USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 SER OG : rot 89:sc= 1.27 USER MOD Set 1.2: A 33 CYS SG : rot 118:sc= 0.0153 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0688 USER MOD Single : A 10 TYR OH : rot -79:sc= 0.197 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 15 SER OG : rot -131:sc= 0.0271 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.091 X(o=-0.091,f=-0.14) USER MOD Single : A 34 LYS NZ :NH3+ 147:sc= 0.0037 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.792 K(o=0.79,f=-0.28) USER MOD Single : A 36 CYS SG : rot 105:sc= 0.988 USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= -0.0476 (180deg=-0.406) USER MOD Single : A 38 MET CE :methyl -168:sc= -1.4 (180deg=-1.87) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 180:sc= -0.921 USER MOD Single : A 54 HIS : no HE2:sc= -1.01 K(o=-1,f=-2.1!) USER MOD Single : A 56 HIS : no HE2:sc= 0.271 K(o=0.27,f=-2.1!) USER MOD Single : A 58 HIS : no HD1:sc= -0.0489 K(o=-0.049,f=-3.3!) USER MOD Single : A 66 MET CE :methyl -161:sc= -0.349 (180deg=-1.54) USER MOD Single : A 67 ASN : amide:sc= 0.47 K(o=0.47,f=-4.2!) USER MOD Single : A 70 LYS NZ :NH3+ -131:sc= -0.307 (180deg=-1.47!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -166:sc= 1.17 (180deg=0.84) USER MOD Single : A 77 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0343) USER MOD Single : A 79 ASN : amide:sc= -0.235 X(o=-0.24,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N MET A 5 -6.014 -12.855 -0.701 1.00 0.00 N ATOM 63 CA MET A 5 -5.181 -11.878 -0.009 1.00 0.00 C ATOM 64 C MET A 5 -5.363 -10.483 -0.607 1.00 0.00 C ATOM 65 O MET A 5 -4.550 -10.037 -1.414 1.00 0.00 O ATOM 66 CB MET A 5 -3.702 -12.279 -0.082 1.00 0.00 C ATOM 67 CG MET A 5 -3.405 -13.636 0.529 1.00 0.00 C ATOM 68 SD MET A 5 -1.649 -14.041 0.502 1.00 0.00 S ATOM 69 CE MET A 5 -1.667 -15.651 1.287 1.00 0.00 C ATOM 0 HA MET A 5 -5.494 -11.857 1.035 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.388 -12.284 -1.126 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.104 -11.523 0.427 1.00 0.00 H new ATOM 0 HG2 MET A 5 -3.762 -13.652 1.559 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.959 -14.403 -0.012 1.00 0.00 H new ATOM 0 HE1 MET A 5 -0.650 -16.039 1.346 1.00 0.00 H new ATOM 0 HE2 MET A 5 -2.080 -15.561 2.292 1.00 0.00 H new ATOM 0 HE3 MET A 5 -2.282 -16.334 0.702 1.00 0.00 H new ATOM 79 N PRO A 6 -6.434 -9.774 -0.221 1.00 0.00 N ATOM 80 CA PRO A 6 -6.708 -8.425 -0.723 1.00 0.00 C ATOM 81 C PRO A 6 -5.724 -7.388 -0.183 1.00 0.00 C ATOM 82 O PRO A 6 -5.332 -7.431 0.981 1.00 0.00 O ATOM 83 CB PRO A 6 -8.123 -8.135 -0.220 1.00 0.00 C ATOM 84 CG PRO A 6 -8.295 -9.006 0.975 1.00 0.00 C ATOM 85 CD PRO A 6 -7.470 -10.236 0.721 1.00 0.00 C ATOM 0 HA PRO A 6 -6.608 -8.369 -1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.242 -7.083 0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.867 -8.362 -0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.964 -8.495 1.879 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.344 -9.264 1.120 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.031 -10.621 1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.070 -11.039 0.294 1.00 0.00 H new ATOM 93 N LYS A 7 -5.316 -6.460 -1.033 1.00 0.00 N ATOM 94 CA LYS A 7 -4.415 -5.391 -0.623 1.00 0.00 C ATOM 95 C LYS A 7 -5.114 -4.046 -0.757 1.00 0.00 C ATOM 96 O LYS A 7 -4.497 -2.987 -0.631 1.00 0.00 O ATOM 97 CB LYS A 7 -3.139 -5.411 -1.471 1.00 0.00 C ATOM 98 CG LYS A 7 -2.309 -6.676 -1.300 1.00 0.00 C ATOM 99 CD LYS A 7 -1.104 -6.694 -2.232 1.00 0.00 C ATOM 100 CE LYS A 7 -0.169 -5.521 -1.977 1.00 0.00 C ATOM 101 NZ LYS A 7 1.028 -5.567 -2.855 1.00 0.00 N ATOM 0 H LYS A 7 -5.594 -6.424 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.138 -5.546 0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.410 -5.304 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.527 -4.548 -1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.970 -6.751 -0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.932 -7.549 -1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.558 -7.628 -2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.445 -6.667 -3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.705 -4.587 -2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.146 -5.527 -0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.640 -4.751 -2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.554 -6.447 -2.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.730 -5.535 -3.851 1.00 0.00 H new ATOM 115 N THR A 8 -6.408 -4.109 -1.014 1.00 0.00 N ATOM 116 CA THR A 8 -7.217 -2.922 -1.194 1.00 0.00 C ATOM 117 C THR A 8 -8.211 -2.777 -0.044 1.00 0.00 C ATOM 118 O THR A 8 -8.924 -3.722 0.294 1.00 0.00 O ATOM 119 CB THR A 8 -7.985 -2.997 -2.528 1.00 0.00 C ATOM 120 OG1 THR A 8 -7.090 -3.387 -3.582 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.628 -1.661 -2.869 1.00 0.00 C ATOM 0 H THR A 8 -6.925 -4.984 -1.103 1.00 0.00 H new ATOM 0 HA THR A 8 -6.556 -2.056 -1.207 1.00 0.00 H new ATOM 0 HB THR A 8 -8.776 -3.739 -2.424 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.582 -3.435 -4.428 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.162 -1.745 -3.815 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.327 -1.382 -2.081 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.855 -0.897 -2.956 1.00 0.00 H new ATOM 129 N LEU A 9 -8.242 -1.606 0.570 1.00 0.00 N ATOM 130 CA LEU A 9 -9.186 -1.337 1.638 1.00 0.00 C ATOM 131 C LEU A 9 -10.409 -0.621 1.082 1.00 0.00 C ATOM 132 O LEU A 9 -10.295 0.432 0.449 1.00 0.00 O ATOM 133 CB LEU A 9 -8.546 -0.499 2.755 1.00 0.00 C ATOM 134 CG LEU A 9 -7.501 -1.216 3.623 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.044 -2.538 4.136 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.200 -1.427 2.864 1.00 0.00 C ATOM 0 H LEU A 9 -7.623 -0.827 0.346 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.489 -2.291 2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.076 0.374 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.339 -0.132 3.406 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.286 -0.576 4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.288 -3.029 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.935 -2.357 4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.299 -3.179 3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.482 -1.937 3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.390 -2.034 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.794 -0.461 2.562 1.00 0.00 H new ATOM 148 N TYR A 10 -11.573 -1.210 1.303 1.00 0.00 N ATOM 149 CA TYR A 10 -12.825 -0.643 0.831 1.00 0.00 C ATOM 150 C TYR A 10 -13.481 0.149 1.951 1.00 0.00 C ATOM 151 O TYR A 10 -14.122 -0.427 2.830 1.00 0.00 O ATOM 152 CB TYR A 10 -13.761 -1.761 0.355 1.00 0.00 C ATOM 153 CG TYR A 10 -15.047 -1.274 -0.287 1.00 0.00 C ATOM 154 CD1 TYR A 10 -15.125 -1.094 -1.660 1.00 0.00 C ATOM 155 CD2 TYR A 10 -16.181 -1.010 0.472 1.00 0.00 C ATOM 156 CE1 TYR A 10 -16.292 -0.666 -2.262 1.00 0.00 C ATOM 157 CE2 TYR A 10 -17.354 -0.578 -0.122 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.403 -0.409 -1.490 1.00 0.00 C ATOM 159 OH TYR A 10 -18.569 0.013 -2.090 1.00 0.00 O ATOM 0 H TYR A 10 -11.676 -2.088 1.811 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.624 0.024 -0.007 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.226 -2.385 -0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.012 -2.395 1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.256 -1.292 -2.270 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -16.146 -1.144 1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.333 -0.534 -3.333 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.226 -0.374 0.482 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.501 0.968 -2.301 1.00 0.00 H new ATOM 169 N VAL A 11 -13.305 1.459 1.935 1.00 0.00 N ATOM 170 CA VAL A 11 -13.914 2.310 2.943 1.00 0.00 C ATOM 171 C VAL A 11 -15.188 2.935 2.400 1.00 0.00 C ATOM 172 O VAL A 11 -15.145 3.755 1.487 1.00 0.00 O ATOM 173 CB VAL A 11 -12.956 3.424 3.414 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.612 4.286 4.485 1.00 0.00 C ATOM 175 CG2 VAL A 11 -11.662 2.825 3.933 1.00 0.00 C ATOM 0 H VAL A 11 -12.748 1.955 1.239 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.146 1.680 3.801 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.726 4.060 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.918 5.064 4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.513 4.746 4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.875 3.665 5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.997 