306 1.00 71.43 H new ATOM 0 HE ARG A 38 3.338 14.229 4.033 1.00 72.05 H new ATOM 0 HH11 ARG A 38 6.556 14.967 2.795 1.00 73.30 H new ATOM 0 HH12 ARG A 38 6.506 16.649 3.331 1.00 73.30 H new ATOM 0 HH21 ARG A 38 3.297 16.375 4.768 1.00 14.54 H new ATOM 0 HH22 ARG A 38 4.665 17.445 4.446 1.00 14.54 H new ATOM 636 N GLY A 39 0.782 10.865 2.934 1.00 42.11 N ATOM 637 CA GLY A 39 -0.394 10.975 3.770 1.00 20.10 C ATOM 638 C GLY A 39 -1.633 10.475 3.060 1.00 23.34 C ATOM 639 O GLY A 39 -2.756 10.775 3.459 1.00 41.53 O ATOM 0 H GLY A 39 1.437 10.133 3.208 1.00 42.11 H new ATOM 0 HA2 GLY A 39 -0.244 10.404 4.686 1.00 20.10 H new ATOM 0 HA3 GLY A 39 -0.537 12.015 4.062 1.00 20.10 H new ATOM 643 N THR A 40 -1.418 9.718 1.996 1.00 24.42 N ATOM 644 CA THR A 40 -2.507 9.156 1.222 1.00 12.10 C ATOM 645 C THR A 40 -3.029 7.890 1.900 1.00 52.14 C ATOM 646 O THR A 40 -2.284 7.208 2.603 1.00 72.52 O ATOM 647 CB THR A 40 -2.037 8.826 -0.207 1.00 21.15 C ATOM 648 OG1 THR A 40 -1.211 9.894 -0.696 1.00 15.01 O ATOM 649 CG2 THR A 40 -3.222 8.640 -1.145 1.00 14.01 C ATOM 0 H THR A 40 -0.489 9.479 1.648 1.00 24.42 H new ATOM 0 HA THR A 40 -3.310 9.891 1.166 1.00 12.10 H new ATOM 0 HB THR A 40 -1.471 7.895 -0.175 1.00 21.15 H new ATOM 0 HG1 THR A 40 -1.522 10.168 -1.584 1.00 15.01 H new ATOM 0 HG21 THR A 40 -2.860 8.408 -2.147 1.00 14.01 H new ATOM 0 HG22 THR A 40 -3.845 7.821 -0.786 1.00 14.01 H new ATOM 0 HG23 THR A 40 -3.810 9.557 -1.175 1.00 14.01 H new ATOM 657 N GLU A 41 -4.303 7.600 1.706 1.00 63.35 N ATOM 658 CA GLU A 41 -4.920 6.422 2.284 1.00 31.45 C ATOM 659 C GLU A 41 -4.925 5.276 1.290 1.00 33.13 C ATOM 660 O GLU A 41 -5.289 5.450 0.125 1.00 24.35 O ATOM 661 CB GLU A 41 -6.347 6.741 2.701 1.00 24.34 C ATOM 662 CG GLU A 41 -6.447 7.729 3.844 1.00 3.54 C ATOM 663 CD GLU A 41 -7.877 8.138 4.108 1.00 24.12 C ATOM 664 OE1 GLU A 41 -8.579 7.423 4.852 1.00 35.14 O ATOM 665 OE2 GLU A 41 -8.309 9.169 3.554 1.00 34.43 O ATOM 0 H GLU A 41 -4.935 8.172 1.146 1.00 63.35 H new ATOM 0 HA GLU A 41 -4.341 6.123 3.158 1.00 31.45 H new ATOM 0 HB2 GLU A 41 -6.886 7.140 1.841 1.00 24.34 H new ATOM 0 HB3 GLU A 41 -6.846 5.816 2.989 1.00 24.34 H new ATOM 0 HG2 GLU A 41 -6.023 7.286 4.745 1.00 3.54 H new ATOM 0 HG3 GLU A 41 -5.853 8.613 3.613 1.00 3.54 H new ATOM 672 N ILE A 42 -4.527 4.110 1.757 1.00 23.21 N ATOM 673 CA ILE A 42 -4.496 2.925 0.928 1.00 51.20 C ATOM 674 C ILE A 42 -5.332 1.817 1.555 1.00 1.10 C ATOM 675 O ILE A 42 -5.042 1.347 2.658 1.00 5.04 O ATOM 676 CB ILE A 42 -3.050 2.425 0.717 1.00 62.31 C ATOM 677 CG1 ILE A 42 -2.245 3.428 -0.117 1.00 11.45 C ATOM 678 CG2 ILE A 42 -3.043 1.052 0.055 1.00 41.13 C ATOM 679 CD1 ILE A 42 -0.817 2.990 -0.377 1.00 51.43 C ATOM 0 H ILE A 42 -4.218 3.959 2.717 1.00 23.21 H new ATOM 0 HA ILE A 42 -4.915 3.191 -0.043 1.00 51.20 H new ATOM 0 HB ILE A 42 -2.578 2.335 1.695 1.00 62.31 H new ATOM 0 HG12 ILE A 42 -2.749 3.582 -1.071 1.00 11.45 H new ATOM 0 HG13 ILE A 42 -2.234 4.389 0.397 1.00 11.45 H new ATOM 0 HG21 ILE A 42 -2.014 0.720 -0.084 1.00 41.13 H new ATOM 0 HG22 ILE A 42 -3.572 0.340 0.689 1.00 41.13 H new ATOM 0 HG23 ILE A 42 -3.538 1.113 -0.914 1.00 41.13 H new ATOM 0 HD11 ILE A 42 -0.307 3.747 -0.972 1.00 51.43 H new ATOM 0 HD12 ILE A 42 -0.297 2.864 0.572 1.00 51.43 H new ATOM 0 HD13 ILE A 42 -0.819 2.044 -0.918 1.00 51.43 H new ATOM 691 N TYR A 43 -6.389 1.429 0.866 1.00 44.53 N ATOM 692 CA TYR A 43 -7.200 0.304 1.295 1.00 73.43 C ATOM 693 C TYR A 43 -6.740 -0.957 0.581 1.00 30.10 C ATOM 694 O TYR A 43 -6.951 -1.110 -0.619 1.00 31.53 O ATOM 695 CB TYR A 43 -8.687 0.560 1.011 1.00 44.10 C ATOM 696 CG TYR A 43 -9.558 -0.668 1.187 1.00 21.20 C ATOM 697 CD1 TYR A 43 -9.744 -1.244 2.439 1.00 13.52 C ATOM 698 CD2 TYR A 43 -10.180 -1.260 0.096 1.00 32.23 C ATOM 699 CE1 TYR A 43 -10.529 -2.373 2.596 1.00 62.54 C ATOM 700 CE2 TYR A 43 -10.961 -2.387 0.245 1.00 32.11 C ATOM 701 CZ TYR A 43 -11.133 -2.941 1.496 1.00 70.23 C ATOM 702 OH TYR A 43 -11.907 -4.071 1.643 1.00 3.54 O ATOM 0 H TYR A 43 -6.707 1.876 0.006 1.00 44.53 H new ATOM 0 HA TYR A 43 -7.079 0.177 2.371 1.00 73.43 H new ATOM 0 HB2 TYR A 43 -9.045 1.347 1.675 1.00 44.10 H new ATOM 0 HB3 TYR A 43 -8.795 0.929 -0.009 1.00 44.10 H new ATOM 0 HD1 TYR A 43 -9.268 -0.803 3.303 1.00 13.52 H new ATOM 0 HD2 TYR A 43 -10.050 -0.831 -0.886 1.00 32.23 H new ATOM 0 HE1 TYR A 43 -10.667 -2.806 3.576 1.00 62.54 H new ATOM 0 HE2 TYR A 43 -11.436 -2.834 -0.615 1.00 32.11 H new ATOM 0 HH TYR A 43 -11.787 -4.653 0.864 1.00 3.54 