USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 508 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 200 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 200 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 300 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 300 CACA :(metal ligand) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 51 MET CE :methyl 178:sc= -0.954 (180deg=-0.986) USER MOD Single : A 53 ASN : amide:sc= -1.37! K(o=-1.4!,f=-0.036) USER MOD Single : A 62 THR OG1 : rot 131:sc= -1.46 USER MOD Single : A 70 THR OG1 : rot 86:sc= 0.658 USER MOD Single : A 71 MET CE :methyl -166:sc= -0.0379 (180deg=-0.14) USER MOD Single : A 72 MET CE :methyl -165:sc= -0.256 (180deg=-0.662) USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 1.33 (180deg=1.32) USER MOD Single : A 76 MET CE :methyl -170:sc= 0 (180deg=-0.0497) USER MOD Single : A 77 LYS NZ :NH3+ 174:sc= 0.0481 (180deg=0.00636) USER MOD Single : A 79 THR OG1 : rot -145:sc= 1.3 USER MOD Single : A 81 SER OG : rot 180:sc= -0.335 USER MOD Single : A 94 LYS NZ :NH3+ 135:sc= 1.24 (180deg=0.679) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 114:sc= 0.562 USER MOD Single : A 107 HIS : no HD1:sc= -1.87! C(o=-1.9!,f=-2.3!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -98:sc= 1.43 USER MOD Single : A 111 ASN : amide:sc= -2.74! C(o=-2.7!,f=-1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 46 17.164 1.039 -9.382 1.00 0.00 N ATOM 2 CA ALA A 46 15.932 1.210 -8.585 1.00 0.00 C ATOM 3 C ALA A 46 16.057 0.480 -7.256 1.00 0.00 C ATOM 4 O ALA A 46 16.433 -0.693 -7.211 1.00 0.00 O ATOM 5 CB ALA A 46 14.724 0.708 -9.360 1.00 0.00 C ATOM 0 HA ALA A 46 15.792 2.272 -8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.825 0.841 -8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.627 1.272 -10.288 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.853 -0.350 -9.590 1.00 0.00 H new ATOM 13 N GLU A 47 15.757 1.183 -6.177 1.00 0.00 N ATOM 14 CA GLU A 47 15.862 0.623 -4.840 1.00 0.00 C ATOM 15 C GLU A 47 14.604 0.942 -4.033 1.00 0.00 C ATOM 16 O GLU A 47 13.885 1.901 -4.326 1.00 0.00 O ATOM 17 CB GLU A 47 17.126 1.149 -4.159 1.00 0.00 C ATOM 18 CG GLU A 47 18.401 0.556 -4.742 1.00 0.00 C ATOM 19 CD GLU A 47 19.648 1.332 -4.379 1.00 0.00 C ATOM 20 OE1 GLU A 47 20.188 1.126 -3.274 1.00 0.00 O ATOM 21 OE2 GLU A 47 20.112 2.134 -5.219 1.00 0.00 O ATOM 0 H GLU A 47 15.436 2.151 -6.202 1.00 0.00 H new ATOM 0 HA GLU A 47 15.942 -0.462 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.159 2.234 -4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.080 0.923 -3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.507 -0.471 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.311 0.516 -5.828 1.00 0.00 H new ATOM 28 N LEU A 48 14.340 0.112 -3.028 1.00 0.00 N ATOM 29 CA LEU A 48 13.029 0.072 -2.376 1.00 0.00 C ATOM 30 C LEU A 48 12.775 1.251 -1.446 1.00 0.00 C ATOM 31 O LEU A 48 11.630 1.689 -1.320 1.00 0.00 O ATOM 32 CB LEU A 48 12.832 -1.245 -1.613 1.00 0.00 C ATOM 33 CG LEU A 48 12.253 -2.397 -2.437 1.00 0.00 C ATOM 34 CD1 LEU A 48 10.902 -2.001 -3.008 1.00 0.00 C ATOM 35 CD2 LEU A 48 13.206 -2.809 -3.549 1.00 0.00 C ATOM 0 H LEU A 48 15.018 -0.546 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 48 12.299 0.141 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.794 -1.558 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.173 -1.059 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 48 12.119 -3.256 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.498 -2.827 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.218 -1.764 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.020 -1.127 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.768 -3.629 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.381 -1.961 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.153 -3.132 -3.116 1.00 0.00 H new ATOM 47 N GLN A 49 13.815 1.769 -0.808 1.00 0.00 N ATOM 48 CA GLN A 49 13.637 2.848 0.158 1.00 0.00 C ATOM 49 C GLN A 49 13.221 4.133 -0.549 1.00 0.00 C ATOM 50 O GLN A 49 12.467 4.937 -0.002 1.00 0.00 O ATOM 51 CB GLN A 49 14.916 3.074 0.968 1.00 0.00 C ATOM 52 CG GLN A 49 14.780 4.150 2.032 1.00 0.00 C ATOM 53 CD GLN A 49 16.061 4.371 2.806 1.00 0.00 C ATOM 54 OE1 GLN A 49 17.159 4.174 2.287 1.00 0.00 O ATOM 55 NE2 GLN A 49 15.930 4.786 4.053 1.00 0.00 N ATOM 0 H GLN A 49 14.780 1.466 -0.938 1.00 0.00 H new ATOM 0 HA GLN A 49 12.845 2.558 0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.204 2.137 1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.723 3.347 0.288 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.479 5.086 1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.985 3.872 2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.001 4.937 4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.758 4.955 4.624 1.00 0.00 H new ATOM 64 N ASP A 50 13.694 4.304 -1.777 1.00 0.00 N ATOM 65 CA ASP A 50 13.331 5.462 -2.586 1.00 0.00 C ATOM 66 C ASP A 50 11.827 5.496 -2.813 1.00 0.00 C ATOM 67 O ASP A 50 11.166 6.506 -2.555 1.00 0.00 O ATOM 68 CB ASP A 50 14.053 5.431 -3.936 1.00 0.00 C ATOM 69 CG ASP A 50 15.530 5.727 -3.812 1.00 0.00 C ATOM 70 OD1 ASP A 50 16.295 4.805 -3.461 1.00 0.00 O ATOM 71 OD2 ASP A 50 15.936 6.878 -4.064 1.00 0.00 O ATOM 0 H ASP A 50 14.332 3.654 -2.236 1.00 0.00 H new ATOM 0 HA ASP A 50 13.635 6.359 -2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.920 4.450 -4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.595 6.159 -4.606 1.00 0.00 H new ATOM 76 N MET A 51 11.290 4.368 -3.269 1.00 0.00 N ATOM 77 CA MET A 51 9.863 4.249 -3.520 1.00 0.00 C ATOM 78 C MET A 51 9.085 4.394 -2.216 1.00 0.00 C ATOM 79 O MET A 51 7.970 4.905 -2.210 1.00 0.00 O ATOM 80 CB MET A 51 9.549 2.911 -4.202 1.00 0.00 C ATOM 81 CG MET A 51 8.075 2.719 -4.535 1.00 0.00 C ATOM 82 SD MET A 51 7.386 4.088 -5.483 1.00 0.00 S ATOM 83 CE MET A 51 8.451 4.092 -6.924 1.00 0.00 C ATOM 0 H MET A 51 11.825 3.524 -3.472 1.00 0.00 H new ATOM 0 HA MET A 51 9.555 5.050 -4.192 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.132 2.837 -5.120 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.874 2.098 -3.552 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.953 1.795 -5.100 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.511 2.604 -3.610 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.122 4.865 -7.618 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.477 4.293 -6.617 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.403 3.120 -7.415 1.00 0.00 H new ATOM 93 N ILE A 52 9.688 3.967 -1.106 1.00 0.00 N ATOM 94 CA ILE A 52 9.074 4.157 0.204 1.00 0.00 C ATOM 95 C ILE A 52 8.891 5.648 0.471 1.00 0.00 C ATOM 96 O ILE A 52 7.822 6.091 0.884 1.00 0.00 O ATOM 97 CB ILE A 52 9.922 3.554 1.354 1.00 0.00 C ATOM 98 CG1 ILE A 52 9.997 2.030 1.241 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.350 3.956 2.709 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.790 1.370 2.347 1.00 0.00 C ATOM 0 H ILE A 52 10.591 3.493 -1.089 1.00 0.00 H new ATOM 0 HA ILE A 52 8.115 3.639 0.183 1.00 0.00 H new ATOM 0 HB ILE A 52 10.933 3.952 1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.985 1.625 1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.444 1.768 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.958 3.524 3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.355 5.042 2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.327 3.590 2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.796 0.291 2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.814 1.744 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.332 1.599 3.309 1.00 0.00 H new ATOM 112 N ASN A 53 9.935 6.411 0.158 1.00 0.00 N ATOM 113 CA ASN A 53 9.989 7.836 0.480 1.00 0.00 C ATOM 114 C ASN A 53 9.042 8.641 -0.397 1.00 0.00 C ATOM 115 O ASN A 53 8.624 9.740 -0.029 1.00 0.00 O ATOM 116 CB