3.624 4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.878 2.165 4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.180 2.256 3.138 1.00 0.00 H new ATOM 185 N GLY A 12 -16.313 2.536 2.958 1.00 0.00 N ATOM 186 CA GLY A 12 -17.583 3.039 2.496 1.00 0.00 C ATOM 187 C GLY A 12 -18.235 3.958 3.502 1.00 0.00 C ATOM 188 O GLY A 12 -17.795 4.030 4.652 1.00 0.00 O ATOM 0 H GLY A 12 -16.370 1.869 3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.440 3.574 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.249 2.202 2.287 1.00 0.00 H new ATOM 192 N ASN A 13 -19.265 4.667 3.049 1.00 0.00 N ATOM 193 CA ASN A 13 -20.071 5.547 3.895 1.00 0.00 C ATOM 194 C ASN A 13 -19.330 6.831 4.242 1.00 0.00 C ATOM 195 O ASN A 13 -19.191 7.195 5.409 1.00 0.00 O ATOM 196 CB ASN A 13 -20.540 4.839 5.171 1.00 0.00 C ATOM 197 CG ASN A 13 -21.510 3.708 4.884 1.00 0.00 C ATOM 198 OD1 ASN A 13 -21.115 2.546 4.770 1.00 0.00 O ATOM 199 ND2 ASN A 13 -22.781 4.040 4.737 1.00 0.00 N ATOM 0 H ASN A 13 -19.568 4.648 2.075 1.00 0.00 H new ATOM 0 HA ASN A 13 -20.954 5.813 3.313 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.674 4.445 5.703 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.017 5.564 5.831 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.474 3.323 4.521 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -23.069 5.013 4.839 1.00 0.00 H new ATOM 206 N LEU A 14 -18.872 7.524 3.209 1.00 0.00 N ATOM 207 CA LEU A 14 -18.198 8.804 3.377 1.00 0.00 C ATOM 208 C LEU A 14 -19.216 9.931 3.514 1.00 0.00 C ATOM 209 O LEU A 14 -20.424 9.699 3.535 1.00 0.00 O ATOM 210 CB LEU A 14 -17.275 9.088 2.189 1.00 0.00 C ATOM 211 CG LEU A 14 -16.082 8.144 2.044 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.253 8.516 0.823 1.00 0.00 C ATOM 213 CD2 LEU A 14 -15.222 8.168 3.302 1.00 0.00 C ATOM 0 H LEU A 14 -18.956 7.219 2.239 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.599 8.752 4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.865 9.043 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.901 10.108 2.277 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.461 7.131 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.408 7.833 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.871 8.445 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.886 9.537 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.378 7.489 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.853 9.180 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.819 7.852 4.157 1.00 0.00 H new ATOM 225 N SER A 15 -18.719 11.151 3.606 1.00 0.00 N ATOM 226 CA SER A 15 -19.569 12.320 3.734 1.00 0.00 C ATOM 227 C SER A 15 -18.902 13.510 3.064 1.00 0.00 C ATOM 228 O SER A 15 -17.697 13.485 2.811 1.00 0.00 O ATOM 229 CB SER A 15 -19.826 12.619 5.213 1.00 0.00 C ATOM 230 OG SER A 15 -20.634 13.770 5.373 1.00 0.00 O ATOM 0 H SER A 15 -17.720 11.359 3.594 1.00 0.00 H new ATOM 0 HA SER A 15 -20.525 12.127 3.246 1.00 0.00 H new ATOM 0 HB2 SER A 15 -20.313 11.763 5.680 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.876 12.765 5.727 1.00 0.00 H new ATOM 0 HG SER A 15 -20.221 14.372 6.027 1.00 0.00 H new ATOM 236 N ARG A 16 -19.681 14.551 2.786 1.00 0.00 N ATOM 237 CA ARG A 16 -19.145 15.769 2.194 1.00 0.00 C ATOM 238 C ARG A 16 -18.242 16.484 3.203 1.00 0.00 C ATOM 239 O ARG A 16 -17.441 17.348 2.842 1.00 0.00 O ATOM 240 CB ARG A 16 -20.284 16.692 1.710 1.00 0.00 C ATOM 241 CG ARG A 16 -20.844 17.654 2.754 1.00 0.00 C ATOM 242 CD ARG A 16 -21.468 16.946 3.946 1.00 0.00 C ATOM 243 NE ARG A 16 -22.735 16.288 3.636 1.00 0.00 N ATOM 244 CZ ARG A 16 -23.512 15.730 4.565 1.00 0.00 C ATOM 245 NH1 ARG A 16 -23.116 15.720 5.834 1.00 0.00 N ATOM 246 NH2 ARG A 16 -24.673 15.183 4.227 1.00 0.00 N ATOM 0 H ARG A 16 -20.685 14.574 2.962 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.547 15.504 1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -19.920 17.275 0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.099 16.070 1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -20.044 18.306 3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -21.593 18.293 2.286 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.766 16.204 4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.630 17.670 4.745 1.00 0.00 H new ATOM 0 HE ARG A 16 -23.040 16.254 2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -22.222 16.138 6.093 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -23.706 15.295 6.549 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -24.975 15.188 3.253 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -25.264 14.757 4.942 1.00 0.00 H new ATOM 260 N ASP A 17 -18.378 16.097 4.472 1.00 0.00 N ATOM 261 CA ASP A 17 -17.539 16.626 5.543 1.00 0.00 C ATOM 262 C ASP A 17 -16.170 15.954 5.520 1.00 0.00 C ATOM 263 O ASP A 17 -15.185 16.490 6.031 1.00 0.00 O ATOM 264 CB ASP A 17 -18.192 16.389 6.911 1.00 0.00 C ATOM 265 CG ASP A 17 -19.528 17.084 7.075 1.00 0.00 C ATOM 266 OD1 ASP A 17 -20.574 16.444 6.827 1.00 0.00 O ATOM 267 OD2 ASP A 17 -19.542 18.268 7.468 1.00 0.00 O ATOM 0 H ASP A 17 -19.068 15.413 4.783 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.424 17.698 5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.329 15.318 7.058 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.514 16.734 7.692 1.00 0.00 H new ATOM 272 N VAL A 18 -16.122 14.774 4.913 1.00 0.00 N ATOM 273 CA VAL A 18 -14.905 13.976 4.860 1.00 0.00 C ATOM 274 C VAL A 18 -14.011 14.447 3.719 1.00 0.00 C ATOM 275 O VAL A 18 -14.494 14.772 2.633 1.00 0.00 O ATOM 276 CB VAL A 18 -15.230 12.470 4.691 1.00 0.00 C ATOM 277 CG1 VAL A 18 -13.959 11.642 4.619 1.00 0.00 C ATOM 278 CG2 VAL A 18 -16.116 11.984 5.831 1.00 0.00 C ATOM 0 H VAL A 18 -16.922 14.346 4.446 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.377 14.108 5.805 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.769 12.345 3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.217 10.590 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.361 11.967 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.386 11.774 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.334 10.925 5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.601 12.130 6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.048 12.549 5.834 1.00 0.00 H new ATOM 288 N THR A 19 -12.711 14.496 3.972 1.00 0.00 N ATOM 289 CA THR A 19 -11.763 14.948 2.973 1.00 0.00 C ATOM 290 C THR A 19 -10.653 13.918 2.770 1.00 0.00 C ATOM 291 O THR A 19 -10.287 13.192 3.702 1.00 0.00 O ATOM 292 CB THR A 19 -11.155 16.318 3.355 1.00 0.00 C ATOM 293 OG1 THR A 19 -10.250 16.768 2.337 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.425 16.249 4.689 1.00 0.00 C ATOM 0 H THR A 19 -12.292 14.227 4.862 1.00 0.00 H new ATOM 0 HA THR A 19 -12.306 15.065 2.035 1.00 0.00 H new ATOM 0 HB THR A 19 -11.978 17.026 3.447 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.875 17.637 2.593 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.010 17.228 4.928 1.00 0.00 H new ATOM 0 HG22 THR A 19 -11.123 15.951 5.471 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.618 15.519 4.625 1.00 0.00 H new ATOM 302 N GLU A 20 -10.131 13.862 1.547 1.00 0.00 N ATOM 303 CA GLU A 20 -9.066 12.931 1.177 1.00 0.00 C ATOM 304 C GLU A 20 -7.853 13.089 2.092 1.00 0.00 C ATOM 305 O GLU A 20 -7.282 12.103 2.558 1.00 0.00 O ATOM 306 CB GLU A 20 -8.660 13.175 -0.282 1.00 0.00 C ATOM 307 CG GLU A 20 -7.542 12.275 -0.782 1.00 0.00 C ATOM 308 CD GLU A 20 -7.170 12.562 -2.223 1.00 0.00 C ATOM 309 OE1 GLU A 20 -7.591 11.795 -3.118 1.00 0.00 O ATOM 310 OE2 GLU A 20 -6.459 13.561 -2.473 1.00 0.00 O ATOM 0 H GLU A 20 -10.435 14.463 0.781 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.440 11.913 1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.534 13.035 -0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.350 14.214 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.664 12.406 -0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.849 11.233 -0.689 1.00 0.00 H new ATOM 317 N ALA A 21 -7.488 14.337 2.366 1.00 0.00 N ATOM 318 CA ALA A 21 -6.306 14.644 3.171 1.00 0.00 C ATOM 319 C ALA A 21 -6.405 14.050 4.576 1.00 0.00 C ATOM 320 O ALA A 21 -5.390 13.776 5.215 1.00 0.00 O ATOM 321 CB ALA A 21 -6.099 16.150 3.249 1.00 0.00 C ATOM 0 H ALA A 21 -7.996 15.159 2.041 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.446 14.188 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.216 16.365 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.960 16.551 2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.972 16.614 3.707 1.00 0.00 H new ATOM 327 N LEU A 22 -7.628 13.846 5.046 1.00 