H new ATOM 712 N ILE A 44 -6.092 -1.845 1.313 1.00 51.23 N ATOM 713 CA ILE A 44 -5.664 -3.113 0.753 1.00 71.35 C ATOM 714 C ILE A 44 -6.867 -4.026 0.614 1.00 44.22 C ATOM 715 O ILE A 44 -7.384 -4.529 1.607 1.00 24.13 O ATOM 716 CB ILE A 44 -4.597 -3.804 1.632 1.00 42.31 C ATOM 717 CG1 ILE A 44 -3.374 -2.900 1.797 1.00 31.03 C ATOM 718 CG2 ILE A 44 -4.194 -5.144 1.031 1.00 4.54 C ATOM 719 CD1 ILE A 44 -2.660 -2.594 0.495 1.00 5.52 C ATOM 0 H ILE A 44 -5.851 -1.711 2.295 1.00 51.23 H new ATOM 0 HA ILE A 44 -5.215 -2.916 -0.221 1.00 71.35 H new ATOM 0 HB ILE A 44 -5.027 -3.986 2.617 1.00 42.31 H new ATOM 0 HG12 ILE A 44 -3.686 -1.963 2.259 1.00 31.03 H new ATOM 0 HG13 ILE A 44 -2.672 -3.375 2.483 1.00 31.03 H new ATOM 0 HG21 ILE A 44 -3.442 -5.615 1.664 1.00 4.54 H new ATOM 0 HG22 ILE A 44 -5.069 -5.791 0.964 1.00 4.54 H new ATOM 0 HG23 ILE A 44 -3.782 -4.987 0.034 1.00 4.54 H new ATOM 0 HD11 ILE A 44 -1.804 -1.948 0.692 1.00 5.52 H new ATOM 0 HD12 ILE A 44 -2.316 -3.524 0.041 1.00 5.52 H new ATOM 0 HD13 ILE A 44 -3.345 -2.090 -0.186 1.00 5.52 H new ATOM 731 N GLU A 45 -7.328 -4.211 -0.613 1.00 13.45 N ATOM 732 CA GLU A 45 -8.483 -5.052 -0.863 1.00 72.10 C ATOM 733 C GLU A 45 -8.081 -6.512 -0.703 1.00 4.43 C ATOM 734 O GLU A 45 -8.583 -7.217 0.174 1.00 62.44 O ATOM 735 CB GLU A 45 -9.039 -4.801 -2.268 1.00 43.14 C ATOM 736 CG GLU A 45 -10.558 -4.729 -2.327 1.00 72.24 C ATOM 737 CD GLU A 45 -11.230 -5.948 -1.735 1.00 54.32 C ATOM 738 OE1 GLU A 45 -11.288 -6.991 -2.420 1.00 35.11 O ATOM 739 OE2 GLU A 45 -11.704 -5.870 -0.580 1.00 34.23 O ATOM 0 H GLU A 45 -6.920 -3.790 -1.448 1.00 13.45 H new ATOM 0 HA GLU A 45 -9.266 -4.810 -0.144 1.00 72.10 H new ATOM 0 HB2 GLU A 45 -8.626 -3.867 -2.650 1.00 43.14 H new ATOM 0 HB3 GLU A 45 -8.697 -5.596 -2.931 1.00 43.14 H new ATOM 0 HG2 GLU A 45 -10.895 -3.840 -1.794 1.00 72.24 H new ATOM 0 HG3 GLU A 45 -10.871 -4.616 -3.365 1.00 72.24 H new ATOM 746 N GLY A 46 -7.142 -6.951 -1.526 1.00 23.05 N ATOM 747 CA GLY A 46 -6.681 -8.318 -1.455 1.00 70.24 C ATOM 748 C GLY A 46 -5.453 -8.551 -2.303 1.00 43.05 C ATOM 749 O GLY A 46 -5.133 -7.747 -3.182 1.00 1.12 O ATOM 0 H GLY A 46 -6.691 -6.383 -2.243 1.00 23.05 H new ATOM 0 HA2 GLY A 46 -6.458 -8.571 -0.418 1.00 70.24 H new ATOM 0 HA3 GLY A 46 -7.478 -8.986 -1.782 1.00 70.24 H new ATOM 753 N LYS A 47 -4.760 -9.644 -2.031 1.00 4.35 N ATOM 754 CA LYS A 47 -3.585 -10.025 -2.794 1.00 50.00 C ATOM 755 C LYS A 47 -3.763 -11.441 -3.311 1.00 24.35 C ATOM 756 O LYS A 47 -4.492 -12.233 -2.713 1.00 70.35 O ATOM 757 CB LYS A 47 -2.320 -9.957 -1.933 1.00 31.10 C ATOM 758 CG LYS A 47 -2.074 -8.597 -1.300 1.00 32.25 C ATOM 759 CD LYS A 47 -0.867 -8.624 -0.377 1.00 2.31 C ATOM 760 CE LYS A 47 -1.062 -9.624 0.749 1.00 42.32 C ATOM 761 NZ LYS A 47 0.054 -9.590 1.735 1.00 33.44 N ATOM 0 H LYS A 47 -4.996 -10.290 -1.277 1.00 4.35 H new ATOM 0 HA LYS A 47 -3.473 -9.329 -3.625 1.00 50.00 H new ATOM 0 HB2 LYS A 47 -2.389 -10.706 -1.144 1.00 31.10 H new ATOM 0 HB3 LYS A 47 -1.460 -10.221 -2.548 1.00 31.10 H new ATOM 0 HG2 LYS A 47 -1.919 -7.853 -2.082 1.00 32.25 H new ATOM 0 HG3 LYS A 47 -2.956 -8.291 -0.738 1.00 32.25 H new ATOM 0 HD2 LYS A 47 0.025 -8.883 -0.947 1.00 2.31 H new ATOM 0 HD3 LYS A 47 -0.702 -7.630 0.039 1.00 2.31 H new ATOM 0 HE2 LYS A 47 -2.002 -9.414 1.260 1.00 42.32 H new ATOM 0 HE3 LYS A 47 -1.144 -10.627 0.331 1.00 42.32 H new ATOM 0 HZ1 LYS A 47 0.006 -10.432 2.343 1.00 33.44 H new ATOM 0 HZ2 LYS A 47 0.963 -9.579 1.230 1.00 33.44 H new ATOM 0 HZ3 LYS A 47 -0.027 -8.735 2.321 1.00 33.44 H new ATOM 775 N ALA A 48 -3.117 -11.754 -4.418 1.00 72.34 N ATOM 776 CA ALA A 48 -3.122 -13.115 -4.927 1.00 2.41 C ATOM 777 C ALA A 48 -2.346 -14.020 -3.975 1.00 21.31 C ATOM 778 O ALA A 48 -1.501 -13.535 -3.223 1.00 53.42 O ATOM 779 CB ALA A 48 -2.519 -13.154 -6.324 1.00 41.12 C ATOM 0 H ALA A 48 -2.585 -11.090 -4.980 1.00 72.34 H new ATOM 0 HA ALA A 48 -4.149 -13.474 -4.991 1.00 2.41 H new ATOM 0 HB1 ALA A 48 -2.528 -14.179 -6.696 1.00 41.12 H new ATOM 0 HB2 ALA A 48 -3.105 -12.521 -6.991 1.00 41.12 H new ATOM 0 HB3 ALA A 48 -1.492 -12.790 -6.287 1.00 41.12 H new ATOM 785 N PRO A 49 -2.619 -15.340 -3.979 1.00 34.11 N ATOM 786 CA PRO A 49 -1.927 -16.298 -3.101 1.00 4.41 C ATOM 787 C PRO A 49 -0.405 -16.184 -3.192 1.00 75.11 C ATOM 788 O PRO A 49 0.299 -16.337 -2.193 1.00 64.22 O ATOM 789 CB PRO A 49 -2.398 -17.657 -3.617 1.00 33.20 C ATOM 790 CG PRO A 49 -3.725 -17.386 -4.235 1.00 45.21 C ATOM 791 CD PRO A 49 -3.632 -16.004 -4.822 1.00 3.42 C ATOM 0 HA PRO A 49 -2.157 -16.124 -2.050 1.00 4.41 H new ATOM 0 HB2 PRO A 49 -1.699 -18.069 -4.345 1.00 33.20 H new ATOM 0 HB3 PRO A 49 -2.479 -18.382 -2.807 1.00 33.20 H new ATOM 0 HG2 PRO A 49 -3.955 -18.123 -5.005 1.00 45.21 H new ATOM 0 HG3 PRO A 49 -4.521 -17.442 -3.492 1.00 45.21 H new ATOM 0 HD2 PRO A 49 -3.328 -16.032 -5.868 1.00 3.42 H new ATOM 0 HD3 PRO A 49 -4.590 -15.486 -4.782 1.00 3.42 H new ATOM 799 N MET A 50 0.088 -15.890 -4.390 1.00 43.31 N ATOM 800 CA MET A 50 1.520 -15.705 -4.629 1.00 24.13 C ATOM 801 C MET A 50 2.054 -14.475 -3.884 1.00 51.12 C ATOM 802 O MET A 50 3.246 -14.379 -3.582 1.00 41.11 O ATOM 803 CB MET A 50 1.761 -15.558 -6.140 1.00 1.52 C ATOM 804 CG MET A 50 3.200 -15.244 -6.524 1.00 71.52 C ATOM 805 SD MET A 50 4.351 -16.561 -6.088 1.00 31.45 S ATOM 806 CE MET A 50 5.893 -15.873 -6.692 1.00 21.11 C ATOM 0 H MET A 50 -0.489 -15.773 -5.223 1.00 43.31 H new ATOM 0 HA MET A 50 2.055 -16.576 -4.252 1.00 24.13 H new ATOM 0 HB2 MET A 50 1.460 -16.482 -6.634 1.00 1.52 H new ATOM 0 HB3 MET A 50 1.116 -14.767 -6.522 1.00 1.52 H new ATOM 0 HG2 MET A 50 3.252 -15.064 -7.598 1.00 71.52 H new ATOM 0 HG3 MET A 50 3.508 -14.322 -6.031 1.00 71.52 H new ATOM 0 HE1 MET A 50 6.705 -16.573 -6.496 1.00 21.11 H new ATOM 0 HE2 MET A 50 5.817 -15.697 -7.765 1.00 21.11 H new ATOM 0 HE3 MET A 50 6.095 -14.931 -6.183 1.00 21.11 H new ATOM 816 N GLY A 51 1.159 -13.551 -3.569 1.00 14.20 N ATOM 817 CA GLY A 51 1.559 -12.289 -2.975 1.00 25.32 C ATOM 818 C GLY A 51 1.690 -11.212 -4.027 1.00 40.50 C ATOM 819 O GLY A 51 1.972 -10.056 -3.725 1.00 14.02 O ATOM 0 H GLY A 51 0.155 -13.653 -3.715 1.00 14.20 H new ATOM 0 HA2 GLY A 51 0.825 -11.986 -2.228 1.00 25.32 H new ATOM 0 HA3 GLY A 51 2.509 -12.413 -2.456 1.00 25.32 H new ATOM 823 N ASP A 52 1.485 -11.615 -5.270 1.00 44.43 N ATOM 824 CA ASP A 52 1.550 -10.717 -6.413 1.00 72.02 C ATOM 825 C ASP A 52 0.485 -11.124 -7.425 1.00 52.43 C ATOM 826 O ASP A 52 0.343 -12.313 -7.732 1.00 5.11 O ATOM 827 CB ASP A 52 2.945 -10.774 -7.054 1.00 30.15 C ATOM 828 CG ASP A 52 3.059 -9.935 -8.315 1.00 24.32 C ATOM 829 OD1 ASP A 52 2.696 -10.434 -9.401 1.00 34.05 O ATOM 830 OD2 ASP A 52 3.526 -8.779 -8.230 1.00 33.25 O ATOM 0 H ASP A 52 1.267 -12.580 -5.517 1.00 44.43 H new ATOM 0 HA ASP A 52 1.367 -9.694 -6.085 1.00 72.02 H new ATOM 0 HB2 ASP A 52 3.685 -10.432 -6.330 1.00 30.15 H new ATOM 0 HB3 ASP A 52 3.186 -11.810 -7.292 1.00 30.15 H new ATOM 835 N PRO A 53 -0.295 -10.166 -7.944 1.00 63.13 N ATOM 836 CA PRO A 53 -0.172 -8.751 -7.608 1.00 30.22 C ATOM 837 C PRO A 53 -1.027 -8.345 -6.407 1.00 53.01 C ATOM 838 O PRO A 53 -1.784 -9.154 -5.857 1.00 22.54 O ATOM 839 CB PRO A 53 -0.690 -8.080 -8.873 1.00 74.02 C ATOM 840 CG PRO A 53 -1.750 -9.003 -9.379 1.00 51.13 C ATOM 841 CD PRO A 53 -1.373 -10.393 -8.923 1.00 70.44 C ATOM 0 HA PRO A 53 0.844 -8.479 -7.323 1.00 30.22 H new ATOM 0 HB2 PRO A 53 -1.094 -7.090 -8.660 1.00 74.02 H new ATOM 0 HB3 PRO A 53 0.105 -7.949 -9.607 1.00 74.02 H new ATOM 0 HG2 PRO A 53 -2.728 -8.720 -8.989 1.00 51.13 H new ATOM 0 HG3 PRO A 53 -1.816 -8.957 -10.466 1.00 51.13 H new ATOM 0 HD2 PRO A 53 -2.220 -10.909 -8.471 1.00 70.44 H new ATOM 0 HD3 PRO A 53 -1.033 -11.008 -9.756 1.00 70.44 H new ATOM 849 N ILE A 54 -0.903 -7.087 -6.012 1.00 31.42 N ATOM 850 CA ILE A 54 -1.681 -6.543 -4.911 1.00 13.22 C ATOM 851 C ILE A 54 -2.774 -5.629 -5.453 1.00 14.30 C ATOM 852 O ILE A 54 -2.510 -4.772 -6.299 1.00 3.52 O ATOM 853 CB ILE A 54 -0.804 -5.742 -3.911 1.00 12.12 C ATOM 854 CG1 ILE A 54 0.304 -6.617 -3.309 1.00 41.13 C ATOM 855 CG2 ILE A 54 -1.662 -5.150 -2.802 1.00 65.43 C ATOM 856 CD1 ILE A 54 1.531 -6.766 -4.187 1.00 33.04 C ATOM 0 H ILE A 54 -0.264 -6.419 -6.443 1.00 31.42 H new ATOM 0 HA ILE A 54 -2.117 -7.387 -4.377 1.00 13.22 H new ATOM 0 HB ILE A 54 -0.331 -4.931 -4.465 1.00 12.12 H new ATOM 0 HG12 ILE A 54 0.606 -6.192 -2.352 1.00 41.13 H new ATOM 0 HG13 ILE A 54 -0.103 -7.607 -3.103 1.00 41.13 H new ATOM 0 HG21 ILE A 54 -1.030 -4.592 -2.111 1.00 65.43 H new ATOM 0 HG22 ILE A 54 -2.405 -4.480 -3.235 1.00 65.43 H new ATOM 0 HG23 ILE A 54 -2.167 -5.953 -2.265 1.00 65.43 H new ATOM 0 HD11 ILE A 54 2.263 -7.399 -3.685 1.00 33.04 H new ATOM 0 HD12 ILE A 54 1.247 -7.222 -5.135 1.00 33.04 H new ATOM 0 HD13 ILE A 54 1.967 -5.784 -4.372 1.00 33.04 H new ATOM 868 N ALA A 55 -3.998 -5.831 -4.988 1.00 22.13 N ATOM 869 CA ALA A 55 -5.110 -4.979 -5.377 1.00 74.24 C ATOM 870 C ALA A 55 -5.516 -4.080 -4.217 1.00 13.31 C