USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.848 X(o=-0.85,f=-0.46) USER MOD Single : A 35 ASN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 37 THR OG1 : rot 168:sc= 0.0109 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0482 USER MOD Single : A 42 ASN : amide:sc= -0.559 K(o=-0.56,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0636 X(o=-0.064,f=-0.056) USER MOD Single : A 46 LYS NZ :NH3+ -151:sc= 0.683 (180deg=0.245) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0256 X(o=-0.026,f=-0.14) USER MOD Single : A 54 HIS : no HE2:sc= 0.0895 K(o=0.09,f=-0.43) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -113:sc= 0.609 (180deg=-2.68!) USER MOD Single : A 58 LYS NZ :NH3+ 153:sc= 0.627 (180deg=0.184) USER MOD Single : A 62 HIS : no HE2:sc= -1.76 K(o=-1.8,f=-2.5!) USER MOD Single : A 63 CYS SG : rot 50:sc= -0.229 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 79:sc= 0.247 USER MOD Single : A 76 MET CE :methyl -131:sc= -1.79! (180deg=-5.62!) USER MOD Single : A 77 HIS : no HD1:sc= -0.983 K(o=-0.98,f=-2.5!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.227 USER MOD Single : A 82 THR OG1 : rot 58:sc= 0.019 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.982 USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 91 TYR OH : rot 37:sc= -0.205 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 151:sc= -2.55! (180deg=-3.47!) USER MOD Single : A 102 TYR OH : rot 165:sc= -0.852 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -5.428 12.525 -6.330 1.00 0.00 N ATOM 21 CA LEU A 2 -4.842 11.195 -6.005 1.00 0.00 C ATOM 22 C LEU A 2 -5.728 10.040 -6.494 1.00 0.00 C ATOM 23 O LEU A 2 -5.246 8.926 -6.643 1.00 0.00 O ATOM 24 CB LEU A 2 -4.546 11.011 -4.496 1.00 0.00 C ATOM 25 CG LEU A 2 -5.712 10.526 -3.581 1.00 0.00 C ATOM 26 CD1 LEU A 2 -5.157 9.949 -2.277 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.716 11.651 -3.295 1.00 0.00 C ATOM 0 HA LEU A 2 -3.892 11.168 -6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.726 10.299 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.188 11.964 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.249 9.741 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.981 9.614 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.505 9.104 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.588 10.717 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.513 11.273 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.207 12.474 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.142 12.006 -4.233 1.00 0.00 H new ATOM 39 N GLU A 3 -7.026 10.304 -6.699 1.00 0.00 N ATOM 40 CA GLU A 3 -7.973 9.298 -7.237 1.00 0.00 C ATOM 41 C GLU A 3 -7.605 8.907 -8.689 1.00 0.00 C ATOM 42 O GLU A 3 -8.069 7.889 -9.211 1.00 0.00 O ATOM 43 CB GLU A 3 -9.450 9.781 -7.144 1.00 0.00 C ATOM 44 CG GLU A 3 -9.726 11.234 -7.614 1.00 0.00 C ATOM 45 CD GLU A 3 -9.716 12.258 -6.458 1.00 0.00 C ATOM 46 OE1 GLU A 3 -8.630 12.705 -6.048 1.00 0.00 O ATOM 47 OE2 GLU A 3 -10.803 12.595 -5.934 1.00 0.00 O ATOM 0 H GLU A 3 -7.453 11.209 -6.501 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.886 8.408 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.069 9.106 -7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.776 9.688 -6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.975 11.520 -8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.694 11.270 -8.115 1.00 0.00 H new ATOM 54 N ASP A 4 -6.774 9.745 -9.318 1.00 0.00 N ATOM 55 CA ASP A 4 -6.131 9.469 -10.613 1.00 0.00 C ATOM 56 C ASP A 4 -4.996 8.421 -10.431 1.00 0.00 C ATOM 57 O ASP A 4 -4.733 7.606 -11.316 1.00 0.00 O ATOM 58 CB ASP A 4 -5.570 10.798 -11.187 1.00 0.00 C ATOM 59 CG ASP A 4 -6.654 11.894 -11.331 1.00 0.00 C ATOM 60 OD1 ASP A 4 -7.041 12.505 -10.305 1.00 0.00 O ATOM 61 OD2 ASP A 4 -7.146 12.130 -12.460 1.00 0.00 O ATOM 0 H ASP A 4 -6.522 10.656 -8.934 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.860 9.057 -11.311 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.775 11.163 -10.536 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.121 10.607 -12.162 1.00 0.00 H new ATOM 66 N TYR A 5 -4.347 8.472 -9.247 1.00 0.00 N ATOM 67 CA TYR A 5 -3.282 7.528 -8.813 1.00 0.00 C ATOM 68 C TYR A 5 -3.878 6.237 -8.188 1.00 0.00 C ATOM 69 O TYR A 5 -3.125 5.370 -7.715 1.00 0.00 O ATOM 70 CB TYR A 5 -2.344 8.223 -7.769 1.00 0.00 C ATOM 71 CG TYR A 5 -1.496 9.391 -8.312 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.091 10.567 -8.777 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.101 9.318 -8.350 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.330 11.613 -9.261 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.662 10.362 -8.833 1.00 0.00 C ATOM 76 CZ TYR A 5 0.044 11.506 -9.285 1.00 0.00 C ATOM 77 OH TYR A 5 0.803 12.551 -9.765 1.00 0.00 O ATOM 0 H TYR A 5 -4.550 9.186 -8.547 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.712 7.247 -9.698 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.956 8.593 -6.947 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.672 7.472 -7.354 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.167 10.660 -8.757 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.391 8.425 -7.994 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.810 12.512 -9.619 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.739 10.282 -8.856 1.00 0.00 H new ATOM 0 HH TYR A 5 1.753 12.316 -9.713 1.00 0.00 H new ATOM 87 N ALA A 6 -5.228 6.140 -8.157 1.00 0.00 N ATOM 88 CA ALA A 6 -5.952 4.967 -7.618 1.00 0.00 C ATOM 89 C ALA A 6 -5.748 3.743 -8.523 1.00 0.00 C ATOM 90 O ALA A 6 -6.436 3.592 -9.538 1.00 0.00 O ATOM 91 CB ALA A 6 -7.453 5.280 -7.460 1.00 0.00 C ATOM 0 H ALA A 6 -5.845 6.874 -8.505 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.545 4.737 -6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.967 4.405 -7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.580 6.118 -6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.875 5.539 -8.431 1.00 0.00 H new ATOM 97 N ILE A 7 -4.768 2.901 -8.173 1.00 0.00 N ATOM 98 CA ILE A 7 -4.468 1.673 -8.919 1.00 0.00 C ATOM 99 C ILE A 7 -5.442 0.559 -8.487 1.00 0.00 C ATOM 100 O ILE A 7 -5.693 0.375 -7.286 1.00 0.00 O ATOM 101 CB ILE A 7 -2.967 1.219 -8.720 1.00 0.00 C ATOM 102 CG1 ILE A 7 -1.991 2.363 -9.170 1.00 0.00 C ATOM 103 CG2 ILE A 7 -2.670 -0.093 -9.489 1.00 0.00 C ATOM 104 CD1 ILE A 7 -0.510 2.018 -9.093 1.00 0.00 C ATOM 0 H ILE A 7 -4.162 3.051 -7.366 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.600 1.874 -9.982 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.808 1.022 -7.660 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.230 2.640 -10.197 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.176 3.241 -8.551 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.630 -0.379 -9.332 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.323 -0.885 -9.123 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.848 0.061 -10.553 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.080 2.872 -9.424 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.247 1.772 -8.064 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.302 1.162 -9.735 1.00 0.00 H new ATOM 116 N SER A 8 -6.011 -0.150 -9.472 1.00 0.00 N ATOM 117 CA SER A 8 -6.924 -1.279 -9.237 1.00 0.00 C ATOM 118 C SER A 8 -6.147 -2.611 -9.284 1.00 0.00 C ATOM 119 O SER A 8 -5.131 -2.715 -9.979 1.00 0.00 O ATOM 120 CB SER A 8 -8.044 -1.254 -10.294 1.00 0.00 C ATOM 121 OG SER A 8 -8.766 -0.037 -10.240 1.00 0.00 O ATOM 0 H SER A 8 -5.850 0.044 -10.460 1.00 0.00 H new ATOM 0 HA SER A 8 -7.372 -1.189 -8.248 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.614 -1.382 -11.287 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.723 -2.091 -10.130 1.00 0.00 H new ATOM 0 HG SER A 8 -9.470 -0.044 -10.921 1.00 0.00 H new ATOM 127 N LEU A 9 -6.643 -3.621 -8.537 1.00 0.00 N ATOM 128 CA LEU A 9 -6.006 -4.959 -8.426 1.00 0.00 C ATOM 129 C LEU A 9 -5.991 -5.711 -9.785 1.00 0.00 C ATOM 130 O LEU A 9 -5.111 -6.546 -10.039 1.00 0.00 O ATOM 131 CB LEU A 9 -6.726 -5.782 -7.312 1.00 0.00 C ATOM 132 CG LEU A 9 -6.266 -7.266 -7.096 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.744 -7.378 -6.855 1.00 0.00 C ATOM 134 CD2 LEU A 9 -7.055 -7.923 -5.940 1.00 0.00 C ATOM 0 H LEU A 9 -7.500 -3.535 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.961 -4.827 -8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.602 -5.251 -6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.793 -5.790 -7.536 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.484 -7.806 -8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.474 -8.424 -6.711 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.209 -6.981 -7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.473 -6.808 -5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.719 -8.952 -5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.884 -7.365 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.119 -7.916 -6.176 1.00 0.00 H new ATOM 146 N GLU A 10 -6.945 -5.364 -10.660 1.00 0.00 N ATOM 147 CA GLU A 10 -7.061 -5.947 -12.013 1.00 0.00 C ATOM 148 C GLU A 10 -5.912 -5.503 -12.957 1.00 0.00 C ATOM 149 O GLU A 10 -5.680 -6.133 -13.990 1.00 0.00 O ATOM 150 CB GLU A 10 -8.430 -5.568 -12.630 1.00 0.00 C ATOM 151 CG GLU A 10 -8.688 -4.050 -12.734 1.00 0.00 C ATOM 152 CD GLU A 10 -10.019 -3.709 -13.414 1.00 0.00 C ATOM 153 OE1 GLU A 10 -11.080 -3.930 -12.803 1.00 0.00 O ATOM 154 OE2 GLU A 10 -10.009 -3.250 -14.575 1.00 0.00 O ATOM 0 H GLU A 10 -7.662 -4.669 -10.453 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.985 -7.029 -11.906 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.498 -6.004 -13.627 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.221 -6.018 -12.030 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.677 -3.617 -11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.874 -3.587 -13.291 1.00 0.00 H new ATOM 161 N GLU A 11 -5.194 -4.427 -12.590 1.00 0.00 N ATOM 162 CA GLU A 11 -4.153 -3.816 -13.453 1.00 0.00 C ATOM 163 C GLU A 11 -2.865 -3.482 -12.676 1.00 0.00 C ATOM 164 O GLU A 11 -1.957 -2.842 -13.226 1.00 0.00 O ATOM 165 CB GLU A 11 -4.729 -2.545 -14.123 1.00 0.00 C ATOM 166 CG GLU A 11 -5.277 -1.499 -13.130 1.00 0.00 C ATOM 167 CD GLU A 11 -5.796 -0.232 -13.817 1.00 0.00 C ATOM 168 OE1 GLU A 11 -6.994 -0.184 -14.171 1.00 0.00 O ATOM 169 OE2 GLU A 11 -5.012 0.719 -14.010 1.00 0.00 O ATOM 0 H GLU A 11 -5.313 -3.955 -11.694 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.876 -4.546 -14.214 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.949 -2.082 -14.728 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.529 -2.837 -14.803 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.083 -1.946 -12.549 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.490 -1.227 -12.427 1.00 0.00 H new ATOM 176 N VAL A 12 -2.776 -3.921 -11.411 1.00 0.00 N ATOM 177 CA VAL A 12 -1.600 -3.657 -10.559 1.00 0.00 C ATOM 178 C VAL A 12 -0.466 -4.658 -10.874 1.00 0.00 C ATOM 179 O VAL A 12 -0.727 -5.785 -11.301 1.00 0.00 O ATOM 180 CB VAL A 12 -1.975 -3.730 -9.029 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.317 -5.163 -8.577 1.00 0.00 C ATOM 182 CG2 VAL A 12 -0.880 -3.107 -8.132 1.00 0.00 C ATOM 0 H VAL A 12 -3.507 -4.463 -10.951 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.252 -2.647 -10.778 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.877 -3.131 -8.908 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.568 -5.160 -7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.168 -5.532 -9.150 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.458 -5.812 -8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.181 -3.180 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.058 -3.643 -8.278 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.744 -2.059 -8.399 1.00 0.00 H new ATOM 192 N ASN A 13 0.785 -4.216 -10.699 1.00 0.00 N ATOM 193 CA ASN A 13 1.979 -5.076 -10.778 1.00 0.00 C ATOM 194 C ASN A 13 2.873 -4.698 -9.599 1.00 0.00 C ATOM 195 O ASN A 13 3.631 -3.741 -9.692 1.00 0.00 O ATOM 196 CB ASN A 13 2.731 -4.879 -12.129 1.00 0.00 C ATOM 197 CG ASN A 13 1.853 -5.137 -13.359 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.768 -6.260 -13.850 1.00 0.00 O ATOM 199 ND2 ASN A 13 1.178 -4.101 -13.851 1.00 0.00 N ATOM 0 H ASN A 13 1.003 -3.240 -10.496 1.00 0.00 H new ATOM 0 HA ASN A 13 1.696 -6.128 -10.733 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.118 -3.861 -12.175 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.591 -5.549 -12.159 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.568 -4.227 -14.659 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.270 -3.181 -13.420 1.00 0.00 H new ATOM 206 N PHE A 14 2.740 -5.414 -8.472 1.00 0.00 N ATOM 207 CA PHE A 14 3.416 -5.043 -7.204 1.00 0.00 C ATOM 208 C PHE A 14 4.955 -5.039 -7.345 1.00 0.00 C ATOM 209 O PHE A 14 5.634 -4.211 -6.739 1.00 0.00 O ATOM 210 CB PHE A 14 2.967 -5.975 -6.050 1.00 0.00 C ATOM 211 CG PHE A 14 1.473 -5.886 -5.726 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.927 -4.713 -5.204 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.620 -6.966 -5.939 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.423 -4.632 -4.904 1.00 0.00 C ATOM 215 CE2 PHE A 14 -0.726 -6.881 -5.639 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.246 -5.716 -5.123 1.00 0.00 C ATOM 0 H PHE A 14 2.170 -6.257 -8.406 1.00 0.00 H new ATOM 0 HA PHE A 14 3.115 -4.024 -6.963 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.211 -7.005 -6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.538 -5.730 -5.155 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.564 -3.858 -5.032 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.017 -7.885 -6.345 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.831 -3.718 -4.498 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.371 -7.730 -5.810 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.298 -5.651 -4.890 1.00 0.00 H new ATOM 226 N ASN A 15 5.481 -5.939 -8.192 1.00 0.00 N ATOM 227 CA ASN A 15 6.937 -6.042 -8.475 1.00 0.00 C ATOM 228 C ASN A 15 7.466 -4.810 -9.258 1.00 0.00 C ATOM 229 O ASN A 15 8.678 -4.564 -9.290 1.00 0.00 O ATOM 230 CB ASN A 15 7.239 -7.351 -9.247 1.00 0.00 C ATOM 231 CG ASN A 15 6.644 -7.377 -10.661 1.00 0.00 C ATOM 232 OD1 ASN A 15 7.307 -7.027 -11.636 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.384 -7.759 -10.781 1.00 0.00 N ATOM 0 H ASN A 15 4.917 -6.618 -8.703 1.00 0.00 H new ATOM 0 HA ASN A 15 7.459 -6.063 -7.519 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.319 -7.484 -9.313 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.848 -8.196 -8.681 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.939 -7.768 -11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.857 -8.044 -9.956 1.00 0.00 H new ATOM 240 N ASP A 16 6.542 -4.062 -9.889 1.00 0.00 N ATOM 241 CA ASP A 16 6.853 -2.820 -10.627 1.00 0.00 C ATOM 242 C ASP A 16 7.114 -1.661 -9.648 1.00 0.00 C ATOM 243 O ASP A 16 7.976 -0.813 -9.892 1.00 0.00 O ATOM 244 CB ASP A 16 5.675 -2.456 -11.580 1.00 0.00 C ATOM 245 CG ASP A 16 5.922 -1.235 -12.486 1.00 0.00 C ATOM 246 OD1 ASP A 16 7.043 -1.084 -13.014 1.00 0.00 O ATOM 247 OD2 ASP A 16 4.981 -0.445 -12.722 1.00 0.00 O ATOM 0 H ASP A 16 5.551 -4.303 -9.902 1.00 0.00 H new ATOM 0 HA ASP A 16 7.753 -2.985 -11.219 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.458 -3.319 -12.210 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.786 -2.269 -10.978 1.00 0.00 H new ATOM 252 N PHE A 17 6.376 -1.642 -8.519 1.00 0.00 N ATOM 253 CA PHE A 17 6.420 -0.516 -7.554 1.00 0.00 C ATOM 254 C PHE A 17 7.155 -0.939 -6.270 1.00 0.00 C ATOM 255 O PHE A 17 7.325 -2.133 -5.993 1.00 0.00 O ATOM 256 CB PHE A 17 4.983 -0.029 -7.174 1.00 0.00 C ATOM 257 CG PHE A 17 3.928 -0.163 -8.275 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.969 0.641 -9.400 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.902 -1.103 -8.179 1.00 0.00 C ATOM 260 CE1 PHE A 17 3.028 0.518 -10.395 1.00 0.00 C ATOM 261 CE2 PHE A 17 1.960 -1.221 -9.179 1.00 0.00 C ATOM 262 CZ PHE A 17 2.026 -0.417 -10.287 1.00 0.00 C ATOM 0 H PHE A 17 5.741 -2.393 -8.250 1.00 0.00 H new ATOM 0 HA PHE A 17 6.953 0.302 -8.038 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.647 -0.591 -6.303 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.040 1.018 -6.876 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.753 1.377 -9.498 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.845 -1.745 -7.312 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.076 1.158 -11.264 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.168 -1.949 -9.089 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.293 -0.518 -11.073 1.00 0.00 H new ATOM 272 N ILE A 18 7.589 0.060 -5.494 1.00 0.00 N ATOM 273 CA ILE A 18 8.029 -0.124 -4.105 1.00 0.00 C ATOM 274 C ILE A 18 6.763 -0.123 -3.235 1.00 0.00 C ATOM 275 O ILE A 18 6.169 0.937 -3.012 1.00 0.00 O ATOM 276 CB ILE A 18 9.000 1.030 -3.641 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.166 1.234 -4.667 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.546 0.745 -2.217 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.095 2.398 -4.358 1.00 0.00 C ATOM 0 H ILE A 18 7.646 1.027 -5.814 1.00 0.00 H new ATOM 0 HA ILE A 18 8.583 -1.058 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 18 8.431 1.959 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.756 0.319 -4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.737 1.384 -5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.214 1.552 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.715 0.680 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.094 -0.197 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.869 2.459 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.524 3.326 -4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.559 2.244 -3.384 1.00 0.00 H new ATOM 291 N VAL A 19 6.323 -1.303 -2.777 1.00 0.00 N ATOM 292 CA VAL A 19 5.007 -1.441 -2.142 1.00 0.00 C ATOM 293 C VAL A 19 5.137 -1.217 -0.630 1.00 0.00 C ATOM 294 O VAL A 19 6.172 -1.522 -0.027 1.00 0.00 O ATOM 295 CB VAL A 19 4.366 -2.845 -2.464 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.932 -2.979 -1.906 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.379 -3.113 -3.983 1.00 0.00 C ATOM 0 H VAL A 19 6.856 -2.171 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 19 4.337 -0.683 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 19 4.978 -3.596 -1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.535 -3.963 -2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.950 -2.858 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.297 -2.210 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.932 -4.087 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.807 -2.339 