0.00 N ATOM 328 CA LEU A 22 -7.856 13.289 6.375 1.00 0.00 C ATOM 329 C LEU A 22 -7.789 11.767 6.337 1.00 0.00 C ATOM 330 O LEU A 22 -7.055 11.147 7.108 1.00 0.00 O ATOM 331 CB LEU A 22 -9.215 13.746 6.913 1.00 0.00 C ATOM 332 CG LEU A 22 -9.575 13.239 8.310 1.00 0.00 C ATOM 333 CD1 LEU A 22 -8.547 13.706 9.328 1.00 0.00 C ATOM 334 CD2 LEU A 22 -10.964 13.712 8.700 1.00 0.00 C ATOM 0 H LEU A 22 -8.480 14.058 4.527 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.073 13.652 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.233 14.836 6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.989 13.422 6.217 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.571 12.149 8.295 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.819 13.336 10.316 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.564 13.322 9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.519 14.796 9.344 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.207 13.344 9.697 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.991 14.802 8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.692 13.331 7.985 1.00 0.00 H new ATOM 346 N ILE A 23 -8.548 11.177 5.422 1.00 0.00 N ATOM 347 CA ILE A 23 -8.600 9.726 5.271 1.00 0.00 C ATOM 348 C ILE A 23 -7.216 9.154 4.977 1.00 0.00 C ATOM 349 O ILE A 23 -6.769 8.210 5.630 1.00 0.00 O ATOM 350 CB ILE A 23 -9.580 9.323 4.147 1.00 0.00 C ATOM 351 CG1 ILE A 23 -10.995 9.796 4.488 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.560 7.818 3.920 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.509 9.265 5.811 1.00 0.00 C ATOM 0 H ILE A 23 -9.142 11.686 4.767 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.956 9.312 6.214 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.261 9.806 3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.009 10.886 4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.674 9.487 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.259 7.561 3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.555 7.506 3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.852 7.308 4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.517 9.641 5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.528 8.176 5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.852 9.596 6.616 1.00 0.00 H new ATOM 365 N LEU A 24 -6.531 9.755 4.013 1.00 0.00 N ATOM 366 CA LEU A 24 -5.213 9.287 3.606 1.00 0.00 C ATOM 367 C LEU A 24 -4.191 9.464 4.719 1.00 0.00 C ATOM 368 O LEU A 24 -3.240 8.692 4.814 1.00 0.00 O ATOM 369 CB LEU A 24 -4.751 10.010 2.338 1.00 0.00 C ATOM 370 CG LEU A 24 -5.211 9.377 1.021 1.00 0.00 C ATOM 371 CD1 LEU A 24 -4.603 7.993 0.858 1.00 0.00 C ATOM 372 CD2 LEU A 24 -6.731 9.298 0.955 1.00 0.00 C ATOM 0 H LEU A 24 -6.867 10.569 3.498 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.293 8.221 3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.111 11.038 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.662 10.054 2.340 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.868 10.010 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.939 7.556 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.516 8.071 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.917 7.358 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.031 8.845 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.100 8.691 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.151 10.301 1.026 1.00 0.00 H new ATOM 384 N GLN A 25 -4.396 10.464 5.567 1.00 0.00 N ATOM 385 CA GLN A 25 -3.492 10.709 6.684 1.00 0.00 C ATOM 386 C GLN A 25 -3.523 9.537 7.654 1.00 0.00 C ATOM 387 O GLN A 25 -2.478 9.041 8.082 1.00 0.00 O ATOM 388 CB GLN A 25 -3.874 11.989 7.426 1.00 0.00 C ATOM 389 CG GLN A 25 -2.878 12.372 8.506 1.00 0.00 C ATOM 390 CD GLN A 25 -3.390 13.473 9.412 1.00 0.00 C ATOM 391 OE1 GLN A 25 -3.981 13.210 10.459 1.00 0.00 O ATOM 392 NE2 GLN A 25 -3.185 14.714 9.004 1.00 0.00 N ATOM 0 H GLN A 25 -5.177 11.117 5.503 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.486 10.823 6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.956 12.806 6.710 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.858 11.860 7.877 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.644 11.493 9.106 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.948 12.695 8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.690 14.888 8.129 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.522 15.497 9.564 1.00 0.00 H new ATOM 401 N LEU A 26 -4.732 9.095 7.981 1.00 0.00 N ATOM 402 CA LEU A 26 -4.927 7.993 8.911 1.00 0.00 C ATOM 403 C LEU A 26 -4.259 6.728 8.393 1.00 0.00 C ATOM 404 O LEU A 26 -3.549 6.043 9.125 1.00 0.00 O ATOM 405 CB LEU A 26 -6.414 7.753 9.144 1.00 0.00 C ATOM 406 CG LEU A 26 -7.154 8.932 9.774 1.00 0.00 C ATOM 407 CD1 LEU A 26 -8.555 8.519 10.161 1.00 0.00 C ATOM 408 CD2 LEU A 26 -6.399 9.459 10.987 1.00 0.00 C ATOM 0 H LEU A 26 -5.598 9.488 7.611 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.464 8.259 9.861 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.884 7.513 8.191 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.532 6.881 9.787 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.215 9.734 9.039 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.074 9.367 10.609 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.096 8.191 9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.508 7.701 10.880 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.945 10.298 11.419 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.305 8.667 11.729 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.406 9.790 10.682 1.00 0.00 H new ATOM 420 N PHE A 27 -4.465 6.442 7.114 1.00 0.00 N ATOM 421 CA PHE A 27 -3.873 5.269 6.490 1.00 0.00 C ATOM 422 C PHE A 27 -2.356 5.402 6.389 1.00 0.00 C ATOM 423 O PHE A 27 -1.631 4.424 6.569 1.00 0.00 O ATOM 424 CB PHE A 27 -4.482 5.028 5.109 1.00 0.00 C ATOM 425 CG PHE A 27 -5.893 4.511 5.155 1.00 0.00 C ATOM 426 CD1 PHE A 27 -6.179 3.294 5.759 1.00 0.00 C ATOM 427 CD2 PHE A 27 -6.929 5.226 4.583 1.00 0.00 C ATOM 428 CE1 PHE A 27 -7.470 2.806 5.791 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.223 4.743 4.614 1.00 0.00 C ATOM 430 CZ PHE A 27 -8.493 3.532 5.218 1.00 0.00 C ATOM 0 H PHE A 27 -5.039 7.008 6.489 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.093 4.409 7.122 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.464 5.961 4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.860 4.316 4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.381 2.722 6.209 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.724 6.173 4.106 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.678 1.858 6.264 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.023 5.313 4.166 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.504 3.153 5.242 1.00 0.00 H new ATOM 440 N SER A 28 -1.876 6.615 6.127 1.00 0.00 N ATOM 441 CA SER A 28 -0.441 6.867 6.025 1.00 0.00 C ATOM 442 C SER A 28 0.261 6.613 7.357 1.00 0.00 C ATOM 443 O SER A 28 1.451 6.295 7.393 1.00 0.00 O ATOM 444 CB SER A 28 -0.181 8.305 5.574 1.00 0.00 C ATOM 445 OG SER A 28 -0.676 8.527 4.264 1.00 0.00 O ATOM 0 H SER A 28 -2.460 7.439 5.981 1.00 0.00 H new ATOM 0 HA SER A 28 -0.037 6.178 5.283 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.656 8.998 6.268 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.889 8.510 5.601 1.00 0.00 H new ATOM 0 HG SER A 28 -1.611 8.817 4.312 1.00 0.00 H new ATOM 451 N GLN A 29 -0.483 6.761 8.446 1.00 0.00 N ATOM 452 CA GLN A 29 0.050 6.519 9.777 1.00 0.00 C ATOM 453 C GLN A 29 0.222 5.018 10.017 1.00 0.00 C ATOM 454 O GLN A 29 0.987 4.598 10.885 1.00 0.00 O ATOM 455 CB GLN A 29 -0.880 7.127 10.836 1.00 0.00 C ATOM 456 CG GLN A 29 -0.337 7.044 12.252 1.00 0.00 C ATOM 457 CD GLN A 29 0.963 7.799 12.419 1.00 0.00 C ATOM 458 OE1 GLN A 29 2.044 7.252 12.204 1.00 0.00 O ATOM 459 NE2 GLN A 29 0.870 9.060 12.804 1.00 0.00 N ATOM 0 H GLN A 29 -1.461 7.049 8.431 1.00 0.00 H new ATOM 0 HA GLN A 29 1.028 6.995 9.855 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.062 8.173 10.588 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.843 6.617 10.796 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.077 7.443 12.945 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.183 5.998 12.518 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.046 9.476 12.972 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.714 9.617 12.933 1.00 0.00 H new ATOM 468 N ILE A 30 -0.482 4.212 9.234 1.00 0.00 N ATOM 469 CA ILE A 30 -0.444 2.768 9.409 1.00 0.00 C ATOM 470 C ILE A 30 0.474 2.106 8.381 1.00 0.00 C ATOM 471 O ILE A 30 1.354 1.323 8.738 1.00 0.00 