USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 643 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 109 LYS NZ :NH3+ -168:sc= 1.83 (180deg=1.06) USER MOD Set 1.2: A 127 GLN : amide:sc= 1.37 K(o=3.2,f=-2.7!) USER MOD Set 2.1: A 77 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 115 ASN : amide:sc= 0.255 X(o=0.25,f=0.33) USER MOD Set 3.1: A 55 SER OG : rot 180:sc= 0.42 USER MOD Set 3.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.349 K(o=0.35,f=-6.6!) USER MOD Single : A 64 ASN : amide:sc= 0.103 K(o=0.1,f=-5.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0.138 K(o=0.14,f=-4.8!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0886 USER MOD Single : A 71 ASN : amide:sc= -0.984 K(o=-0.98,f=-4.1!) USER MOD Single : A 74 ASN : amide:sc= 0.182 K(o=0.18,f=-2.9!) USER MOD Single : A 76 MET CE :methyl 135:sc= -0.222 (180deg=-3.07) USER MOD Single : A 79 HIS : no HE2:sc= -8.56! C(o=-8.6!,f=-9.2!) USER MOD Single : A 81 CYS SG : rot -37:sc= -0.605 USER MOD Single : A 83 MET CE :methyl -154:sc= -0.0976 (180deg=-0.508) USER MOD Single : A 84 LYS NZ :NH3+ 153:sc= 1.32 (180deg=0.665) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 102:sc= 0.205 USER MOD Single : A 103 HIS : +bothHN:sc= 1.84 K(o=1.8,f=-12!) USER MOD Single : A 105 HIS :FLIP no HE2:sc= -5.21! C(o=-7.4!,f=-5.2!) USER MOD Single : A 106 LYS NZ :NH3+ -174:sc= 1.28 (180deg=1.21) USER MOD Single : A 108 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00952) USER MOD Single : A 116 THR OG1 : rot -150:sc= -0.528 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.512 8.631 1.752 1.00 0.00 N ATOM 2 CA SER A 55 -12.325 7.707 0.632 1.00 0.00 C ATOM 3 C SER A 55 -12.601 6.305 1.066 1.00 0.00 C ATOM 4 O SER A 55 -12.817 6.035 2.244 1.00 0.00 O ATOM 5 CB SER A 55 -10.868 7.753 0.140 1.00 0.00 C ATOM 6 OG SER A 55 -10.778 7.216 -1.174 1.00 0.00 O ATOM 0 HA SER A 55 -13.009 8.007 -0.162 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.506 8.781 0.146 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.229 7.186 0.817 1.00 0.00 H new ATOM 0 HG SER A 55 -9.847 7.251 -1.479 1.00 0.00 H new ATOM 14 N ASN A 56 -12.631 5.378 0.091 1.00 0.00 N ATOM 15 CA ASN A 56 -12.586 3.979 0.404 1.00 0.00 C ATOM 16 C ASN A 56 -11.520 3.386 -0.472 1.00 0.00 C ATOM 17 O ASN A 56 -11.464 2.173 -0.688 1.00 0.00 O ATOM 18 CB ASN A 56 -13.904 3.225 0.150 1.00 0.00 C ATOM 19 CG ASN A 56 -14.695 3.148 1.454 1.00 0.00 C ATOM 20 OD1 ASN A 56 -15.184 2.084 1.836 1.00 0.00 O ATOM 21 ND2 ASN A 56 -14.873 4.300 2.147 1.00 0.00 N ATOM 0 H ASN A 56 -12.686 5.592 -0.905 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.390 3.879 1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.489 3.737 -0.615 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.697 2.222 -0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.423 4.299 3.006 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.457 5.168 1.809 1.00 0.00 H new ATOM 28 N THR A 57 -10.608 4.249 -0.964 1.00 0.00 N ATOM 29 CA THR A 57 -9.571 3.801 -1.846 1.00 0.00 C ATOM 30 C THR A 57 -8.285 4.400 -1.358 1.00 0.00 C ATOM 31 O THR A 57 -8.283 5.414 -0.655 1.00 0.00 O ATOM 32 CB THR A 57 -9.800 4.229 -3.307 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.682 5.640 -3.438 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.208 3.912 -3.817 1.00 0.00 C ATOM 0 H THR A 57 -10.588 5.247 -0.754 1.00 0.00 H new ATOM 0 HA THR A 57 -9.554 2.711 -1.837 1.00 0.00 H new ATOM 0 HB THR A 57 -9.052 3.678 -3.876 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.829 5.895 -4.373 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.302 4.239 -4.852 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.383 2.838 -3.759 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.943 4.433 -3.204 1.00 0.00 H new ATOM 42 N ILE A 58 -7.156 3.748 -1.701 1.00 0.00 N ATOM 43 CA ILE A 58 -5.866 4.320 -1.438 1.00 0.00 C ATOM 44 C ILE A 58 -5.086 4.183 -2.703 1.00 0.00 C ATOM 45 O ILE A 58 -5.435 3.384 -3.575 1.00 0.00 O ATOM 46 CB ILE A 58 -5.064 3.634 -0.314 1.00 0.00 C ATOM 47 CG1 ILE A 58 -5.937 2.889 0.702 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.136 4.599 0.450 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.320 1.471 0.262 1.00 0.00 C ATOM 0 H ILE A 58 -7.134 2.835 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.024 5.346 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.456 2.905 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.407 2.834 1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.846 3.464 0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.602 4.052 1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.419 5.039 -0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.731 5.390 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.937 1.006 1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.879 1.519 -0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.417 0.879 0.115 1.00 0.00 H new ATOM 61 N ARG A 59 -3.997 4.961 -2.846 1.00 0.00 N ATOM 62 CA ARG A 59 -3.228 4.873 -4.044 1.00 0.00 C ATOM 63 C ARG A 59 -2.003 4.101 -3.717 1.00 0.00 C ATOM 64 O ARG A 59 -1.635 3.977 -2.554 1.00 0.00 O ATOM 65 CB ARG A 59 -2.808 6.248 -4.539 1.00 0.00 C ATOM 66 CG ARG A 59 -3.925 6.991 -5.273 1.00 0.00 C ATOM 67 CD ARG A 59 -4.923 7.702 -4.348 1.00 0.00 C ATOM 68 NE ARG A 59 -4.416 9.088 -4.113 1.00 0.00 N ATOM 69 CZ ARG A 59 -5.037 9.911 -3.225 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.043 9.458 -2.451 1.00 0.00 N ATOM 71 NH2 ARG A 59 -4.596 11.177 -3.056 1.00 0.00 N ATOM 0 H ARG A 59 -3.659 5.630 -2.155 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.825 4.400 -4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.478 6.847 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.952 6.141 -5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.478 7.727 -5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.468 6.282 -5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.913 7.729 -4.802 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.020 7.165 -3.404 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.597 9.420 -4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.347 8.487 -2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.500 10.086 -1.789 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.798 11.515 -3.594 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.061 11.794 -2.391 1.00 0.00 H new ATOM 85 N VAL A 60 -1.342 3.572 -4.757 1.00 0.00 N ATOM 86 CA VAL A 60 -0.153 2.804 -4.548 1.00 0.00 C ATOM 87 C VAL A 60 0.856 3.302 -5.523 1.00 0.00 C ATOM 88 O VAL A 60 0.521 3.588 -6.666 1.00 0.00 O ATOM 89 CB VAL A 60 -0.351 1.297 -4.777 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.838 0.446 -4.311 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.629 0.749 -4.124 1.00 0.00 C ATOM 0 H VAL A 60 -1.624 3.672 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 60 0.155 2.923 -3.509 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.439 1.212 -5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.630 -0.607 -4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.734 0.744 -4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.996 0.596 -3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.710 -0.320 -4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.588 0.916 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.497 1.262 -4.538 1.00 0.00 H new ATOM 101 N PHE A 61 2.100 3.489 -5.048 1.00 0.00 N ATOM 102 CA PHE A 61 3.176 3.872 -5.914 1.00 0.00 C ATOM 103 C PHE A 61 4.224 2.817 -5.761 1.00 0.00 C ATOM 104 O PHE A 61 4.452 2.314 -4.662 1.00 0.00 O ATOM 105 CB PHE A 61 3.793 5.217 -5.505 1.00 0.00 C ATOM 106 CG PHE A 61 2.881 6.303 -5.972 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.689 6.570 -5.315 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.251 7.138 -7.031 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.880 7.620 -5.708 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.455 8.207 -7.402 1.00 0.00 C ATOM 111 CZ PHE A 61 1.269 8.448 -6.737 1.00 0.00 C ATOM 0 H PHE A 61 2.362 3.376 -4.069 1.00 0.00 H new ATOM 0 HA PHE A 61 2.807 3.974 -6.934 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.920 5.265 -4.424 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.782 5.333 -5.948 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.388 5.949 -4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.169 6.946 -7.566 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.061 7.791 -5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.761 8.853 -8.212 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.648 9.284 -7.023 1.00 0.00 H new ATOM 121 N LEU A 62 4.866 2.402 -6.873 1.00 0.00 N ATOM 122 CA LEU A 62 5.673 1.220 -6.815 1.00 0.00 C ATOM 123 C LEU A 62 7.102 1.632 -6.613 1.00 0.00 C ATOM 124 O LEU A 62 7.460 2.809 -6.686 1.00 0.00 O ATOM 125 CB LEU A 62 5.567 0.379 -8.096 1.00 0.00 C ATOM 126 CG LEU A 62 4.566 -0.774 -7.991 1.00 0.00 C ATOM 127 CD1 LEU A 62 3.115 -0.309 -7.843 1.00 0.00 C ATOM 128 CD2 LEU A 62 4.808 -1.862 -9.026 1.00 0.00 C ATOM 0 H LEU A 62 4.830 2.866 -7.781 1.00 0.00 H new ATOM 0 HA LEU A 62 5.316 0.604 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.277 1.027 -8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.550 -0.025 -8.338 1.00 0.00 H new ATOM 0 HG LEU A 62 4.762 -1.272 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.460 -1.177 -7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.016 0.293 -6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.834 0.289 -8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.068 -2.653 -8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.723 -1.438 -10.026 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.807 -2.276 -8.892 1.00 0.00 H new