USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 914 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 6 SER OG : rot 31:sc= 0.201 USER MOD Single : A 7 THR OG1 : rot -63:sc= 1.16 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.21) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 101:sc= 1.24 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 76:sc= 1.22 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0056) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -0.0275 (180deg=-0.222) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 43 THR OG1 : rot -18:sc= 0.0114 USER MOD Single : A 44 MET CE :methyl -156:sc= 0 (180deg=-0.482) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.186 USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 0.166 (180deg=0.151) USER MOD Single : A 52 ASN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -148:sc= 1.15 (180deg=0.91) USER MOD Single : A 54 MET CE :methyl -175:sc= -0.13 (180deg=-0.165) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.916 K(o=0.92,f=-3.1!) USER MOD Single : A 70 HIS :FLIP no HE2:sc= 0.353 F(o=-1.2,f=0.35) USER MOD Single : A 71 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.26) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= -0.0408 (180deg=-0.356) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.163 K(o=-0.16,f=-6.7!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 96 ASN : amide:sc= -0.572 K(o=-0.57,f=-9.3!) USER MOD Single : A 99 HIS : no HD1:sc= -0.345 X(o=-0.35,f=-0.038) USER MOD Single : A 106 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00252) USER MOD Single : A 109 GLN : amide:sc= -0.0994 K(o=-0.099,f=-2!) USER MOD Single : A 110 LYS NZ :NH3+ 165:sc= -0.0308 (180deg=-0.255) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= 1.15 K(o=1.2,f=-0.6) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -160:sc= -1.3 USER MOD Single : A 121 LYS NZ :NH3+ 169:sc= -0.0102 (180deg=-0.155) USER MOD ----------------------------------------------------------------- ATOM 85 N SER A 6 6.412 10.038 -5.021 1.00 0.00 N ATOM 86 CA SER A 6 5.060 10.340 -4.576 1.00 0.00 C ATOM 87 C SER A 6 5.041 10.704 -3.091 1.00 0.00 C ATOM 88 O SER A 6 4.980 9.828 -2.228 1.00 0.00 O ATOM 89 CB SER A 6 4.146 9.142 -4.842 1.00 0.00 C ATOM 90 OG SER A 6 4.278 8.690 -6.182 1.00 0.00 O ATOM 0 HA SER A 6 4.695 11.200 -5.138 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.392 8.332 -4.155 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.110 9.420 -4.648 1.00 0.00 H new ATOM 0 HG SER A 6 5.188 8.867 -6.499 1.00 0.00 H new ATOM 96 N THR A 7 5.107 11.998 -2.803 1.00 0.00 N ATOM 97 CA THR A 7 5.102 12.482 -1.429 1.00 0.00 C ATOM 98 C THR A 7 3.682 12.593 -0.876 1.00 0.00 C ATOM 99 O THR A 7 2.721 12.178 -1.526 1.00 0.00 O ATOM 100 CB THR A 7 5.797 13.853 -1.321 1.00 0.00 C ATOM 101 OG1 THR A 7 5.131 14.827 -2.143 1.00 0.00 O ATOM 102 CG2 THR A 7 7.252 13.743 -1.738 1.00 0.00 C ATOM 0 H THR A 7 5.165 12.734 -3.507 1.00 0.00 H new ATOM 0 HA THR A 7 5.653 11.751 -0.836 1.00 0.00 H new ATOM 0 HB THR A 7 5.746 14.176 -0.281 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.192 14.558 -3.083 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.729 14.720 -1.656 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.764 13.034 -1.088 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.310 13.397 -2.770 1.00 0.00 H new ATOM 110 N THR A 8 3.554 13.155 0.325 1.00 0.00 N ATOM 111 CA THR A 8 2.253 13.346 0.949 1.00 0.00 C ATOM 112 C THR A 8 1.359 14.205 0.063 1.00 0.00 C ATOM 113 O THR A 8 0.172 13.919 -0.115 1.00 0.00 O ATOM 114 CB THR A 8 2.398 14.017 2.328 1.00 0.00 C ATOM 115 OG1 THR A 8 3.403 13.347 3.101 1.00 0.00 O ATOM 116 CG2 THR A 8 1.078 13.991 3.082 1.00 0.00 C ATOM 0 H THR A 8 4.340 13.486 0.884 1.00 0.00 H new ATOM 0 HA THR A 8 1.799 12.364 1.079 1.00 0.00 H new ATOM 0 HB THR A 8 2.693 15.054 2.170 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.488 13.783 3.975 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.204 14.470 4.053 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.321 14.526 2.509 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.761 12.958 3.226 1.00 0.00 H new ATOM 124 N GLU A 9 1.956 15.238 -0.515 1.00 0.00 N ATOM 125 CA GLU A 9 1.247 16.159 -1.383 1.00 0.00 C ATOM 126 C GLU A 9 0.697 15.432 -2.608 1.00 0.00 C ATOM 127 O GLU A 9 -0.458 15.623 -2.990 1.00 0.00 O ATOM 128 CB GLU A 9 2.181 17.291 -1.800 1.00 0.00 C ATOM 129 CG GLU A 9 2.737 18.064 -0.617 1.00 0.00 C ATOM 130 CD GLU A 9 3.785 19.080 -1.017 1.00 0.00 C ATOM 131 OE1 GLU A 9 3.439 20.057 -1.705 1.00 0.00 O ATOM 132 OE2 GLU A 9 4.963 18.908 -0.636 1.00 0.00 O ATOM 0 H GLU A 9 2.944 15.458 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 9 0.402 16.580 -0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.007 16.879 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.643 17.976 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.920 18.574 -0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.171 17.364 0.097 1.00 0.00 H new ATOM 139 N ASP A 10 1.525 14.581 -3.205 1.00 0.00 N ATOM 140 CA ASP A 10 1.115 13.792 -4.364 1.00 0.00 C ATOM 141 C ASP A 10 0.057 12.778 -3.963 1.00 0.00 C ATOM 142 O ASP A 10 -0.906 12.542 -4.695 1.00 0.00 O ATOM 143 CB ASP A 10 2.303 13.051 -4.980 1.00 0.00 C ATOM 144 CG ASP A 10 3.445 13.969 -5.351 1.00 0.00 C ATOM 145 OD1 ASP A 10 3.414 14.537 -6.461 1.00 0.00 O ATOM 146 OD2 ASP A 10 4.381 14.119 -4.535 1.00 0.00 O ATOM 0 H ASP A 10 2.486 14.419 -2.905 1.00 0.00 H new ATOM 0 HA ASP A 10 0.708 14.482 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.662 12.301 -4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.969 12.518 -5.870 1.00 0.00 H new ATOM 151 N LEU A 11 0.239 12.192 -2.787 1.00 0.00 N ATOM 152 CA LEU A 11 -0.662 11.165 -2.289 1.00 0.00 C ATOM 153 C LEU A 11 -2.071 11.718 -2.105 1.00 0.00 C ATOM 154 O LEU A 11 -3.055 11.018 -2.335 1.00 0.00 O ATOM 155 CB LEU A 11 -0.139 10.582 -0.972 1.00 0.00 C ATOM 156 CG LEU A 11 -1.025 9.508 -0.354 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.066 8.286 -1.253 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.527 9.138 1.034 1.00 0.00 C ATOM 0 H LEU A 11 1.010 12.414 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.705 10.366 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.852 10.161 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.020 11.393 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.037 9.902 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.702 7.524 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.468 8.564 -2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.058 7.891 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.173 8.370 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.492 8.758 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.543 10.020 1.674 1.00 0.00 H new ATOM 170 N GLN A 12 -2.158 12.986 -1.720 1.00 0.00 N ATOM 171 CA GLN A 12 -3.449 13.635 -1.521 1.00 0.00 C ATOM 172 C GLN A 12 -4.217 13.713 -2.832 1.00 0.00 C ATOM 173 O GLN A 12 -5.447 13.665 -2.849 1.00 0.00 O ATOM 174 CB GLN A 12 -3.270 15.033 -0.935 1.00 0.00 C ATOM 175 CG GLN A 12 -2.797 15.040 0.511 1.00 0.00 C ATOM 176 CD GLN A 12 -3.760 14.334 1.446 1.00 0.00 C ATOM 177 OE1 GLN A 12 -4.685 14.944 1.979 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.545 13.046 1.662 1.00 0.00 N ATOM 0 H GLN A 12 -1.352 13.584 -1.540 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.021 13.034 -0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.552 15.582 -1.544 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.218 15.567 -0.999 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.820 14.560 0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.666 16.071 0.841 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.767 12.575 1.201 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.158 12.525 2.289 1.00 0.00 H new ATOM 187 N ARG A 13 -3.480 13.823 -3.927 1.00 0.00 N ATOM 188 CA ARG A 13 -4.079 13.858 -5.248 1.00 0.00 C ATOM 189 C ARG A 13 -4.632 12.487 -5.615 1.00 0.00 C ATOM 190 O ARG A 13 -5.843 12.322 -5.763 1.00 0.00 O ATOM 191 CB ARG A 13 -3.056 14.302 -6.296 1.00 0.00 C ATOM 192 CG ARG A 13 -3.591 14.245 -7.715 1.00 0.00 C ATOM 193 CD ARG A 13 -2.524 14.582 -8.738 1.00 0.00 C ATOM 194 NE ARG A 13 -2.986 14.324 -10.101 1.00 0.00 N ATOM 195 CZ ARG A 13 -2.357 14.747 -11.197 1.00 0.00 C ATOM 196 NH1 ARG A 13 -1.256 15.486 -11.095 1.00 0.00 N ATOM 197 NH2 ARG A 13 -2.832 14.430 -12.394 1.00 0.00 N ATOM 0 H ARG A 13 -2.462 13.890 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.896 14.579 -5.231 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.738 15.321 -6.075 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.172 13.669 -6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.983 13.248 -7.915 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.424 14.941 -7.817 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.244 15.631 -8.640 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.629 13.993 -8.539 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.844 13.786 -10.221 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.890 15.731 -10.175 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.778 15.808 -11.937 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.677 13.864 -12.474 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.353 14.752 -13.235 1.00 0.00 H new ATOM 211 N TYR A 14 -3.738 11.498 -5.715 1.00 0.00 N ATOM 212 CA TYR A 14 -4.106 10.162 -6.192 1.00 0.00 C ATOM 213 C TYR A 14 -5.242 9.571 -5.368 1.00 0.00 C ATOM 214 O TYR A 14 -6.149 8.940 -5.904 1.00 0.00 O ATOM 215 CB TYR A 14 -2.910 9.210 -6.134 1.00 0.00 C ATOM 216 CG TYR A 14 -1.663 9.730 -6.814 1.00 0.00 C ATOM 217 CD1 TYR A 14 -1.707 10.203 -8.119 1.00 0.00 C ATOM 218 CD2 TYR A 14 -0.440 9.731 -6.156 1.00 0.00 C ATOM 219 CE1 TYR A 14 -0.566 10.665 -8.748 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.704 10.193 -6.777 1.00 0.00 C ATOM 221 CZ TYR A 14 0.636 10.659 -8.072 1.00 0.00 C ATOM 222 OH TYR A 14 1.776 11.115 -8.692 1.00 0.00 O ATOM 0 H TYR A 14 -2.753 11.598 -5.471 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.434 10.275 -7.225 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.679 9.000 -5.090 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.192 8.263 -6.595 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.647 10.210 -8.651 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.382 9.364 -5.142 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.616 11.029 -9.764 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.647 10.189 -6.250 1.00 0.00 H new ATOM 0 HH TYR A 14 2.535 11.043 -8.076 1.00 0.00 H new ATOM 232 N ARG A 15 -5.189 9.796 -4.064 1.00 0.00 N ATOM 233 CA ARG A 15 -6.160 9.222 -3.148 1.00 0.00 C ATOM 234 C ARG A 15 -7.549 9.803 -3.396 1.00 0.00 C ATOM 235 O ARG A 15 -8.552 9.095 -3.327 1.00 0.00 O ATOM 236 CB ARG A 15 -5.682 9.438 -1.706 1.00 0.00 C ATOM 237 CG ARG A 15 -6.725 9.979 -0.738 1.00 0.00 C ATOM 238 CD ARG A 15 -6.155 10.058 0.673 1.00 0.00 C ATOM 239 NE ARG A 15 -7.141 10.501 1.652 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.144 10.114 2.925 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.252 9.226 3.358 1.00 0.00 N ATOM 242 NH2 ARG A 15 -8.054 10.600 3.762 1.00 0.00 N ATOM 0 H ARG A 15 -4.479 10.375 -3.616 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.241 8.149 -3.320 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.312 8.488 -1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.837 10.126 -1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.051 10.968 -1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.605 9.336 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.775 9.078 0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.307 10.743 0.681 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.870 11.144 1.343 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.563 8.840 2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.258 8.932 4.335 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.748 11.268 3.428 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.058 10.305 4.738 1.00 0.00 H new ATOM 256 N THR A 16 -7.593 11.082 -3.733 1.00 0.00 N ATOM 257 CA THR A 16 -8.844 11.758 -4.017 1.00 0.00 C ATOM 258 C THR A 16 -9.432 11.286 -5.349 1.00 0.00 C ATOM 259 O THR A 16 -10.622 10.970 -5.440 1.00 0.00 O ATOM 260 CB THR A 16 -8.623 13.279 -4.049 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.187 13.728 -2.759 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.888 14.013 -4.453 1.00 0.00 C ATOM 0 H THR A 16 -6.768 11.675 -3.816 1.00 0.00 H new ATOM 0 HA THR A 16 -9.552 11.513 -3.226 1.00 0.00 H new ATOM 0 HB THR A 16 -7.857 13.498 -4.793 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.217 13.864 -2.771 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.698 15.086 -4.466 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.196 13.687 -5.446 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.680 13.794 -3.737 1.00 0.00 H new ATOM 270 N GLU A 17 -8.584 11.225 -6.370 1.00 0.00 N ATOM 271 CA GLU A 17 -9.002 10.773 -7.697 1.00 0.00 C ATOM 272 C GLU A 17 -9.518 9.334 -7.633 1.00 0.00 C ATOM 273 O GLU A 17 -10.470 8.975 -8.327 1.00 0.00 O ATOM 274 CB GLU A 17 -7.842 10.871 -8.702 1.00 0.00 C ATOM 275 CG GLU A 17 -6.969 12.102 -8.509 1.00 0.00 C ATOM 276 CD GLU A 17 -5.741 12.099 -9.393 1.00 0.00 C ATOM 277 OE1 GLU A 17 -4.916 11.176 -9.265 1.00 0.00 O ATOM 278 OE2 GLU A 17 -5.585 13.030 -10.211 1.00 0.00 O ATOM 0 H GLU A 17 -7.599 11.483 -6.306 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.808 11.424 -8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.221 9.979 -8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.249 10.880 -9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.558 12.995 -8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.659 12.161 -7.466 1.00 0.00 H new ATOM 285 N CYS A 18 -8.904 8.516 -6.783 1.00 0.00 N ATOM 286 CA CYS A 18 -9.356 7.144 -6.590 1.00 0.00 C ATOM 287 C CYS A 18 -10.676 7.114 -5.830 1.00 0.00 C ATOM 288 O CYS A 18 -11.530 6.267 -6.091 1.00 0.00 O ATOM 289 CB CYS A 18 -8.306 6.309 -5.856 1.00 0.00 C ATOM 290 SG CYS A 18 -6.798 6.000 -6.834 1.00 0.00 S ATOM 0 H CYS A 18 -8.095 8.779 -6.219 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.508 6.706 -7.577 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.031 