USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 755 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 95 SER OG : rot 130:sc= -0.0933 USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 65 ASN : amide:sc= -0.128 X(o=-2.8,f=-2.5) USER MOD Set 2.2: A 88 MET CE :methyl -122:sc= -2.66! (180deg=-5.57!) USER MOD Set 3.1: A 41 GLN : amide:sc= -0.0107 K(o=-1.2,f=-2.1) USER MOD Set 3.2: A 42 THR OG1 : rot -103:sc= -1.21 USER MOD Set 4.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -169:sc= -1.37 (180deg=-1.74!) USER MOD Single : A 29 MET CE :methyl -177:sc= 0 (180deg=-0.0213) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot -36:sc= 1.23 USER MOD Single : A 32 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.5) USER MOD Single : A 39 TYR OH : rot -8:sc= -0.427 USER MOD Single : A 47 SER OG : rot -86:sc= 1.17 USER MOD Single : A 56 SER OG : rot 49:sc= 0.986 USER MOD Single : A 67 SER OG : rot 160:sc= 0 USER MOD Single : A 68 SER OG : rot 30:sc= 0.377 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -3.91! C(o=-3.9!,f=-12!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 9.029 4.501 -14.016 1.00 0.00 N ATOM 60 CA GLY A 7 8.850 3.413 -13.069 1.00 0.00 C ATOM 61 C GLY A 7 7.719 2.483 -13.510 1.00 0.00 C ATOM 62 O GLY A 7 7.074 2.724 -14.530 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.777 2.847 -12.980 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.628 3.818 -12.082 1.00 0.00 H new ATOM 66 N TYR A 8 7.512 1.439 -12.721 1.00 0.00 N ATOM 67 CA TYR A 8 6.470 0.471 -13.017 1.00 0.00 C ATOM 68 C TYR A 8 5.543 0.278 -11.815 1.00 0.00 C ATOM 69 O TYR A 8 5.838 0.748 -10.718 1.00 0.00 O ATOM 70 CB TYR A 8 7.189 -0.847 -13.309 1.00 0.00 C ATOM 71 CG TYR A 8 8.194 -1.260 -12.231 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.766 -1.954 -11.119 1.00 0.00 C ATOM 73 CD2 TYR A 8 9.528 -0.937 -12.372 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.711 -2.343 -10.104 1.00 0.00 C ATOM 75 CE2 TYR A 8 10.474 -1.325 -11.358 1.00 0.00 C ATOM 76 CZ TYR A 8 10.019 -2.009 -10.274 1.00 0.00 C ATOM 77 OH TYR A 8 10.912 -2.375 -9.316 1.00 0.00 O ATOM 0 H TYR A 8 8.049 1.242 -11.876 1.00 0.00 H new ATOM 0 HA TYR A 8 5.860 0.808 -13.855 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.446 -1.637 -13.421 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.710 -0.762 -14.263 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.722 -2.206 -11.009 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.863 -0.393 -13.243 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.389 -2.887 -9.228 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.521 -1.078 -11.456 1.00 0.00 H new ATOM 0 HH TYR A 8 11.808 -2.071 -9.571 1.00 0.00 H new ATOM 87 N VAL A 9 4.442 -0.415 -12.063 1.00 0.00 N ATOM 88 CA VAL A 9 3.470 -0.677 -11.015 1.00 0.00 C ATOM 89 C VAL A 9 3.346 -2.187 -10.806 1.00 0.00 C ATOM 90 O VAL A 9 3.776 -2.972 -11.650 1.00 0.00 O ATOM 91 CB VAL A 9 2.137 -0.010 -11.359 1.00 0.00 C ATOM 92 CG1 VAL A 9 2.021 0.240 -12.864 1.00 0.00 C ATOM 93 CG2 VAL A 9 0.959 -0.842 -10.848 1.00 0.00 C ATOM 0 H VAL A 9 4.201 -0.803 -12.975 1.00 0.00 H new ATOM 0 HA VAL A 9 3.801 -0.244 -10.071 1.00 0.00 H new ATOM 0 HB VAL A 9 2.107 0.957 -10.856 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.064 0.715 -13.081 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.832 0.892 -13.188 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.084 -0.709 -13.396 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.024 -0.345 -11.106 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.984 -1.830 -11.308 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.029 -0.945 -9.765 1.00 0.00 H new ATOM 103 N PHE A 10 2.757 -2.550 -9.676 1.00 0.00 N ATOM 104 CA PHE A 10 2.571 -3.952 -9.345 1.00 0.00 C ATOM 105 C PHE A 10 1.282 -4.161 -8.547 1.00 0.00 C ATOM 106 O PHE A 10 0.841 -3.266 -7.828 1.00 0.00 O ATOM 107 CB PHE A 10 3.764 -4.370 -8.483 1.00 0.00 C ATOM 108 CG PHE A 10 3.828 -3.666 -7.126 1.00 0.00 C ATOM 109 CD1 PHE A 10 3.194 -4.205 -6.050 1.00 0.00 C ATOM 110 CD2 PHE A 10 4.518 -2.502 -6.995 1.00 0.00 C ATOM 111 CE1 PHE A 10 3.253 -3.552 -4.790 1.00 0.00 C ATOM 112 CE2 PHE A 10 4.578 -1.849 -5.736 1.00 0.00 C ATOM 113 CZ PHE A 10 3.944 -2.388 -4.660 1.00 0.00 C ATOM 0 H PHE A 10 2.402 -1.897 -8.978 1.00 0.00 H new ATOM 0 HA PHE A 10 2.501 -4.544 -10.258 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.722 -5.447 -8.320 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.684 -4.166 -9.031 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.646 -5.130 -6.154 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.021 -2.074 -7.849 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.749 -3.980 -3.936 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.127 -0.925 -5.633 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.989 -1.891 -3.702 1.00 0.00 H new ATOM 123 N THR A 11 0.715 -5.348 -8.702 1.00 0.00 N ATOM 124 CA THR A 11 -0.515 -5.686 -8.005 1.00 0.00 C ATOM 125 C THR A 11 -0.202 -6.331 -6.653 1.00 0.00 C ATOM 126 O THR A 11 0.880 -6.884 -6.461 1.00 0.00 O ATOM 127 CB THR A 11 -1.350 -6.579 -8.925 1.00 0.00 C ATOM 128 OG1 THR A 11 -1.643 -5.747 -10.044 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.723 -6.907 -8.335 1.00 0.00 C ATOM 0 H THR A 11 1.084 -6.088 -9.300 1.00 0.00 H new ATOM 0 HA THR A 11 -1.098 -4.794 -7.777 1.00 0.00 H new ATOM 0 HB THR A 11 -0.809 -7.505 -9.121 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.181 -6.248 -10.692 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.274 -7.543 -9.028 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.596 -7.429 -7.386 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.278 -5.984 -8.170 1.00 0.00 H new ATOM 137 N VAL A 12 -1.168 -6.239 -5.752 1.00 0.00 N ATOM 138 CA VAL A 12 -1.009 -6.806 -4.424 1.00 0.00 C ATOM 139 C VAL A 12 -2.331 -7.440 -3.983 1.00 0.00 C ATOM 140 O VAL A 12 -3.328 -6.743 -3.805 1.00 0.00 O ATOM 141 CB VAL A 12 -0.507 -5.735 -3.453 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.399 -6.347 -2.383 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.211 -4.611 -4.202 1.00 0.00 C ATOM 0 H VAL A 12 -2.064 -5.780 -5.915 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.257 -7.595 -4.434 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.373 -5.304 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.742 -5.565 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.158 -7.096 -1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.259 -6.817 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.558 -3.863 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.064 -5.021 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.477 -4.147 -4.909 1.00 0.00 H new ATOM 153 N GLU A 13 -2.294 -8.754 -3.819 1.00 0.00 N ATOM 154 CA GLU A 13 -3.476 -9.489 -3.403 1.00 0.00 C ATOM 155 C GLU A 13 -3.321 -9.970 -1.958 1.00 0.00 C ATOM 156 O GLU A 13 -2.614 -10.942 -1.697 1.00 0.00 O ATOM 157 CB GLU A 13 -3.752 -10.663 -4.344 1.00 0.00 C ATOM 158 CG GLU A 13 -4.444 -10.188 -5.624 1.00 0.00 C ATOM 159 CD GLU A 13 -5.253 -11.319 -6.262 1.00 0.00 C ATOM 160 OE1 GLU A 13 -4.673 -12.415 -6.415 1.00 0.00 O ATOM 161 OE2 GLU A 13 -6.434 -11.061 -6.583 1.00 0.00 O ATOM 0 H GLU A 13 -1.464 -9.329 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.333 -8.817 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.815 -11.160 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.378 -11.399 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.102 -9.349 -5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.698 -9.825 -6.332 1.00 0.00 H new ATOM 168 N LEU A 14 -3.993 -9.267 -1.059 1.00 0.00 N ATOM 169 CA LEU A 14 -3.938 -9.610 0.352 1.00 0.00 C ATOM 170 C LEU A 14 -5.270 -10.235 0.773 1.00 0.00 C ATOM 171 O LEU A 14 -6.292 -10.023 0.122 1.00 0.00 O ATOM 172 CB LEU A 14 -3.542 -8.389 1.185 1.00 0.00 C ATOM 173 CG LEU A 14 -2.103 -7.898 1.013 1.00 0.00 C ATOM 174 CD1 LEU A 14 -1.111 -9.059 1.115 1.00 0.00 C ATOM 175 CD2 LEU A 14 -1.942 -7.121 -0.296 1.00 0.00 C ATOM 0 H LEU A 14 -4.578 -8.461 -1.280 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.164 -10.356 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.217 -7.570 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.701 -8.625 2.237 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.878 -7.209 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.096 -8.682 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.204 -9.532 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.326 -9.791 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.910 -6.783 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.193 -7.768 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.608 -6.258 -0.291 1.00 0.00 H new ATOM 187 N GLU A 15 -5.215 -10.992 1.858 1.00 0.00 N ATOM 188 CA GLU A 15 -6.404 -11.650 2.373 1.00 0.00 C ATOM 189 C GLU A 15 -6.832 -11.013 3.697 1.00 0.00 C ATOM 190 O GLU A 15 -6.171 -11.192 4.719 1.00 0.00 O ATOM 191 CB GLU A 15 -6.172 -13.153 2.538 1.00 0.00 C ATOM 192 CG GLU A 15 -7.253 -13.782 3.419 1.00 0.00 C ATOM 193 CD GLU A 15 -7.266 -15.304 3.270 1.00 0.00 C ATOM 194 OE1 GLU A 15 -7.088 -15.763 2.121 1.00 0.00 O ATOM 195 OE2 GLU A 15 -7.453 -15.975 4.308 1.00 0.00 O ATOM 0 H GLU A 15 -4.365 -11.165 2.395 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.210 -11.518 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.170 -13.634 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.191 -13.327 2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.077 -13.517 4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.228 -13.378 3.148 1.00 0.00 H new ATOM 202 N ARG A 16 -7.935 -10.281 3.635 1.00 0.00 N ATOM 203 CA ARG A 16 -8.459 -9.616 4.817 1.00 0.00 C ATOM 204 C ARG A 16 -8.318 -10.522 6.042 1.00 0.00 C ATOM 205 O ARG A 16 -8.979 -11.555 6.134 1.00 0.00 O ATOM 206 CB ARG A 16 -9.931 -9.245 4.632 1.00 0.00 C ATOM 207 CG ARG A 16 -10.417 -8.346 5.771 1.00 0.00 C ATOM 208 CD ARG A 16 -11.931 -8.466 5.957 1.00 0.00 C ATOM 209 NE ARG A 16 -12.272 -8.385 7.395 1.00 0.00 N ATOM 210 CZ ARG A 16 -13.412 -8.850 7.923 1.00 0.00 C ATOM 211 NH1 ARG A 16 -14.327 -9.433 7.137 1.00 0.00 N ATOM 212 NH2 ARG A 16 -13.637 -8.733 9.239 1.00 0.00 N ATOM 0 H ARG A 16 -8.480 -10.134 2.786 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.882 -8.703 4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.064 -8.734 3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.536 -10.151 4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.911 -8.620 6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.154 -7.310 5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.437 -7.671 5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.283 -9.411 5.544 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.597 -7.948 8.023 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.156 -9.523 6.135 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.195 -9.787 7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.940 -8.290 9.838 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.505 -9.087 9.641 1.00 0.00 H new ATOM 226 N GLY A 17 -7.453 -10.101 6.953 1.00 0.00 N ATOM 227 CA GLY A 17 -7.217 -10.862 8.168 1.00 0.00 C ATOM 228 C GLY A 17 -8.238 -10.500 9.248 1.00 0.00 C ATOM 229 O GLY A 17 -9.227 -9.823 8.970 