ATOM 140 N PRO A 63 7.906 0.584 -6.459 1.00 0.00 N ATOM 141 CA PRO A 63 9.267 0.969 -6.155 1.00 0.00 C ATOM 142 C PRO A 63 9.891 1.280 -7.492 1.00 0.00 C ATOM 143 O PRO A 63 10.870 2.019 -7.571 1.00 0.00 O ATOM 144 CB PRO A 63 9.906 -0.278 -5.585 1.00 0.00 C ATOM 145 CG PRO A 63 8.761 -1.163 -5.098 1.00 0.00 C ATOM 146 CD PRO A 63 7.491 -0.606 -5.738 1.00 0.00 C ATOM 0 HA PRO A 63 9.366 1.811 -5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.499 -0.791 -6.342 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.581 -0.029 -4.766 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.921 -2.201 -5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.690 -1.144 -4.011 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.039 -1.335 -6.411 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.744 -0.365 -4.982 1.00 0.00 H new ATOM 154 N ASN A 64 9.307 0.762 -8.594 1.00 0.00 N ATOM 155 CA ASN A 64 9.810 1.077 -9.901 1.00 0.00 C ATOM 156 C ASN A 64 9.084 2.305 -10.388 1.00 0.00 C ATOM 157 O ASN A 64 8.917 2.502 -11.591 1.00 0.00 O ATOM 158 CB ASN A 64 9.704 -0.066 -10.932 1.00 0.00 C ATOM 159 CG ASN A 64 8.310 -0.677 -10.847 1.00 0.00 C ATOM 160 OD1 ASN A 64 7.951 -1.308 -9.853 1.00 0.00 O ATOM 161 ND2 ASN A 64 7.507 -0.510 -11.929 1.00 0.00 N ATOM 0 H ASN A 64 8.501 0.137 -8.582 1.00 0.00 H new ATOM 0 HA ASN A 64 10.882 1.250 -9.805 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.889 0.314 -11.937 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.461 -0.825 -10.734 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.571 -0.914 -11.936 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.840 0.020 -12.734 1.00 0.00 H new ATOM 168 N LYS A 65 8.588 3.128 -9.435 1.00 0.00 N ATOM 169 CA LYS A 65 8.117 4.450 -9.744 1.00 0.00 C ATOM 170 C LYS A 65 6.725 4.347 -10.288 1.00 0.00 C ATOM 171 O LYS A 65 6.113 5.355 -10.646 1.00 0.00 O ATOM 172 CB LYS A 65 8.996 5.259 -10.712 1.00 0.00 C ATOM 173 CG LYS A 65 10.492 5.180 -10.391 1.00 0.00 C ATOM 174 CD LYS A 65 10.927 6.105 -9.248 1.00 0.00 C ATOM 175 CE LYS A 65 12.234 5.671 -8.578 1.00 0.00 C ATOM 176 NZ LYS A 65 12.559 6.578 -7.482 1.00 0.00 N ATOM 0 H LYS A 65 8.514 2.876 -8.449 1.00 0.00 H new ATOM 0 HA LYS A 65 8.153 5.007 -8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.831 4.899 -11.727 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.682 6.303 -10.689 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.745 4.152 -10.131 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.060 5.431 -11.286 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.044 7.117 -9.634 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.137 6.140 -8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.138 4.652 -8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.043 5.666 -9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.447 6.276 -7.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.669 7.544 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.793 6.561 -6.779 1.00 0.00 H new ATOM 190 N GLN A 66 6.164 3.122 -10.317 1.00 0.00 N ATOM 191 CA GLN A 66 4.864 2.938 -10.899 1.00 0.00 C ATOM 192 C GLN A 66 3.842 3.268 -9.872 1.00 0.00 C ATOM 193 O GLN A 66 4.144 3.858 -8.843 1.00 0.00 O ATOM 194 CB GLN A 66 4.607 1.530 -11.447 1.00 0.00 C ATOM 195 CG GLN A 66 4.483 1.482 -12.972 1.00 0.00 C ATOM 196 CD GLN A 66 3.007 1.358 -13.325 1.00 0.00 C ATOM 197 OE1 GLN A 66 2.501 0.265 -13.582 1.00 0.00 O ATOM 198 NE2 GLN A 66 2.279 2.501 -13.318 1.00 0.00 N ATOM 0 H GLN A 66 6.597 2.276 -9.947 1.00 0.00 H new ATOM 0 HA GLN A 66 4.806 3.602 -11.762 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.419 0.874 -11.136 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.692 1.137 -11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.906 2.383 -13.416 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.042 0.636 -13.373 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.728 3.391 -13.101 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.282 2.472 -13.530 1.00 0.00 H new ATOM 207 N ARG A 67 2.559 3.037 -10.209 1.00 0.00 N ATOM 208 CA ARG A 67 1.516 3.412 -9.310 1.00 0.00 C ATOM 209 C ARG A 67 0.236 2.838 -9.824 1.00 0.00 C ATOM 210 O ARG A 67 0.167 2.348 -10.952 1.00 0.00 O ATOM 211 CB ARG A 67 1.355 4.929 -9.188 1.00 0.00 C ATOM 212 CG ARG A 67 1.355 5.659 -10.535 1.00 0.00 C ATOM 213 CD ARG A 67 2.636 6.456 -10.794 1.00 0.00 C ATOM 214 NE ARG A 67 2.600 6.914 -12.214 1.00 0.00 N ATOM 215 CZ ARG A 67 3.717 7.420 -12.806 1.00 0.00 C ATOM 216 NH1 ARG A 67 4.930 7.286 -12.232 1.00 0.00 N ATOM 217 NH2 ARG A 67 3.647 7.920 -14.060 1.00 0.00 N ATOM 0 H ARG A 67 2.251 2.603 -11.079 1.00 0.00 H new ATOM 0 HA ARG A 67 1.772 3.031 -8.321 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.422 5.146 -8.667 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.163 5.323 -8.571 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.221 4.931 -11.335 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.501 6.335 -10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.701 7.308 -10.118 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.515 5.838 -10.613 1.00 0.00 H new ATOM 0 HE ARG A 67 1.732 6.847 -12.745 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.021 6.799 -11.340 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.756 7.671 -12.690 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.759 7.918 -14.561 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.483 8.299 -14.505 1.00 0.00 H new ATOM 231 N THR A 68 -0.798 2.881 -8.963 1.00 0.00 N ATOM 232 CA THR A 68 -2.115 2.461 -9.339 1.00 0.00 C ATOM 233 C THR A 68 -3.015 2.834 -8.198 1.00 0.00 C ATOM 234 O THR A 68 -2.560 3.391 -7.199 1.00 0.00 O ATOM 235 CB THR A 68 -2.237 0.955 -9.637 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.509 0.664 -10.201 1.00 0.00 O ATOM 237 CG2 THR A 68 -1.977 0.048 -8.425 1.00 0.00 C ATOM 0 H THR A 68 -0.721 3.209 -8.000 1.00 0.00 H new ATOM 0 HA THR A 68 -2.386 2.952 -10.274 1.00 0.00 H new ATOM 0 HB THR A 68 -1.447 0.732 -10.353 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.572 -0.296 -10.387 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.083 -0.995 -8.722 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.967 0.218 -8.053 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.696 0.276 -7.639 1.00 0.00 H new ATOM 245 N VAL A 69 -4.326 2.561 -8.333 1.00 0.00 N ATOM 246 CA VAL A 69 -5.234 2.818 -7.254 1.00 0.00 C ATOM 247 C VAL A 69 -5.827 1.509 -6.860 1.00 0.00 C ATOM 248 O VAL A 69 -5.996 0.612 -7.685 1.00 0.00 O ATOM 249 CB VAL A 69 -6.357 3.808 -7.596 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.046 3.519 -8.935 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.387 4.006 -6.465 1.00 0.00 C ATOM 0 H VAL A 69 -4.753 2.169 -9.172 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.671 3.287 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.836 4.759 -7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.828 4.259 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.313 3.570 -9.740 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.488 2.523 -8.909 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.146 4.719 -6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.860 3.052 -6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.883 4.387 -5.577 1.00 0.00 H new ATOM 261 N VAL A 70 -6.149 1.377 -5.561 1.00 0.00 N ATOM 262 CA VAL A 70 -6.698 0.150 -5.068 1.00 0.00 C ATOM 263 C VAL A 70 -7.901 0.496 -4.254 1.00 0.00 C ATOM 264 O VAL A 70 -7.994 1.583 -3.683 1.00 0.00 O ATOM 265 CB VAL A 70 -5.715 -0.650 -4.204 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.512 -1.173 -4.991 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.187 0.125 -2.989 1.00 0.00 C ATOM 0 H VAL A 70 -6.032 2.108 -4.859 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.942 -0.483 -5.921 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.315 -1.489 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.855 -1.730 -4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.857 -1.829 -5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.966 -0.334 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.498 -0.505 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.666 1.021 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.022 0.411 -2.349 1.00 0.00 H new ATOM 277 N ASN A 71 -8.846 -0.458 -4.166 1.00 0.00 N ATOM 278 CA ASN A 71 -10.043 -0.244 -3.406 1.00 0.00 C ATOM 279 C ASN A 71 -10.001 -1.211 -2.269 1.00 0.00 C ATOM 280 O ASN A 71 -9.541 -2.342 -2.428 1.00 0.00 O ATOM 281 CB ASN A 71 -11.324 -0.532 -4.208 1.00 0.00 C ATOM 282 CG ASN A 71 -11.289 0.296 -5.488 1.00 0.00 C ATOM 283 OD1 ASN A 71 -11.673 1.465 -5.500 1.00 0.00 O ATOM 284 ND2 ASN A 71 -10.851 -0.329 -6.615 1.00 0.00 N ATOM 0 H ASN A 71 -8.784 -1.371 -4.616 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.075 0.801 -3.098 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.392 -1.594 -4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.205 -0.280 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.835 0.173 -7.503 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.539 -1.299 -6.572 1.00 0.00 H new ATOM 291 N VAL A 72 -10.484 -0.787 -1.085 1.00 0.00 N ATOM 292 CA VAL A 72 -10.448 -1.658 0.052 1.00 0.00 C ATOM 293 C VAL A 72 -11.856 -2.073 0.348 1.00 0.00 C ATOM 294 O VAL A 72 -12.817 -1.421 -0.064 1.00 0.00 O ATOM 295 CB VAL A 72 -9.802 -1.042 1.307 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.770 -0.233 2.179 1.00 0.00 C ATOM 297 CG2 VAL A 72 -9.155 -2.075 2.245 1.00 0.00 C ATOM 0 H VAL A 72 -10.889 0.134 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.814 -2.507 -0.202 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.046 -0.389 0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.236 