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.407 -3.103 -4.345 1.00 0.00 H new ATOM 307 N VAL A 20 4.091 -0.627 -0.046 1.00 0.00 N ATOM 308 CA VAL A 20 3.958 -0.422 1.398 1.00 0.00 C ATOM 309 C VAL A 20 2.614 -1.004 1.849 1.00 0.00 C ATOM 310 O VAL A 20 1.571 -0.716 1.247 1.00 0.00 O ATOM 311 CB VAL A 20 4.039 1.107 1.781 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.778 1.344 3.288 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.396 1.721 1.362 1.00 0.00 C ATOM 0 H VAL A 20 3.296 -0.271 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 20 4.783 -0.926 1.902 1.00 0.00 H new ATOM 0 HB VAL A 20 3.248 1.611 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.844 2.410 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.783 0.982 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.523 0.807 3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.420 2.775 1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.205 1.194 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.520 1.627 0.283 1.00 0.00 H new ATOM 323 N ASP A 21 2.657 -1.853 2.880 1.00 0.00 N ATOM 324 CA ASP A 21 1.458 -2.346 3.566 1.00 0.00 C ATOM 325 C ASP A 21 0.988 -1.238 4.520 1.00 0.00 C ATOM 326 O ASP A 21 1.598 -1.065 5.571 1.00 0.00 O ATOM 327 CB ASP A 21 1.827 -3.653 4.347 1.00 0.00 C ATOM 328 CG ASP A 21 0.610 -4.416 4.900 1.00 0.00 C ATOM 329 OD1 ASP A 21 0.096 -4.068 5.976 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.165 -5.387 4.243 1.00 0.00 O ATOM 0 H ASP A 21 3.528 -2.219 3.264 1.00 0.00 H new ATOM 0 HA ASP A 21 0.657 -2.585 2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.387 -4.314 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.488 -3.395 5.174 1.00 0.00 H new ATOM 335 N VAL A 22 -0.067 -0.475 4.135 1.00 0.00 N ATOM 336 CA VAL A 22 -0.604 0.639 4.962 1.00 0.00 C ATOM 337 C VAL A 22 -1.782 0.141 5.791 1.00 0.00 C ATOM 338 O VAL A 22 -2.955 0.313 5.427 1.00 0.00 O ATOM 339 CB VAL A 22 -1.011 1.911 4.117 1.00 0.00 C ATOM 340 CG1 VAL A 22 0.242 2.687 3.649 1.00 0.00 C ATOM 341 CG2 VAL A 22 -1.903 1.522 2.909 1.00 0.00 C ATOM 0 H VAL A 22 -0.564 -0.611 3.255 1.00 0.00 H new ATOM 0 HA VAL A 22 0.202 0.965 5.620 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.594 2.566 4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.065 3.558 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.814 3.012 4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.861 2.039 3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.166 2.418 2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.359 0.835 2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.812 1.039 3.268 1.00 0.00 H new ATOM 351 N ARG A 23 -1.471 -0.506 6.917 1.00 0.00 N ATOM 352 CA ARG A 23 -2.503 -1.155 7.744 1.00 0.00 C ATOM 353 C ARG A 23 -2.113 -1.099 9.232 1.00 0.00 C ATOM 354 O ARG A 23 -2.436 -0.112 9.915 1.00 0.00 O ATOM 355 CB ARG A 23 -2.787 -2.625 7.261 1.00 0.00 C ATOM 356 CG ARG A 23 -3.414 -2.768 5.843 1.00 0.00 C ATOM 357 CD ARG A 23 -3.861 -4.201 5.508 1.00 0.00 C ATOM 358 NE ARG A 23 -2.745 -5.154 5.441 1.00 0.00 N ATOM 359 CZ ARG A 23 -2.832 -6.475 5.656 1.00 0.00 C ATOM 360 NH1 ARG A 23 -3.945 -7.038 6.126 1.00 0.00 N ATOM 361 NH2 ARG A 23 -1.767 -7.220 5.470 1.00 0.00 N ATOM 0 H ARG A 23 -0.522 -0.597 7.279 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.436 -0.603 7.625 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.849 -3.180 7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.453 -3.101 7.981 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.273 -2.101 5.766 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.688 -2.440 5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.573 -4.538 6.261 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.385 -4.197 4.552 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.825 -4.779 5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.760 -6.461 6.332 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.981 -8.046 6.279 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.892 -6.792 5.167 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.815 -8.226 5.629 1.00 0.00 H new ATOM 375 N GLU A 24 -1.378 -2.121 9.710 1.00 0.00 N ATOM 376 CA GLU A 24 -1.056 -2.290 11.147 1.00 0.00 C ATOM 377 C GLU A 24 -0.064 -3.470 11.289 1.00 0.00 C ATOM 378 O GLU A 24 0.110 -4.251 10.342 1.00 0.00 O ATOM 379 CB GLU A 24 -2.380 -2.546 11.987 1.00 0.00 C ATOM 380 CG GLU A 24 -2.466 -1.828 13.362 1.00 0.00 C ATOM 381 CD GLU A 24 -1.434 -2.323 14.390 1.00 0.00 C ATOM 382 OE1 GLU A 24 -1.580 -3.461 14.883 1.00 0.00 O ATOM 383 OE2 GLU A 24 -0.450 -1.598 14.677 1.00 0.00 O ATOM 0 H GLU A 24 -0.990 -2.853 9.116 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.596 -1.382 11.538 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.234 -2.237 11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.479 -3.619 12.153 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.329 -0.757 13.211 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.467 -1.966 13.771 1.00 0.00 H new ATOM 390 N LEU A 25 0.595 -3.573 12.461 1.00 0.00 N ATOM 391 CA LEU A 25 1.434 -4.729 12.821 1.00 0.00 C ATOM 392 C LEU A 25 0.621 -6.043 12.757 1.00 0.00 C ATOM 393 O LEU A 25 1.053 -6.983 12.107 1.00 0.00 O ATOM 394 CB LEU A 25 2.048 -4.537 14.238 1.00 0.00 C ATOM 395 CG LEU A 25 2.884 -5.739 14.807 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.076 -6.097 13.889 1.00 0.00 C ATOM 397 CD2 LEU A 25 3.367 -5.444 16.248 1.00 0.00 C ATOM 0 H LEU A 25 0.559 -2.855 13.184 1.00 0.00 H new ATOM 0 HA LEU A 25 2.246 -4.797 12.097 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.689 -3.656 14.216 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.238 -4.324 14.935 1.00 0.00 H new ATOM 0 HG LEU A 25 2.225 -6.606 14.837 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.628 -6.933 14.319 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.705 -6.376 12.903 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.737 -5.235 13.798 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.943 -6.291 16.619 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.993 -4.552 16.246 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.505 -5.281 16.894 1.00 0.00 H new ATOM 409 N ASP A 26 -0.564 -6.073 13.409 1.00 0.00 N ATOM 410 CA ASP A 26 -1.440 -7.280 13.459 1.00 0.00 C ATOM 411 C ASP A 26 -1.826 -7.756 12.043 1.00 0.00 C ATOM 412 O ASP A 26 -1.813 -8.958 11.753 1.00 0.00 O ATOM 413 CB ASP A 26 -2.722 -6.986 14.285 1.00 0.00 C ATOM 414 CG ASP A 26 -3.676 -8.203 14.408 1.00 0.00 C ATOM 415 OD1 ASP A 26 -3.417 -9.093 15.252 1.00 0.00 O ATOM 416 OD2 ASP A 26 -4.690 -8.269 13.671 1.00 0.00 O ATOM 0 H ASP A 26 -0.943 -5.271 13.913 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.876 -8.077 13.944 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.433 -6.659 15.284 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.260 -6.159 13.822 1.00 0.00 H new ATOM 421 N GLU A 27 -2.144 -6.772 11.192 1.00 0.00 N ATOM 422 CA GLU A 27 -2.491 -6.974 9.771 1.00 0.00 C ATOM 423 C GLU A 27 -1.317 -7.594 8.981 1.00 0.00 C ATOM 424 O GLU A 27 -1.522 -8.425 8.095 1.00 0.00 O ATOM 425 CB GLU A 27 -2.871 -5.608 9.167 1.00 0.00 C ATOM 426 CG GLU A 27 -4.175 -4.994 9.711 1.00 0.00 C ATOM 427 CD GLU A 27 -5.425 -5.747 9.241 1.00 0.00 C ATOM 428 OE1 GLU A 27 -5.716 -5.720 8.025 1.00 0.00 O ATOM 429 OE2 GLU A 27 -6.131 -6.334 10.077 1.00 0.00 O ATOM 0 H GLU A 27 -2.169 -5.792 11.473 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.328 -7.669 9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.055 -4.908 9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.963 -5.719 8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.145 -4.993 10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.242 -3.953 9.393 1.00 0.00 H new ATOM 436 N TYR A 28 -0.102 -7.156 9.323 1.00 0.00 N ATOM 437 CA TYR A 28 1.156 -7.652 8.736 1.00 0.00 C ATOM 438 C TYR A 28 1.428 -9.116 9.154 1.00 0.00 C ATOM 439 O TYR A 28 1.873 -9.935 8.331 1.00 0.00 O ATOM 440 CB TYR A 28 2.298 -6.711 9.192 1.00 0.00 C ATOM 441 CG TYR A 28 3.727 -7.159 8.853 1.00 0.00 C ATOM 442 CD1 TYR A 28 4.318 -6.829 7.635 1.00 0.00 C ATOM 443 CD2 TYR A 28 4.494 -7.872 9.779 1.00 0.00 C ATOM 444 CE1 TYR A 28 5.609 -7.210 7.351 1.00 0.00 C ATOM 445 CE2 TYR A 28 5.778 -8.249 9.492 1.00 0.00 C ATOM 446 CZ TYR A 28 6.332 -7.913 8.281 1.00 0.00 C ATOM 447 OH TYR A 28 7.609 -8.314 7.980 1.00 0.00 O ATOM 0 H TYR A 28 0.043 -6.433 10.028 1.00 0.00 H new ATOM 0 HA TYR A 28 1.088 -7.649 7.648 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.132 -5.731 8.745 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.226 -6.585 10.272 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.755 -6.267 6.904 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.066 -8.130 10.737 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.052 -6.957 6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.353 -8.808 10.215 1.00 0.00 H new ATOM 0 HH TYR A 28 7.988 -8.800 8.742 1.00 0.00 H new ATOM 457 N GLU A 29 1.148 -9.417 10.442 1.00 0.00 N ATOM 458 CA GLU A 29 1.423 -10.730 11.069 1.00 0.00 C ATOM 459 C GLU A 29 0.599 -11.849 10.406 1.00 0.00 C ATOM 460 O GLU A 29 1.119 -12.944 10.140 1.00 0.00 O ATOM 461 CB GLU A 29 1.103 -10.685 12.593 1.00 0.00 C ATOM 462 CG GLU A 29 1.910 -9.666 13.426 1.00 0.00 C ATOM 463 CD GLU A 29 3.408 -9.981 13.556 1.00 0.00 C ATOM 464 OE1 