ATOM 871 O ALA A 55 -5.990 -4.561 -3.186 1.00 34.21 O ATOM 872 CB ALA A 55 -6.290 -5.822 -5.835 1.00 40.21 C ATOM 0 H ALA A 55 -4.246 -6.579 -4.340 1.00 22.13 H new ATOM 0 HA ALA A 55 -4.793 -4.351 -6.209 1.00 74.24 H new ATOM 0 HB1 ALA A 55 -7.114 -5.169 -6.123 1.00 40.21 H new ATOM 0 HB2 ALA A 55 -5.993 -6.430 -6.690 1.00 40.21 H new ATOM 0 HB3 ALA A 55 -6.610 -6.473 -5.021 1.00 40.21 H new ATOM 878 N LEU A 56 -5.314 -2.783 -4.378 1.00 74.42 N ATOM 879 CA LEU A 56 -5.618 -1.826 -3.334 1.00 11.20 C ATOM 880 C LEU A 56 -6.470 -0.683 -3.874 1.00 53.33 C ATOM 881 O LEU A 56 -6.685 -0.582 -5.077 1.00 74.23 O ATOM 882 CB LEU A 56 -4.324 -1.277 -2.739 1.00 11.22 C ATOM 883 CG LEU A 56 -3.098 -1.292 -3.659 1.00 25.21 C ATOM 884 CD1 LEU A 56 -3.221 -0.240 -4.756 1.00 15.41 C ATOM 885 CD2 LEU A 56 -1.832 -1.075 -2.849 1.00 43.12 C ATOM 0 H LEU A 56 -4.937 -2.369 -5.231 1.00 74.42 H new ATOM 0 HA LEU A 56 -6.185 -2.336 -2.555 1.00 11.20 H new ATOM 0 HB2 LEU A 56 -4.502 -0.250 -2.421 1.00 11.22 H new ATOM 0 HB3 LEU A 56 -4.088 -1.851 -1.843 1.00 11.22 H new ATOM 0 HG LEU A 56 -3.044 -2.269 -4.139 1.00 25.21 H new ATOM 0 HD11 LEU A 56 -2.337 -0.274 -5.393 1.00 15.41 H new ATOM 0 HD12 LEU A 56 -4.109 -0.442 -5.356 1.00 15.41 H new ATOM 0 HD13 LEU A 56 -3.305 0.748 -4.304 1.00 15.41 H new ATOM 0 HD21 LEU A 56 -0.968 -1.088 -3.514 1.00 43.12 H new ATOM 0 HD22 LEU A 56 -1.885 -0.112 -2.342 1.00 43.12 H new ATOM 0 HD23 LEU A 56 -1.733 -1.870 -2.109 1.00 43.12 H new ATOM 897 N ARG A 57 -6.945 0.168 -2.980 1.00 14.24 N ATOM 898 CA ARG A 57 -7.749 1.322 -3.357 1.00 0.34 C ATOM 899 C ARG A 57 -7.181 2.583 -2.710 1.00 14.44 C ATOM 900 O ARG A 57 -7.139 2.694 -1.482 1.00 45.04 O ATOM 901 CB ARG A 57 -9.203 1.113 -2.924 1.00 60.11 C ATOM 902 CG ARG A 57 -10.167 2.148 -3.476 1.00 1.31 C ATOM 903 CD ARG A 57 -11.569 1.948 -2.927 1.00 42.12 C ATOM 904 NE ARG A 57 -12.071 0.594 -3.162 1.00 32.32 N ATOM 905 CZ ARG A 57 -13.159 0.093 -2.577 1.00 71.54 C ATOM 906 NH1 ARG A 57 -13.874 0.841 -1.746 1.00 34.33 N ATOM 907 NH2 ARG A 57 -13.532 -1.153 -2.826 1.00 55.43 N ATOM 0 H ARG A 57 -6.786 0.081 -1.976 1.00 14.24 H new ATOM 0 HA ARG A 57 -7.721 1.438 -4.440 1.00 0.34 H new ATOM 0 HB2 ARG A 57 -9.528 0.123 -3.243 1.00 60.11 H new ATOM 0 HB3 ARG A 57 -9.253 1.129 -1.835 1.00 60.11 H new ATOM 0 HG2 ARG A 57 -9.814 3.148 -3.222 1.00 1.31 H new ATOM 0 HG3 ARG A 57 -10.188 2.084 -4.564 1.00 1.31 H new ATOM 0 HD2 ARG A 57 -11.570 2.152 -1.856 1.00 42.12 H new ATOM 0 HD3 ARG A 57 -12.244 2.668 -3.389 1.00 42.12 H new ATOM 0 HE ARG A 57 -11.558 -0.002 -3.812 1.00 32.32 H new ATOM 0 HH11 ARG A 57 -13.592 1.802 -1.553 1.00 34.33 H new ATOM 0 HH12 ARG A 57 -14.706 0.455 -1.300 1.00 34.33 H new ATOM 0 HH21 ARG A 57 -12.987 -1.730 -3.466 1.00 55.43 H new ATOM 0 HH22 ARG A 57 -14.365 -1.535 -2.378 1.00 55.43 H new ATOM 921 N LEU A 58 -6.736 3.522 -3.533 1.00 14.23 N ATOM 922 CA LEU A 58 -6.130 4.751 -3.039 1.00 34.42 C ATOM 923 C LEU A 58 -6.658 5.955 -3.808 1.00 22.24 C ATOM 924 O LEU A 58 -7.036 5.836 -4.973 1.00 62.34 O ATOM 925 CB LEU A 58 -4.578 4.684 -3.080 1.00 71.32 C ATOM 926 CG LEU A 58 -3.861 4.551 -4.453 1.00 64.11 C ATOM 927 CD1 LEU A 58 -4.417 3.411 -5.296 1.00 10.21 C ATOM 928 CD2 LEU A 58 -3.890 5.859 -5.233 1.00 52.41 C ATOM 0 H LEU A 58 -6.783 3.456 -4.550 1.00 14.23 H new ATOM 0 HA LEU A 58 -6.414 4.867 -1.993 1.00 34.42 H new ATOM 0 HB2 LEU A 58 -4.198 5.584 -2.597 1.00 71.32 H new ATOM 0 HB3 LEU A 58 -4.270 3.838 -2.465 1.00 71.32 H new ATOM 0 HG LEU A 58 -2.822 4.310 -4.229 1.00 64.11 H new ATOM 0 HD11 LEU A 58 -3.880 3.364 -6.244 1.00 10.21 H new ATOM 0 HD12 LEU A 58 -4.293 2.469 -4.761 1.00 10.21 H new ATOM 0 HD13 LEU A 58 -5.476 3.583 -5.487 1.00 10.21 H new ATOM 0 HD21 LEU A 58 -3.379 5.725 -6.187 1.00 52.41 H new ATOM 0 HD22 LEU A 58 -4.924 6.152 -5.413 1.00 52.41 H new ATOM 0 HD23 LEU A 58 -3.388 6.637 -4.658 1.00 52.41 H new ATOM 940 N ARG A 59 -6.734 7.100 -3.123 1.00 35.24 N ATOM 941 CA ARG A 59 -7.187 8.372 -3.721 1.00 3.32 C ATOM 942 C ARG A 59 -8.689 8.347 -4.061 1.00 54.01 C ATOM 943 O ARG A 59 -9.318 9.396 -4.205 1.00 11.23 O ATOM 944 CB ARG A 59 -6.341 8.707 -4.964 1.00 60.20 C ATOM 945 CG ARG A 59 -6.764 9.970 -5.707 1.00 60.31 C ATOM 946 CD ARG A 59 -6.690 11.211 -4.826 1.00 63.53 C ATOM 947 NE ARG A 59 -7.032 12.426 -5.568 1.00 15.54 N ATOM 948 CZ ARG A 59 -8.163 13.112 -5.404 1.00 52.41 C ATOM 949 NH1 ARG A 59 -9.070 12.709 -4.526 1.00 54.31 N ATOM 950 NH2 ARG A 59 -8.385 14.209 -6.121 