ASN A 53 11.414 8.381 0.344 1.00 0.00 C ATOM 117 CG ASN A 53 12.370 7.822 1.384 1.00 0.00 C ATOM 118 OD1 ASN A 53 13.574 7.717 1.141 1.00 0.00 O ATOM 119 ND2 ASN A 53 11.849 7.458 2.547 1.00 0.00 N ATOM 0 H ASN A 53 10.764 6.062 -0.323 1.00 0.00 H new ATOM 0 HA ASN A 53 9.672 7.941 1.517 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.792 8.147 -0.651 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.390 9.467 0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.450 7.076 3.278 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.848 7.560 2.711 1.00 0.00 H new ATOM 126 N GLU A 54 8.699 8.104 -1.561 1.00 0.00 N ATOM 127 CA GLU A 54 7.737 8.766 -2.433 1.00 0.00 C ATOM 128 C GLU A 54 6.306 8.500 -1.972 1.00 0.00 C ATOM 129 O GLU A 54 5.373 9.176 -2.406 1.00 0.00 O ATOM 130 CB GLU A 54 7.888 8.310 -3.889 1.00 0.00 C ATOM 131 CG GLU A 54 9.233 8.644 -4.511 1.00 0.00 C ATOM 132 CD GLU A 54 9.199 8.585 -6.028 1.00 0.00 C ATOM 133 OE1 GLU A 54 9.283 7.465 -6.580 1.00 0.00 O ATOM 134 OE2 GLU A 54 9.096 9.650 -6.674 1.00 0.00 O ATOM 0 H GLU A 54 9.067 7.223 -1.920 1.00 0.00 H new ATOM 0 HA GLU A 54 7.943 9.835 -2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.736 7.232 -3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.100 8.770 -4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.539 9.642 -4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.985 7.948 -4.140 1.00 0.00 H new ATOM 141 N VAL A 55 6.130 7.513 -1.103 1.00 0.00 N ATOM 142 CA VAL A 55 4.792 7.076 -0.730 1.00 0.00 C ATOM 143 C VAL A 55 4.444 7.405 0.728 1.00 0.00 C ATOM 144 O VAL A 55 3.285 7.686 1.040 1.00 0.00 O ATOM 145 CB VAL A 55 4.643 5.554 -0.962 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.276 5.060 -0.526 1.00 0.00 C ATOM 147 CG2 VAL A 55 4.884 5.211 -2.423 1.00 0.00 C ATOM 0 H VAL A 55 6.888 7.005 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 55 4.096 7.624 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 55 5.394 5.051 -0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.204 3.987 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.137 5.263 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.504 5.574 -1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.775 4.136 -2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.158 5.736 -3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.892 5.515 -2.707 1.00 0.00 H new ATOM 157 N ASP A 56 5.432 7.375 1.619 1.00 0.00 N ATOM 158 CA ASP A 56 5.171 7.666 3.031 1.00 0.00 C ATOM 159 C ASP A 56 4.883 9.155 3.268 1.00 0.00 C ATOM 160 O ASP A 56 5.764 9.960 3.562 1.00 0.00 O ATOM 161 CB ASP A 56 6.298 7.137 3.938 1.00 0.00 C ATOM 162 CG ASP A 56 7.598 7.916 3.868 1.00 0.00 C ATOM 163 OD1 ASP A 56 8.067 8.173 2.737 1.00 0.00 O ATOM 164 OD2 ASP A 56 8.145 8.288 4.920 1.00 0.00 O ATOM 0 H ASP A 56 6.403 7.157 1.397 1.00 0.00 H new ATOM 0 HA ASP A 56 4.264 7.129 3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.945 7.140 4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.500 6.099 3.673 1.00 0.00 H new ATOM 169 N ALA A 57 3.615 9.497 3.115 1.00 0.00 N ATOM 170 CA ALA A 57 3.126 10.864 3.313 1.00 0.00 C ATOM 171 C ALA A 57 3.162 11.291 4.782 1.00 0.00 C ATOM 172 O ALA A 57 3.343 12.470 5.081 1.00 0.00 O ATOM 173 CB ALA A 57 1.716 11.001 2.762 1.00 0.00 C ATOM 0 H ALA A 57 2.886 8.835 2.848 1.00 0.00 H new ATOM 0 HA ALA A 57 3.798 11.528 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.363 12.021 2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.718 10.774 1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.054 10.307 3.280 1.00 0.00 H new ATOM 179 N ASP A 58 2.998 10.342 5.698 1.00 0.00 N ATOM 180 CA ASP A 58 3.089 10.667 7.126 1.00 0.00 C ATOM 181 C ASP A 58 4.549 10.745 7.509 1.00 0.00 C ATOM 182 O ASP A 58 4.912 11.294 8.546 1.00 0.00 O ATOM 183 CB ASP A 58 2.448 9.610 8.038 1.00 0.00 C ATOM 184 CG ASP A 58 1.126 9.069 7.559 1.00 0.00 C ATOM 185 OD1 ASP A 58 0.107 9.779 7.649 1.00 0.00 O ATOM 186 OD2 ASP A 58 1.102 7.897 7.118 1.00 0.00 O ATOM 0 H ASP A 58 2.806 9.362 5.490 1.00 0.00 H new ATOM 0 HA ASP A 58 2.556 11.607 7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.144 8.779 8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.308 10.044 9.028 1.00 0.00 H new ATOM 191 N GLY A 59 5.377 10.180 6.644 1.00 0.00 N ATOM 192 CA GLY A 59 6.771 9.980 6.959 1.00 0.00 C ATOM 193 C GLY A 59 6.947 8.813 7.903 1.00 0.00 C ATOM 194 O GLY A 59 7.985 8.663 8.541 1.00 0.00 O ATOM 0 H GLY A 59 5.101 9.853 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.333 9.800 6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.179 10.884 7.411 1.00 0.00 H new ATOM 198 N ASN A 60 5.911 7.986 7.999 1.00 0.00 N ATOM 199 CA ASN A 60 5.939 6.825 8.874 1.00 0.00 C ATOM 200 C ASN A 60 6.520 5.604 8.166 1.00 0.00 C ATOM 201 O ASN A 60 6.598 4.519 8.743 1.00 0.00 O ATOM 202 CB ASN A 60 4.534 6.527 9.432 1.00 0.00 C ATOM 203 CG ASN A 60 3.466 6.238 8.380 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.554 6.655 7.218 1.00 0.00 O ATOM 205 ND2 ASN A 60 2.419 5.546 8.799 1.00 0.00 N ATOM 0 H ASN A 60 5.041 8.101 7.479 1.00 0.00 H new ATOM 0 HA ASN A 60 6.595 7.057 9.713 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.601 5.671 10.104 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.210 7.378 10.031 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.653 5.342 8.157 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.378 5.217 9.764 1.00 0.00 H new ATOM 212 N GLY A 61 6.912 5.779 6.908 1.00 0.00 N ATOM 213 CA GLY A 61 7.613 4.726 6.192 1.00 0.00 C ATOM 214 C GLY A 61 6.676 3.667 5.651 1.00 0.00 C ATOM 215 O GLY A 61 7.109 2.584 5.247 1.00 0.00 O ATOM 0 H GLY A 61 6.757 6.632 6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.175 5.164 5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.338 4.259 6.859 1.00 0.00 H new ATOM 219 N THR A 62 5.389 3.971 5.651 1.00 0.00 N ATOM 220 CA THR A 62 4.391 3.035 5.167 1.00 0.00 C ATOM 221 C THR A 62 3.126 3.779 4.771 1.00 0.00 C ATOM 222 O THR A 62 2.791 4.827 5.355 1.00 0.00 O ATOM 223 CB THR A 62 4.053 1.972 6.244 1.00 0.00 C ATOM 224 OG1 THR A 62 3.169 0.978 5.709 1.00 0.00 O ATOM 225 CG2 THR A 62 3.414 2.618 7.465 1.00 0.00 C ATOM 0 H THR A 62 5.012 4.859 5.981 1.00 0.00 H new ATOM 0 HA THR A 62 4.803 2.526 4.296 1.00 0.00 H new ATOM 0 HB THR A 62 4.986 1.497 6.547 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.516 0.085 5.918 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.187 1.851 8.205 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.104 3.344 7.895 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.494 3.122 7.170 1.00 0.00 H new ATOM 233 N ILE A 63 2.440 3.261 3.767 1.00 0.00 N ATOM 234 CA ILE A 63 1.147 3.791 3.410 1.00 0.00 C ATOM 235 C ILE A 63 0.128 3.262 4.407 1.00 0.00 C ATOM 236 O ILE A 63 0.211 2.112 4.850 1.00 0.00 O ATOM 237 CB ILE A 63 0.735 3.456 1.950 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.297 4.735 1.231 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.382 2.418 1.902 1.00 0.00 C ATOM 240 CD1 ILE A 63 -0.112 4.523 -0.213 1.00 0.00 C ATOM 0 H ILE A 63 2.758 2.481 3.192 1.00 0.00 H new ATOM 0 HA ILE A 63 1.192 4.879 3.453 1.00 0.00 H new ATOM 0 HB ILE A 63 1.602 3.030 1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.539 5.176 1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.114 5.456 1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.642 2.211 0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.046 1.499 2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.258 2.801 2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.408 5.476 -0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.728 4.112 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.951 3.828 -0.255 1.00 0.00 H new ATOM 252 N ASP A 64 -0.796 4.114 4.784 1.00 0.00 N ATOM 253 CA ASP A 64 -1.801 3.774 5.763 1.00 0.00 C ATOM 254 C ASP