GLU A 29 4.193 -9.590 12.668 1.00 0.00 O ATOM 465 OE2 GLU A 29 3.814 -10.610 14.561 1.00 0.00 O ATOM 0 H GLU A 29 0.720 -8.748 11.082 1.00 0.00 H new ATOM 0 HA GLU A 29 2.482 -10.946 10.927 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.042 -10.465 12.715 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.272 -11.678 13.009 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.798 -8.680 12.975 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.477 -9.610 14.425 1.00 0.00 H new ATOM 472 N GLU A 30 -0.696 -11.561 10.162 1.00 0.00 N ATOM 473 CA GLU A 30 -1.633 -12.522 9.542 1.00 0.00 C ATOM 474 C GLU A 30 -1.297 -12.776 8.052 1.00 0.00 C ATOM 475 O GLU A 30 -1.395 -13.918 7.589 1.00 0.00 O ATOM 476 CB GLU A 30 -3.111 -12.053 9.727 1.00 0.00 C ATOM 477 CG GLU A 30 -3.381 -10.587 9.364 1.00 0.00 C ATOM 478 CD GLU A 30 -4.855 -10.160 9.510 1.00 0.00 C ATOM 479 OE1 GLU A 30 -5.385 -10.206 10.645 1.00 0.00 O ATOM 480 OE2 GLU A 30 -5.489 -9.775 8.496 1.00 0.00 O ATOM 0 H GLU A 30 -1.120 -10.661 10.387 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.517 -13.476 10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.755 -12.686 9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.399 -12.212 10.766 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.765 -9.948 9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.065 -10.415 8.335 1.00 0.00 H new ATOM 487 N LEU A 31 -0.887 -11.711 7.323 1.00 0.00 N ATOM 488 CA LEU A 31 -0.479 -11.802 5.893 1.00 0.00 C ATOM 489 C LEU A 31 0.042 -10.446 5.381 1.00 0.00 C ATOM 490 O LEU A 31 -0.238 -9.419 5.981 1.00 0.00 O ATOM 491 CB LEU A 31 -1.638 -12.354 4.977 1.00 0.00 C ATOM 492 CG LEU A 31 -2.891 -11.457 4.619 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.420 -10.617 5.797 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.640 -10.587 3.380 1.00 0.00 C ATOM 0 H LEU A 31 -0.828 -10.767 7.704 1.00 0.00 H new ATOM 0 HA LEU A 31 0.337 -12.522 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.183 -12.657 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.018 -13.258 5.453 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.685 -12.164 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.279 -10.031 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.721 -11.279 6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.635 -9.946 6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.526 -9.988 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.791 -9.928 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.424 -11.226 2.524 1.00 0.00 H new ATOM 506 N HIS A 32 0.805 -10.467 4.269 1.00 0.00 N ATOM 507 CA HIS A 32 1.219 -9.239 3.532 1.00 0.00 C ATOM 508 C HIS A 32 1.962 -9.641 2.242 1.00 0.00 C ATOM 509 O HIS A 32 2.212 -10.820 2.019 1.00 0.00 O ATOM 510 CB HIS A 32 2.120 -8.313 4.411 1.00 0.00 C ATOM 511 CG HIS A 32 3.484 -8.878 4.686 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.685 -10.083 5.319 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.717 -8.427 4.351 1.00 0.00 C ATOM 514 CE1 HIS A 32 4.974 -10.342 5.348 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.616 -9.358 4.776 1.00 0.00 N ATOM 0 H HIS A 32 1.155 -11.330 3.852 1.00 0.00 H new ATOM 0 HA HIS A 32 0.322 -8.674 3.279 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.230 -7.350 3.913 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.616 -8.126 5.359 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.945 -7.502 3.842 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.428 -11.224 5.775 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.628 -9.297 4.665 1.00 0.00 H new ATOM 524 N LEU A 33 2.305 -8.650 1.402 1.00 0.00 N ATOM 525 CA LEU A 33 3.118 -8.866 0.180 1.00 0.00 C ATOM 526 C LEU A 33 4.619 -8.920 0.521 1.00 0.00 C ATOM 527 O LEU A 33 5.063 -8.196 1.407 1.00 0.00 O ATOM 528 CB LEU A 33 2.853 -7.721 -0.827 1.00 0.00 C ATOM 529 CG LEU A 33 1.460 -7.742 -1.503 1.00 0.00 C ATOM 530 CD1 LEU A 33 1.128 -6.367 -2.104 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.373 -8.864 -2.575 1.00 0.00 C ATOM 0 H LEU A 33 2.031 -7.678 1.545 1.00 0.00 H new ATOM 0 HA LEU A 33 2.832 -9.820 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.973 -6.769 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.616 -7.759 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 33 0.715 -7.963 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.145 -6.403 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.125 -5.616 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.878 -6.106 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.384 -8.854 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.129 -8.694 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.545 -9.832 -2.104 1.00 0.00 H new ATOM 543 N PRO A 34 5.436 -9.734 -0.224 1.00 0.00 N ATOM 544 CA PRO A 34 6.896 -9.837 0.018 1.00 0.00 C ATOM 545 C PRO A 34 7.660 -8.558 -0.426 1.00 0.00 C ATOM 546 O PRO A 34 8.846 -8.396 -0.121 1.00 0.00 O ATOM 547 CB PRO A 34 7.291 -11.087 -0.813 1.00 0.00 C ATOM 548 CG PRO A 34 6.307 -11.117 -1.944 1.00 0.00 C ATOM 549 CD PRO A 34 5.005 -10.602 -1.362 1.00 0.00 C ATOM 0 HA PRO A 34 7.151 -9.930 1.074 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.315 -11.011 -1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.234 -11.996 -0.214 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.641 -10.492 -2.772 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.189 -12.128 -2.335 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.433 -10.039 -2.099 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.369 -11.419 -1.022 1.00 0.00 H new ATOM 557 N ASN A 35 6.950 -7.651 -1.134 1.00 0.00 N ATOM 558 CA ASN A 35 7.491 -6.350 -1.598 1.00 0.00 C ATOM 559 C ASN A 35 6.891 -5.174 -0.789 1.00 0.00 C ATOM 560 O ASN A 35 7.128 -4.002 -1.131 1.00 0.00 O ATOM 561 CB ASN A 35 7.178 -6.165 -3.113 1.00 0.00 C ATOM 562 CG ASN A 35 7.783 -7.267 -3.989 1.00 0.00 C ATOM 563 OD1 ASN A 35 8.910 -7.149 -4.471 1.00 0.00 O ATOM 564 ND2 ASN A 35 7.043 -8.351 -4.189 1.00 0.00 N ATOM 0 H ASN A 35 5.977 -7.801 -1.402 1.00 0.00 H new ATOM 0 HA ASN A 35 8.570 -6.351 -1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.097 -6.148 -3.255 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.558 -5.198 -3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.404 -9.118 -4.756 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.113 -8.417 -3.775 1.00 0.00 H new ATOM 571 N ALA A 36 6.123 -5.496 0.286 1.00 0.00 N ATOM 572 CA ALA A 36 5.386 -4.497 1.092 1.00 0.00 C ATOM 573 C ALA A 36 6.128 -4.145 2.396 1.00 0.00 C ATOM 574 O ALA A 36 6.481 -5.036 3.178 1.00 0.00 O ATOM 575 CB ALA A 36 3.970 -4.998 1.413 1.00 0.00 C ATOM 0 H ALA A 36 6.000 -6.454 0.614 1.00 0.00 H new ATOM 0 HA ALA A 36 5.318 -3.589 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.445 -4.249 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.426 -5.172 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.032 -5.929 1.977 1.00 0.00 H new ATOM 581 N THR A 37 6.334 -2.832 2.612 1.00 0.00 N ATOM 582 CA THR A 37 6.945 -2.277 3.828 1.00 0.00 C ATOM 583 C THR A 37 5.868 -2.083 4.914 1.00 0.00 C ATOM 584 O THR A 37 4.808 -1.520 4.631 1.00 0.00 O ATOM 585 CB THR A 37 7.611 -0.900 3.498 1.00 0.00 C ATOM 586 OG1 THR A 37 8.556 -1.071 2.430 1.00 0.00 O ATOM 587 CG2 THR A 37 8.315 -0.262 4.715 1.00 0.00 C ATOM 0 H THR A 37 6.075 -2.117 1.932 1.00 0.00 H new ATOM 0 HA THR A 37 7.703 -2.969 4.196 1.00 0.00 H new ATOM 0 HB THR A 37 6.812 -0.220 3.201 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.832 -0.193 2.094 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.757 0.690 4.422 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.588 -0.095 5.510 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.098 -0.930 5.074 1.00 0.00 H new ATOM 595 N LEU A 38 6.133 -2.558 6.148 1.00 0.00 N ATOM 596 CA LEU A 38 5.204 -2.388 7.285 1.00 0.00 C ATOM 597 C LEU A 38 5.209 -0.907 7.724 1.00 0.00 C ATOM 598 O LEU A 38 6.143 -0.446 8.400 1.00 0.00 O ATOM 599 CB LEU A 38 5.606 -3.307 8.490 1.00 0.00 C ATOM 600 CG LEU A 38 4.487 -3.721 9.528 1.00 0.00 C ATOM 601 CD1 LEU A 38 5.112 -4.403 10.766 1.00 0.00 C ATOM 602 CD2 LEU A 38 3.551 -2.567 9.966 1.00 0.00 C ATOM 0 H LEU A 38 6.986 -3.065 6.384 1.00 0.00 H new ATOM 0 HA LEU A 38 4.203 -2.678 6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.034 -4.222 8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.400 -2.803 9.041 1.00 0.00 H new ATOM 0 HG LEU A 38 3.852 -4.428 8.994 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.324 -4.679 11.466 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.651 -5.298 10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.803 -3.714 11.251 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.817 -2.944 10.678 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.140 -1.779 10.436 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.037 -2.164 9.093 1.00 0.00 H new ATOM 614 N ILE A 39 4.180 -0.166 7.298 1.00 0.00 N ATOM 615 CA ILE A 39 3.867 1.170 7.828 1.00 0.00 C ATOM 616 C ILE A 39 2.360 1.220 8.092 1.00 0.00 C ATOM 617 O ILE A 39 1.552 0.888 7.226 1.00 0.00 O ATOM 618 CB ILE A 39 4.286 2.337 6.849 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.824 2.309 6.570 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.863 3.718 7.417 1.00 0.00 C ATOM 621 CD1 ILE A 39 6.319 3.313 5.542 1.00 0.00 C ATOM 0 H ILE A 39 