6.818 -4.932 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.747 5.353 -5.574 1.00 0.00 H new ATOM 295 N VAL A 19 -10.849 8.056 -4.909 1.00 0.00 N ATOM 296 CA VAL A 19 -12.077 8.151 -4.138 1.00 0.00 C ATOM 297 C VAL A 19 -13.261 8.432 -5.052 1.00 0.00 C ATOM 298 O VAL A 19 -14.268 7.720 -5.019 1.00 0.00 O ATOM 299 CB VAL A 19 -11.975 9.231 -3.034 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.347 9.763 -2.653 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.281 8.662 -1.809 1.00 0.00 C ATOM 0 H VAL A 19 -10.151 8.764 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.233 7.191 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.388 10.060 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.241 10.520 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.821 10.206 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.964 8.945 -2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.215 9.430 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.851 7.815 -1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.278 8.332 -2.080 1.00 0.00 H new ATOM 311 N SER A 20 -13.119 9.448 -5.883 1.00 0.00 N ATOM 312 CA SER A 20 -14.170 9.828 -6.812 1.00 0.00 C ATOM 313 C SER A 20 -14.482 8.699 -7.805 1.00 0.00 C ATOM 314 O SER A 20 -15.644 8.438 -8.111 1.00 0.00 O ATOM 315 CB SER A 20 -13.752 11.092 -7.562 1.00 0.00 C ATOM 316 OG SER A 20 -13.422 12.135 -6.656 1.00 0.00 O ATOM 0 H SER A 20 -12.282 10.028 -5.934 1.00 0.00 H new ATOM 0 HA SER A 20 -15.078 10.022 -6.242 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.895 10.874 -8.200 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.562 11.416 -8.216 1.00 0.00 H new ATOM 0 HG SER A 20 -13.156 12.933 -7.159 1.00 0.00 H new ATOM 322 N SER A 21 -13.447 8.012 -8.278 1.00 0.00 N ATOM 323 CA SER A 21 -13.609 7.003 -9.319 1.00 0.00 C ATOM 324 C SER A 21 -14.218 5.709 -8.777 1.00 0.00 C ATOM 325 O SER A 21 -15.117 5.132 -9.391 1.00 0.00 O ATOM 326 CB SER A 21 -12.254 6.718 -9.959 1.00 0.00 C ATOM 327 OG SER A 21 -11.693 7.904 -10.498 1.00 0.00 O ATOM 0 H SER A 21 -12.487 8.136 -7.957 1.00 0.00 H new ATOM 0 HA SER A 21 -14.300 7.395 -10.065 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.578 6.295 -9.216 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.368 5.973 -10.747 1.00 0.00 H new ATOM 0 HG SER A 21 -11.341 8.459 -9.771 1.00 0.00 H new ATOM 333 N LEU A 22 -13.744 5.257 -7.622 1.00 0.00 N ATOM 334 CA LEU A 22 -14.203 3.992 -7.057 1.00 0.00 C ATOM 335 C LEU A 22 -15.484 4.161 -6.246 1.00 0.00 C ATOM 336 O LEU A 22 -15.890 3.253 -5.518 1.00 0.00 O ATOM 337 CB LEU A 22 -13.113 3.384 -6.182 1.00 0.00 C ATOM 338 CG LEU A 22 -11.890 2.891 -6.939 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.786 2.544 -5.963 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.243 1.681 -7.782 1.00 0.00 C ATOM 0 H LEU A 22 -13.046 5.744 -7.060 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.423 3.322 -7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.795 4.128 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.538 2.550 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.543 3.684 -7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.913 2.191 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.519 3.429 -5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.130 1.761 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.357 1.340 -8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.607 0.882 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.019 1.951 -8.498 1.00 0.00 H new ATOM 352 N ASN A 23 -16.113 5.328 -6.387 1.00 0.00 N ATOM 353 CA ASN A 23 -17.352 5.647 -5.675 1.00 0.00 C ATOM 354 C ASN A 23 -17.183 5.465 -4.169 1.00 0.00 C ATOM 355 O ASN A 23 -18.094 4.991 -3.484 1.00 0.00 O ATOM 356 CB ASN A 23 -18.507 4.777 -6.181 1.00 0.00 C ATOM 357 CG ASN A 23 -18.785 4.964 -7.660 1.00 0.00 C ATOM 358 OD1 ASN A 23 -19.553 5.841 -8.054 1.00 0.00 O ATOM 359 ND2 ASN A 23 -18.180 4.133 -8.491 1.00 0.00 N ATOM 0 H ASN A 23 -15.780 6.076 -6.995 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.587 6.693 -5.872 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.276 3.729 -5.990 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.408 5.013 -5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -18.344 4.207 -9.495 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -17.550 3.418 -8.128 1.00 0.00 H new ATOM 366 N ILE A 24 -16.010 5.830 -3.660 1.00 0.00 N ATOM 367 CA ILE A 24 -15.714 5.703 -2.243 1.00 0.00 C ATOM 368 C ILE A 24 -16.525 6.716 -1.441 1.00 0.00 C ATOM 369 O ILE A 24 -16.403 7.925 -1.650 1.00 0.00 O ATOM 370 CB ILE A 24 -14.211 5.918 -1.953 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.341 5.054 -2.881 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.908 5.605 -0.494 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.544 3.564 -2.719 1.00 0.00 C ATOM 0 H ILE A 24 -15.247 6.218 -4.215 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.984 4.690 -1.945 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.972 6.964 -2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.552 5.327 -3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.292 5.288 -2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.846 5.760 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.493 6.263 0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.167 4.568 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.892 3.031 -3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.304 3.273 -1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.583 3.313 -2.933 1.00 0.00 H new ATOM 385 N PRO A 25 -17.380 6.227 -0.532 1.00 0.00 N ATOM 386 CA PRO A 25 -18.193 7.082 0.331 1.00 0.00 C ATOM 387 C PRO A 25 -17.335 7.935 1.253 1.00 0.00 C ATOM 388 O PRO A 25 -16.282 7.498 1.733 1.00 0.00 O ATOM 389 CB PRO A 25 -19.030 6.099 1.154 1.00 0.00 C ATOM 390 CG PRO A 25 -18.927 4.792 0.456 1.00 0.00 C ATOM 391 CD PRO A 25 -17.615 4.801 -0.273 1.00 0.00 C ATOM 0 HA PRO A 25 -18.795 7.781 -0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.656 6.027 2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -20.067 6.427 1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.970 3.968 1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.756 4.657 -0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.818 4.365 0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.665 4.227 -1.198 1.00 0.00 H new ATOM 399 N ALA A 26 -17.804 9.157 1.488 1.00 0.00 N ATOM 400 CA ALA A 26 -17.124 10.114 2.353 1.00 0.00 C ATOM 401 C ALA A 26 -16.838 9.516 3.724 1.00 0.00 C ATOM 402 O ALA A 26 -15.846 9.861 4.360 1.00 0.00 O ATOM 403 CB ALA A 26 -17.975 11.362 2.497 1.00 0.00 C ATOM 0 H ALA A 26 -18.670 9.512 1.082 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.169 10.372 1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.466 12.077 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -18.134 11.809 1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.937 11.098 2.935 1.00 0.00 H new ATOM 409 N ASP A 27 -17.725 8.630 4.166 1.00 0.00 N ATOM 410 CA ASP A 27 -17.560 7.912 5.429 1.00 0.00 C ATOM 411 C ASP A 27 -16.197 7.229 5.507 1.00 0.00 C ATOM 412 O ASP A 27 -15.444 7.434 6.459 1.00 0.00 O ATOM 413 CB ASP A 27 -18.666 6.867 5.594 1.00 0.00 C ATOM 414 CG ASP A 27 -20.034 7.486 5.796 1.00 0.00 C ATOM 415 OD1 ASP A 27 -20.517 7.507 6.946 1.00 0.00 O ATOM 416 OD2 ASP A 27 -20.631 7.961 4.808 1.00 0.00 O ATOM 0 H ASP A 27 -18.578 8.389 3.661 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.626 8.643 6.235 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.689 6.227 4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.432 6.228 6.446 1.00 0.00 H new ATOM 421 N TYR A 28 -15.880 6.418 4.500 1.00 0.00 N ATOM 422 CA TYR A 28 -14.598 5.731 4.447 1.00 0.00 C ATOM 423 C TYR A 28 -13.433 6.717 4.383 1.00 0.00 C ATOM 424 O TYR A 28 -12.383 6.481 4.974 1.00 0.00 O ATOM 425 CB TYR A 28 -14.558 4.778 3.252 1.00 0.00 C ATOM 426 CG TYR A 28 -15.259 3.465 3.522 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.539 2.331 3.881 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.641 3.362 3.432 1.00 0.00 C ATOM 429 CE1 TYR A 28 -15.177 1.133 4.140 1.00 0.00 C ATOM 430 CE2 TYR A 28 -17.286 2.167 3.688 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.549 1.056 4.041 1.00 0.00 C ATOM 432 OH TYR A 28 -17.185 -0.135 4.302 1.00 0.00 O ATOM 0 H TYR A 28 -16.496 6.222 3.711 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.491 5.154 5.366 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -15.022 5.262 2.392 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.520 4.581 2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.463 2.387 3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -17.221 4.230 3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -14.603 0.262 4.419 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -18.361 2.103 3.612 1.00 0.00 H new ATOM 0 HH TYR A 28 -18.152 -0.021 4.189 1.00 0.00 H new ATOM 442 N VAL A 29 -13.635 7.824 3.675 1.00 0.00 N ATOM 443 CA VAL A 29 -12.613 8.858 3.545 1.00 0.00 C ATOM 444 C VAL A 29 -12.209 9.420 4.915 1.00 0.00 C ATOM 445 O VAL A 29 -11.027 9.665 5.173 1.00 0.00 O ATOM 446 CB VAL A 29 -13.100 9.999 2.639 1.00 0.00 C ATOM 447 CG1 VAL A 29 -12.034 11.069 2.501 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.495 9.457 1.279 1.00 0.00 C ATOM 0 H VAL A 29 -14.503 8.029 3.180 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.738 8.393 3.090 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.977 10.455 3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.401 11.867 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.799 11.477 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.135 10.633 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.838 10.276 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.634 8.976 0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.297 8.729 1.397 1.00 0.00 H new ATOM 458 N GLU A 30 -13.197 9.605 5.795 1.00 0.00 N ATOM 459 CA GLU A 30 -12.939 10.072 7.164 1.00 0.00 C ATOM 460 C GLU A 30 -11.998 9.106 7.888 1.00 0.00 C ATOM 461 O GLU A 30 -11.120 9.524 8.646 1.00 0.00 O ATOM 462 CB GLU A 30 -14.237 10.195 7.969 1.00 0.00 C ATOM 463 CG GLU A 30 -15.358 10.923 7.241 1.00 0.00 C ATOM 464 CD GLU A 30 -15.169 12.426 7.229 1.00 0.00 C ATOM 465 OE1 GLU A 30 -14.539 12.951 6.289 1.00 0.00 O ATOM 466 OE2 GLU A 30 -15.657 13.098 8.165 1.00 0.00 O ATOM 0 H GLU A 30 -14.182 9.439 5.586 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.477 11.056 7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.581 9.196 8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.025 10.719 8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.415 10.560 6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.309 10.684 7.717 1.00 0.00 H new ATOM 473 N LYS A 31 -12.183 7.814 7.637 1.00 0.00 N ATOM 474 CA LYS A 31 -11.361 6.781 8.261 1.00 0.00 C ATOM 475 C LYS A 31 -9.926 6.850 7.755 1.00 0.00 C ATOM 476 O LYS A 31 -8.975 6.817 8.535 1.00 0.00 O ATOM 477 CB LYS A 31 -11.930 5.392 7.977 1.00 0.00 C ATOM 478 CG LYS A 31 -13.361 5.213 8.447 1.00 0.00 C ATOM 479 CD LYS A 31 -13.849 3.794 8.216 1.00 0.00 C ATOM 480 CE LYS A 31 -15.338 3.666 8.519 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.638 3.858 9.964 1.00 0.00 N ATOM 0 H LYS A 31 -12.898 7.456 7.003 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.369 6.959 9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.882 5.201 6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.301 4.645 8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.430 5.454 9.508 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.009 5.912 7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.660 3.505 7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.286 3.106 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.890 4.402 7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.687 2.682 8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.657 3.728 10.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.106 3.162 10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.361 4.818 10.252 1.00 0.00 H new ATOM 495 N PHE A 32 -9.780 6.964 6.439 1.00 0.00 N ATOM 496 CA PHE A 32 -8.469 6.969 5.799 1.00 0.00 C ATOM 497 C PHE A 32 -7.633 8.172 6.237 1.00 0.00 C ATOM 498 O PHE A 32 -6.413 8.166 6.102 1.00 0.00 O ATOM 499 CB PHE A 32 -8.609 6.961 4.272 1.00 0.00 C ATOM 500 CG PHE A 32 -9.472 5.852 3.735 1.00 0.00 C ATOM 501 CD1 PHE A 32 -10.230 6.044 2.591 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.527 4.624 4.372 1.00 0.00 C ATOM 503 CE1 PHE A 32 -11.026 5.030 2.093 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.322 3.609 3.880 1.00 0.00 C ATOM 505 CZ PHE A 32 -11.072 3.812 2.738 1.00 0.00 C ATOM 0 H PHE A 32 -10.561 7.055 5.790 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.953 6.062 6.114 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.025 7.916 3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.617 6.881 3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.198 6.997 2.083 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.941 4.459 5.264 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.611 5.191 1.200 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.358 2.656 4.388 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.693 3.018 2.351 1.00 0.00 H new ATOM 515 N LYS A 33 -8.286 9.205 6.762 1.00 0.00 N ATOM 516 CA LYS A 33 -7.577 10.388 7.230 1.00 0.00 C ATOM 517 C LYS A 33 -6.975 10.132 8.612 1.00 0.00 C ATOM 518 O LYS A 33 -6.176 10.922 9.116 1.00 0.00 O ATOM 519 CB LYS A 33 -8.518 11.589 7.277 1.00 0.00 C ATOM 520 CG LYS A 33 -7.788 12.912 7.126 1.00 0.00 C ATOM 521 CD LYS A 33 -8.745 14.091 7.115 1.00 0.00 C ATOM 522 CE LYS A 33 -8.009 15.406 6.916 1.00 0.00 C ATOM 523 NZ LYS A 33 -7.004 15.652 7.984 1.00 0.00 N ATOM 0 H LYS A 33 -9.299 9.246 6.873 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.769 10.608 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.260 11.495 6.484 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.060 11.584 8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.077 13.029 7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.211 12.904 6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.477 13.959 6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.298 14.121 8.054 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.512 15.400 5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.728 16.225 6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.673 16.636 7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.438 15.484 8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.197 15.008 7.857 1.00 0.00 H new ATOM 537 N LYS A 34 -7.368 9.020 9.223 1.00 0.00 N ATOM 538 CA LYS A 34 -6.814 8.614 10.507 1.00 0.00 C ATOM 539 C LYS A 34 -6.059 7.301 10.364 1.00 0.00 C ATOM 540 O LYS A 34 -5.871 6.573 11.338 1.00 0.00 O ATOM 541 CB LYS A 34 -7.921 8.476 11.557 1.00 0.00 C ATOM 542 CG LYS A 34 -8.385 9.802 12.130 1.00 0.00 C ATOM 543 CD LYS A 34 -9.490 9.607 13.154 1.00 0.00 C ATOM 544 CE LYS A 34 -9.954 10.932 13.734 1.00 0.00 C ATOM 545 NZ LYS A 34 -11.009 10.747 14.762 1.00 0.00 N ATOM 0 H LYS A 34 -8.070 8.383 8.848 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.120 9.386 10.839 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.773 7.965 11.109 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.562 7.844 12.370 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.542 10.314 12.595 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.743 10.443 11.324 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.333 9.098 12.688 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.133 8.962 13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.104 11.453 14.176 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.335 11.566 12.