1.00 72.22 N ATOM 0 H ARG A 59 -6.484 7.177 -2.137 1.00 35.24 H new ATOM 0 HA ARG A 59 -7.045 9.158 -2.979 1.00 3.32 H new ATOM 0 HB2 ARG A 59 -5.300 8.814 -4.659 1.00 60.20 H new ATOM 0 HB3 ARG A 59 -6.386 7.865 -5.654 1.00 60.20 H new ATOM 0 HG2 ARG A 59 -6.124 10.107 -6.579 1.00 60.31 H new ATOM 0 HG3 ARG A 59 -7.783 9.848 -6.075 1.00 60.31 H new ATOM 0 HD2 ARG A 59 -7.369 11.098 -3.981 1.00 63.53 H new ATOM 0 HD3 ARG A 59 -5.684 11.306 -4.416 1.00 63.53 H new ATOM 0 HE ARG A 59 -6.361 12.770 -6.255 1.00 15.54 H new ATOM 0 HH11 ARG A 59 -8.905 11.869 -3.971 1.00 54.31 H new ATOM 0 HH12 ARG A 59 -9.933 13.238 -4.405 1.00 54.31 H new ATOM 0 HH21 ARG A 59 -7.690 14.526 -6.797 1.00 72.22 H new ATOM 0 HH22 ARG A 59 -9.251 14.734 -5.995 1.00 72.22 H new ATOM 964 N GLY A 60 -9.253 7.155 -4.166 1.00 14.33 N ATOM 965 CA GLY A 60 -10.662 7.011 -4.473 1.00 11.35 C ATOM 966 C GLY A 60 -10.918 5.819 -5.371 1.00 21.12 C ATOM 967 O GLY A 60 -12.010 5.250 -5.376 1.00 41.24 O ATOM 0 H GLY A 60 -8.754 6.274 -4.043 1.00 14.33 H new ATOM 0 HA2 GLY A 60 -11.227 6.898 -3.548 1.00 11.35 H new ATOM 0 HA3 GLY A 60 -11.024 7.917 -4.959 1.00 11.35 H new ATOM 971 N TYR A 61 -9.896 5.427 -6.115 1.00 20.45 N ATOM 972 CA TYR A 61 -10.009 4.326 -7.059 1.00 51.40 C ATOM 973 C TYR A 61 -9.118 3.162 -6.662 1.00 51.31 C ATOM 974 O TYR A 61 -8.142 3.329 -5.931 1.00 52.34 O ATOM 975 CB TYR A 61 -9.650 4.792 -8.470 1.00 71.53 C ATOM 976 CG TYR A 61 -8.484 5.762 -8.512 1.00 2.34 C ATOM 977 CD1 TYR A 61 -7.181 5.323 -8.315 1.00 41.21 C ATOM 978 CD2 TYR A 61 -8.691 7.116 -8.735 1.00 61.12 C ATOM 979 CE1 TYR A 61 -6.117 6.205 -8.341 1.00 31.41 C ATOM 980 CE2 TYR A 61 -7.632 8.007 -8.762 1.00 14.24 C ATOM 981 CZ TYR A 61 -6.346 7.547 -8.565 1.00 71.41 C ATOM 982 OH TYR A 61 -5.287 8.430 -8.581 1.00 43.34 O ATOM 0 H TYR A 61 -8.972 5.858 -6.083 1.00 20.45 H new ATOM 0 HA TYR A 61 -11.045 3.986 -7.044 1.00 51.40 H new ATOM 0 HB2 TYR A 61 -9.410 3.922 -9.081 1.00 71.53 H new ATOM 0 HB3 TYR A 61 -10.522 5.266 -8.920 1.00 71.53 H new ATOM 0 HD1 TYR A 61 -6.996 4.274 -8.138 1.00 41.21 H new ATOM 0 HD2 TYR A 61 -9.696 7.481 -8.890 1.00 61.12 H new ATOM 0 HE1 TYR A 61 -5.111 5.845 -8.187 1.00 31.41 H new ATOM 0 HE2 TYR A 61 -7.811 9.058 -8.936 1.00 14.24 H new ATOM 0 HH TYR A 61 -4.480 7.967 -8.890 1.00 43.34 H new ATOM 992 N SER A 62 -9.473 1.985 -7.130 1.00 3.10 N ATOM 993 CA SER A 62 -8.673 0.800 -6.892 1.00 44.31 C ATOM 994 C SER A 62 -7.710 0.567 -8.047 1.00 44.11 C ATOM 995 O SER A 62 -8.016 0.869 -9.202 1.00 55.05 O ATOM 996 CB SER A 62 -9.567 -0.425 -6.696 1.00 61.43 C ATOM 997 OG SER A 62 -8.801 -1.593 -6.452 1.00 1.32 O ATOM 0 H SER A 62 -10.316 1.821 -7.681 1.00 3.10 H new ATOM 0 HA SER A 62 -8.096 0.957 -5.981 1.00 44.31 H new ATOM 0 HB2 SER A 62 -10.245 -0.252 -5.860 1.00 61.43 H new ATOM 0 HB3 SER A 62 -10.184 -0.572 -7.582 1.00 61.43 H new ATOM 0 HG SER A 62 -7.992 -1.355 -5.953 1.00 1.32 H new ATOM 1003 N LEU A 63 -6.551 0.031 -7.715 1.00 1.14 N ATOM 1004 CA LEU A 63 -5.515 -0.275 -8.689 1.00 11.41 C ATOM 1005 C LEU A 63 -4.785 -1.545 -8.275 1.00 3.31 C ATOM 1006 O LEU A 63 -4.840 -1.950 -7.112 1.00 25.11 O ATOM 1007 CB LEU A 63 -4.510 0.879 -8.801 1.00 34.43 C ATOM 1008 CG LEU A 63 -5.042 2.176 -9.424 1.00 43.21 C ATOM 1009 CD1 LEU A 63 -3.994 3.276 -9.340 1.00 32.42 C ATOM 1010 CD2 LEU A 63 -5.447 1.945 -10.873 1.00 61.32 C ATOM 0 H LEU A 63 -6.298 -0.207 -6.756 1.00 1.14 H new ATOM 0 HA LEU A 63 -5.987 -0.418 -9.661 1.00 11.41 H new ATOM 0 HB2 LEU A 63 -4.135 1.106 -7.803 1.00 34.43 H new ATOM 0 HB3 LEU A 63 -3.660 0.538 -9.391 1.00 34.43 H new ATOM 0 HG LEU A 63 -5.922 2.490 -8.863 1.00 43.21 H new ATOM 0 HD11 LEU A 63 -4.388 4.189 -9.787 1.00 32.42 H new ATOM 0 HD12 LEU A 63 -3.744 3.462 -8.295 1.00 32.42 H new ATOM 0 HD13 LEU A 63 -3.098 2.967 -9.878 1.00 32.42 H new ATOM 0 HD21 LEU A 63 -5.822 2.876 -11.299 1.00 61.32 H new ATOM 0 HD22 LEU A 63 -4.582 1.608 -11.443 1.00 61.32 H new ATOM 0 HD23 LEU A 63 -6.228 1.186 -10.916 1.00 61.32 H new ATOM 1022 N SER A 64 -4.111 -2.176 -9.220 1.00 13.10 N ATOM 1023 CA SER A 64 -3.327 -3.359 -8.920 1.00 11.54 C ATOM 1024 C SER A 64 -1.866 -3.101 -9.247 1.00 31.41 C ATOM 1025 O SER A 64 -1.537 -2.650 -10.345 1.00 13.12 O ATOM 1026 CB SER A 64 -3.852 -4.566 -9.702 1.00 1.52 C ATOM 1027 OG SER A 64 -3.135 -5.748 -9.378 1.00 54.44 O ATOM 0 H SER A 64 -4.091 -1.889 -10.199 1.00 13.10 H new ATOM 0 HA SER A 64 -3.416 -3.583 -7.857 1.00 11.54 H new ATOM 0 HB2 SER A 64 -4.910 -4.710 -9.484 1.00 1.52 H new ATOM 0 HB3 SER A 64 -3.771 -4.371 -10.771 1.00 1.52 H new ATOM 0 HG SER A 64 -2.822 -5.697 -8.451 1.00 54.44 H new ATOM 1033 N LEU A 65 -0.997 -3.366 -8.288 1.00 3.04 N ATOM 1034 CA LEU A 65 0.425 -3.125 -8.467 1.00 54.35 C ATOM 1035 C LEU A 65 1.239 -4.379 -8.175 1.00 44.34 C ATOM 1036 O LEU A 65 0.725 -5.351 -7.616 1.00 64.21 O ATOM 1037 CB LEU A 65 0.891 -1.946 -7.598 1.00 61.44 C ATOM 1038 CG LEU A 65 0.393 -1.913 -6.145 1.00 13.31 C ATOM 1039 CD1 LEU A 65 1.075 -2.971 -5.293 1.00 72.02 C ATOM 1040 CD2 LEU A 65 0.622 -0.534 -5.550 1.00 42.31 C ATOM 0 H LEU A 65 -1.250 -3.748 -7.377 1.00 3.04 H new ATOM 0 HA LEU A 65 0.592 -2.862 -9.511 1.00 54.35 H new ATOM 0 HB2 LEU A 65 1.981 -1.946 -7.583 1.00 61.44 H new ATOM 0 HB3 LEU A 65 0.579 -1.022 -8.085 1.00 61.44 H new ATOM 0 HG LEU A 65 -0.675 -2.133 -6.152 1.00 13.31 H new ATOM 0 HD11 LEU A 65 0.696 -2.916 -4.272 1.00 72.02 H new ATOM 0 HD12 LEU A 65 0.867 -3.959 -5.704 1.00 72.02 H new ATOM 0 HD13 LEU A 65 2.151 -2.798 -5.291 1.00 72.02 H new ATOM 0 HD21 LEU A 65 0.266 -0.519 -4.520 1.00 42.31 H new ATOM 0 HD22 LEU A 65 1.687 -0.301 -5.570 1.00 42.31 H new ATOM 0 HD23 LEU A 65 0.077 0.209 -6.133 1.00 42.31 H new ATOM 1052 N ARG A 66 2.505 -4.343 -8.566 1.00 31.43 N ATOM 1053 CA ARG A 66 3.407 -5.458 -8.382 1.00 21.12 C ATOM 1054 C ARG A 66 3.932 -5.511 -6.955 1.00 24.14 C ATOM 1055 O ARG A 66 3.859 -4.529 -6.211 1.00 2.33 O ATOM 1056 CB ARG A 66 4.580 -5.315 -9.349 1.00 73.01 C ATOM 1057 CG ARG A 66 4.679 -6.424 -10.371 1.00 0.12 C ATOM 1058 CD ARG A 66 3.405 -6.558 -11.183 1.00 62.53 C ATOM 1059 NE ARG A 66 2.746 -7.838 -10.942 1.00 52.14 N ATOM 1060 CZ ARG A 66 1.684 -8.272 -11.617 1.00 11.01 C ATOM 1061 NH1 ARG A 66 1.113 -7.506 -12.540 1.00 24.03 N ATOM 1062 NH2 ARG A 66 1.183 -9.468 -11.358 1.00 24.10 N ATOM 0 H ARG A 66 2.931 -3.535 -9.020 1.00 31.43 H new ATOM 0 HA ARG A 66 2.862 -6.381 -8.579 1.00 21.12 H new ATOM 0 HB2 ARG A 66 4.492 -4.362 -9.871 1.00 73.01 H new ATOM 0 HB3 ARG A 66 5.507 -5.280 -8.776 1.00 73.01 H new ATOM 0 HG2 ARG A 66 5.517 -6.228 -11.040 1.00 0.12 H new ATOM 0 HG3 ARG A 66 4.888 -7.367 -9.865 1.00 0.12 H new ATOM 0 HD2 ARG A 66 2.725 -5.745 -10.930 1.00 62.53 H new ATOM 0 HD3 ARG A 66 3.637 -6.462 -12.244 1.00 62.53 H new ATOM 0 HE ARG A 66 3.124 -8.439 -10.209 1.00 52.14 H new ATOM 0 HH11 ARG A 66 1.488 -6.578 -12.736 1.00 24.03 H new ATOM 0 HH12 ARG A 66 0.299 -7.846 -13.053 1.00 24.03 H new ATOM 0 HH21 ARG A 66 1.610 -10.056 -10.642 1.00 24.10 H new ATOM 0 HH22 ARG A 66 0.369 -9.803 -11.874 1.00 24.10 H new ATOM 1076 N LYS A 67 4.473 -6.664 -6.591 1.00 44.02 N ATOM 1077 CA LYS A 67 5.136 -6.841 -5.306 1.00 32.11 C ATOM 1078 C LYS A 67 6.329 -5.886 -5.196 1.00 50.44 C ATOM 1079 O LYS A 67 6.772 -5.545 -4.098 1.00 11.14 O ATOM 1080 CB LYS A 67 5.587 -8.298 -5.167 1.00 14.33 C ATOM 1081 CG LYS A 67 6.202 -8.640 -3.822 1.00 13.24 C ATOM 1082 CD LYS A 67 6.612 -10.100 -3.773 1.00 62.12 C ATOM 1083 CE LYS A 67 7.288 -10.457 -2.462 1.00 22.10 C ATOM 1084 NZ LYS A 67 7.730 -11.875 -2.453 1.00 13.15 N ATOM 0 H LYS A 67 4.466 -7.501 -7.175 1.00 44.02 H new ATOM 0 HA LYS A 67 4.442 -6.609 -4.498 1.00 32.11 H new ATOM 0 HB2 LYS A 67 4.729 -8.949 -5.336 1.00 14.33 H new ATOM 0 HB3 LYS A 67 6.312 -8.517 -5.950 1.00 14.33 H new ATOM 0 HG2 LYS A 67 7.071 -8.007 -3.643 1.00 13.24 H new ATOM 0 HG3 LYS A 67 5.487 -8.431 -3.026 1.00 13.24 H new ATOM 0 HD2 LYS A 67 5.732 -10.728 -3.910 1.00 62.12 H new ATOM 0 HD3 LYS A 67 7.289 -10.314 -4.600 1.00 62.12 H new ATOM 0 HE2 LYS A 67 8.147 -9.805 -2.304 1.00 22.10 H new ATOM 0 HE3 LYS A 67 6.599 -10.283 -1.636 1.00 22.10 H new ATOM 0 HZ1 LYS A 67 8.188 -12.090 -1.545 1.00 13.15 H new ATOM 0 HZ2 LYS A 67 6.906 -12.496 -2.581 1.00 13.15 H new ATOM 0 HZ3 LYS A 67 8.406 -12.033 -3.228 1.00 13.15 H new ATOM 1098 N SER A 68 6.829 -5.448 -6.349 1.00 73.12 N ATOM 1099 CA SER A 68 7.915 -4.481 -6.404 1.00 45.03 C ATOM 1100 C SER A 68 7.470 -3.126 -5.854 1.00 62.41 C ATOM 1101 O SER A 68 8.135 -2.556 -4.989 1.00 14.14 O ATOM 1102 CB SER A 68 8.417 -4.339 -7.839 1.00 75.21 C ATOM 1103 OG SER A 68 8.860 -5.589 -8.344 1.00 35.41 O ATOM 0 H SER A 68 6.494 -5.752 -7.263 1.00 73.12 H new ATOM 0 HA SER A 68 8.731 -4.844 -5.779 1.00 45.03 H new ATOM 0 HB2 SER A 68 7.619 -3.948 -8.471 1.00 75.21 H new ATOM 0 HB3 SER A 68 9.233 -3.618 -7.874 1.00 75.21 H new ATOM 0 HG SER A 68 9.176 -5.476 -9.265 1.00 35.41 H new ATOM 1109 N GLU A 69 6.341 -2.613 -6.349 1.00 12.03 