0.166 3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -11.184 0.590 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.579 -0.879 2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.722 -1.564 3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.912 -2.782 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.372 -2.612 1.710 1.00 0.00 H new ATOM 307 N ARG A 73 -11.995 -3.182 1.094 1.00 0.00 N ATOM 308 CA ARG A 73 -13.278 -3.587 1.579 1.00 0.00 C ATOM 309 C ARG A 73 -13.062 -4.101 2.966 1.00 0.00 C ATOM 310 O ARG A 73 -12.023 -3.853 3.580 1.00 0.00 O ATOM 311 CB ARG A 73 -13.940 -4.673 0.709 1.00 0.00 C ATOM 312 CG ARG A 73 -15.475 -4.631 0.723 1.00 0.00 C ATOM 313 CD ARG A 73 -16.051 -3.214 0.612 1.00 0.00 C ATOM 314 NE ARG A 73 -16.223 -2.688 1.999 1.00 0.00 N ATOM 315 CZ ARG A 73 -16.183 -1.350 2.244 1.00 0.00 C ATOM 316 NH1 ARG A 73 -15.629 -0.501 1.352 1.00 0.00 N ATOM 317 NH2 ARG A 73 -16.445 -0.881 3.484 1.00 0.00 N ATOM 0 H ARG A 73 -11.225 -3.796 1.361 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.958 -2.736 1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.593 -4.563 -0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.610 -5.653 1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.854 -5.234 -0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.834 -5.089 1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.382 -2.572 0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.006 -3.229 0.087 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.372 -3.338 2.771 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.234 -0.861 0.483 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.605 0.500 1.547 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.673 -1.530 4.237 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.415 0.122 3.667 1.00 0.00 H new ATOM 331 N ASN A 74 -14.033 -4.866 3.495 1.00 0.00 N ATOM 332 CA ASN A 74 -13.929 -5.337 4.844 1.00 0.00 C ATOM 333 C ASN A 74 -13.197 -6.644 4.817 1.00 0.00 C ATOM 334 O ASN A 74 -13.777 -7.688 4.515 1.00 0.00 O ATOM 335 CB ASN A 74 -15.267 -5.498 5.589 1.00 0.00 C ATOM 336 CG ASN A 74 -16.390 -5.609 4.561 1.00 0.00 C ATOM 337 OD1 ASN A 74 -16.967 -4.604 4.141 1.00 0.00 O ATOM 338 ND2 ASN A 74 -16.654 -6.852 4.081 1.00 0.00 N ATOM 0 H ASN A 74 -14.877 -5.156 3.001 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.394 -4.571 5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.243 -6.386 6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.439 -4.645 6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.351 -6.978 3.347 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.155 -7.659 4.454 1.00 0.00 H new ATOM 345 N GLY A 75 -11.890 -6.596 5.139 1.00 0.00 N ATOM 346 CA GLY A 75 -11.119 -7.799 5.276 1.00 0.00 C ATOM 347 C GLY A 75 -10.216 -7.905 4.087 1.00 0.00 C ATOM 348 O GLY A 75 -10.151 -8.946 3.439 1.00 0.00 O ATOM 0 H GLY A 75 -11.370 -5.734 5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.536 -7.776 6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.775 -8.668 5.336 1.00 0.00 H new ATOM 352 N MET A 76 -9.433 -6.840 3.813 1.00 0.00 N ATOM 353 CA MET A 76 -8.488 -6.895 2.736 1.00 0.00 C ATOM 354 C MET A 76 -7.150 -7.144 3.338 1.00 0.00 C ATOM 355 O MET A 76 -6.607 -8.233 3.193 1.00 0.00 O ATOM 356 CB MET A 76 -8.421 -5.593 1.927 1.00 0.00 C ATOM 357 CG MET A 76 -9.764 -5.178 1.339 1.00 0.00 C ATOM 358 SD MET A 76 -10.155 -6.218 -0.107 1.00 0.00 S ATOM 359 CE MET A 76 -11.189 -7.496 0.682 1.00 0.00 C ATOM 0 H MET A 76 -9.453 -5.958 4.326 1.00 0.00 H new ATOM 0 HA MET A 76 -8.798 -7.682 2.049 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.051 -4.794 2.569 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.700 -5.713 1.119 1.00 0.00 H new ATOM 0 HG2 MET A 76 -10.547 -5.277 2.091 1.00 0.00 H new ATOM 0 HG3 MET A 76 -9.734 -4.129 1.046 1.00 0.00 H new ATOM 0 HE1 MET A 76 -12.072 -7.679 0.069 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.616 -8.418 0.779 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.498 -7.155 1.670 1.00 0.00 H new ATOM 369 N SER A 77 -6.626 -6.136 4.066 1.00 0.00 N ATOM 370 CA SER A 77 -5.313 -6.231 4.647 1.00 0.00 C ATOM 371 C SER A 77 -4.320 -5.901 3.597 1.00 0.00 C ATOM 372 O SER A 77 -4.336 -6.527 2.556 1.00 0.00 O ATOM 373 CB SER A 77 -4.894 -7.596 5.178 1.00 0.00 C ATOM 374 OG SER A 77 -5.890 -8.116 6.049 1.00 0.00 O ATOM 0 H SER A 77 -7.108 -5.257 4.253 1.00 0.00 H new ATOM 0 HA SER A 77 -5.349 -5.553 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.734 -8.283 4.347 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.946 -7.511 5.709 1.00 0.00 H new ATOM 0 HG SER A 77 -5.608 -8.994 6.381 1.00 0.00 H new ATOM 380 N LEU A 78 -3.244 -5.209 4.021 1.00 0.00 N ATOM 381 CA LEU A 78 -2.251 -4.677 3.129 1.00 0.00 C ATOM 382 C LEU A 78 -1.844 -5.732 2.137 1.00 0.00 C ATOM 383 O LEU A 78 -2.069 -5.580 0.952 1.00 0.00 O ATOM 384 CB LEU A 78 -1.021 -4.228 3.921 1.00 0.00 C ATOM 385 CG LEU A 78 -0.881 -2.712 4.038 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.717 -2.020 2.728 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.150 -2.004 4.468 1.00 0.00 C ATOM 0 H LEU A 78 -3.058 -5.014 5.005 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.673 -3.821 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.069 -4.657 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.127 -4.630 3.444 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.040 -2.649 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.624 -0.947 2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.180 -2.390 2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.587 -2.217 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.966 -0.931 4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.939 -2.198 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.459 -2.373 5.446 1.00 0.00 H new ATOM 399 N HIS A 79 -1.315 -6.869 2.625 1.00 0.00 N ATOM 400 CA HIS A 79 -0.732 -7.864 1.760 1.00 0.00 C ATOM 401 C HIS A 79 -1.767 -8.302 0.765 1.00 0.00 C ATOM 402 O HIS A 79 -1.545 -8.203 -0.432 1.00 0.00 O ATOM 403 CB HIS A 79 -0.299 -9.118 2.538 1.00 0.00 C ATOM 404 CG HIS A 79 1.186 -9.329 2.566 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.787 -10.116 3.505 1.00 0.00 N ATOM 406 CD2 HIS A 79 2.176 -8.796 1.815 1.00 0.00 C ATOM 407 CE1 HIS A 79 3.098 -9.992 3.379 1.00 0.00 C ATOM 408 NE2 HIS A 79 3.360 -9.253 2.315 1.00 0.00 N ATOM 0 H HIS A 79 -1.288 -7.105 3.617 1.00 0.00 H new ATOM 0 HA HIS A 79 0.140 -7.416 1.284 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.666 -9.044 3.562 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.773 -9.993 2.092 1.00 0.00 H new ATOM 0 HD1 HIS A 79 1.307 -10.701 4.189 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.052 -8.130 0.974 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.835 -10.425 4.039 1.00 0.00 H new ATOM 417 N ASP A 80 -2.951 -8.731 1.246 1.00 0.00 N ATOM 418 CA ASP A 80 -3.927 -9.312 0.367 1.00 0.00 C ATOM 419 C ASP A 80 -4.603 -8.197 -0.386 1.00 0.00 C ATOM 420 O ASP A 80 -5.260 -8.431 -1.397 1.00 0.00 O ATOM 421 CB ASP A 80 -4.994 -10.119 1.114 1.00 0.00 C ATOM 422 CG ASP A 80 -4.331 -11.356 1.701 1.00 0.00 C ATOM 423 OD1 ASP A 80 -3.540 -11.198 2.670 1.00 0.00 O ATOM 424 OD2 ASP A 80 -4.603 -12.471 1.185 1.00 0.00 O ATOM 0 H ASP A 80 -3.231 -8.678 2.225 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.408 -10.000 -0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.442 -9.517 1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.798 -10.404 0.436 1.00 0.00 H new ATOM 429 N CYS A 81 -4.423 -6.947 0.082 1.00 0.00 N ATOM 430 CA CYS A 81 -5.054 -5.819 -0.540 1.00 0.00 C ATOM 431 C CYS A 81 -4.137 -5.319 -1.630 1.00 0.00 C ATOM 432 O CYS A 81 -4.571 -4.657 -2.570 1.00 0.00 O ATOM 433 CB CYS A 81 -5.264 -4.692 0.486 1.00 0.00 C ATOM 434 SG CYS A 81 -6.498 -3.504 -0.143 1.00 0.00 S ATOM 0 H CYS A 81 -3.843 -6.716 0.888 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.023 -6.114 -0.943 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.599 -5.110 1.435 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.320 -4.182 0.678 1.00 0.00 H new ATOM 0 HG CYS A 81 -6.350 -3.364 -1.427 1.00 0.00 H new ATOM 440 N LEU A 82 -2.829 -5.616 -1.502 1.00 0.00 N ATOM 441 CA LEU A 82 -1.845 -5.118 -2.426 1.00 0.00 C ATOM 442 C LEU A 82 -1.517 -6.224 -3.342 1.00 0.00 C ATOM 443 O LEU A 82 -0.949 -6.027 -4.409 1.00 0.00 O ATOM 444 CB LEU A 82 -0.553 -4.801 -1.683 1.00 0.00 C ATOM 445 CG LEU A 82 -0.673 -3.588 -0.770 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.551 -2.667 -0.810 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.895 -2.734 -1.076 1.00 0.00 C ATOM 0 H LEU A 82 -2.449 -6.202 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.230 -4.233 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.260 -5.667 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.243 -4.626 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.763 -4.027 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.395 -1.825 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.435 -3.223 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.695 -2.297 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.926 -1.885 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.838 -2.372 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.797 -3.333 -0.952 1.00 0.00 H new ATOM 459 N MET A 83 -1.946 -7.418 -2.935 1.00 0.00 N ATOM 460 CA MET A 83 -1.837 -8.593 -3.742 1.00 0.00 C ATOM 461 C MET A 83 -2.899 -8.491 -4.799 1.00 0.00 C ATOM 462 O MET A 83 -3.383 -9.465 -5.360 1.00 0.00 O ATOM 463 CB MET A 83 -2.191 -9.749 -2.821 1.00 0.00 C ATOM 464 CG MET A 83 -2.326 -11.082 -3.538 1.00 0.00 C ATOM 465 SD MET A 83 -1.779 -12.427 -2.437 1.00 