1.00 0.00 O ATOM 0 H GLY A 17 -6.907 -9.243 6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.275 -11.929 7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.209 -10.666 8.534 1.00 0.00 H new ATOM 233 N PRO A 18 -7.957 -10.980 10.489 1.00 0.00 N ATOM 234 CA PRO A 18 -8.840 -10.714 11.612 1.00 0.00 C ATOM 235 C PRO A 18 -8.690 -9.271 12.098 1.00 0.00 C ATOM 236 O PRO A 18 -9.482 -8.802 12.914 1.00 0.00 O ATOM 237 CB PRO A 18 -8.456 -11.739 12.666 1.00 0.00 C ATOM 238 CG PRO A 18 -7.071 -12.234 12.281 1.00 0.00 C ATOM 239 CD PRO A 18 -6.796 -11.785 10.855 1.00 0.00 C ATOM 0 HA PRO A 18 -9.894 -10.808 11.350 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.449 -11.293 13.660 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.172 -12.561 12.691 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.319 -11.831 12.960 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.019 -13.320 12.356 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.876 -11.204 10.793 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.679 -12.638 10.187 1.00 0.00 H new ATOM 247 N SER A 19 -7.668 -8.608 11.577 1.00 0.00 N ATOM 248 CA SER A 19 -7.404 -7.229 11.948 1.00 0.00 C ATOM 249 C SER A 19 -7.574 -6.318 10.730 1.00 0.00 C ATOM 250 O SER A 19 -7.637 -5.097 10.868 1.00 0.00 O ATOM 251 CB SER A 19 -5.999 -7.075 12.533 1.00 0.00 C ATOM 252 OG SER A 19 -5.644 -8.176 13.366 1.00 0.00 O ATOM 0 H SER A 19 -7.013 -9.001 10.901 1.00 0.00 H new ATOM 0 HA SER A 19 -8.122 -6.938 12.715 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.276 -6.986 11.722 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.946 -6.152 13.110 1.00 0.00 H new ATOM 0 HG SER A 19 -4.740 -8.041 13.719 1.00 0.00 H new ATOM 258 N GLY A 20 -7.644 -6.946 9.566 1.00 0.00 N ATOM 259 CA GLY A 20 -7.806 -6.207 8.325 1.00 0.00 C ATOM 260 C GLY A 20 -6.710 -6.573 7.323 1.00 0.00 C ATOM 261 O GLY A 20 -6.604 -7.725 6.906 1.00 0.00 O ATOM 0 H GLY A 20 -7.592 -7.959 9.456 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.784 -6.422 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.775 -5.137 8.528 1.00 0.00 H new ATOM 265 N LEU A 21 -5.922 -5.570 6.964 1.00 0.00 N ATOM 266 CA LEU A 21 -4.837 -5.771 6.018 1.00 0.00 C ATOM 267 C LEU A 21 -3.606 -4.995 6.488 1.00 0.00 C ATOM 268 O LEU A 21 -2.653 -4.818 5.731 1.00 0.00 O ATOM 269 CB LEU A 21 -5.288 -5.410 4.602 1.00 0.00 C ATOM 270 CG LEU A 21 -6.674 -5.911 4.190 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.594 -4.744 3.829 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.573 -6.934 3.057 1.00 0.00 C ATOM 0 H LEU A 21 -6.013 -4.615 7.311 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.555 -6.823 5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.272 -4.325 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.556 -5.806 3.897 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.121 -6.420 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.572 -5.128 3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.703 -4.086 4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.164 -4.185 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.572 -7.274 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.097 -6.473 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.978 -7.785 3.387 1.00 0.00 H new ATOM 284 N GLY A 22 -3.665 -4.552 7.736 1.00 0.00 N ATOM 285 CA GLY A 22 -2.566 -3.799 8.316 1.00 0.00 C ATOM 286 C GLY A 22 -1.929 -2.873 7.279 1.00 0.00 C ATOM 287 O GLY A 22 -0.767 -3.048 6.915 1.00 0.00 O ATOM 0 H GLY A 22 -4.457 -4.700 8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.928 -3.212 9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.815 -4.486 8.705 1.00 0.00 H new ATOM 291 N MET A 23 -2.717 -1.906 6.831 1.00 0.00 N ATOM 292 CA MET A 23 -2.244 -0.952 5.843 1.00 0.00 C ATOM 293 C MET A 23 -2.691 0.469 6.195 1.00 0.00 C ATOM 294 O MET A 23 -3.839 0.840 5.956 1.00 0.00 O ATOM 295 CB MET A 23 -2.789 -1.331 4.465 1.00 0.00 C ATOM 296 CG MET A 23 -1.652 -1.677 3.502 1.00 0.00 C ATOM 297 SD MET A 23 -2.286 -1.838 1.841 1.00 0.00 S ATOM 298 CE MET A 23 -3.919 -2.468 2.193 1.00 0.00 C ATOM 0 H MET A 23 -3.680 -1.763 7.135 1.00 0.00 H new ATOM 0 HA MET A 23 -1.154 -0.979 5.833 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.463 -2.182 4.558 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.373 -0.504 4.061 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.888 -0.900 3.535 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.174 -2.607 3.810 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.384 -2.810 1.268 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.845 -3.302 2.891 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.526 -1.678 2.634 1.00 0.00 H new ATOM 308 N GLY A 24 -1.760 1.225 6.758 1.00 0.00 N ATOM 309 CA GLY A 24 -2.043 2.597 7.145 1.00 0.00 C ATOM 310 C GLY A 24 -2.011 3.527 5.931 1.00 0.00 C ATOM 311 O GLY A 24 -1.069 4.299 5.760 1.00 0.00 O ATOM 0 H GLY A 24 -0.809 0.914 6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.022 2.649 7.622 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.311 2.929 7.881 1.00 0.00 H new ATOM 315 N LEU A 25 -3.053 3.423 5.119 1.00 0.00 N ATOM 316 CA LEU A 25 -3.156 4.246 3.926 1.00 0.00 C ATOM 317 C LEU A 25 -3.617 5.651 4.318 1.00 0.00 C ATOM 318 O LEU A 25 -4.591 5.806 5.052 1.00 0.00 O ATOM 319 CB LEU A 25 -4.055 3.572 2.887 1.00 0.00 C ATOM 320 CG LEU A 25 -3.854 2.067 2.702 1.00 0.00 C ATOM 321 CD1 LEU A 25 -4.614 1.559 1.475 1.00 0.00 C ATOM 322 CD2 LEU A 25 -2.366 1.715 2.640 1.00 0.00 C ATOM 0 H LEU A 25 -3.833 2.782 5.264 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.181 4.351 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.094 3.748 3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.895 4.061 1.926 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.269 1.558 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.454 0.486 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.679 1.757 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.251 2.072 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.252 0.639 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.904 2.235 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.881 2.020 3.567 1.00 0.00 H new ATOM 334 N ILE A 26 -2.894 6.639 3.812 1.00 0.00 N ATOM 335 CA ILE A 26 -3.216 8.026 4.101 1.00 0.00 C ATOM 336 C ILE A 26 -3.356 8.797 2.787 1.00 0.00 C ATOM 337 O ILE A 26 -2.755 8.427 1.779 1.00 0.00 O ATOM 338 CB ILE A 26 -2.186 8.627 5.059 1.00 0.00 C ATOM 339 CG1 ILE A 26 -2.616 10.021 5.523 1.00 0.00 C ATOM 340 CG2 ILE A 26 -0.791 8.637 4.430 1.00 0.00 C ATOM 341 CD1 ILE A 26 -2.239 10.252 6.988 1.00 0.00 C ATOM 0 H ILE A 26 -2.086 6.507 3.204 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.174 8.095 4.616 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.135 7.994 5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.142 10.778 4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.693 10.133 5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.078 9.069 5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.492 7.616 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.808 9.233 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.556 11.250 7.292 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.733 9.508 7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.159 10.163 7.104 1.00 0.00 H new ATOM 353 N ASP A 27 -4.153 9.854 2.840 1.00 0.00 N ATOM 354 CA ASP A 27 -4.380 10.680 1.666 1.00 0.00 C ATOM 355 C ASP A 27 -3.138 11.532 1.400 1.00 0.00 C ATOM 356 O ASP A 27 -2.686 12.268 2.275 1.00 0.00 O ATOM 357 CB ASP A 27 -5.565 11.625 1.878 1.00 0.00 C ATOM 358 CG ASP A 27 -5.990 12.417 0.640 1.00 0.00 C ATOM 359 OD1 ASP A 27 -5.442 12.115 -0.442 1.00 0.00 O ATOM 360 OD2 ASP A 27 -6.852 13.306 0.804 1.00 0.00 O ATOM 0 H ASP A 27 -4.650 10.158 3.678 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.591 10.020 0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.417 11.042 2.228 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.312 12.328 2.672 1.00 0.00 H new ATOM 365 N GLY A 28 -2.620 11.403 0.187 1.00 0.00 N ATOM 366 CA GLY A 28 -1.438 12.152 -0.206 1.00 0.00 C ATOM 367 C GLY A 28 -1.500 13.588 0.319 1.00 0.00 C ATOM 368 O GLY A 28 -0.465 14.212 0.553 1.00 0.00 O ATOM 0 H GLY A 28 -2.997 10.791 -0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.546 11.658 0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.354 12.161 -1.293 1.00 0.00 H new ATOM 372 N MET A 29 -2.722 14.070 0.489 1.00 0.00 N ATOM 373 CA MET A 29 -2.931 15.421 0.983 1.00 0.00 C ATOM 374 C MET A 29 -2.459 15.554 2.432 1.00 0.00 C ATOM 375 O MET A 29 -1.741 16.494 2.770 1.00 0.00 O ATOM 376 CB MET A 29 -4.418 15.771 0.896 1.00 0.00 C ATOM 377 CG MET A 29 -4.929 15.641 -0.540 1.00 0.00 C ATOM 378 SD MET A 29 -5.515 17.223 -1.125 1.00 0.00 S ATOM 379 CE MET A 29 -4.589 17.353 -2.646 1.00 0.00 C ATOM 0 H MET A 29 -3.577 13.550 0.294 1.00 0.00 H new ATOM 0 HA MET A 29 -2.350 16.107 0.367 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.989 15.112 1.550 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.577 16.789 1.252 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.131 15.278 -1.187 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.734 14.907 -0.583 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.796 18.314 -3.117 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.523 17.276 -2.431 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.882 16.548 -3.320 1.00 0.00 H new ATOM 389 N HIS A 30 -2.881 14.601 3.249 1.00 0.00 N ATOM 390 CA HIS A 30 -2.510 14.600 4.654 1.00 0.00 C ATOM 391 C HIS A 30 -0.991 14.730 4.783 1.00 0.00 C ATOM 392 O HIS A 30 -0.497 15.441 5.657 1.00 0.00 O ATOM 393 CB HIS A 30 -3.061 13.361 5.361 1.00 0.00 C ATOM 394 CG HIS A 30 -4.386 13.586 6.051 1.00 0.00 C ATOM 395 ND1 HIS A 30 -4.530 13.552 7.427 1.00 0.00 N ATOM 396 CD2 HIS A 30 -5.623 13.849 5.540 1.00 0.00 C ATOM 397 CE1 HIS A 30 -5.801 13.785 7.720 1.00 0.00 C ATOM 398 NE2 HIS A 30 -6.477 13.968 6.550 1.00 0.00 N ATOM 0 H HIS A 30 -3.477 13.823 2.965 1.00 0.00 H new ATOM 0 HA HIS A 30 -2.958 15.460 5.153 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.174 12.559 4.631 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.333 13.021 6.097 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.867 13.944 4.492 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.227 13.823 8.712 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.474 14.164 6.465 1.00 0.00 H new ATOM 406 N THR A 31 -0.292 14.031 3.901 1.00 0.00 N ATOM 407 CA THR A 31 1.161 14.059 3.905 1.00 0.00 C ATOM 408 C THR A 31 1.672 15.326 3.217 1.00 0.00 C ATOM 409 O THR A 31 0.882 16.156 2.771 1.00 0.00 O ATOM 410 CB THR A 31 1.661 12.769 3.252 1.00 0.00 C ATOM 411 OG1 THR A 31 1.446 12.979 1.859 1.00 0.00 O ATOM 412 CG2 THR A 31 0.780 11.563 3.586 1.00 0.00 C ATOM 0 H THR A 31 -0.705 13.441 3.178 1.00 0.00 H new ATOM 0 HA THR A 31 1.553 14.098 4.921 1.00 0.00 H new ATOM 0 HB THR A 31 2.683 12.572 3.575 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.618 13.487 1.729 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.179 10.674 3.098 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.767 11.409 4.665 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.235 11.745 3.234 1.00 0.00 H new