N ATOM 1110 CA GLU A 69 5.775 -1.373 -5.825 1.00 52.34 C ATOM 1111 C GLU A 69 5.492 -1.508 -4.334 1.00 11.51 C ATOM 1112 O GLU A 69 5.755 -0.597 -3.554 1.00 52.22 O ATOM 1113 CB GLU A 69 4.484 -0.989 -6.558 1.00 22.52 C ATOM 1114 CG GLU A 69 4.681 -0.601 -8.014 1.00 52.33 C ATOM 1115 CD GLU A 69 4.688 -1.791 -8.949 1.00 64.45 C ATOM 1116 OE1 GLU A 69 5.745 -2.427 -9.111 1.00 63.52 O ATOM 1117 OE2 GLU A 69 3.628 -2.090 -9.538 1.00 71.44 O ATOM 0 H GLU A 69 5.805 -3.036 -7.107 1.00 12.03 H new ATOM 0 HA GLU A 69 6.510 -0.584 -5.988 1.00 52.34 H new ATOM 0 HB2 GLU A 69 3.789 -1.828 -6.509 1.00 22.52 H new ATOM 0 HB3 GLU A 69 4.016 -0.156 -6.033 1.00 22.52 H new ATOM 0 HG2 GLU A 69 3.887 0.083 -8.312 1.00 52.33 H new ATOM 0 HG3 GLU A 69 5.622 -0.061 -8.116 1.00 52.33 H new ATOM 1124 N ALA A 70 4.979 -2.669 -3.945 1.00 23.24 N ATOM 1125 CA ALA A 70 4.682 -2.959 -2.548 1.00 61.21 C ATOM 1126 C ALA A 70 5.948 -2.926 -1.686 1.00 20.21 C ATOM 1127 O ALA A 70 5.881 -2.773 -0.466 1.00 43.11 O ATOM 1128 CB ALA A 70 3.993 -4.309 -2.429 1.00 15.14 C ATOM 0 H ALA A 70 4.758 -3.432 -4.585 1.00 23.24 H new ATOM 0 HA ALA A 70 4.011 -2.183 -2.179 1.00 61.21 H new ATOM 0 HB1 ALA A 70 3.776 -4.515 -1.381 1.00 15.14 H new ATOM 0 HB2 ALA A 70 3.062 -4.294 -2.996 1.00 15.14 H new ATOM 0 HB3 ALA A 70 4.646 -5.087 -2.824 1.00 15.14 H new ATOM 1134 N LYS A 71 7.095 -3.095 -2.323 1.00 31.25 N ATOM 1135 CA LYS A 71 8.374 -3.076 -1.628 1.00 3.31 C ATOM 1136 C LYS A 71 8.860 -1.638 -1.432 1.00 23.11 C ATOM 1137 O LYS A 71 9.510 -1.324 -0.436 1.00 32.32 O ATOM 1138 CB LYS A 71 9.398 -3.909 -2.423 1.00 42.30 C ATOM 1139 CG LYS A 71 10.741 -4.121 -1.728 1.00 0.25 C ATOM 1140 CD LYS A 71 11.700 -2.960 -1.955 1.00 65.30 C ATOM 1141 CE LYS A 71 12.052 -2.800 -3.425 1.00 14.24 C ATOM 1142 NZ LYS A 71 12.941 -1.632 -3.658 1.00 13.33 N ATOM 0 H LYS A 71 7.167 -3.248 -3.329 1.00 31.25 H new ATOM 0 HA LYS A 71 8.256 -3.517 -0.638 1.00 3.31 H new ATOM 0 HB2 LYS A 71 8.961 -4.884 -2.639 1.00 42.30 H new ATOM 0 HB3 LYS A 71 9.576 -3.420 -3.381 1.00 42.30 H new ATOM 0 HG2 LYS A 71 10.577 -4.250 -0.658 1.00 0.25 H new ATOM 0 HG3 LYS A 71 11.196 -5.042 -2.094 1.00 0.25 H new ATOM 0 HD2 LYS A 71 11.249 -2.038 -1.586 1.00 65.30 H new ATOM 0 HD3 LYS A 71 12.611 -3.122 -1.378 1.00 65.30 H new ATOM 0 HE2 LYS A 71 12.542 -3.706 -3.782 1.00 14.24 H new ATOM 0 HE3 LYS A 71 11.138 -2.682 -4.007 1.00 14.24 H new ATOM 0 HZ1 LYS A 71 13.021 -1.455 -4.680 1.00 13.33 H new ATOM 0 HZ2 LYS A 71 12.541 -0.793 -3.192 1.00 13.33 H new ATOM 0 HZ3 LYS A 71 13.884 -1.830 -3.266 1.00 13.33 H new ATOM 1156 N ASP A 72 8.530 -0.763 -2.376 1.00 23.01 N ATOM 1157 CA ASP A 72 9.016 0.612 -2.348 1.00 31.02 C ATOM 1158 C ASP A 72 8.001 1.572 -1.735 1.00 42.02 C ATOM 1159 O ASP A 72 8.176 2.791 -1.786 1.00 73.03 O ATOM 1160 CB ASP A 72 9.393 1.068 -3.754 1.00 40.23 C ATOM 1161 CG ASP A 72 10.727 0.504 -4.194 1.00 71.12 C ATOM 1162 OD1 ASP A 72 11.736 0.744 -3.496 1.00 0.44 O ATOM 1163 OD2 ASP A 72 10.783 -0.178 -5.234 1.00 31.53 O ATOM 0 H ASP A 72 7.928 -0.981 -3.170 1.00 23.01 H new ATOM 0 HA ASP A 72 9.901 0.629 -1.713 1.00 31.02 H new ATOM 0 HB2 ASP A 72 8.619 0.757 -4.456 1.00 40.23 H new ATOM 0 HB3 ASP A 72 9.432 2.157 -3.784 1.00 40.23 H new ATOM 1168 N ILE A 73 6.945 1.026 -1.156 1.00 23.12 N ATOM 1169 CA ILE A 73 5.969 1.833 -0.444 1.00 72.33 C ATOM 1170 C ILE A 73 6.005 1.511 1.045 1.00 1.41 C ATOM 1171 O ILE A 73 5.809 0.362 1.442 1.00 24.34 O ATOM 1172 CB ILE A 73 4.536 1.617 -0.982 1.00 14.33 C ATOM 1173 CG1 ILE A 73 4.453 2.009 -2.457 1.00 62.22 C ATOM 1174 CG2 ILE A 73 3.531 2.420 -0.166 1.00 12.31 C ATOM 1175 CD1 ILE A 73 3.104 1.731 -3.087 1.00 64.41 C ATOM 0 H ILE A 73 6.742 0.027 -1.165 1.00 23.12 H new ATOM 0 HA ILE A 73 6.236 2.878 -0.604 1.00 72.33 H new ATOM 0 HB ILE A 73 4.292 0.559 -0.889 1.00 14.33 H new ATOM 0 HG12 ILE A 73 4.677 3.071 -2.554 1.00 62.22 H new ATOM 0 HG13 ILE A 73 5.221 1.469 -3.011 1.00 62.22 H new ATOM 0 HG21 ILE A 73 2.528 2.255 -0.560 1.00 12.31 H new ATOM 0 HG22 ILE A 73 3.569 2.100 0.875 1.00 12.31 H new ATOM 0 HG23 ILE A 73 3.776 3.480 -0.229 1.00 12.31 H new ATOM 0 HD11 ILE A 73 3.122 2.035 -4.134 1.00 64.41 H new ATOM 0 HD12 ILE A 73 2.885 0.665 -3.022 1.00 64.41 H new ATOM 0 HD13 ILE A 73 2.333 2.292 -2.559 1.00 64.41 H new ATOM 1187 N LEU A 74 6.280 2.522 1.857 1.00 64.10 N ATOM 1188 CA LEU A 74 6.311 2.357 3.299 1.00 70.41 C ATOM 1189 C LEU A 74 5.068 2.983 3.921 1.00 1.34 C ATOM 1190 O LEU A 74 4.808 4.179 