A 64 -3.131 3.758 5.047 1.00 0.00 C ATOM 255 O ASP A 64 -3.185 4.132 3.874 1.00 0.00 O ATOM 256 CB ASP A 64 -1.820 4.799 6.905 1.00 0.00 C ATOM 257 CG ASP A 64 -0.505 4.876 7.660 1.00 0.00 C ATOM 258 OD1 ASP A 64 0.507 5.284 7.060 1.00 0.00 O ATOM 259 OD2 ASP A 64 -0.470 4.497 8.859 1.00 0.00 O ATOM 0 H ASP A 64 -0.872 5.064 4.420 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.587 2.802 6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.056 5.782 6.498 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.618 4.542 7.602 1.00 0.00 H new ATOM 264 N PHE A 65 -4.191 3.340 5.715 1.00 0.00 N ATOM 265 CA PHE A 65 -5.520 3.400 5.115 1.00 0.00 C ATOM 266 C PHE A 65 -5.833 4.810 4.594 1.00 0.00 C ATOM 267 O PHE A 65 -6.256 4.953 3.444 1.00 0.00 O ATOM 268 CB PHE A 65 -6.593 2.909 6.093 1.00 0.00 C ATOM 269 CG PHE A 65 -6.583 1.416 6.273 1.00 0.00 C ATOM 270 CD1 PHE A 65 -5.773 0.817 7.225 1.00 0.00 C ATOM 271 CD2 PHE A 65 -7.378 0.611 5.473 1.00 0.00 C ATOM 272 CE1 PHE A 65 -5.764 -0.557 7.380 1.00 0.00 C ATOM 273 CE2 PHE A 65 -7.371 -0.762 5.621 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.561 -1.347 6.576 1.00 0.00 C ATOM 0 H PHE A 65 -4.164 2.959 6.661 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.528 2.727 4.257 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.441 3.387 7.061 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.574 3.220 5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.142 1.430 7.852 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.011 1.063 4.724 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.134 -1.012 8.130 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.997 -1.377 4.992 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.552 -2.421 6.693 1.00 0.00 H new ATOM 284 N PRO A 66 -5.608 5.874 5.405 1.00 0.00 N ATOM 285 CA PRO A 66 -5.763 7.254 4.936 1.00 0.00 C ATOM 286 C PRO A 66 -4.941 7.550 3.681 1.00 0.00 C ATOM 287 O PRO A 66 -5.485 8.009 2.675 1.00 0.00 O ATOM 288 CB PRO A 66 -5.260 8.100 6.107 1.00 0.00 C ATOM 289 CG PRO A 66 -5.432 7.240 7.305 1.00 0.00 C ATOM 290 CD PRO A 66 -5.238 5.827 6.837 1.00 0.00 C ATOM 0 HA PRO A 66 -6.796 7.461 4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.216 8.382 5.970 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.830 9.024 6.200 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.707 7.498 8.077 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.422 7.373 7.741 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.208 5.499 6.973 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.870 5.132 7.391 1.00 0.00 H new ATOM 298 N GLU A 67 -3.630 7.277 3.732 1.00 0.00 N ATOM 299 CA GLU A 67 -2.756 7.567 2.595 1.00 0.00 C ATOM 300 C GLU A 67 -3.180 6.816 1.341 1.00 0.00 C ATOM 301 O GLU A 67 -3.366 7.423 0.294 1.00 0.00 O ATOM 302 CB GLU A 67 -1.317 7.198 2.909 1.00 0.00 C ATOM 303 CG GLU A 67 -0.605 8.155 3.840 1.00 0.00 C ATOM 304 CD GLU A 67 0.668 7.544 4.358 1.00 0.00 C ATOM 305 OE1 GLU A 67 0.656 6.351 4.666 1.00 0.00 O ATOM 306 OE2 GLU A 67 1.677 8.234 4.530 1.00 0.00 O ATOM 0 H GLU A 67 -3.160 6.862 4.537 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.838 8.638 2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.300 6.202 3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.759 7.140 1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.381 9.083 3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.257 8.411 4.675 1.00 0.00 H new ATOM 313 N PHE A 68 -3.339 5.499 1.460 1.00 0.00 N ATOM 314 CA PHE A 68 -3.582 4.644 0.300 1.00 0.00 C ATOM 315 C PHE A 68 -4.851 5.073 -0.421 1.00 0.00 C ATOM 316 O PHE A 68 -4.859 5.232 -1.638 1.00 0.00 O ATOM 317 CB PHE A 68 -3.683 3.179 0.738 1.00 0.00 C ATOM 318 CG PHE A 68 -3.645 2.181 -0.392 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.438 1.816 -0.974 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.811 1.602 -0.869 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.396 0.895 -2.005 1.00 0.00 C ATOM 322 CE2 PHE A 68 -4.773 0.679 -1.898 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.566 0.328 -2.468 1.00 0.00 C ATOM 0 H PHE A 68 -3.304 5.001 2.349 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.745 4.745 -0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.865 2.962 1.425 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.611 3.043 1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.519 2.257 -0.617 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.760 1.875 -0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.450 0.620 -2.447 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.689 0.232 -2.256 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.537 -0.389 -3.275 1.00 0.00 H new ATOM 333 N LEU A 69 -5.912 5.283 0.342 1.00 0.00 N ATOM 334 CA LEU A 69 -7.182 5.704 -0.223 1.00 0.00 C ATOM 335 C LEU A 69 -7.105 7.099 -0.816 1.00 0.00 C ATOM 336 O LEU A 69 -7.594 7.336 -1.921 1.00 0.00 O ATOM 337 CB LEU A 69 -8.288 5.645 0.829 1.00 0.00 C ATOM 338 CG LEU A 69 -8.972 4.289 0.932 1.00 0.00 C ATOM 339 CD1 LEU A 69 -10.141 4.340 1.904 1.00 0.00 C ATOM 340 CD2 LEU A 69 -9.427 3.855 -0.450 1.00 0.00 C ATOM 0 H LEU A 69 -5.918 5.168 1.356 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.418 5.010 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.866 5.902 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.037 6.402 0.597 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.263 3.558 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.612 3.358 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.780 4.625 2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.870 5.073 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.918 2.884 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.127 4.589 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.563 3.780 -1.111 1.00 0.00 H new ATOM 352 N THR A 70 -6.493 8.017 -0.088 1.00 0.00 N ATOM 353 CA THR A 70 -6.424 9.395 -0.533 1.00 0.00 C ATOM 354 C THR A 70 -5.491 9.556 -1.735 1.00 0.00 C ATOM 355 O THR A 70 -5.845 10.206 -2.704 1.00 0.00 O ATOM 356 CB THR A 70 -5.981 10.333 0.606 1.00 0.00 C ATOM 357 OG1 THR A 70 -6.922 10.252 1.687 1.00 0.00 O ATOM 358 CG2 THR A 70 -5.879 11.775 0.122 1.00 0.00 C ATOM 0 H THR A 70 -6.040 7.834 0.807 1.00 0.00 H new ATOM 0 HA THR A 70 -7.431 9.675 -0.842 1.00 0.00 H new ATOM 0 HB THR A 70 -4.995 10.017 0.948 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.685 9.502 2.271 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.565 12.414 0.947 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.148 11.837 -0.684 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.851 12.106 -0.243 1.00 0.00 H new ATOM 366 N MET A 71 -4.306 8.962 -1.662 1.00 0.00 N ATOM 367 CA MET A 71 -3.357 8.984 -2.777 1.00 0.00 C ATOM 368 C MET A 71 -3.951 8.314 -4.009 1.00 0.00 C ATOM 369 O MET A 71 -3.585 8.639 -5.141 1.00 0.00 O ATOM 370 CB MET A 71 -2.041 8.294 -2.398 1.00 0.00 C ATOM 371 CG MET A 71 -1.196 9.073 -1.401 1.00 0.00 C ATOM 372 SD MET A 71 -0.671 10.675 -2.039 1.00 0.00 S ATOM 373 CE MET A 71 0.269 11.299 -0.649 1.00 0.00 C ATOM 0 H MET A 71 -3.975 8.456 -0.840 1.00 0.00 H new ATOM 0 HA MET A 71 -3.149 10.029 -3.008 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.265 7.313 -1.980 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.456 8.129 -3.303 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.767 9.221 -0.484 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.317 8.485 -1.138 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.450 12.366 -0.781 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.292 11.137 0.272 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.223 10.774 -0.590 1.00 0.00 H new ATOM 383 N MET A 72 -4.851 7.364 -3.785 1.00 0.00 N ATOM 384 CA MET A 72 -5.558 6.728 -4.885 1.00 0.00 C ATOM 385 C MET A 72 -6.587 7.686 -5.475 1.00 0.00 C ATOM 386 O MET A 72 -6.407 8.190 -6.591 1.00 0.00 O ATOM 387 CB MET A 72 -6.254 5.452 -4.409 1.00 0.00 C ATOM 388 CG MET A 72 -6.963 4.696 -5.517 1.00 0.00 C ATOM 389 SD MET A 72 -7.953 3.326 -4.898 1.00 0.00 S ATOM 390 CE MET A 72 -6.712 2.376 -4.032 1.00 0.00 C ATOM 0 H MET A 72 -5.106 7.021 -2.859 1.00 0.00 H new ATOM 0 HA MET A 72 -4.831 6.467 -5.654 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.516 4.796 -3.948 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.978 5.710 -3.636 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.605 5.384 -6.067 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.224 4.316 -6.223 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.098 1.378 -3.823 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.817 2.297 -4.650 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.463 2.872 -3.094 1.00 0.00 H new ATOM 400 N ALA A 73 -7.649 7.957 -4.711 1.00 0.00 N ATOM 401 CA ALA A 73 -8.702 8.896 -5.109 1.00 0.00 C ATOM 402 C ALA A 73 -8.156 10.272 -5.457 1.00 0.00 C ATOM 403 O ALA A 73 -8.866 11.088 -6.045 1.00 0.00 O ATOM 404 CB ALA A 73 -9.740 9.012 -4.003 1.00 0.00 C ATOM 0 H ALA A 73 -7.803 7.531 -3.797 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.165 8.497 -6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.519 9.712 -4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.184 8.034 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.263 9.374 -3.092 1.00 0.00 H new ATOM 410 N ARG A 74 -6.912 10.529 -5.054 1.00 0.00 N ATOM 411 CA ARG A 74 -6.196 11.737 -5.432 1.00 0.00 C ATOM 412 C ARG A 74 -6.469 12.081 -6.895 1.00 0.00 C ATOM 413 O ARG A 74 -6.773 13.228 -7.232 1.00 0.00 O ATOM 414 CB ARG A 74 -4.689 11.558 -5.196 1.00 0.00 C ATOM 415 CG ARG A 74 -3.855 12.755 -5.610 1.00 0.00 C ATOM 416 CD ARG A 74 -2.409 12.611 -5.161 1.00 0.00 C ATOM 417 NE ARG A 74 -1.788 11.374 -5.643 1.00 0.00 N ATOM 418 CZ ARG A 74 -0.469 11.200 -5.754 1.00 0.00 C ATOM 419 NH1 ARG A 74 0.363 12.200 -5.481 1.00 0.00 N ATOM 420 NH2 ARG A 74 0.022 10.032 -6.153 1.00 0.00 N ATOM 0 H ARG A 74 -6.375 9.901 -4.455 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.550 12.560 -4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.518 11.357 -4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.347 10.681 -5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.891 12.867 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.281 13.662 -5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.835 13.465 -5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.367 12.634 -4.072 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.399 10.602 -5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.006 13.104 -5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.370 12.063 -5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.610 9.263 -6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.031 9.904 -6.236 1.00 0.00 H new ATOM 434 N LYS A 75 -6.354 11.080 -7.762 1.00 0.00 N ATOM 435 CA LYS A 75 -6.768 11.234 -9.146 1.00 0.00 C ATOM 436 C LYS A 75 -7.646 10.070 -9.607 1.00 0.00 C ATOM 437 O LYS A 75 -8.595 10.268 -10.367 1.00 0.00 O ATOM 438 CB LYS A 75 -5.560 11.414 -10.076 1.00 0.00 C ATOM 439 CG LYS A 75 -4.469 10.362 -9.933 1.00 0.00 C ATOM 440 CD LYS A 75 -3.284 10.696 -10.829 1.00 0.00 C ATOM 441 CE LYS A 75 -2.094 9.775 -10.589 1.00 0.00 C ATOM 442 NZ LYS A 75 -2.361 8.374 -11.009 1.00 0.00 N ATOM 0 H LYS A 75 -5.980 10.160 -7.530 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.370 12.141 -9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.912 11.411 -11.107 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.123 12.395 -9.891 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.143 10.307 -8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.865 9.381 -10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.590 10.625 -11.873 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.981 11.729 -10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.230 10.155 -11.134 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.836 9.790 -9.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.515 7.794 -10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.158 7.993 -10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.598 8.354 -12.022 1.00 0.00 H new ATOM 456 N MET A 76 -7.337 8.859 -9.153 1.00 0.00 N ATOM 457 CA MET A 76 -8.015 7.672 -9.663 1.00 0.00 C ATOM 458 C MET A 76 -8.937 7.037 -8.612 1.00 0.00 C ATOM 459 O MET A 76 -8.472 6.513 -7.604 1.00 0.00 O ATOM 460 CB MET A 76 -6.981 6.649 -10.159 1.00 0.00 C ATOM 461 CG MET A 76 -5.964 6.233 -9.107 1.00 0.00 C ATOM 462 SD MET A 76 -4.258 6.475 -9.645 1.00 0.00 S ATOM 463 CE MET A 76 -4.163 5.321 -11.011 1.00 0.00 C ATOM 0 H MET A 76 -6.630 8.675 -8.441 1.00 0.00 H new ATOM 0 HA MET A 76 -8.644 7.983 -10.497 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.505 5.761 -10.513 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.452 7.069 -11.014 1.00 0.00 H new ATOM 0 HG2 MET A 76 -6.137 6.805 -8.196 1.00 0.00 H new ATOM 0 HG3 MET A 76 -6.116 5.183 -8.858 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.126 5.223 -11.333 1.00 0.00 H new ATOM 0 HE2 MET A 76 -4.537 4.348 -10.692 1.00 0.00 H new ATOM 0 HE3 MET A 76 -4.768 5.688 -11.840 1.00 0.00 H new ATOM 473 N LYS A 77 -10.241 7.078 -8.834 1.00 0.00 N ATOM 474 CA LYS A 77 -11.156 6.274 -8.038 1.00 0.00 C ATOM 475 C LYS A 77 -11.813 5.230 -8.928 1.00 0.00 C ATOM 476 O LYS A 77 -12.513 5.570 -9.881 1.00 0.00 O ATOM 477 CB LYS A 77 -12.212 7.129 -7.329 1.00 0.00 C ATOM 478 CG LYS A 77 -13.161 6.321 -6.443 1.00 0.00 C ATOM 479 CD LYS A 77 -12.404 5.457 -5.438 1.00 0.00 C ATOM 480 CE LYS A 77 -13.346 4.684 -4.515 1.00 0.00 C ATOM 481 NZ LYS A 77 -14.259 3.773 -5.267 1.00 0.00 N ATOM 0 H LYS A 77 -10.686 7.652 -9.550 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.581 5.779 -7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.710 7.880 -6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.795 7.665 -8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.826 7.000 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.789 5.686 -7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.766 4.754 -5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.749 6.089 -4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.758 4.101 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.939 5.389 -3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.806 3.198 -4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.910 4.337 -5.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.698 3.148 -5.881 1.00 0.00 H new ATOM 495 N ASP A 78 -11.575 3.968 -8.628 1.00 0.00 N ATOM 496 CA ASP A 78 -12.080 2.888 -9.466 1.00 0.00 C ATOM 497 C ASP A 78 -12.322 1.627 -8.648 1.00 0.00 C ATOM 498 O ASP A 78 -12.973 0.689 -9.099 1.00 0.00 O ATOM 499 CB ASP A 78 -11.077 2.616 -10.593 1.00 0.00 C ATOM 500 CG ASP A 78 -11.487 1.469 -11.492 1.00 0.00 C ATOM 501 OD1 ASP A 78 -12.662 1.439 -11.919 1.00 0.00 O ATOM 502 OD2 ASP A 78 -10.648 0.583 -11.753 1.00 0.00 O ATOM 0 H ASP A 78 -11.039 3.662 -7.816 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.036 3.189 -9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.963 3.518 -11.195 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.102 2.398 -10.158 1.00 0.00 H new ATOM 507 N THR A 79 -11.820 1.624 -7.427 1.00 0.00 N ATOM 508 CA THR A 79 -11.888 0.448 -6.582 1.00 0.00 C ATOM 509 C THR A 79 -13.285 0.142 -6.095 1.00 0.00 C ATOM 510 O THR A 79 -14.203 0.961 -6.184 1.00 0.00 O ATOM 511 CB THR A 79 -11.018 0.621 -5.342 1.00 0.00 C ATOM 512 OG1 THR A 79 -10.433 1.930 -5.367 1.00 0.00 O ATOM 513 CG2 THR A 79 -9.944 -0.452 -5.284 1.00 0.00 C ATOM 0 H THR A 79 -11.359 2.426 -6.998 1.00 0.00 H new ATOM 0 HA THR A 79 -11.539 -0.372 -7.210 1.00 0.00 H new ATOM 0 HB THR A 79 -11.632 0.516 -4.448 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.531 