USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 843 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 75 GLN : amide:sc= -1.7! C(o=-1.7!,f=-6.3!) USER MOD Set 1.2: A 82 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 14:sc= 0.435 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -160:sc= -0.13 (180deg=-0.765) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -65:sc= 0.637 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -3.92! C(o=-3.9!,f=-17!) USER MOD Single : A 28 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.829 K(o=0.83,f=-0.88) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0471) USER MOD Single : A 47 THR OG1 : rot 130:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.331 K(o=-0.33,f=-1.1) USER MOD Single : A 54 GLN : amide:sc= -0.733 X(o=-0.73,f=-0.73) USER MOD Single : A 56 MET CE :methyl 157:sc= -1.39 (180deg=-2.45!) USER MOD Single : A 57 TYR OH : rot -45:sc= 0.15 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -11.7! C(o=-12!,f=-12!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0.951 (180deg=0.81) USER MOD Single : A 67 THR OG1 : rot 138:sc= 0.517 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.5!) USER MOD Single : A 83 CYS SG : rot 180:sc= -2.24 USER MOD Single : A 86 TYR OH : rot -96:sc= 1.68 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 148:sc= -0.206 USER MOD Single : A 93 LYS NZ :NH3+ -143:sc= 0.266 (180deg=-0.155) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 170:sc= -1.46 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 38:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.308 -15.744 -4.857 1.00 0.00 N ATOM 2 CA GLY A 1 -20.665 -15.558 -3.461 1.00 0.00 C ATOM 3 C GLY A 1 -20.289 -14.154 -2.982 1.00 0.00 C ATOM 4 O GLY A 1 -19.149 -13.915 -2.586 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.573 -16.704 -5.158 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.813 -15.046 -5.440 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.283 -15.616 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.736 -15.716 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.157 -16.303 -2.849 1.00 0.00 H new ATOM 8 N SER A 2 -21.268 -13.264 -3.033 1.00 0.00 N ATOM 9 CA SER A 2 -21.054 -11.890 -2.609 1.00 0.00 C ATOM 10 C SER A 2 -21.214 -11.780 -1.091 1.00 0.00 C ATOM 11 O SER A 2 -22.111 -12.391 -0.512 1.00 0.00 O ATOM 12 CB SER A 2 -22.022 -10.939 -3.315 1.00 0.00 C ATOM 13 OG SER A 2 -21.747 -10.835 -4.709 1.00 0.00 O ATOM 0 H SER A 2 -22.212 -13.467 -3.361 1.00 0.00 H new ATOM 0 HA SER A 2 -20.039 -11.601 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.044 -11.290 -3.172 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.958 -9.951 -2.858 1.00 0.00 H new ATOM 0 HG SER A 2 -22.388 -10.220 -5.124 1.00 0.00 H new ATOM 19 N SER A 3 -20.330 -10.998 -0.490 1.00 0.00 N ATOM 20 CA SER A 3 -20.362 -10.800 0.949 1.00 0.00 C ATOM 21 C SER A 3 -19.535 -9.569 1.326 1.00 0.00 C ATOM 22 O SER A 3 -18.355 -9.484 0.991 1.00 0.00 O ATOM 23 CB SER A 3 -19.842 -12.035 1.686 1.00 0.00 C ATOM 24 OG SER A 3 -18.436 -12.201 1.525 1.00 0.00 O ATOM 0 H SER A 3 -19.587 -10.494 -0.973 1.00 0.00 H new ATOM 0 HA SER A 3 -21.397 -10.640 1.250 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.078 -11.950 2.747 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.356 -12.922 1.315 1.00 0.00 H new ATOM 0 HG SER A 3 -18.049 -11.377 1.163 1.00 0.00 H new ATOM 30 N GLY A 4 -20.187 -8.647 2.019 1.00 0.00 N ATOM 31 CA GLY A 4 -19.527 -7.425 2.445 1.00 0.00 C ATOM 32 C GLY A 4 -19.299 -6.483 1.261 1.00 0.00 C ATOM 33 O GLY A 4 -19.027 -6.933 0.149 1.00 0.00 O ATOM 0 H GLY A 4 -21.166 -8.722 2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.133 -6.925 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.572 -7.667 2.911 1.00 0.00 H new ATOM 37 N SER A 5 -19.416 -5.193 1.541 1.00 0.00 N ATOM 38 CA SER A 5 -19.226 -4.184 0.513 1.00 0.00 C ATOM 39 C SER A 5 -17.896 -3.460 0.731 1.00 0.00 C ATOM 40 O SER A 5 -17.303 -3.553 1.805 1.00 0.00 O ATOM 41 CB SER A 5 -20.381 -3.181 0.505 1.00 0.00 C ATOM 42 OG SER A 5 -20.857 -2.925 -0.814 1.00 0.00 O ATOM 0 H SER A 5 -19.640 -4.824 2.465 1.00 0.00 H new ATOM 0 HA SER A 5 -19.207 -4.682 -0.456 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.198 -3.564 1.117 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.053 -2.246 0.960 1.00 0.00 H new ATOM 0 HG SER A 5 -21.595 -2.281 -0.776 1.00 0.00 H new ATOM 48 N SER A 6 -17.465 -2.757 -0.306 1.00 0.00 N ATOM 49 CA SER A 6 -16.216 -2.017 -0.242 1.00 0.00 C ATOM 50 C SER A 6 -15.060 -2.969 0.073 1.00 0.00 C ATOM 51 O SER A 6 -14.896 -3.395 1.215 1.00 0.00 O ATOM 52 CB SER A 6 -16.288 -0.905 0.806 1.00 0.00 C ATOM 53 OG SER A 6 -17.275 0.070 0.483 1.00 0.00 O ATOM 0 H SER A 6 -17.959 -2.684 -1.196 1.00 0.00 H new ATOM 0 HA SER A 6 -16.043 -1.553 -1.213 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.513 -1.339 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.315 -0.422 0.889 1.00 0.00 H new ATOM 0 HG SER A 6 -17.291 0.762 1.177 1.00 0.00 H new ATOM 59 N GLY A 7 -14.289 -3.275 -0.961 1.00 0.00 N ATOM 60 CA GLY A 7 -13.154 -4.168 -0.809 1.00 0.00 C ATOM 61 C GLY A 7 -11.924 -3.411 -0.304 1.00 0.00 C ATOM 62 O GLY A 7 -12.047 -2.322 0.254 1.00 0.00 O ATOM 0 H GLY A 7 -14.429 -2.920 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.406 -4.966 -0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.928 -4.640 -1.765 1.00 0.00 H new ATOM 66 N MET A 8 -10.766 -4.018 -0.517 1.00 0.00 N ATOM 67 CA MET A 8 -9.515 -3.415 -0.091 1.00 0.00 C ATOM 68 C MET A 8 -8.842 -2.672 -1.246 1.00 0.00 C ATOM 69 O MET A 8 -9.083 -2.981 -2.412 1.00 0.00 O ATOM 70 CB MET A 8 -8.575 -4.503 0.433 1.00 0.00 C ATOM 71 CG MET A 8 -8.646 -4.601 1.958 1.00 0.00 C ATOM 72 SD MET A 8 -7.343 -5.662 2.562 1.00 0.00 S ATOM 73 CE MET A 8 -7.797 -7.194 1.766 1.00 0.00 C ATOM 0 H MET A 8 -10.668 -4.922 -0.979 1.00 0.00 H new ATOM 0 HA MET A 8 -9.731 -2.697 0.700 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.842 -5.463 -0.009 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.552 -4.284 0.126 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.552 -3.609 2.399 1.00 0.00 H new ATOM 0 HG3 MET A 8 -9.616 -4.994 2.261 1.00 0.00 H new ATOM 0 HE1 MET A 8 -7.329 -8.028 2.289 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.880 -7.311 1.793 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.459 -7.180 0.730 1.00 0.00 H new ATOM 83 N VAL A 9 -8.011 -1.706 -0.883 1.00 0.00 N ATOM 84 CA VAL A 9 -7.301 -0.916 -1.875 1.00 0.00 C ATOM 85 C VAL A 9 -5.977 -0.431 -1.282 1.00 0.00 C ATOM 86 O VAL A 9 -5.965 0.289 -0.285 1.00 0.00 O ATOM 87 CB VAL A 9 -8.190 0.227 -2.367 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.347 1.417 -2.831 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.128 -0.247 -3.479 1.00 0.00 C ATOM 0 H VAL A 9 -7.813 -1.452 0.085 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.063 -1.524 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.804 0.558 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.004 2.216 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.740 1.779 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.696 1.105 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.749 0.585 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.539 -0.618 -4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.765 -1.047 -3.101 1.00 0.00 H new ATOM 99 N ILE A 10 -4.892 -0.845 -1.922 1.00 0.00 N ATOM 100 CA ILE A 10 -3.565 -0.462 -1.470 1.00 0.00 C ATOM 101 C ILE A 10 -3.251 0.951 -1.967 1.00 0.00 C ATOM 102 O ILE A 10 -2.610 1.120 -3.003 1.00 0.00 O ATOM 103 CB ILE A 10 -2.532 -1.507 -1.895 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.839 -2.868 -1.267 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.112 -1.036 -1.575 1.00 0.00 C ATOM 106 CD1 ILE A 10 -2.920 -2.763 0.258 1.00 0.00 C ATOM 0 H ILE A 10 -4.905 -1.441 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.526 -0.434 -0.381 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.595 -1.629 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.782 -3.249 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.065 -3.584 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.397 -1.797 -1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.908 -0.107 -2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.018 -0.868 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.139 -3.744 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.968 -2.405 0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.711 -2.065 0.533 1.00 0.00 H new ATOM 118 N ARG A 11 -3.716 1.929 -1.204 1.00 0.00 N ATOM 119 CA ARG A 11 -3.492 3.322 -1.554 1.00 0.00 C ATOM 120 C ARG A 11 -1.996 3.639 -1.540 1.00 0.00 C ATOM 121 O ARG A 11 -1.413 3.852 -0.478 1.00 0.00 O ATOM 122 CB ARG A 11 -4.214 4.257 -0.581 1.00 0.00 C ATOM 123 CG ARG A 11 -5.731 4.082 -0.676 1.00 0.00 C ATOM 124 CD ARG A 11 -6.454 5.048 0.264 1.00 0.00 C ATOM 125 NE ARG A 11 -6.148 6.446 -0.114 1.00 0.00 N ATOM 126 CZ ARG A 11 -6.826 7.139 -1.039 1.00 0.00 C ATOM 127 NH1 ARG A 11 -7.851 6.568 -1.687 1.00 0.00 N ATOM 128 NH2 ARG A 11 -6.478 8.403 -1.318 1.00 0.00 N ATOM 0 H ARG A 11 -4.247 1.785 -0.345 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.891 3.480 -2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.884 4.053 0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.949 5.291 -0.801 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.057 4.255 -1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.999 3.056 -0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.530 4.877 0.218 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.146 4.865 1.294 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.373 6.911 0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.115 5.606 -1.476 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.367 7.096 -2.391 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.697 8.837 -0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.994 8.930 -2.022 1.00 0.00 H new ATOM 142 N VAL A 12 -1.416 3.659 -2.731 1.00 0.00 N ATOM 143 CA VAL A 12 0.001 3.947 -2.869 1.00 0.00 C ATOM 144 C VAL A 12 0.187 5.429 -3.198 1.00 0.00 C ATOM 145 O VAL A 12 -0.119 5.865 -4.307 1.00 0.00 O ATOM 146 CB VAL A 12 0.624 3.019 -3.914 1.00 0.00 C ATOM 147 CG1 VAL A 12 2.073 3.416 -4.206 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.534 1.557 -3.473 1.00 0.00 C ATOM 0 H VAL A 12 -1.902 3.480 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 12 0.523 3.755 -1.931 1.00 0.00 H new ATOM 0 HB VAL A 12 0.055 3.125 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.492 2.741 -4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.101 4.438 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.659 3.353 -3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.984 0.919 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.066 1.428 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.512 1.281 -3.340 1.00 0.00 H new ATOM 158 N PHE A 13 0.688 6.163 -2.215 1.00 0.00 N ATOM 159 CA PHE A 13 0.918 7.587 -2.386 1.00 0.00 C ATOM 160 C PHE A 13 2.137 7.842 -3.275 1.00 0.00 C ATOM 161 O PHE A 13 3.203 7.270 -3.053 1.00 0.00 O ATOM 162 CB PHE A 13 1.185 8.168 -0.996 1.00 0.00 C ATOM 163 CG PHE A 13 -0.075 8.363 -0.151 1.00 0.00 C ATOM 164 CD1 PHE A 13 -0.959 7.340 -0.001 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.312 9.560 0.450 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.129 7.522 0.784 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.482 9.742 1.234 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.365 8.719 1.385 1.00 0.00 C ATOM 0 H PHE A 13 0.941 5.798 -1.297 1.00 0.00 H new ATOM 0 HA PHE A 13 0.052 8.049 -2.860 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.869 7.508 -0.463 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.689 9.128 -1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.771 6.390 -0.479 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.390 10.372 0.331 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.831 6.710 0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.670 10.693 1.710 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.254 8.857 1.982 1.00 0.00 H new ATOM 178 N ILE A 14 1.939 8.702 -4.264 1.00 0.00 N ATOM 179 CA ILE A 14 3.008 9.040 -5.187 1.00 0.00 C ATOM 180 C ILE A 14 2.989 10.547 -5.454 1.00 0.00 C ATOM 181 O ILE A 14 1.929 11.170 -5.439 1.00 0.00 O ATOM 182 CB ILE A 14 2.910 8.190 -6.456 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.615 8.487 -7.215 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.056 6.702 -6.131 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.913 9.050 -8.607 1.00 0.00 C ATOM 0 H ILE A 14 1.054 9.175 -4.446 1.00 0.00 H new ATOM 0 HA ILE A 14 3.978 8.806 -4.748 1.00 0.00 H new ATOM 0 HB ILE A 14 3.737 8.459 -7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.025 7.575 -7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.014 9.200 -6.651 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.983 6.120 -7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.026 6.525 -5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.264 6.400 -5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.976 9.253 -9.126 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.482 9.975 -8.511 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.493 8.324 -9.176 1.00 0.00 H new ATOM 197 N ALA A 15 4.175 11.089 -5.691 1.00 0.00 N ATOM 198 CA ALA A 15 4.308 12.510 -5.961 1.00 0.00 C ATOM 199 C ALA A 15 4.870 12.708 -7.370 1.00 0.00 C ATOM 200 O ALA A 15 6.083 12.806 -7.550 1.00 0.00 O ATOM 201 CB ALA A 15 5.187 13.153 -4.887 1.00 0.00 C ATOM 0 H ALA A 15 5.052 10.569 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 15 3.335 13.000 -5.923 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.287 14.219 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.729 13.011 -3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.173 12.688 -4.897 1.00 0.00 H new ATOM 207 N SER A 16 3.961 12.760 -8.333 1.00 0.00 N ATOM 208 CA SER A 16 4.351 12.944 -9.720 1.00 0.00 C ATOM 209 C SER A 16 4.947 14.340 -9.916 1.00 0.00 C ATOM 210 O SER A 16 4.338 15.193 -10.560 1.00 0.00 O ATOM 211 CB SER A 16 3.161 12.738 -10.659 1.00 0.00 C ATOM 212 OG SER A 16 3.565 12.247 -11.934 1.00 0.00 O ATOM 0 H SER A 16 2.956 12.678 -8.180 1.00 0.00 H new ATOM 0 HA SER A 16 5.106 12.196 -9.965 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.459 12.037 -10.206 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.631 13.682 -10.785 1.00 0.00 H new ATOM 0 HG SER A 16 2.776 12.127 -12.503 1.00 0.00 H new ATOM 218 N SER A 17 6.129 14.529 -9.348 1.00 0.00 N ATOM 219 CA SER A 17 6.813 15.807 -9.452 1.00 0.00 C ATOM 220 C SER A 17 8.162 15.738 -8.734 1.00 0.00 C ATOM 221 O SER A 17 9.147 16.309 -9.199 1.00 0.00 O ATOM 222 CB SER A 17 5.960 16.937 -8.873 1.00 0.00 C ATOM 223 OG SER A 17 6.445 18.221 -9.253 1.00 0.00 O ATOM 0 H SER A 17 6.630 13.819 -8.814 1.00 0.00 H new ATOM 0 HA SER A 17 6.981 16.020 -10.508 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.930 16.824 -9.212 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.948 16.861 -7.786 1.00 0.00 H new ATOM 0 HG SER A 17 5.872 18.915 -8.865 1.00 0.00 H new ATOM 229 N SER A 18 8.163 15.034 -7.612 1.00 0.00 N ATOM 230 CA SER A 18 9.375 14.883 -6.824 1.00 0.00 C ATOM 231 C SER A 18 10.562 14.584 -7.743 1.00 0.00 C ATOM 232 O SER A 18 10.648 13.500 -8.318 1.00 0.00 O ATOM 233 CB SER A 18 9.220 13.776 -5.780 1.00 0.00 C ATOM 234 OG SER A 18 8.755 12.559 -6.358 1.00 0.00 O ATOM 0 H SER A 18 7.344 14.562 -7.229 1.00 0.00 H new ATOM 0 HA SER A 18 9.558 15.819 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.178 13.602 -5.291 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.522 14.101 -5.008 1.00 0.00 H new ATOM 0 HG SER A 18 7.850 12.689 -6.710 1.00 0.00 H new ATOM 240 N GLY A 19 11.447 15.564 -7.851 1.00 0.00 N ATOM 241 CA GLY A 19 12.625 15.419 -8.690 1.00 0.00 C ATOM 242 C GLY A 19 13.273 14.047 -8.493 1.00 0.00 C ATOM 243 O GLY A 19 13.522 13.329 -9.460 1.00 0.00 O ATOM 0 H GLY A 19 11.372 16.461 -7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.349 15.548 -9.736 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.344 16.202 -8.452 1.00 0.00 H new ATOM 247 N PHE A 20 13.526 13.723 -7.233 1.00 0.00 N ATOM 248 CA PHE A 20 14.140 12.449 -6.897 1.00 0.00 C ATOM 249 C PHE A 20 13.618 11.333 -7.804 1.00 0.00 C ATOM 250 O PHE A 20 12.514 10.830 -7.603 1.00 0.00 O ATOM 251 CB PHE A 20 13.756 12.136 -5.450 1.00 0.00 C ATOM 252 CG PHE A 20 14.387 13.076 -4.421 1.00 0.00 C ATOM 253 CD1 PHE A 20 15.613 12.793 -3.904 1.00 0.00 C ATOM 254 CD2 PHE A 20 13.722 14.194 -4.023 1.00 0.00 C ATOM 255 CE1 PHE A 20 16.199 13.665 -2.949 1.00 0.00 C ATOM 256 CE2 PHE A 20 14.308 15.066 -3.068 1.00 0.00 C ATOM 257 CZ PHE A 20 15.534 14.784 -2.551 1.00 0.00 C ATOM 0 H PHE A 20 13.317 14.320 -6.433 1.00 0.00 H new ATOM 0 HA PHE A 20 15.220 12.510 -7.027 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.671 12.185 -5.354 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.051 11.112 -5.220 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.141 11.905 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.748 14.418 -4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.172 13.440 -2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 20 13.780 15.954 -2.752 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.980 15.448 -1.825 1.00 0.00 H new ATOM 267 N VAL A 21 14.438 10.978 -8.783 1.00 0.00 N ATOM 268 CA VAL A 21 14.073 9.930 -9.721 1.00 0.00 C ATOM 269 C VAL A 21 13.952 8.601 -8.973 1.00 0.00 C ATOM 270 O VAL A 21 13.007 7.845 -9.192 1.00 0.00 O ATOM 271 CB VAL A 21 15.084 9.881 -10.869 1.00 0.00 C ATOM 272 CG1 VAL A 21 16.437 9.356 -10.385 1.00 0.00 C ATOM 273 CG2 VAL A 21 14.552 9.039 -12.031 1.00 0.00 C ATOM 0 H VAL A 21 15.353 11.397 -8.947 1.00 0.00 H new ATOM 0 HA VAL A 21 13.102 10.139 -10.169 1.00 0.00 H new ATOM 0 HB VAL A 21 15.230 10.898 -11.232 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.137 9.331 -11.220 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.824 10.012 -9.606 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.315 8.350 -9.984 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.289 9.020 -12.834 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.364 8.022 -11.687 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.624 9.475 -12.401 1.00 0.00 H new ATOM 283 N ALA A 22 14.924 8.356 -8.106 1.00 0.00 N ATOM 284 CA ALA A 22 14.938 7.131 -7.324 1.00 0.00 C ATOM 285 C ALA A 22 13.527 6.844 -6.808 1.00 0.00 C ATOM 286 O ALA A 22 13.040 5.720 -6.914 1.00 0.00 O ATOM 287 CB ALA A 22 15.958 7.260 -6.192 1.00 0.00 C ATOM 0 H ALA A 22 15.707 8.985 -7.928 1.00 0.00 H new ATOM 0 HA ALA A 22 15.241 6.285 -7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.969 6.341 -5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.948 7.433 -6.613 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.685 8.097 -5.550 1.00 0.00 H new ATOM 293 N ILE A 23 12.909 7.881 -6.260 1.00 0.00 N ATOM 294 CA ILE A 23 11.564 7.754 -5.727 1.00 0.00 C ATOM 295 C ILE A 23 10.645 7.175 -6.805 1.00 0.00 C ATOM 296 O ILE A 23 9.962 6.178 -6.573 1.00 0.00 O ATOM 297 CB ILE A 23 11.082 9.093 -5.164 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.969 9.550 -4.004 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.607 9.021 -4.763 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.515 10.910 -3.469 1.00 0.00 C ATOM 0 H ILE A 23 13.316 8.812 -6.174 1.00 0.00 H new ATOM 0 HA ILE A 23 11.551 7.058 -4.888 1.00 0.00 H new ATOM 0 HB ILE A 23 11.165 9.844 -5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.936 8.811 -3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 23 13.005 9.614 -4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.290 9.986 -4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.004 8.772 -5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.474 8.254 -4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.162 11.211 -2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.572 11.652 -4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.487 10.837 -3.115 1.00 0.00 H new ATOM 312 N LYS A 24 10.658 7.824 -7.960 1.00 0.00 N ATOM 313 CA LYS A 24 9.835 7.385 -9.074 1.00 0.00 C ATOM 314 C LYS A 24 9.986 5.873 -9.250 1.00 0.00 C ATOM 315 O LYS A 24 9.004 5.135 -9.178 1.00 0.00 O ATOM 316 CB LYS A 24 10.167 8.187 -10.334 1.00 0.00 C ATOM 317 CG LYS A 24 9.043 9.169 -10.671 1.00 0.00 C ATOM 318 CD LYS A 24 9.061 9.535 -12.156 1.00 0.00 C ATOM 319 CE LYS A 24 8.909 11.044 -12.351 1.00 0.00 C ATOM 320 NZ LYS A 24 7.886 11.334 -13.380 1.00 0.00 N ATOM 0 H LYS A 24 11.225 8.650 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 24 8.782 7.579 -8.869 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.099 8.732 -10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.324 7.507 -11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.080 8.727 -10.413 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.151 10.071 -10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.995 9.199 -12.606 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.254 9.015 -12.672 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.627 11.512 -11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.865 11.476 -12.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.796 12.363 -13.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.171 10.904 -14.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.972 10.939 -13.081 1.00 0.00 H new ATOM 334 N LYS A 25 11.223 5.456 -9.477 1.00 0.00 N ATOM 335 CA LYS A 25 11.515 4.045 -9.664 1.00 0.00 C ATOM 336 C LYS A 25 10.776 3.231 -8.600 1.00 0.00 C ATOM 337 O LYS A 25 10.024 2.314 -8.927 1.00 0.00 O ATOM 338 CB LYS A 25 13.027 3.809 -9.679 1.00 0.00 C ATOM 339 CG LYS A 25 13.638 4.257 -11.008 1.00 0.00 C ATOM 340 CD LYS A 25 14.454 3.129 -11.644 1.00 0.00 C ATOM 341 CE LYS A 25 15.847 3.618 -12.043 1.00 0.00 C ATOM 342 NZ LYS A 25 16.804 2.489 -12.070 1.00 0.00 N ATOM 0 H LYS A 25 12.035 6.071 -9.536 1.00 0.00 H new ATOM 0 HA LYS A 25 11.153 3.706 -10.634 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.492 4.355 -8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.235 2.751 -9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.846 4.567 -11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.277 5.125 -10.845 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.543 2.300 -10.942 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.933 2.749 -12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.806 4.091 -13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.189 4.376 -11.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.745 2.838 -12.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.856 2.055 -11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.485 1.780 -12.760 1.00 0.00 H new ATOM 356 N LYS A 26 11.016 3.595 -7.349 1.00 0.00 N ATOM 357 CA LYS A 26 10.382 2.909 -6.236 1.00 0.00 C ATOM 358 C LYS A 26 8.862 3.010 -6.379 1.00 0.00 C ATOM 359 O LYS A 26 8.149 2.030 -6.168 1.00 0.00 O ATOM 360 CB LYS A 26 10.911 3.446 -4.905 1.00 0.00 C ATOM 361 CG LYS A 26 12.429 3.279 -4.811 1.00 0.00 C ATOM 362 CD LYS A 26 13.004 4.122 -3.670 1.00 0.00 C ATOM 363 CE LYS A 26 14.496 3.840 -3.479 1.00 0.00 C ATOM 364 NZ LYS A 26 14.994 4.500 -2.251 1.00 0.00 N ATOM 0 H LYS A 26 11.641 4.356 -7.081 1.00 0.00 H new ATOM 0 HA LYS A 26 10.634 1.849 -6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.651 4.500 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.432 2.919 -4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.674 2.229 -4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.890 3.574 -5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.855 5.180 -3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.468 3.905 -2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.664 2.765 -3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.054 4.199 -4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.008 4.299 -2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.851 5.527 -2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.473 4.138 -1.427 1.00 0.00 H new ATOM 378 N GLN A 27 8.411 4.203 -6.736 1.00 0.00 N ATOM 379 CA GLN A 27 6.989 4.445 -6.910 1.00 0.00 C ATOM 380 C GLN A 27 6.410 3.481 -7.947 1.00 0.00 C ATOM 381 O GLN A 27 5.227 3.146 -7.896 1.00 0.00 O ATOM 382 CB GLN A 27 6.724 5.899 -7.304 1.00 0.00 C ATOM 383 CG GLN A 27 6.943 6.838 -6.116 1.00 0.00 C ATOM 384 CD GLN A 27 6.422 8.243 -6.424 1.00 0.00 C ATOM 385 OE1 GLN A 27 5.942 8.959 -5.560 1.00 0.00 O ATOM 386 NE2 GLN A 27 6.541 8.597 -7.701 1.00 0.00 N ATOM 0 H GLN A 27 9.006 5.013 -6.910 1.00 0.00 H new ATOM 0 HA GLN A 27 6.490 4.265 -5.957 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.384 6.183 -8.123 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.702 6.000 -7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.435 6.442 -5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.005 6.885 -5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.952 7.950 -8.373 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.221 9.516 -8.007 1.00 0.00 H new ATOM 395 N GLN A 28 7.269 3.063 -8.865 1.00 0.00 N ATOM 396 CA GLN A 28 6.858 2.145 -9.913 1.00 0.00 C ATOM 397 C GLN A 28 6.915 0.702 -9.407 1.00 0.00 C ATOM 398 O GLN A 28 5.916 -0.014 -9.449 1.00 0.00 O ATOM 399 CB GLN A 28 7.718 2.321 -11.165 1.00 0.00 C ATOM 400 CG GLN A 28 7.366 3.620 -11.894 1.00 0.00 C ATOM 401 CD GLN A 28 6.752 3.330 -13.265 1.00 0.00 C ATOM 402 OE1 GLN A 28 5.576 3.035 -13.397 1.00 0.00 O ATOM 403 NE2 GLN A 28 7.612 3.430 -14.275 1.00 0.00 N ATOM 0 H GLN A 28 8.249 3.344 -8.905 1.00 0.00 H new ATOM 0 HA GLN A 28 5.828 2.374 -10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.772 2.329 -10.888 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.571 1.473 -11.834 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.666 4.200 -11.293 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.263 4.228 -12.014 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.584 3.681 -14.094 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.299 3.255 -15.230 1.00 0.00 H new ATOM 