0.00 S ATOM 466 CE MET A 83 0.016 -12.123 -2.456 1.00 0.00 C ATOM 0 H MET A 83 -2.380 -7.579 -2.026 1.00 0.00 H new ATOM 0 HA MET A 83 -0.853 -8.718 -4.194 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.424 -9.837 -2.051 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.129 -9.523 -2.313 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.362 -11.242 -3.837 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.728 -11.078 -4.449 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.545 -13.053 -2.248 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.311 -11.749 -3.436 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.268 -11.384 -1.695 1.00 0.00 H new ATOM 476 N LYS A 84 -3.550 -7.329 -4.838 1.00 0.00 N ATOM 477 CA LYS A 84 -4.326 -6.934 -5.973 1.00 0.00 C ATOM 478 C LYS A 84 -3.388 -6.268 -6.910 1.00 0.00 C ATOM 479 O LYS A 84 -3.270 -6.649 -8.074 1.00 0.00 O ATOM 480 CB LYS A 84 -5.264 -5.790 -5.582 1.00 0.00 C ATOM 481 CG LYS A 84 -6.631 -6.263 -5.124 1.00 0.00 C ATOM 482 CD LYS A 84 -6.582 -7.138 -3.870 1.00 0.00 C ATOM 483 CE LYS A 84 -7.917 -7.208 -3.124 1.00 0.00 C ATOM 484 NZ LYS A 84 -7.854 -8.227 -2.080 1.00 0.00 N ATOM 0 H LYS A 84 -3.543 -6.649 -4.078 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.856 -7.802 -6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.803 -5.208 -4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.385 -5.122 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.261 -5.395 -4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.103 -6.824 -5.931 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.278 -8.146 -4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.818 -6.751 -3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.148 -6.238 -2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.721 -7.440 -3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.518 -7.984 -1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.111 -9.151 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.888 -8.272 -1.697 1.00 0.00 H new ATOM 498 N ALA A 85 -2.676 -5.277 -6.352 1.00 0.00 N ATOM 499 CA ALA A 85 -2.066 -4.240 -7.141 1.00 0.00 C ATOM 500 C ALA A 85 -0.767 -4.737 -7.704 1.00 0.00 C ATOM 501 O ALA A 85 -0.092 -4.011 -8.427 1.00 0.00 O ATOM 502 CB ALA A 85 -1.704 -3.214 -6.051 1.00 0.00 C ATOM 0 H ALA A 85 -2.518 -5.188 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.693 -3.882 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.222 -2.351 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.611 -2.893 -5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.023 -3.671 -5.333 1.00 0.00 H new ATOM 508 N LEU A 86 -0.364 -5.963 -7.339 1.00 0.00 N ATOM 509 CA LEU A 86 0.936 -6.451 -7.703 1.00 0.00 C ATOM 510 C LEU A 86 0.729 -7.759 -8.334 1.00 0.00 C ATOM 511 O LEU A 86 1.507 -8.180 -9.169 1.00 0.00 O ATOM 512 CB LEU A 86 1.711 -6.724 -6.429 1.00 0.00 C ATOM 513 CG LEU A 86 1.811 -5.489 -5.541 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.900 -5.812 -4.077 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.810 -4.457 -6.050 1.00 0.00 C ATOM 0 H LEU A 86 -0.929 -6.616 -6.796 1.00 0.00 H new ATOM 0 HA LEU A 86 1.455 -5.741 -8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.226 -7.529 -5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.713 -7.070 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 86 0.853 -4.976 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.969 -4.887 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.011 -6.363 -3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.785 -6.420 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.831 -3.605 -5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.802 -4.905 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.513 -4.122 -7.044 1.00 0.00 H new ATOM 527 N LYS A 87 -0.319 -8.451 -7.877 1.00 0.00 N ATOM 528 CA LYS A 87 -0.756 -9.659 -8.509 1.00 0.00 C ATOM 529 C LYS A 87 -1.125 -9.339 -9.925 1.00 0.00 C ATOM 530 O LYS A 87 -0.862 -10.120 -10.838 1.00 0.00 O ATOM 531 CB LYS A 87 -2.046 -10.063 -7.837 1.00 0.00 C ATOM 532 CG LYS A 87 -2.290 -11.561 -7.833 1.00 0.00 C ATOM 533 CD LYS A 87 -3.219 -12.032 -8.957 1.00 0.00 C ATOM 534 CE LYS A 87 -3.540 -13.527 -8.896 1.00 0.00 C ATOM 535 NZ LYS A 87 -4.423 -13.894 -10.000 1.00 0.00 N ATOM 0 H LYS A 87 -0.872 -8.177 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 87 0.017 -10.426 -8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.038 -9.703 -6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.877 -9.570 -8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.334 -12.077 -7.922 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.719 -11.849 -6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.149 -11.466 -8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.757 -11.806 -9.918 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.619 -14.107 -8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.015 -13.767 -7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.636 -14.911 -9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.308 -13.351 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.955 -13.682 -10.904 1.00 0.00 H new ATOM 549 N VAL A 88 -1.749 -8.161 -10.111 1.00 0.00 N ATOM 550 CA VAL A 88 -2.184 -7.734 -11.414 1.00 0.00 C ATOM 551 C VAL A 88 -0.957 -7.447 -12.252 1.00 0.00 C ATOM 552 O VAL A 88 -1.022 -7.384 -13.478 1.00 0.00 O ATOM 553 CB VAL A 88 -3.058 -6.475 -11.308 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.314 -5.247 -10.787 1.00 0.00 C ATOM 555 CG2 VAL A 88 -3.633 -5.979 -12.625 1.00 0.00 C ATOM 0 H VAL A 88 -1.954 -7.501 -9.361 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.783 -8.518 -11.877 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.833 -6.830 -10.629 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.998 -4.400 -10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.924 -5.454 -9.790 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.488 -5.010 -11.458 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.234 -5.088 -12.447 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.820 -5.737 -13.309 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.258 -6.756 -13.065 1.00 0.00 H new ATOM 565 N ARG A 89 0.207 -7.311 -11.587 1.00 0.00 N ATOM 566 CA ARG A 89 1.439 -7.034 -12.268 1.00 0.00 C ATOM 567 C ARG A 89 2.136 -8.336 -12.482 1.00 0.00 C ATOM 568 O ARG A 89 2.669 -8.603 -13.557 1.00 0.00 O ATOM 569 CB ARG A 89 2.331 -6.181 -11.371 1.00 0.00 C ATOM 570 CG ARG A 89 1.623 -4.938 -10.860 1.00 0.00 C ATOM 571 CD ARG A 89 2.568 -3.939 -10.204 1.00 0.00 C ATOM 572 NE ARG A 89 1.779 -2.713 -9.887 1.00 0.00 N ATOM 573 CZ ARG A 89 1.595 -1.744 -10.826 1.00 0.00 C ATOM 574 NH1 ARG A 89 2.215 -1.820 -12.019 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.849 -0.655 -10.536 1.00 0.00 N ATOM 0 H ARG A 89 0.296 -7.393 -10.574 1.00 0.00 H new ATOM 0 HA ARG A 89 1.242 -6.517 -13.207 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.666 -6.779 -10.523 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.222 -5.886 -11.925 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.110 -4.452 -11.690 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.859 -5.232 -10.141 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.001 -4.361 -9.297 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.396 -3.700 -10.872 1.00 0.00 H new ATOM 0 HE ARG A 89 1.373 -2.600 -8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.829 -2.608 -12.226 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.071 -1.089 -12.716 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.424 -0.559 -9.614 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.711 0.071 -11.239 1.00 0.00 H new ATOM 589 N GLY A 90 2.179 -9.138 -11.410 1.00 0.00 N ATOM 590 CA GLY A 90 2.913 -10.372 -11.409 1.00 0.00 C ATOM 591 C GLY A 90 4.069 -10.201 -10.469 1.00 0.00 C ATOM 592 O GLY A 90 5.102 -10.850 -10.616 1.00 0.00 O ATOM 0 H GLY A 90 1.702 -8.935 -10.532 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.277 -11.198 -11.090 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.265 -10.611 -12.412 1.00 0.00 H new ATOM 596 N LEU A 91 3.902 -9.322 -9.459 1.00 0.00 N ATOM 597 CA LEU A 91 4.977 -9.018 -8.561 1.00 0.00 C ATOM 598 C LEU A 91 4.656 -9.648 -7.240 1.00 0.00 C ATOM 599 O LEU A 91 3.574 -10.197 -7.038 1.00 0.00 O ATOM 600 CB LEU A 91 5.117 -7.505 -8.327 1.00 0.00 C ATOM 601 CG LEU A 91 5.632 -6.736 -9.547 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.295 -5.404 -9.177 1.00 0.00 C ATOM 603 CD2 LEU A 91 6.566 -7.562 -10.434 1.00 0.00 C ATOM 0 H LEU A 91 3.031 -8.827 -9.266 1.00 0.00 H new ATOM 0 HA LEU A 91 5.905 -9.392 -8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.147 -7.100 -8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.795 -7.337 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 91 4.736 -6.516 -10.128 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.640 -4.905 -10.083 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.573 -4.768 -8.665 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.144 -5.591 -8.520 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.894 -6.957 -11.280 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.434 -7.877 -9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.036 -8.441 -10.801 1.00 0.00 H new ATOM 615 N GLN A 92 5.599 -9.528 -6.283 1.00 0.00 N ATOM 616 CA GLN A 92 5.418 -10.123 -4.991 1.00 0.00 C ATOM 617 C GLN A 92 5.411 -9.009 -3.979 1.00 0.00 C ATOM 618 O GLN A 92 6.291 -8.145 -3.971 1.00 0.00 O ATOM 619 CB GLN A 92 6.544 -11.102 -4.626 1.00 0.00 C ATOM 620 CG GLN A 92 6.516 -12.396 -5.450 1.00 0.00 C ATOM 621 CD GLN A 92 6.958 -13.550 -4.556 1.00 0.00 C ATOM 622 OE1 GLN A 92 8.149 -13.844 -4.445 1.00 0.00 O ATOM 623 