1.893 -4.986 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.335 -0.309 -4.391 1.00 0.00 H new ATOM 0 HG22 THR A 79 -10.413 -1.435 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.312 -0.382 -6.169 1.00 0.00 H new ATOM 521 N ASP A 80 -13.395 -1.058 -5.573 1.00 0.00 N ATOM 522 CA ASP A 80 -14.555 -1.521 -4.850 1.00 0.00 C ATOM 523 C ASP A 80 -14.499 -1.013 -3.405 1.00 0.00 C ATOM 524 O ASP A 80 -13.904 0.027 -3.123 1.00 0.00 O ATOM 525 CB ASP A 80 -14.646 -3.050 -4.911 1.00 0.00 C ATOM 526 CG ASP A 80 -14.745 -3.555 -6.335 1.00 0.00 C ATOM 527 OD1 ASP A 80 -15.873 -3.685 -6.846 1.00 0.00 O ATOM 528 OD2 ASP A 80 -13.693 -3.835 -6.947 1.00 0.00 O ATOM 0 H ASP A 80 -12.657 -1.759 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.457 -1.122 -5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.769 -3.485 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.516 -3.384 -4.346 1.00 0.00 H new ATOM 533 N SER A 81 -15.117 -1.759 -2.510 1.00 0.00 N ATOM 534 CA SER A 81 -15.445 -1.283 -1.169 1.00 0.00 C ATOM 535 C SER A 81 -14.190 -1.059 -0.330 1.00 0.00 C ATOM 536 O SER A 81 -13.114 -1.572 -0.651 1.00 0.00 O ATOM 537 CB SER A 81 -16.359 -2.296 -0.474 1.00 0.00 C ATOM 538 OG SER A 81 -15.707 -3.547 -0.324 1.00 0.00 O ATOM 0 H SER A 81 -15.410 -2.720 -2.689 1.00 0.00 H new ATOM 0 HA SER A 81 -15.957 -0.326 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.653 -1.915 0.504 1.00 0.00 H new ATOM 0 HB3 SER A 81 -17.273 -2.425 -1.054 1.00 0.00 H new ATOM 0 HG SER A 81 -16.309 -4.178 0.124 1.00 0.00 H new ATOM 544 N GLU A 82 -14.328 -0.288 0.742 1.00 0.00 N ATOM 545 CA GLU A 82 -13.235 -0.067 1.673 1.00 0.00 C ATOM 546 C GLU A 82 -12.741 -1.395 2.243 1.00 0.00 C ATOM 547 O GLU A 82 -11.554 -1.555 2.532 1.00 0.00 O ATOM 548 CB GLU A 82 -13.693 0.853 2.803 1.00 0.00 C ATOM 549 CG GLU A 82 -12.561 1.390 3.661 1.00 0.00 C ATOM 550 CD GLU A 82 -13.069 2.235 4.807 1.00 0.00 C ATOM 551 OE1 GLU A 82 -13.415 3.409 4.572 1.00 0.00 O ATOM 552 OE2 GLU A 82 -13.114 1.734 5.947 1.00 0.00 O ATOM 0 H GLU A 82 -15.192 0.196 0.986 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.411 0.407 1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.240 1.693 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.391 0.309 3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.979 0.557 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.888 1.985 3.043 1.00 0.00 H new ATOM 559 N GLU A 83 -13.651 -2.353 2.396 1.00 0.00 N ATOM 560 CA GLU A 83 -13.289 -3.680 2.878 1.00 0.00 C ATOM 561 C GLU A 83 -12.346 -4.378 1.904 1.00 0.00 C ATOM 562 O GLU A 83 -11.415 -5.069 2.321 1.00 0.00 O ATOM 563 CB GLU A 83 -14.541 -4.524 3.091 1.00 0.00 C ATOM 564 CG GLU A 83 -15.525 -3.909 4.068 1.00 0.00 C ATOM 565 CD GLU A 83 -16.736 -4.784 4.287 1.00 0.00 C ATOM 566 OE1 GLU A 83 -17.687 -4.698 3.485 1.00 0.00 O ATOM 567 OE2 GLU A 83 -16.742 -5.567 5.259 1.00 0.00 O ATOM 0 H GLU A 83 -14.643 -2.234 2.193 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.771 -3.564 3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.037 -4.672 2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.248 -5.509 3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.027 -3.736 5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.845 -2.936 3.695 1.00 0.00 H new ATOM 574 N GLU A 84 -12.579 -4.187 0.609 1.00 0.00 N ATOM 575 CA GLU A 84 -11.672 -4.707 -0.408 1.00 0.00 C ATOM 576 C GLU A 84 -10.310 -4.041 -0.271 1.00 0.00 C ATOM 577 O GLU A 84 -9.279 -4.647 -0.544 1.00 0.00 O ATOM 578 CB GLU A 84 -12.229 -4.473 -1.815 1.00 0.00 C ATOM 579 CG GLU A 84 -13.457 -5.308 -2.130 1.00 0.00 C ATOM 580 CD GLU A 84 -13.176 -6.795 -2.073 1.00 0.00 C ATOM 581 OE1 GLU A 84 -12.701 -7.352 -3.085 1.00 0.00 O ATOM 582 OE2 GLU A 84 -13.425 -7.410 -1.012 1.00 0.00 O ATOM 0 H GLU A 84 -13.383 -3.679 0.241 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.569 -5.782 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.479 -3.418 -1.927 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.452 -4.695 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.250 -5.064 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.824 -5.048 -3.123 1.00 0.00 H new ATOM 589 N ILE A 85 -10.320 -2.785 0.161 1.00 0.00 N ATOM 590 CA ILE A 85 -9.092 -2.056 0.417 1.00 0.00 C ATOM 591 C ILE A 85 -8.350 -2.670 1.607 1.00 0.00 C ATOM 592 O ILE A 85 -7.124 -2.739 1.609 1.00 0.00 O ATOM 593 CB ILE A 85 -9.352 -0.556 0.683 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.183 0.052 -0.451 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.037 0.205 0.829 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.504 -0.018 -1.804 1.00 0.00 C ATOM 0 H ILE A 85 -11.171 -2.252 0.341 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.477 -2.134 -0.480 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.909 -0.470 1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.140 -0.466 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.398 1.094 -0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.245 1.259 1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.469 -0.206 1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.456 0.107 -0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.150 0.431 -2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.559 0.525 -1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.314 -1.060 -2.062 1.00 0.00 H new ATOM 608 N ARG A 86 -9.096 -3.144 2.605 1.00 0.00 N ATOM 609 CA ARG A 86 -8.491 -3.799 3.766 1.00 0.00 C ATOM 610 C ARG A 86 -7.768 -5.067 3.331 1.00 0.00 C ATOM 611 O ARG A 86 -6.623 -5.323 3.723 1.00 0.00 O ATOM 612 CB ARG A 86 -9.546 -4.164 4.813 1.00 0.00 C ATOM 613 CG ARG A 86 -10.400 -2.996 5.270 1.00 0.00 C ATOM 614 CD ARG A 86 -11.265 -3.384 6.459 1.00 0.00 C ATOM 615 NE ARG A 86 -10.457 -3.651 7.649 1.00 0.00 N ATOM 616 CZ ARG A 86 -10.570 -4.743 8.407 1.00 0.00 C ATOM 617 NH1 ARG A 86 -11.507 -5.651 8.146 1.00 0.00 N ATOM 618 NH2 ARG A 86 -9.751 -4.915 9.435 1.00 0.00 N ATOM 0 H ARG A 86 -10.114 -3.088 2.634 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.785 -3.098 4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.197 -4.936 4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.047 -4.596 5.680 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.759 -2.157 5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.034 -2.661 4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.973 -2.583 6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.851 -4.269 6.210 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.761 -2.956 7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.145 -5.515 7.362 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.587 -6.483 8.730 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.039 -4.214 9.643 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.833 -5.748 10.018 1.00 0.00 H new ATOM 632 N GLU A 87 -8.436 -5.845 2.491 1.00 0.00 N ATOM 633 CA GLU A 87 -7.855 -7.065 1.964 1.00 0.00 C ATOM 634 C GLU A 87 -6.723 -6.731 1.007 1.00 0.00 C ATOM 635 O GLU A 87 -5.795 -7.519 0.833 1.00 0.00 O ATOM 636 CB GLU A 87 -8.915 -7.923 1.271 1.00 0.00 C ATOM 637 CG GLU A 87 -9.670 -8.835 2.223 1.00 0.00 C ATOM 638 CD GLU A 87 -8.794 -9.937 2.789 1.00 0.00 C ATOM 639 OE1 GLU A 87 -8.626 -10.979 2.124 1.00 0.00 O ATOM 640 OE2 GLU A 87 -8.273 -9.770 3.912 1.00 0.00 O ATOM 0 H GLU A 87 -9.381 -5.650 2.161 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.452 -7.643 2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.626 -7.270 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.436 -8.529 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.078 -8.242 3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.516 -9.280 1.700 1.00 0.00 H new ATOM 647 N ALA A 88 -6.792 -5.545 0.410 1.00 0.00 N ATOM 648 CA ALA A 88 -5.736 -5.065 -0.462 1.00 0.00 C ATOM 649 C ALA A 88 -4.481 -4.784 0.351 