O ATOM 472 CB ILE A 30 -1.853 2.146 9.300 1.00 0.00 C ATOM 473 CG1 ILE A 30 -2.844 2.873 10.222 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.801 0.663 9.642 1.00 0.00 C ATOM 475 CD1 ILE A 30 -2.486 2.806 11.692 1.00 0.00 C ATOM 0 H ILE A 30 -1.083 4.532 8.475 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.052 2.586 10.410 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.199 2.258 8.273 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.903 3.919 9.921 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.836 2.444 10.081 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.801 0.236 9.562 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.132 0.153 8.949 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.434 0.537 10.660 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.235 3.343 12.274 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.456 1.764 12.012 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.509 3.262 11.850 1.00 0.00 H new ATOM 487 N GLY A 31 0.269 2.421 7.109 1.00 0.00 N ATOM 488 CA GLY A 31 1.052 1.799 6.058 1.00 0.00 C ATOM 489 C GLY A 31 1.160 2.671 4.824 1.00 0.00 C ATOM 490 O GLY A 31 0.336 3.562 4.622 1.00 0.00 O ATOM 0 H GLY A 31 -0.425 3.095 6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.052 1.581 6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.599 0.845 5.787 1.00 0.00 H new ATOM 494 N PRO A 32 2.181 2.438 3.985 1.00 0.00 N ATOM 495 CA PRO A 32 2.386 3.190 2.743 1.00 0.00 C ATOM 496 C PRO A 32 1.215 3.028 1.778 1.00 0.00 C ATOM 497 O PRO A 32 0.896 1.916 1.345 1.00 0.00 O ATOM 498 CB PRO A 32 3.661 2.576 2.145 1.00 0.00 C ATOM 499 CG PRO A 32 4.327 1.884 3.282 1.00 0.00 C ATOM 500 CD PRO A 32 3.223 1.423 4.186 1.00 0.00 C ATOM 0 HA PRO A 32 2.467 4.261 2.927 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.424 1.877 1.343 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.306 3.344 1.718 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.922 1.041 2.931 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.005 2.557 3.806 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.872 0.427 3.918 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.546 1.378 5.226 1.00 0.00 H new ATOM 508 N CYS A 33 0.582 4.142 1.452 1.00 0.00 N ATOM 509 CA CYS A 33 -0.564 4.144 0.562 1.00 0.00 C ATOM 510 C CYS A 33 -0.116 4.071 -0.894 1.00 0.00 C ATOM 511 O CYS A 33 0.826 4.744 -1.306 1.00 0.00 O ATOM 512 CB CYS A 33 -1.394 5.404 0.805 1.00 0.00 C ATOM 513 SG CYS A 33 -1.905 5.612 2.527 1.00 0.00 S ATOM 0 H CYS A 33 0.847 5.065 1.795 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.176 3.266 0.768 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.815 6.275 0.499 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.281 5.372 0.173 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.397 6.711 3.001 1.00 0.00 H new ATOM 519 N LYS A 34 -0.790 3.220 -1.658 1.00 0.00 N ATOM 520 CA LYS A 34 -0.479 3.025 -3.068 1.00 0.00 C ATOM 521 C LYS A 34 -1.210 4.055 -3.922 1.00 0.00 C ATOM 522 O LYS A 34 -0.626 4.666 -4.816 1.00 0.00 O ATOM 523 CB LYS A 34 -0.885 1.611 -3.497 1.00 0.00 C ATOM 524 CG LYS A 34 -0.633 1.315 -4.966 1.00 0.00 C ATOM 525 CD LYS A 34 -1.247 -0.017 -5.369 1.00 0.00 C ATOM 526 CE LYS A 34 -1.020 -0.327 -6.838 1.00 0.00 C ATOM 527 NZ LYS A 34 -1.831 -1.487 -7.295 1.00 0.00 N ATOM 0 H LYS A 34 -1.564 2.648 -1.319 1.00 0.00 H new ATOM 0 HA LYS A 34 0.594 3.152 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.338 0.888 -2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.944 1.468 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.053 2.113 -5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.440 1.297 -5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.818 -0.813 -4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.317 0.000 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.271 0.549 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.037 -0.535 -7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.105 -1.349 -8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.270 -2.358 -7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.686 -1.566 -6.708 1.00 0.00 H new ATOM 541 N ASN A 35 -2.493 4.228 -3.640 1.00 0.00 N ATOM 542 CA ASN A 35 -3.323 5.202 -4.334 1.00 0.00 C ATOM 543 C ASN A 35 -4.611 5.415 -3.556 1.00 0.00 C ATOM 544 O ASN A 35 -4.924 4.647 -2.643 1.00 0.00 O ATOM 545 CB ASN A 35 -3.652 4.753 -5.769 1.00 0.00 C ATOM 546 CG ASN A 35 -4.559 3.536 -5.823 1.00 0.00 C ATOM 547 OD1 ASN A 35 -5.784 3.653 -5.762 1.00 0.00 O ATOM 548 ND2 ASN A 35 -3.969 2.365 -5.980 1.00 0.00 N ATOM 0 H ASN A 35 -2.988 3.697 -2.924 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.764 6.136 -4.398 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.129 5.577 -6.300 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.724 4.530 -6.295 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.531 1.517 -6.055 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.952 2.309 -6.026 1.00 0.00 H new ATOM 555 N CYS A 36 -5.346 6.454 -3.914 1.00 0.00 N ATOM 556 CA CYS A 36 -6.614 6.749 -3.273 1.00 0.00 C ATOM 557 C CYS A 36 -7.646 7.152 -4.314 1.00 0.00 C ATOM 558 O CYS A 36 -7.420 8.067 -5.108 1.00 0.00 O ATOM 559 CB CYS A 36 -6.442 7.862 -2.237 1.00 0.00 C ATOM 560 SG CYS A 36 -5.666 9.363 -2.881 1.00 0.00 S ATOM 0 H CYS A 36 -5.084 7.110 -4.650 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.963 5.852 -2.762 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.420 8.118 -1.830 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.842 7.483 -1.410 1.00 0.00 H new ATOM 0 HG CYS A 36 -6.570 10.283 -3.043 1.00 0.00 H new ATOM 566 N LYS A 37 -8.767 6.454 -4.330 1.00 0.00 N ATOM 567 CA LYS A 37 -9.838 6.774 -5.256 1.00 0.00 C ATOM 568 C LYS A 37 -11.146 6.982 -4.516 1.00 0.00 C ATOM 569 O LYS A 37 -11.779 6.027 -4.065 1.00 0.00 O ATOM 570 CB LYS A 37 -9.998 5.663 -6.288 1.00 0.00 C ATOM 571 CG LYS A 37 -8.792 5.502 -7.198 1.00 0.00 C ATOM 572 CD LYS A 37 -8.686 6.641 -8.198 1.00 0.00 C ATOM 573 CE LYS A 37 -9.798 6.578 -9.234 1.00 0.00 C ATOM 574 NZ LYS A 37 -9.740 5.326 -10.035 1.00 0.00 N ATOM 0 H LYS A 37 -8.959 5.664 -3.714 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.577 7.700 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.181 4.721 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.878 5.868 -6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.885 5.461 -6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.863 4.554 -7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.731 7.594 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.718 6.599 -8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.764 6.644 -8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.724 7.438 -9.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.296 5.445 -10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.751 5.117 -10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.132 4.540 -9.479 1.00 0.00 H new ATOM 588 N MET A 38 -11.546 8.233 -4.408 1.00 0.00 N ATOM 589 CA MET A 38 -12.797 8.581 -3.751 1.00 0.00 C ATOM 590 C MET A 38 -13.921 8.615 -4.768 1.00 0.00 C ATOM 591 O MET A 38 -13.970 9.501 -5.622 1.00 0.00 O ATOM 592 CB MET A 38 -12.703 9.942 -3.052 1.00 0.00 C ATOM 593 CG MET A 38 -11.642 10.016 -1.968 1.00 0.00 C ATOM 594 SD MET A 38 -11.712 11.564 -1.044 1.00 0.00 S ATOM 595 CE MET A 38 -11.519 12.758 -2.367 1.00 0.00 C ATOM 0 H MET A 38 -11.023 9.031 -4.767 1.00 0.00 H new ATOM 0 HA MET A 38 -13.000 7.821 -2.997 1.00 0.00 H new ATOM 0 HB2 MET A 38 -12.496 10.708 -3.800 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.672 10.179 -2.613 1.00 0.00 H new ATOM 0 HG2 MET A 38 -11.769 9.179 -1.281 1.00 0.00 H new ATOM 0 HG3 MET A 38 -10.656 9.910 -2.420 1.00 0.00 H new ATOM 0 HE1 MET A 38 -11.328 13.744 -1.943 1.00 0.00 H new ATOM 0 HE2 MET A 38 -10.681 12.467 -3.000 1.00 0.00 H new ATOM 0 HE3 MET A 38 -12.430 12.790 -2.964 1.00 0.00 H new ATOM 605 N ILE A 39 -14.812 7.645 -4.688 1.00 0.00 N ATOM 606 CA ILE A 39 -15.929 7.564 -5.609 1.00 0.00 C ATOM 607 C ILE A 39 -17.064 8.455 -5.124 1.00 0.00 C ATOM 608 O ILE A 39 -17.788 8.107 -4.184 1.00 0.00 O ATOM 609 CB ILE A 39 -16.436 6.112 -5.761 1.00 0.00 C ATOM 610 CG1 ILE A 39 -15.279 5.175 -6.137 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.545 6.037 -6.804 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.587 5.539 -7.435 1.00 0.00 C ATOM 0 H ILE A 39 -14.783 6.900 -3.992 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.583 7.904 -6.585 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.844 5.789 -4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.544 