3.535 -0.477 6.571 1.00 0.00 H new ATOM 0 HA ILE A 39 4.440 1.325 8.742 1.00 0.00 H new ATOM 0 HB ILE A 39 3.764 2.181 5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.349 2.486 7.508 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.097 1.308 6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.163 4.504 6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.781 3.742 7.547 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.347 3.879 8.380 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.398 3.210 5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.829 3.127 4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.086 4.323 5.878 1.00 0.00 H new ATOM 633 N SER A 40 1.979 1.632 9.287 1.00 0.00 N ATOM 634 CA SER A 40 0.562 1.766 9.627 1.00 0.00 C ATOM 635 C SER A 40 0.019 3.050 8.986 1.00 0.00 C ATOM 636 O SER A 40 0.736 4.052 8.899 1.00 0.00 O ATOM 637 CB SER A 40 0.367 1.775 11.154 1.00 0.00 C ATOM 638 OG SER A 40 0.906 0.599 11.743 1.00 0.00 O ATOM 0 H SER A 40 2.622 1.880 10.039 1.00 0.00 H new ATOM 0 HA SER A 40 0.007 0.912 9.238 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.850 2.654 11.581 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.695 1.850 11.388 1.00 0.00 H new ATOM 0 HG SER A 40 0.772 0.628 12.713 1.00 0.00 H new ATOM 644 N VAL A 41 -1.231 2.987 8.488 1.00 0.00 N ATOM 645 CA VAL A 41 -1.979 4.162 7.988 1.00 0.00 C ATOM 646 C VAL A 41 -1.957 5.343 9.004 1.00 0.00 C ATOM 647 O VAL A 41 -2.000 6.509 8.611 1.00 0.00 O ATOM 648 CB VAL A 41 -3.465 3.748 7.646 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.214 3.245 8.907 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.237 4.893 6.933 1.00 0.00 C ATOM 0 H VAL A 41 -1.755 2.115 8.420 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.485 4.511 7.081 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.417 2.917 6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.233 2.968 8.638 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.697 2.376 9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.239 4.037 9.656 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.254 4.566 6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.268 5.769 7.581 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.731 5.148 6.002 1.00 0.00 H new ATOM 660 N ASN A 42 -1.840 5.002 10.307 1.00 0.00 N ATOM 661 CA ASN A 42 -1.790 5.970 11.422 1.00 0.00 C ATOM 662 C ASN A 42 -0.449 6.736 11.456 1.00 0.00 C ATOM 663 O ASN A 42 -0.405 7.897 11.870 1.00 0.00 O ATOM 664 CB ASN A 42 -2.001 5.236 12.775 1.00 0.00 C ATOM 665 CG ASN A 42 -3.255 4.357 12.785 1.00 0.00 C ATOM 666 OD1 ASN A 42 -4.354 4.826 13.078 1.00 0.00 O ATOM 667 ND2 ASN A 42 -3.098 3.076 12.471 1.00 0.00 N ATOM 0 H ASN A 42 -1.777 4.032 10.616 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.590 6.693 11.264 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.128 4.618 12.988 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.073 5.973 13.575 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.903 2.449 12.468 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.173 2.719 12.233 1.00 0.00 H new ATOM 674 N ASP A 43 0.641 6.057 11.034 1.00 0.00 N ATOM 675 CA ASP A 43 2.000 6.632 11.009 1.00 0.00 C ATOM 676 C ASP A 43 2.165 7.583 9.815 1.00 0.00 C ATOM 677 O ASP A 43 2.580 7.170 8.725 1.00 0.00 O ATOM 678 CB ASP A 43 3.090 5.519 10.968 1.00 0.00 C ATOM 679 CG ASP A 43 3.257 4.774 12.300 1.00 0.00 C ATOM 680 OD1 ASP A 43 3.856 5.345 13.234 1.00 0.00 O ATOM 681 OD2 ASP A 43 2.778 3.625 12.432 1.00 0.00 O ATOM 0 H ASP A 43 0.601 5.094 10.701 1.00 0.00 H new ATOM 0 HA ASP A 43 2.133 7.199 11.930 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.835 4.801 10.189 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.044 5.966 10.689 1.00 0.00 H new ATOM 686 N GLN A 44 1.796 8.856 10.028 1.00 0.00 N ATOM 687 CA GLN A 44 2.097 9.934 9.078 1.00 0.00 C ATOM 688 C GLN A 44 3.606 10.216 9.083 1.00 0.00 C ATOM 689 O GLN A 44 4.185 10.475 8.036 1.00 0.00 O ATOM 690 CB GLN A 44 1.295 11.243 9.390 1.00 0.00 C ATOM 691 CG GLN A 44 -0.161 11.268 8.869 1.00 0.00 C ATOM 692 CD GLN A 44 -1.091 10.282 9.571 1.00 0.00 C ATOM 693 OE1 GLN A 44 -1.730 10.614 10.567 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.186 9.071 9.054 1.00 0.00 N ATOM 0 H GLN A 44 1.286 9.163 10.856 1.00 0.00 H new ATOM 0 HA GLN A 44 1.787 9.602 8.087 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.279 11.391 10.470 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.831 12.089 8.960 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.561 12.275 8.987 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.157 11.050 7.801 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.643 8.826 8.226 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.803 8.381 9.482 1.00 0.00 H new ATOM 703 N GLU A 45 4.227 10.144 10.277 1.00 0.00 N ATOM 704 CA GLU A 45 5.668 10.417 10.453 1.00 0.00 C ATOM 705 C GLU A 45 6.544 9.419 9.659 1.00 0.00 C ATOM 706 O GLU A 45 7.483 9.822 8.970 1.00 0.00 O ATOM 707 CB GLU A 45 6.045 10.409 11.966 1.00 0.00 C ATOM 708 CG GLU A 45 5.693 9.112 12.728 1.00 0.00 C ATOM 709 CD GLU A 45 6.257 9.085 14.158 1.00 0.00 C ATOM 710 OE1 GLU A 45 7.406 8.621 14.339 1.00 0.00 O ATOM 711 OE2 GLU A 45 5.581 9.561 15.095 1.00 0.00 O ATOM 0 H GLU A 45 3.747 9.896 11.142 1.00 0.00 H new ATOM 0 HA GLU A 45 5.867 11.410 10.051 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.117 10.585 12.057 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.542 11.245 12.453 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.609 9.003 12.768 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.079 8.256 12.175 1.00 0.00 H new ATOM 718 N LYS A 46 6.191 8.124 9.731 1.00 0.00 N ATOM 719 CA LYS A 46 6.976 7.031 9.119 1.00 0.00 C ATOM 720 C LYS A 46 6.707 6.938 7.610 1.00 0.00 C ATOM 721 O LYS A 46 7.639 6.742 6.816 1.00 0.00 O ATOM 722 CB LYS A 46 6.657 5.684 9.828 1.00 0.00 C ATOM 723 CG LYS A 46 7.429 4.421 9.334 1.00 0.00 C ATOM 724 CD LYS A 46 8.970 4.454 9.588 1.00 0.00 C ATOM 725 CE LYS A 46 9.783 5.095 8.447 1.00 0.00 C ATOM 726 NZ LYS A 46 11.238 5.143 8.748 1.00 0.00 N ATOM 0 H LYS A 46 5.353 7.802 10.215 1.00 0.00 H new ATOM 0 HA LYS A 46 8.036 7.249 9.250 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.855 5.807 10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.589 5.491 9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.013 3.542 9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.254 4.300 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.164 5.002 10.510 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.324 3.435 9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.623 4.531 7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.418 6.106 8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.667 5.956 8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.377 5.241 9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.690 4.265 8.420 1.00 0.00 H new ATOM 740 N LEU A 47 5.434 7.084 7.219 1.00 0.00 N ATOM 741 CA LEU A 47 5.024 6.998 5.806 1.00 0.00 C ATOM 742 C LEU A 47 5.641 8.141 4.986 1.00 0.00 C ATOM 743 O LEU A 47 6.233 7.914 3.927 1.00 0.00 O ATOM 744 CB LEU A 47 3.489 7.030 5.699 1.00 0.00 C ATOM 745 CG LEU A 47 2.891 6.748 4.288 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.295 5.347 3.768 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.361 6.913 4.310 1.00 0.00 C ATOM 0 H LEU A 47 4.664 7.263 7.864 1.00 0.00 H new ATOM 0 HA LEU A 47 5.388 6.055 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.082 6.298 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.143 8.010 6.028 1.00 0.00 H new ATOM 0 HG LEU A 47 3.306 7.480 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.860 5.186 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.381 5.283 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.929 4.584 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.959 6.713 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.930 6.212 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.109 7.932 4.604 1.00 0.00 H new ATOM 759 N ALA A 48 5.516 9.366 5.525 1.00 0.00 N ATOM 760 CA ALA A 48 6.045 10.584 4.898 1.00 0.00 C ATOM 761 C ALA A 48 7.575 10.559 4.849 1.00 0.00 C ATOM 762 O ALA A 48 8.158 11.038 3.885 1.00 0.00 O ATOM 763 CB ALA A 48 5.549 11.819 5.645 1.00 0.00 C ATOM 0 H ALA A 48 5.042 9.537 6.412 1.00 0.00 H new ATOM 0 HA ALA A 48 5.680 10.626 3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.948 12.716 5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.460 11.848 5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.885 11.777 6.681 1.00 0.00 H new ATOM 769 N ASP A 49 8.205 9.988 5.902 1.00 0.00 N ATOM 770 CA ASP A 49 9.669 9.780 5.953 1.00 0.00 C ATOM 771 C ASP A 49 10.130 8.917 4.769 1.00 0.00 C ATOM 772 O ASP A 49 11.030 9.309 4.031 1.00 0.00 O ATOM 773 CB ASP A 49 10.085 9.108 7.290 1.00 0.00 C ATOM 774 CG ASP A 49 11.588 8.762 7.368 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.406 9.680 7.570 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.958 7.572 7.218 1.00 0.00 O ATOM 0 H ASP A 49 7.715 9.661 6.735 1.00 0.00 H new ATOM 0 HA ASP A 49 10.151 10.756 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.831 9.773 8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.504 8.196 7.425 1.00 0.00 H new ATOM 781 N PHE A 50 9.463 7.764 4.594 1.00 0.00 N ATOM 782 CA PHE