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.299 11.674 15.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.830 10.273 14.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.638 10.164 15.539 1.00 0.00 H new ATOM 559 N TRP A 35 -5.627 7.016 9.137 1.00 0.00 N ATOM 560 CA TRP A 35 -4.919 5.776 8.814 1.00 0.00 C ATOM 561 C TRP A 35 -5.720 4.537 9.220 1.00 0.00 C ATOM 562 O TRP A 35 -5.152 3.526 9.635 1.00 0.00 O ATOM 563 CB TRP A 35 -3.539 5.758 9.479 1.00 0.00 C ATOM 564 CG TRP A 35 -2.587 6.775 8.920 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.395 8.050 9.368 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.696 6.601 7.810 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.442 8.679 8.604 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.996 7.810 7.644 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.423 5.540 6.941 1.00 0.00 C ATOM 570 CZ2 TRP A 35 -0.038 7.986 6.646 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.473 5.715 5.953 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.210 6.928 5.812 1.00 0.00 C ATOM 0 H TRP A 35 -5.757 7.637 8.338 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.794 5.746 7.732 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.658 5.934 10.548 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.104 4.765 9.366 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.916 8.499 10.201 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.119 9.638 8.731 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.946 4.600 7.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.489 8.922 6.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.254 4.901 5.278 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.948 7.032 5.030 1.00 0.00 H new ATOM 583 N GLU A 36 -7.034 4.613 9.079 1.00 0.00 N ATOM 584 CA GLU A 36 -7.909 3.502 9.418 1.00 0.00 C ATOM 585 C GLU A 36 -8.458 2.853 8.159 1.00 0.00 C ATOM 586 O GLU A 36 -9.271 3.441 7.448 1.00 0.00 O ATOM 587 CB GLU A 36 -9.056 3.969 10.312 1.00 0.00 C ATOM 588 CG GLU A 36 -8.625 4.279 11.734 1.00 0.00 C ATOM 589 CD GLU A 36 -8.240 3.033 12.507 1.00 0.00 C ATOM 590 OE1 GLU A 36 -9.118 2.452 13.179 1.00 0.00 O ATOM 591 OE2 GLU A 36 -7.066 2.618 12.442 1.00 0.00 O ATOM 0 H GLU A 36 -7.521 5.439 8.730 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.322 2.764 9.965 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.508 4.859 9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.827 3.198 10.334 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.779 4.966 11.713 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.436 4.789 12.253 1.00 0.00 H new ATOM 598 N PHE A 37 -8.001 1.643 7.888 1.00 0.00 N ATOM 599 CA PHE A 37 -8.410 0.922 6.692 1.00 0.00 C ATOM 600 C PHE A 37 -9.138 -0.369 7.063 1.00 0.00 C ATOM 601 O PHE A 37 -8.501 -1.405 7.258 1.00 0.00 O ATOM 602 CB PHE A 37 -7.184 0.588 5.826 1.00 0.00 C ATOM 603 CG PHE A 37 -6.300 1.770 5.535 1.00 0.00 C ATOM 604 CD1 PHE A 37 -6.422 2.479 4.348 1.00 0.00 C ATOM 605 CD2 PHE A 37 -5.347 2.176 6.456 1.00 0.00 C ATOM 606 CE1 PHE A 37 -5.610 3.567 4.090 1.00 0.00 C ATOM 607 CE2 PHE A 37 -4.532 3.261 6.201 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.663 3.957 5.017 1.00 0.00 C ATOM 0 H PHE A 37 -7.344 1.136 8.481 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.088 1.561 6.127 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.594 -0.178 6.329 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.524 0.161 4.883 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.159 2.177 3.619 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.241 1.636 7.385 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.716 4.112 3.164 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.793 3.564 6.928 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.026 4.806 4.815 1.00 0.00 H new ATOM 618 N PRO A 38 -10.475 -0.321 7.191 1.00 0.00 N ATOM 619 CA PRO A 38 -11.287 -1.515 7.464 1.00 0.00 C ATOM 620 C PRO A 38 -11.209 -2.541 6.340 1.00 0.00 C ATOM 621 O PRO A 38 -11.064 -2.189 5.165 1.00 0.00 O ATOM 622 CB PRO A 38 -12.714 -0.972 7.575 1.00 0.00 C ATOM 623 CG PRO A 38 -12.550 0.478 7.852 1.00 0.00 C ATOM 624 CD PRO A 38 -11.309 0.888 7.107 1.00 0.00 C ATOM 0 HA PRO A 38 -10.942 -2.034 8.358 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.273 -1.138 6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.264 -1.467 8.375 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.417 1.044 7.512 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.447 0.665 8.921 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.527 1.160 6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.824 1.749 7.568 1.00 0.00 H new ATOM 632 N GLU A 39 -11.303 -3.809 6.710 1.00 0.00 N ATOM 633 CA GLU A 39 -11.281 -4.893 5.738 1.00 0.00 C ATOM 634 C GLU A 39 -12.601 -4.970 4.978 1.00 0.00 C ATOM 635 O GLU A 39 -13.523 -5.698 5.352 1.00 0.00 O ATOM 636 CB GLU A 39 -10.970 -6.230 6.414 1.00 0.00 C ATOM 637 CG GLU A 39 -9.578 -6.284 7.017 1.00 0.00 C ATOM 638 CD GLU A 39 -9.236 -7.643 7.581 1.00 0.00 C ATOM 639 OE1 GLU A 39 -8.489 -8.391 6.920 1.00 0.00 O ATOM 640 OE2 GLU A 39 -9.708 -7.972 8.689 1.00 0.00 O ATOM 0 H GLU A 39 -11.396 -4.114 7.679 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.487 -4.682 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.706 -6.414 7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.074 -7.032 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.846 -6.018 6.254 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.500 -5.538 7.808 1.00 0.00 H new ATOM 647 N ASP A 40 -12.670 -4.203 3.909 1.00 0.00 N ATOM 648 CA ASP A 40 -13.855 -4.131 3.060 1.00 0.00 C ATOM 649 C ASP A 40 -13.415 -3.909 1.622 1.00 0.00 C ATOM 650 O ASP A 40 -12.426 -3.222 1.374 1.00 0.00 O ATOM 651 CB ASP A 40 -14.779 -2.992 3.518 1.00 0.00 C ATOM 652 CG ASP A 40 -16.028 -2.872 2.666 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.949 -2.298 1.565 1.00 0.00 O ATOM 654 OD2 ASP A 40 -17.099 -3.342 3.104 1.00 0.00 O ATOM 0 H ASP A 40 -11.904 -3.606 3.598 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.412 -5.065 3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.067 -3.159 4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.231 -2.050 3.486 1.00 0.00 H new ATOM 659 N ASP A 41 -14.160 -4.501 0.684 1.00 0.00 N ATOM 660 CA ASP A 41 -13.800 -4.483 -0.741 1.00 0.00 C ATOM 661 C ASP A 41 -13.656 -3.056 -1.260 1.00 0.00 C ATOM 662 O ASP A 41 -12.941 -2.813 -2.235 1.00 0.00 O ATOM 663 CB ASP A 41 -14.838 -5.230 -1.591 1.00 0.00 C ATOM 664 CG ASP A 41 -16.206 -4.574 -1.572 1.00 0.00 C ATOM 665 OD1 ASP A 41 -17.003 -4.885 -0.662 1.00 0.00 O ATOM 666 OD2 ASP A 41 -16.489 -3.748 -2.467 1.00 0.00 O ATOM 0 H ASP A 41 -15.024 -5.004 0.887 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.839 -4.991 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.483 -5.287 -2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.927 -6.254 -1.228 1.00 0.00 H new ATOM 671 N THR A 42 -14.355 -2.130 -0.617 1.00 0.00 N ATOM 672 CA THR A 42 -14.240 -0.717 -0.923 1.00 0.00 C ATOM 673 C THR A 42 -12.823 -0.221 -0.633 1.00 0.00 C ATOM 674 O THR A 42 -12.112 0.237 -1.531 1.00 0.00 O ATOM 675 CB THR A 42 -15.244 0.082 -0.077 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.554 -0.486 -0.211 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.270 1.536 -0.492 1.00 0.00 C ATOM 0 H THR A 42 -15.016 -2.341 0.130 1.00 0.00 H new ATOM 0 HA THR A 42 -14.456 -0.572 -1.982 1.00 0.00 H new ATOM 0 HB THR A 42 -14.929 0.030 0.965 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.638 -1.258 0.386 1.00 0.00 H new ATOM 0 HG21 THR A 42 -15.989 2.077 0.123 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.279 1.970 -0.359 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.561 1.610 -1.540 1.00 0.00 H new ATOM 685 N THR A 43 -12.424 -0.343 0.626 1.00 0.00 N ATOM 686 CA THR A 43 -11.099 0.059 1.077 1.00 0.00 C ATOM 687 C THR A 43 -9.998 -0.668 0.305 1.00 0.00 C ATOM 688 O THR A 43 -8.964 -0.085 -0.025 1.00 0.00 O ATOM 689 CB THR A 43 -10.940 -0.246 2.576 1.00 0.00 C ATOM 690 OG1 THR A 43 -12.029 0.330 3.309 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.621 0.295 3.106 1.00 0.00 C ATOM 0 H THR A 43 -13.013 -0.725 1.366 1.00 0.00 H new ATOM 0 HA THR A 43 -11.002 1.130 0.897 1.00 0.00 H new ATOM 0 HB THR A 43 -10.945 -1.328 2.706 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.463 1.018 2.763 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.534 0.066 4.168 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.795 -0.168 2.566 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.588 1.375 2.964 1.00 0.00 H new ATOM 699 N MET A 44 -10.240 -1.934 0.002 1.00 0.00 N ATOM 700 CA MET A 44 -9.230 -2.780 -0.614 1.00 0.00 C ATOM 701 C MET A 44 -8.878 -2.292 -2.009 1.00 0.00 C ATOM 702 O MET A 44 -7.704 -2.128 -2.342 1.00 0.00 O ATOM 703 CB MET A 44 -9.709 -4.230 -0.672 1.00 0.00 C ATOM 704 CG MET A 44 -9.995 -4.822 0.698 1.00 0.00 C ATOM 705 SD MET A 44 -10.579 -6.523 0.625 1.00 0.00 S ATOM 706 CE MET A 44 -10.774 -6.866 2.373 1.00 0.00 C ATOM 0 H MET A 44 -11.131 -2.400 0.174 1.00 0.00 H new ATOM 0 HA MET A 44 -8.332 -2.727 0.002 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.613 -4.283 -1.279 1.00 0.00 H new ATOM 0 HB3 MET A 44 -8.953 -4.836 -1.172 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.088 -4.781 1.301 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.742 -4.209 1.203 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.710 -7.941 2.542 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.986 -6.363 2.933 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.745 -6.503 2.709 1.00 0.00 H new ATOM 716 N CYS A 45 -9.890 -2.036 -2.823 1.00 0.00 N ATOM 717 CA CYS A 45 -9.645 -1.614 -4.190 1.00 0.00 C ATOM 718 C CYS A 45 -9.252 -0.143 -4.233 1.00 0.00 C ATOM 719 O CYS A 45 -8.640 0.314 -5.197 1.00 0.00 O ATOM 720 CB CYS A 45 -10.851 -1.888 -5.091 1.00 0.00 C ATOM 721 SG CYS A 45 -10.385 -2.616 -6.694 1.00 0.00 S ATOM 0 H CYS A 45 -10.874 -2.112 -2.565 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.814 -2.204 -4.576 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -11.537 -2.562 -4.577 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.389 -0.956 -5.263 1.00 0.00 H new ATOM 726 N TYR A 46 -9.597 0.594 -3.179 1.00 0.00 N ATOM 727 CA TYR A 46 -9.114 1.953 -3.009 1.00 0.00 C ATOM 728 C TYR A 46 -7.594 1.950 -2.945 1.00 0.00 C ATOM 729 O TYR A 46 -6.929 2.718 -3.642 1.00 0.00 O ATOM 730 CB TYR A 46 -9.716 2.565 -1.743 1.00 0.00 C ATOM 731 CG TYR A 46 -8.950 3.754 -1.200 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.899 4.960 -1.892 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.282 3.666 0.016 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.204 6.041 -1.382 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.585 4.741 0.528 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.549 5.925 -0.174 1.00 0.00 C ATOM 737 OH TYR A 46 -6.869 7.001 0.340 1.00 0.00 O ATOM 0 H TYR A 46 -10.210 0.268 -2.432 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.423 2.561 -3.860 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.740 2.873 -1.954 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.767 1.797 -0.971 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.409 5.053 -2.840 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.309 2.739 0.570 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.174 6.973 -1.928 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.071 4.654 1.474 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.465 6.753 1.198 1.00 0.00 H new ATOM 747 N ILE A 47 -7.059 1.058 -2.121 1.00 0.00 N ATOM 748 CA ILE A 47 -5.623 0.878 -2.010 1.00 0.00 C ATOM 749 C ILE A 47 -5.031 0.461 -3.353 1.00 0.00 C ATOM 750 O ILE A 47 -3.958 0.917 -3.733 1.00 0.00 O ATOM 751 CB ILE A 47 -5.274 -0.176 -0.934 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.705 0.317 0.458 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.785 -0.509 -0.961 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.088 1.641 0.869 1.00 0.00 C ATOM 0 H ILE A 47 -7.606 0.445 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.191 1.833 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.822 -1.091 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.791 0.414 0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.440 -0.439 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.565 -1.253 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.519 -0.907 -1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.207 0.394 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.444 1.916 1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.002 1.547 0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.374 2.413 0.155 1.00 0.00 H new ATOM 766 N LYS A 48 -5.756 -0.388 -4.077 1.00 0.00 N ATOM 767 CA LYS A 48 -5.309 -0.867 -5.376 1.00 0.00 C ATOM 768 C LYS A 48 -5.105 0.297 -6.341 1.00 0.00 C ATOM 769 O LYS A 48 -4.045 0.427 -6.948 1.00 0.00 O ATOM 770 CB LYS A 48 -6.328 -1.850 -5.956 1.00 0.00 C ATOM 771 CG LYS A 48 -5.863 -2.527 -7.237 1.00 0.00 C ATOM 772 CD LYS A 48 -6.889 -3.532 -7.731 1.00 0.00 C ATOM 773 CE LYS A 48 -6.469 -4.163 -9.046 1.00 0.00 C ATOM 774 NZ LYS A 48 -6.563 -3.218 -10.188 1.00 0.00 N ATOM 0 H LYS A 48 -6.659 -0.758 -3.782 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.356 -1.378 -5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.548 -2.614 -5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.260 -1.320 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.688 -1.775 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.912 -3.030 -7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.026 -4.311 -6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.852 -3.037 -7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.444 -4.524 -8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.097 -5.031 -9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.331 -3.716 -11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.530 -2.841 -10.