5.181 -5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.660 4.157 -6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.889 5.007 -6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.377 6.671 -6.497 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -17.164 6.380 -7.766 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.782 4.830 -7.630 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.307 5.505 -8.253 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.173 6.545 -7.357 1.00 0.00 H new ATOM 710 N PRO A 47 -21.476 7.328 -0.646 1.00 0.00 N ATOM 711 CA PRO A 47 -20.113 7.481 -1.184 1.00 0.00 C ATOM 712 C PRO A 47 -19.072 6.607 -0.486 1.00 0.00 C ATOM 713 O PRO A 47 -19.116 6.417 0.727 1.00 0.00 O ATOM 714 CB PRO A 47 -19.789 8.968 -0.956 1.00 0.00 C ATOM 715 CG PRO A 47 -20.922 9.520 -0.149 1.00 0.00 C ATOM 716 CD PRO A 47 -22.101 8.634 -0.418 1.00 0.00 C ATOM 0 HA PRO A 47 -20.077 7.169 -2.228 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.842 9.084 -0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.693 9.496 -1.905 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.676 9.528 0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -21.137 10.550 -0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -22.791 8.611 0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.669 8.968 -1.286 1.00 0.00 H new ATOM 724 N TYR A 48 -18.127 6.097 -1.268 1.00 0.00 N ATOM 725 CA TYR A 48 -17.094 5.205 -0.759 1.00 0.00 C ATOM 726 C TYR A 48 -15.750 5.509 -1.415 1.00 0.00 C ATOM 727 O TYR A 48 -15.690 6.214 -2.424 1.00 0.00 O ATOM 728 CB TYR A 48 -17.497 3.741 -0.992 1.00 0.00 C ATOM 729 CG TYR A 48 -17.925 3.431 -2.413 1.00 0.00 C ATOM 730 CD1 TYR A 48 -17.020 2.935 -3.342 1.00 0.00 C ATOM 731 CD2 TYR A 48 -19.238 3.628 -2.820 1.00 0.00 C ATOM 732 CE1 TYR A 48 -17.412 2.649 -4.635 1.00 0.00 C ATOM 733 CE2 TYR A 48 -19.637 3.345 -4.112 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.720 2.855 -5.015 1.00 0.00 C ATOM 735 OH TYR A 48 -19.112 2.570 -6.303 1.00 0.00 O ATOM 0 H TYR A 48 -18.056 6.289 -2.267 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.989 5.368 0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.656 3.099 -0.730 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -18.314 3.489 -0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -15.994 2.770 -3.049 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -19.960 4.009 -2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.695 2.265 -5.346 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -20.662 3.507 -4.412 1.00 0.00 H new ATOM 0 HH TYR A 48 -20.066 2.770 -6.407 1.00 0.00 H new ATOM 745 N CYS A 49 -14.679 4.985 -0.839 1.00 0.00 N ATOM 746 CA CYS A 49 -13.338 5.254 -1.327 1.00 0.00 C ATOM 747 C CYS A 49 -12.497 3.981 -1.366 1.00 0.00 C ATOM 748 O CYS A 49 -12.603 3.119 -0.492 1.00 0.00 O ATOM 749 CB CYS A 49 -12.663 6.300 -0.436 1.00 0.00 C ATOM 750 SG CYS A 49 -10.948 6.668 -0.875 1.00 0.00 S ATOM 0 H CYS A 49 -14.715 4.367 -0.028 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.416 5.637 -2.344 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.241 7.223 -0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.694 5.953 0.597 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.475 7.565 -0.061 1.00 0.00 H new ATOM 756 N PHE A 50 -11.668 3.872 -2.394 1.00 0.00 N ATOM 757 CA PHE A 50 -10.735 2.764 -2.528 1.00 0.00 C ATOM 758 C PHE A 50 -9.341 3.203 -2.103 1.00 0.00 C ATOM 759 O PHE A 50 -8.777 4.135 -2.680 1.00 0.00 O ATOM 760 CB PHE A 50 -10.694 2.261 -3.973 1.00 0.00 C ATOM 761 CG PHE A 50 -11.953 1.578 -4.412 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.200 0.267 -4.045 1.00 0.00 C ATOM 763 CD2 PHE A 50 -12.884 2.240 -5.194 1.00 0.00 C ATOM 764 CE1 PHE A 50 -13.353 -0.374 -4.448 1.00 0.00 C ATOM 765 CE2 PHE A 50 -14.042 1.605 -5.601 1.00 0.00 C ATOM 766 CZ PHE A 50 -14.277 0.297 -5.227 1.00 0.00 C ATOM 0 H PHE A 50 -11.623 4.548 -3.157 1.00 0.00 H new ATOM 0 HA PHE A 50 -11.074 1.953 -1.884 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.499 3.104 -4.636 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.859 1.569 -4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -11.481 -0.261 -3.436 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.703 3.263 -5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.533 -1.398 -4.156 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -14.762 2.131 -6.211 1.00 0.00 H new ATOM 0 HZ PHE A 50 -15.182 -0.201 -5.543 1.00 0.00 H new ATOM 776 N VAL A 51 -8.799 2.558 -1.084 1.00 0.00 N ATOM 777 CA VAL A 51 -7.453 2.869 -0.624 1.00 0.00 C ATOM 778 C VAL A 51 -6.587 1.616 -0.641 1.00 0.00 C ATOM 779 O VAL A 51 -6.846 0.664 0.089 1.00 0.00 O ATOM 780 CB VAL A 51 -7.455 3.465 0.800 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.042 3.838 1.230 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.372 4.675 0.882 1.00 0.00 C ATOM 0 H VAL A 51 -9.267 1.818 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.044 3.614 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.834 2.704 1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.066 4.256 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.412 2.948 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.635 4.577 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.355 5.076 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.030 5.439 0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.389 4.379 0.626 1.00 0.00 H new ATOM 792 N GLU A 52 -5.571 1.611 -1.485 1.00 0.00 N ATOM 793 CA GLU A 52 -4.678 0.465 -1.578 1.00 0.00 C ATOM 794 C GLU A 52 -3.400 0.703 -0.791 1.00 0.00 C ATOM 795 O GLU A 52 -2.905 1.828 -0.715 1.00 0.00 O ATOM 796 CB GLU A 52 -4.337 0.157 -3.031 1.00 0.00 C ATOM 797 CG GLU A 52 -5.518 -0.346 -3.835 1.00 0.00 C ATOM 798 CD GLU A 52 -5.121 -0.782 -5.222 1.00 0.00 C ATOM 799 OE1 GLU A 52 -4.611 -1.912 -5.373 1.00 0.00 O ATOM 800 OE2 GLU A 52 -5.305 0.009 -6.166 1.00 0.00 O ATOM 0 H GLU A 52 -5.343 2.381 -2.113 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.199 -0.391 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.944 1.058 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.544 -0.590 -3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.981 -1.183 -3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.269 0.441 -3.905 1.00 0.00 H new ATOM 807 N PHE A 53 -2.870 -0.362 -0.217 1.00 0.00 N ATOM 808 CA PHE A 53 -1.650 -0.289 0.572 1.00 0.00 C ATOM 809 C PHE A 53 -0.518 -1.046 -0.101 1.00 0.00 C ATOM 810 O PHE A 53 -0.747 -1.993 -0.855 1.00 0.00 O ATOM 811 CB PHE A 53 -1.881 -0.888 1.961 1.00 0.00 C ATOM 812 CG PHE A 53 -2.389 0.082 2.984 1.00 0.00 C ATOM 813 CD1 PHE A 53 -1.801 0.140 4.235 1.00 0.00 C ATOM 814 CD2 PHE A 53 -3.443 0.932 2.700 1.00 0.00 C ATOM 815 CE1 PHE A 53 -2.256 1.025 5.186 1.00 0.00 C ATOM 816 CE2 PHE A 53 -3.901 1.819 3.648 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.307 1.865 4.893 1.00 0.00 C ATOM 0 H PHE A 53 -3.269 -1.298 -0.283 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.377 0.763 0.659 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.592 -1.709 1.874 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.944 -1.315 2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.976 -0.517 4.468 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.910 0.899 1.727 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.790 1.060 6.160 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.725 2.478 3.418 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.667 2.560 5.637 1.00 0.00 H new ATOM 827 N HIS A 54 0.705 -0.614 0.174 1.00 0.00 N ATOM 828 CA HIS A 54 1.890 -1.379 -0.196 1.00 0.00 C ATOM 829 C HIS A 54 2.173 -2.388 0.904 1.00 0.00 C ATOM 830 O HIS A 54 3.042 -3.250 0.782 1.00 0.00 O ATOM 831 CB HIS A 54 3.110 -0.472 -0.387 1.00 0.00 C ATOM 832 CG HIS A 54 2.984 0.511 -1.508 1.00 0.00 C ATOM 833 ND1 HIS A 54 2.995 0.149 -2.836 1.00 0.00 N ATOM 834 CD2 HIS A 54 2.842 1.856 -1.489 1.00 0.00 C ATOM 835 CE1 HIS A 54 2.871 1.228 -3.584 1.00 0.00 C ATOM 836 NE2 HIS A 54 2.775 2.280 -2.793 1.00 0.00 N ATOM 0 H HIS A 54 0.904 0.264 0.653 1.00 0.00 H new ATOM 0 HA HIS A 54 1.701 -1.882 -1.144 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.290 0.074 0.539 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.986 -1.096 -0.564 1.00 0.00 H new ATOM 0 HD1 HIS A 54 3.085 -0.805 -3.187 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.791 2.481 -0.610 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.851 1.247 -4.664 1.00 0.00 H new ATOM 845 N GLU A 55 1.417 -2.249 1.984 1.00 0.00 N ATOM 846 CA GLU A 55 1.548 -3.099 3.149 1.00 0.00 C ATOM 847 