A 50 9.767 6.779 3.531 1.00 0.00 C ATOM 783 C PHE A 50 9.661 7.424 2.130 1.00 0.00 C ATOM 784 O PHE A 50 10.437 7.112 1.216 1.00 0.00 O ATOM 785 CB PHE A 50 8.791 5.577 3.662 1.00 0.00 C ATOM 786 CG PHE A 50 9.111 4.377 2.761 1.00 0.00 C ATOM 787 CD1 PHE A 50 10.089 3.451 3.134 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.439 4.173 1.553 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.379 2.361 2.336 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.733 3.081 0.754 1.00 0.00 C ATOM 791 CZ PHE A 50 9.704 2.178 1.145 1.00 0.00 C ATOM 0 H PHE A 50 8.687 7.482 5.192 1.00 0.00 H new ATOM 0 HA PHE A 50 10.792 6.428 3.649 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.789 5.242 4.699 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.782 5.922 3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.626 3.590 4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.681 4.875 1.239 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.133 1.652 2.644 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.203 2.935 -0.176 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.935 1.329 0.519 1.00 0.00 H new ATOM 801 N LEU A 51 8.695 8.344 1.994 1.00 0.00 N ATOM 802 CA LEU A 51 8.466 9.093 0.751 1.00 0.00 C ATOM 803 C LEU A 51 9.464 10.264 0.595 1.00 0.00 C ATOM 804 O LEU A 51 9.786 10.649 -0.525 1.00 0.00 O ATOM 805 CB LEU A 51 7.006 9.606 0.706 1.00 0.00 C ATOM 806 CG LEU A 51 5.901 8.505 0.799 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.501 9.126 0.826 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.019 7.469 -0.339 1.00 0.00 C ATOM 0 H LEU A 51 8.050 8.590 2.745 1.00 0.00 H new ATOM 0 HA LEU A 51 8.632 8.416 -0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.862 10.310 1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.863 10.161 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 51 6.058 7.976 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.753 8.335 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.411 9.783 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.341 9.703 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.231 6.723 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.918 7.972 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.992 6.980 -0.286 1.00 0.00 H new ATOM 820 N SER A 52 9.945 10.801 1.730 1.00 0.00 N ATOM 821 CA SER A 52 10.901 11.930 1.770 1.00 0.00 C ATOM 822 C SER A 52 12.335 11.461 1.454 1.00 0.00 C ATOM 823 O SER A 52 13.177 12.265 1.047 1.00 0.00 O ATOM 824 CB SER A 52 10.857 12.619 3.154 1.00 0.00 C ATOM 825 OG SER A 52 11.712 13.753 3.212 1.00 0.00 O ATOM 0 H SER A 52 9.681 10.463 2.655 1.00 0.00 H new ATOM 0 HA SER A 52 10.606 12.648 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.834 12.925 3.374 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.149 11.905 3.924 1.00 0.00 H new ATOM 0 HG SER A 52 11.655 14.161 4.101 1.00 0.00 H new ATOM 831 N GLN A 53 12.589 10.144 1.614 1.00 0.00 N ATOM 832 CA GLN A 53 13.923 9.534 1.381 1.00 0.00 C ATOM 833 C GLN A 53 14.333 9.535 -0.112 1.00 0.00 C ATOM 834 O GLN A 53 15.461 9.155 -0.442 1.00 0.00 O ATOM 835 CB GLN A 53 13.960 8.088 1.956 1.00 0.00 C ATOM 836 CG GLN A 53 13.828 7.998 3.496 1.00 0.00 C ATOM 837 CD GLN A 53 14.906 8.777 4.276 1.00 0.00 C ATOM 838 OE1 GLN A 53 16.050 8.913 3.838 1.00 0.00 O ATOM 839 NE2 GLN A 53 14.543 9.297 5.438 1.00 0.00 N ATOM 0 H GLN A 53 11.879 9.473 1.907 1.00 0.00 H new ATOM 0 HA GLN A 53 14.652 10.153 1.905 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.154 7.511 1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.897 7.617 1.658 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.846 8.372 3.786 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.870 6.950 3.791 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.590 9.170 5.778 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.217 9.825 5.993 1.00 0.00 H new ATOM 848 N HIS A 54 13.419 9.970 -1.003 1.00 0.00 N ATOM 849 CA HIS A 54 13.669 10.027 -2.456 1.00 0.00 C ATOM 850 C HIS A 54 12.746 11.061 -3.116 1.00 0.00 C ATOM 851 O HIS A 54 13.212 11.926 -3.864 1.00 0.00 O ATOM 852 CB HIS A 54 13.473 8.604 -3.109 1.00 0.00 C ATOM 853 CG HIS A 54 14.729 7.965 -3.635 1.00 0.00 C ATOM 854 ND1 HIS A 54 15.687 7.415 -2.818 1.00 0.00 N ATOM 855 CD2 HIS A 54 15.177 7.783 -4.902 1.00 0.00 C ATOM 856 CE1 HIS A 54 16.664 6.925 -3.548 1.00 0.00 C ATOM 857 NE2 HIS A 54 16.380 7.138 -4.816 1.00 0.00 N ATOM 0 H HIS A 54 12.489 10.291 -0.735 1.00 0.00 H new ATOM 0 HA HIS A 54 14.702 10.335 -2.619 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.029 7.939 -2.368 1.00 0.00 H new ATOM 0 HB3 HIS A 54 12.758 8.692 -3.927 1.00 0.00 H new ATOM 0 HD1 HIS A 54 15.646 7.391 -1.799 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.677 8.090 -5.809 1.00 0.00 H new ATOM 0 HE1 HIS A 54 17.548 6.432 -3.172 1.00 0.00 H new ATOM 866 N LYS A 55 11.436 10.928 -2.821 1.00 0.00 N ATOM 867 CA LYS A 55 10.316 11.650 -3.477 1.00 0.00 C ATOM 868 C LYS A 55 10.083 11.143 -4.914 1.00 0.00 C ATOM 869 O LYS A 55 8.982 10.674 -5.246 1.00 0.00 O ATOM 870 CB LYS A 55 10.457 13.197 -3.431 1.00 0.00 C ATOM 871 CG LYS A 55 10.205 13.834 -2.047 1.00 0.00 C ATOM 872 CD LYS A 55 10.061 15.373 -2.133 1.00 0.00 C ATOM 873 CE LYS A 55 8.897 15.803 -3.041 1.00 0.00 C ATOM 874 NZ LYS A 55 8.819 17.275 -3.203 1.00 0.00 N ATOM 0 H LYS A 55 11.113 10.292 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 55 9.429 11.419 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.461 13.465 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.760 13.632 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.300 13.409 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.028 13.584 -1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.906 15.777 -1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.990 15.802 -2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.013 15.338 -4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.959 15.436 -2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.019 17.514 -3.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.681 17.720 -2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.702 17.625 -3.627 1.00 0.00 H new ATOM 888 N ASP A 56 11.128 11.218 -5.743 1.00 0.00 N ATOM 889 CA ASP A 56 11.112 10.696 -7.110 1.00 0.00 C ATOM 890 C ASP A 56 11.361 9.167 -7.086 1.00 0.00 C ATOM 891 O ASP A 56 12.495 8.695 -7.248 1.00 0.00 O ATOM 892 CB ASP A 56 12.167 11.439 -7.978 1.00 0.00 C ATOM 893 CG ASP A 56 12.059 11.091 -9.475 1.00 0.00 C ATOM 894 OD1 ASP A 56 11.188 11.665 -10.165 1.00 0.00 O ATOM 895 OD2 ASP A 56 12.822 10.230 -9.963 1.00 0.00 O ATOM 0 H ASP A 56 12.016 11.647 -5.481 1.00 0.00 H new ATOM 0 HA ASP A 56 10.135 10.871 -7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.044 12.514 -7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.166 11.187 -7.622 1.00 0.00 H new ATOM 900 N LYS A 57 10.292 8.428 -6.751 1.00 0.00 N ATOM 901 CA LYS A 57 10.244 6.950 -6.768 1.00 0.00 C ATOM 902 C LYS A 57 8.757 6.517 -6.821 1.00 0.00 C ATOM 903 O LYS A 57 7.868 7.236 -6.329 1.00 0.00 O ATOM 904 CB LYS A 57 10.970 6.324 -5.523 1.00 0.00 C ATOM 905 CG LYS A 57 10.198 6.409 -4.183 1.00 0.00 C ATOM 906 CD LYS A 57 9.979 7.858 -3.690 1.00 0.00 C ATOM 907 CE LYS A 57 8.789 8.022 -2.745 1.00 0.00 C ATOM 908 NZ LYS A 57 7.496 7.875 -3.469 1.00 0.00 N ATOM 0 H LYS A 57 9.412 8.849 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 57 10.775 6.583 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.178 5.275 -5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.932 6.821 -5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.230 5.923 -4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.745 5.853 -3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.882 8.198 -3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.835 8.507 -4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.849 7.279 -1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.832 9.002 -2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.996 8.787 -3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.678 7.573 -4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.909 7.162 -2.991 1.00 0.00 H new ATOM 922 N LYS A 58 8.499 5.337 -7.380 1.00 0.00 N ATOM 923 CA LYS A 58 7.138 4.836 -7.614 1.00 0.00 C ATOM 924 C LYS A 58 6.697 3.946 -6.435 1.00 0.00 C ATOM 925 O LYS A 58 7.056 2.774 -6.382 1.00 0.00 O ATOM 926 CB LYS A 58 7.125 4.067 -8.946 1.00 0.00 C ATOM 927 CG LYS A 58 5.725 3.823 -9.524 1.00 0.00 C ATOM 928 CD LYS A 58 5.776 3.471 -11.019 1.00 0.00 C ATOM 929 CE LYS A 58 6.695 2.273 -11.327 1.00 0.00 C ATOM 930 NZ LYS A 58 6.685 1.914 -12.768 1.00 0.00 N ATOM 0 H LYS A 58 9.229 4.694 -7.687 1.00 0.00 H new ATOM 0 HA LYS A 58 6.429 5.662 -7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.715 4.620 -9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.618 3.105 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.242 3.013 -8.977 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.113 4.714 -9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.768 3.247 -11.368 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.122 4.340 -11.579 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.714 2.511 -11.021 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.377 1.413 -10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.587 1.462 -13.