1.00 0.00 C ATOM 650 O ALA A 88 -3.387 -5.130 -0.062 1.00 0.00 O ATOM 651 CB ALA A 88 -6.180 -3.819 -1.219 1.00 0.00 C ATOM 0 H ALA A 88 -7.574 -4.899 0.518 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.512 -5.838 -1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.371 -3.479 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.055 -4.054 -1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.432 -3.032 -0.508 1.00 0.00 H new ATOM 657 N PHE A 89 -4.648 -4.169 1.516 1.00 0.00 N ATOM 658 CA PHE A 89 -3.530 -3.946 2.436 1.00 0.00 C ATOM 659 C PHE A 89 -2.866 -5.259 2.816 1.00 0.00 C ATOM 660 O PHE A 89 -1.656 -5.325 3.010 1.00 0.00 O ATOM 661 CB PHE A 89 -4.000 -3.220 3.697 1.00 0.00 C ATOM 662 CG PHE A 89 -4.001 -1.728 3.564 1.00 0.00 C ATOM 663 CD1 PHE A 89 -4.998 -1.079 2.861 1.00 0.00 C ATOM 664 CD2 PHE A 89 -2.991 -0.975 4.137 1.00 0.00 C ATOM 665 CE1 PHE A 89 -4.991 0.293 2.737 1.00 0.00 C ATOM 666 CE2 PHE A 89 -2.978 0.397 4.017 1.00 0.00 C ATOM 667 CZ PHE A 89 -3.980 1.031 3.312 1.00 0.00 C ATOM 0 H PHE A 89 -5.545 -3.815 1.849 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.800 -3.322 1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.007 -3.555 3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.356 -3.502 4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.791 -1.653 2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.203 -1.470 4.685 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.778 0.790 2.189 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.187 0.974 4.473 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.972 2.106 3.211 1.00 0.00 H new ATOM 677 N ARG A 90 -3.672 -6.295 2.941 1.00 0.00 N ATOM 678 CA ARG A 90 -3.181 -7.625 3.262 1.00 0.00 C ATOM 679 C ARG A 90 -2.527 -8.306 2.050 1.00 0.00 C ATOM 680 O ARG A 90 -1.594 -9.092 2.206 1.00 0.00 O ATOM 681 CB ARG A 90 -4.363 -8.430 3.788 1.00 0.00 C ATOM 682 CG ARG A 90 -4.072 -9.860 4.188 1.00 0.00 C ATOM 683 CD ARG A 90 -5.330 -10.479 4.766 1.00 0.00 C ATOM 684 NE ARG A 90 -5.167 -11.871 5.162 1.00 0.00 N ATOM 685 CZ ARG A 90 -6.196 -12.691 5.350 1.00 0.00 C ATOM 686 NH1 ARG A 90 -7.434 -12.261 5.109 1.00 0.00 N ATOM 687 NH2 ARG A 90 -5.995 -13.938 5.756 1.00 0.00 N ATOM 0 H ARG A 90 -4.684 -6.241 2.824 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.398 -7.561 4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.775 -7.909 4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.139 -8.439 3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.735 -10.431 3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.267 -9.889 4.922 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.645 -9.898 5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.130 -10.411 4.029 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.223 -12.232 5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.588 -11.307 4.782 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.228 -12.886 5.251 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.046 -14.272 5.926 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.789 -14.562 5.898 1.00 0.00 H new ATOM 701 N VAL A 91 -3.014 -8.001 0.848 1.00 0.00 N ATOM 702 CA VAL A 91 -2.457 -8.581 -0.377 1.00 0.00 C ATOM 703 C VAL A 91 -1.225 -7.807 -0.845 1.00 0.00 C ATOM 704 O VAL A 91 -0.209 -8.403 -1.201 1.00 0.00 O ATOM 705 CB VAL A 91 -3.497 -8.614 -1.523 1.00 0.00 C ATOM 706 CG1 VAL A 91 -2.864 -9.097 -2.822 1.00 0.00 C ATOM 707 CG2 VAL A 91 -4.672 -9.505 -1.161 1.00 0.00 C ATOM 0 H VAL A 91 -3.791 -7.358 0.695 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.171 -9.604 -0.132 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.859 -7.596 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.617 -9.111 -3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.055 -8.424 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.467 -10.103 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.389 -9.512 -1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.317 -10.520 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.154 -9.124 -0.261 1.00 0.00 H new ATOM 717 N PHE A 92 -1.309 -6.481 -0.804 1.00 0.00 N ATOM 718 CA PHE A 92 -0.235 -5.602 -1.268 1.00 0.00 C ATOM 719 C PHE A 92 0.914 -5.554 -0.266 1.00 0.00 C ATOM 720 O PHE A 92 1.758 -4.660 -0.305 1.00 0.00 O ATOM 721 CB PHE A 92 -0.750 -4.191 -1.561 1.00 0.00 C ATOM 722 CG PHE A 92 -1.509 -4.088 -2.853 1.00 0.00 C ATOM 723 CD1 PHE A 92 -0.843 -4.143 -4.068 1.00 0.00 C ATOM 724 CD2 PHE A 92 -2.884 -3.938 -2.853 1.00 0.00 C ATOM 725 CE1 PHE A 92 -1.537 -4.044 -5.258 1.00 0.00 C ATOM 726 CE2 PHE A 92 -3.583 -3.839 -4.038 1.00 0.00 C ATOM 727 CZ PHE A 92 -2.910 -3.896 -5.244 1.00 0.00 C ATOM 0 H PHE A 92 -2.124 -5.982 -0.448 1.00 0.00 H new ATOM 0 HA PHE A 92 0.143 -6.022 -2.200 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.395 -3.871 -0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.095 -3.503 -1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.230 -4.265 -4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.417 -3.898 -1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.007 -4.082 -6.198 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.656 -3.717 -4.024 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.456 -3.825 -6.173 1.00 0.00 H new ATOM 737 N ASP A 93 0.923 -6.521 0.630 1.00 0.00 N ATOM 738 CA ASP A 93 1.934 -6.627 1.660 1.00 0.00 C ATOM 739 C ASP A 93 2.419 -8.067 1.672 1.00 0.00 C ATOM 740 O ASP A 93 1.626 -8.991 1.496 1.00 0.00 O ATOM 741 CB ASP A 93 1.354 -6.237 3.028 1.00 0.00 C ATOM 742 CG ASP A 93 2.398 -6.168 4.129 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.456 -6.796 4.031 1.00 0.00 O ATOM 744 OD2 ASP A 93 2.184 -5.495 5.141 1.00 0.00 O ATOM 0 H ASP A 93 0.222 -7.261 0.663 1.00 0.00 H new ATOM 0 HA ASP A 93 2.762 -5.948 1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.862 -5.268 2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.588 -6.960 3.309 1.00 0.00 H new ATOM 749 N LYS A 94 3.706 -8.263 1.899 1.00 0.00 N ATOM 750 CA LYS A 94 4.271 -9.596 1.838 1.00 0.00 C ATOM 751 C LYS A 94 4.143 -10.281 3.194 1.00 0.00 C ATOM 752 O LYS A 94 4.286 -11.498 3.312 1.00 0.00 O ATOM 753 CB LYS A 94 5.723 -9.573 1.352 1.00 0.00 C ATOM 754 CG LYS A 94 6.571 -8.433 1.891 1.00 0.00 C ATOM 755 CD LYS A 94 7.967 -8.490 1.289 1.00 0.00 C ATOM 756 CE LYS A 94 8.737 -7.192 1.466 1.00 0.00 C ATOM 757 NZ LYS A 94 8.943 -6.849 2.896 1.00 0.00 N ATOM 0 H LYS A 94 4.372 -7.524 2.125 1.00 0.00 H new ATOM 0 HA LYS A 94 3.706 -10.174 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.195 -10.516 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.723 -9.521 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.103 -7.478 1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.632 -8.497 2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.525 -9.304 1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.891 -8.720 0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.705 -7.276 0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.198 -6.382 0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.928 -6.548 3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.301 -6.076 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.745 -7.683 3.485 1.00 0.00 H new ATOM 771 N ASP A 95 3.878 -9.477 4.214 1.00 0.00 N ATOM 772 CA ASP A 95 3.638 -9.983 5.565 1.00 0.00 C ATOM 773 C ASP A 95 2.231 -9.633 6.058 1.00 0.00 C ATOM 774 O ASP A 95 1.854 -9.969 7.180 1.00 0.00 O ATOM 775 CB ASP A 95 4.679 -9.415 6.530 1.00 0.00 C ATOM 776 CG ASP A 95 4.771 -7.904 6.437 1.00 0.00 C ATOM 777 OD1 ASP A 95 3.788 -7.215 6.734 1.00 0.00 O ATOM 778 OD2 ASP A 95 5.851 -7.377 6.121 1.00 0.00 O ATOM 0 H ASP A 95 3.823 -8.462 4.133 1.00 0.00 H new ATOM 0 HA ASP A 95 3.723 -11.069 5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.423 -9.701 7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.653 -9.852 6.312 1.00 0.00 H new ATOM 783 N GLY A 96 1.461 -8.977 5.187 1.00 0.00 N ATOM 784 CA GLY A 96 0.101 -8.542 5.502 1.00 0.00 C ATOM 785 C GLY A 96 -0.079 -7.855 6.851 1.00 0.00 C ATOM 786 O GLY A 96 -1.083 -8.097 7.523 1.00 0.00 O ATOM 0 H GLY A 96 1.764 -8.733 4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.232 -7.859 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.556 -9.411 5.467 1.00 0.00 H new ATOM 790 N ASN A 97 0.842 -6.974 7.252 1.00 0.00 N ATOM 791 CA ASN A 97 0.723 -6.297 8.549 1.00 0.00 C ATOM 792 C ASN A 97 -0.306 -5.160 8.518 1.00 0.00 C ATOM 793 O ASN A 97 -0.305 -4.290 9.387 1.00 0.00 O ATOM 794 CB ASN A 97 2.089 -5.769 9.040 1.00 0.00 C ATOM 795 CG ASN A 97 2.658 -4.602 8.230 1.00 0.00 C ATOM 796 OD1 ASN A 97 3.429 -4.792 7.282 1.00 0.00 O ATOM 797 ND2 ASN A 97 2.300 -3.386 8.604 1.00 0.00 N ATOM 0 H ASN A 97 1.666 -6.715 6.709 1.00 0.00 H new ATOM 0 HA ASN A 97 0.368 -7.047 9.256 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.989 -5.456 10.079 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.807 -6.589 9.022 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.662 -2.572 8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.662 -3.261 9.390 1.00 0.00 H new ATOM 804 N GLY A 98 -1.188 -5.181 7.524 1.00 0.00 N ATOM 805 CA GLY A 98 -2.249 -4.193 7.449 1.00 0.00 C ATOM 806 C GLY A 98 -1.758 -2.834 6.997 1.00 0.00 C ATOM 807 O GLY A 98 -2.416 -1.824 7.234 1.00 0.00 O ATOM 0 H GLY A 98 -1.187 -5.866 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.017 -4.544 6.760 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.719 -4.097 8.428 1.00 0.00 H new ATOM 811 N TYR A 99 -0.614 -2.814 6.330 1.00 0.00 N ATOM 812 CA TYR A 99 -0.019 -1.574 5.856 1.00 0.00 C ATOM 813 C TYR A 99 0.784 -1.845 4.599 1.00 0.00 C ATOM 814 O TYR A 99 1.440 -2.876 4.484 1.00 0.00 O ATOM 815 CB TYR A 99 0.871 -0.924 6.922 1.00 0.00 C ATOM 816 CG TYR A 99 0.102 -0.283 8.052 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.522 0.948 7.888 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.014 -0.900 9.290 1.00 0.00 C ATOM 819 CE1 TYR A 99 -1.210 1.543 8.925 1.00 0.00 C ATOM 820 CE2 TYR A 99 -0.677 -0.314 10.331 1.00 0.00 C ATOM 821 CZ TYR A 99 -1.344 0.883 10.119 1.00 0.00 C ATOM 822 OH TYR A 99 -1.968 1.496 11.189 1.00 0.00 O ATOM 0 H TYR A 99 -0.075 -3.650 6.103 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.826 -0.875 5.635 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.540 -1.680 7.333 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.497 -0.169 6.447 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.467 1.447 6.932 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.494 -1.855 9.443 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.641 2.525 8.797 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.698 -0.784 11.303 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.977 0.886 11.956 1.00 0.00 H new ATOM 832 N ILE A 100 0.730 -0.919 3.663 1.00 0.00 N ATOM 833 CA ILE A 100 1.337 -1.117 2.359 1.00 0.00 C ATOM 834 C ILE A 100 2.553 -0.212 2.181 1.00 0.00 C ATOM 835 O ILE A 100 2.422 0.998 2.013 1.00 0.00 O ATOM 836 CB ILE A 100 0.305 -0.841 1.244 1.00 0.00 C ATOM 837 CG1 ILE A 100 -0.890 -1.789 1.379 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.930 -0.976 -0.136 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.020 -1.497 0.411 1.00 0.00 C ATOM 0 H ILE A 100 0.270 -0.016 3.781 1.00 0.00 H new ATOM 0 HA ILE A 100 1.668 -2.153 2.291 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.041 0.186 1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.548 -2.812 1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.274 -1.731 2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.177 -0.775 -0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.747 -0.262 -0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.315 -1.988 -0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.828 -2.211 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.391 -0.486 0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.654 -1.584 -0.612 1.00 0.00 H new ATOM 851 N SER A 101 3.736 -0.794 2.247 1.00 0.00 N ATOM 852 CA SER A 101 4.957 -0.040 2.020 1.00 0.00 C ATOM 853 C SER A 101 5.566 -0.448 0.681 1.00 0.00 C ATOM 854 O SER A 101 5.104 -1.401 0.065 1.00 0.00 O ATOM 855 CB SER A 101 5.956 -0.260 3.164 1.00 0.00 C ATOM 856 OG SER A 101 7.067 0.616 3.051 1.00 0.00 O ATOM 0 H SER A 101 3.878 -1.782 2.455 1.00 0.00 H new ATOM 0 HA SER A 101 4.717 1.023 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.459 -0.099 4.121 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.302 -1.294 3.154 1.00 0.00 H new ATOM 0 HG SER A 101 7.063 1.248 3.800 1.00 0.00 H new ATOM 862 N ALA A 102 6.593 0.267 0.244 1.00 0.00 N ATOM 863 CA ALA A 102 7.188 0.031 -1.073 1.00 0.00 C ATOM 864 C ALA A 102 7.680 -1.407 -1.226 1.00 0.00 C ATOM 865 O ALA A 102 7.320 -2.087 -2.186 1.00 0.00 O ATOM 866 CB ALA A 102 8.321 0.995 -1.339 1.00 0.00 C ATOM 0 H ALA A 102 7.034 1.016 0.778 1.00 0.00 H new ATOM 0 HA ALA A 102 6.402 0.199 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.744 0.797 -2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.944 2.017 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.093 0.867 -0.580 1.00 0.00 H new ATOM 872 N ALA A 103 8.524 -1.854 -0.296 1.00 0.00 N ATOM 873 CA ALA A 103 9.015 -3.234 -0.292 1.00 0.00 C ATOM 874 C ALA A 103 7.867 -4.243 -0.408 1.00 0.00 C ATOM 875 O ALA A 103 7.930 -5.184 -1.202 1.00 0.00 O ATOM 876 CB ALA A 103 9.824 -3.495 0.969 1.00 0.00 C ATOM 0 H ALA A 103 8.883 -1.280 0.467 1.00 0.00 H new ATOM 0 HA ALA A 103 9.656 -3.364 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.185 -4.523 0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.673 -2.813 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.194 -3.336 1.845 1.00 0.00 H new ATOM 882 N GLU A 104 6.818 -4.026 0.382 1.00 0.00 N ATOM 883 CA GLU A 104 5.617 -4.863 0.339 1.00 0.00 C ATOM 884 C GLU A 104 4.998 -4.772 -1.041 1.00 0.00 C ATOM 885 O GLU A 104 4.762 -5.780 -1.712 1.00 0.00 O ATOM 886 CB GLU A 104 4.575 -4.348 1.325 1.00 0.00 C ATOM 887 CG GLU A 104 5.147 -3.756 2.614 1.00 0.00 C ATOM 888 CD GLU A 104 5.707 -4.790 3.571 1.00 0.00 C ATOM 889 OE1 GLU A 104 6.681 -5.477 3.214 1.00 0.00 O ATOM 890 OE2 GLU A 104 5.159 -4.921 4.696 1.00 0.00 O ATOM 0 H GLU A 104 6.774 -3.271 1.066 1.00 0.00 H new ATOM 0 HA GLU A 104 5.904 -5.885 0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.971 -3.588 0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.905 -5.168 1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.935 -3.048 2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.364 -3.192 3.122 1.00 0.00 H new ATOM 897 N LEU A 105 4.798 -3.528 -1.455 1.00 0.00 N ATOM 898 CA LEU A 105 4.072 -3.189 -2.661 1.00 0.00 C ATOM 899 C LEU A 105 4.725 -3.836 -3.864 1.00 0.00 C ATOM 900 O LEU A 105 4.056 -4.407 -4.702 1.00 0.00 O ATOM 901 CB LEU A 105 4.057 -1.666 -2.820 1.00 0.00 C ATOM 902 CG LEU A 105 3.329 -1.119 -4.048 1.00 0.00 C ATOM 903 CD1 LEU A 105 1.850 -1.468 -3.998 1.00 0.00 C ATOM 904 CD2 LEU A 105 3.524 0.388 -4.136 1.00 0.00 C ATOM 0 H LEU A 105 5.145 -2.714 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 105 3.049 -3.558 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.599 -1.234 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.089 -1.315 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 105 3.751 -1.581 -4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.352 -1.069 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.732 -2.551 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.404 -1.034 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.003 0.772 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.122 0.860 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.587 0.613 -4.218 1.00 0.00 H new ATOM 916 N ARG A 