C GLU A 55 0.266 -3.874 3.404 1.00 0.00 C ATOM 848 O GLU A 55 -0.667 -3.358 4.015 1.00 0.00 O ATOM 849 CB GLU A 55 1.876 -2.252 4.376 1.00 0.00 C ATOM 850 CG GLU A 55 3.337 -1.868 4.480 1.00 0.00 C ATOM 851 CD GLU A 55 4.219 -3.049 4.806 1.00 0.00 C ATOM 852 OE1 GLU A 55 3.779 -3.924 5.575 1.00 0.00 O ATOM 853 OE2 GLU A 55 5.362 -3.091 4.315 1.00 0.00 O ATOM 0 H GLU A 55 0.692 -1.537 2.073 1.00 0.00 H new ATOM 0 HA GLU A 55 2.355 -3.808 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.272 -1.345 4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.590 -2.802 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.661 -1.424 3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.456 -1.105 5.250 1.00 0.00 H new ATOM 860 N HIS A 56 0.225 -5.113 2.942 1.00 0.00 N ATOM 861 CA HIS A 56 -0.907 -5.989 3.215 1.00 0.00 C ATOM 862 C HIS A 56 -0.968 -6.292 4.707 1.00 0.00 C ATOM 863 O HIS A 56 -2.040 -6.502 5.272 1.00 0.00 O ATOM 864 CB HIS A 56 -0.786 -7.285 2.401 1.00 0.00 C ATOM 865 CG HIS A 56 -1.805 -8.334 2.744 1.00 0.00 C ATOM 866 ND1 HIS A 56 -3.047 -8.404 2.147 1.00 0.00 N ATOM 867 CD2 HIS A 56 -1.759 -9.365 3.624 1.00 0.00 C ATOM 868 CE1 HIS A 56 -3.716 -9.427 2.644 1.00 0.00 C ATOM 869 NE2 HIS A 56 -2.958 -10.027 3.538 1.00 0.00 N ATOM 0 H HIS A 56 0.961 -5.536 2.377 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.829 -5.489 2.919 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.874 -7.043 1.342 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.210 -7.701 2.551 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -3.394 -7.764 1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.933 -9.618 4.272 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -4.717 -9.722 2.365 1.00 0.00 H new ATOM 878 N ARG A 57 0.197 -6.298 5.335 1.00 0.00 N ATOM 879 CA ARG A 57 0.301 -6.542 6.766 1.00 0.00 C ATOM 880 C ARG A 57 -0.327 -5.399 7.557 1.00 0.00 C ATOM 881 O ARG A 57 -1.109 -5.621 8.480 1.00 0.00 O ATOM 882 CB ARG A 57 1.765 -6.690 7.166 1.00 0.00 C ATOM 883 CG ARG A 57 2.519 -7.734 6.365 1.00 0.00 C ATOM 884 CD ARG A 57 3.999 -7.722 6.701 1.00 0.00 C ATOM 885 NE ARG A 57 4.613 -6.419 6.444 1.00 0.00 N ATOM 886 CZ ARG A 57 5.820 -6.065 6.871 1.00 0.00 C ATOM 887 NH1 ARG A 57 6.528 -6.885 7.639 1.00 0.00 N ATOM 888 NH2 ARG A 57 6.307 -4.874 6.552 1.00 0.00 N ATOM 0 H ARG A 57 1.091 -6.135 4.872 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.235 -7.463 6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.262 -5.727 7.049 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.818 -6.949 8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.105 -8.721 6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.384 -7.546 5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.134 -7.985 7.750 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.510 -8.485 6.113 1.00 0.00 H new ATOM 0 HE ARG A 57 4.080 -5.739 5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.146 -7.793 7.904 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.454 -6.607 7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.755 -4.234 5.981 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.233 -4.598 6.878 1.00 0.00 H new ATOM 902 N HIS A 58 0.001 -4.171 7.171 1.00 0.00 N ATOM 903 CA HIS A 58 -0.463 -2.995 7.897 1.00 0.00 C ATOM 904 C HIS A 58 -1.900 -2.670 7.521 1.00 0.00 C ATOM 905 O HIS A 58 -2.587 -1.940 8.230 1.00 0.00 O ATOM 906 CB HIS A 58 0.441 -1.784 7.631 1.00 0.00 C ATOM 907 CG HIS A 58 1.743 -1.820 8.379 1.00 0.00 C ATOM 908 ND1 HIS A 58 2.974 -1.791 7.760 1.00 0.00 N ATOM 909 CD2 HIS A 58 2.000 -1.852 9.709 1.00 0.00 C ATOM 910 CE1 HIS A 58 3.925 -1.809 8.671 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.364 -1.846 9.863 1.00 0.00 N ATOM 0 H HIS A 58 0.585 -3.964 6.361 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.419 -3.223 8.962 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.649 -1.726 6.563 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -0.097 -0.875 7.901 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.267 -1.878 10.502 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.987 -1.796 8.474 1.00 0.00 H new ATOM 0 HE2 HIS A 58 3.861 -1.867 10.753 1.00 0.00 H new ATOM 920 N ALA A 59 -2.349 -3.236 6.407 1.00 0.00 N ATOM 921 CA ALA A 59 -3.720 -3.059 5.950 1.00 0.00 C ATOM 922 C ALA A 59 -4.703 -3.542 7.013 1.00 0.00 C ATOM 923 O ALA A 59 -5.755 -2.937 7.227 1.00 0.00 O ATOM 924 CB ALA A 59 -3.935 -3.811 4.647 1.00 0.00 C ATOM 0 H ALA A 59 -1.778 -3.825 5.801 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.898 -1.998 5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.963 -3.673 4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.252 -3.428 3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.744 -4.873 4.804 1.00 0.00 H new ATOM 930 N ALA A 60 -4.332 -4.624 7.691 1.00 0.00 N ATOM 931 CA ALA A 60 -5.154 -5.192 8.753 1.00 0.00 C ATOM 932 C ALA A 60 -5.280 -4.224 9.924 1.00 0.00 C ATOM 933 O ALA A 60 -6.375 -3.997 10.443 1.00 0.00 O ATOM 934 CB ALA A 60 -4.555 -6.508 9.222 1.00 0.00 C ATOM 0 H ALA A 60 -3.461 -5.127 7.522 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.153 -5.373 8.356 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.174 -6.927 10.015 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.513 -7.207 8.387 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.548 -6.335 9.601 1.00 0.00 H new ATOM 940 N ALA A 61 -4.152 -3.648 10.322 1.00 0.00 N ATOM 941 CA ALA A 61 -4.117 -2.721 11.446 1.00 0.00 C ATOM 942 C ALA A 61 -4.911 -1.459 11.135 1.00 0.00 C ATOM 943 O ALA A 61 -5.596 -0.915 12.002 1.00 0.00 O ATOM 944 CB ALA A 61 -2.677 -2.380 11.801 1.00 0.00 C ATOM 0 H ALA A 61 -3.246 -3.808 9.881 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.582 -3.204 12.306 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.664 -1.687 12.642 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.144 -3.291 12.073 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.190 -1.918 10.942 1.00 0.00 H new ATOM 950 N ALA A 62 -4.820 -1.005 9.892 1.00 0.00 N ATOM 951 CA ALA A 62 -5.561 0.169 9.453 1.00 0.00 C ATOM 952 C ALA A 62 -7.056 -0.099 9.497 1.00 0.00 C ATOM 953 O ALA A 62 -7.836 0.729 9.970 1.00 0.00 O ATOM 954 CB ALA A 62 -5.141 0.562 8.049 1.00 0.00 C ATOM 0 H ALA A 62 -4.240 -1.432 9.170 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.335 0.993 10.130 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.703 1.441 7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.075 0.790 8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.343 -0.262 7.365 1.00 0.00 H new ATOM 960 N LEU A 63 -7.443 -1.272 9.010 1.00 0.00 N ATOM 961 CA LEU A 63 -8.841 -1.667 8.967 1.00 0.00 C ATOM 962 C LEU A 63 -9.422 -1.737 10.377 1.00 0.00 C ATOM 963 O LEU A 63 -10.432 -1.103 10.669 1.00 0.00 O ATOM 964 CB LEU A 63 -8.978 -3.018 8.245 1.00 0.00 C ATOM 965 CG LEU A 63 -10.412 -3.500 7.985 1.00 0.00 C ATOM 966 CD1 LEU A 63 -10.454 -4.358 6.731 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.946 -4.292 9.173 1.00 0.00 C ATOM 0 H LEU A 63 -6.800 -1.970 8.637 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.406 -0.918 8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.460 -2.950 7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.462 -3.776 8.834 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.045 -2.624 7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.475 -4.695 6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.113 -3.772 5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.804 -5.223 6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.963 -4.622 8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.311 -5.161 9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.946 -3.660 10.061 1.00 0.00 H new ATOM 979 N ALA A 64 -8.759 -2.482 11.254 1.00 0.00 N ATOM 980 CA ALA A 64 -9.255 -2.713 12.610 1.00 0.00 C ATOM 981 C ALA A 64 -9.411 -1.414 13.402 1.00 0.00 C ATOM 982 O ALA A 64 -10.330 -1.280 14.213 1.00 0.00 O ATOM 983 CB ALA A 64 -8.332 -3.676 13.344 1.00 0.00 C ATOM 0 H ALA A 64 -7.871 -2.940 11.050 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.248 -3.154 12.525 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.708 -3.843 14.353 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.296 -4.625 12.809 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.330 -3.251 13.396 1.00 0.00 H new ATOM 989 N ALA A 65 -8.532 -0.456 13.150 1.00 0.00 N ATOM 990 CA ALA A 65 -8.517 0.785 13.916 1.00 0.00 C ATOM 991 C ALA A 65 -9.490 1.821 13.358 1.00 0.00 C ATOM 992 O ALA A 65 -9.802 2.810 14.023 1.00 0.00 O ATOM 993 CB ALA A 65 -7.110 1.355 13.946 1.00 0.00 C ATOM 0 