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.894 -2.435 -10.046 1.00 0.00 H new ATOM 788 N CYS A 49 -6.127 1.138 -6.467 1.00 0.00 N ATOM 789 CA CYS A 49 -6.073 2.291 -7.362 1.00 0.00 C ATOM 790 C CYS A 49 -4.925 3.231 -6.996 1.00 0.00 C ATOM 791 O CYS A 49 -4.141 3.630 -7.858 1.00 0.00 O ATOM 792 CB CYS A 49 -7.405 3.046 -7.336 1.00 0.00 C ATOM 793 SG CYS A 49 -7.387 4.641 -8.227 1.00 0.00 S ATOM 0 H CYS A 49 -7.006 1.043 -5.959 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.892 1.921 -8.371 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.177 2.410 -7.769 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.686 3.227 -6.298 1.00 0.00 H new ATOM 798 N VAL A 50 -4.818 3.561 -5.712 1.00 0.00 N ATOM 799 CA VAL A 50 -3.804 4.488 -5.239 1.00 0.00 C ATOM 800 C VAL A 50 -2.406 3.937 -5.490 1.00 0.00 C ATOM 801 O VAL A 50 -1.541 4.618 -6.043 1.00 0.00 O ATOM 802 CB VAL A 50 -3.991 4.782 -3.738 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.857 5.630 -3.202 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.318 5.472 -3.503 1.00 0.00 C ATOM 0 H VAL A 50 -5.427 3.196 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.917 5.418 -5.795 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.984 3.832 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.016 5.821 -2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.913 5.103 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.825 6.577 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.439 5.675 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.343 6.411 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.128 4.828 -3.844 1.00 0.00 H new ATOM 814 N PHE A 51 -2.211 2.682 -5.119 1.00 0.00 N ATOM 815 CA PHE A 51 -0.928 2.015 -5.276 1.00 0.00 C ATOM 816 C PHE A 51 -0.575 1.861 -6.752 1.00 0.00 C ATOM 817 O PHE A 51 0.595 1.786 -7.124 1.00 0.00 O ATOM 818 CB PHE A 51 -0.972 0.648 -4.588 1.00 0.00 C ATOM 819 CG PHE A 51 -0.615 0.682 -3.129 1.00 0.00 C ATOM 820 CD1 PHE A 51 0.005 -0.403 -2.534 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.906 1.792 -2.349 1.00 0.00 C ATOM 822 CE1 PHE A 51 0.328 -0.385 -1.192 1.00 0.00 C ATOM 823 CE2 PHE A 51 -0.583 1.817 -1.007 1.00 0.00 C ATOM 824 CZ PHE A 51 0.034 0.727 -0.427 1.00 0.00 C ATOM 0 H PHE A 51 -2.935 2.098 -4.701 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.154 2.624 -4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.973 0.231 -4.696 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.288 -0.027 -5.102 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.239 -1.275 -3.127 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.391 2.647 -2.797 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.810 -1.240 -0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.813 2.688 -0.412 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.286 0.743 0.623 1.00 0.00 H new ATOM 834 N ASN A 52 -1.601 1.831 -7.588 1.00 0.00 N ATOM 835 CA ASN A 52 -1.426 1.679 -9.025 1.00 0.00 C ATOM 836 C ASN A 52 -0.961 2.992 -9.646 1.00 0.00 C ATOM 837 O ASN A 52 -0.045 3.013 -10.469 1.00 0.00 O ATOM 838 CB ASN A 52 -2.744 1.227 -9.667 1.00 0.00 C ATOM 839 CG ASN A 52 -2.644 1.015 -11.167 1.00 0.00 C ATOM 840 OD1 ASN A 52 -1.495 0.554 -11.637 1.00 0.00 O flip ATOM 841 ND2 ASN A 52 -3.608 1.243 -11.897 1.00 0.00 N flip ATOM 0 H ASN A 52 -2.574 1.911 -7.292 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.664 0.921 -9.208 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.068 0.298 -9.197 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.513 1.972 -9.464 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.477 1.598 -11.498 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.538 1.077 -12.901 1.00 0.00 H new ATOM 848 N LYS A 53 -1.572 4.089 -9.221 1.00 0.00 N ATOM 849 CA LYS A 53 -1.257 5.400 -9.772 1.00 0.00 C ATOM 850 C LYS A 53 0.079 5.906 -9.244 1.00 0.00 C ATOM 851 O LYS A 53 0.736 6.732 -9.874 1.00 0.00 O ATOM 852 CB LYS A 53 -2.371 6.402 -9.450 1.00 0.00 C ATOM 853 CG LYS A 53 -3.663 6.173 -10.232 1.00 0.00 C ATOM 854 CD LYS A 53 -4.509 7.436 -10.311 1.00 0.00 C ATOM 855 CE LYS A 53 -3.851 8.478 -11.201 1.00 0.00 C ATOM 856 NZ LYS A 53 -4.692 9.689 -11.370 1.00 0.00 N ATOM 0 H LYS A 53 -2.289 4.097 -8.496 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.181 5.300 -10.855 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.591 6.353 -8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.009 7.409 -9.655 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.422 5.833 -11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.239 5.379 -9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.497 7.192 -10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.652 7.845 -9.311 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.890 8.763 -10.773 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.647 8.041 -12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.530 10.095 -12.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.695 9.432 -11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.441 10.390 -10.644 1.00 0.00 H new ATOM 870 N MET A 54 0.476 5.399 -8.087 1.00 0.00 N ATOM 871 CA MET A 54 1.760 5.748 -7.493 1.00 0.00 C ATOM 872 C MET A 54 2.868 4.840 -8.017 1.00 0.00 C ATOM 873 O MET A 54 4.014 4.929 -7.578 1.00 0.00 O ATOM 874 CB MET A 54 1.673 5.658 -5.971 1.00 0.00 C ATOM 875 CG MET A 54 0.860 6.781 -5.359 1.00 0.00 C ATOM 876 SD MET A 54 0.394 6.467 -3.647 1.00 0.00 S ATOM 877 CE MET A 54 1.956 6.663 -2.801 1.00 0.00 C ATOM 0 H MET A 54 -0.075 4.740 -7.537 1.00 0.00 H new ATOM 0 HA MET A 54 2.003 6.773 -7.774 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.229 4.702 -5.693 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.680 5.675 -5.553 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.435 7.706 -5.409 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.042 6.933 -5.952 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.834 6.410 -1.748 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.698 6.002 -3.249 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.290 7.697 -2.889 1.00 0.00 H new ATOM 887 N GLN A 55 2.494 3.968 -8.962 1.00 0.00 N ATOM 888 CA GLN A 55 3.417 3.025 -9.594 1.00 0.00 C ATOM 889 C GLN A 55 4.125 2.147 -8.568 1.00 0.00 C ATOM 890 O GLN A 55 5.329 1.905 -8.653 1.00 0.00 O ATOM 891 CB GLN A 55 4.420 3.770 -10.468 1.00 0.00 C ATOM 892 CG GLN A 55 3.847 4.150 -11.817 1.00 0.00 C ATOM 893 CD GLN A 55 4.819 4.940 -12.666 1.00 0.00 C ATOM 894 OE1 GLN A 55 6.033 4.765 -12.574 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.292 5.822 -13.496 1.00 0.00 N ATOM 0 H GLN A 55 1.537 3.899 -9.309 1.00 0.00 H new ATOM 0 HA GLN A 55 2.831 2.360 -10.228 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.749 4.671 -9.950 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.302 3.147 -10.615 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.557 3.245 -12.351 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.941 4.737 -11.669 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.280 5.937 -13.542 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.897 6.388 -14.091 1.00 0.00 H new ATOM 904 N LEU A 56 3.355 1.659 -7.613 1.00 0.00 N ATOM 905 CA LEU A 56 3.893 0.876 -6.517 1.00 0.00 C ATOM 906 C LEU A 56 3.322 -0.538 -6.528 1.00 0.00 C ATOM 907 O LEU A 56 3.890 -1.462 -5.941 1.00 0.00 O ATOM 908 CB LEU A 56 3.590 1.589 -5.193 1.00 0.00 C ATOM 909 CG LEU A 56 4.739 2.441 -4.656 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.309 3.203 -3.411 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.951 1.578 -4.354 1.00 0.00 C ATOM 0 H LEU A 56 2.345 1.793 -7.575 1.00 0.00 H new ATOM 0 HA LEU A 56 4.973 0.787 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.715 2.225 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.327 0.842 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 56 5.012 3.164 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.142 3.803 -3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.471 3.856 -3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.005 2.496 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.758 2.204 -3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.688 0.830 -3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.279 1.079 -5.266 1.00 0.00 H new ATOM 923 N PHE A 57 2.204 -0.702 -7.225 1.00 0.00 N ATOM 924 CA PHE A 57 1.567 -2.001 -7.359 1.00 0.00 C ATOM 925 C PHE A 57 1.108 -2.197 -8.796 1.00 0.00 C ATOM 926 O PHE A 57 0.541 -1.288 -9.410 1.00 0.00 O ATOM 927 CB PHE A 57 0.376 -2.133 -6.394 1.00 0.00 C ATOM 928 CG PHE A 57 -0.410 -3.407 -6.556 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.562 -3.432 -7.330 1.00 0.00 C ATOM 930 CD2 PHE A 57 -0.001 -4.575 -5.934 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.288 -4.599 -7.479 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.724 -5.744 -6.080 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.867 -5.756 -6.854 1.00 0.00 C ATOM 0 H PHE A 57 1.720 0.055 -7.708 1.00 0.00 H new ATOM 0 HA PHE A 57 2.292 -2.774 -7.103 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.744 -2.074 -5.370 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.293 -1.285 -6.542 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.895 -2.530 -7.821 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.893 -4.572 -5.328 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.183 -4.606 -8.083 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.395 -6.648 -5.589 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.431 -6.669 -6.971 1.00 0.00 H new ATOM 943 N ASP A 58 1.383 -3.370 -9.333 1.00 0.00 N ATOM 944 CA ASP A 58 0.962 -3.715 -10.677 1.00 0.00 C ATOM 945 C ASP A 58 -0.081 -4.817 -10.602 1.00 0.00 C ATOM 946 O ASP A 58 0.055 -5.761 -9.827 1.00 0.00 O ATOM 947 CB ASP A 58 2.162 -4.164 -11.521 1.00 0.00 C ATOM 948 CG ASP A 58 1.765 -4.504 -12.942 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.596 -3.570 -13.751 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.619 -5.704 -13.254 1.00 0.00 O ATOM 0 H ASP A 58 1.901 -4.106 -8.854 1.00 0.00 H new ATOM 0 HA ASP A 58 0.528 -2.838 -11.156 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.911 -3.373 -11.534 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.626 -5.034 -11.057 1.00 0.00 H new ATOM 955 N ASP A 59 -1.126 -4.679 -11.403 1.00 0.00 N ATOM 956 CA ASP A 59 -2.266 -5.592 -11.364 1.00 0.00 C ATOM 957 C ASP A 59 -1.853 -6.998 -11.789 1.00 0.00 C ATOM 958 O ASP A 59 -2.489 -7.982 -11.419 1.00 0.00 O ATOM 959 CB ASP A 59 -3.384 -5.069 -12.273 1.00 0.00 C ATOM 960 CG ASP A 59 -4.622 -5.943 -12.267 1.00 0.00 C ATOM 961 OD1 ASP A 59 -4.720 -6.852 -13.118 1.00 0.00 O ATOM 962 OD2 ASP A 59 -5.519 -5.708 -11.436 1.00 0.00 O ATOM 0 H ASP A 59 -1.211 -3.936 -12.097 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.633 -5.643 -10.339 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.657 -4.062 -11.958 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.007 -4.992 -13.293 1.00 0.00 H new ATOM 967 N THR A 60 -0.781 -7.083 -12.558 1.00 0.00 N ATOM 968 CA THR A 60 -0.287 -8.356 -13.045 1.00 0.00 C ATOM 969 C THR A 60 0.830 -8.915 -12.152 1.00 0.00 C ATOM 970 O THR A 60 0.668 -9.966 -11.527 1.00 0.00 O ATOM 971 CB THR A 60 0.221 -8.208 -14.491 1.00 0.00 C ATOM 972 OG1 THR A 60 -0.878 -7.922 -15.367 1.00 0.00 O ATOM 973 CG2 THR A 60 0.945 -9.456 -14.957 1.00 0.00 C ATOM 0 H THR A 60 -0.233 -6.277 -12.860 1.00 0.00 H new ATOM 0 HA THR A 60 -1.117 -9.062 -13.020 1.00 0.00 H new ATOM 0 HB THR A 60 0.931 -7.382 -14.515 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.548 -7.827 -16.285 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.290 -9.316 -15.982 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.801 -9.643 -14.309 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.266 -10.307 -14.916 1.00 0.00 H new ATOM 981 N GLU A 61 1.955 -8.205 -12.089 1.00 0.00 N ATOM 982 CA GLU A 61 3.131 -8.683 -11.369 1.00 0.00 C ATOM 983 C GLU A 61 2.975 -8.546 -9.853 1.00 0.00 C ATOM 984 O GLU A 61 3.753 -9.126 -9.093 1.00 0.00 O ATOM 985 CB GLU A 61 4.373 -7.920 -11.818 1.00 0.00 C ATOM 986 CG GLU A 61 4.443 -7.697 -13.314 1.00 0.00 C ATOM 987 CD GLU A 61 5.708 -6.980 -13.736 1.00 0.00 C ATOM 988 OE1 GLU A 61 6.702 -7.660 -14.079 1.00 0.00 O ATOM 989 OE2 GLU A 61 5.719 -5.732 -13.730 1.00 0.00 O ATOM 0 H GLU A 61 2.076 -7.293 -12.530 1.00 0.00 H new ATOM 0 HA GLU A 61 3.239 -9.742 -11.603 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.397 -6.954 -11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.260 -8.468 -11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.387 -8.659 -13.824 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.577 -7.117 -13.632 1.00 0.00 H new ATOM 996 N GLY A 62 1.982 -7.786 -9.417 1.00 0.00 N ATOM 997 CA GLY A 62 1.779 -7.578 -7.995 1.00 0.00 C ATOM 998 C GLY A 62 2.616 -6.432 -7.459 1.00 0.00 C ATOM 999 O GLY A 62 2.884 -5.473 -8.181 1.00 0.00 O ATOM 0 H GLY A 62 1.312 -7.309 -10.021 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.725 -7.375 -7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.030 -8.492 -7.456 1.00 0.00 H new ATOM 1003 N PRO A 63 3.046 -6.500 -6.188 1.00 0.00 N ATOM 1004 CA PRO A 63 3.856 -5.442 -5.573 1.00 0.00 C ATOM 1005 C PRO A 63 5.243 -5.350 -6.198 1.00 0.00 C ATOM 1006 O PRO A 63 5.983 -6.337 -6.241 1.00 0.00 O ATOM 1007 CB PRO A 63 3.944 -5.867 -4.100 1.00 0.00 C ATOM 1008 CG PRO A 63 3.709 -7.332 -4.106 1.00 0.00 C ATOM 1009 CD PRO A 63 2.781 -7.611 -5.252 1.00 0.00 C ATOM 0 HA PRO A 63 3.418 -4.453 -5.710 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.920 -5.626 -3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.198 -5.351 -3.495 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.647 -7.875 -4.225 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.270 -7.658 -3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.987 -8.579 -5.709 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.739 -7.626 -4.931 1.00 0.00 H new ATOM 1017 N LEU A 64 5.592 -4.168 -6.693 1.00 0.00 N ATOM 1018 CA LEU A 64 6.905 -3.966 -7.299 1.00 0.00 C ATOM 1019 C LEU A 64 7.914 -3.676 -6.205 1.00 0.00 C ATOM 1020 O LEU A 64 8.047 -2.542 -5.749 1.00 0.00 O ATOM 1021 CB LEU A 64 6.927 -2.821 -8.332 1.00 0.00 C ATOM 1022 CG LEU A 64 5.928 -2.914 -9.491 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.884 -4.320 -10.059 1.00 0.00 C ATOM 1024 CD2 LEU A 64 4.548 -2.452 -9.074 1.00 0.00 C ATOM 0 H LEU A 64 4.993 -3.343 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 64 7.157 -4.881 -7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.748 -1.884 -7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.931 -2.763 -8.753 1.00 0.00 H new ATOM 0 HG LEU A 64 6.274 -2.243 -10.277 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.168 -4.359 -10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.873 -4.595 -10.427 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.580 -5.018 -9.279 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.866 -2.532 -9.921 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.187 -3.077 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.596 -1.414 -8.743 1.00 0.00 H new ATOM 1036 N VAL A 65 8.609 -4.731 -5.796 1.00 0.00 N ATOM 1037 CA VAL A 65 9.545 -4.693 -4.679 1.00 0.00 C ATOM 1038 C VAL A 65 10.540 -3.542 -4.782 1.00 0.00 C ATOM 1039 O VAL A 65 10.757 -2.828 -3.811 1.00 0.00 O ATOM 1040 CB VAL A 65 10.315 -6.021 -4.570 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.376 -5.955 -3.480 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.350 -7.161 -4.308 1.00 0.00 C ATOM 0 H VAL A 65 8.537 -5.648 -6.236 1.00 0.00 H new ATOM 0 HA VAL A 65 8.945 -4.535 -3.783 1.00 0.00 H new ATOM 0 HB VAL A 65 10.824 -6.200 -5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.903 -6.908 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.085 -5.160 -3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.900 -5.750 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.904 -8.097 -4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.816 -6.979 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.635 -7.228 -5.128 1.00 0.00 H new ATOM 1052 N ASP A 66 11.136 -3.362 -5.953 1.00 0.00 N ATOM 1053 CA ASP A 66 12.138 -2.317 -6.140 1.00 0.00 C ATOM 1054 C ASP A 66 11.552 -0.933 -5.878 1.00 0.00 C ATOM 1055 O ASP A 66 12.097 -0.159 -5.090 1.00 0.00 O ATOM 1056 CB ASP A 66 12.722 -2.382 -7.546 1.00 0.00 C ATOM 1057 CG ASP A 66 13.766 -1.307 -7.784 1.00 0.00 C ATOM 1058 OD1 ASP A 66 13.477 -0.341 -8.522 1.00 0.00 O ATOM 1059 OD2 ASP A 66 14.878 -1.416 -7.227 1.00 0.00 O ATOM 0 H ASP A 66 10.946 -3.922 -6.784 1.00 0.00 H new ATOM 0 HA ASP A 66 12.935 -2.490 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.170 -3.363 -7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.920 -2.275 -8.276 1.00 0.00 H new ATOM 1064 N ASN A 67 10.431 -0.632 -6.527 1.00 0.00 N ATOM 1065 CA ASN A 67 9.745 0.644 -6.341 1.00 0.00 C ATOM 1066 C ASN A 67 9.358 0.818 -4.881 1.00 0.00 C ATOM 1067 O ASN A 67 9.438 1.913 -4.326 1.00 0.00 O ATOM 1068 CB ASN A 67 8.488 0.713 -7.215 1.00 0.00 C ATOM 1069 CG ASN A 67 8.781 0.642 -8.703 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.789 0.076 -9.128 1.00 0.00 O ATOM 1071 ND2 ASN A 67 7.887 1.191 -9.507 1.00 0.00 N ATOM 0 H ASN A 67 9.976 -1.259 -7.191 1.00 0.00 H new ATOM 0 HA ASN A 67 10.423 1.445 -6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.821 -0.106 -6.944 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.957 1.640 -7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.020 1.155 -10.518 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.065 1.651 -9.117 1.00 0.00 H new ATOM 1078 N LEU A 68 8.962 -0.289 -4.268 1.00 0.00 N ATOM 1079 CA LEU A 68 8.553 -0.312 -2.873 1.00 0.00 C ATOM 1080 C LEU A 68 9.705 0.077 -1.955 1.00 0.00 C ATOM 1081 O LEU A 68 9.531 0.855 -1.026 1.00 0.00 O ATOM 1082 CB LEU A 68 8.012 -1.699 -2.519 1.00 0.00 C ATOM 1083 CG LEU A 68 6.566 -1.936 -2.948 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.251 -3.420 -2.975 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.617 -1.216 -2.010 1.00 0.00 C ATOM 0 H LEU A 68 8.916 -1.199 -4.727 1.00 0.00 H new ATOM 0 HA LEU A 68 7.761 0.423 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.646 -2.453 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.087 -1.842 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 68 6.436 -1.539 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.216 -3.567 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.914 -3.920 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.397 -3.841 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.589 -1.393 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.754 -1.591 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.825 -0.146 -2.033 1.00 0.00 H new ATOM 1097 N VAL A 69 10.880 -0.457 -2.235 1.00 0.00 N ATOM 1098 CA VAL A 69 12.073 -0.133 -1.474 1.00 0.00 C ATOM 1099 C VAL A 69 12.513 1.303 -1.731 1.00 0.00 C ATOM 1100 O VAL A 69 12.849 2.030 -0.803 1.00 0.00 O ATOM 1101 CB VAL A 69 13.215 -1.094 -1.822 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.469 -0.734 -1.055 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.809 -2.523 -1.527 1.00 0.00 C ATOM 0 H VAL A 69 11.034 -1.124 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 69 11.829 -0.239 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 69 13.427 -1.004 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.267 -1.428 -1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.773 0.281 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.271 -0.795 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.630 -3.194 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.571 -2.622 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.933 -2.782 -2.121 1.00 0.00 H new ATOM 1113 N HIS A 70 12.478 1.719 -2.989 1.00 0.00 N ATOM 1114 CA HIS A 70 12.906 3.068 -3.356 1.00 0.00 C ATOM 1115 C HIS A 70 12.003 4.128 -2.733 1.00 0.00 C ATOM 1116 O HIS A 70 12.417 5.266 -2.528 1.00 0.00 O ATOM 1117 CB HIS A 70 12.941 3.241 -4.876 1.00 0.00 C ATOM 1118 CG HIS A 70 14.166 2.662 -5.519 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.535 1.380 -5.739 1.00 0.00 N flip ATOM 1120 CD2 HIS A 70 15.179 3.438 -6.037 1.00 0.00 C flip ATOM 1121 CE1 HIS A 70 15.746 1.402 -6.378 1.00 0.00 C flip ATOM 1122 NE2 HIS A 70 16.114 2.656 -6.546 1.00 0.00 N flip ATOM 0 H HIS A 70 12.160 1.148 -3.772 1.00 0.00 H new ATOM 0 HA HIS A 70 13.915 3.202 -2.965 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.058 2.770 -5.307 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.884 4.303 -5.114 1.00 0.00 H new ATOM 0 HD1 HIS A 70 14.007 0.548 -5.477 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.205 4.518 -6.028 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.307 0.534 -6.692 1.00 0.00 H new ATOM 1131 N GLN A 71 10.770 3.750 -2.443 1.00 0.00 N ATOM 1132 CA GLN A 71 9.821 4.661 -1.819 1.00 0.00 C ATOM 1133 C GLN A 71 9.882 4.561 -0.295 1.00 0.00 C ATOM 1134 O GLN A 71 10.106 5.556 0.394 1.00 0.00 O ATOM 1135 CB GLN A 71 8.402 4.351 -2.299 1.00 0.00 C ATOM 1136 CG GLN A 71 7.407 5.472 -2.027 1.00 0.00 C ATOM 1137 CD GLN A 71 7.784 6.780 -2.697 1.00 0.00 C ATOM 1138 OE1 GLN A 71 7.413 7.043 -3.842 1.00 0.00 O ATOM 1139 NE2 GLN A 71 8.505 7.620 -1.974 1.00 0.00 N ATOM 0 H GLN A 71 10.401 2.818 -2.629 1.00 0.00 H new ATOM 0 HA GLN A 71 10.089 5.677 -2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.426 4.150 -3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.053 3.441 -1.811 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.420 5.165 -2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.333 5.630 -0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.792 7.363 -1.029 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.774 8.525 -2.361 1.00 0.00 H new ATOM 1148 N LEU A 72 9.662 3.357 0.222 1.00 0.00 N ATOM 1149 CA LEU A 72 9.581 3.127 1.666 1.00 0.00 C ATOM 1150 C LEU A 72 10.891 3.428 2.385 1.00 0.00 C ATOM 1151 O LEU A 72 10.889 4.069 3.433 1.00 0.00 O ATOM 1152 CB LEU A 72 9.158 1.688 1.965 1.00 0.00 C ATOM 1153 CG LEU A 72 7.707 1.353 1.625 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.443 -0.130 1.830 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.752 2.176 2.475 1.00 0.00 C ATOM 0 H LEU A 72 9.535 2.516 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 72 8.828 3.819 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.810 1.012 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.321 1.491 3.025 1.00 0.00 H new ATOM 0 HG LEU A 72 7.538 1.599 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.405 -0.352 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.102 -0.710 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.633 -0.393 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.724 1.922 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.925 1.960 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.921 3.237 2.289 1.00 0.00 H new ATOM 1167 N ALA A 73 12.004 2.972 1.819 1.00 0.00 N ATOM 1168 CA ALA A 73 13.322 3.148 2.427 1.00 0.00 C ATOM 1169 C ALA A 73 13.819 4.594 2.337 1.00 0.00 C ATOM 1170 O ALA A 73 15.018 4.841 2.180 1.00 0.00 O ATOM 1171 CB ALA A 73 14.315 2.200 1.785 1.00 0.00 C ATOM 0 H ALA A 73 12.020 2.472 0.930 1.00 0.00 H new ATOM 0 HA ALA A 73 13.230 2.914 3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.295 2.336 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.985 1.172 1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.380 2.410 0.717 1.00 0.00 H new ATOM 1177 N HIS A 74 12.889 5.536 2.431 1.00 0.00 N ATOM 1178 CA HIS A 74 13.192 6.961 2.350 1.00 0.00 C ATOM 1179 C HIS A 74 14.040 7.392 3.547 1.00 0.00 C ATOM 1180 O HIS A 74 13.515 7.762 4.601 1.00 0.00 O ATOM 1181 CB HIS A 74 11.886 7.769 2.298 1.00 0.00 C ATOM 1182 CG HIS A 74 12.066 9.223 1.981 1.00 0.00 C ATOM 1183 ND1 HIS A 74 11.867 9.744 0.721 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.399 10.274 2.767 1.00 0.00 C ATOM 1185 CE1 HIS A 74 12.071 11.045 0.746 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.396 11.395 1.976 1.00 0.00 N ATOM 0 H HIS A 74 11.899 5.333 2.566 1.00 0.00 H new ATOM 0 HA HIS A 74 13.761 7.152 1.440 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.229 7.326 1.550 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.380 7.680 3.259 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.625 10.237 3.822 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.986 11.713 -0.098 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.610 12.343 2.287 1.00 0.00 H new ATOM 1195 N GLY A 75 15.352 7.326 3.379 1.00 0.00 N ATOM 1196 CA GLY A 75 16.259 7.693 4.444 1.00 0.00 C ATOM 1197 C GLY A 75 16.507 6.550 5.409 1.00 0.00 C ATOM 1198 O GLY A 75 16.777 6.776 6.586 1.00 0.00 O ATOM 0 H GLY A 75 15.806 7.023 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.208 8.016 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.850 8.544 4.989 1.00 0.00 H new ATOM 1202 N ARG A 76 16.414 5.322 4.912 1.00 0.00 N ATOM 1203 CA ARG A 76 16.623 4.139 5.742 1.00 0.00 C ATOM 1204 C ARG A 76 17.246 3.009 4.938 1.00 0.00 C ATOM 1205 O ARG A 76 17.287 3.063 3.706 1.00 0.00 O ATOM 1206 CB ARG A 76 15.306 3.674 6.371 1.00 0.00 C ATOM 1207 CG ARG A 76 15.099 4.187 7.786 1.00 0.00 C ATOM 1208 CD ARG A 76 13.904 3.532 8.452 1.00 0.00 C ATOM 1209 NE ARG A 76 13.774 3.925 9.854 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.886 3.400 10.697 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.059 2.444 10.290 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.827 3.831 11.951 1.00 0.00 N ATOM 0 H ARG A 76 16.195 5.118 3.937 1.00 0.00 H new ATOM 0 HA ARG A 76 17.312 4.414 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.477 4.007 5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.281 2.584 6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.995 3.996 8.377 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.956 5.267 7.764 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.996 3.803 7.914 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.002 2.448 8.387 1.00 0.00 H new ATOM 0 HE ARG A 76 14.402 4.646 10.209 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.102 2.108 9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.381 2.045 10.940 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.461 4.564 12.269 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.147 3.429 12.597 1.00 0.00 H new ATOM 1226 N ASP A 77 17.732 1.993 5.651 1.00 0.00 N ATOM 1227 CA ASP A 77 18.375 0.835 5.037 1.00 0.00 C ATOM 1228 C ASP A 77 17.437 0.127 4.081 1.00 0.00 C ATOM 1229 O ASP A 77 16.522 -0.585 4.498 1.00 0.00 O ATOM 1230 CB ASP A 77 18.849 -0.157 6.100 1.00 0.00 C ATOM 1231 CG ASP A 77 19.928 0.409 6.997 1.00 0.00 C ATOM 1232 OD1 ASP A 77 21.107 0.401 6.591 1.00 0.00 O ATOM 1233 OD2 ASP A 77 19.603 0.854 8.119 1.00 0.00 O ATOM 0 H ASP A 77 17.690 1.951 6.669 1.00 0.00 H new ATOM 0 HA ASP A 77 19.236 1.206 4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.999 -0.461 6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.226 -1.054 5.609 1.00 0.00 H new ATOM 1238 N ALA A 78 17.687 0.322 2.799 1.00 0.00 N ATOM 1239 CA ALA A 78 16.915 -0.317 1.747 1.00 0.00 C ATOM 1240 C ALA A 78 17.007 -1.832 1.854 1.00 0.00 C ATOM 1241 O ALA A 78 16.075 -2.552 1.499 1.00 0.00 O ATOM 1242 CB ALA A 78 17.424 0.144 0.400 1.00 0.00 C ATOM 0 H ALA A 78 18.432 0.929 2.457 1.00 0.00 H new ATOM 0 HA ALA A 78 15.868 -0.034 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.846 -0.334 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.319 1.226 0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.475 -0.127 0.296 1.00 0.00 H new ATOM 1248 N GLU A 79 18.142 -2.298 2.361 