NE2 GLN A 92 5.987 -14.280 -3.927 1.00 0.00 N ATOM 0 H GLN A 92 6.478 -9.024 -6.402 1.00 0.00 H new ATOM 0 HA GLN A 92 4.486 -10.688 -5.001 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.505 -10.609 -4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.469 -11.352 -3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.513 -12.578 -5.835 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.177 -12.310 -6.312 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.006 -14.021 -4.031 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.244 -15.084 -3.354 1.00 0.00 H new ATOM 632 N PRO A 93 4.469 -9.146 -3.056 1.00 0.00 N ATOM 633 CA PRO A 93 4.479 -8.048 -2.110 1.00 0.00 C ATOM 634 C PRO A 93 5.301 -8.548 -0.950 1.00 0.00 C ATOM 635 O PRO A 93 5.783 -7.763 -0.138 1.00 0.00 O ATOM 636 CB PRO A 93 3.047 -7.898 -1.629 1.00 0.00 C ATOM 637 CG PRO A 93 2.277 -9.098 -2.169 1.00 0.00 C ATOM 638 CD PRO A 93 3.138 -9.677 -3.283 1.00 0.00 C ATOM 0 HA PRO A 93 4.861 -7.113 -2.520 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.005 -7.869 -0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.613 -6.965 -1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.103 -9.836 -1.386 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.300 -8.798 -2.546 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.139 -10.767 -3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.761 -9.386 -4.263 1.00 0.00 H new ATOM 646 N GLU A 94 5.540 -9.875 -0.869 1.00 0.00 N ATOM 647 CA GLU A 94 6.148 -10.445 0.303 1.00 0.00 C ATOM 648 C GLU A 94 7.611 -10.097 0.297 1.00 0.00 C ATOM 649 O GLU A 94 8.309 -10.301 1.287 1.00 0.00 O ATOM 650 CB GLU A 94 6.041 -11.975 0.362 1.00 0.00 C ATOM 651 CG GLU A 94 4.605 -12.499 0.224 1.00 0.00 C ATOM 652 CD GLU A 94 4.391 -12.934 -1.221 1.00 0.00 C ATOM 653 OE1 GLU A 94 4.607 -12.091 -2.133 1.00 0.00 O ATOM 654 OE2 GLU A 94 4.036 -14.122 -1.440 1.00 0.00 O ATOM 0 H GLU A 94 5.316 -10.546 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 94 5.618 -10.038 1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.653 -12.404 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.456 -12.323 1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.440 -13.337 0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.890 -11.723 0.497 1.00 0.00 H new ATOM 661 N CYS A 95 8.104 -9.544 -0.828 1.00 0.00 N ATOM 662 CA CYS A 95 9.505 -9.269 -0.950 1.00 0.00 C ATOM 663 C CYS A 95 9.699 -7.787 -0.784 1.00 0.00 C ATOM 664 O CYS A 95 10.795 -7.265 -0.995 1.00 0.00 O ATOM 665 CB CYS A 95 10.046 -9.653 -2.332 1.00 0.00 C ATOM 666 SG CYS A 95 10.013 -11.465 -2.518 1.00 0.00 S ATOM 0 H CYS A 95 7.543 -9.290 -1.641 1.00 0.00 H new ATOM 0 HA CYS A 95 10.035 -9.850 -0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.445 -9.186 -3.112 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.065 -9.283 -2.451 1.00 0.00 H new ATOM 0 HG CYS A 95 10.470 -11.789 -3.691 1.00 0.00 H new ATOM 672 N CYS A 96 8.639 -7.067 -0.366 1.00 0.00 N ATOM 673 CA CYS A 96 8.688 -5.634 -0.390 1.00 0.00 C ATOM 674 C CYS A 96 8.206 -5.134 0.943 1.00 0.00 C ATOM 675 O CYS A 96 7.763 -5.907 1.791 1.00 0.00 O ATOM 676 CB CYS A 96 7.739 -5.073 -1.458 1.00 0.00 C ATOM 677 SG CYS A 96 8.343 -5.521 -3.119 1.00 0.00 S ATOM 0 H CYS A 96 7.766 -7.465 -0.019 1.00 0.00 H new ATOM 0 HA CYS A 96 9.708 -5.318 -0.608 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.734 -5.468 -1.308 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.673 -3.989 -1.365 1.00 0.00 H new ATOM 0 HG CYS A 96 7.650 -6.520 -3.578 1.00 0.00 H new ATOM 683 N ALA A 97 8.295 -3.800 1.139 1.00 0.00 N ATOM 684 CA ALA A 97 7.739 -3.170 2.302 1.00 0.00 C ATOM 685 C ALA A 97 6.869 -2.063 1.805 1.00 0.00 C ATOM 686 O ALA A 97 7.252 -1.305 0.924 1.00 0.00 O ATOM 687 CB ALA A 97 8.782 -2.539 3.247 1.00 0.00 C ATOM 0 H ALA A 97 8.752 -3.159 0.491 1.00 0.00 H new ATOM 0 HA ALA A 97 7.220 -3.938 2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.274 -2.086 4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.466 -3.310 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.344 -1.774 2.710 1.00 0.00 H new ATOM 693 N VAL A 98 5.672 -1.920 2.397 1.00 0.00 N ATOM 694 CA VAL A 98 4.746 -0.924 1.945 1.00 0.00 C ATOM 695 C VAL A 98 4.726 0.168 2.975 1.00 0.00 C ATOM 696 O VAL A 98 5.021 -0.052 4.152 1.00 0.00 O ATOM 697 CB VAL A 98 3.338 -1.501 1.767 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.916 -2.411 2.916 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.254 -0.455 1.511 1.00 0.00 C ATOM 0 H VAL A 98 5.345 -2.486 3.180 1.00 0.00 H new ATOM 0 HA VAL A 98 5.060 -0.546 0.972 1.00 0.00 H new ATOM 0 HB VAL A 98 3.425 -2.101 0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.910 -2.788 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.609 -3.249 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.927 -1.848 3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.290 -0.951 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.210 0.236 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.488 0.096 0.600 1.00 0.00 H new ATOM 709 N PHE A 99 4.358 1.385 2.534 1.00 0.00 N ATOM 710 CA PHE A 99 4.486 2.543 3.365 1.00 0.00 C ATOM 711 C PHE A 99 3.345 3.448 3.052 1.00 0.00 C ATOM 712 O PHE A 99 2.738 3.365 1.983 1.00 0.00 O ATOM 713 CB PHE A 99 5.735 3.383 3.038 1.00 0.00 C ATOM 714 CG PHE A 99 6.926 2.678 3.586 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.500 1.623 2.897 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.593 3.132 4.742 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.785 1.221 3.171 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.871 2.718 5.020 1.00 0.00 C ATOM 719 CZ PHE A 99 9.497 1.842 4.170 1.00 0.00 C ATOM 0 H PHE A 99 3.974 1.567 1.607 1.00 0.00 H new ATOM 0 HA PHE A 99 4.532 2.190 4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.833 3.514 1.960 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.649 4.378 3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.931 1.110 2.135 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.093 3.812 5.415 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.234 0.420 2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.380 3.079 5.901 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.552 1.640 4.286 1.00 0.00 H new ATOM 729 N ARG A 100 3.104 4.400 3.969 1.00 0.00 N ATOM 730 CA ARG A 100 2.393 5.591 3.628 1.00 0.00 C ATOM 731 C ARG A 100 3.427 6.584 3.202 1.00 0.00 C ATOM 732 O ARG A 100 4.532 6.619 3.744 1.00 0.00 O ATOM 733 CB ARG A 100 1.667 6.201 4.822 1.00 0.00 C ATOM 734 CG ARG A 100 0.240 5.680 4.997 1.00 0.00 C ATOM 735 CD ARG A 100 -0.296 5.832 6.423 1.00 0.00 C ATOM 736 NE ARG A 100 -1.040 7.126 6.507 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.382 8.305 6.689 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.936 8.329 6.966 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.072 9.468 6.710 1.00 0.00 N ATOM 0 H ARG A 100 3.400 4.346 4.944 1.00 0.00 H new ATOM 0 HA ARG A 100 1.654 5.352 2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.235 5.993 5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.638 7.284 4.706 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.419 6.212 4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.209 4.627 4.716 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.953 4.999 6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.524 5.818 7.141 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.057 7.126 6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.457 7.455 7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.413 9.221 7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.085 9.462 6.590 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.580 10.351 6.846 1.00 0.00 H new ATOM 753 N LEU A 101 3.072 7.462 2.250 1.00 0.00 N ATOM 754 CA LEU A 101 4.020 8.411 1.750 1.00 0.00 C ATOM 755 C LEU A 101 4.016 9.586 2.679 1.00 0.00 C ATOM 756 O LEU A 101 3.368 9.577 3.727 1.00 0.00 O ATOM 757 CB LEU A 101 3.578 8.899 0.364 1.00 0.00 C ATOM 758 CG LEU A 101 3.834 7.877 -0.743 1.00 0.00 C ATOM 759 CD1 LEU A 101 2.891 8.039 -1.930 1.00 0.00 C ATOM 760 CD2 LEU A 101 5.312 7.758 -1.120 1.00 0.00 C ATOM 0 H LEU A 101 2.144 7.517 1.830 1.00 0.00 H new ATOM 0 HA LEU A 101 5.008 7.955 1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.515 9.137 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.105 9.823 0.126 1.00 0.00 H new ATOM 0 HG LEU A 101 3.583 6.903 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.121 7.286 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.861 7.915 -1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.016 9.033 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.427 7.017 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.677 8.723 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.887 7.449 -0.247 1.00 0.00 H new ATOM 772 N LEU A 102 4.756 10.648 2.302 1.00 0.00 N ATOM 773 CA LEU A 102 4.888 11.786 3.149 1.00 0.00 C ATOM 774 C LEU A 102 3.660 12.635 3.009 1.00 0.00 C ATOM 775 O LEU A 102 3.577 13.537 2.179 1.00 0.00 O ATOM 776 CB LEU A 102 6.189 12.564 2.932 1.00 0.00 C ATOM 777 CG LEU A 102 6.315 13.253 1.566 1.00 0.00 C ATOM 778 CD1 LEU A 102 7.716 13.818 1.326 1.00 0.00 C ATOM 779 CD2 LEU A 102 5.948 12.356 0.382 1.00 0.00 C ATOM 0 H LEU A 102 5.258 10.714 1.416 1.00 0.00 H new ATOM 0 HA LEU A 102 4.965 11.443 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.277 13.320 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.028 11.880 3.055 1.00 0.00 H new ATOM 0 HG LEU A 102 5.590 14.065 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.753 14.295 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.949 14.553 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.446 13.009 