H ALA A 65 -7.820 -0.512 12.422 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.842 0.549 14.929 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.105 2.282 14.520 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.436 0.636 14.412 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.777 1.557 12.928 1.00 0.00 H new ATOM 999 N MET A 66 -9.968 1.602 12.140 1.00 0.00 N ATOM 1000 CA MET A 66 -10.823 2.587 11.487 1.00 0.00 C ATOM 1001 C MET A 66 -12.226 2.043 11.223 1.00 0.00 C ATOM 1002 O MET A 66 -13.190 2.800 11.198 1.00 0.00 O ATOM 1003 CB MET A 66 -10.181 3.054 10.177 1.00 0.00 C ATOM 1004 CG MET A 66 -10.952 4.157 9.468 1.00 0.00 C ATOM 1005 SD MET A 66 -10.166 4.678 7.933 1.00 0.00 S ATOM 1006 CE MET A 66 -11.330 5.913 7.367 1.00 0.00 C ATOM 0 H MET A 66 -9.782 0.763 11.590 1.00 0.00 H new ATOM 0 HA MET A 66 -10.924 3.435 12.164 1.00 0.00 H new ATOM 0 HB2 MET A 66 -9.171 3.407 10.385 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.088 2.200 9.505 1.00 0.00 H new ATOM 0 HG2 MET A 66 -11.962 3.809 9.254 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.045 5.015 10.133 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.185 6.088 6.301 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.347 5.562 7.542 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.168 6.843 7.912 1.00 0.00 H new ATOM 1016 N ASN A 67 -12.343 0.736 11.031 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.629 0.126 10.682 1.00 0.00 C ATOM 1018 C ASN A 67 -14.678 0.364 11.766 1.00 0.00 C ATOM 1019 O ASN A 67 -14.540 -0.114 12.893 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.467 -1.376 10.443 1.00 0.00 C ATOM 1021 CG ASN A 67 -14.741 -2.026 9.938 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.543 -1.396 9.245 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -14.936 -3.290 10.279 1.00 0.00 N ATOM 0 H ASN A 67 -11.569 0.076 11.109 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.973 0.602 9.764 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.668 -1.541 9.720 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.161 -1.857 11.372 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -15.775 -3.779 9.967 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.247 -3.775 10.854 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.718 1.114 11.417 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.803 1.363 12.345 1.00 0.00 C ATOM 1032 C GLY A 68 -16.594 2.611 13.172 1.00 0.00 C ATOM 1033 O GLY A 68 -17.327 2.866 14.127 1.00 0.00 O ATOM 0 H GLY A 68 -15.828 1.555 10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.736 1.453 11.789 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.910 0.506 13.010 1.00 0.00 H new ATOM 1037 N ARG A 69 -15.594 3.392 12.804 1.00 0.00 N ATOM 1038 CA ARG A 69 -15.248 4.593 13.543 1.00 0.00 C ATOM 1039 C ARG A 69 -15.963 5.792 12.935 1.00 0.00 C ATOM 1040 O ARG A 69 -15.961 5.967 11.720 1.00 0.00 O ATOM 1041 CB ARG A 69 -13.731 4.780 13.495 1.00 0.00 C ATOM 1042 CG ARG A 69 -13.200 5.978 14.262 1.00 0.00 C ATOM 1043 CD ARG A 69 -11.680 5.998 14.212 1.00 0.00 C ATOM 1044 NE ARG A 69 -11.099 7.122 14.943 1.00 0.00 N ATOM 1045 CZ ARG A 69 -9.801 7.235 15.226 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -8.944 6.287 14.857 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -9.357 8.296 15.887 1.00 0.00 N ATOM 0 H ARG A 69 -15.003 3.214 11.992 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.562 4.502 14.583 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.258 3.880 13.887 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.426 4.872 12.453 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.598 6.899 13.835 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.537 5.935 15.298 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.296 5.065 14.626 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.357 6.042 13.172 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.724 7.865 15.256 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.278 5.465 14.353 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.953 6.382 15.078 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.008 9.025 16.178 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.364 8.383 16.104 1.00 0.00 H new ATOM 1061 N LYS A 70 -16.590 6.608 13.765 1.00 0.00 N ATOM 1062 CA LYS A 70 -17.297 7.771 13.254 1.00 0.00 C ATOM 1063 C LYS A 70 -16.318 8.891 12.954 1.00 0.00 C ATOM 1064 O LYS A 70 -15.586 9.347 13.834 1.00 0.00 O ATOM 1065 CB LYS A 70 -18.370 8.259 14.224 1.00 0.00 C ATOM 1066 CG LYS A 70 -19.123 9.475 13.701 1.00 0.00 C ATOM 1067 CD LYS A 70 -20.327 9.836 14.555 1.00 0.00 C ATOM 1068 CE LYS A 70 -21.412 8.776 14.480 1.00 0.00 C ATOM 1069 NZ LYS A 70 -21.307 7.785 15.581 1.00 0.00 N ATOM 0 H LYS A 70 -16.625 6.491 14.778 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.797 7.470 12.333 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.078 7.452 14.413 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.906 8.507 15.179 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.444 10.327 13.660 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -19.453 9.281 12.680 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.013 9.961 15.591 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -20.731 10.793 14.226 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.390 9.256 14.518 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -21.348 8.260 13.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -21.357 6.823 15.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.401 7.910 16.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -22.089 7.927 16.251 1.00 0.00 H new ATOM 1083 N ILE A 71 -16.310 9.314 11.704 1.00 0.00 N ATOM 1084 CA ILE A 71 -15.438 10.382 11.254 1.00 0.00 C ATOM 1085 C ILE A 71 -16.259 11.430 10.519 1.00 0.00 C ATOM 1086 O ILE A 71 -16.856 11.147 9.479 1.00 0.00 O ATOM 1087 CB ILE A 71 -14.319 9.858 10.327 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.477 8.798 11.047 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -13.437 11.008 9.852 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.383 8.196 10.189 1.00 0.00 C ATOM 0 H ILE A 71 -16.907 8.927 10.973 1.00 0.00 H new ATOM 0 HA ILE A 71 -14.965 10.821 12.132 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.782 9.396 9.455 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.026 9.246 11.932 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -14.134 8.000 11.394 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.654 10.621 9.200 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.043 11.729 9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.983 11.498 10.713 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.832 7.455 10.769 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.827 7.717 9.317 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.702 8.982 9.864 1.00 0.00 H new ATOM 1102 N MET A 72 -16.297 12.631 11.085 1.00 0.00 N ATOM 1103 CA MET A 72 -17.054 13.742 10.518 1.00 0.00 C ATOM 1104 C MET A 72 -18.537 13.407 10.421 1.00 0.00 C ATOM 1105 O MET A 72 -19.180 13.666 9.404 1.00 0.00 O ATOM 1106 CB MET A 72 -16.504 14.140 9.142 1.00 0.00 C ATOM 1107 CG MET A 72 -15.100 14.725 9.191 1.00 0.00 C ATOM 1108 SD MET A 72 -15.002 16.196 10.231 1.00 0.00 S ATOM 1109 CE MET A 72 -13.284 16.653 10.008 1.00 0.00 C ATOM 0 H MET A 72 -15.805 12.862 11.948 1.00 0.00 H new ATOM 0 HA MET A 72 -16.941 14.592 11.191 1.00 0.00 H new ATOM 0 HB2 MET A 72 -16.500 13.263 8.494 1.00 0.00 H new ATOM 0 HB3 MET A 72 -17.176 14.869 8.689 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.408 13.971 9.567 1.00 0.00 H new ATOM 0 HG3 MET A 72 -14.779 14.976 8.180 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.067 17.549 10.590 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.644 15.837 10.345 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.094 16.851 8.953 1.00 0.00 H new ATOM 1119 N GLY A 73 -19.071 12.811 11.479 1.00 0.00 N ATOM 1120 CA GLY A 73 -20.495 12.543 11.544 1.00 0.00 C ATOM 1121 C GLY A 73 -20.881 11.174 11.017 1.00 0.00 C ATOM 1122 O GLY A 73 -21.793 10.536 11.545 1.00 0.00 O ATOM 0 H GLY A 73 -18.542 12.507 12.296 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -20.826 12.631 12.579 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -21.026 13.305 10.974 1.00 0.00 H new ATOM 1126 N LYS A 74 -20.195 10.716 9.982 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.544 9.455 9.346 1.00 0.00 C ATOM 1128 C LYS A 74 -19.720 8.303 9.892 1.00 0.00 C ATOM 1129 O LYS A 74 -18.570 8.478 10.299 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.368 9.552 