1.00 0.00 N ATOM 1249 CA GLU A 79 18.392 -3.722 2.546 1.00 0.00 C ATOM 1250 C GLU A 79 17.325 -4.356 3.436 1.00 0.00 C ATOM 1251 O GLU A 79 16.763 -5.399 3.099 1.00 0.00 O ATOM 1252 CB GLU A 79 19.778 -3.939 3.147 1.00 0.00 C ATOM 1253 CG GLU A 79 20.909 -3.561 2.208 1.00 0.00 C ATOM 1254 CD GLU A 79 22.273 -3.779 2.823 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.779 -2.858 3.500 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.850 -4.869 2.628 1.00 0.00 O ATOM 0 H GLU A 79 18.914 -1.700 2.655 1.00 0.00 H new ATOM 0 HA GLU A 79 18.348 -4.204 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.865 -3.353 4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.884 -4.987 3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.829 -4.149 1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.806 -2.514 1.924 1.00 0.00 H new ATOM 1263 N GLU A 80 17.037 -3.708 4.559 1.00 0.00 N ATOM 1264 CA GLU A 80 16.018 -4.191 5.478 1.00 0.00 C ATOM 1265 C GLU A 80 14.637 -4.075 4.855 1.00 0.00 C ATOM 1266 O GLU A 80 13.854 -5.026 4.863 1.00 0.00 O ATOM 1267 CB GLU A 80 16.051 -3.400 6.777 1.00 0.00 C ATOM 1268 CG GLU A 80 17.246 -3.702 7.651 1.00 0.00 C ATOM 1269 CD GLU A 80 17.102 -3.096 9.027 1.00 0.00 C ATOM 1270 OE1 GLU A 80 16.481 -3.740 9.900 1.00 0.00 O ATOM 1271 OE2 GLU A 80 17.585 -1.965 9.239 1.00 0.00 O ATOM 0 H GLU A 80 17.496 -2.846 4.854 1.00 0.00 H new ATOM 0 HA GLU A 80 16.229 -5.239 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.045 -2.336 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.141 -3.607 7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.368 -4.782 7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.149 -3.318 7.177 1.00 0.00 H new ATOM 1278 N VAL A 81 14.362 -2.897 4.310 1.00 0.00 N ATOM 1279 CA VAL A 81 13.075 -2.591 3.707 1.00 0.00 C ATOM 1280 C VAL A 81 12.700 -3.617 2.636 1.00 0.00 C ATOM 1281 O VAL A 81 11.577 -4.110 2.614 1.00 0.00 O ATOM 1282 CB VAL A 81 13.091 -1.173 3.110 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.781 -0.843 2.420 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.385 -0.166 4.203 1.00 0.00 C ATOM 0 H VAL A 81 15.029 -2.126 4.275 1.00 0.00 H new ATOM 0 HA VAL A 81 12.318 -2.638 4.490 1.00 0.00 H new ATOM 0 HB VAL A 81 13.876 -1.128 2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.829 0.166 2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.606 -1.554 1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.965 -0.904 3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.396 0.838 3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.614 -0.227 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.357 -0.383 4.646 1.00 0.00 H new ATOM 1294 N ARG A 82 13.655 -3.942 1.769 1.00 0.00 N ATOM 1295 CA ARG A 82 13.458 -4.950 0.734 1.00 0.00 C ATOM 1296 C ARG A 82 12.986 -6.272 1.330 1.00 0.00 C ATOM 1297 O ARG A 82 12.026 -6.873 0.852 1.00 0.00 O ATOM 1298 CB ARG A 82 14.763 -5.161 -0.025 1.00 0.00 C ATOM 1299 CG ARG A 82 14.618 -6.063 -1.232 1.00 0.00 C ATOM 1300 CD ARG A 82 15.963 -6.323 -1.880 1.00 0.00 C ATOM 1301 NE ARG A 82 15.845 -7.114 -3.101 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.881 -7.639 -3.753 1.00 0.00 C ATOM 1303 NH1 ARG A 82 18.119 -7.457 -3.300 1.00 0.00 N ATOM 1304 NH2 ARG A 82 16.680 -8.343 -4.860 1.00 0.00 N ATOM 0 H ARG A 82 14.582 -3.516 1.764 1.00 0.00 H new ATOM 0 HA ARG A 82 12.686 -4.594 0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.147 -4.193 -0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.503 -5.588 0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.166 -7.008 -0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.945 -5.603 -1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.443 -5.372 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.610 -6.843 -1.174 1.00 0.00 H new ATOM 0 HE ARG A 82 14.911 -7.275 -3.478 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.277 -6.914 -2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.910 -7.860 -3.802 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.732 -8.482 -5.211 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.473 -8.745 -5.360 1.00 0.00 H new ATOM 1318 N THR A 83 13.650 -6.698 2.394 1.00 0.00 N ATOM 1319 CA THR A 83 13.349 -7.970 3.029 1.00 0.00 C ATOM 1320 C THR A 83 11.955 -7.955 3.663 1.00 0.00 C ATOM 1321 O THR A 83 11.126 -8.827 3.390 1.00 0.00 O ATOM 1322 CB THR A 83 14.412 -8.293 4.096 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.660 -8.604 3.461 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.984 -9.444 4.988 1.00 0.00 C ATOM 0 H THR A 83 14.406 -6.176 2.838 1.00 0.00 H new ATOM 0 HA THR A 83 13.364 -8.744 2.262 1.00 0.00 H new ATOM 0 HB THR A 83 14.529 -7.412 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.333 -8.807 4.144 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.761 -9.640 5.727 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.056 -9.184 5.498 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.827 -10.336 4.381 1.00 0.00 H new ATOM 1332 N GLU A 84 11.705 -6.954 4.502 1.00 0.00 N ATOM 1333 CA GLU A 84 10.428 -6.823 5.192 1.00 0.00 C ATOM 1334 C GLU A 84 9.258 -6.689 4.208 1.00 0.00 C ATOM 1335 O GLU A 84 8.151 -7.155 4.489 1.00 0.00 O ATOM 1336 CB GLU A 84 10.475 -5.634 6.156 1.00 0.00 C ATOM 1337 CG GLU A 84 11.618 -5.732 7.156 1.00 0.00 C ATOM 1338 CD GLU A 84 11.573 -4.673 8.243 1.00 0.00 C ATOM 1339 OE1 GLU A 84 10.643 -4.715 9.077 1.00 0.00 O ATOM 1340 OE2 GLU A 84 12.492 -3.822 8.297 1.00 0.00 O ATOM 0 H GLU A 84 12.376 -6.217 4.721 1.00 0.00 H new ATOM 0 HA GLU A 84 10.258 -7.735 5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.577 -4.712 5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.530 -5.572 6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.598 -6.718 7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.564 -5.651 6.621 1.00 0.00 H new ATOM 1347 N VAL A 85 9.499 -6.053 3.061 1.00 0.00 N ATOM 1348 CA VAL A 85 8.503 -5.990 1.996 1.00 0.00 C ATOM 1349 C VAL A 85 8.217 -7.383 1.434 1.00 0.00 C ATOM 1350 O VAL A 85 7.061 -7.795 1.337 1.00 0.00 O ATOM 1351 CB VAL A 85 8.961 -5.068 0.846 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.132 -5.302 -0.405 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.875 -3.614 1.271 1.00 0.00 C ATOM 0 H VAL A 85 10.375 -5.575 2.848 1.00 0.00 H new ATOM 0 HA VAL A 85 7.594 -5.580 2.436 1.00 0.00 H new ATOM 0 HB VAL A 85 9.999 -5.307 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.476 -4.639 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.241 -6.338 -0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.083 -5.097 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.201 -2.975 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.845 -3.372 1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.517 -3.449 2.136 1.00 0.00 H new ATOM 1363 N LEU A 86 9.279 -8.100 1.074 1.00 0.00 N ATOM 1364 CA LEU A 86 9.163 -9.436 0.495 1.00 0.00 C ATOM 1365 C LEU A 86 8.388 -10.383 1.406 1.00 0.00 C ATOM 1366 O LEU A 86 7.683 -11.275 0.933 1.00 0.00 O ATOM 1367 CB LEU A 86 10.550 -10.012 0.222 1.00 0.00 C ATOM 1368 CG LEU A 86 11.303 -9.365 -0.930 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.771 -9.746 -0.877 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.694 -9.784 -2.254 1.00 0.00 C ATOM 0 H LEU A 86 10.240 -7.773 1.175 1.00 0.00 H new ATOM 0 HA LEU A 86 8.612 -9.340 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.150 -9.917 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.450 -11.078 0.017 1.00 0.00 H new ATOM 0 HG LEU A 86 11.223 -8.282 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.299 -9.276 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.201 -9.407 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.869 -10.829 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.242 -9.314 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.752 -10.868 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.650 -9.471 -2.290 1.00 0.00 H new ATOM 1382 N LYS A 87 8.508 -10.174 2.711 1.00 0.00 N ATOM 1383 CA LYS A 87 7.814 -11.010 3.690 1.00 0.00 C ATOM 1384 C LYS A 87 6.321 -10.700 3.711 1.00 0.00 C ATOM 1385 O LYS A 87 5.540 -11.388 4.363 1.00 0.00 O ATOM 1386 CB LYS A 87 8.413 -10.811 5.083 1.00 0.00 C ATOM 1387 CG LYS A 87 9.821 -11.361 5.217 1.00 0.00 C ATOM 1388 CD LYS A 87 10.390 -11.122 6.602 1.00 0.00 C ATOM 1389 CE LYS A 87 11.771 -11.741 6.751 1.00 0.00 C ATOM 1390 NZ LYS A 87 11.752 -13.211 6.517 1.00 0.00 N ATOM 0 H LYS A 87 9.079 -9.433 3.119 1.00 0.00 H new ATOM 0 HA LYS A 87 7.944 -12.052 3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.423 -9.747 5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.770 -11.294 5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.815 -12.430 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.466 -10.893 4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.448 -10.050 6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.719 -11.543 7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.457 -11.271 6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.153 -11.538 7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.621 -13.635 6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.925 -13.627 6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.696 -13.399 5.496 1.00 0.00 H new ATOM 1404 N CYS A 88 5.937 -9.658 2.995 1.00 0.00 N ATOM 1405 CA CYS A 88 4.537 -9.279 2.877 1.00 0.00 C ATOM 1406 C CYS A 88 4.032 -9.519 1.460 1.00 0.00 C ATOM 1407 O CYS A 88 2.827 -9.478 1.200 1.00 0.00 O ATOM 1408 CB CYS A 88 4.354 -7.818 3.277 1.00 0.00 C ATOM 1409 SG CYS A 88 4.270 -7.563 5.078 1.00 0.00 S ATOM 0 H CYS A 88 6.579 -9.054 2.482 1.00 0.00 H new ATOM 0 HA CYS A 88 3.949 -9.900 3.553 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.180 -7.233 2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.440 -7.436 2.821 1.00 0.00 H new ATOM 1414 N VAL A 89 4.964 -9.764 0.543 1.00 0.00 N ATOM 1415 CA VAL A 89 4.620 -10.090 -0.827 1.00 0.00 C ATOM 1416 C VAL A 89 4.132 -11.529 -0.913 1.00 0.00 C ATOM 1417 O VAL A 89 4.915 -12.474 -0.798 1.00 0.00 O ATOM 1418 CB VAL A 89 5.819 -9.898 -1.776 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.446 -10.310 -3.188 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.305 -8.456 -1.759 1.00 0.00 C ATOM 0 H VAL A 89 5.966 -9.741 0.731 1.00 0.00 H new ATOM 0 HA VAL A 89 3.827 -9.410 -1.138 1.00 0.00 H new ATOM 0 HB VAL A 89 6.632 -10.534 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.303 -10.169 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.152 -11.360 -3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.615 -9.698 -3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.151 -8.349 -2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.498 -7.796 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.614 -8.188 -0.749 1.00 0.00 H new ATOM 1430 N ASP A 90 2.834 -11.686 -1.092 1.00 0.00 N ATOM 1431 CA ASP A 90 2.228 -13.005 -1.173 1.00 0.00 C ATOM 1432 C ASP A 90 1.487 -13.183 -2.488 1.00 0.00 C ATOM 1433 O ASP A 90 1.397 -12.256 -3.298 1.00 0.00 O ATOM 1434 CB ASP A 90 1.267 -13.245 -0.003 1.00 0.00 C ATOM 1435 CG ASP A 90 1.984 -13.552 1.298 1.00 0.00 C ATOM 1436 OD1 ASP A 90 2.686 -14.585 1.364 1.00 0.00 O ATOM 1437 OD2 ASP A 90 1.831 -12.779 2.269 1.00 0.00 O ATOM 0 H ASP A 90 2.175 -10.913 -1.185 1.00 0.00 H new ATOM 0 HA ASP A 90 3.034 -13.737 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.641 -12.363 0.133 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.602 -14.073 -0.250 1.00 0.00 H new ATOM 1442 N LYS A 91 0.977 -14.387 -2.692 1.00 0.00 N ATOM 1443 CA LYS A 91 0.210 -14.725 -3.885 1.00 0.00 C ATOM 1444 C LYS A 91 -1.254 -14.347 -3.704 1.00 0.00 C ATOM 1445 O LYS A 91 -1.745 -14.240 -2.580 1.00 0.00 O ATOM 1446 CB LYS A 91 0.317 -16.222 -4.172 1.00 0.00 C ATOM 1447 CG LYS A 91 1.730 -16.759 -4.055 1.00 0.00 C ATOM 1448 CD LYS A 91 1.811 -18.237 -4.407 1.00 0.00 C ATOM 1449 CE LYS A 91 1.103 -19.105 -3.376 1.00 0.00 C ATOM 1450 NZ LYS A 91 1.251 -20.555 -3.676 1.00 0.00 N ATOM 0 H LYS A 91 1.082 -15.160 -2.035 1.00 0.00 H new ATOM 0 HA LYS A 91 0.620 -14.165 -4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.328 -16.764 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.056 -16.419 -5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.388 -16.193 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.092 -16.609 -3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.365 -18.402 -5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.857 -18.537 -4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.508 -18.896 -2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.045 -18.846 -3.