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.903 1.255 -12.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.558 2.774 -13.339 1.00 0.00 H new ATOM 944 N VAL A 59 5.961 4.528 -5.465 1.00 0.00 N ATOM 945 CA VAL A 59 5.488 3.792 -4.266 1.00 0.00 C ATOM 946 C VAL A 59 3.972 3.545 -4.348 1.00 0.00 C ATOM 947 O VAL A 59 3.204 4.451 -4.683 1.00 0.00 O ATOM 948 CB VAL A 59 5.860 4.545 -2.929 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.233 3.879 -1.678 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.394 4.632 -2.766 1.00 0.00 C ATOM 0 H VAL A 59 5.679 5.508 -5.486 1.00 0.00 H new ATOM 0 HA VAL A 59 5.999 2.829 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 59 5.444 5.549 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.520 4.436 -0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.147 3.879 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.590 2.852 -1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.632 5.154 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.814 3.627 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.819 5.177 -3.609 1.00 0.00 H new ATOM 960 N LEU A 60 3.579 2.303 -4.022 1.00 0.00 N ATOM 961 CA LEU A 60 2.186 1.830 -4.047 1.00 0.00 C ATOM 962 C LEU A 60 1.762 1.454 -2.609 1.00 0.00 C ATOM 963 O LEU A 60 2.351 0.566 -2.003 1.00 0.00 O ATOM 964 CB LEU A 60 2.106 0.620 -5.044 1.00 0.00 C ATOM 965 CG LEU A 60 0.723 -0.093 -5.280 1.00 0.00 C ATOM 966 CD1 LEU A 60 0.396 -1.118 -4.170 1.00 0.00 C ATOM 967 CD2 LEU A 60 -0.402 0.939 -5.463 1.00 0.00 C ATOM 0 H LEU A 60 4.238 1.582 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 60 1.496 2.599 -4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.464 0.969 -6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.810 -0.137 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 60 0.803 -0.663 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.568 -1.583 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.171 -1.884 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.354 -0.610 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.348 0.422 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.476 1.559 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.181 1.569 -6.325 1.00 0.00 H new ATOM 979 N LEU A 61 0.727 2.128 -2.078 1.00 0.00 N ATOM 980 CA LEU A 61 0.214 1.886 -0.710 1.00 0.00 C ATOM 981 C LEU A 61 -0.999 0.933 -0.773 1.00 0.00 C ATOM 982 O LEU A 61 -2.106 1.368 -1.077 1.00 0.00 O ATOM 983 CB LEU A 61 -0.193 3.244 -0.051 1.00 0.00 C ATOM 984 CG LEU A 61 0.858 4.401 -0.104 1.00 0.00 C ATOM 985 CD1 LEU A 61 0.347 5.657 0.645 1.00 0.00 C ATOM 986 CD2 LEU A 61 2.227 3.952 0.442 1.00 0.00 C ATOM 0 H LEU A 61 0.220 2.856 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 61 0.994 1.424 -0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.107 3.594 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.436 3.054 0.995 1.00 0.00 H new ATOM 0 HG LEU A 61 0.994 4.666 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.099 6.444 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.577 6.005 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.159 5.407 1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.930 4.783 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.119 3.634 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.602 3.121 -0.155 1.00 0.00 H new ATOM 998 N HIS A 62 -0.800 -0.372 -0.501 1.00 0.00 N ATOM 999 CA HIS A 62 -1.898 -1.365 -0.622 1.00 0.00 C ATOM 1000 C HIS A 62 -2.645 -1.533 0.720 1.00 0.00 C ATOM 1001 O HIS A 62 -2.024 -1.574 1.794 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.382 -2.738 -1.154 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.806 -3.675 -0.119 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.520 -4.726 0.417 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.411 -3.732 0.459 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -0.765 -5.377 1.267 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.415 -4.803 1.314 1.00 0.00 N ATOM 0 H HIS A 62 0.093 -0.763 -0.201 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.605 -0.979 -1.356 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.207 -3.245 -1.655 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.619 -2.549 -1.909 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.486 -4.960 0.187 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.234 -3.056 0.280 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.064 -6.245 1.836 1.00 0.00 H new ATOM 1016 N CYS A 63 -3.980 -1.649 0.632 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.883 -1.829 1.801 1.00 0.00 C ATOM 1018 C CYS A 63 -5.631 -3.171 1.716 1.00 0.00 C ATOM 1019 O CYS A 63 -5.711 -3.765 0.634 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.869 -0.658 1.872 1.00 0.00 C ATOM 1021 SG CYS A 63 -7.160 -0.791 3.122 1.00 0.00 S ATOM 0 H CYS A 63 -4.477 -1.621 -0.258 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.284 -1.844 2.712 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.305 0.256 2.056 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.344 -0.549 0.897 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.625 -1.091 4.268 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.115 -3.667 2.890 1.00 0.00 N ATOM 1028 CA ARG A 64 -6.895 -4.925 2.980 1.00 0.00 C ATOM 1029 C ARG A 64 -8.133 -4.907 2.065 1.00 0.00 C ATOM 1030 O ARG A 64 -8.464 -5.912 1.435 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.303 -5.256 4.447 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.077 -6.592 4.585 1.00 0.00 C ATOM 1033 CD ARG A 64 -7.927 -7.247 5.959 1.00 0.00 C ATOM 1034 NE ARG A 64 -8.700 -6.586 7.017 1.00 0.00 N ATOM 1035 CZ ARG A 64 -8.833 -7.063 8.265 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -8.170 -8.141 8.660 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -9.616 -6.436 9.131 1.00 0.00 N ATOM 0 H ARG A 64 -5.974 -3.207 3.790 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.234 -5.718 2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.406 -5.299 5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.919 -4.446 4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.134 -6.411 4.391 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.727 -7.286 3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.239 -8.289 5.891 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.873 -7.248 6.238 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.166 -5.708 6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.546 -8.622 8.012 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.283 -8.489 9.612 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.116 -5.593 8.849 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.719 -6.796 10.080 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.818 -3.762 2.031 1.00 0.00 N ATOM 1052 CA ALA A 65 -9.924 -3.515 1.082 1.00 0.00 C ATOM 1053 C ALA A 65 -9.581 -2.332 0.157 1.00 0.00 C ATOM 1054 O ALA A 65 -9.498 -2.506 -1.062 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.235 -3.276 1.839 1.00 0.00 C ATOM 0 H ALA A 65 -8.628 -2.978 2.655 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.059 -4.398 0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.039 -3.096 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.473 -4.153 2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.126 -2.409 2.490 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.361 -1.127 0.729 1.00 0.00 N ATOM 1062 CA GLY A 66 -9.042 0.047 -0.095 1.00 0.00 C ATOM 1063 C GLY A 66 -9.032 1.374 0.650 1.00 0.00 C ATOM 1064 O GLY A 66 -8.428 2.340 0.160 1.00 0.00 O ATOM 0 H GLY A 66 -9.398 -0.949 1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.064 -0.103 -0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.766 0.109 -0.907 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.701 1.446 1.824 1.00 0.00 N ATOM 1069 CA ARG A 67 -9.826 2.714 2.579 1.00 0.00 C ATOM 1070 C ARG A 67 -8.462 3.227 3.063 1.00 0.00 C ATOM 1071 O ARG A 67 -8.120 4.373 2.803 1.00 0.00 O ATOM 1072 CB ARG A 67 -10.798 2.598 3.786 1.00 0.00 C ATOM 1073 CG ARG A 67 -10.843 3.860 4.694 1.00 0.00 C ATOM 1074 CD ARG A 67 -11.250 5.145 3.931 1.00 0.00 C ATOM 1075 NE ARG A 67 -10.838 6.364 4.648 1.00 0.00 N ATOM 1076 CZ ARG A 67 -10.977 7.616 4.195 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -11.569 7.865 3.032 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.508 8.625 4.908 1.00 0.00 N ATOM 0 H ARG A 67 -10.159 0.649 2.266 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.245 3.434 1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.802 2.398 3.411 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.507 1.739 4.391 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.548 3.689 5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.863 4.009 5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.798 5.137 2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.331 5.156 3.788 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.411 6.244 5.567 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.927 7.095 2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.665 8.826 2.704 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.043 8.448 5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.611 9.581 4.568 1.00 0.00 H new ATOM 1092 N ARG A 68 -7.698 2.372 3.765 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.426 2.796 4.405 1.00 0.00 C ATOM 