ATOM 420 N HIS A 32 2.991 15.435 3.153 1.00 0.00 N ATOM 421 CA HIS A 32 3.617 16.587 2.527 1.00 0.00 C ATOM 422 C HIS A 32 3.447 16.502 1.009 1.00 0.00 C ATOM 423 O HIS A 32 3.591 17.502 0.307 1.00 0.00 O ATOM 424 CB HIS A 32 5.082 16.708 2.954 1.00 0.00 C ATOM 425 CG HIS A 32 5.331 17.770 3.997 1.00 0.00 C ATOM 426 ND1 HIS A 32 4.758 19.028 3.939 1.00 0.00 N ATOM 427 CD2 HIS A 32 6.097 17.748 5.126 1.00 0.00 C ATOM 428 CE1 HIS A 32 5.168 19.724 4.989 1.00 0.00 C ATOM 429 NE2 HIS A 32 5.998 18.929 5.723 1.00 0.00 N ATOM 0 H HIS A 32 3.643 14.744 3.524 1.00 0.00 H new ATOM 0 HA HIS A 32 3.125 17.500 2.862 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.417 15.746 3.342 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.689 16.926 2.075 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.684 16.911 5.475 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.893 20.742 5.223 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.466 19.198 6.589 1.00 0.00 H new ATOM 437 N LEU A 33 3.142 15.298 0.547 1.00 0.00 N ATOM 438 CA LEU A 33 2.951 15.069 -0.875 1.00 0.00 C ATOM 439 C LEU A 33 2.001 16.130 -1.435 1.00 0.00 C ATOM 440 O LEU A 33 2.037 16.434 -2.626 1.00 0.00 O ATOM 441 CB LEU A 33 2.487 13.634 -1.129 1.00 0.00 C ATOM 442 CG LEU A 33 2.723 13.092 -2.541 1.00 0.00 C ATOM 443 CD1 LEU A 33 4.172 12.635 -2.717 1.00 0.00 C ATOM 444 CD2 LEU A 33 1.727 11.980 -2.875 1.00 0.00 C ATOM 0 H LEU A 33 3.023 14.471 1.132 1.00 0.00 H new ATOM 0 HA LEU A 33 3.896 15.173 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.994 12.979 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.420 13.574 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 33 2.552 13.901 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.313 12.254 -3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.842 13.478 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.395 11.846 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.917 11.613 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.842 11.162 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.711 12.372 -2.816 1.00 0.00 H new ATOM 456 N GLY A 34 1.174 16.665 -0.549 1.00 0.00 N ATOM 457 CA GLY A 34 0.217 17.686 -0.939 1.00 0.00 C ATOM 458 C GLY A 34 -0.468 17.320 -2.258 1.00 0.00 C ATOM 459 O GLY A 34 -0.835 18.199 -3.036 1.00 0.00 O ATOM 0 H GLY A 34 1.147 16.410 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.532 17.805 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.725 18.645 -1.043 1.00 0.00 H new ATOM 463 N ALA A 35 -0.618 16.021 -2.469 1.00 0.00 N ATOM 464 CA ALA A 35 -1.252 15.528 -3.680 1.00 0.00 C ATOM 465 C ALA A 35 -2.361 14.543 -3.306 1.00 0.00 C ATOM 466 O ALA A 35 -2.294 13.894 -2.263 1.00 0.00 O ATOM 467 CB ALA A 35 -0.195 14.897 -4.589 1.00 0.00 C ATOM 0 H ALA A 35 -0.311 15.295 -1.822 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.711 16.347 -4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.670 14.527 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.554 15.645 -4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.286 14.069 -4.068 1.00 0.00 H new ATOM 473 N PRO A 36 -3.382 14.460 -4.200 1.00 0.00 N ATOM 474 CA PRO A 36 -4.504 13.565 -3.974 1.00 0.00 C ATOM 475 C PRO A 36 -4.108 12.111 -4.239 1.00 0.00 C ATOM 476 O PRO A 36 -3.165 11.847 -4.983 1.00 0.00 O ATOM 477 CB PRO A 36 -5.598 14.062 -4.906 1.00 0.00 C ATOM 478 CG PRO A 36 -4.899 14.919 -5.949 1.00 0.00 C ATOM 479 CD PRO A 36 -3.495 15.213 -5.446 1.00 0.00 C ATOM 0 HA PRO A 36 -4.846 13.573 -2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.122 13.228 -5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.343 14.641 -4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.860 14.399 -6.906 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.448 15.846 -6.111 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.742 14.899 -6.168 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.350 16.280 -5.278 1.00 0.00 H new ATOM 487 N GLY A 37 -4.849 11.207 -3.615 1.00 0.00 N ATOM 488 CA GLY A 37 -4.587 9.787 -3.774 1.00 0.00 C ATOM 489 C GLY A 37 -4.228 9.142 -2.434 1.00 0.00 C ATOM 490 O GLY A 37 -3.876 9.836 -1.481 1.00 0.00 O ATOM 0 H GLY A 37 -5.630 11.430 -2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.465 9.296 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.771 9.641 -4.482 1.00 0.00 H new ATOM 494 N LEU A 38 -4.330 7.821 -2.403 1.00 0.00 N ATOM 495 CA LEU A 38 -4.021 7.075 -1.195 1.00 0.00 C ATOM 496 C LEU A 38 -2.590 6.539 -1.284 1.00 0.00 C ATOM 497 O LEU A 38 -2.144 6.126 -2.353 1.00 0.00 O ATOM 498 CB LEU A 38 -5.071 5.989 -0.952 1.00 0.00 C ATOM 499 CG LEU A 38 -6.385 6.455 -0.322 1.00 0.00 C ATOM 500 CD1 LEU A 38 -6.221 6.682 1.182 1.00 0.00 C ATOM 501 CD2 LEU A 38 -6.924 7.697 -1.035 1.00 0.00 C ATOM 0 H LEU A 38 -4.622 7.248 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.064 7.727 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.298 5.511 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.633 5.226 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.125 5.665 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.169 7.013 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.915 5.751 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.461 7.444 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.859 8.008 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.195 8.504 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.103 7.465 -2.085 1.00 0.00 H new ATOM 513 N TYR A 39 -1.912 6.562 -0.146 1.00 0.00 N ATOM 514 CA TYR A 39 -0.541 6.084 -0.083 1.00 0.00 C ATOM 515 C TYR A 39 -0.262 5.396 1.255 1.00 0.00 C ATOM 516 O TYR A 39 -0.696 5.872 2.304 1.00 0.00 O ATOM 517 CB TYR A 39 0.345 7.326 -0.199 1.00 0.00 C ATOM 518 CG TYR A 39 0.071 8.171 -1.445 1.00 0.00 C ATOM 519 CD1 TYR A 39 -1.035 8.996 -1.489 1.00 0.00 C ATOM 520 CD2 TYR A 39 0.929 8.109 -2.523 1.00 0.00 C ATOM 521 CE1 TYR A 39 -1.292 9.792 -2.661 1.00 0.00 C ATOM 522 CE2 TYR A 39 0.671 8.905 -3.696 1.00 0.00 C ATOM 523 CZ TYR A 39 -0.427 9.707 -3.707 1.00 0.00 C ATOM 524 OH TYR A 39 -0.670 10.458 -4.813 1.00 0.00 O ATOM 0 H TYR A 39 -2.286 6.904 0.739 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.350 5.360 -0.875 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.202 7.946 0.686 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.390 7.015 -0.206 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.707 9.044 -0.645 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.794 7.464 -2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.153 10.442 -2.708 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.335 8.866 -4.547 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.548 10.886 -4.731 1.00 0.00 H new ATOM 534 N ILE A 40 0.460 4.289 1.176 1.00 0.00 N ATOM 535 CA ILE A 40 0.802 3.531 2.368 1.00 0.00 C ATOM 536 C ILE A 40 1.581 4.429 3.331 1.00 0.00 C ATOM 537 O ILE A 40 2.505 5.130 2.923 1.00 0.00 O ATOM 538 CB ILE A 40 1.542 2.245 1.991 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.743 1.432 0.971 1.00 0.00 C ATOM 540 CG2 ILE A 40 1.884 1.425 3.237 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.293 0.009 0.852 1.00 0.00 C ATOM 0 H ILE A 40 0.818 3.898 0.305 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.101 3.211 2.889 1.00 0.00 H new ATOM 0 HB ILE A 40 2.484 2.519 1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.305 1.397 1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.782 1.923 -0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.409 0.517 2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.521 2.014 3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.966 1.159 3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.707 -0.548 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.334 0.047 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.230 -0.487 1.820 1.00 0.00 H new ATOM 553 N GLN A 41 1.179 4.378 4.593 1.00 0.00 N ATOM 554 CA GLN A 41 1.827 5.178 5.618 1.00 0.00 C ATOM 555 C GLN A 41 2.492 4.272 6.656 1.00 0.00 C ATOM 556 O GLN A 41 3.580 4.575 7.144 1.00 0.00 O ATOM 557 CB GLN A 41 0.831 6.132 6.280 1.00 0.00 C ATOM 558 CG GLN A 41 1.558 7.269 7.002 1.00 0.00 C ATOM 559 CD GLN A 41 0.994 7.474 8.409 1.00 0.00 C ATOM 560 OE1 GLN A 41 0.789 6.540 9.166 1.00 0.00 O ATOM 561 NE2 GLN A 41 0.755 8.746 8.716 1.00 0.00 N ATOM 0 H GLN A 41 0.412 3.795 4.929 1.00 0.00 H new ATOM 0 HA GLN A 41 2.600 5.784 5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.161 6.545 5.526 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.212 5.583 6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.623 7.044 7.062 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.459 8.191 6.429 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.949 9.480 8.035 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.377 8.987 9.632 1.00 0.00 H new ATOM 570 N THR A 42 1.811 3.178 6.963 1.00 0.00 N ATOM 571 CA THR A 42 2.322 2.226 7.935 1.00 0.00 C ATOM 572 C THR A 42 1.948 0.798 7.530 1.00 0.00 C ATOM 573 O THR A 42 1.115 0.597 6.648 1.00 0.00 O ATOM 574 CB THR A 42 1.791 2.625 9.313 1.00 0.00 C ATOM 575 OG1 THR A 42 0.529 3.228 9.037 1.00 0.00 O ATOM 576 CG2 THR A 42 2.609 3.749 9.952 1.00 0.00 C ATOM 0 H THR A 42 0.909 2.929 6.556 1.00 0.00 H new ATOM 0 HA THR A 42 3.411 2.246 7.973 1.00 0.00 H new ATOM 0 HB THR A 42 1.794 1.755 9.970 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.613 4.203 9.095 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.190 3.994 10.928 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.643 3.424 10.072 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.578 4.631 9.312 1.00 0.00 H new ATOM 584 N LEU A 43 2.583 -0.156 8.195 1.00 0.00 N ATOM 585 CA LEU A 43 2.328 -1.559 7.916 1.00 0.00 C ATOM 586 C LEU A 43 2.413 -2.358 9.218 1.00 0.00 C ATOM 587 O LEU A 43 3.414 -2.286 9.929 1.00 0.00 O ATOM 588 CB LEU A 43 3.267 -2.067 6.820 1.00 0.00 C ATOM 589 CG LEU A 43 2.924 -1.640 5.391 1.00 0.00 C ATOM 590 CD1 LEU A 43 4.130 -1.807 4.464 1.00 0.00 C ATOM 591 CD2 LEU A 43 1.696 -2.391 4.875 1.00 0.00 C ATOM 0 H LEU A 43 3.273 0.015 8.926 1.00 0.00 H new ATOM 0 HA LEU A 43 1.319 -1.692 7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.277 -1.726 7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.283 -3.156 6.859 1.00 0.00 H new ATOM 0 HG LEU A 43 2.672 -0.580 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.859 -1.497 3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.954 -1.191 4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.437 -2.853 4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.474 -2.069 3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.896 -3.463 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.842 -2.177 5.518 1.00 0.00 H new ATOM 603 N LEU A 44 1.350 -3.100 9.490 1.00 0.00 N ATOM 604 CA LEU A 44 1.293 -3.911 10.695 1.00 0.00 C ATOM 605 C LEU A 44 2.182 -5.144 10.517 1.00 0.00 C ATOM 606 O LEU A 44 2.449 -5.564 9.392 1.00 0.00 O ATOM 607 CB LEU A 44 -0.158 -4.245 11.047 1.00 0.00 C ATOM 608 CG LEU A 44 -0.656 -3.730 12.399 1.00 0.00 C ATOM 609 CD1 LEU A 44 -1.787 -2.716 12.216 1.00 0.00 C ATOM 610 CD2 LEU A 44 -1.066 -4.888 13.310 1.00 0.00 C ATOM 0 H LEU A 44 0.522 -3.157 8.897 1.00 0.00 H new ATOM 0 HA LEU A 44 1.684 -3.356 11.547 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.803 -3.840 10.267 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.276 -5.328 11.028 1.00 0.00 H new ATOM 0 HG LEU A 44 0.166 -3.210 12.891 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.123 -2.366 13.192 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.426 -1.870 11.631 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.619 -3.189 11.694 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.416 -4.494 14.264 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.866 -5.457 12.837 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.208 -5.539 13.479 1.00 0.00 H new ATOM 622 N PRO A 45 2.627 -5.703 11.674 1.00 0.00 N ATOM 623 CA PRO A 45 3.480 -6.879 11.657 1.00 0.00 C ATOM 624 C PRO A 45 2.676 -8.135 11.319 1.00 0.00 C ATOM 625 O PRO A 45 3.052 -8.897 10.429 1.00 0.00 O ATOM 626 CB PRO A 45 4.107 -6.930 13.041 1.00 0.00 C ATOM 627 CG PRO A 45 3.233 -6.057 13.927 1.00 0.00 C ATOM 628 CD PRO A 45 2.331 -5.232 13.024 1.00 0.00 C ATOM 0 HA PRO A 45 4.250 -6.829 10.887 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.144 -7.953 13.415 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.132 -6.561 13.019 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.638 -6.673 14.601 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.849 -5.407 14.549 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.280 -5.379 13.273 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.537 -4.166 13.126 1.00 0.00 H new ATOM 636 N GLY A 46 1.583 -8.313 12.047 1.00 0.00 N ATOM 637 CA GLY A 46 0.722 -9.464 11.835 1.00 0.00 C ATOM 638 C GLY A 46 -0.352 -9.161 10.789 1.00 0.00 C ATOM 639 O GLY A 46 -1.519 -9.504 10.973 1.00 0.00 O ATOM 0 H GLY A 46 1.274 -7.679 12.784 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.320 -10.315 11.511 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.249 -9.747 12.775 1.00 0.00 H new ATOM 643 N SER A 47 0.080 -8.519 9.712 1.00 0.00 N ATOM 644 CA SER A 47 -0.830 -8.166 8.636 1.00 0.00 C ATOM 645 C SER A 47 -0.396 -8.849 7.338 1.00 0.00 C ATOM 646 O SER A 47 0.745 -9.292 7.217 1.00 0.00 O ATOM 647 CB SER A 47 -0.891 -6.649 8.443 1.00 0.00 C ATOM 648 OG SER A 47 0.270 -6.147 7.786 1.00 0.00 O ATOM 0 H SER A 47 1.048 -8.235 9.562 1.00 0.00 H new ATOM 0 HA SER A 47 -1.828 -8.512 8.904 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.776 -6.393 7.861 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.997 -6.164 9.413 1.00 0.00 H new ATOM 0 HG SER A 47 0.972 -5.976 8.448 1.00 0.00 H new ATOM 654 N PRO A 48 -1.355 -8.915 6.375 1.00 0.00 N ATOM 655 CA PRO A 48 -1.083 -9.537 5.091 1.00 0.00 C ATOM 656 C PRO A 48 -0.216 -8.630 4.215 1.00 0.00 C ATOM 657 O PRO A 48 0.734 -9.093 3.586 1.00 0.00 O ATOM 658 CB PRO A 48 -2.452 -9.811 4.489 1.00 0.00 C ATOM 659 CG PRO A 48 -3.425 -8.918 5.242 1.00 0.00 C ATOM 660 CD PRO A 48 -2.717 -8.401 6.484 1.00 0.00 C ATOM 0 HA PRO A 48 -0.511 -10.460 5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.462 -9.587 3.422 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.723 -10.861 4.596 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.747 -8.088 4.613 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.320 -9.475 5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.727 -7.312 6.521 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.203 -8.756 7.393 1.00 0.00 H new ATOM 668 N ALA A 49 -0.576 -7.355 4.201 1.00 0.00 N ATOM 669 CA ALA A 49 0.157 -6.379 3.413 1.00 0.00 C ATOM 670 C ALA A 49 1.649 -6.487 3.734 1.00 0.00 C ATOM 671 O ALA A 49 2.493 -6.246 2.872 1.00 0.00 O ATOM 672 CB ALA A 49 -0.398 -4.980 3.686 1.00 0.00 C ATOM 0 H ALA A 49 -1.366 -6.975 4.723 1.00 0.00 H new ATOM 0 HA ALA A 49 0.034 -6.576 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.152 -4.248 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.453 -4.947 3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.290 -4.746 4.745 1.00 0.00 H new ATOM 678 N ALA A 50 1.929 -6.850 4.977 1.00 0.00 N ATOM 679 CA ALA A 50 3.305 -6.993 5.423 1.00 0.00 C ATOM 680 C ALA A 50 3.849 -8.345 4.958 1.00 0.00 C ATOM 681 O ALA A 50 4.940 -8.418 4.393 1.00 0.00 O ATOM 682 CB ALA A 50 3.369 -6.831 6.943 1.00 0.00 C ATOM 0 H ALA A 50 1.227 -7.049 5.689 1.00 0.00 H new ATOM 0 HA ALA A 50 3.933 -6.216 4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.401 -6.938 7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.999 -5.844 7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.753 -7.595 7.417 1.00 0.00 H new ATOM 688 N ALA A 51 3.065 -9.382 5.212 1.00 0.00 N ATOM 689 CA ALA A 51 3.455 -10.728 4.827 1.00 0.00 C ATOM 690 C ALA A 51 3.975 -10.711 3.388 1.00 0.00 C ATOM 691 O ALA A 51 4.976 -11.355 3.079 1.00 0.00 O ATOM 692 CB ALA A 51 2.266 -11.675 5.006 1.00 0.00 C ATOM 0 H ALA A 51 2.161 -9.318 5.680 1.00 0.00 H new ATOM 0 HA ALA A 51 4.261 -11.092 5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.558 -12.685 4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.953 -11.672 6.050 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.439 -11.343 4.378 1.00 0.00 H new ATOM 698 N ASP A 52 3.272 -9.967 2.547 1.00 0.00 N ATOM 699 CA ASP A 52 3.650 -9.858 1.148 1.00 0.00 C ATOM 700 C ASP A 52 5.090 -9.348 1.052 1.00 0.00 C ATOM 701 O ASP A 52 5.911 -9.927 0.344 1.00 0.00 O ATOM 702 CB ASP A 52 2.748 -8.868 0.409 1.00 0.00 C ATOM 703 CG ASP A 52 2.840 -8.924 -1.117 1.00 0.00 C ATOM 704 OD1 ASP A 52 3.723 -8.226 -1.659 1.00 0.00 O ATOM 705 OD2 ASP A 52 2.024 -9.665 -1.707 1.00 0.00 O ATOM 0 H ASP A 52 2.442 -9.434 2.807 1.00 0.00 H new ATOM 0 HA ASP A 52 3.551 -10.844 0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.715 -9.052 0.703 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.997 -7.859 0.736 1.00 0.00 H new ATOM 710 N GLY A 53 5.351 -8.269 1.776 1.00 0.00 N ATOM 711 CA GLY A 53 6.677 -7.674 1.781 1.00 0.00 C ATOM 712 C GLY A 53 6.752 -6.494 0.811 1.00 0.00 C ATOM 713 O GLY A 53 7.133 -5.390 1.199 1.00 0.00 O ATOM 0 H GLY A 53 4.667 -7.792 2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.925 -7.338 2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.417 -8.425 1.504 1.00 0.00 H new ATOM 717 N ARG A 54 6.383 -6.766 -0.432 1.00 0.00 N ATOM 718 CA ARG A 54 6.404 -5.740 -1.461 1.00 0.00 C ATOM 719 C ARG A 54 5.855 -4.423 -0.908 1.00 0.00 C ATOM 720 O ARG A 54 6.533 -3.398 -0.948 1.00 0.00 O ATOM 721 CB ARG A 54 5.575 -6.160 -2.676 1.00 0.00 C ATOM 722 CG ARG A 54 6.232 -5.692 -3.976 1.00 0.00 C ATOM 723 CD ARG A 54 6.598 -4.209 -3.902 1.00 0.00 C ATOM 724 NE ARG A 54 7.242 -3.783 -5.165 1.00 0.00 N ATOM 725 CZ ARG A 54 8.532 -3.996 -5.459 1.00 0.00 C ATOM 726 NH1 ARG A 54 9.323 -4.630 -4.583 1.00 0.00 N ATOM 727 NH2 ARG A 54 9.031 -3.574 -6.629 1.00 0.00 N ATOM 0 H ARG A 54 6.068 -7.682 -0.750 1.00 0.00 H new ATOM 0 HA ARG A 54 7.440 -5.604 -1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.466 -7.244 -2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.572 -5.740 -2.599 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.128 -6.282 -4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.554 -5.862 -4.812 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.703 -3.614 -3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.272 -4.034 -3.063 1.00 0.00 H new ATOM 0 HE ARG A 54 6.668 -3.297 -5.854 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.943 -4.951 -3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.305 -4.792 -4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.429 -3.091 -7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.013 -3.736 -6.853 1.00 0.00 H new ATOM 741 N LEU A 55 4.631 -4.494 -0.405 1.00 0.00 N ATOM 742 CA LEU A 55 3.982 -3.321 0.154 1.00 0.00 C ATOM 743 C LEU A 55 4.991 -2.541 1.001 1.00 0.00 C ATOM 744 O LEU A 55 5.417 -3.012 2.055 1.00 0.00 O ATOM 745 CB LEU A 55 2.717 -3.720 0.917 1.00 0.00 C ATOM 746 CG LEU A 55 1.389 -3.393 0.231 1.00 0.00 C ATOM 747 CD1 LEU A 55 1.407 -3.830 -1.235 1.00 0.00 C ATOM 748 CD2 LEU A 55 0.213 -4.001 0.996 1.00 0.00 C ATOM 0 H LEU A 55 4.072 -5.346 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 55 3.649 -2.654 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.752 -4.793 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.732 -3.227 1.889 1.00 0.00 H new ATOM 0 HG LEU A 55 1.256 -2.311 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.451 -3.586 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.209 -3.310 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.574 -4.906 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.719 -3.754 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.327 -5.084 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.191 -3.599 2.009 1.00 0.00 H new ATOM 760 N SER A 56 5.343 -1.362 0.509 1.00 0.00 N ATOM 761 CA SER A 56 6.293 -0.513 1.208 1.00 0.00 C ATOM 762 C SER A 56 5.609 0.780 1.654 1.00 0.00 C ATOM 763 O SER A 56 4.521 1.106 1.182 1.00 0.00 O ATOM 764 CB SER A 56 7.501 -0.197 0.325 1.00 0.00 C ATOM 765 OG SER A 56 8.255 -1.366 0.012 1.00 0.00 O ATOM 0 H SER A 56 4.987 -0.975 -0.365 1.00 0.00 H new ATOM 0 HA SER A 56 6.650 -1.050 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.162 0.274 -0.598 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.143 0.523 0.833 1.00 0.00 H new ATOM 0 HG SER A 56 7.651 -2.070 -0.303 1.00 0.00 H new ATOM 771 N LEU A 57 6.274 1.482 2.560 1.00 0.00 N ATOM 772 CA LEU A 57 5.744 2.733 3.075 1.00 0.00 C ATOM 773 C LEU A 57 5.964 3.839 2.042 1.00 0.00 C ATOM 774 O LEU A 57 7.070 4.005 1.530 1.00 0.00 O ATOM 775 CB LEU A 57 6.346 3.045 4.447 1.00 0.00 C ATOM 776 CG LEU A 57 6.130 1.986 5.530 1.00 0.00 C ATOM 777 CD1 LEU A 57 6.330 2.581 6.926 1.00 0.00 C ATOM 778 CD2 LEU A 57 4.760 1.321 5.382 1.00 0.00 C ATOM 0 H LEU A 57 7.175 1.208 2.951 1.00 0.00 H new ATOM 0 HA LEU A 57 4.669 2.654 3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.418 3.198 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.927 3.988 4.800 1.00 0.00 H new ATOM 0 HG LEU A 57 6.881 1.207 5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.171 1.808 7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.345 2.969 7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.617 3.391 7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.632 0.573 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.978 2.075 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.692 0.841 4.406 1.00 0.00 H new ATOM 790 N GLY A 58 4.892 4.568 1.765 1.00 0.00 N ATOM 791 CA GLY A 58 4.953 5.654 0.802 1.00 0.00 C ATOM 792 C GLY A 58 4.269 5.263 -0.509 1.00 0.00 C ATOM 793 O GLY A 58 3.844 6.128 -1.274 1.00 0.00 O ATOM 0 H GLY A 58 3.976 4.427 2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.473 6.540 1.217 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.993 5.916 0.609 1.00 0.00 H new ATOM 797 N ASP A 59 4.183 3.959 -0.729 1.00 0.00 N ATOM 798 CA ASP A 59 3.557 3.443 -1.935 1.00 0.00 C ATOM 799 C ASP A 59 2.242 4.186 -2.180 1.00 0.00 C ATOM 800 O ASP A 59 1.676 4.773 -1.259 1.00 0.00 O ATOM 801 CB ASP A 59 3.239 1.953 -1.796 1.00 0.00 C ATOM 802 CG ASP A 59 4.358 1.009 -2.242 1.00 0.00 C ATOM 803 OD1 ASP A 59 4.875 1.229 -3.358 1.00 0.00 O ATOM 804 OD2 ASP A 59 4.670 0.088 -1.456 1.00 0.00 O ATOM 0 H ASP A 59 4.536 3.244 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 59 4.250 3.588 -2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.001 1.743 -0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.344 1.732 -2.378 1.00 0.00 H new ATOM 809 N ARG A 60 1.795 4.137 -3.426 1.00 0.00 N ATOM 810 CA ARG A 60 0.557 4.798 -3.804 1.00 0.00 C ATOM 811 C ARG A 60 -0.398 3.800 -4.462 1.00 0.00 C ATOM 812 O ARG A 60 -0.050 3.166 -5.457 1.00 0.00 O ATOM 813 CB ARG A 60 0.823 5.953 -4.771 1.00 0.00 C ATOM 814 CG ARG A 60 -0.483 6.635 -5.182 1.00 0.00 C ATOM 815 CD ARG A 60 -0.274 7.526 -6.409 1.00 0.00 C ATOM 816 NE ARG A 60 -1.362 8.525 -6.500 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.416 9.495 -7.424 1.00 0.00 C ATOM 818 NH1 ARG A 60 -0.445 9.601 -8.341 1.00 0.00 N ATOM 819 NH2 ARG A 60 -2.441 10.357 -7.430 1.00 0.00 N ATOM 0 H ARG A 60 2.268 3.650 -4.187 1.00 0.00 H new ATOM 0 HA ARG A 60 0.103 5.196 -2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.485 6.680 -4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.337 5.580 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.238 5.880 -5.401 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.861 7.234 -4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.690 8.031 -6.342 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.253 6.916 -7.312 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.118 8.472 -5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.335 8.944 -8.336 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.486 10.339 -9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.180 10.275 -6.732 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.483 11.095 -8.133 1.00 0.00 H new ATOM 833 N ILE A 61 -1.583 3.692 -3.880 1.00 0.00 N ATOM 834 CA ILE A 61 -2.591 2.782 -4.397 1.00 0.00 C ATOM 835 C ILE A 61 -3.204 3.376 -5.667 1.00 0.00 C ATOM 836 O ILE A 61 -3.226 4.594 -5.839 1.00 0.00 O ATOM 837 CB ILE A 61 -3.620 2.450 -3.315 1.00 0.00 C ATOM 838 CG1 ILE A 61 -2.933 2.125 -1.987 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.551 1.324 -3.770 1.00 0.00 C ATOM 840 CD1 ILE A 61 -2.019 0.906 -2.126 1.00 0.00 C ATOM 0 H ILE A 61 -1.868 4.220 -3.055 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.138 1.830 -4.675 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.239 3.332 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.351 2.984 -1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.685 1.935 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.273 1.108 -2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.080 1.631 -4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.965 0.430 -3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.543 0.697 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.608 0.043 -2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.253 1.109 -2.875 1.00 0.00 H new ATOM 852 N LEU A 62 -3.687 2.488 -6.524 1.00 0.00 N ATOM 853 CA LEU A 62 -4.299 2.910 -7.773 1.00 0.00 C ATOM 854 C LEU A 62 -5.674 2.254 -7.909 1.00 0.00 C ATOM 855 O LEU A 62 -6.645 2.911 -8.280 1.00 0.00 O ATOM 856 CB LEU A 62 -3.363 2.627 -8.950 1.00 0.00 C ATOM 857 CG LEU A 62 -1.939 3.170 -8.821 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.060 2.686 -9.976 1.00 0.00 C ATOM 859 CD2 LEU A 62 -1.943 4.696 -8.704 1.00 0.00 C ATOM 0 H LEU A 62 -3.667 1.479 -6.378 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.459 3.988 -7.774 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.307 1.548 -9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.810 3.045 -9.852 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.506 2.777 -7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.053 3.087 -9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.020 1.597 -9.971 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.480 3.029 -10.921 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.918 5.057 -8.613 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.402 5.128 -9.593 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.511 4.992 -7.822 1.00 0.00 H new ATOM 871 N GLU A 63 -5.713 0.966 -7.601 1.00 0.00 N ATOM 872 CA GLU A 63 -6.953 0.213 -7.684 1.00 0.00 C ATOM 873 C GLU A 63 -7.167 -0.601 -6.406 1.00 0.00 C ATOM 874 O GLU A 63 -6.226 -0.831 -5.648 1.00 0.00 O ATOM 875 CB GLU A 63 -6.965 -0.691 -8.918 1.00 0.00 C ATOM 876 CG GLU A 63 -6.966 0.137 -10.204 1.00 0.00 C ATOM 877 CD GLU A 63 -6.821 -0.761 -11.435 1.00 0.00 C ATOM 878 OE1 GLU A 63 -7.112 -1.968 -11.293 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.424 -0.219 -12.489 1.00 0.00 O ATOM 0 H GLU A 63 -4.905 0.424 -7.293 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.777 0.919 -7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.093 -1.345 -8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.845 -1.333 -8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.892 0.707 -10.273 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.149 0.858 -10.177 1.00 0.00 H new ATOM 886 N VAL A 64 -8.410 -1.014 -6.207 1.00 0.00 N ATOM 887 CA VAL A 64 -8.759 -1.797 -5.034 1.00 0.00 C ATOM 888 C VAL A 64 -9.806 -2.844 -5.418 1.00 0.00 C ATOM 889 O VAL A 64 -10.981 -2.520 -5.586 1.00 0.00 O ATOM 890 CB VAL A 64 -9.224 -0.873 -3.906 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.250 -1.572 -3.012 1.00 0.00 C ATOM 892 CG2 VAL A 64 -8.035 -0.367 -3.086 1.00 0.00 C ATOM 0 H VAL A 64 -9.188 -0.821 -6.838 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.886 -2.332 -4.659 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.709 -0.009 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.564 -0.893 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.116 -1.859 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.802 -2.463 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.393 0.287 -2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.508 -1.215 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.356 0.187 -3.734 1.00 0.00 H new ATOM 902 N ASN A 65 -9.343 -4.079 -5.546 1.00 0.00 N ATOM 903 CA ASN A 65 -10.225 -5.175 -5.908 1.00 0.00 C ATOM 904 C ASN A 65 -10.659 -5.016 -7.366 1.00 0.00 C ATOM 905 O ASN A 65 -11.578 -5.693 -7.822 1.00 0.00 O ATOM 906 CB ASN A 65 -11.483 -5.180 -5.038 1.00 0.00 C ATOM 907 CG ASN A 65 -11.599 -6.485 -4.248 1.00 0.00 C ATOM 908 OD1 ASN A 65 -11.681 -7.570 -4.800 1.00 0.00 O ATOM 909 ND2 ASN A 65 -11.602 -6.320 -2.929 1.00 0.00 N ATOM 0 H ASN A 65 -8.368 -4.345 -5.405 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.681 -6.108 -5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.457 -4.335 -4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.364 -5.052 -5.666 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.676 -7.130 -2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.530 -5.383 -2.532 1.00 0.00 H new ATOM 916 N GLY A 66 -9.976 -4.115 -8.058 1.00 0.00 N ATOM 917 CA GLY A 66 -10.279 -3.858 -9.456 1.00 0.00 C ATOM 918 C GLY A 66 -11.148 -2.607 -9.607 1.00 0.00 C ATOM 919 O GLY A 66 -11.852 -2.454 -10.603 1.00 0.00 O ATOM 0 H GLY A 66 -9.214 -3.554 -7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.352 -3.731 -10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.795 -4.718 -9.884 1.00 0.00 H new ATOM 923 N SER A 67 -11.068 -1.746 -8.604 1.00 0.00 N ATOM 924 CA SER A 67 -11.838 -0.514 -8.613 1.00 0.00 C ATOM 925 C SER A 67 -10.909 0.682 -8.830 1.00 0.00 C ATOM 926 O SER A 67 -10.022 0.939 -8.017 1.00 0.00 O ATOM 927 CB SER A 67 -12.624 -0.346 -7.311 1.00 0.00 C ATOM 928 OG SER A 67 -13.614 0.674 -7.412 1.00 0.00 O ATOM 0 H SER A 67 -10.482 -1.877 -7.780 1.00 0.00 H new ATOM 0 HA SER A 67 -12.553 -0.564 -9.434 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.102 -1.291 -7.052 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.936 -0.104 -6.501 1.00 0.00 H new ATOM 0 HG SER A 67 -14.289 0.545 -6.714 1.00 0.00 H new ATOM 934 N SER A 68 -11.145 1.382 -9.930 1.00 0.00 N ATOM 935 CA SER A 68 -10.340 2.545 -10.264 1.00 0.00 C ATOM 936 C SER A 68 -10.439 3.588 -9.148 1.00 0.00 C ATOM 937 O SER A 68 -11.524 4.088 -8.856 1.00 0.00 O ATOM 938 CB SER A 68 -10.777 3.152 -11.598 1.00 0.00 C ATOM 939 OG SER A 68 -12.092 3.697 -11.532 1.00 0.00 O ATOM 0 H SER A 68 -11.882 1.166 -10.601 1.00 0.00 H new ATOM 0 HA SER A 68 -9.302 2.226 -10.363 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.075 3.934 -11.888 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.740 2.387 -12.374 1.00 0.00 H new ATOM 0 HG SER A 68 -12.270 4.013 -10.622 1.00 0.00 H new ATOM 945 N LEU A 69 -9.292 3.885 -8.556 1.00 0.00 N ATOM 946 CA LEU A 69 -9.236 4.859 -7.479 1.00 0.00 C ATOM 947 C LEU A 69 -8.590 6.146 -7.995 1.00 0.00 C ATOM 948 O LEU A 69 -7.556 6.574 -7.484 1.00 0.00 O ATOM 949 CB LEU A 69 -8.533 4.266 -6.256 1.00 0.00 C ATOM 950 CG LEU A 69 -9.166 4.582 -4.900 1.00 0.00 C ATOM 951 CD1 LEU A 69 -9.351 6.090 -4.719 1.00 0.00 C ATOM 952 CD2 LEU A 69 -10.479 3.818 -4.716 1.00 0.00 C ATOM 0 H LEU A 69 -8.394 3.468 -8.802 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.241 5.117 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.495 3.183 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.503 4.622 -6.246 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.485 4.245 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.803 6.287 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.381 6.585 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.001 6.474 -5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.908 4.061 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.178 4.102 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.287 2.746 -4.770 1.00 0.00 H new ATOM 964 N LEU A 70 -9.227 6.728 -9.001 1.00 0.00 N ATOM 965 CA LEU A 70 -8.728 7.958 -9.592 1.00 0.00 C ATOM 966 C LEU A 70 -9.484 9.147 -8.998 1.00 0.00 C ATOM 967 O LEU A 70 -8.877 10.051 -8.426 1.00 0.00 O ATOM 968 CB LEU A 70 -8.796 7.885 -11.119 1.00 0.00 C ATOM 969 CG LEU A 70 -7.745 7.004 -11.796 1.00 0.00 C ATOM 970 CD1 LEU A 70 -8.040 6.848 -13.289 1.00 0.00 C ATOM 971 CD2 LEU A 70 -6.334 7.540 -11.544 1.00 0.00 C ATOM 0 H LEU A 70 -10.085 6.370 -9.422 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.674 8.097 -9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.784 7.520 -11.402 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.704 8.896 -11.516 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.796 6.010 -11.352 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.278 6.217 -13.746 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.019 6.387 -13.420 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.034 7.828 -13.766 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.606 6.895 -12.036 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.252 8.551 -11.944 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.137 7.557 -10.472 1.00 0.00 H new ATOM 983 N GLY A 71 -10.800 9.109 -9.155 1.00 0.00 N ATOM 984 CA GLY A 71 -11.646 10.173 -8.642 1.00 0.00 C ATOM 985 C GLY A 71 -12.498 9.679 -7.472 1.00 0.00 C ATOM 986 O GLY A 71 -13.553 10.244 -7.186 1.00 0.00 O ATOM 0 H GLY A 71 -11.300 8.358 -9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.028 11.010 -8.318 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.293 10.543 -9.437 1.00 0.00 H new ATOM 990 N LEU A 72 -12.010 8.630 -6.827 1.00 0.00 N ATOM 991 CA LEU A 72 -12.714 8.054 -5.694 1.00 0.00 C ATOM 992 C LEU A 72 -12.255 8.745 -4.408 1.00 0.00 C ATOM 993 O LEU A 72 -11.059 8.817 -4.131 1.00 0.00 O ATOM 994 CB LEU A 72 -12.539 6.534 -5.671 1.00 0.00 C ATOM 995 CG LEU A 72 -13.620 5.723 -6.388 1.00 0.00 C ATOM 996 CD1 LEU A 72 -13.421 4.223 -6.163 1.00 0.00 C ATOM 997 CD2 LEU A 72 -15.018 6.184 -5.970 1.00 0.00 C ATOM 0 H LEU A 72 -11.135 8.164 -7.067 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.786 8.227 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.575 6.292 -6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.498 6.209 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.527 5.903 -7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.203 3.670 -6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.447 3.923 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.471 4.005 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.768 5.592 -6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.138 6.053 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.145 7.237 -6.223 1.00 0.00 H new ATOM 1009 N GLY A 73 -13.231 9.235 -3.658 1.00 0.00 N ATOM 1010 CA GLY A 73 -12.942 9.918 -2.408 1.00 0.00 C ATOM 1011 C GLY A 73 -12.277 8.972 -1.407 1.00 0.00 C ATOM 1012 O GLY A 73 -12.434 7.755 -1.499 1.00 0.00 O ATOM 0 H GLY A 73 -14.222 9.173 -3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.289 10.770 -2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.865 10.312 -1.983 1.00 0.00 H new ATOM 1016 N TYR A 74 -11.549 9.566 -0.473 1.00 0.00 N ATOM 1017 CA TYR A 74 -10.860 8.791 0.545 1.00 0.00 C ATOM 1018 C TYR A 74 -11.830 7.860 1.276 1.00 0.00 C ATOM 1019 O TYR A 74 -11.530 6.686 1.486 1.00 0.00 O ATOM 1020 CB TYR A 74 -10.299 9.807 1.541 1.00 0.00 C ATOM 1021 CG TYR A 74 -9.884 9.200 2.883 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -10.825 9.005 3.873 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -8.568 8.846 3.103 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -10.435 8.433 5.135 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -8.178 8.274 4.365 1.00 0.00 C ATOM 1026 CZ TYR A 74 -9.130 8.096 5.319 1.00 0.00 C ATOM 1027 OH TYR A 74 -8.761 7.556 6.512 1.00 0.00 O ATOM 0 H TYR A 74 -11.421 10.575 -0.400 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.083 8.173 0.096 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.435 10.299 1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.049 10.578 1.719 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.855 9.282 3.701 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.831 8.998 2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.162 8.275 5.918 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.152 7.992 4.550 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.800 7.364 6.501 1.00 0.00 H new ATOM 1037 N LEU A 75 -12.974 8.420 1.643 1.00 0.00 N ATOM 1038 CA LEU A 75 -13.990 7.655 2.346 1.00 0.00 C ATOM 1039 C LEU A 75 -14.525 6.558 1.423 1.00 0.00 C ATOM 1040 O LEU A 75 -14.994 5.522 1.892 1.00 0.00 O ATOM 1041 CB LEU A 75 -15.076 8.583 2.893 1.00 0.00 C ATOM 1042 CG LEU A 75 -14.993 8.906 4.386 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -15.970 10.023 4.760 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -15.207 7.649 5.232 1.00 0.00 C ATOM 0 H LEU A 75 -13.219 9.394 1.467 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.560 7.159 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.040 9.520 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.047 8.131 2.693 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.989 9.271 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.891 10.233 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.728 10.923 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.988 9.710 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.143 7.907 6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.191 7.231 5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.440 6.913 4.991 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.437 6.823 0.128 1.00 0.00 N ATOM 1057 CA ARG A 76 -14.906 5.871 -0.864 1.00 0.00 C ATOM 1058 C ARG A 76 -13.883 4.749 -1.050 1.00 0.00 C ATOM 1059 O ARG A 76 -14.245 3.574 -1.096 1.00 0.00 O ATOM 1060 CB ARG A 76 -15.153 6.555 -2.210 1.00 0.00 C ATOM 1061 CG ARG A 76 -16.642 6.844 -2.414 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.390 5.583 -2.851 1.00 0.00 C ATOM 1063 NE ARG A 76 -18.845 5.761 -2.645 1.00 0.00 N ATOM 1064 CZ ARG A 76 -19.473 5.531 -1.484 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -18.777 5.112 -0.418 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -20.796 5.719 -1.389 1.00 0.00 N ATOM 0 H ARG A 76 -14.048 7.684 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 76 -15.846 5.453 -0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.588 7.486 -2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.788 5.920 -3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -17.073 7.224 -1.488 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.765 7.623 -3.166 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.186 5.375 -3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.036 4.724 -2.281 1.00 0.00 H new ATOM 0 HE ARG A 76 -19.405 6.079 -3.436 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -17.770 4.968 -0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.255 4.937 0.466 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -21.325 6.037 -2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -21.274 5.544 -0.505 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.624 5.151 -1.152 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.545 4.194 -1.332 1.00 0.00 C ATOM 1082 C ALA A 77 -11.408 3.344 -0.067 1.00 0.00 C ATOM 1083 O ALA A 77 -11.323 2.119 -0.144 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.254 4.939 -1.677 1.00 0.00 C ATOM 0 H ALA A 77 -12.327 6.126 -1.113 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.763 3.520 -2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.445 4.221 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.395 5.504 -2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.001 5.623 -0.867 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.390 4.027 1.068 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.263 3.350 2.347 1.00 0.00 C ATOM 1092 C VAL A 78 -12.433 2.380 2.523 1.00 0.00 C ATOM 1093 O VAL A 78 -12.241 1.240 2.944 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.164 4.378 3.476 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -12.512 5.064 3.713 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -10.644 3.733 4.762 1.00 0.00 C ATOM 0 H VAL A 78 -11.461 5.043 1.128 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.345 2.763 2.379 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.448 5.141 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.414 5.790 4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.826 5.574 2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.258 4.317 3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.583 4.486 5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.324 2.939 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.654 3.314 4.584 1.00 0.00 H new ATOM 1106 N ASP A 79 -13.620 2.868 2.193 1.00 0.00 N ATOM 1107 CA ASP A 79 -14.821 2.058 2.310 1.00 0.00 C ATOM 1108 C ASP A 79 -14.647 0.776 1.492 1.00 0.00 C ATOM 1109 O ASP A 79 -14.918 -0.319 1.983 1.00 0.00 O ATOM 1110 CB ASP A 79 -16.042 2.803 1.767 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.329 1.978 1.710 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -17.298 0.923 1.040 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -18.316 2.421 2.337 1.00 0.00 O ATOM 0 H ASP A 79 -13.776 3.814 1.845 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.975 1.833 3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.218 3.682 2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.813 3.162 0.764 1.00 0.00 H new ATOM 1118 N LEU A 80 -14.197 0.955 0.259 1.00 0.00 N ATOM 1119 CA LEU A 80 -13.984 -0.174 -0.631 1.00 0.00 C ATOM 1120 C LEU A 80 -13.153 -1.237 0.091 1.00 0.00 C ATOM 1121 O LEU A 80 -13.559 -2.396 0.174 1.00 0.00 O ATOM 1122 CB LEU A 80 -13.370 0.294 -1.952 1.00 0.00 C ATOM 1123 CG LEU A 80 -14.341 0.913 -2.960 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -13.593 1.451 -4.182 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -15.434 -0.083 -3.351 1.00 0.00 C ATOM 0 H LEU A 80 -13.974 1.865 -0.145 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.935 -0.637 -0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.593 1.025 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.881 -0.558 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.833 1.761 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.306 1.885 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.883 2.215 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.057 0.636 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.110 0.382 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.978 -0.965 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.993 -0.377 -2.463 1.00 0.00 H new ATOM 1137 N ILE A 81 -12.006 -0.806 0.593 1.00 0.00 N ATOM 1138 CA ILE A 81 -11.115 -1.706 1.305 1.00 0.00 C ATOM 1139 C ILE A 81 -11.807 -2.202 2.576 1.00 0.00 C ATOM 1140 O ILE A 81 -11.720 -3.381 2.915 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.766 -1.033 1.562 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -8.955 -0.919 0.269 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -8.991 -1.759 2.663 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -8.994 0.509 -0.279 1.00 0.00 C ATOM 0 H ILE A 81 -11.673 0.155 0.521 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.896 -2.584 0.697 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.952 -0.019 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.922 -1.212 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.352 -1.609 -0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.036 -1.260 2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.570 -1.744 3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.814 -2.792 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.410 0.562 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.026 0.790 -0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.574 1.193 0.458 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.478 -1.276 3.246 1.00 0.00 N ATOM 1157 CA ARG A 82 -13.184 -1.605 4.473 1.00 0.00 C ATOM 1158 C ARG A 82 -14.159 -2.758 4.232 1.00 0.00 C ATOM 1159 O ARG A 82 -14.071 -3.797 4.885 1.00 0.00 O ATOM 1160 CB ARG A 82 -13.956 -0.396 5.004 1.00 0.00 C ATOM 1161 CG ARG A 82 -13.015 0.602 5.683 1.00 0.00 C ATOM 1162 CD ARG A 82 -13.260 0.647 7.192 1.00 0.00 C ATOM 1163 NE ARG A 82 -11.993 0.930 7.903 1.00 0.00 N ATOM 1164 CZ ARG A 82 -11.431 2.144 7.983 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -12.021 3.195 7.397 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -10.279 2.306 8.648 1.00 0.00 N ATOM 0 H ARG A 82 -12.548 -0.299 2.963 1.00 0.00 H new ATOM 0 HA ARG A 82 -12.441 -1.902 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.480 0.094 4.184 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.714 -0.727 5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -11.980 0.322 5.487 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.163 1.594 5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.997 1.415 7.426 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.672 -0.304 7.530 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.518 0.152 8.361 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.898 3.071 6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.594 4.119 7.458 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.830 1.505 9.093 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.851 3.230 8.709 1.00 0.00 H new ATOM 1180 N HIS A 83 -15.066 -2.537 3.292 1.00 0.00 N ATOM 1181 CA HIS A 83 -16.057 -3.546 2.956 1.00 0.00 C ATOM 1182 C HIS A 83 -15.529 -4.426 1.821 1.00 0.00 C ATOM 1183 O HIS A 83 -16.294 -4.864 0.963 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.403 -2.897 2.626 1.00 0.00 C ATOM 1185 CG HIS A 83 -17.728 -1.691 3.475 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -17.230 -0.428 3.207 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -18.506 -1.570 4.589 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -17.693 0.408 4.124 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -18.483 -0.302 4.980 1.00 0.00 N ATOM 0 H HIS A 83 -15.136 -1.674 2.752 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.232 -4.190 3.818 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.405 -2.601 1.577 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -18.192 -3.639 2.749 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -16.611 -0.182 2.434 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -19.048 -2.370 5.071 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -17.482 1.466 4.184 1.00 0.00 H new ATOM 1197 N GLY A 84 -14.225 -4.659 1.853 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.586 -5.479 0.838 1.00 0.00 C ATOM 1199 C GLY A 84 -14.114 -6.914 0.881 1.00 0.00 C ATOM 1200 O GLY A 84 -15.307 -7.135 1.087 1.00 0.00 O ATOM 0 H GLY A 84 -13.594 -4.294 2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.767 -5.050 -0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.507 -5.480 0.992 1.00 0.00 H new ATOM 1204 N GLY A 85 -13.201 -7.853 0.681 1.00 0.00 N ATOM 1205 CA GLY A 85 -13.560 -9.261 0.694 1.00 0.00 C ATOM 1206 C GLY A 85 -12.362 -10.129 1.084 1.00 0.00 C ATOM 1207 O GLY A 85 -11.246 -9.628 1.219 1.00 0.00 O ATOM 0 H GLY A 85 -12.213 -7.666 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.377 -9.425 1.397 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.923 -9.557 -0.291 1.00 0.00 H new ATOM 1211 N LYS A 86 -12.633 -11.414 1.255 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.592 -12.356 1.627 1.00 0.00 C ATOM 1213 C LYS A 86 -10.343 -12.089 0.784 1.00 0.00 C ATOM 1214 O LYS A 86 -9.221 -12.197 1.278 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.107 -13.793 1.524 1.00 0.00 C ATOM 1216 CG LYS A 86 -13.211 -14.055 2.550 1.00 0.00 C ATOM 1217 CD LYS A 86 -12.619 -14.465 3.900 1.00 0.00 C ATOM 1218 CE LYS A 86 -12.169 -15.927 3.880 1.00 0.00 C ATOM 1219 NZ LYS A 86 -11.046 -16.136 4.822 1.00 0.00 N ATOM 0 H LYS A 86 -13.560 -11.825 1.143 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.309 -12.217 2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.489 -13.975 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.284 -14.490 1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.819 -13.158 2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.872 -14.841 2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.771 -13.823 4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.361 -14.320 4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.003 -16.574 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.863 -16.206 2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.752 -17.133 4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.245 -15.532 4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.351 -15.889 5.785 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.580 -11.744 -0.473 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.488 -11.460 -1.389 1.00 0.00 C ATOM 1235 C LYS A 87 -9.487 -9.968 -1.727 1.00 0.00 C ATOM 1236 O LYS A 87 -10.424 -9.467 -2.347 1.00 0.00 O ATOM 1237 CB LYS A 87 -9.570 -12.369 -2.618 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.510 -13.471 -2.556 1.00 0.00 C ATOM 1239 CD LYS A 87 -8.696 -14.474 -3.695 1.00 0.00 C ATOM 1240 CE LYS A 87 -7.450 -14.534 -4.582 1.00 0.00 C ATOM 1241 NZ LYS A 87 -7.152 -15.933 -4.962 1.00 0.00 N ATOM 0 H LYS A 87 -11.512 -11.655 -0.879 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.529 -11.682 -0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.562 -12.817 -2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.432 -11.777 -3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.516 -13.028 -2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.572 -13.987 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.902 -15.462 -3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.561 -14.192 -4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.605 -13.933 -5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.599 -14.105 -4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.304 -15.956 -5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.984 -16.497 -4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.958 -16.330 -5.485 1.00 0.00 H new ATOM 1255 N MET A 88 -8.424 -9.299 -1.305 1.00 0.00 N ATOM 1256 CA MET A 88 -8.288 -7.874 -1.555 1.00 0.00 C ATOM 1257 C MET A 88 -7.096 -7.589 -2.470 1.00 0.00 C ATOM 1258 O MET A 88 -5.958 -7.916 -2.135 1.00 0.00 O ATOM 1259 CB MET A 88 -8.099 -7.138 -0.227 1.00 0.00 C ATOM 1260 CG MET A 88 -9.342 -7.272 0.656 1.00 0.00 C ATOM 1261 SD MET A 88 -9.924 -5.656 1.140 1.00 0.00 S ATOM 1262 CE MET A 88 -10.019 -4.869 -0.459 1.00 0.00 C ATOM 0 H MET A 88 -7.649 -9.718 -0.791 1.00 0.00 H new ATOM 0 HA MET A 88 -9.194 -7.523 -2.049 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.232 -7.541 0.296 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.895 -6.084 -0.417 1.00 0.00 H new ATOM 0 HG2 MET A 88 -10.126 -7.803 0.116 1.00 0.00 H new ATOM 0 HG3 MET A 88 -9.107 -7.863 1.541 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.390 -3.979 -0.464 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.674 -5.562 -1.227 1.00 0.00 H new ATOM 0 HE3 MET A 88 -11.051 -4.585 -0.664 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.397 -6.983 -3.609 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.364 -6.651 -4.576 1.00 0.00 C ATOM 1274 C ARG A 89 -6.145 -5.137 -4.620 1.00 0.00 C ATOM 1275 O ARG A 89 -7.098 -4.366 -4.519 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.739 -7.145 -5.974 1.00 0.00 C ATOM 1277 CG ARG A 89 -5.643 -6.807 -6.987 1.00 0.00 C ATOM 1278 CD ARG A 89 -6.195 -5.943 -8.124 1.00 0.00 C ATOM 1279 NE ARG A 89 -6.237 -6.726 -9.379 1.00 0.00 N ATOM 1280 CZ ARG A 89 -6.940 -6.370 -10.463 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -7.664 -5.243 -10.452 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -6.918 -7.141 -11.559 1.00 0.00 N ATOM 0 H ARG A 89 -8.341 -6.713 -3.884 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.445 -7.146 -4.262 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.899 -8.223 -5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.679 -6.689 -6.285 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.830 -6.280 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.224 -7.727 -7.395 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.195 -5.591 -7.872 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.570 -5.060 -8.257 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.697 -7.590 -9.422 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.680 -4.655 -9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -8.199 -4.972 -11.277 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.366 -7.999 -11.568 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.453 -6.870 -12.384 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.885 -4.757 -4.769 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.529 -3.350 -4.827 1.00 0.00 C ATOM 1298 C PHE A 90 -3.468 -3.096 -5.900 1.00 0.00 C ATOM 1299 O PHE A 90 -2.521 -3.869 -6.037 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.953 -2.977 -3.460 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.811 -3.434 -2.278 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -6.013 -2.845 -2.042 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.370 -4.430 -1.464 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.809 -3.269 -0.945 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -5.166 -4.855 -0.367 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.369 -4.265 -0.131 1.00 0.00 C ATOM 0 H PHE A 90 -4.097 -5.400 -4.851 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.408 -2.755 -5.075 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.959 -3.414 -3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.832 -1.895 -3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.363 -2.054 -2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.415 -4.898 -1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.764 -2.800 -0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.816 -5.646 0.280 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.974 -4.588 0.703 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.663 -2.010 -6.635 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.735 -1.645 -7.691 1.00 0.00 C ATOM 1318 C LEU A 91 -1.850 -0.493 -7.211 1.00 0.00 C ATOM 1319 O LEU A 91 -2.205 0.674 -7.369 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.490 -1.342 -8.987 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.626 -1.104 -10.227 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -1.475 -2.109 -10.295 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.476 -1.119 -11.499 1.00 0.00 C ATOM 0 H LEU A 91 -4.450 -1.372 -6.519 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.074 -2.480 -7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.165 -2.172 -9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.109 -0.460 -8.825 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.182 -0.112 -10.148 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.877 -1.917 -11.186 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.849 -2.006 -9.409 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.878 -3.121 -10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.837 -0.947 -12.365 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.968 -2.087 -11.597 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.229 -0.333 -11.442 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.715 -0.861 -6.635 1.00 0.00 N ATOM 1336 CA VAL A 92 0.223 0.128 -6.131 1.00 0.00 C ATOM 1337 C VAL A 92 1.360 0.305 -7.139 1.00 0.00 C ATOM 1338 O VAL A 92 1.888 -0.674 -7.663 1.00 0.00 O ATOM 1339 CB VAL A 92 0.714 -0.278 -4.740 1.00 0.00 C ATOM 1340 CG1 VAL A 92 0.447 -1.761 -4.476 1.00 0.00 C ATOM 1341 CG2 VAL A 92 2.198 0.052 -4.564 1.00 0.00 C ATOM 0 H VAL A 92 -0.424 -1.830 -6.506 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.265 1.096 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 92 0.153 0.300 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.805 -2.024 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.624 -1.955 -4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.969 -2.363 -5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.521 -0.247 -3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.781 -0.486 -5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.350 1.124 -4.689 1.00 0.00 H new ATOM 1351 N ALA A 93 1.705 1.562 -7.379 1.00 0.00 N ATOM 1352 CA ALA A 93 2.770 1.880 -8.314 1.00 0.00 C ATOM 1353 C ALA A 93 4.100 1.955 -7.560 1.00 0.00 C ATOM 1354 O ALA A 93 4.140 2.379 -6.406 1.00 0.00 O ATOM 1355 CB ALA A 93 2.439 3.185 -9.041 1.00 0.00 C ATOM 0 H ALA A 93 1.265 2.372 -6.942 1.00 0.00 H new ATOM 0 HA ALA A 93 2.862 1.100 -9.069 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.238 3.423 -9.743 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.501 3.071 -9.585 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.341 3.992 -8.314 1.00 0.00 H new ATOM 1361 N LYS A 94 5.155 1.536 -8.243 1.00 0.00 N ATOM 1362 CA LYS A 94 6.482 1.550 -7.652 1.00 0.00 C ATOM 1363 C LYS A 94 7.045 2.971 -7.706 1.00 0.00 C ATOM 1364 O LYS A 94 7.605 3.384 -8.721 1.00 0.00 O ATOM 1365 CB LYS A 94 7.379 0.508 -8.325 1.00 0.00 C ATOM 1366 CG LYS A 94 8.338 -0.124 -7.314 1.00 0.00 C ATOM 1367 CD LYS A 94 9.436 0.862 -6.910 1.00 0.00 C ATOM 1368 CE LYS A 94 10.320 1.219 -8.107 1.00 0.00 C ATOM 1369 NZ LYS A 94 11.733 0.877 -7.829 1.00 0.00 N ATOM 0 H LYS A 94 5.118 1.185 -9.200 1.00 0.00 H new ATOM 0 HA LYS A 94 6.434 1.265 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.763 -0.267 -8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.948 0.977 -9.128 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.784 -0.439 -6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.788 -1.019 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.985 1.767 -6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.047 0.427 -6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.977 0.683 -8.992 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.234 2.283 -8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.319 1.126 -8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.061 1.408 -6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.813 -0.143 -7.643 1.00 0.00 H new ATOM 1383 N SER A 95 6.876 3.682 -6.600 1.00 0.00 N ATOM 1384 CA SER A 95 7.360 5.049 -6.509 1.00 0.00 C ATOM 1385 C SER A 95 8.785 5.064 -5.951 1.00 0.00 C ATOM 1386 O SER A 95 9.370 4.010 -5.707 1.00 0.00 O ATOM 1387 CB SER A 95 6.439 5.902 -5.633 1.00 0.00 C ATOM 1388 OG SER A 95 5.791 6.927 -6.381 1.00 0.00 O ATOM 0 H SER A 95 6.411 3.337 -5.760 1.00 0.00 H new ATOM 0 HA SER A 95 7.364 5.477 -7.511 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.689 5.264 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.019 6.352 -4.828 1.00 0.00 H new ATOM 0 HG SER A 95 4.828 6.906 -6.199 1.00 0.00 H new ATOM 1394 N ASP A 96 9.302 6.269 -5.766 1.00 0.00 N ATOM 1395 CA ASP A 96 10.647 6.435 -5.242 1.00 0.00 C ATOM 1396 C ASP A 96 10.571 6.782 -3.754 1.00 0.00 C ATOM 1397 O ASP A 96 9.492 7.061 -3.233 1.00 0.00 O ATOM 1398 CB ASP A 96 11.380 7.572 -5.956 1.00 0.00 C ATOM 1399 CG ASP A 96 11.954 7.211 -7.328 1.00 0.00 C ATOM 1400 OD1 ASP A 96 11.744 6.051 -7.743 1.00 0.00 O ATOM 1401 OD2 ASP A 96 12.589 8.103 -7.930 1.00 0.00 O ATOM 0 H ASP A 96 8.813 7.141 -5.970 1.00 0.00 H new ATOM 0 HA ASP A 96 11.188 5.502 -5.400 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.692 8.409 -6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.194 7.917 -5.318 1.00 0.00 H new ATOM 1406 N VAL A 97 11.730 6.755 -3.113 1.00 0.00 N ATOM 1407 CA VAL A 97 11.808 7.063 -1.695 1.00 0.00 C ATOM 1408 C VAL A 97 11.212 8.450 -1.446 1.00 0.00 C ATOM 1409 O VAL A 97 10.386 8.623 -0.551 1.00 0.00 O ATOM 1410 CB VAL A 97 13.254 6.938 -1.211 1.00 0.00 C ATOM 1411 CG1 VAL A 97 13.734 5.487 -1.288 1.00 0.00 C ATOM 1412 CG2 VAL A 97 14.179 7.864 -2.002 1.00 0.00 C ATOM 0 H VAL A 97 12.623 6.525 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 97 11.223 6.349 -1.116 1.00 0.00 H new ATOM 0 HB VAL A 97 13.285 7.247 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.765 5.426 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.100 4.860 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.680 5.140 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.201 7.755 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.141 7.600 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.856 8.897 -1.874 1.00 0.00 H new ATOM 1422 N GLU A 98 11.655 9.403 -2.253 1.00 0.00 N ATOM 1423 CA GLU A 98 11.176 10.769 -2.132 1.00 0.00 C ATOM 1424 C GLU A 98 9.671 10.782 -1.859 1.00 0.00 C ATOM 1425 O GLU A 98 9.220 11.360 -0.871 1.00 0.00 O ATOM 1426 CB GLU A 98 11.513 11.582 -3.383 1.00 0.00 C ATOM 1427 CG GLU A 98 12.889 12.240 -3.256 1.00 0.00 C ATOM 1428 CD GLU A 98 13.046 13.382 -4.262 1.00 0.00 C ATOM 1429 OE1 GLU A 98 12.560 13.206 -5.400 1.00 0.00 O ATOM 1430 OE2 GLU A 98 13.648 14.405 -3.870 1.00 0.00 O ATOM 0 H GLU A 98 12.341 9.256 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 98 11.683 11.237 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.496 10.933 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.753 12.348 -3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.021 12.622 -2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.668 11.496 -3.421 1.00 0.00 H new ATOM 1437 N THR A 99 8.934 10.137 -2.752 1.00 0.00 N ATOM 1438 CA THR A 99 7.489 10.067 -2.620 1.00 0.00 C ATOM 1439 C THR A 99 7.104 9.627 -1.206 1.00 0.00 C ATOM 1440 O THR A 99 6.133 10.127 -0.639 1.00 0.00 O ATOM 1441 CB THR A 99 6.959 9.135 -3.711 1.00 0.00 C ATOM 1442 OG1 THR A 99 6.694 10.002 -4.810 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.591 8.544 -3.364 1.00 0.00 C ATOM 0 H THR A 99 9.311 9.658 -3.570 1.00 0.00 H new ATOM 0 HA THR A 99 7.031 11.046 -2.759 1.00 0.00 H new ATOM 0 HB THR A 99 7.672 8.327 -3.875 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.348 9.479 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.262 7.890 -4.172 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.666 7.970 -2.440 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.869 9.350 -3.232 1.00 0.00 H new ATOM 1451 N ALA A 100 7.884 8.697 -0.676 1.00 0.00 N ATOM 1452 CA ALA A 100 7.637 8.184 0.661 1.00 0.00 C ATOM 1453 C ALA A 100 8.110 9.211 1.692 1.00 0.00 C ATOM 1454 O ALA A 100 7.474 9.394 2.728 1.00 0.00 O ATOM 1455 CB ALA A 100 8.331 6.831 0.825 1.00 0.00 C ATOM 0 H ALA A 100 8.688 8.285 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 100 6.571 8.024 0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.146 6.446 1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.939 6.129 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.404 6.952 0.675 1.00 0.00 H new ATOM 1461 N LYS A 101 9.223 9.855 1.371 1.00 0.00 N ATOM 1462 CA LYS A 101 9.788 10.858 2.256 1.00 0.00 C ATOM 1463 C LYS A 101 8.686 11.824 2.695 1.00 0.00 C ATOM 1464 O LYS A 101 8.604 12.186 3.868 1.00 0.00 O ATOM 1465 CB LYS A 101 10.981 11.548 1.591 1.00 0.00 C ATOM 1466 CG LYS A 101 12.115 10.554 1.331 1.00 0.00 C ATOM 1467 CD LYS A 101 13.450 11.279 1.150 1.00 0.00 C ATOM 1468 CE LYS A 101 14.590 10.499 1.807 1.00 0.00 C ATOM 1469 NZ LYS A 101 15.524 11.422 2.490 1.00 0.00 N ATOM 0 H LYS A 101 9.748 9.701 0.510 1.00 0.00 H new ATOM 0 HA LYS A 101 10.181 10.391 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.666 12.000 0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.340 12.356 2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.187 9.854 2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.892 9.968 0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.657 11.407 0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.388 12.276 1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.184 9.786 2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.126 9.922 1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.292 10.876 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.925 12.086 1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.013 11.954 3.223 1.00 0.00 H new ATOM 1483 N LYS A 102 7.866 12.215 1.730 1.00 0.00 N ATOM 1484 CA LYS A 102 6.773 13.131 2.003 1.00 0.00 C ATOM 1485 C LYS A 102 5.794 12.476 2.979 1.00 0.00 C ATOM 1486 O LYS A 102 5.202 13.153 3.819 1.00 0.00 O ATOM 1487 CB LYS A 102 6.122 13.592 0.697 1.00 0.00 C ATOM 1488 CG LYS A 102 7.087 14.451 -0.124 1.00 0.00 C ATOM 1489 CD LYS A 102 7.071 14.038 -1.597 1.00 0.00 C ATOM 1490 CE LYS A 102 8.463 14.167 -2.217 1.00 0.00 C ATOM 1491 NZ LYS A 102 8.364 14.622 -3.623 1.00 0.00 N ATOM 0 H LYS A 102 7.937 11.914 0.758 1.00 0.00 H new ATOM 0 HA LYS A 102 7.146 14.035 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.816 12.724 0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.220 14.162 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.811 15.502 -0.034 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.097 14.352 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.723 13.009 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.365 14.662 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.060 14.874 -1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.977 13.207 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.318 14.704 -4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.812 13.933 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.893 15.548 -3.656 1.00 0.00 H new ATOM 1505 N ILE A 103 5.655 11.166 2.837 1.00 0.00 N ATOM 1506 CA ILE A 103 4.759 10.411 3.697 1.00 0.00 C ATOM 1507 C ILE A 103 5.400 10.245 5.076 1.00 0.00 C ATOM 1508 O ILE A 103 4.706 10.007 6.063 1.00 0.00 O ATOM 1509 CB ILE A 103 4.371 9.087 3.035 1.00 0.00 C ATOM 1510 CG1 ILE A 103 3.927 9.306 1.588 1.00 0.00 C ATOM 1511 CG2 ILE A 103 3.308 8.354 3.857 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.401 9.343 1.482 1.00 0.00 C ATOM 0 H ILE A 103 6.148 10.608 2.140 1.00 0.00 H new ATOM 0 HA ILE A 103 3.825 10.954 3.844 1.00 0.00 H new ATOM 0 HB ILE A 103 5.254 8.448 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.344 10.241 1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.320 8.507 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.050 7.416 3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.698 8.145 4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.418 8.978 3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.112 9.500 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.989 8.398 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.013 10.158 2.093 1.00 0.00 H new ATOM 1524 N HIS A 104 6.718 10.378 5.099 1.00 0.00 N ATOM 1525 CA HIS A 104 7.462 10.246 6.341 1.00 0.00 C ATOM 1526 C HIS A 104 7.503 11.595 7.060 1.00 0.00 C ATOM 1527 O HIS A 104 7.281 12.637 6.446 1.00 0.00 O ATOM 1528 CB HIS A 104 8.855 9.669 6.081 1.00 0.00 C ATOM 1529 CG HIS A 104 8.908 8.160 6.100 1.00 0.00 C ATOM 1530 ND1 HIS A 104 9.590 7.446 7.070 1.00 0.00 N ATOM 1531 CD2 HIS A 104 8.357 7.238 5.259 1.00 0.00 C ATOM 1532 CE1 HIS A 104 9.450 6.153 6.814 1.00 0.00 C ATOM 1533 NE2 HIS A 104 8.685 6.027 5.691 1.00 0.00 N ATOM 0 H HIS A 104 7.290 10.576 4.278 1.00 0.00 H new ATOM 0 HA HIS A 104 6.957 9.539 6.999 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.209 10.023 5.112 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.543 10.056 6.832 1.00 0.00 H new ATOM 0 HD2 HIS A 104 7.756 7.457 4.389 1.00 0.00 H new ATOM 0 HE1 HIS A 104 9.868 5.342 7.392 1.00 0.00 H new ATOM 0 HE2 HIS A 104 8.410 5.147 5.255 1.00 0.00 H new