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.755 -21.112 -2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.842 -20.760 -4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.260 -20.808 -3.677 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.941 -14.149 -4.819 1.00 0.00 N ATOM 1465 CA ASN A 92 -3.358 -13.805 -4.802 1.00 0.00 C ATOM 1466 C ASN A 92 -4.190 -15.059 -4.550 1.00 0.00 C ATOM 1467 O ASN A 92 -4.671 -15.697 -5.492 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.764 -13.173 -6.138 1.00 0.00 C ATOM 1469 CG ASN A 92 -5.116 -12.482 -6.082 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.962 -12.801 -5.251 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -5.337 -11.544 -6.992 1.00 0.00 N ATOM 0 H ASN A 92 -1.538 -14.221 -5.753 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.538 -13.086 -4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.005 -12.450 -6.437 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.789 -13.946 -6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.234 -11.060 -7.018 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.610 -11.306 -7.666 1.00 0.00 H new ATOM 1478 N THR A 93 -4.350 -15.419 -3.283 1.00 0.00 N ATOM 1479 CA THR A 93 -5.045 -16.646 -2.923 1.00 0.00 C ATOM 1480 C THR A 93 -6.557 -16.455 -2.898 1.00 0.00 C ATOM 1481 O THR A 93 -7.311 -17.409 -3.081 1.00 0.00 O ATOM 1482 CB THR A 93 -4.576 -17.179 -1.556 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.771 -16.194 -0.532 1.00 0.00 O ATOM 1484 CG2 THR A 93 -3.112 -17.567 -1.614 1.00 0.00 C ATOM 0 H THR A 93 -4.008 -14.878 -2.489 1.00 0.00 H new ATOM 0 HA THR A 93 -4.799 -17.376 -3.694 1.00 0.00 H new ATOM 0 HB THR A 93 -5.172 -18.060 -1.316 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.469 -16.552 0.329 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.796 -17.942 -0.640 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.971 -18.344 -2.365 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.515 -16.694 -1.878 1.00 0.00 H new ATOM 1492 N ASP A 94 -7.000 -15.224 -2.679 1.00 0.00 N ATOM 1493 CA ASP A 94 -8.429 -14.939 -2.606 1.00 0.00 C ATOM 1494 C ASP A 94 -8.995 -14.691 -4.001 1.00 0.00 C ATOM 1495 O ASP A 94 -10.212 -14.633 -4.189 1.00 0.00 O ATOM 1496 CB ASP A 94 -8.702 -13.741 -1.696 1.00 0.00 C ATOM 1497 CG ASP A 94 -8.227 -12.437 -2.289 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -9.048 -11.744 -2.919 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -7.038 -12.100 -2.119 1.00 0.00 O ATOM 0 H ASP A 94 -6.397 -14.412 -2.550 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.927 -15.809 -2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.772 -13.677 -1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.210 -13.899 -0.737 1.00 0.00 H new ATOM 1504 N ASN A 95 -8.088 -14.569 -4.969 1.00 0.00 N ATOM 1505 CA ASN A 95 -8.429 -14.448 -6.386 1.00 0.00 C ATOM 1506 C ASN A 95 -9.145 -13.136 -6.710 1.00 0.00 C ATOM 1507 O ASN A 95 -9.867 -13.046 -7.708 1.00 0.00 O ATOM 1508 CB ASN A 95 -9.282 -15.637 -6.837 1.00 0.00 C ATOM 1509 CG ASN A 95 -8.570 -16.967 -6.687 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.347 -17.059 -6.816 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -9.334 -18.009 -6.413 1.00 0.00 N ATOM 0 H ASN A 95 -7.084 -14.551 -4.790 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.488 -14.446 -6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.204 -15.657 -6.256 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.566 -15.499 -7.880 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.916 -18.932 -6.300 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.342 -17.890 -6.314 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.936 -12.121 -5.883 1.00 0.00 N ATOM 1519 CA ASN A 96 -9.469 -10.790 -6.155 1.00 0.00 C ATOM 1520 C ASN A 96 -8.352 -9.757 -6.012 1.00 0.00 C ATOM 1521 O ASN A 96 -7.736 -9.626 -4.955 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.664 -10.505 -5.222 1.00 0.00 C ATOM 1523 CG ASN A 96 -11.232 -9.091 -5.324 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.516 -8.114 -5.536 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -12.544 -8.978 -5.173 1.00 0.00 N ATOM 0 H ASN A 96 -8.401 -12.192 -5.017 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.841 -10.731 -7.178 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -11.458 -11.218 -5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -10.354 -10.684 -4.192 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -12.987 -8.061 -5.232 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -13.111 -9.808 -4.998 1.00 0.00 H new ATOM 1532 N ALA A 97 -8.094 -9.031 -7.097 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.948 -8.130 -7.182 1.00 0.00 C ATOM 1534 C ALA A 97 -7.032 -6.973 -6.186 1.00 0.00 C ATOM 1535 O ALA A 97 -6.006 -6.484 -5.710 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.809 -7.599 -8.599 1.00 0.00 C ATOM 0 H ALA A 97 -8.670 -9.050 -7.938 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.063 -8.709 -6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.952 -6.928 -8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.662 -8.432 -9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.713 -7.056 -8.874 1.00 0.00 H new ATOM 1542 N CYS A 98 -8.248 -6.538 -5.870 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.436 -5.457 -4.905 1.00 0.00 C ATOM 1544 C CYS A 98 -7.959 -5.908 -3.526 1.00 0.00 C ATOM 1545 O CYS A 98 -7.354 -5.139 -2.780 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.909 -5.033 -4.840 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.651 -4.621 -6.460 1.00 0.00 S ATOM 0 H CYS A 98 -9.111 -6.913 -6.263 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.848 -4.598 -5.228 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.486 -5.838 -4.384 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.996 -4.167 -4.184 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.204 -7.175 -3.212 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.822 -7.733 -1.921 1.00 0.00 C ATOM 1554 C HIS A 99 -6.322 -8.008 -1.900 1.00 0.00 C ATOM 1555 O HIS A 99 -5.676 -7.882 -0.865 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.612 -9.021 -1.656 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.494 -9.574 -0.262 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -9.589 -9.842 0.527 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -7.412 -9.945 0.468 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -9.191 -10.349 1.677 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -7.873 -10.423 1.670 1.00 0.00 N ATOM 0 H HIS A 99 -8.667 -7.836 -3.836 1.00 0.00 H new ATOM 0 HA HIS A 99 -8.054 -7.016 -1.134 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.665 -8.831 -1.866 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.279 -9.783 -2.361 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.379 -9.877 0.160 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.835 -10.653 2.489 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.293 -10.777 2.431 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.777 -8.366 -3.056 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.356 -8.696 -3.175 1.00 0.00 C ATOM 1572 C TRP A 100 -3.484 -7.500 -2.795 1.00 0.00 C ATOM 1573 O TRP A 100 -2.590 -7.612 -1.953 1.00 0.00 O ATOM 1574 CB TRP A 100 -4.036 -9.157 -4.604 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.636 -9.668 -4.779 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.739 -9.971 -3.794 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.979 -9.960 -6.020 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.564 -10.411 -4.344 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.687 -10.422 -5.708 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.358 -9.873 -7.363 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.226 -10.794 -6.689 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.451 -10.246 -8.336 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.173 -10.701 -7.997 1.00 0.00 C ATOM 0 H TRP A 100 -6.298 -8.436 -3.930 1.00 0.00 H new ATOM 0 HA TRP A 100 -4.135 -9.510 -2.484 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.737 -9.942 -4.887 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.196 -8.324 -5.288 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.929 -9.877 -2.735 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.268 -10.686 -3.822 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.342 -9.521 -7.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.214 -11.144 -6.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.734 -10.185 -9.377 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.513 -10.985 -8.781 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.754 -6.355 -3.413 1.00 0.00 N ATOM 1595 CA ALA A 101 -3.007 -5.136 -3.127 1.00 0.00 C ATOM 1596 C ALA A 101 -3.186 -4.728 -1.672 1.00 0.00 C ATOM 1597 O ALA A 101 -2.242 -4.287 -1.012 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.463 -4.018 -4.049 1.00 0.00 C ATOM 0 H ALA A 101 -4.485 -6.246 -4.116 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.948 -5.327 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.900 -3.112 -3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.291 -4.308 -5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.526 -3.831 -3.896 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.402 -4.901 -1.178 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.727 -4.561 0.195 1.00 0.00 C ATOM 1606 C PHE A 102 -4.008 -5.494 1.171 1.00 0.00 C ATOM 1607 O PHE A 102 -3.645 -5.094 2.274 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.237 -4.626 0.402 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.682 -4.264 1.791 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.644 -2.946 2.216 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -7.149 -5.232 2.666 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.062 -2.600 3.487 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.567 -4.892 3.937 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.525 -3.574 4.349 1.00 0.00 C ATOM 0 H PHE A 102 -5.184 -5.278 -1.713 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.388 -3.544 0.393 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.720 -3.955 -0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.581 -5.635 0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.283 -2.180 1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.186 -6.264 2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.027 -1.569 3.806 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.927 -5.657 4.609 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.853 -3.306 5.342 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.788 -6.733 0.740 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.129 -7.737 1.563 1.00 0.00 C ATOM 1626 C ARG A 103 -1.679 -7.346 1.817 1.00 0.00 C ATOM 1627 O ARG A 103 -1.188 -7.435 2.945 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.191 -9.103 0.879 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.632 -10.221 1.734 1.00 0.00 C ATOM 1630 CD ARG A 103 -2.782 -11.579 1.060 1.00 0.00 C ATOM 1631 NE ARG A 103 -2.157 -12.645 1.840 1.00 0.00 N ATOM 1632 CZ ARG A 103 -1.940 -13.879 1.385 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -2.325 -14.226 0.162 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -1.331 -14.771 2.157 1.00 0.00 N ATOM 0 H ARG A 103 -4.061 -7.066 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.648 -7.797 2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.227 -9.330 0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.637 -9.059 -0.059 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.578 -10.031 1.937 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.145 -10.234 2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.840 -11.802 0.923 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.333 -11.544 0.068 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.868 -12.431 2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.791 -13.546 -0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.154 -15.173 -0.177 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.030 -14.512 3.096 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.164 -15.716 1.811 1.00 0.00 H new ATOM 1648 N GLY A 104 -1.005 -6.900 0.760 1.00 0.00 N ATOM 1649 CA GLY A 104 0.375 -6.468 0.884 1.00 0.00 C ATOM 1650 C GLY A 104 0.509 -5.267 1.799 1.00 0.00 C ATOM 1651 O GLY A 104 1.379 -5.231 2.674 1.00 0.00 O ATOM 0 H GLY A 104 -1.392 -6.830 -0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.979 -7.289 1.271 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.768 -6.219 -0.102 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.374 -4.295 1.609 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.360 -3.074 2.398 1.00 0.00 C ATOM 1657 C PHE A 105 -0.654 -3.372 3.866 1.00 0.00 C ATOM 1658 O PHE A 105 0.031 -2.874 4.759 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.374 -2.077 1.829 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.619 -0.877 2.701 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -2.909 -0.497 3.041 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.556 -0.127 3.179 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.131 0.608 3.838 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -0.775 0.977 3.978 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.063 1.346 4.307 1.00 0.00 C ATOM 0 H PHE A 105 -1.114 -4.332 0.908 1.00 0.00 H new ATOM 0 HA PHE A 105 0.635 -2.632 2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.024 -1.738 0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.321 -2.592 1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.748 -1.072 2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.455 -0.409 2.924 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.140 0.895 4.095 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.062 1.552 4.346 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.235 2.211 4.930 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.652 -4.213 4.101 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.099 -4.526 5.453 1.00 0.00 C ATOM 1677 C LYS A 106 -1.016 -5.267 6.234 1.00 0.00 C ATOM 1678 O LYS A 106 -0.791 -4.993 7.411 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.410 -5.327 5.408 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.710 -6.124 6.664 1.00 0.00 C ATOM 1681 CD LYS A 106 -5.077 -6.786 6.581 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.427 -7.531 7.861 1.00 0.00 C ATOM 1683 NZ LYS A 106 -4.588 -8.741 8.065 1.00 0.00 N ATOM 0 H LYS A 106 -2.171 -4.694 3.367 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.291 -3.591 5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.235 -4.638 5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.373 -6.011 4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.943 -6.885 6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.673 -5.467 7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.835 -6.029 6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.093 -7.480 5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.305 -6.861 8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.477 -7.822 7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -4.878 -9.221 8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.710 -9.388 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.589 -8.462 8.137 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.337 -6.190 5.564 1.00 0.00 N ATOM 1698 CA CYS A 107 0.733 -6.962 6.181 1.00 0.00 C ATOM 1699 C CYS A 107 1.878 -6.058 6.626 1.00 0.00 C ATOM 1700 O CYS A 107 2.432 -6.219 7.717 1.00 0.00 O ATOM 1701 CB CYS A 107 1.245 -8.019 5.195 1.00 0.00 C ATOM 1702 SG CYS A 107 2.805 -8.834 5.691 1.00 0.00 S ATOM 0 H CYS A 107 -0.511 -6.423 4.586 1.00 0.00 H new ATOM 0 HA CYS A 107 0.333 -7.457 7.066 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.476 -8.782 5.069 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.390 -7.549 4.222 1.00 0.00 H new ATOM 1707 N PHE A 108 2.219 -5.095 5.781 1.00 0.00 N ATOM 1708 CA PHE A 108 3.374 -4.250 6.016 1.00 0.00 C ATOM 1709 C PHE A 108 