412 N ASP A 29 8.094 0.319 -8.940 1.00 0.00 N ATOM 413 CA ASP A 29 8.294 -1.025 -8.426 1.00 0.00 C ATOM 414 C ASP A 29 7.056 -1.455 -7.637 1.00 0.00 C ATOM 415 O ASP A 29 6.705 -2.634 -7.619 1.00 0.00 O ATOM 416 CB ASP A 29 9.498 -1.081 -7.483 1.00 0.00 C ATOM 417 CG ASP A 29 10.109 -2.471 -7.296 1.00 0.00 C ATOM 418 OD1 ASP A 29 9.497 -3.434 -7.808 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.173 -2.540 -6.644 1.00 0.00 O ATOM 0 H ASP A 29 8.920 0.916 -8.907 1.00 0.00 H new ATOM 0 HA ASP A 29 8.469 -1.687 -9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.269 -0.410 -7.862 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.195 -0.700 -6.508 1.00 0.00 H new ATOM 424 N VAL A 30 6.427 -0.476 -7.004 1.00 0.00 N ATOM 425 CA VAL A 30 5.235 -0.738 -6.216 1.00 0.00 C ATOM 426 C VAL A 30 4.101 -1.177 -7.144 1.00 0.00 C ATOM 427 O VAL A 30 3.923 -2.369 -7.391 1.00 0.00 O ATOM 428 CB VAL A 30 4.880 0.493 -5.379 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.541 0.302 -4.664 1.00 0.00 C ATOM 430 CG2 VAL A 30 5.993 0.817 -4.381 1.00 0.00 C ATOM 0 H VAL A 30 6.721 0.501 -7.021 1.00 0.00 H new ATOM 0 HA VAL A 30 5.413 -1.552 -5.513 1.00 0.00 H new ATOM 0 HB VAL A 30 4.780 1.341 -6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.312 1.191 -4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.754 0.142 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.601 -0.564 -4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.715 1.696 -3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.139 -0.030 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.919 1.017 -4.921 1.00 0.00 H new ATOM 440 N VAL A 31 3.364 -0.191 -7.633 1.00 0.00 N ATOM 441 CA VAL A 31 2.252 -0.461 -8.529 1.00 0.00 C ATOM 442 C VAL A 31 2.624 -1.613 -9.464 1.00 0.00 C ATOM 443 O VAL A 31 1.917 -2.618 -9.529 1.00 0.00 O ATOM 444 CB VAL A 31 1.862 0.815 -9.278 1.00 0.00 C ATOM 445 CG1 VAL A 31 3.047 1.779 -9.373 1.00 0.00 C ATOM 446 CG2 VAL A 31 1.310 0.488 -10.667 1.00 0.00 C ATOM 0 H VAL A 31 3.515 0.796 -7.426 1.00 0.00 H new ATOM 0 HA VAL A 31 1.373 -0.772 -7.964 1.00 0.00 H new ATOM 0 HB VAL A 31 1.073 1.308 -8.711 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.743 2.678 -9.910 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.377 2.050 -8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.866 1.297 -9.907 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.040 1.412 -11.178 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.069 -0.039 -11.245 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.427 -0.143 -10.568 1.00 0.00 H new ATOM 456 N ARG A 32 3.734 -1.430 -10.164 1.00 0.00 N ATOM 457 CA ARG A 32 4.208 -2.442 -11.093 1.00 0.00 C ATOM 458 C ARG A 32 3.948 -3.841 -10.531 1.00 0.00 C ATOM 459 O ARG A 32 3.214 -4.628 -11.129 1.00 0.00 O ATOM 460 CB ARG A 32 5.705 -2.280 -11.366 1.00 0.00 C ATOM 461 CG ARG A 32 5.970 -1.074 -12.269 1.00 0.00 C ATOM 462 CD ARG A 32 6.380 -1.520 -13.674 1.00 0.00 C ATOM 463 NE ARG A 32 6.889 -0.363 -14.444 1.00 0.00 N ATOM 464 CZ ARG A 32 7.647 -0.467 -15.544 1.00 0.00 C ATOM 465 NH1 ARG A 32 7.988 -1.676 -16.010 1.00 0.00 N ATOM 466 NH2 ARG A 32 8.064 0.637 -16.178 1.00 0.00 N ATOM 0 H ARG A 32 4.319 -0.596 -10.107 1.00 0.00 H new ATOM 0 HA ARG A 32 3.663 -2.315 -12.029 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.239 -2.158 -10.424 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.092 -3.184 -11.837 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.075 -0.455 -12.327 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.757 -0.457 -11.836 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.148 -2.291 -13.610 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.526 -1.962 -14.188 1.00 0.00 H new ATOM 0 HE ARG A 32 6.648 0.572 -14.117 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.671 -2.517 -15.527 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.565 -1.756 -16.847 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.805 1.558 -15.823 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.641 0.557 -17.015 1.00 0.00 H new ATOM 480 N PHE A 33 4.563 -4.110 -9.389 1.00 0.00 N ATOM 481 CA PHE A 33 4.407 -5.400 -8.740 1.00 0.00 C ATOM 482 C PHE A 33 2.928 -5.756 -8.575 1.00 0.00 C ATOM 483 O PHE A 33 2.537 -6.906 -8.766 1.00 0.00 O ATOM 484 CB PHE A 33 5.050 -5.286 -7.357 1.00 0.00 C ATOM 485 CG PHE A 33 5.149 -6.615 -6.605 1.00 0.00 C ATOM 486 CD1 PHE A 33 4.042 -7.153 -6.025 1.00 0.00 C ATOM 487 CD2 PHE A 33 6.344 -7.258 -6.515 1.00 0.00 C ATOM 488 CE1 PHE A 33 4.134 -8.386 -5.328 1.00 0.00 C ATOM 489 CE2 PHE A 33 6.436 -8.492 -5.818 1.00 0.00 C ATOM 490 CZ PHE A 33 5.329 -9.029 -5.238 1.00 0.00 C ATOM 0 H PHE A 33 5.171 -3.456 -8.896 1.00 0.00 H new ATOM 0 HA PHE A 33 4.875 -6.178 -9.343 1.00 0.00 H new ATOM 0 HB2 PHE A 33 6.050 -4.867 -7.466 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.473 -4.583 -6.756 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.093 -6.642 -6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.223 -6.830 -6.974 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.255 -8.814 -4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.384 -9.004 -5.749 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.399 -9.966 -4.706 1.00 0.00 H new ATOM 500 N LEU A 34 2.146 -4.746 -8.220 1.00 0.00 N ATOM 501 CA LEU A 34 0.719 -4.938 -8.026 1.00 0.00 C ATOM 502 C LEU A 34 0.059 -5.225 -9.377 1.00 0.00 C ATOM 503 O LEU A 34 -0.588 -6.256 -9.549 1.00 0.00 O ATOM 504 CB LEU A 34 0.113 -3.743 -7.288 1.00 0.00 C ATOM 505 CG LEU A 34 0.823 -3.320 -6.000 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.451 -1.887 -5.614 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.542 -4.310 -4.868 1.00 0.00 C ATOM 0 H LEU A 34 2.474 -3.793 -8.062 1.00 0.00 H new ATOM 0 HA LEU A 34 0.534 -5.804 -7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.098 -2.891 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.924 -3.977 -7.048 1.00 0.00 H new ATOM 0 HG LEU A 34 1.898 -3.336 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.969 -1.611 -4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.744 -1.207 -6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.626 -1.820 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.058 -3.986 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.531 -4.351 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.898 -5.300 -5.154 1.00 0.00 H new ATOM 519 N GLU A 35 0.247 -4.294 -10.301 1.00 0.00 N ATOM 520 CA GLU A 35 -0.322 -4.434 -11.630 1.00 0.00 C ATOM 521 C GLU A 35 0.030 -5.802 -12.217 1.00 0.00 C ATOM 522 O GLU A 35 -0.849 -6.530 -12.675 1.00 0.00 O ATOM 523 CB GLU A 35 0.150 -3.306 -12.550 1.00 0.00 C ATOM 524 CG GLU A 35 -0.600 -2.006 -12.253 1.00 0.00 C ATOM 525 CD GLU A 35 -2.065 -2.108 -12.683 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.315 -2.813 -13.684 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.902 -1.478 -12.001 1.00 0.00 O ATOM 0 H GLU A 35 0.785 -3.440 -10.155 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.407 -4.363 -11.548 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.221 -3.150 -12.420 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.007 -3.591 -13.590 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.545 -1.785 -11.187 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.121 -1.178 -12.775 1.00 0.00 H new ATOM 534 N ALA A 36 1.318 -6.111 -12.184 1.00 0.00 N ATOM 535 CA ALA A 36 1.797 -7.380 -12.707 1.00 0.00 C ATOM 536 C ALA A 36 1.100 -8.525 -11.971 1.00 0.00 C ATOM 537 O ALA A 36 1.027 -9.642 -12.481 1.00 0.00 O ATOM 538 CB ALA A 36 3.320 -7.444 -12.575 1.00 0.00 C ATOM 0 H ALA A 36 2.045 -5.505 -11.803 1.00 0.00 H new ATOM 0 HA ALA A 36 1.557 -7.474 -13.766 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.680 -8.395 -12.967 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.769 -6.626 -13.139 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.598 -7.356 -11.525 1.00 0.00 H new ATOM 544 N ASN A 37 0.604 -8.209 -10.784 1.00 0.00 N ATOM 545 CA ASN A 37 -0.085 -9.198 -9.973 1.00 0.00 C ATOM 546 C ASN A 37 -1.572 -8.846 -9.900 1.00 0.00 C ATOM 547 O ASN A 37 -2.255 -9.211 -8.945 1.00 0.00 O ATOM 548 CB ASN A 37 0.465 -9.221 -8.545 1.00 0.00 C ATOM 549 CG ASN A 37 1.751 -10.046 -8.466 1.00 0.00 C ATOM 550 OD1 ASN A 37 1.754 -11.204 -8.084 1.00 0.00 O ATOM 551 ND2 ASN A 37 2.841 -9.386 -8.848 1.00 0.00 N ATOM 0 H ASN A 37 0.666 -7.281 -10.364 1.00 0.00 H new ATOM 0 HA ASN A 37 0.066 -10.174 -10.434 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.661 -8.202 -8.211 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.282 -9.640 -7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.750 -9.849 -8.832 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.768 -8.417 -9.157 1.00 0.00 H new ATOM 558 N LYS A 38 -2.031 -8.140 -10.924 1.00 0.00 N ATOM 559 CA LYS A 38 -3.424 -7.734 -10.988 1.00 0.00 C ATOM 560 C LYS A 38 -3.936 -7.457 -9.573 1.00 0.00 C ATOM 561 O LYS A 38 -5.072 -7.796 -9.243 1.00 0.00 O ATOM 562 CB LYS A 38 -4.250 -8.773 -11.749 1.00 0.00 C ATOM 563 CG LYS A 38 -4.006 -10.178 -11.197 1.00 0.00 C ATOM 564 CD LYS A 38 -4.810 -10.412 -9.916 1.00 0.00 C ATOM 565 CE LYS A 38 -5.253 -11.872 -9.805 1.00 0.00 C ATOM 566 NZ LYS A 38 -4.076 -12.768 -9.748 1.00 0.00 N ATOM 0 H LYS A 38 -1.462 -7.839 -11.715 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.525 -6.806 -11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.309 -8.527 -11.673 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.991 -8.744 -12.807 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.284 -10.920 -11.946 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.944 -10.313 -10.994 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.205 -10.145 -9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.684 -9.761 -9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.863 -12.006 -8.912 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.877 -12.135 -10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.384 -13.731 -9.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.604 -12.780 -10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.412 -12.423 -9.025 1.00 0.00 H new ATOM 580 N ILE A 39 -3.074 -6.843 -8.776 1.00 0.00 N ATOM 581 CA ILE A 39 -3.425 -6.517 -7.404 1.00 0.00 C ATOM 582 C ILE A 39 -4.213 -5.206 -7.381 1.00 0.00 C ATOM 583 O ILE A 39 -3.978 -4.322 -8.205 1.00 0.00 O ATOM 584 CB ILE A 39 -2.176 -6.500 -6.521 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.786 -7.917 -6.095 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.367 -5.572 -5.319 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.491 -7.908 -5.281 1.00 0.00 C ATOM 0 H ILE A 39 -2.133 -6.563 -9.054 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.073 -7.286 -6.984 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.348 -6.101 -7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.589 -8.356 -5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.661 -8.544 -6.978 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.465 -5.578 -4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.561 -4.558 -5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.212 -5.918 -4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.236 -8.927 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.315 -7.490 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.627 -7.300 -4.387 1.00 0.00 H new ATOM 599 N GLU A 40 -5.131 -5.119 -6.430 1.00 0.00 N ATOM 600 CA GLU A 40 -5.954 -3.930 -6.290 1.00 0.00 C ATOM 601 C GLU A 40 -5.195 -2.847 -5.520 1.00 0.00 C ATOM 602 O GLU A 40 -4.572 -3.128 -4.498 1.00 0.00 O ATOM 603 CB GLU A 40 -7.282 -4.260 -5.605 1.00 0.00 C ATOM 604 CG GLU A 40 -7.135 -4.232 -4.082 1.00 0.00 C ATOM 605 CD GLU A 40 -8.091 -5.226 -3.421 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.265 -5.256 -3.849 1.00 0.00 O ATOM 607 OE2 GLU A 40 -7.626 -5.935 -2.502 1.00 0.00 O ATOM 0 H GLU A 40 -5.323 -5.853 -5.748 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.181 -3.550 -7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.043 -3.543 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.624 -5.245 -5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.108 -4.472 -3.808 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.337 -3.227 -3.712 1.00 0.00 H new ATOM 614 N PHE A 41 -5.271 -1.632 -6.042 1.00 0.00 N ATOM 615 CA PHE A 41 -4.599 -0.505 -5.418 1.00 0.00 C ATOM 616 C PHE A 41 -4.913 0.798 -6.155 1.00 0.00 C ATOM 617 O PHE A 41 -5.619 0.791 -7.162 1.00 0.00 O ATOM 618 CB PHE A 41 -3.096 -0.777 -5.504 1.00 0.00 C ATOM 619 CG PHE A 41 -2.505 -0.565 -6.899 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.053 0.664 -7.266 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.431 -1.605 -7.772 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.504 0.861 -8.561 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.882 -1.408 -9.067 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.430 -0.179 -9.434 1.00 0.00 C ATOM 0 H PHE A 41 -5.788 -1.403 -6.891 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.934 -0.397 -4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.578 -0.127 -4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.904 -1.803 -5.191 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.111 1.490 -6.573 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.790 -2.581 -7.481 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.145 1.837 -8.852 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.824 -2.234 -9.760 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.012 -0.029 -10.419 1.00 0.00 H new ATOM 634 N GLU A 42 -4.373 1.885 -5.625 1.00 0.00 N ATOM 635 CA GLU A 42 -4.586 3.194 -6.220 1.00 0.00 C ATOM 636 C GLU A 42 -3.370 4.091 -5.981 1.00 0.00 C ATOM 637 O GLU A 42 -2.732 4.010 -4.932 1.00 0.00 O ATOM 638 CB GLU A 42 -5.861 3.842 -5.677 1.00 0.00 C ATOM 639 CG GLU A 42 -5.681 4.267 -4.219 1.00 0.00 C ATOM 640 CD GLU A 42 -6.816 5.192 -3.773 1.00 0.00 C ATOM 641 OE1 GLU A 42 -7.831 4.650 -3.284 1.00 0.00 O ATOM 642 OE2 GLU A 42 -6.644 6.419 -3.933 1.00 0.00 O ATOM 0 H GLU A 42 -3.788 1.887 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.712 3.066 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.119 4.710 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.692 3.141 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.654 3.384 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.724 4.776 -4.100 1.00 0.00 H new ATOM 649 N GLU A 43 -3.086 4.925 -6.970 1.00 0.00 N ATOM 650 CA GLU A 43 -1.958 5.836 -6.880 1.00 0.00 C ATOM 651 C GLU A 43 -2.417 7.199 -6.359 1.00 0.00 C ATOM 652 O GLU A 43 -2.772 8.080 -7.141 1.00 0.00 O ATOM 653 CB GLU A 43 -1.255 5.974 -8.232 1.00 0.00 C ATOM 654 CG GLU A 43 -0.447 4.718 -8.561 1.00 0.00 C ATOM 655 CD GLU A 43 -0.986 4.031 -9.817 1.00 0.00 C ATOM 656 OE1 GLU A 43 -2.180 3.660 -9.793 1.00 0.00 O ATOM 657 OE2 GLU A 43 -0.193 3.893 -10.773 1.00 0.00 O ATOM 0 H GLU A 43 -3.618 4.989 -7.838 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.238 5.423 -6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.994 6.150 -9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.595 6.841 -8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.600 4.983 -8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.485 4.026 -7.719 1.00 0.00 H new ATOM 664 N VAL A 44 -2.395 7.331 -5.041 1.00 0.00 N ATOM 665 CA VAL A 44 -2.805 8.572 -4.406 1.00 0.00 C ATOM 666 C VAL A 44 -1.782 9.665 -4.725 1.00 0.00 C ATOM 667 O VAL A 44 -0.884 9.931 -3.929 1.00 0.00 O ATOM 668 CB VAL A 44 -2.996 8.353 -2.904 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.264 9.678 -2.186 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.118 7.348 -2.635 1.00 0.00 C ATOM 0 H VAL A 44 -2.100 6.599 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.767 8.902 -4.798 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.070 7.937 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.396 9.494 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.419 10.351 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.168 10.134 -2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.233 7.210 -1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.051 7.724 -3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.870 6.393 -3.098 1.00 0.00 H new ATOM 680 N ASP A 45 -1.954 10.269 -5.892 1.00 0.00 N ATOM 681 CA ASP A 45 -1.058 11.327 -6.326 1.00 0.00 C ATOM 682 C ASP A 45 -1.044 12.440 -5.277 1.00 0.00 C ATOM 683 O ASP A 45 -1.948 13.274 -5.239 1.00 0.00 O ATOM 684 CB ASP A 45 -1.522 11.932 -7.652 1.00 0.00 C ATOM 685 CG ASP A 45 -0.534 12.903 -8.301 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.221 13.541 -7.535 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.555 12.987 -9.548 1.00 0.00 O ATOM 0 H ASP A 45 -2.701 10.046 -6.550 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.065 10.896 -6.454 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.725 11.122 -8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.465 12.453 -7.486 1.00 0.00 H new ATOM 692 N ILE A 46 -0.008 12.418 -4.451 1.00 0.00 N ATOM 693 CA ILE A 46 0.135 13.416 -3.404 1.00 0.00 C ATOM 694 C ILE A 46 0.502 14.761 -4.034 1.00 0.00 C ATOM 695 O ILE A 46 0.247 15.814 -3.451 1.00 0.00 O ATOM 696 CB ILE A 46 1.131 12.941 -2.344 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.565 13.001 -2.874 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.766 11.546 -1.834 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.545 12.380 -1.876 1.00 0.00 C ATOM 0 H ILE A 46 0.740 11.725 -4.485 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.810 13.557 -2.880 1.00 0.00 H new ATOM 0 HB ILE A 46 1.073 13.619 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.627 12.474 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.843 14.038 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.490 11.233 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.230 11.569 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.777 10.840 -2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.557 12.436 -2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.498 12.925 -0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.279 11.337 -1.706 1.00 0.00 H new ATOM 711 N THR A 47 1.094 14.683 -5.217 1.00 0.00 N ATOM 712 CA THR A 47 1.498 15.881 -5.932 1.00 0.00 C ATOM 713 C THR A 47 0.269 16.646 -6.428 1.00 0.00 C ATOM 714 O THR A 47 0.203 17.868 -6.305 1.00 0.00 O ATOM 715 CB THR A 47 2.448 15.463 -7.056 1.00 0.00 C ATOM 716 OG1 THR A 47 3.643 16.191 -6.790 1.00 0.00 O ATOM 717 CG2 THR A 47 1.997 15.975 -8.425 1.00 0.00 C ATOM 0 H THR A 47 1.303 13.808 -5.698 1.00 0.00 H new ATOM 0 HA THR A 47 2.030 16.572 -5.278 1.00 0.00 H new ATOM 0 HB THR A 47 2.523 14.376 -7.082 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.409 15.580 -6.806 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.706 15.650 -9.187 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.009 15.576 -8.655 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.954 17.064 -8.410 1.00 0.00 H new ATOM 725 N MET A 48 -0.674 15.895 -6.979 1.00 0.00 N ATOM 726 CA MET A 48 -1.896 16.487 -7.494 1.00 0.00 C ATOM 727 C MET A 48 -2.762 17.033 -6.357 1.00 0.00 C ATOM 728 O MET A 48 -3.289 18.141 -6.450 1.00 0.00 O ATOM 729 CB MET A 48 -2.684 15.433 -8.275 1.00 0.00 C ATOM 730 CG MET A 48 -2.049 15.177 -9.643 1.00 0.00 C ATOM 731 SD MET A 48 -2.537 16.453 -10.791 1.00 0.00 S ATOM 732 CE MET A 48 -0.949 17.197 -11.121 1.00 0.00 C ATOM 0 H MET A 48 -0.616 14.882 -7.080 1.00 0.00 H new ATOM 0 HA MET A 48 -1.628 17.314 -8.151 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.718 14.504 -7.706 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.714 15.766 -8.405 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.963 15.155 -9.551 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.356 14.201 -10.019 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.072 18.019 -11.826 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.525 17.576 -10.191 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.279 16.450 -11.547 1.00 0.00 H new ATOM 742 N SER A 49 -2.883 16.231 -5.310 1.00 0.00 N ATOM 743 CA SER A 49 -3.676 16.620 -4.156 1.00 0.00 C ATOM 744 C SER A 49 -2.761 16.902 -2.963 1.00 0.00 C ATOM 745 O SER A 49 -2.100 15.997 -2.455 1.00 0.00 O ATOM 746 CB SER A 49 -4.696 15.537 -3.798 1.00 0.00 C ATOM 747 OG SER A 49 -5.672 15.364 -4.822 1.00 0.00 O ATOM 0 H SER A 49 -2.445 15.313 -5.236 1.00 0.00 H new ATOM 0 HA SER A 49 -4.224 17.528 -4.408 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.178 14.593 -3.628 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.193 15.801 -2.864 1.00 0.00 H new ATOM 0 HG SER A 49 -6.304 14.663 -4.557 1.00 0.00 H new ATOM 753 N GLU A 50 -2.751 18.161 -2.550 1.00 0.00 N ATOM 754 CA GLU A 50 -1.928 18.573 -1.426 1.00 0.00 C ATOM 755 C GLU A 50 -2.336 17.814 -0.162 1.00 0.00 C ATOM 756 O GLU A 50 -1.503 17.172 0.477 1.00 0.00 O ATOM 757 CB GLU A 50 -2.014 20.085 -1.209 1.00 0.00 C ATOM 758 CG GLU A 50 -0.995 20.549 -0.166 1.00 0.00 C ATOM 759 CD GLU A 50 -0.131 21.687 -0.711 1.00 0.00 C ATOM 760 OE1 GLU A 50 -0.709 22.565 -1.387 1.00 0.00 O ATOM 761 OE2 GLU A 50 1.089 21.654 -0.440 1.00 0.00 O ATOM 0 H GLU A 50 -3.300 18.909 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.890 18.330 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.835 20.602 -2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.019 20.353 -0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.515 20.881 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.360 19.712 0.124 1.00 0.00 H new ATOM 768 N GLU A 51 -3.617 17.912 0.161 1.00 0.00 N ATOM 769 CA GLU A 51 -4.146 17.242 1.337 1.00 0.00 C ATOM 770 C GLU A 51 -3.542 15.842 1.467 1.00 0.00 C ATOM 771 O GLU A 51 -2.870 15.541 2.452 1.00 0.00 O ATOM 772 CB GLU A 51 -5.674 17.178 1.291 1.00 0.00 C ATOM 773 CG GLU A 51 -6.258 17.026 2.697 1.00 0.00 C ATOM 774 CD GLU A 51 -7.530 16.174 2.673 1.00 0.00 C ATOM 775 OE1 GLU A 51 -8.539 16.677 2.133 1.00 0.00 O ATOM 776 OE2 GLU A 51 -7.463 15.041 3.195 1.00 0.00 O ATOM 0 H GLU A 51 -4.304 18.445 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.866 17.820 2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.066 18.083 0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.988 16.339 0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.520 16.566 3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.482 18.010 3.110 1.00 0.00 H new ATOM 783 N GLN A 52 -3.803 15.024 0.458 1.00 0.00 N ATOM 784 CA GLN A 52 -3.294 13.663 0.447 1.00 0.00 C ATOM 785 C GLN A 52 -1.883 13.619 1.038 1.00 0.00 C ATOM 786 O GLN A 52 -1.622 12.868 1.976 1.00 0.00 O ATOM 787 CB GLN A 52 -3.314 13.081 -0.968 1.00 0.00 C ATOM 788 CG GLN A 52 -4.748 12.938 -1.482 1.00 0.00 C ATOM 789 CD GLN A 52 -5.612 12.163 -0.485 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.190 11.188 0.115 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.842 12.648 -0.343 1.00 0.00 N ATOM 0 H GLN A 52 -4.360 15.278 -0.358 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.946 13.047 1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.746 13.726 -1.638 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.824 12.107 -0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.178 13.925 -1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.744 12.423 -2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.132 13.468 -0.876 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.496 12.200 0.299 1.00 0.00 H new ATOM 800 N ARG A 53 -1.010 14.434 0.464 1.00 0.00 N ATOM 801 CA ARG A 53 0.367 14.498 0.922 1.00 0.00 C ATOM 802 C ARG A 53 0.415 14.830 2.415 1.00 0.00 C ATOM 803 O ARG A 53 1.064 14.128 3.190 1.00 0.00 O ATOM 804 CB ARG A 53 1.157 15.554 0.146 1.00 0.00 C ATOM 805 CG ARG A 53 2.664 15.339 0.307 1.00 0.00 C ATOM 806 CD ARG A 53 3.448 16.180 -0.703 1.00 0.00 C ATOM 807 NE ARG A 53 4.027 17.365 -0.032 1.00 0.00 N ATOM 808 CZ ARG A 53 4.649 18.363 -0.675 1.00 0.00 C ATOM 809 NH1 ARG A 53 4.775 18.325 -2.009 1.00 0.00 N ATOM 810 NH2 ARG A 53 5.144 19.400 0.015 1.00 0.00 N ATOM 0 H ARG A 53 -1.230 15.056 -0.314 1.00 0.00 H new ATOM 0 HA ARG A 53 0.820 13.522 0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.890 15.510 -0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.888 16.549 0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.967 15.605 1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.901 14.284 0.170 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.241 15.581 -1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.791 16.495 -1.514 1.00 0.00 H new ATOM 0 HE ARG A 53 3.948 17.426 0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.397 17.537 -2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.248 19.085 -2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.047 19.430 1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.617 20.159 -0.475 1.00 0.00 H new ATOM 824 N GLN A 54 -0.280 15.899 2.773 1.00 0.00 N ATOM 825 CA GLN A 54 -0.324 16.333 4.159 1.00 0.00 C ATOM 826 C GLN A 54 -0.722 15.167 5.067 1.00 0.00 C ATOM 827 O GLN A 54 0.005 14.825 5.999 1.00 0.00 O ATOM 828 CB GLN A 54 -1.280 17.515 4.334 1.00 0.00 C ATOM 829 CG GLN A 54 -0.646 18.812 3.828 1.00 0.00 C ATOM 830 CD GLN A 54 0.724 19.040 4.471 1.00 0.00 C ATOM 831 OE1 GLN A 54 0.844 19.328 5.651 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.746 18.897 3.633 1.00 0.00 N ATOM 0 H GLN A 54 -0.817 16.478 2.127 1.00 0.00 H new ATOM 0 HA GLN A 54 0.672 16.669 4.446 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.205 17.322 3.791 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.544 17.621 5.386 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.541 18.771 2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.302 19.653 4.053 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.575 18.655 2.657 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.701 19.029 3.966 1.00 0.00 H new ATOM 841 N TRP A 55 -1.875 14.590 4.764 1.00 0.00 N ATOM 842 CA TRP A 55 -2.379 13.470 5.541 1.00 0.00 C ATOM 843 C TRP A 55 -1.246 12.453 5.693 1.00 0.00 C ATOM 844 O TRP A 55 -0.947 12.012 6.801 1.00 0.00 O ATOM 845 CB TRP A 55 -3.633 12.876 4.898 1.00 0.00 C ATOM 846 CG TRP A 55 -4.292 11.770 5.724 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.373 11.861 6.512 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.867 10.394 5.813 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.674 10.649 7.100 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.729 9.729 6.661 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.790 9.733 5.198 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.603 8.369 6.971 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.677 8.374 5.517 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.536 7.690 6.369 1.00 0.00 C ATOM 0 H TRP A 55 -2.475 14.877 3.991 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.689 13.798 6.533 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.358 13.674 4.734 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.372 12.477 3.918 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.937 12.769 6.667 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.447 10.463 7.739 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.103 10.234 4.