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.062 12.915 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 102 6.606 11.487 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.914 12.026 0.482 1.00 0.00 H new ATOM 791 N HIS A 103 2.653 12.354 3.857 1.00 0.00 N ATOM 792 CA HIS A 103 1.528 13.232 3.975 1.00 0.00 C ATOM 793 C HIS A 103 1.672 13.941 5.287 1.00 0.00 C ATOM 794 O HIS A 103 0.926 14.870 5.592 1.00 0.00 O ATOM 795 CB HIS A 103 0.181 12.494 3.945 1.00 0.00 C ATOM 796 CG HIS A 103 -0.187 12.001 2.576 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.401 11.428 2.305 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.453 12.138 1.392 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.493 11.234 0.999 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.378 11.647 0.423 1.00 0.00 N ATOM 0 H HIS A 103 2.617 11.528 4.455 1.00 0.00 H new ATOM 0 HA HIS A 103 1.523 13.914 3.125 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.221 11.648 4.631 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.601 13.161 4.307 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -2.115 11.191 2.994 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.437 12.557 1.240 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.343 10.807 0.487 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.172 11.607 -0.575 1.00 0.00 H new ATOM 809 N GLU A 104 2.680 13.532 6.086 1.00 0.00 N ATOM 810 CA GLU A 104 2.916 14.173 7.345 1.00 0.00 C ATOM 811 C GLU A 104 4.320 13.844 7.774 1.00 0.00 C ATOM 812 O GLU A 104 4.585 13.557 8.942 1.00 0.00 O ATOM 813 CB GLU A 104 1.898 13.847 8.449 1.00 0.00 C ATOM 814 CG GLU A 104 1.884 12.376 8.880 1.00 0.00 C ATOM 815 CD GLU A 104 1.286 11.540 7.756 1.00 0.00 C ATOM 816 OE1 GLU A 104 0.078 11.709 7.437 1.00 0.00 O ATOM 817 OE2 GLU A 104 2.006 10.647 7.231 1.00 0.00 O ATOM 0 H GLU A 104 3.321 12.770 5.864 1.00 0.00 H new ATOM 0 HA GLU A 104 2.787 15.245 7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.113 14.466 9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.902 14.121 8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.896 12.039 9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.299 12.256 9.792 1.00 0.00 H new ATOM 824 N HIS A 105 5.276 13.874 6.821 1.00 0.00 N ATOM 825 CA HIS A 105 6.655 13.665 7.167 1.00 0.00 C ATOM 826 C HIS A 105 7.434 14.775 6.534 1.00 0.00 C ATOM 827 O HIS A 105 6.900 15.547 5.740 1.00 0.00 O ATOM 828 CB HIS A 105 7.261 12.333 6.683 1.00 0.00 C ATOM 829 CG HIS A 105 6.285 11.194 6.675 1.00 0.00 C ATOM 830 ND1 HIS A 105 6.024 10.278 5.723 1.00 0.00 N flip ATOM 831 CD2 HIS A 105 5.451 10.932 7.726 1.00 0.00 C flip ATOM 832 CE1 HIS A 105 4.968 9.530 6.161 1.00 0.00 C flip ATOM 833 NE2 HIS A 105 4.651 9.935 7.380 1.00 0.00 N flip ATOM 0 H HIS A 105 5.101 14.039 5.830 1.00 0.00 H new ATOM 0 HA HIS A 105 6.706 13.639 8.256 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.656 12.468 5.676 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.104 12.073 7.324 1.00 0.00 H new ATOM 0 HD1 HIS A 105 6.522 10.164 4.840 1.00 0.00 H new ATOM 0 HD2 HIS A 105 5.445 11.449 8.674 1.00 0.00 H new ATOM 0 HE1 HIS A 105 4.477 8.744 5.607 1.00 0.00 H new ATOM 842 N LYS A 106 8.749 14.836 6.829 1.00 0.00 N ATOM 843 CA LYS A 106 9.574 15.863 6.267 1.00 0.00 C ATOM 844 C LYS A 106 10.066 15.372 4.944 1.00 0.00 C ATOM 845 O LYS A 106 10.198 16.138 3.990 1.00 0.00 O ATOM 846 CB LYS A 106 10.778 16.173 7.164 1.00 0.00 C ATOM 847 CG LYS A 106 11.693 17.272 6.617 1.00 0.00 C ATOM 848 CD LYS A 106 11.051 18.664 6.620 1.00 0.00 C ATOM 849 CE LYS A 106 11.214 19.418 5.296 1.00 0.00 C ATOM 850 NZ LYS A 106 10.288 18.887 4.300 1.00 0.00 N ATOM 0 H LYS A 106 9.234 14.185 7.447 1.00 0.00 H new ATOM 0 HA LYS A 106 8.990 16.778 6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.418 16.471 8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.361 15.262 7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.607 17.301 7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.983 17.017 5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.989 18.564 6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.491 19.256 7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.027 20.481 5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.239 19.323 4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.475 19.333 3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.418 17.858 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.311 19.091 4.591 1.00 0.00 H new ATOM 864 N GLY A 107 10.355 14.064 4.871 1.00 0.00 N ATOM 865 CA GLY A 107 10.815 13.483 3.644 1.00 0.00 C ATOM 866 C GLY A 107 11.156 12.055 3.920 1.00 0.00 C ATOM 867 O GLY A 107 12.305 11.646 3.778 1.00 0.00 O ATOM 0 H GLY A 107 10.273 13.411 5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.045 13.551 2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.687 14.019 3.270 1.00 0.00 H new ATOM 871 N LYS A 108 10.142 11.253 4.302 1.00 0.00 N ATOM 872 CA LYS A 108 10.357 9.858 4.500 1.00 0.00 C ATOM 873 C LYS A 108 9.078 9.187 4.125 1.00 0.00 C ATOM 874 O LYS A 108 8.239 9.763 3.433 1.00 0.00 O ATOM 875 CB LYS A 108 10.686 9.514 5.960 1.00 0.00 C ATOM 876 CG LYS A 108 12.081 9.972 6.389 1.00 0.00 C ATOM 877 CD LYS A 108 12.805 8.960 7.279 1.00 0.00 C ATOM 878 CE LYS A 108 14.119 9.488 7.863 1.00 0.00 C ATOM 879 NZ LYS A 108 15.094 9.697 6.797 1.00 0.00 N ATOM 0 H LYS A 108 9.187 11.569 4.471 1.00 0.00 H new ATOM 0 HA LYS A 108 11.206 9.531 3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.943 9.975 6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.606 8.436 6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.683 10.159 5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.997 10.919 6.922 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.145 8.669 8.096 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.010 8.060 6.699 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.941 10.424 8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.512 8.780 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.992 10.023 7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.249 8.803 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.736 10.414 6.135 1.00 0.00 H new ATOM 893 N LYS A 109 8.880 7.966 4.635 1.00 0.00 N ATOM 894 CA LYS A 109 7.676 7.251 4.388 1.00 0.00 C ATOM 895 C LYS A 109 7.347 6.564 5.666 1.00 0.00 C ATOM 896 O LYS A 109 8.233 6.072 6.363 1.00 0.00 O ATOM 897 CB LYS A 109 7.906 6.213 3.290 1.00 0.00 C ATOM 898 CG LYS A 109 7.852 6.765 1.871 1.00 0.00 C ATOM 899 CD LYS A 109 7.418 5.711 0.859 1.00 0.00 C ATOM 900 CE LYS A 109 8.370 4.514 0.789 1.00 0.00 C ATOM 901 NZ LYS A 109 9.583 4.887 0.066 1.00 0.00 N ATOM 0 H LYS A 109 9.555 7.473 5.220 1.00 0.00 H new ATOM 0 HA LYS A 109 6.872 7.912 4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.879 5.747 3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.157 5.428 3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.160 7.606 1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.834 7.149 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.419 5.358 1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.349 6.170 -0.127 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.624 4.180 1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.881 3.678 0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.131 4.032 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 9.325 5.372 -0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 10.157 5.523 0.656 1.00 0.00 H new ATOM 915 N ALA A 110 6.058 6.584 6.035 1.00 0.00 N ATOM 916 CA ALA A 110 5.645 5.999 7.279 1.00 0.00 C ATOM 917 C ALA A 110 5.340 4.573 6.999 1.00 0.00 C ATOM 918 O ALA A 110 4.515 4.255 6.149 1.00 0.00 O ATOM 919 CB ALA A 110 4.431 6.617 7.976 1.00 0.00 C ATOM 0 H ALA A 110 5.306 6.998 5.484 1.00 0.00 H new ATOM 0 HA ALA A 110 6.468 6.171 7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.230 6.079 8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.635 7.664 8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.562 6.549 7.321 1.00 0.00 H new ATOM 925 N ARG A 111 6.043 3.659 7.689 1.00 0.00 N ATOM 926 CA ARG A 111 6.053 2.308 7.260 1.00 0.00 C ATOM 927 C ARG A 111 4.920 1.630 7.932 1.00 0.00 C ATOM 928 O ARG A 111 4.568 1.946 9.067 1.00 0.00 O ATOM 929 CB ARG A 111 7.359 1.691 7.707 1.00 0.00 C ATOM 930 CG ARG A 111 7.600 0.297 7.154 1.00 0.00 C ATOM 931 CD ARG A 111 7.351 -0.785 8.200 1.00 0.00 C ATOM 932 NE ARG A 111 8.641 -1.028 8.915 1.00 0.00 N ATOM 933 CZ ARG A 111 9.712 -1.559 8.261 1.00 0.00 C ATOM 934 NH1 ARG A 111 9.593 -2.018 7.000 1.00 0.00 N ATOM 935 NH2 ARG A 111 10.898 -1.684 8.898 1.00 0.00 N ATOM 0 H ARG A 111 6.592 3.855 8.526 1.00 0.00 H new ATOM 0 HA ARG A 111 5.958 2.218 6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.180 2.340 7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.376 1.648 8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.948 0.129 6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.626 0.223 6.793 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.578 -0.469 8.901 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.997 -1.701 7.727 1.00 0.00 H new ATOM 0 HE ARG A 111 8.721 -0.793 9.904 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.693 -1.970 6.523 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.403 -2.413 6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.991 -1.381 9.868 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.700 -2.081 8.409 1.00 0.00 H new ATOM 949 N LEU A 112 4.328 0.667 7.216 1.00 0.00 N ATOM 950 CA LEU A 112 3.076 0.120 7.629 1.00 0.00 C ATOM 951 C LEU A 112 3.279 -1.333 7.874 1.00 0.00 C ATOM 952 O LEU A 112 4.403 -1.808 8.012 1.00 0.00 O ATOM 953 CB LEU A 112 2.005 0.265 6.546 1.00 