106 6.040 -3.784 -3.916 1.00 0.00 N ATOM 917 CA ARG A 106 6.755 -4.295 -5.068 1.00 0.00 C ATOM 918 C ARG A 106 6.843 -5.815 -5.045 1.00 0.00 C ATOM 919 O ARG A 106 6.599 -6.454 -6.065 1.00 0.00 O ATOM 920 CB ARG A 106 8.134 -3.654 -5.187 1.00 0.00 C ATOM 921 CG ARG A 106 8.065 -2.247 -5.750 1.00 0.00 C ATOM 922 CD ARG A 106 9.428 -1.725 -6.159 1.00 0.00 C ATOM 923 NE ARG A 106 9.311 -0.499 -6.942 1.00 0.00 N ATOM 924 CZ ARG A 106 10.341 0.254 -7.320 1.00 0.00 C ATOM 925 NH1 ARG A 106 11.587 -0.114 -7.041 1.00 0.00 N ATOM 926 NH2 ARG A 106 10.124 1.355 -8.027 1.00 0.00 N ATOM 0 H ARG A 106 6.632 -3.397 -3.181 1.00 0.00 H new ATOM 0 HA ARG A 106 6.186 -4.021 -5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.607 -3.628 -4.205 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.765 -4.270 -5.828 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.400 -2.235 -6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.631 -1.580 -5.005 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.029 -1.536 -5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.951 -2.483 -6.742 1.00 0.00 H new ATOM 0 HE ARG A 106 8.376 -0.199 -7.218 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.761 -0.981 -6.533 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.369 0.470 -7.335 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.172 1.620 -8.278 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.909 1.936 -8.320 1.00 0.00 H new ATOM 940 N HIS A 107 7.175 -6.384 -3.889 1.00 0.00 N ATOM 941 CA HIS A 107 7.239 -7.842 -3.729 1.00 0.00 C ATOM 942 C HIS A 107 5.956 -8.512 -4.228 1.00 0.00 C ATOM 943 O HIS A 107 5.989 -9.590 -4.815 1.00 0.00 O ATOM 944 CB HIS A 107 7.468 -8.201 -2.257 1.00 0.00 C ATOM 945 CG HIS A 107 7.743 -9.657 -2.011 1.00 0.00 C ATOM 946 ND1 HIS A 107 6.764 -10.628 -2.023 1.00 0.00 N ATOM 947 CD2 HIS A 107 8.902 -10.305 -1.735 1.00 0.00 C ATOM 948 CE1 HIS A 107 7.303 -11.800 -1.762 1.00 0.00 C ATOM 949 NE2 HIS A 107 8.597 -11.635 -1.584 1.00 0.00 N ATOM 0 H HIS A 107 7.405 -5.860 -3.045 1.00 0.00 H new ATOM 0 HA HIS A 107 8.073 -8.208 -4.328 1.00 0.00 H new ATOM 0 HB2 HIS A 107 8.306 -7.616 -1.879 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.589 -7.907 -1.683 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.882 -9.858 -1.650 1.00 0.00 H new ATOM 0 HE1 HIS A 107 6.773 -12.739 -1.704 1.00 0.00 H new ATOM 0 HE2 HIS A 107 9.265 -12.375 -1.369 1.00 0.00 H new ATOM 958 N VAL A 108 4.833 -7.860 -3.990 1.00 0.00 N ATOM 959 CA VAL A 108 3.553 -8.409 -4.414 1.00 0.00 C ATOM 960 C VAL A 108 3.234 -8.001 -5.856 1.00 0.00 C ATOM 961 O VAL A 108 2.736 -8.799 -6.649 1.00 0.00 O ATOM 962 CB VAL A 108 2.396 -8.003 -3.478 1.00 0.00 C ATOM 963 CG1 VAL A 108 2.268 -6.494 -3.386 1.00 0.00 C ATOM 964 CG2 VAL A 108 1.091 -8.623 -3.952 1.00 0.00 C ATOM 0 H VAL A 108 4.777 -6.961 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 108 3.648 -9.494 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 108 2.620 -8.380 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.444 -6.239 -2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.195 -6.073 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.073 -6.084 -4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.283 -8.328 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.869 -8.277 -4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.183 -9.709 -3.953 1.00 0.00 H new ATOM 974 N MET A 109 3.536 -6.747 -6.178 1.00 0.00 N ATOM 975 CA MET A 109 3.068 -6.132 -7.412 1.00 0.00 C ATOM 976 C MET A 109 3.834 -6.629 -8.642 1.00 0.00 C ATOM 977 O MET A 109 3.288 -7.398 -9.431 1.00 0.00 O ATOM 978 CB MET A 109 3.154 -4.604 -7.275 1.00 0.00 C ATOM 979 CG MET A 109 2.234 -3.829 -8.208 1.00 0.00 C ATOM 980 SD MET A 109 2.827 -3.767 -9.909 1.00 0.00 S ATOM 981 CE MET A 109 1.502 -2.847 -10.692 1.00 0.00 C ATOM 0 H MET A 109 4.107 -6.134 -5.596 1.00 0.00 H new ATOM 0 HA MET A 109 2.030 -6.425 -7.570 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.919 -4.331 -6.246 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.182 -4.293 -7.460 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.244 -4.286 -8.192 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.121 -2.812 -7.833 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.721 -2.724 -11.753 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.564 -3.390 -10.576 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.414 -1.866 -10.224 1.00 0.00 H new ATOM 991 N THR A 110 5.085 -6.205 -8.832 1.00 0.00 N ATOM 992 CA THR A 110 5.840 -6.614 -10.018 1.00 0.00 C ATOM 993 C THR A 110 7.250 -7.115 -9.688 1.00 0.00 C ATOM 994 O THR A 110 7.890 -7.775 -10.510 1.00 0.00 O ATOM 995 CB THR A 110 5.945 -5.450 -11.020 1.00 0.00 C ATOM 996 OG1 THR A 110 5.854 -4.198 -10.320 1.00 0.00 O ATOM 997 CG2 THR A 110 4.853 -5.534 -12.075 1.00 0.00 C ATOM 0 H THR A 110 5.589 -5.590 -8.193 1.00 0.00 H new ATOM 0 HA THR A 110 5.286 -7.444 -10.457 1.00 0.00 H new ATOM 0 HB THR A 110 6.909 -5.518 -11.524 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.936 -3.860 -10.373 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.952 -4.699 -12.769 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.946 -6.473 -12.621 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.877 -5.490 -11.592 1.00 0.00 H new ATOM 1005 N ASN A 111 7.727 -6.803 -8.490 1.00 0.00 N ATOM 1006 CA ASN A 111 9.109 -7.091 -8.106 1.00 0.00 C ATOM 1007 C ASN A 111 9.210 -8.510 -7.546 1.00 0.00 C ATOM 1008 O ASN A 111 8.240 -9.264 -7.620 1.00 0.00 O ATOM 1009 CB ASN A 111 9.596 -6.044 -7.085 1.00 0.00 C ATOM 1010 CG ASN A 111 11.111 -5.973 -6.953 1.00 0.00 C ATOM 1011 OD1 ASN A 111 11.780 -5.321 -7.754 1.00 0.00 O ATOM 1012 ND2 ASN A 111 11.656 -6.594 -5.916 1.00 0.00 N ATOM 0 H ASN A 111 7.176 -6.348 -7.762 1.00 0.00 H new ATOM 0 HA ASN A 111 9.753 -7.031 -8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.220 -5.063 -7.377 1.00 0.00 H new ATOM 0 HB3 ASN A 111 9.166 -6.273 -6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.663 -6.541 -5.761 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.069 -7.125 -5.273 1.00 0.00 H new ATOM 1019 N LEU A 112 10.389 -8.867 -7.030 1.00 0.00 N ATOM 1020 CA LEU A 112 10.655 -10.199 -6.473 1.00 0.00 C ATOM 1021 C LEU A 112 9.453 -10.755 -5.711 1.00 0.00 C ATOM 1022 O LEU A 112 9.000 -10.158 -4.740 1.00 0.00 O ATOM 1023 CB LEU A 112 11.856 -10.134 -5.526 1.00 0.00 C ATOM 1024 CG LEU A 112 12.399 -11.488 -5.079 1.00 0.00 C ATOM 1025 CD1 LEU A 112 13.020 -12.227 -6.253 1.00 0.00 C ATOM 1026 CD2 LEU A 112 13.410 -11.315 -3.961 1.00 0.00 C ATOM 0 H LEU A 112 11.191 -8.238 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 112 10.863 -10.864 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 112 12.657 -9.582 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.572 -9.564 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 112 11.568 -12.083 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.402 -13.190 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.265 -12.385 -7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 112 13.839 -11.636 -6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.786 -12.292 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 112 14.239 -10.701 -4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.932 -10.828 -3.111 1.00 0.00 H new ATOM 1038 N GLY A 113 8.938 -11.888 -6.168 1.00 0.00 N ATOM 1039 CA GLY A 113 7.789 -12.495 -5.533 1.00 0.00 C ATOM 1040 C GLY A 113 7.624 -13.939 -5.942 1.00 0.00 C ATOM 1041 O GLY A 113 8.042 -14.289 -7.069 1.00 0.00 O ATOM 0 H GLY A 113 9.300 -12.399 -6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.897 -12.433 -4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.890 -11.937 -5.796 1.00 0.00 H new TER 1045 GLY A 113 HETATM 1046 CA CA A 200 1.531 6.435 6.197 1.00 0.00 CA HETATM 1047 CA CA A 300 3.945 -5.770 5.673 1.00 0.00 CA