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.291 7.871 7.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -1.866 7.819 5.070 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.381 6.639 6.566 1.00 0.00 H new ATOM 865 N MET A 56 -0.646 12.110 4.562 1.00 0.00 N ATOM 866 CA MET A 56 0.447 11.152 4.555 1.00 0.00 C ATOM 867 C MET A 56 1.491 11.505 5.616 1.00 0.00 C ATOM 868 O MET A 56 1.924 10.642 6.378 1.00 0.00 O ATOM 869 CB MET A 56 1.106 11.140 3.175 1.00 0.00 C ATOM 870 CG MET A 56 1.942 9.873 2.978 1.00 0.00 C ATOM 871 SD MET A 56 2.792 9.940 1.410 1.00 0.00 S ATOM 872 CE MET A 56 3.870 11.333 1.700 1.00 0.00 C ATOM 0 H MET A 56 -0.896 12.478 3.644 1.00 0.00 H new ATOM 0 HA MET A 56 0.043 10.166 4.783 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.340 11.199 2.402 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.740 12.020 3.063 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.664 9.774 3.788 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.299 8.994 3.015 1.00 0.00 H new ATOM 0 HE1 MET A 56 4.728 11.275 1.030 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.326 12.259 1.513 1.00 0.00 H new ATOM 0 HE3 MET A 56 4.215 11.317 2.734 1.00 0.00 H new ATOM 882 N TYR A 57 1.866 12.776 5.633 1.00 0.00 N ATOM 883 CA TYR A 57 2.851 13.254 6.588 1.00 0.00 C ATOM 884 C TYR A 57 2.310 13.179 8.017 1.00 0.00 C ATOM 885 O TYR A 57 3.052 13.382 8.977 1.00 0.00 O ATOM 886 CB TYR A 57 3.110 14.719 6.230 1.00 0.00 C ATOM 887 CG TYR A 57 4.010 14.911 5.007 1.00 0.00 C ATOM 888 CD1 TYR A 57 4.209 13.867 4.127 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.622 16.128 4.786 1.00 0.00 C ATOM 890 CE1 TYR A 57 5.056 14.048 2.976 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.469 16.308 3.635 1.00 0.00 C ATOM 892 CZ TYR A 57 5.645 15.260 2.787 1.00 0.00 C ATOM 893 OH TYR A 57 6.445 15.430 1.701 1.00 0.00 O ATOM 0 H TYR A 57 1.505 13.490 5.000 1.00 0.00 H new ATOM 0 HA TYR A 57 3.755 12.647 6.543 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.155 15.212 6.047 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.566 15.216 7.086 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.730 12.915 4.301 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.466 16.945 5.475 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.220 13.240 2.279 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.954 17.255 3.450 1.00 0.00 H new ATOM 0 HH TYR A 57 7.042 14.658 1.611 1.00 0.00 H new ATOM 903 N LYS A 58 1.022 12.886 8.114 1.00 0.00 N ATOM 904 CA LYS A 58 0.373 12.781 9.410 1.00 0.00 C ATOM 905 C LYS A 58 0.240 11.305 9.791 1.00 0.00 C ATOM 906 O LYS A 58 -0.154 10.983 10.911 1.00 0.00 O ATOM 907 CB LYS A 58 -0.957 13.538 9.406 1.00 0.00 C ATOM 908 CG LYS A 58 -0.738 15.030 9.146 1.00 0.00 C ATOM 909 CD LYS A 58 -1.672 15.879 10.010 1.00 0.00 C ATOM 910 CE LYS A 58 -2.015 17.197 9.313 1.00 0.00 C ATOM 911 NZ LYS A 58 -3.396 17.614 9.644 1.00 0.00 N ATOM 0 H LYS A 58 0.410 12.718 7.316 1.00 0.00 H new ATOM 0 HA LYS A 58 0.981 13.256 10.180 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.613 13.124 8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.460 13.402 10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.298 15.292 9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.912 15.249 8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.587 15.324 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.199 16.084 10.971 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.312 17.971 9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.912 17.082 8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.613 18.510 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.064 16.882 9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.483 17.743 10.672 1.00 0.00 H new ATOM 925 N ASN A 59 0.576 10.448 8.838 1.00 0.00 N ATOM 926 CA ASN A 59 0.499 9.014 9.060 1.00 0.00 C ATOM 927 C ASN A 59 1.869 8.387 8.791 1.00 0.00 C ATOM 928 O ASN A 59 1.955 7.266 8.293 1.00 0.00 O ATOM 929 CB ASN A 59 -0.512 8.364 8.115 1.00 0.00 C ATOM 930 CG ASN A 59 -1.935 8.832 8.428 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.806 8.058 8.789 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.121 10.140 8.270 1.00 0.00 N ATOM 0 H ASN A 59 0.902 10.719 7.910 1.00 0.00 H new ATOM 0 HA ASN A 59 0.187 8.848 10.091 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.262 8.612 7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.454 7.279 8.205 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.036 10.551 8.454 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.348 10.732 7.965 1.00 0.00 H new ATOM 939 N VAL A 60 2.905 9.137 9.134 1.00 0.00 N ATOM 940 CA VAL A 60 4.266 8.669 8.936 1.00 0.00 C ATOM 941 C VAL A 60 5.168 9.261 10.020 1.00 0.00 C ATOM 942 O VAL A 60 5.348 10.476 10.087 1.00 0.00 O ATOM 943 CB VAL A 60 4.735 9.005 7.519 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.218 8.674 7.338 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.881 8.285 6.473 1.00 0.00 C ATOM 0 H VAL A 60 2.830 10.066 9.548 1.00 0.00 H new ATOM 0 HA VAL A 60 4.313 7.584 9.031 1.00 0.00 H new ATOM 0 HB VAL A 60 4.611 10.078 7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.525 8.923 6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.809 9.253 8.048 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.378 7.610 7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.236 8.541 5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.958 7.208 6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.841 8.593 6.578 1.00 0.00 H new ATOM 955 N PRO A 61 5.726 8.352 10.864 1.00 0.00 N ATOM 956 CA PRO A 61 6.605 8.773 11.942 1.00 0.00 C ATOM 957 C PRO A 61 7.981 9.169 11.405 1.00 0.00 C ATOM 958 O PRO A 61 8.285 8.938 10.235 1.00 0.00 O ATOM 959 CB PRO A 61 6.657 7.587 12.892 1.00 0.00 C ATOM 960 CG PRO A 61 6.185 6.387 12.087 1.00 0.00 C ATOM 961 CD PRO A 61 5.535 6.906 10.815 1.00 0.00 C ATOM 0 HA PRO A 61 6.243 9.664 12.456 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.668 7.432 13.268 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.017 7.752 13.759 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.024 5.734 11.848 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.475 5.795 12.665 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.000 6.475 9.928 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.477 6.647 10.777 1.00 0.00 H new ATOM 969 N PRO A 62 8.798 9.776 12.307 1.00 0.00 N ATOM 970 CA PRO A 62 10.135 10.207 11.936 1.00 0.00 C ATOM 971 C PRO A 62 11.085 9.012 11.826 1.00 0.00 C ATOM 972 O PRO A 62 12.048 9.049 11.061 1.00 0.00 O ATOM 973 CB PRO A 62 10.544 11.194 13.016 1.00 0.00 C ATOM 974 CG PRO A 62 9.620 10.931 14.194 1.00 0.00 C ATOM 975 CD PRO A 62 8.472 10.066 13.700 1.00 0.00 C ATOM 0 HA PRO A 62 10.168 10.677 10.953 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.587 11.053 13.299 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.445 12.221 12.664 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.159 10.428 14.997 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.243 11.869 14.601 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.386 9.150 14.285 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.519 10.588 13.783 1.00 0.00 H new ATOM 983 N GLU A 63 10.782 7.982 12.602 1.00 0.00 N ATOM 984 CA GLU A 63 11.597 6.779 12.602 1.00 0.00 C ATOM 985 C GLU A 63 11.428 6.024 11.282 1.00 0.00 C ATOM 986 O GLU A 63 12.306 5.259 10.884 1.00 0.00 O ATOM 987 CB GLU A 63 11.253 5.884 13.794 1.00 0.00 C ATOM 988 CG GLU A 63 10.100 4.938 13.454 1.00 0.00 C ATOM 989 CD GLU A 63 9.484 4.347 14.724 1.00 0.00 C ATOM 990 OE1 GLU A 63 8.968 5.149 15.531 1.00 0.00 O ATOM 991 OE2 GLU A 63 9.543 3.105 14.858 1.00 0.00 O ATOM 0 H GLU A 63 9.983 7.956 13.235 1.00 0.00 H new ATOM 0 HA GLU A 63 12.643 7.071 12.699 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.130 5.305 14.084 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.981 6.501 14.650 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.337 5.476 12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.461 4.134 12.812 1.00 0.00 H new ATOM 998 N LYS A 64 10.295 6.266 10.640 1.00 0.00 N ATOM 999 CA LYS A 64 10.000 5.618 9.373 1.00 0.00 C ATOM 1000 C LYS A 64 10.454 6.522 8.225 1.00 0.00 C ATOM 1001 O LYS A 64 10.862 6.035 7.172 1.00 0.00 O ATOM 1002 CB LYS A 64 8.522 5.229 9.301 1.00 0.00 C ATOM 1003 CG LYS A 64 8.178 4.182 10.363 1.00 0.00 C ATOM 1004 CD LYS A 64 8.751 2.813 9.989 1.00 0.00 C ATOM 1005 CE LYS A 64 7.870 1.685 10.529 1.00 0.00 C ATOM 1006 NZ LYS A 64 8.693 0.681 11.241 1.00 0.00 N ATOM 0 H LYS A 64 9.570 6.902 10.973 1.00 0.00 H new ATOM 0 HA LYS A 64 10.556 4.685 9.284 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.902 6.114 9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.294 4.836 8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.575 4.495 11.329 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.096 4.110 10.471 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.829 2.731 8.905 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.760 2.715 10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.119 2.094 11.205 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.334 1.209 9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.080 -0.078 11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.393 0.279 10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.185 1.136 12.037 1.00 0.00 H new ATOM 1020 N LYS A 65 10.368 7.821 8.468 1.00 0.00 N ATOM 1021 CA LYS A 65 10.765 8.797 7.467 1.00 0.00 C ATOM 1022 C LYS A 65 12.025 8.305 6.753 1.00 0.00 C ATOM 1023 O LYS A 65 12.964 7.837 7.395 1.00 0.00 O ATOM 1024 CB LYS A 65 10.918 10.182 8.101 1.00 0.00 C ATOM 1025 CG LYS A 65 9.595 10.950 8.065 1.00 0.00 C ATOM 1026 CD LYS A 65 9.782 12.386 8.559 1.00 0.00 C ATOM 1027 CE LYS A 65 8.660 12.786 9.520 1.00 0.00 C ATOM 1028 NZ LYS A 65 9.029 14.008 10.268 1.00 0.00 N ATOM 0 H LYS A 65 10.029 8.221 9.343 1.00 0.00 H new ATOM 0 HA LYS A 65 9.989 8.903 6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.255 10.079 9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.685 10.746 7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.203 10.959 7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.858 10.441 8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.745 12.479 9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.798 13.068 7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.740 12.958 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.463 11.972 10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.209 14.342 10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.812 13.794 10.