0.00 C ATOM 954 CG LEU A 112 1.796 1.706 6.087 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.830 1.826 4.908 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.332 2.637 7.210 1.00 0.00 C ATOM 0 H LEU A 112 4.709 0.268 6.358 1.00 0.00 H new ATOM 0 HA LEU A 112 2.741 0.653 8.519 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.283 -0.345 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.061 -0.128 6.924 1.00 0.00 H new ATOM 0 HG LEU A 112 2.786 2.025 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.724 2.875 4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.219 1.263 4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.143 1.426 5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.203 3.645 6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.384 2.279 7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.079 2.650 8.004 1.00 0.00 H new ATOM 968 N ASP A 113 2.158 -2.070 7.918 1.00 0.00 N ATOM 969 CA ASP A 113 2.207 -3.480 8.171 1.00 0.00 C ATOM 970 C ASP A 113 1.704 -4.173 6.948 1.00 0.00 C ATOM 971 O ASP A 113 0.930 -3.640 6.178 1.00 0.00 O ATOM 972 CB ASP A 113 1.383 -3.922 9.390 1.00 0.00 C ATOM 973 CG ASP A 113 1.820 -5.327 9.784 1.00 0.00 C ATOM 974 OD1 ASP A 113 2.942 -5.463 10.337 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.058 -6.279 9.470 1.00 0.00 O ATOM 0 H ASP A 113 1.220 -1.695 7.780 1.00 0.00 H new ATOM 0 HA ASP A 113 3.239 -3.744 8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.534 -3.232 10.220 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.319 -3.908 9.153 1.00 0.00 H new ATOM 980 N TRP A 114 2.141 -5.428 6.738 1.00 0.00 N ATOM 981 CA TRP A 114 1.720 -6.165 5.596 1.00 0.00 C ATOM 982 C TRP A 114 0.379 -6.778 5.892 1.00 0.00 C ATOM 983 O TRP A 114 -0.205 -7.455 5.054 1.00 0.00 O ATOM 984 CB TRP A 114 2.762 -7.243 5.233 1.00 0.00 C ATOM 985 CG TRP A 114 3.653 -6.853 4.075 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.956 -7.145 3.798 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.140 -6.187 2.925 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.282 -6.677 2.540 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.161 -6.100 1.977 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.855 -5.878 2.669 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.839 -5.590 0.730 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.548 -5.369 1.432 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.506 -5.308 0.444 1.00 0.00 C ATOM 0 H TRP A 114 2.781 -5.926 7.356 1.00 0.00 H new ATOM 0 HA TRP A 114 1.630 -5.502 4.735 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.382 -7.447 6.106 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.244 -8.170 4.987 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.631 -7.664 4.462 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.199 -6.746 2.100 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.088 -6.026 3.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.608 -5.414 -0.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.548 -5.014 1.232 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.220 -5.039 -0.562 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.214 -6.424 7.045 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.570 -6.796 7.314 1.00 0.00 C ATOM 1006 C ASN A 115 -2.308 -5.535 7.620 1.00 0.00 C ATOM 1007 O ASN A 115 -3.349 -5.556 8.276 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.653 -7.654 8.583 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.667 -8.762 8.353 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.307 -9.909 8.087 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.967 -8.413 8.473 1.00 0.00 N ATOM 0 H ASN A 115 0.238 -5.886 7.785 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.972 -7.346 6.463 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.677 -8.078 8.818 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.948 -7.042 9.435 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.697 -9.113 8.342 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.218 -7.450 8.695 1.00 0.00 H new ATOM 1018 N THR A 116 -1.780 -4.385 7.149 1.00 0.00 N ATOM 1019 CA THR A 116 -2.213 -3.130 7.681 1.00 0.00 C ATOM 1020 C THR A 116 -3.608 -2.846 7.178 1.00 0.00 C ATOM 1021 O THR A 116 -4.021 -3.296 6.108 1.00 0.00 O ATOM 1022 CB THR A 116 -1.197 -1.966 7.644 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.610 -1.793 8.926 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.794 -0.568 7.451 1.00 0.00 C ATOM 0 H THR A 116 -1.071 -4.326 6.418 1.00 0.00 H new ATOM 0 HA THR A 116 -2.267 -3.225 8.766 1.00 0.00 H new ATOM 0 HB THR A 116 -0.545 -2.255 6.820 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.369 -0.851 9.051 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.993 0.171 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.335 -0.531 6.505 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.479 -0.349 8.270 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.411 -2.174 8.021 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.748 -1.813 7.661 1.00 0.00 C ATOM 1034 C ASP A 117 -5.656 -0.660 6.718 1.00 0.00 C ATOM 1035 O ASP A 117 -5.661 0.484 7.153 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.530 -1.359 8.900 1.00 0.00 C ATOM 1037 CG ASP A 117 -6.385 -2.428 9.974 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -5.276 -2.514 10.570 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -7.373 -3.174 10.202 1.00 0.00 O ATOM 0 H ASP A 117 -4.133 -1.879 8.957 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.257 -2.667 7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.149 -0.404 9.261 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.581 -1.210 8.652 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.707 -0.974 5.405 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.619 0.020 4.361 1.00 0.00 C ATOM 1046 C ALA A 118 -6.797 0.939 4.489 1.00 0.00 C ATOM 1047 O ALA A 118 -6.744 2.085 4.055 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.798 -0.796 3.060 1.00 0.00 C ATOM 0 H ALA A 118 -5.811 -1.928 5.060 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.696 0.599 4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.747 -0.127 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -5.007 -1.542 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.767 -1.295 3.074 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.830 0.483 5.222 1.00 0.00 N ATOM 1055 CA ALA A 119 -9.034 1.245 5.394 1.00 0.00 C ATOM 1056 C ALA A 119 -8.774 2.328 6.402 1.00 0.00 C ATOM 1057 O ALA A 119 -9.611 3.200 6.620 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.834 0.123 6.084 1.00 0.00 C ATOM 0 H ALA A 119 -7.833 -0.419 5.699 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.468 1.719 4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.834 0.484 6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.908 -0.735 5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.326 -0.174 7.002 1.00 0.00 H new ATOM 1064 N SER A 120 -7.578 2.321 7.027 1.00 0.00 N ATOM 1065 CA SER A 120 -7.237 3.356 7.962 1.00 0.00 C ATOM 1066 C SER A 120 -6.337 4.324 7.249 1.00 0.00 C ATOM 1067 O SER A 120 -6.127 5.444 7.706 1.00 0.00 O ATOM 1068 CB SER A 120 -6.493 2.833 9.198 1.00 0.00 C ATOM 1069 OG SER A 120 -7.282 1.859 9.869 1.00 0.00 O ATOM 0 H SER A 120 -6.858 1.612 6.889 1.00 0.00 H new ATOM 0 HA SER A 120 -8.163 3.812 8.312 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.539 2.397 8.900 1.00 0.00 H new ATOM 0 HB3 SER A 120 -6.269 3.659 9.873 1.00 0.00 H new ATOM 0 HG SER A 120 -6.798 1.531 10.655 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.772 3.886 6.106 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.910 4.730 5.325 1.00 0.00 C ATOM 1077 C LEU A 121 -5.708 5.167 4.158 1.00 0.00 C ATOM 1078 O LEU A 121 -5.175 5.663 3.168 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.699 3.963 4.781 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.928 3.208 5.863 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -3.010 3.883 7.239 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.458 1.795 6.076 1.00 0.00 C ATOM 0 H LEU A 121 -5.910 2.951 5.722 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.549 5.550 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.036 3.255 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.026 4.663 4.286 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.903 3.200 5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.443 3.300 7.965 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.594 4.888 7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.052 3.941 7.554 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.876 1.302 6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.504 1.841 6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.373 1.231 5.147 1.00 0.00 H new ATOM 1094 N ILE A 122 -7.023 4.944 4.270 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.919 5.154 3.171 1.00 0.00 C ATOM 1096 C ILE A 122 -7.991 6.622 2.911 1.00 0.00 C ATOM 1097 O ILE A 122 -8.136 7.437 3.822 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.304 4.543 3.427 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.892 3.772 2.240 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.395 5.526 3.886 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.076 2.553 1.801 1.00 0.00 C ATOM 0 H ILE A 122 -7.474 4.616 5.124 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.540 4.642 2.286 1.00 0.00 H new ATOM 0 HB ILE A 122 -9.062 3.864 4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.898 3.444 2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.987 4.452 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.330 4.987 4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -10.092 