3.756 1.00 52.11 O ATOM 1191 CB LEU A 74 7.574 2.994 3.880 1.00 22.30 C ATOM 1192 CG LEU A 74 8.890 2.367 3.415 1.00 5.10 C ATOM 1193 CD1 LEU A 74 10.076 3.099 4.023 1.00 14.43 C ATOM 1194 CD2 LEU A 74 8.938 0.890 3.778 1.00 24.32 C ATOM 0 H LEU A 74 6.485 3.469 1.537 1.00 64.10 H new ATOM 0 HA LEU A 74 6.323 1.292 3.531 1.00 70.41 H new ATOM 0 HB2 LEU A 74 7.582 4.052 3.619 1.00 22.30 H new ATOM 0 HB3 LEU A 74 7.525 2.934 4.967 1.00 22.30 H new ATOM 0 HG LEU A 74 8.946 2.458 2.330 1.00 5.10 H new ATOM 0 HD11 LEU A 74 11.003 2.638 3.680 1.00 14.43 H new ATOM 0 HD12 LEU A 74 10.055 4.144 3.715 1.00 14.43 H new ATOM 0 HD13 LEU A 74 10.022 3.040 5.110 1.00 14.43 H new ATOM 0 HD21 LEU A 74 9.882 0.462 3.439 1.00 24.32 H new ATOM 0 HD22 LEU A 74 8.857 0.778 4.859 1.00 24.32 H new ATOM 0 HD23 LEU A 74 8.110 0.370 3.296 1.00 24.32 H new ATOM 1206 N VAL A 75 4.302 2.171 4.629 1.00 54.11 N ATOM 1207 CA VAL A 75 3.024 2.606 5.175 1.00 13.22 C ATOM 1208 C VAL A 75 2.877 2.216 6.639 1.00 31.30 C ATOM 1209 O VAL A 75 3.732 1.535 7.206 1.00 65.42 O ATOM 1210 CB VAL A 75 1.839 2.009 4.379 1.00 63.23 C ATOM 1211 CG1 VAL A 75 1.794 2.567 2.965 1.00 54.34 C ATOM 1212 CG2 VAL A 75 1.921 0.489 4.348 1.00 73.13 C ATOM 0 H VAL A 75 4.542 1.203 4.841 1.00 54.11 H new ATOM 0 HA VAL A 75 3.006 3.693 5.091 1.00 13.22 H new ATOM 0 HB VAL A 75 0.918 2.295 4.887 1.00 63.23 H new ATOM 0 HG11 VAL A 75 0.952 2.130 2.428 1.00 54.34 H new ATOM 0 HG12 VAL A 75 1.677 3.650 3.005 1.00 54.34 H new ATOM 0 HG13 VAL A 75 2.721 2.321 2.447 1.00 54.34 H new ATOM 0 HG21 VAL A 75 1.078 0.091 3.783 1.00 73.13 H new ATOM 0 HG22 VAL A 75 2.853 0.185 3.872 1.00 73.13 H new ATOM 0 HG23 VAL A 75 1.891 0.102 5.367 1.00 73.13 H new ATOM 1222 N GLU A 76 1.788 2.674 7.240 1.00 30.30 N ATOM 1223 CA GLU A 76 1.436 2.314 8.604 1.00 52.41 C ATOM 1224 C GLU A 76 -0.078 2.169 8.701 1.00 11.10 C ATOM 1225 O GLU A 76 -0.817 2.879 8.017 1.00 4.33 O ATOM 1226 CB GLU A 76 1.949 3.371 9.592 1.00 32.22 C ATOM 1227 CG GLU A 76 1.617 3.068 11.045 1.00 3.40 C ATOM 1228 CD GLU A 76 2.394 3.932 12.017 1.00 11.23 C ATOM 1229 OE1 GLU A 76 2.028 5.107 12.213 1.00 24.41 O ATOM 1230 OE2 GLU A 76 3.373 3.421 12.605 1.00 31.25 O ATOM 0 H GLU A 76 1.124 3.306 6.794 1.00 30.30 H new ATOM 0 HA GLU A 76 1.906 1.366 8.864 1.00 52.41 H new ATOM 0 HB2 GLU A 76 3.030 3.458 9.487 1.00 32.22 H new ATOM 0 HB3 GLU A 76 1.524 4.339 9.327 1.00 32.22 H new ATOM 0 HG2 GLU A 76 0.549 3.216 11.208 1.00 3.40 H new ATOM 0 HG3 GLU A 76 1.828 2.018 11.250 1.00 3.40 H new ATOM 1237 N VAL A 77 -0.540 1.234 9.520 1.00 24.00 N ATOM 1238 CA VAL A 77 -1.964 0.971 9.637 1.00 5.42 C ATOM 1239 C VAL A 77 -2.664 2.110 10.381 1.00 35.30 C ATOM 1240 O VAL A 77 -2.125 2.669 11.336 1.00 71.34 O ATOM 1241 CB VAL A 77 -2.232 -0.386 10.337 1.00 62.21 C ATOM 1242 CG1 VAL A 77 -1.797 -0.357 11.797 1.00 44.50 C ATOM 1243 CG2 VAL A 77 -3.695 -0.782 10.209 1.00 0.02 C ATOM 0 H VAL A 77 0.050 0.648 10.111 1.00 24.00 H new ATOM 0 HA VAL A 77 -2.375 0.912 8.629 1.00 5.42 H new ATOM 0 HB VAL A 77 -1.631 -1.143 9.833 1.00 62.21 H new ATOM 0 HG11 VAL A 77 -2.000 -1.324 12.256 1.00 44.50 H new ATOM 0 HG12 VAL A 77 -0.729 -0.145 11.854 1.00 44.50 H new ATOM 0 HG13 VAL A 77 -2.350 0.419 12.326 1.00 44.50 H new ATOM 0 HG21 VAL A 77 -3.858 -1.737 10.708 1.00 0.02 H new ATOM 0 HG22 VAL A 77 -4.320 -0.019 10.673 1.00 0.02 H new ATOM 0 HG23 VAL A 77 -3.956 -0.874 9.155 1.00 0.02 H new ATOM 1253 N LEU A 78 -3.860 2.458 9.924 1.00 30.13 N ATOM 1254 CA LEU A 78 -4.617 3.556 10.517 1.00 60.13 C ATOM 1255 C LEU A 78 -5.435 3.089 11.711 1.00 13.12 C ATOM 1256 O LEU A 78 -6.149 3.875 12.336 1.00 1.04 O ATOM 1257 CB LEU A 78 -5.531 4.183 9.469 1.00 51.31 C ATOM 1258 CG LEU A 78 -4.815 5.026 8.413 1.00 32.14 C ATOM 1259 CD1 LEU A 78 -5.795 5.520 7.364 1.00 73.24 C ATOM 1260 CD2 LEU A 78 -4.095 6.196 9.064 1.00 12.31 C ATOM 0 H LEU A 78 -4.328 1.996 9.144 1.00 30.13 H new ATOM 0 HA LEU A 78 -3.906 4.302 10.872 1.00 60.13 H new ATOM 0 HB2 LEU A 78 -6.082 3.388 8.966 1.00 51.31 H new ATOM 0 HB3 LEU A 78 -6.265 4.809 9.976 1.00 51.31 H new ATOM 0 HG LEU A 78 -4.075 4.397 7.918 1.00 32.14 H new ATOM 0 HD11 LEU A 78 -5.264 6.117 6.623 1.00 73.24 H new ATOM 0 HD12 LEU A 78 -6.264 4.667 6.874 1.00 73.24 H new ATOM 0 HD13 LEU A 78 -6.561 6.131 7.841 1.00 73.24 H new ATOM 0 HD21 LEU A 78 -3.591 6.785 8.298 1.00 12.31 H new ATOM 0 HD22 LEU A 78 -4.818 6.823 9.587 1.00 12.31 H new ATOM 0 HD23 LEU A 78 -3.359 5.820 9.775 1.00 12.31 H new