3.083 -3.209 7.096 1.00 0.00 C ATOM 1710 O PHE A 108 3.835 -3.086 8.061 1.00 0.00 O ATOM 1711 CB PHE A 108 3.794 -3.575 4.715 1.00 0.00 C ATOM 1712 CG PHE A 108 5.184 -3.006 4.752 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.274 -3.808 4.446 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.405 -1.680 5.088 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.555 -3.296 4.475 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.687 -1.166 5.119 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.763 -1.976 4.810 1.00 0.00 C ATOM 0 H PHE A 108 1.708 -4.882 4.924 1.00 0.00 H new ATOM 0 HA PHE A 108 4.194 -4.874 6.372 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.729 -4.299 3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.089 -2.775 4.487 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.118 -4.844 4.182 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.567 -1.042 5.328 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.395 -3.931 4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.848 -0.132 5.385 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.766 -1.575 4.831 1.00 0.00 H new ATOM 1727 N GLN A 109 1.974 -2.483 6.947 1.00 0.00 N ATOM 1728 CA GLN A 109 1.604 -1.429 7.893 1.00 0.00 C ATOM 1729 C GLN A 109 1.388 -1.997 9.294 1.00 0.00 C ATOM 1730 O GLN A 109 1.526 -1.287 10.290 1.00 0.00 O ATOM 1731 CB GLN A 109 0.345 -0.692 7.414 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.928 -1.534 7.400 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.840 -1.257 8.583 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.390 -0.883 9.661 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.136 -1.450 8.392 1.00 0.00 N ATOM 0 H GLN A 109 1.315 -2.606 6.178 1.00 0.00 H new ATOM 0 HA GLN A 109 2.428 -0.717 7.940 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.183 0.174 8.056 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.524 -0.314 6.407 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.473 -1.342 6.476 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.658 -2.590 7.397 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.477 -1.761 7.482 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.794 -1.287 9.154 1.00 0.00 H new ATOM 1744 N LYS A 110 1.073 -3.285 9.356 1.00 0.00 N ATOM 1745 CA LYS A 110 0.801 -3.965 10.611 1.00 0.00 C ATOM 1746 C LYS A 110 2.025 -3.930 11.525 1.00 0.00 C ATOM 1747 O LYS A 110 1.902 -3.924 12.749 1.00 0.00 O ATOM 1748 CB LYS A 110 0.406 -5.411 10.316 1.00 0.00 C ATOM 1749 CG LYS A 110 -0.041 -6.195 11.532 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.392 -7.629 11.165 1.00 0.00 C ATOM 1751 CE LYS A 110 -0.965 -8.386 12.352 1.00 0.00 C ATOM 1752 NZ LYS A 110 -2.267 -7.825 12.795 1.00 0.00 N ATOM 0 H LYS A 110 1.000 -3.886 8.535 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.015 -3.456 11.124 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.399 -5.413 9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.255 -5.922 9.861 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.751 -6.192 12.281 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.907 -5.710 11.982 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.115 -7.630 10.349 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.499 -8.141 10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.094 -9.435 12.085 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.256 -8.353 13.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.742 -8.504 13.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.105 -6.934 13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.867 -7.643 11.965 1.00 0.00 H new ATOM 1766 N ASN A 111 3.206 -3.897 10.922 1.00 0.00 N ATOM 1767 CA ASN A 111 4.447 -3.906 11.684 1.00 0.00 C ATOM 1768 C ASN A 111 5.261 -2.648 11.415 1.00 0.00 C ATOM 1769 O ASN A 111 6.037 -2.204 12.259 1.00 0.00 O ATOM 1770 CB ASN A 111 5.289 -5.136 11.330 1.00 0.00 C ATOM 1771 CG ASN A 111 4.528 -6.444 11.467 1.00 0.00 C ATOM 1772 OD1 ASN A 111 4.450 -7.023 12.549 1.00 0.00 O ATOM 1773 ND2 ASN A 111 3.978 -6.933 10.364 1.00 0.00 N ATOM 0 H ASN A 111 3.330 -3.864 9.910 1.00 0.00 H new ATOM 0 HA ASN A 111 4.183 -3.940 12.741 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.649 -5.039 10.306 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.167 -5.165 11.975 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.470 -7.817 10.396 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.063 -6.425 9.483 1.00 0.00 H new ATOM 1780 N ASN A 112 5.072 -2.067 10.240 1.00 0.00 N ATOM 1781 CA ASN A 112 5.921 -0.976 9.782 1.00 0.00 C ATOM 1782 C ASN A 112 5.101 0.165 9.194 1.00 0.00 C ATOM 1783 O ASN A 112 5.194 0.455 8.002 1.00 0.00 O ATOM 1784 CB ASN A 112 6.910 -1.489 8.734 1.00 0.00 C ATOM 1785 CG ASN A 112 7.990 -2.369 9.325 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.503 -2.100 10.411 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.318 -3.450 8.636 1.00 0.00 N ATOM 0 H ASN A 112 4.337 -2.333 9.585 1.00 0.00 H new ATOM 0 HA ASN A 112 6.463 -0.593 10.646 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.367 -2.050 7.973 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.374 -0.639 8.233 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.019 -4.095 9.002 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.870 -3.639 7.739 1.00 0.00 H new ATOM 1794 N LEU A 113 4.304 0.818 10.026 1.00 0.00 N ATOM 1795 CA LEU A 113 3.491 1.936 9.561 1.00 0.00 C ATOM 1796 C LEU A 113 4.282 3.241 9.618 1.00 0.00 C ATOM 1797 O LEU A 113 4.068 4.150 8.810 1.00 0.00 O ATOM 1798 CB LEU A 113 2.199 2.051 10.375 1.00 0.00 C ATOM 1799 CG LEU A 113 1.312 3.242 10.018 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.815 3.118 8.587 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.144 3.338 10.983 1.00 0.00 C ATOM 0 H LEU A 113 4.202 0.598 11.017 1.00 0.00 H new ATOM 0 HA LEU A 113 3.220 1.745 8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.622 1.136 10.243 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.458 2.115 11.432 1.00 0.00 H new ATOM 0 HG LEU A 113 1.902 4.155 10.100 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.184 3.973 8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.667 3.092 7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.238 2.200 8.481 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.479 4.191 10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.449 2.425 10.929 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.520 3.467 11.998 1.00 0.00 H new ATOM 1813 N SER A 114 5.212 3.323 10.561 1.00 0.00 N ATOM 1814 CA SER A 114 6.048 4.510 10.714 1.00 0.00 C ATOM 1815 C SER A 114 6.886 4.743 9.460 1.00 0.00 C ATOM 1816 O SER A 114 7.071 5.883 9.025 1.00 0.00 O ATOM 1817 CB SER A 114 6.956 4.360 11.937 1.00 0.00 C ATOM 1818 OG SER A 114 6.208 3.976 13.080 1.00 0.00 O ATOM 0 H SER A 114 5.408 2.581 11.233 1.00 0.00 H new ATOM 0 HA SER A 114 5.399 5.374 10.859 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.726 3.615 11.734 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.468 5.302 12.132 1.00 0.00 H new ATOM 0 HG SER A 114 6.809 3.885 13.849 1.00 0.00 H new ATOM 1824 N LEU A 115 7.372 3.655 8.869 1.00 0.00 N ATOM 1825 CA LEU A 115 8.163 3.732 7.651 1.00 0.00 C ATOM 1826 C LEU A 115 7.313 4.247 6.498 1.00 0.00 C ATOM 1827 O LEU A 115 7.795 4.970 5.632 1.00 0.00 O ATOM 1828 CB LEU A 115 8.729 2.356 7.307 1.00 0.00 C ATOM 1829 CG LEU A 115 9.695 2.324 6.125 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.940 3.126 6.448 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.065 0.893 5.776 1.00 0.00 C ATOM 0 H LEU A 115 7.229 2.707 9.218 1.00 0.00 H new ATOM 0 HA LEU A 115 8.988 4.426 7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.242 1.963 8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.899 1.683 7.095 1.00 0.00 H new ATOM 0 HG LEU A 115 9.202 2.771 5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.622 3.097 5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.663 4.160 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.431 2.699 7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.754 0.891 4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.542 0.421 6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.165 0.339 5.511 1.00 0.00 H new ATOM 1843 N ILE A 116 6.037 3.881 6.511 1.00 0.00 N ATOM 1844 CA ILE A 116 5.104 4.303 5.478 1.00 0.00 C ATOM 1845 C ILE A 116 4.877 5.811 5.550 1.00 0.00 C ATOM 1846 O ILE A 116 4.817 6.496 4.529 1.00 0.00 O ATOM 1847 CB ILE A 116 3.754 3.561 5.613 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.964 2.052 5.439 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.746 4.080 4.598 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.689 1.245 5.534 1.00 0.00 C ATOM 0 H ILE A 116 5.624 3.289 7.232 1.00 0.00 H new ATOM 0 HA ILE A 116 5.540 4.054 4.510 1.00 0.00 H new ATOM 0 HB ILE A 116 3.355 3.748 6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.428 1.868 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.663 1.702 6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.805 3.543 4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.579 5.144 4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.132 3.925 3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.917 0.187 5.401 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.234 1.398 6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.996 1.567 4.757 1.00 0.00 H new ATOM 1862 N LYS A 117 4.777 6.324 6.769 1.00 0.00 N ATOM 1863 CA LYS A 117 4.609 7.752 6.992 1.00 0.00 C ATOM 1864 C LYS A 117 5.841 8.528 6.529 1.00 0.00 C ATOM 1865 O LYS A 117 5.727 9.540 5.839 1.00 0.00 O ATOM 1866 CB LYS A 117 4.333 8.030 8.470 1.00 0.00 C ATOM 1867 CG LYS A 117 2.947 7.582 8.924 1.00 0.00 C ATOM 1868 CD LYS A 117 2.735 7.824 10.413 1.00 0.00 C ATOM 1869 CE LYS A 117 1.325 7.455 10.850 1.00 0.00 C ATOM 1870 NZ LYS A 117 1.148 7.616 12.316 1.00 0.00 N ATOM 0 H LYS A 117 4.810 5.767 7.623 1.00 0.00 H new ATOM 0 HA LYS A 117 3.755 8.088 6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.086 7.523 9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.440 9.098 8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.187 8.119 8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.818 6.522 8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.457 7.239 10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.924 8.873 10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.605 8.082 10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.114 6.423 10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.176 7.356 12.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.819 6.999 12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.325 8.606 12.580 1.00 0.00 H new ATOM 1884 N ALA A 118 7.018 8.039 6.901 1.00 0.00 N ATOM 1885 CA ALA A 118 8.275 8.678 6.523 1.00 0.00 C ATOM 1886 C ALA A 118 8.531 8.556 5.025 1.00 0.00 C ATOM 1887 O ALA A 118 9.168 9.417 4.418 1.00 0.00 O ATOM 1888 CB ALA A 118 9.416 8.056 7.300 1.00 0.00 C ATOM 0 H ALA A 118 7.129 7.198 7.467 1.00 0.00 H new ATOM 0 HA ALA A 118 8.206 9.739 6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.353 8.535 7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.247 8.194 8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.470 6.991 7.076 1.00 0.00 H new ATOM 1894 N SER A 119 8.033 7.475 4.447 1.00 0.00 N ATOM 1895 CA SER A 119 8.157 7.212 3.019 1.00 0.00 C ATOM 1896 C SER A 119 7.623 8.376 2.183 1.00 0.00 C ATOM 1897 O SER A 119 8.267 8.819 1.229 1.00 0.00 O ATOM 1898 CB SER A 119 7.399 5.929 2.671 1.00 0.00 C ATOM 1899 OG SER A 119 7.498 5.620 1.296 1.00 0.00 O ATOM 0 H SER A 119 7.528 6.750 4.957 1.00 0.00 H new ATOM 0 HA SER A 119 9.215 7.095 2.785 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.795 5.101 3.259 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.350 6.041 2.944 1.00 0.00 H new ATOM 0 HG SER A 119 6.774 5.009 1.045 1.00 0.00 H new ATOM 1905 N ILE A 120 6.449 8.872 2.554 1.00 0.00 N ATOM 1906 CA ILE A 120 5.804 9.944 1.808 1.00 0.00 C ATOM 1907 C ILE A 120 6.209 11.316 2.336 1.00 0.00 C ATOM 1908 O ILE A 120 5.777 12.348 1.817 1.00 0.00 O ATOM 1909 CB ILE A 120 4.268 9.817 1.851 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.777 9.723 3.295 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.821 8.606 1.053 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.276 9.841 3.432 1.00 0.00 C ATOM 0 H ILE A 120 5.925 8.549 3.367 1.00 0.00 H new ATOM 0 HA ILE A 120 6.139 9.849 0.775 1.00 0.00 H new ATOM 0 HB ILE A 120 3.831 10.709 1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.099 8.771 3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.250 10.509 3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.735 8.526 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.141 8.715 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.266 7.706 1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.000 9.765 4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.949 10.804 3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.795 9.039 2.872 1.00 0.00 H new ATOM 1924 N LYS A 121 7.032 11.329 3.370 1.00 0.00 N ATOM 1925 CA LYS A 121 7.514 12.571 3.939 1.00 0.00 C ATOM 1926 C LYS A 121 8.809 12.985 3.255 1.00 0.00 C ATOM 1927 O LYS A 121 9.805 12.265 3.313 1.00 0.00 O ATOM 1928 CB LYS A 121 7.752 12.400 5.439 1.00 0.00 C ATOM 1929 CG LYS A 121 8.133 13.687 6.154 1.00 0.00 C ATOM 1930 CD LYS A 121 8.531 13.422 7.597 1.00 0.00 C ATOM 1931 CE LYS A 121 8.887 14.707 8.330 1.00 0.00 C ATOM 1932 NZ LYS A 121 7.725 15.627 8.440 1.00 0.00 N ATOM 0 H LYS A 121 7.380 10.489 3.833 1.00 0.00 H new ATOM 0 HA LYS A 121 6.764 13.347 3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.849 11.996 5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.542 11.665 5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.959 14.166 5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.294 14.382 6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.711 12.924 8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.383 12.742 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 121 9.253 14.465 9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 121 9.699 15.210 7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.954 16.398 9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 7.508 16.025 7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.899 15.103 8.793 1.00 0.00 H new