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.326 14.748 9.600 1.00 0.00 H new ATOM 1042 N PRO A 66 12.004 8.432 5.399 1.00 0.00 N ATOM 1043 CA PRO A 66 13.134 8.005 4.590 1.00 0.00 C ATOM 1044 C PRO A 66 14.293 8.998 4.700 1.00 0.00 C ATOM 1045 O PRO A 66 15.153 8.860 5.568 1.00 0.00 O ATOM 1046 CB PRO A 66 12.584 7.887 3.178 1.00 0.00 C ATOM 1047 CG PRO A 66 11.296 8.694 3.163 1.00 0.00 C ATOM 1048 CD PRO A 66 10.910 8.982 4.605 1.00 0.00 C ATOM 0 HA PRO A 66 13.553 7.055 4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.295 8.274 2.448 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.395 6.845 2.918 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.435 9.624 2.612 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.504 8.140 2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.795 10.052 4.778 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.960 8.513 4.862 1.00 0.00 H new ATOM 1056 N THR A 67 14.277 9.977 3.808 1.00 0.00 N ATOM 1057 CA THR A 67 15.316 10.993 3.793 1.00 0.00 C ATOM 1058 C THR A 67 15.404 11.685 5.155 1.00 0.00 C ATOM 1059 O THR A 67 16.110 11.219 6.048 1.00 0.00 O ATOM 1060 CB THR A 67 15.021 11.955 2.641 1.00 0.00 C ATOM 1061 OG1 THR A 67 13.736 12.486 2.952 1.00 0.00 O ATOM 1062 CG2 THR A 67 14.812 11.228 1.310 1.00 0.00 C ATOM 0 H THR A 67 13.561 10.089 3.090 1.00 0.00 H new ATOM 0 HA THR A 67 16.298 10.552 3.623 1.00 0.00 H new ATOM 0 HB THR A 67 15.842 12.665 2.542 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.727 13.449 2.770 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.606 11.957 0.526 1.00 0.00 H new ATOM 0 HG22 THR A 67 15.712 10.667 1.057 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.970 10.542 1.398 1.00 0.00 H new ATOM 1070 N GLN A 68 14.677 12.787 5.271 1.00 0.00 N ATOM 1071 CA GLN A 68 14.664 13.548 6.509 1.00 0.00 C ATOM 1072 C GLN A 68 13.593 14.639 6.450 1.00 0.00 C ATOM 1073 O GLN A 68 13.088 14.961 5.375 1.00 0.00 O ATOM 1074 CB GLN A 68 16.042 14.147 6.799 1.00 0.00 C ATOM 1075 CG GLN A 68 16.774 14.491 5.500 1.00 0.00 C ATOM 1076 CD GLN A 68 18.217 14.914 5.781 1.00 0.00 C ATOM 1077 OE1 GLN A 68 18.538 15.474 6.817 1.00 0.00 O ATOM 1078 NE2 GLN A 68 19.068 14.617 4.802 1.00 0.00 N ATOM 0 H GLN A 68 14.093 13.171 4.528 1.00 0.00 H new ATOM 0 HA GLN A 68 14.420 12.870 7.327 1.00 0.00 H new ATOM 0 HB2 GLN A 68 15.932 15.045 7.407 1.00 0.00 H new ATOM 0 HB3 GLN A 68 16.635 13.440 7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 68 16.767 13.628 4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.249 15.295 4.984 1.00 0.00 H new ATOM 0 HE21 GLN A 68 18.734 14.147 3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 68 20.055 14.859 4.893 1.00 0.00 H new ATOM 1087 N GLY A 69 13.278 15.178 7.618 1.00 0.00 N ATOM 1088 CA GLY A 69 12.277 16.227 7.713 1.00 0.00 C ATOM 1089 C GLY A 69 10.871 15.663 7.498 1.00 0.00 C ATOM 1090 O GLY A 69 10.203 15.270 8.454 1.00 0.00 O ATOM 0 H GLY A 69 13.698 14.908 8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.336 16.704 8.692 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.481 16.998 6.970 1.00 0.00 H new ATOM 1094 N ASN A 70 10.462 15.641 6.238 1.00 0.00 N ATOM 1095 CA ASN A 70 9.148 15.132 5.886 1.00 0.00 C ATOM 1096 C ASN A 70 9.303 13.809 5.134 1.00 0.00 C ATOM 1097 O ASN A 70 10.337 13.559 4.516 1.00 0.00 O ATOM 1098 CB ASN A 70 8.405 16.110 4.973 1.00 0.00 C ATOM 1099 CG ASN A 70 8.617 17.555 5.429 1.00 0.00 C ATOM 1100 OD1 ASN A 70 9.497 18.258 4.961 1.00 0.00 O ATOM 1101 ND2 ASN A 70 7.763 17.957 6.366 1.00 0.00 N ATOM 0 H ASN A 70 11.018 15.968 5.448 1.00 0.00 H new ATOM 0 HA ASN A 70 8.581 14.996 6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.755 15.993 3.947 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.340 15.877 4.974 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.822 18.906 6.736 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.049 17.317 6.714 1.00 0.00 H new ATOM 1108 N PRO A 71 8.233 12.973 5.214 1.00 0.00 N ATOM 1109 CA PRO A 71 8.240 11.681 4.549 1.00 0.00 C ATOM 1110 C PRO A 71 8.047 11.841 3.040 1.00 0.00 C ATOM 1111 O PRO A 71 7.349 12.750 2.593 1.00 0.00 O ATOM 1112 CB PRO A 71 7.123 10.892 5.211 1.00 0.00 C ATOM 1113 CG PRO A 71 6.234 11.919 5.893 1.00 0.00 C ATOM 1114 CD PRO A 71 6.992 13.235 5.938 1.00 0.00 C ATOM 0 HA PRO A 71 9.192 11.160 4.651 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.561 10.317 4.475 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.523 10.180 5.933 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.298 12.036 5.347 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.977 11.592 6.900 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.422 14.037 5.469 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.190 13.543 6.965 1.00 0.00 H new ATOM 1122 N LEU A 72 8.677 10.943 2.297 1.00 0.00 N ATOM 1123 CA LEU A 72 8.583 10.972 0.847 1.00 0.00 C ATOM 1124 C LEU A 72 8.082 9.617 0.345 1.00 0.00 C ATOM 1125 O LEU A 72 8.206 8.609 1.040 1.00 0.00 O ATOM 1126 CB LEU A 72 9.916 11.401 0.232 1.00 0.00 C ATOM 1127 CG LEU A 72 10.399 12.808 0.592 1.00 0.00 C ATOM 1128 CD1 LEU A 72 11.861 13.006 0.185 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.485 13.874 -0.017 1.00 0.00 C ATOM 0 H LEU A 72 9.255 10.191 2.672 1.00 0.00 H new ATOM 0 HA LEU A 72 7.856 11.719 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.681 10.687 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.831 11.334 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 72 10.348 12.921 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.180 14.014 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.485 12.279 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.961 12.867 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.850 14.865 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.481 13.773 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.472 13.745 0.363 1.00 0.00 H new ATOM 1141 N PRO A 73 7.511 9.636 -0.889 1.00 0.00 N ATOM 1142 CA PRO A 73 6.991 8.421 -1.492 1.00 0.00 C ATOM 1143 C PRO A 73 8.127 7.527 -1.993 1.00 0.00 C ATOM 1144 O PRO A 73 9.280 7.954 -2.046 1.00 0.00 O ATOM 1145 CB PRO A 73 6.073 8.896 -2.607 1.00 0.00 C ATOM 1146 CG PRO A 73 6.471 10.336 -2.888 1.00 0.00 C ATOM 1147 CD PRO A 73 7.347 10.811 -1.740 1.00 0.00 C ATOM 0 HA PRO A 73 6.445 7.800 -0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.188 8.278 -3.498 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.027 8.831 -2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.010 10.405 -3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.586 10.966 -2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.309 11.176 -2.100 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.878 11.631 -1.197 1.00 0.00 H new ATOM 1155 N PRO A 74 7.753 6.272 -2.358 1.00 0.00 N ATOM 1156 CA PRO A 74 6.366 5.847 -2.265 1.00 0.00 C ATOM 1157 C PRO A 74 5.972 5.580 -0.811 1.00 0.00 C ATOM 1158 O PRO A 74 6.831 5.329 0.033 1.00 0.00 O ATOM 1159 CB PRO A 74 6.274 4.610 -3.143 1.00 0.00 C ATOM 1160 CG PRO A 74 7.701 4.119 -3.323 1.00 0.00 C ATOM 1161 CD PRO A 74 8.636 5.227 -2.868 1.00 0.00 C ATOM 0 HA PRO A 74 5.667 6.612 -2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.654 3.845 -2.676 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.818 4.847 -4.104 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.870 3.214 -2.740 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.889 3.866 -4.366 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.320 4.875 -2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.247 5.593 -3.693 1.00 0.00 H new ATOM 1169 N GLN A 75 4.672 5.642 -0.563 1.00 0.00 N ATOM 1170 CA GLN A 75 4.153 5.409 0.774 1.00 0.00 C ATOM 1171 C GLN A 75 2.863 4.589 0.708 1.00 0.00 C ATOM 1172 O GLN A 75 1.767 5.147 0.708 1.00 0.00 O ATOM 1173 CB GLN A 75 3.925 6.730 1.511 1.00 0.00 C ATOM 1174 CG GLN A 75 5.254 7.423 1.818 1.00 0.00 C ATOM 1175 CD GLN A 75 5.663 7.204 3.276 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.845 6.956 4.146 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.971 7.310 3.493 1.00 0.00 N ATOM 0 H GLN A 75 3.962 5.850 -1.266 1.00 0.00 H new ATOM 0 HA GLN A 75 4.894 4.840 1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.300 7.386 0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.385 6.544 2.439 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.030 7.038 1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.166 8.491 1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.601 7.520 2.719 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.344 7.181 4.434 1.00 0.00 H new ATOM 1186 N ILE A 76 3.036 3.276 0.653 1.00 0.00 N ATOM 1187 CA ILE A 76 1.900 2.374 0.586 1.00 0.00 C ATOM 1188 C ILE A 76 1.044 2.544 1.843 1.00 0.00 C ATOM 1189 O ILE A 76 1.573 2.670 2.946 1.00 0.00 O ATOM 1190 CB ILE A 76 2.370 0.936 0.353 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.086 0.805 -0.993 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.207 -0.049 0.482 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.579 0.534 -0.795 1.00 0.00 C ATOM 0 H ILE A 76 3.946 2.816 0.654 1.00 0.00 H new ATOM 0 HA ILE A 76 1.268 2.621 -0.267 1.00 0.00 H new ATOM 0 HB ILE A 76 3.093 0.683 1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.639 -0.005 -1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.952 1.719 -1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.569 -1.063 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.780 0.021 1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.442 0.192 -0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.065 0.445 -1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.028 1.357 -0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.710 -0.394 -0.238 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.264 2.543 1.634 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.198 2.696 2.736 1.00 0.00 C ATOM 1207 C PHE A 77 -2.489 1.919 2.473 1.00 0.00 C ATOM 1208 O PHE A 77 -3.278 2.294 1.607 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.527 4.187 2.840 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.597 4.965 3.773 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.687 4.796 5.119 1.00 0.00 C ATOM 1212 CD2 PHE A 77 0.320 5.827 3.256 1.00 0.00 C ATOM 1213 CE1 PHE A 77 0.176 5.519 5.985 1.00 0.00 C ATOM 1214 CE2 PHE A 77 1.183 6.549 4.121 1.00 0.00 C ATOM 1215 CZ PHE A 77 1.093 6.380 5.468 1.00 0.00 C ATOM 0 H PHE A 77 -0.699 2.439 0.717 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.755 2.312 3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.480 4.629 1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.553 4.299 3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.415 4.112 5.530 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.391 5.962 2.187 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.104 5.385 7.054 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.911 7.233 3.710 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.750 6.929 6.126 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.665 0.850 3.236 1.00 0.00 N ATOM 1226 CA ASN A 78 -3.847 0.017 3.096 1.00 0.00 C ATOM 1227 C ASN A 78 -5.015 0.667 3.840 1.00 0.00 C ATOM 1228 O ASN A 78 -5.233 0.396 5.020 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.617 -1.371 3.698 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.762 -2.321 3.340 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -5.928 -2.042 3.565 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.365 -3.456 2.772 1.00 0.00 N ATOM 0 H ASN A 78 -2.009 0.542 3.953 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.065 -0.082 2.033 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.674 -1.778 3.332 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.531 -1.292 4.782 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.053 -4.156 2.496 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.372 -3.626 2.612 1.00 0.00 H new ATOM 1239 N GLY A 79 -5.737 1.512 3.118 1.00 0.00 N ATOM 1240 CA GLY A 79 -6.878 2.203 3.695 1.00 0.00 C ATOM 1241 C GLY A 79 -6.425 3.370 4.575 1.00 0.00 C ATOM 1242 O GLY A 79 -6.262 4.489 4.093 1.00 0.00 O ATOM 0 H GLY A 79 -5.554 1.734 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.524 2.573 2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.469 1.505 4.287 1.00 0.00 H new ATOM 1246 N ASP A 80 -6.234 3.067 5.851 1.00 0.00 N ATOM 1247 CA ASP A 80 -5.802 4.077 6.803 1.00 0.00 C ATOM 1248 C ASP A 80 -4.707 3.493 7.698 1.00 0.00 C ATOM 1249 O ASP A 80 -4.351 4.085 8.715 1.00 0.00 O ATOM 1250 CB ASP A 80 -6.961 4.518 7.700 1.00 0.00 C ATOM 1251 CG ASP A 80 -7.544 3.420 8.591 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -7.188 2.246 8.351 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -8.332 3.779 9.492 1.00 0.00 O ATOM 0 H ASP A 80 -6.370 2.137 6.248 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.433 4.935 6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.619 5.336 8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.757 4.915 7.070 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.205 2.338 7.287 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.158 1.668 8.039 1.00 0.00 C ATOM 1260 C ARG A 81 -1.827 1.755 7.289 1.00 0.00 C ATOM 1261 O ARG A 81 -1.697 1.230 6.184 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.505 0.197 8.276 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.618 -0.106 9.771 1.00 0.00 C ATOM 1264 CD ARG A 81 -4.189 -1.505 10.006 1.00 0.00 C ATOM 1265 NE ARG A 81 -5.119 -1.486 11.158 1.00 0.00 N ATOM 1266 CZ ARG A 81 -4.746 -1.238 12.421 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -3.460 -0.988 12.702 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -5.658 -1.241 13.402 1.00 0.00 N ATOM 0 H ARG A 81 -4.504 1.849 6.443 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.070 2.169 9.003 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.446 -0.043 7.781 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.739 -0.437 7.830 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.636 -0.028 10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.257 0.636 10.249 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.711 -1.848 9.113 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.379 -2.210 10.193 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.106 -1.673 10.979 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.766 -0.987 11.955 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.175 -0.799 13.663 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.637 -1.432 13.188 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.374 -1.052 14.363 1.00 0.00 H new ATOM 1282 N TYR A 82 -0.871 2.422 7.920 1.00 0.00 N ATOM 1283 CA TYR A 82 0.445 2.586 7.326 1.00 0.00 C ATOM 1284 C TYR A 82 1.102 1.228 7.069 1.00 0.00 C ATOM 1285 O TYR A 82 1.382 0.482 8.006 1.00 0.00 O ATOM 1286 CB TYR A 82 1.278 3.356 8.352 1.00 0.00 C ATOM 1287 CG TYR A 82 2.656 3.782 7.842 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.833 4.087 6.508 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.721 3.861 8.715 1.00 0.00 C ATOM 1290 CE1 TYR A 82 4.130 4.488 6.027 1.00 0.00 C ATOM 1291 CE2 TYR A 82 5.018 4.262 8.235 1.00 0.00 C ATOM 1292 CZ TYR A 82 5.158 4.556 6.914 1.00 0.00 C ATOM 1293 OH TYR A 82 6.383 4.935 6.461 1.00 0.00 O ATOM 0 H TYR A 82 -0.982 2.855 8.837 1.00 0.00 H new ATOM 0 HA TYR A 82 0.373 3.106 6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.726 4.244 8.660 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.406 2.736 9.239 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.999 4.025 5.825 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.582 3.622 9.759 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.282 4.729 4.985 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.860 4.328 8.908 1.00 0.00 H new ATOM 0 HH TYR A 82 6.277 5.542 5.699 1.00 0.00 H new ATOM 1303 N CYS A 83 1.330 0.949 5.794 1.00 0.00 N ATOM 1304 CA CYS A 83 1.949 -0.305 5.401 1.00 0.00 C ATOM 1305 C CYS A 83 3.462 -0.172 5.583 1.00 0.00 C ATOM 1306 O CYS A 83 4.027 -0.709 6.535 1.00 0.00 O ATOM 1307 CB CYS A 83 1.579 -0.696 3.969 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.176 -1.210 3.894 1.00 0.00 S ATOM 0 H CYS A 83 1.097 1.570 5.020 1.00 0.00 H new ATOM 0 HA CYS A 83 1.577 -1.110 6.034 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.749 0.146 3.298 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.220 -1.509 3.628 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.480 -1.538 2.673 1.00 0.00 H new ATOM 1314 N GLY A 84 4.076 0.548 4.656 1.00 0.00 N ATOM 1315 CA GLY A 84 5.513 0.759 4.702 1.00 0.00 C ATOM 1316 C GLY A 84 6.020 1.372 3.394 1.00 0.00 C ATOM 1317 O GLY A 84 5.421 1.173 2.339 1.00 0.00 O ATOM 0 H GLY A 84 3.605 0.993 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.761 1.416 5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.018 -0.190 4.883 1.00 0.00 H new ATOM 1321 N ASP A 85 7.118 2.104 3.508 1.00 0.00 N ATOM 1322 CA ASP A 85 7.712 2.747 2.348 1.00 0.00 C ATOM 1323 C ASP A 85 8.361 1.685 1.458 1.00 0.00 C ATOM 1324 O ASP A 85 8.348 0.501 1.789 1.00 0.00 O ATOM 1325 CB ASP A 85 8.797 3.742 2.765 1.00 0.00 C ATOM 1326 CG ASP A 85 10.056 3.112 3.364 1.00 0.00 C ATOM 1327 OD1 ASP A 85 10.036 1.877 3.555 1.00 0.00 O ATOM 1328 OD2 ASP A 85 11.010 3.880 3.616 1.00 0.00 O ATOM 0 H ASP A 85 7.612 2.266 4.386 1.00 0.00 H new ATOM 0 HA ASP A 85 6.922 3.277 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.083 4.331 1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.374 4.434 3.493 1.00 0.00 H new ATOM 1333 N TYR A 86 8.912 2.148 0.346 1.00 0.00 N ATOM 1334 CA TYR A 86 9.564 1.253 -0.595 1.00 0.00 C ATOM 1335 C TYR A 86 10.509 0.291 0.129 1.00 0.00 C ATOM 1336 O TYR A 86 10.667 -0.857 -0.282 1.00 0.00 O ATOM 1337 CB TYR A 86 10.383 2.146 -1.529 1.00 0.00 C ATOM 1338 CG TYR A 86 11.466 1.401 -2.311 1.00 0.00 C ATOM 1339 CD1 TYR A 86 11.133 0.693 -3.448 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.777 1.437 -1.881 1.00 0.00 C ATOM 1341 CE1 TYR A 86 12.152 -0.009 -4.185 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.796 0.736 -2.617 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.434 0.048 -3.733 1.00 0.00 C ATOM 1344 OH TYR A 86 14.396 -0.615 -4.428 1.00 0.00 O ATOM 0 H TYR A 86 8.920 3.131 0.075 1.00 0.00 H new ATOM 0 HA TYR A 86 8.826 0.655 -1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.709 2.631 -2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.852 2.936 -0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 86 10.107 0.665 -3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.038 1.991 -0.992 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.904 -0.568 -5.076 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.825 0.756 -2.290 1.00 0.00 H new ATOM 0 HH TYR A 86 14.545 -1.495 -4.022 1.00 0.00 H new ATOM 1354 N ASP A 87 11.113 0.796 1.195 1.00 0.00 N ATOM 1355 CA ASP A 87 12.038 -0.004 1.980 1.00 0.00 C ATOM 1356 C ASP A 87 11.338 -1.287 2.433 1.00 0.00 C ATOM 1357 O ASP A 87 11.881 -2.380 2.283 1.00 0.00 O ATOM 1358 CB ASP A 87 12.496 0.752 3.229 1.00 0.00 C ATOM 1359 CG ASP A 87 13.993 0.654 3.531 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.751 0.402 2.569 1.00 0.00 O ATOM 1361 OD2 ASP A 87 14.346 0.833 4.717 1.00 0.00 O ATOM 0 H ASP A 87 10.980 1.749 1.533 1.00 0.00 H new ATOM 0 HA ASP A 87 12.904 -0.228 1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.231 1.803 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.942 0.374 4.088 1.00 0.00 H new ATOM 1366 N SER A 88 10.144 -1.110 2.980 1.00 0.00 N ATOM 1367 CA SER A 88 9.365 -2.240 3.456 1.00 0.00 C ATOM 1368 C SER A 88 8.923 -3.106 2.275 1.00 0.00 C ATOM 1369 O SER A 88 9.288 -4.277 2.188 1.00 0.00 O ATOM 1370 CB SER A 88 8.148 -1.771 4.256 1.00 0.00 C ATOM 1371 OG SER A 88 8.492 -1.412 5.591 1.00 0.00 O ATOM 0 H SER A 88 9.698 -0.201 3.104 1.00 0.00 H new ATOM 0 HA SER A 88 9.994 -2.835 4.118 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.694 -0.915 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.400 -2.563 4.275 1.00 0.00 H new ATOM 0 HG SER A 88 7.688 -1.117 6.068 1.00 0.00 H new ATOM 1377 N PHE A 89 8.142 -2.496 1.395 1.00 0.00 N ATOM 1378 CA PHE A 89 7.646 -3.197 0.223 1.00 0.00 C ATOM 1379 C PHE A 89 8.710 -4.139 -0.344 1.00 0.00 C ATOM 1380 O PHE A 89 8.425 -5.298 -0.638 1.00 0.00 O ATOM 1381 CB PHE A 89 7.311 -2.134 -0.826 1.00 0.00 C ATOM 1382 CG PHE A 89 7.193 -2.680 -2.250 1.00 0.00 C ATOM 1383 CD1 PHE A 89 6.549 -3.857 -2.476 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.732 -1.989 -3.290 1.00 0.00 C ATOM 1385 CE1 PHE A 89 6.439 -4.364 -3.797 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.622 -2.496 -4.612 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.978 -3.673 -4.838 1.00 0.00 C ATOM 0 H PHE A 89 7.841 -1.524 1.470 1.00 0.00 H new ATOM 0 HA PHE A 89 6.774 -3.795 0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.372 -1.653 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.082 -1.363 -0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 89 6.121 -4.406 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.244 -1.055 -3.111 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.928 -5.298 -3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.050 -1.947 -5.438 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.895 -4.059 -5.843 1.00 0.00 H new ATOM 1397 N PHE A 90 9.915 -3.604 -0.481 1.00 0.00 N ATOM 1398 CA PHE A 90 11.023 -4.383 -1.008 1.00 0.00 C ATOM 1399 C PHE A 90 11.366 -5.547 -0.077 1.00 0.00 C ATOM 1400 O PHE A 90 11.470 -6.690 -0.519 1.00 0.00 O ATOM 1401 CB PHE A 90 12.227 -3.443 -1.096 1.00 0.00 C ATOM 1402 CG PHE A 90 13.358 -3.963 -1.985 1.00 0.00 C ATOM 1403 CD1 PHE A 90 13.972 -5.140 -1.687 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.751 -3.249 -3.074 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.022 -5.622 -2.512 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.800 -3.731 -3.899 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.414 -4.908 -3.601 1.00 0.00 C ATOM 0 H PHE A 90 10.148 -2.642 -0.236 1.00 0.00 H new ATOM 0 HA PHE A 90 10.758 -4.797 -1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.894 -2.477 -1.477 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.616 -3.273 -0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 90 13.661 -5.708 -0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.264 -2.314 -3.311 1.00 0.00 H new ATOM 0 HE1 PHE A 90 15.510 -6.556 -2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 90 15.111 -3.163 -4.764 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.212 -5.275 -4.229 1.00 0.00 H new ATOM 1417 N GLU A 91 11.534 -5.216 1.195 1.00 0.00 N ATOM 1418 CA GLU A 91 11.863 -6.221 2.193 1.00 0.00 C ATOM 1419 C GLU A 91 10.808 -7.328 2.200 1.00 0.00 C ATOM 1420 O GLU A 91 11.047 -8.415 2.723 1.00 0.00 O ATOM 1421 CB GLU A 91 12.005 -5.590 3.579 1.00 0.00 C ATOM 1422 CG GLU A 91 13.472 -5.540 4.011 1.00 0.00 C ATOM 1423 CD GLU A 91 13.604 -5.703 5.527 1.00 0.00 C ATOM 1424 OE1 GLU A 91 13.029 -6.686 6.044 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.275 -4.842 6.135 1.00 0.00 O ATOM 0 H GLU A 91 11.449 -4.267 1.558 1.00 0.00 H new ATOM 0 HA GLU A 91 12.824 -6.664 1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.591 -4.582 3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.428 -6.163 4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.030 -6.329 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.913 -4.592 3.704 1.00 0.00 H new ATOM 1432 N SER A 92 9.663 -7.014 1.612 1.00 0.00 N ATOM 1433 CA SER A 92 8.570 -7.970 1.544 1.00 0.00 C ATOM 1434 C SER A 92 8.577 -8.677 0.187 1.00 0.00 C ATOM 1435 O SER A 92 8.039 -9.775 0.053 1.00 0.00 O ATOM 1436 CB SER A 92 7.223 -7.283 1.778 1.00 0.00 C ATOM 1437 OG SER A 92 7.192 -6.573 3.013 1.00 0.00 O ATOM 0 H SER A 92 9.468 -6.112 1.178 1.00 0.00 H new ATOM 0 HA SER A 92 8.712 -8.709 2.332 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.021 -6.593 0.958 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.429 -8.030 1.769 1.00 0.00 H new ATOM 0 HG SER A 92 6.615 -5.786 2.923 1.00 0.00 H new ATOM 1443 N LYS A 93 9.191 -8.018 -0.784 1.00 0.00 N ATOM 1444 CA LYS A 93 9.275 -8.570 -2.126 1.00 0.00 C ATOM 1445 C LYS A 93 10.153 -9.823 -2.103 1.00 0.00 C ATOM 1446 O LYS A 93 9.690 -10.916 -2.424 1.00 0.00 O ATOM 1447 CB LYS A 93 9.750 -7.504 -3.115 1.00 0.00 C ATOM 1448 CG LYS A 93 8.566 -6.725 -3.692 1.00 0.00 C ATOM 1449 CD LYS A 93 8.982 -5.936 -4.935 1.00 0.00 C ATOM 1450 CE LYS A 93 9.799 -4.700 -4.552 1.00 0.00 C ATOM 1451 NZ LYS A 93 11.248 -4.999 -4.606 1.00 0.00 N ATOM 0 H LYS A 93 9.635 -7.107 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 93 8.289 -8.878 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.433 -6.817 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.308 -7.976 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.762 -7.415 -3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.173 -6.043 -2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.569 -6.574 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.095 -5.632 -5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.566 -3.878 -5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.526 -4.373 -3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.734 -4.501 -3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.395 -6.024 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.634 -4.682 -5.518 1.00 0.00 H new ATOM 1465 N GLU A 94 11.406 -9.622 -1.721 1.00 0.00 N ATOM 1466 CA GLU A 94 12.353 -10.721 -1.653 1.00 0.00 C ATOM 1467 C GLU A 94 11.857 -11.789 -0.676 1.00 0.00 C ATOM 1468 O GLU A 94 12.344 -12.919 -0.686 1.00 0.00 O ATOM 1469 CB GLU A 94 13.745 -10.222 -1.258 1.00 0.00 C ATOM 1470 CG GLU A 94 14.336 -9.327 -2.349 1.00 0.00 C ATOM 1471 CD GLU A 94 15.863 -9.418 -2.366 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.474 -8.874 -1.421 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.385 -10.030 -3.323 1.00 0.00 O ATOM 0 H GLU A 94 11.787 -8.714 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 94 12.431 -11.169 -2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.684 -9.668 -0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.404 -11.072 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.940 -9.622 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.032 -8.294 -2.181 1.00 0.00 H new ATOM 1480 N SER A 95 10.893 -11.395 0.143 1.00 0.00 N ATOM 1481 CA SER A 95 10.326 -12.304 1.124 1.00 0.00 C ATOM 1482 C SER A 95 8.967 -12.815 0.639 1.00 0.00 C ATOM 1483 O SER A 95 8.395 -13.728 1.232 1.00 0.00 O ATOM 1484 CB SER A 95 10.181 -11.624 2.487 1.00 0.00 C ATOM 1485 OG SER A 95 10.999 -12.239 3.479 1.00 0.00 O ATOM 0 H SER A 95 10.490 -10.458 0.147 1.00 0.00 H new ATOM 0 HA SER A 95 11.005 -13.149 1.240 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.449 -10.571 2.398 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.138 -11.662 2.802 1.00 0.00 H new ATOM 0 HG SER A 95 10.880 -11.776 4.334 1.00 0.00 H new ATOM 1491 N ASN A 96 8.490 -12.203 -0.435 1.00 0.00 N ATOM 1492 CA ASN A 96 7.209 -12.584 -1.006 1.00 0.00 C ATOM 1493 C ASN A 96 6.112 -12.398 0.044 1.00 0.00 C ATOM 1494 O ASN A 96 5.216 -13.232 0.165 1.00 0.00 O ATOM 1495 CB ASN A 96 7.212 -14.054 -1.432 1.00 0.00 C ATOM 1496 CG ASN A 96 7.817 -14.219 -2.827 1.00 0.00 C ATOM 1497 OD1 ASN A 96 8.968 -14.590 -2.993 1.00 0.00 O ATOM 1498 ND2 ASN A 96 6.981 -13.924 -3.818 1.00 0.00 N ATOM 0 H ASN A 96 8.967 -11.446 -0.925 1.00 0.00 H new ATOM 0 HA ASN A 96 7.028 -11.956 -1.878 1.00 0.00 H new ATOM 0 HB2 ASN A 96 7.781 -14.644 -0.713 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.193 -14.440 -1.426 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.290 -14.003 -4.787 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.030 -13.619 -3.609 1.00 0.00 H new ATOM 1505 N THR A 97 6.218 -11.298 0.775 1.00 0.00 N ATOM 1506 CA THR A 97 5.245 -10.992 1.811 1.00 0.00 C ATOM 1507 C THR A 97 4.490 -9.706 1.469 1.00 0.00 C ATOM 1508 O THR A 97 3.586 -9.300 2.199 1.00 0.00 O ATOM 1509 CB THR A 97 5.984 -10.926 3.149 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.231 -10.316 2.827 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.370 -12.310 3.674 1.00 0.00 C ATOM 0 H THR A 97 6.962 -10.608 0.671 1.00 0.00 H new ATOM 0 HA THR A 97 4.484 -11.769 1.882 1.00 0.00 H new ATOM 0 HB THR A 97 5.358 -10.421 3.885 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.706 -10.087 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.892 -12.206 4.625 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.470 -12.909 3.817 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.023 -12.803 2.954 1.00 0.00 H new ATOM 1519 N VAL A 98 4.888 -9.101 0.360 1.00 0.00 N ATOM 1520 CA VAL A 98 4.260 -7.869 -0.087 1.00 0.00 C ATOM 1521 C VAL A 98 2.761 -7.928 0.212 1.00 0.00 C ATOM 1522 O VAL A 98 2.222 -7.044 0.876 1.00 0.00 O ATOM 1523 CB VAL A 98 4.566 -7.633 -1.568 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.606 -6.604 -2.168 1.00 0.00 C ATOM 1525 CG2 VAL A 98 6.021 -7.207 -1.766 1.00 0.00 C ATOM 0 H VAL A 98 5.638 -9.441 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 98 4.666 -7.015 0.455 1.00 0.00 H new ATOM 0 HB VAL A 98 4.419 -8.576 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.845 -6.454 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.582 -6.965 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.707 -5.658 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.212 -7.046 -2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.207 -6.283 -1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.683 -7.989 -1.393 1.00 0.00 H new ATOM 1535 N PHE A 99 2.130 -8.978 -0.292 1.00 0.00 N ATOM 1536 CA PHE A 99 0.704 -9.164 -0.087 1.00 0.00 C ATOM 1537 C PHE A 99 0.327 -8.941 1.379 1.00 0.00 C ATOM 1538 O PHE A 99 -0.557 -8.141 1.681 1.00 0.00 O ATOM 1539 CB PHE A 99 0.382 -10.610 -0.469 1.00 0.00 C ATOM 1540 CG PHE A 99 0.282 -10.848 -1.978 1.00 0.00 C ATOM 1541 CD1 PHE A 99 1.409 -11.063 -2.708 1.00 0.00 C ATOM 1542 CD2 PHE A 99 -0.933 -10.843 -2.588 1.00 0.00 C ATOM 1543 CE1 PHE A 99 1.317 -11.283 -4.108 1.00 0.00 C ATOM 1544 CE2 PHE A 99 -1.025 -11.064 -3.988 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.102 -11.279 -4.718 1.00 0.00 C ATOM 0 H PHE A 99 2.581 -9.709 -0.842 1.00 0.00 H new ATOM 0 HA PHE A 99 0.145 -8.449 -0.691 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.152 -11.263 -0.059 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.561 -10.897 -0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.374 -11.066 -2.223 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.828 -10.671 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.212 -11.453 -4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.990 -11.061 -4.473 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.032 -11.447 -5.783 1.00 0.00 H new ATOM 1555 N SER A 100 1.017 -9.662 2.251 1.00 0.00 N ATOM 1556 CA SER A 100 0.766 -9.553 3.678 1.00 0.00 C ATOM 1557 C SER A 100 1.184 -8.169 4.178 1.00 0.00 C ATOM 1558 O SER A 100 0.459 -7.537 4.946 1.00 0.00 O ATOM 1559 CB SER A 100 1.507 -10.644 4.453 1.00 0.00 C ATOM 1560 OG SER A 100 0.902 -10.907 5.715 1.00 0.00 O ATOM 0 H SER A 100 1.750 -10.324 1.996 1.00 0.00 H new ATOM 0 HA SER A 100 -0.302 -9.687 3.849 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.525 -11.560 3.862 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.543 -10.341 4.604 1.00 0.00 H new ATOM 0 HG SER A 100 1.403 -11.610 6.178 1.00 0.00 H new ATOM 1566 N PHE A 101 2.351 -7.738 3.723 1.00 0.00 N ATOM 1567 CA PHE A 101 2.874 -6.440 4.115 1.00 0.00 C ATOM 1568 C PHE A 101 1.837 -5.339 3.887 1.00 0.00 C ATOM 1569 O PHE A 101 1.724 -4.413 4.688 1.00 0.00 O ATOM 1570 CB PHE A 101 4.094 -6.165 3.233 1.00 0.00 C ATOM 1571 CG PHE A 101 4.474 -4.686 3.141 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.619 -3.949 4.275 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.667 -4.107 1.925 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.972 -2.576 4.189 1.00 0.00 C ATOM 1575 CE2 PHE A 101 5.020 -2.735 1.840 1.00 0.00 C ATOM 1576 CZ PHE A 101 5.165 -1.998 2.974 1.00 0.00 C ATOM 0 H PHE A 101 2.949 -8.264 3.087 1.00 0.00 H new ATOM 0 HA PHE A 101 3.130 -6.447 5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.945 -6.725 3.622 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.897 -6.542 2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.466 -4.408 5.241 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.552 -4.692 1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.087 -1.991 5.089 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.174 -2.276 0.875 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.433 -0.954 2.909 1.00 0.00 H new ATOM 1586 N LEU A 102 1.105 -5.477 2.791 1.00 0.00 N ATOM 1587 CA LEU A 102 0.081 -4.505 2.448 1.00 0.00 C ATOM 1588 C LEU A 102 -1.209 -4.845 3.197 1.00 0.00 C ATOM 1589 O LEU A 102 -2.024 -3.964 3.468 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.093 -4.423 0.930 1.00 0.00 C ATOM 1591 CG LEU A 102 1.196 -4.436 0.106 1.00 0.00 C ATOM 1592 CD1 LEU A 102 1.034 -5.292 -1.152 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.650 -3.012 -0.225 1.00 0.00 C ATOM 0 H LEU A 102 1.201 -6.247 2.129 1.00 0.00 H new ATOM 0 HA LEU A 102 0.382 -3.507 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.714 -5.259 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.641 -3.511 0.696 1.00 0.00 H new ATOM 0 HG LEU A 102 1.981 -4.893 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.964 -5.284 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.791 -6.316 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.230 -4.887 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.568 -3.050 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.873 -2.507 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.832 -2.464 0.699 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.354 -6.124 3.511 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.531 -6.590 4.224 1.00 0.00 C ATOM 1607 C GLY A 103 -3.492 -7.315 3.279 1.00 0.00 C ATOM 1608 O GLY A 103 -4.697 -7.070 3.306 1.00 0.00 O ATOM 0 H GLY A 103 -0.676 -6.852 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.231 -7.261 5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.039 -5.744 4.687 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.923 -8.194 2.467 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.714 -8.956 1.516 1.00 0.00 C ATOM 1614 C LEU A 104 -3.671 -10.438 1.895 1.00 0.00 C ATOM 1615 O LEU A 104 -3.264 -11.276 1.092 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.251 -8.674 0.086 1.00 0.00 C ATOM 1617 CG LEU A 104 -3.056 -7.200 -0.278 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.281 -7.057 -1.589 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.397 -6.464 -0.321 1.00 0.00 C ATOM 0 H LEU A 104 -1.923 -8.395 2.448 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.758 -8.646 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.309 -9.196 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.979 -9.104 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.457 -6.732 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.156 -6.000 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.301 -7.524 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.832 -7.545 -2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.230 -5.419 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.042 -6.926 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.875 -6.522 0.657 1.00 0.00 H new ATOM 1631 N LYS A 105 -4.096 -10.716 3.119 1.00 0.00 N ATOM 1632 CA LYS A 105 -4.111 -12.081 3.614 1.00 0.00 C ATOM 1633 C LYS A 105 -4.744 -12.108 5.007 1.00 0.00 C ATOM 1634 O LYS A 105 -5.766 -12.759 5.215 1.00 0.00 O ATOM 1635 CB LYS A 105 -2.705 -12.684 3.567 1.00 0.00 C ATOM 1636 CG LYS A 105 -2.693 -13.986 2.763 1.00 0.00 C ATOM 1637 CD LYS A 105 -1.373 -14.735 2.952 1.00 0.00 C ATOM 1638 CE LYS A 105 -0.928 -15.400 1.648 1.00 0.00 C ATOM 1639 NZ LYS A 105 0.549 -15.443 1.567 1.00 0.00 N ATOM 0 H LYS A 105 -4.433 -10.018 3.782 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.726 -12.711 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -2.014 -11.970 3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.353 -12.875 4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.523 -14.619 3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.842 -13.766 1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.603 -14.042 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.488 -15.491 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.331 -16.411 1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.329 -14.850 0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.835 -15.897 0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 0.927 -14.475 1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.925 -15.987 2.369 1.00 0.00 H new ATOM 1653 N SER A 106 -4.111 -11.391 5.924 1.00 0.00 N ATOM 1654 CA SER A 106 -4.600 -11.324 7.290 1.00 0.00 C ATOM 1655 C SER A 106 -5.693 -10.260 7.403 1.00 0.00 C ATOM 1656 O SER A 106 -5.405 -9.096 7.677 1.00 0.00 O ATOM 1657 CB SER A 106 -3.462 -11.023 8.268 1.00 0.00 C ATOM 1658 OG SER A 106 -2.989 -12.200 8.916 1.00 0.00 O ATOM 0 H SER A 106 -3.264 -10.851 5.747 1.00 0.00 H new ATOM 0 HA SER A 106 -5.020 -12.295 7.551 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.640 -10.549 7.732 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.807 -10.311 9.017 1.00 0.00 H new ATOM 0 HG SER A 106 -2.262 -11.966 9.530 1.00 0.00 H new ATOM 1664 N GLY A 107 -6.925 -10.697 7.187 1.00 0.00 N ATOM 1665 CA GLY A 107 -8.063 -9.797 7.261 1.00 0.00 C ATOM 1666 C GLY A 107 -9.285 -10.398 6.564 1.00 0.00 C ATOM 1667 O GLY A 107 -9.251 -11.547 6.126 1.00 0.00 O ATOM 0 H GLY A 107 -7.160 -11.663 6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.300 -9.591 8.305 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.808 -8.844 6.798 1.00 0.00 H new ATOM 1671 N PRO A 108 -10.363 -9.574 6.481 1.00 0.00 N ATOM 1672 CA PRO A 108 -11.594 -10.013 5.845 1.00 0.00 C ATOM 1673 C PRO A 108 -11.447 -10.031 4.323 1.00 0.00 C ATOM 1674 O PRO A 108 -11.530 -8.989 3.675 1.00 0.00 O ATOM 1675 CB PRO A 108 -12.655 -9.038 6.329 1.00 0.00 C ATOM 1676 CG PRO A 108 -11.902 -7.822 6.841 1.00 0.00 C ATOM 1677 CD PRO A 108 -10.439 -8.207 6.989 1.00 0.00 C ATOM 0 HA PRO A 108 -11.863 -11.036 6.108 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -13.333 -8.765 5.520 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -13.262 -9.482 7.118 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.009 -6.987 6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -12.309 -7.496 7.798 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -9.794 -7.537 6.421 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -10.118 -8.153 8.029 1.00 0.00 H new ATOM 1685 N SER A 109 -11.233 -11.227 3.795 1.00 0.00 N ATOM 1686 CA SER A 109 -11.074 -11.395 2.361 1.00 0.00 C ATOM 1687 C SER A 109 -11.133 -12.880 1.998 1.00 0.00 C ATOM 1688 O SER A 109 -10.876 -13.739 2.840 1.00 0.00 O ATOM 1689 CB SER A 109 -9.758 -10.783 1.876 1.00 0.00 C ATOM 1690 OG SER A 109 -8.629 -11.544 2.295 1.00 0.00 O ATOM 0 H SER A 109 -11.166 -12.090 4.335 1.00 0.00 H new ATOM 0 HA SER A 109 -11.891 -10.873 1.864 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.768 -10.718 0.788 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.670 -9.765 2.255 1.00 0.00 H new ATOM 0 HG SER A 109 -7.809 -11.122 1.964 1.00 0.00 H new ATOM 1696 N SER A 110 -11.474 -13.137 0.743 1.00 0.00 N ATOM 1697 CA SER A 110 -11.570 -14.503 0.259 1.00 0.00 C ATOM 1698 C SER A 110 -11.658 -14.512 -1.269 1.00 0.00 C ATOM 1699 O SER A 110 -12.385 -13.713 -1.857 1.00 0.00 O ATOM 1700 CB SER A 110 -12.780 -15.218 0.863 1.00 0.00 C ATOM 1701 OG SER A 110 -12.469 -15.829 2.113 1.00 0.00 O ATOM 0 H SER A 110 -11.687 -12.422 0.047 1.00 0.00 H new ATOM 0 HA SER A 110 -10.673 -15.039 0.569 1.00 0.00 H new ATOM 0 HB2 SER A 110 -13.592 -14.504 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 110 -13.137 -15.977 0.167 1.00 0.00 H new ATOM 0 HG SER A 110 -11.863 -15.249 2.619 1.00 0.00 H new ATOM 1707 N GLY A 111 -10.906 -15.424 -1.868 1.00 0.00 N ATOM 1708 CA GLY A 111 -10.889 -15.547 -3.315 1.00 0.00 C ATOM 1709 C GLY A 111 -9.761 -14.712 -3.924 1.00 0.00 C ATOM 1710 O GLY A 111 -8.734 -14.489 -3.284 1.00 0.00 O ATOM 0 H GLY A 111 -10.304 -16.085 -1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -10.762 -16.593 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -11.847 -15.223 -3.722 1.00 0.00 H new TER 1714 GLY A 111