7.834 1.00 0.00 C ATOM 1131 CG LYS A 74 -21.456 10.366 7.161 1.00 0.00 C ATOM 1132 CD LYS A 74 -22.794 9.642 7.168 1.00 0.00 C ATOM 1133 CE LYS A 74 -22.799 8.449 6.222 1.00 0.00 C ATOM 1134 NZ LYS A 74 -22.632 8.865 4.803 1.00 0.00 N ATOM 0 H LYS A 74 -19.397 11.196 9.566 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.591 9.255 9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.399 10.000 7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -20.358 8.548 7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -21.559 11.324 7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -21.165 10.581 6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -23.019 9.304 8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -23.584 10.336 6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -21.996 7.765 6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -23.736 7.902 6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -22.875 8.070 4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -23.260 9.669 4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.645 9.146 4.638 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.331 7.133 9.904 1.00 0.00 N ATOM 1149 CA GLU A 75 -19.667 5.921 10.351 1.00 0.00 C ATOM 1150 C GLU A 75 -18.950 5.265 9.181 1.00 0.00 C ATOM 1151 O GLU A 75 -19.591 4.723 8.280 1.00 0.00 O ATOM 1152 CB GLU A 75 -20.682 4.938 10.934 1.00 0.00 C ATOM 1153 CG GLU A 75 -21.527 5.506 12.058 1.00 0.00 C ATOM 1154 CD GLU A 75 -22.521 4.495 12.582 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -23.559 4.276 11.921 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -22.262 3.905 13.652 1.00 0.00 O ATOM 0 H GLU A 75 -21.297 6.995 9.606 1.00 0.00 H new ATOM 0 HA GLU A 75 -18.946 6.187 11.123 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -21.342 4.599 10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -20.150 4.061 11.303 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -20.878 5.832 12.871 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -22.060 6.388 11.702 1.00 0.00 H new ATOM 1163 N VAL A 76 -17.629 5.308 9.199 1.00 0.00 N ATOM 1164 CA VAL A 76 -16.844 4.722 8.127 1.00 0.00 C ATOM 1165 C VAL A 76 -16.840 3.208 8.245 1.00 0.00 C ATOM 1166 O VAL A 76 -16.880 2.658 9.351 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.387 5.231 8.135 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.349 6.748 8.096 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -14.642 4.701 9.345 1.00 0.00 C ATOM 0 H VAL A 76 -17.079 5.741 9.941 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.308 5.023 7.188 1.00 0.00 H new ATOM 0 HB VAL A 76 -14.888 4.858 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.313 7.086 8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -15.840 7.101 7.189 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.866 7.147 8.968 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.617 5.071 9.332 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.138 5.039 10.255 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.635 3.611 9.319 1.00 0.00 H new ATOM 1179 N LYS A 77 -16.819 2.531 7.115 1.00 0.00 N ATOM 1180 CA LYS A 77 -16.745 1.084 7.114 1.00 0.00 C ATOM 1181 C LYS A 77 -15.595 0.618 6.247 1.00 0.00 C ATOM 1182 O LYS A 77 -15.589 0.834 5.039 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.061 0.483 6.629 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.260 0.964 7.423 1.00 0.00 C ATOM 1185 CD LYS A 77 -20.527 0.241 7.009 1.00 0.00 C ATOM 1186 CE LYS A 77 -21.755 0.833 7.684 1.00 0.00 C ATOM 1187 NZ LYS A 77 -21.712 0.673 9.162 1.00 0.00 N ATOM 0 H LYS A 77 -16.852 2.957 6.189 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.569 0.744 8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.203 0.735 5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.003 -0.604 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.081 0.806 8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.388 2.037 7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.643 0.299 5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.444 -0.815 7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.829 1.892 7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.651 0.351 7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.611 0.997 9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.565 -0.329 9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -20.930 1.239 9.550 1.00 0.00 H new ATOM 1201 N VAL A 78 -14.627 -0.021 6.875 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.435 -0.475 6.183 1.00 0.00 C ATOM 1203 C VAL A 78 -13.516 -1.976 5.965 1.00 0.00 C ATOM 1204 O VAL A 78 -13.540 -2.753 6.920 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.150 -0.133 6.965 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -10.913 -0.494 6.154 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.133 1.340 7.343 1.00 0.00 C ATOM 0 H VAL A 78 -14.643 -0.239 7.871 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.387 0.042 5.225 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.139 -0.723 7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.018 -0.244 6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.919 -1.562 5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.915 0.066 5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.220 1.564 7.894 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.170 1.948 6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.998 1.565 7.967 1.00 0.00 H new ATOM 1217 N ASN A 79 -13.587 -2.371 4.710 1.00 0.00 N ATOM 1218 CA ASN A 79 -13.762 -3.767 4.357 1.00 0.00 C ATOM 1219 C ASN A 79 -12.597 -4.239 3.507 1.00 0.00 C ATOM 1220 O ASN A 79 -11.893 -3.425 2.905 1.00 0.00 O ATOM 1221 CB ASN A 79 -15.070 -3.952 3.580 1.00 0.00 C ATOM 1222 CG ASN A 79 -16.267 -3.333 4.280 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -16.925 -3.973 5.099 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -16.562 -2.081 3.956 1.00 0.00 N ATOM 0 H ASN A 79 -13.526 -1.740 3.911 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.801 -4.357 5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -14.965 -3.507 2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.252 -5.017 3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -17.359 -1.616 4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.992 -1.583 3.272 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.390 -5.545 3.464 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.365 -6.122 2.609 1.00 0.00 C ATOM 1233 C TRP A 80 -11.872 -6.184 1.177 1.00 0.00 C ATOM 1234 O TRP A 80 -12.680 -7.052 0.837 1.00 0.00 O ATOM 1235 CB TRP A 80 -10.978 -7.525 3.083 1.00 0.00 C ATOM 1236 CG TRP A 80 -10.259 -7.544 4.398 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -10.793 -7.836 5.620 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -8.871 -7.266 4.620 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -9.823 -7.751 6.590 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -8.635 -7.403 6.003 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -7.805 -6.916 3.787 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -7.378 -7.200 6.567 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -6.557 -6.714 4.350 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -6.354 -6.856 5.727 1.00 0.00 C ATOM 0 H TRP A 80 -12.918 -6.225 4.011 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.479 -5.489 2.659 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -11.880 -8.132 3.164 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.346 -7.992 2.328 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -11.826 -8.096 5.798 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -9.965 -7.920 7.586 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -7.952 -6.805 2.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -7.217 -7.310 7.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -5.726 -6.442 3.716 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -5.368 -6.691 6.136 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.417 -5.252 0.350 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.844 -5.201 -1.038 1.00 0.00 C ATOM 1257 C ALA A 81 -11.216 -6.340 -1.823 1.00 0.00 C ATOM 1258 O ALA A 81 -10.105 -6.222 -2.345 1.00 0.00 O ATOM 1259 CB ALA A 81 -11.494 -3.857 -1.660 1.00 0.00 C ATOM 0 H ALA A 81 -10.754 -4.524 0.617 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.928 -5.315 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.823 -3.840 -2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.993 -3.060 -1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.415 -3.707 -1.618 1.00 0.00 H new