5.995 4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.537 6.293 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.568 2.071 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.076 2.872 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.002 1.848 2.629 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.810 6.970 1.630 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.886 8.340 1.203 1.00 0.00 C ATOM 1115 C GLY A 123 -6.507 8.924 1.286 1.00 0.00 C ATOM 1116 O GLY A 123 -6.347 10.125 1.482 1.00 0.00 O ATOM 0 H GLY A 123 -7.610 6.306 0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.266 8.402 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.576 8.899 1.835 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.469 8.083 1.098 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.122 8.562 1.187 1.00 0.00 C ATOM 1122 C GLU A 124 -3.393 8.045 -0.014 1.00 0.00 C ATOM 1123 O GLU A 124 -3.987 7.458 -0.921 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.386 8.054 2.435 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.159 8.280 3.741 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.622 9.538 4.413 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.354 10.540 3.694 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.376 9.485 5.649 1.00 0.00 O ATOM 0 H GLU A 124 -5.560 7.089 0.888 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.150 9.650 1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.187 6.988 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.419 8.553 2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.224 8.386 3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.045 7.420 4.401 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.057 8.202 -0.011 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.251 7.674 -1.072 1.00 0.00 C ATOM 1137 C GLU A 125 -0.243 6.775 -0.449 1.00 0.00 C ATOM 1138 O GLU A 125 0.443 7.156 0.501 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.524 8.738 -1.903 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.443 9.426 -2.916 1.00 0.00 C ATOM 1141 CD GLU A 125 -1.244 10.937 -2.830 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.303 11.391 -2.122 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -2.081 11.666 -3.431 1.00 0.00 O ATOM 0 H GLU A 125 -1.537 8.690 0.718 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.914 7.159 -1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.100 9.488 -1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.309 8.274 -2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.221 9.075 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.483 9.172 -2.712 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.143 5.546 -0.987 1.00 0.00 N ATOM 1151 CA LEU A 126 0.743 4.573 -0.419 1.00 0.00 C ATOM 1152 C LEU A 126 1.915 4.432 -1.337 1.00 0.00 C ATOM 1153 O LEU A 126 1.866 4.821 -2.502 1.00 0.00 O ATOM 1154 CB LEU A 126 0.141 3.167 -0.248 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.959 3.075 0.818 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -0.960 1.729 1.552 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.863 4.154 1.900 1.00 0.00 C ATOM 0 H LEU A 126 -0.666 5.227 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 126 0.993 4.938 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.268 2.841 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.940 2.472 0.010 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.874 3.208 0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.758 1.720 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.122 0.924 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.001 1.585 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.674 4.024 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.094 4.069 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.941 5.139 1.440 1.00 0.00 H new ATOM 1169 N GLN A 127 2.993 3.808 -0.829 1.00 0.00 N ATOM 1170 CA GLN A 127 4.104 3.463 -1.668 1.00 0.00 C ATOM 1171 C GLN A 127 4.547 2.099 -1.261 1.00 0.00 C ATOM 1172 O GLN A 127 4.319 1.675 -0.130 1.00 0.00 O ATOM 1173 CB GLN A 127 5.321 4.395 -1.536 1.00 0.00 C ATOM 1174 CG GLN A 127 6.129 4.546 -2.837 1.00 0.00 C ATOM 1175 CD GLN A 127 7.609 4.661 -2.488 1.00 0.00 C ATOM 1176 OE1 GLN A 127 8.124 5.755 -2.251 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.343 3.519 -2.530 1.00 0.00 N ATOM 0 H GLN A 127 3.098 3.544 0.151 1.00 0.00 H new ATOM 0 HA GLN A 127 3.761 3.538 -2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.981 5.379 -1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.977 4.013 -0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.961 3.688 -3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.801 5.430 -3.384 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.889 2.628 -2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.349 3.553 -2.363 1.00 0.00 H new ATOM 1186 N VAL A 128 5.206 1.384 -2.187 1.00 0.00 N ATOM 1187 CA VAL A 128 5.823 0.140 -1.844 1.00 0.00 C ATOM 1188 C VAL A 128 7.281 0.295 -2.126 1.00 0.00 C ATOM 1189 O VAL A 128 7.672 0.968 -3.078 1.00 0.00 O ATOM 1190 CB VAL A 128 5.260 -1.063 -2.615 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.122 -2.325 -2.512 1.00 0.00 C ATOM 1192 CG2 VAL A 128 3.884 -1.512 -2.114 1.00 0.00 C ATOM 0 H VAL A 128 5.312 1.661 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 128 5.622 -0.075 -0.794 1.00 0.00 H new ATOM 0 HB VAL A 128 5.225 -0.683 -3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.658 -3.130 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.115 -2.121 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.207 -2.623 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.544 -2.365 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 128 3.954 -1.798 -1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.173 -0.692 -2.220 1.00 0.00 H new ATOM 1202 N ASP A 129 8.119 -0.296 -1.257 1.00 0.00 N ATOM 1203 CA ASP A 129 9.538 -0.170 -1.394 1.00 0.00 C ATOM 1204 C ASP A 129 10.113 -1.535 -1.187 1.00 0.00 C ATOM 1205 O ASP A 129 9.386 -2.510 -1.026 1.00 0.00 O ATOM 1206 CB ASP A 129 10.131 0.775 -0.331 1.00 0.00 C ATOM 1207 CG ASP A 129 11.162 1.665 -1.008 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.201 1.113 -1.457 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.903 2.895 -1.104 1.00 0.00 O ATOM 0 H ASP A 129 7.817 -0.859 -0.462 1.00 0.00 H new ATOM 0 HA ASP A 129 9.774 0.242 -2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.345 1.380 0.121 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.593 0.201 0.472 1.00 0.00 H new ATOM 1214 N PHE A 130 11.455 -1.624 -1.133 1.00 0.00 N ATOM 1215 CA PHE A 130 12.090 -2.898 -0.963 1.00 0.00 C ATOM 1216 C PHE A 130 12.159 -3.172 0.510 1.00 0.00 C ATOM 1217 O PHE A 130 12.034 -2.266 1.335 1.00 0.00 O ATOM 1218 CB PHE A 130 13.518 -2.914 -1.526 1.00 0.00 C ATOM 1219 CG PHE A 130 13.432 -2.631 -2.989 1.00 0.00 C ATOM 1220 CD1 PHE A 130 13.178 -3.642 -3.904 1.00 0.00 C ATOM 1221 CD2 PHE A 130 13.597 -1.327 -3.477 1.00 0.00 C ATOM 1222 CE1 PHE A 130 13.058 -3.365 -5.255 1.00 0.00 C ATOM 1223 CE2 PHE A 130 13.475 -1.053 -4.827 1.00 0.00 C ATOM 1224 CZ PHE A 130 13.203 -2.073 -5.718 1.00 0.00 C ATOM 0 H PHE A 130 12.092 -0.831 -1.205 1.00 0.00 H new ATOM 0 HA PHE A 130 11.513 -3.651 -1.500 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.134 -2.166 -1.027 1.00 0.00 H new ATOM 0 HB3 PHE A 130 13.987 -3.882 -1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 130 13.072 -4.659 -3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 130 13.822 -0.525 -2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 130 12.850 -4.164 -5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 130 13.592 -0.041 -5.185 1.00 0.00 H new ATOM 0 HZ PHE A 130 13.104 -1.860 -6.772 1.00 0.00 H new ATOM 1234 N LEU A 131 12.377 -4.454 0.872 1.00 0.00 N ATOM 1235 CA LEU A 131 12.451 -4.833 2.247 1.00 0.00 C ATOM 1236 C LEU A 131 13.693 -4.253 2.812 1.00 0.00 C ATOM 1237 O LEU A 131 14.801 -4.501 2.342 1.00 0.00 O ATOM 1238 CB LEU A 131 12.483 -6.340 2.474 1.00 0.00 C ATOM 1239 CG LEU A 131 11.092 -6.973 2.557 1.00 0.00 C ATOM 1240 CD1 LEU A 131 11.118 -8.477 2.297 1.00 0.00 C ATOM 1241 CD2 LEU A 131 10.365 -6.669 3.871 1.00 0.00 C ATOM 0 H LEU A 131 12.501 -5.222 0.212 1.00 0.00 H new ATOM 0 HA LEU A 131 11.548 -4.461 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 131 13.040 -6.810 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 131 13.025 -6.549 3.396 1.00 0.00 H new ATOM 0 HG LEU A 131 10.522 -6.501 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 131 10.106 -8.876 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 131 11.514 -8.667 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 131 11.753 -8.963 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 131 9.386 -7.147 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 131 10.950 -7.052 4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 131 10.242 -5.591 3.978 1.00 0.00 H new ATOM 1253 N ASP A 132 13.492 -3.491 3.886 1.00 0.00 N ATOM 1254 CA ASP A 132 14.538 -2.699 4.465 1.00 0.00 C ATOM 1255 C ASP A 132 15.465 -3.648 5.256 1.00 0.00 C ATOM 1256 O ASP A 132 14.938 -4.503 6.016 1.00 0.00 O ATOM 1257 CB ASP A 132 14.018 -1.600 5.412 1.00 0.00 C ATOM 1258 CG ASP A 132 12.862 -2.168 6.232 1.00 0.00 C ATOM 1259 OD1 ASP A 132 11.767 -2.401 5.648 1.00 0.00 O ATOM 1260 OD2 ASP A 132 13.003 -2.267 7.480 1.00 0.00 O ATOM 1261 OXT ASP A 132 16.709 -3.469 5.161 1.00 0.00 O ATOM 0 H ASP A 132 12.596 -3.416 4.367 1.00 0.00 H new ATOM 0 HA ASP A 132 15.061 -2.191 3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 132 14.817 -1.259 6.071 1.00 0.00 H new ATOM 0 HB3 ASP A 132 13.686 -0.734 4.840 1.00 0.00 H new TER 1266 ASP A 132