1094 C ARG A 68 -5.378 3.187 3.344 1.00 0.00 C ATOM 1095 O ARG A 68 -4.461 3.955 3.621 1.00 0.00 O ATOM 1096 CB ARG A 68 -5.868 1.684 5.322 1.00 0.00 C ATOM 1097 CG ARG A 68 -6.888 1.091 6.314 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.560 2.131 7.236 1.00 0.00 C ATOM 1099 NE ARG A 68 -8.510 1.484 8.170 1.00 0.00 N ATOM 1100 CZ ARG A 68 -9.186 2.089 9.163 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -9.024 3.385 9.420 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -10.038 1.387 9.903 1.00 0.00 N ATOM 0 H ARG A 68 -7.931 1.389 3.907 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.641 3.672 5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.479 0.879 4.698 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.026 2.086 5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.662 0.568 5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.385 0.347 6.932 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.797 2.666 7.802 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.086 2.870 6.632 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.667 0.483 8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.377 3.939 8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.547 3.824 10.178 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.177 0.394 9.717 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.553 1.841 10.657 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.546 2.618 2.139 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.763 2.977 0.948 1.00 0.00 C ATOM 1118 C ALA A 69 -5.000 4.447 0.596 1.00 0.00 C ATOM 1119 O ALA A 69 -4.052 5.236 0.506 1.00 0.00 O ATOM 1120 CB ALA A 69 -5.152 2.059 -0.228 1.00 0.00 C ATOM 0 H ALA A 69 -6.237 1.888 1.964 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.701 2.840 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.569 2.329 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.949 1.022 0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.214 2.177 -0.446 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.292 4.787 0.424 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.743 6.150 0.128 1.00 0.00 C ATOM 1128 C LEU A 70 -6.302 7.126 1.228 1.00 0.00 C ATOM 1129 O LEU A 70 -5.542 8.039 0.953 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.291 6.173 -0.032 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.943 7.578 -0.248 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.529 8.213 -1.593 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.475 7.511 -0.121 1.00 0.00 C ATOM 0 H LEU A 70 -7.055 4.113 0.488 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.285 6.470 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.557 5.538 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.734 5.723 0.857 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.565 8.224 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.007 9.187 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.446 8.335 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.841 7.566 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.897 8.504 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.873 6.826 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.742 7.155 0.874 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.748 6.861 2.472 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.576 7.746 3.655 1.00 0.00 C ATOM 1147 C ASP A 71 -5.103 8.155 3.863 1.00 0.00 C ATOM 1148 O ASP A 71 -4.792 9.344 4.070 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.127 7.016 4.916 1.00 0.00 C ATOM 1150 CG ASP A 71 -7.117 7.874 6.201 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -8.100 8.602 6.446 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -6.131 7.817 6.972 1.00 0.00 O ATOM 0 H ASP A 71 -7.253 6.003 2.694 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.135 8.666 3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.149 6.692 4.717 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.536 6.117 5.089 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.214 7.153 3.790 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.763 7.350 3.920 1.00 0.00 C ATOM 1159 C ALA A 72 -2.227 8.241 2.786 1.00 0.00 C ATOM 1160 O ALA A 72 -1.554 9.258 3.027 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.070 5.981 3.920 1.00 0.00 C ATOM 0 H ALA A 72 -4.482 6.181 3.639 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.550 7.859 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.993 6.118 4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.436 5.388 4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.288 5.463 2.986 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.593 7.875 1.546 1.00 0.00 N ATOM 1168 CA ALA A 73 -2.158 8.584 0.339 1.00 0.00 C ATOM 1169 C ALA A 73 -2.745 10.010 0.267 1.00 0.00 C ATOM 1170 O ALA A 73 -2.124 10.880 -0.348 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.511 7.772 -0.914 1.00 0.00 C ATOM 0 H ALA A 73 -3.200 7.077 1.356 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.074 8.691 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.182 8.312 -1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.013 6.803 -0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.590 7.623 -0.959 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.934 10.249 0.896 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.565 11.589 0.909 1.00 0.00 C ATOM 1179 C LYS A 74 -3.660 12.526 1.675 1.00 0.00 C ATOM 1180 O LYS A 74 -3.185 13.497 1.106 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.997 11.621 1.532 1.00 0.00 C ATOM 1182 CG LYS A 74 -7.047 10.688 0.872 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.494 11.258 0.874 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.724 12.267 -0.268 1.00 0.00 C ATOM 1185 NZ LYS A 74 -10.068 12.908 -0.217 1.00 0.00 N ATOM 0 H LYS A 74 -4.464 9.534 1.394 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.690 11.895 -0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.919 11.358 2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.369 12.644 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.747 10.492 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.045 9.730 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.206 10.438 0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.690 11.743 1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.957 13.040 -0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.607 11.758 -1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.165 13.576 -1.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.804 12.177 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.175 13.420 0.682 1.00 0.00 H new ATOM 1199 N SER A 75 -3.359 12.136 2.935 1.00 0.00 N ATOM 1200 CA SER A 75 -2.517 12.909 3.865 1.00 0.00 C ATOM 1201 C SER A 75 -1.203 13.345 3.190 1.00 0.00 C ATOM 1202 O SER A 75 -0.826 14.503 3.256 1.00 0.00 O ATOM 1203 CB SER A 75 -2.207 12.064 5.125 1.00 0.00 C ATOM 1204 OG SER A 75 -3.387 11.509 5.686 1.00 0.00 O ATOM 0 H SER A 75 -3.701 11.263 3.336 1.00 0.00 H new ATOM 0 HA SER A 75 -3.065 13.805 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.515 11.263 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.709 12.687 5.868 1.00 0.00 H new ATOM 0 HG SER A 75 -3.660 10.725 5.165 1.00 0.00 H new ATOM 1210 N MET A 76 -0.568 12.398 2.475 1.00 0.00 N ATOM 1211 CA MET A 76 0.736 12.615 1.814 1.00 0.00 C ATOM 1212 C MET A 76 0.629 13.493 0.556 1.00 0.00 C ATOM 1213 O MET A 76 1.544 14.269 0.280 1.00 0.00 O ATOM 1214 CB MET A 76 1.407 11.255 1.521 1.00 0.00 C ATOM 1215 CG MET A 76 1.993 10.611 2.783 1.00 0.00 C ATOM 1216 SD MET A 76 0.798 10.507 4.129 1.00 0.00 S ATOM 1217 CE MET A 76 1.867 10.436 5.553 1.00 0.00 C ATOM 0 H MET A 76 -0.943 11.460 2.338 1.00 0.00 H new ATOM 0 HA MET A 76 1.370 13.175 2.501 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.675 10.580 1.077 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.199 11.394 0.786 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.351 9.610 2.542 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.857 11.188 3.113 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.559 9.613 6.198 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.895 10.277 5.228 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.801 11.374 6.104 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.474 13.374 -0.199 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.774 14.299 -1.318 1.00 0.00 C ATOM 1229 C HIS A 77 -1.038 15.740 -0.803 1.00 0.00 C ATOM 1230 O HIS A 77 -0.796 16.711 -1.528 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.954 13.774 -2.192 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.550 12.778 -3.264 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.516 13.094 -4.610 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -1.194 11.468 -3.192 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -1.157 12.034 -5.308 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.959 11.035 -4.471 1.00 0.00 N ATOM 0 H HIS A 77 -1.177 12.648 -0.060 1.00 0.00 H new ATOM 0 HA HIS A 77 0.107 14.339 -1.958 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.692 13.307 -1.540 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.442 14.624 -2.669 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.111 10.877 -2.292 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.045 11.992 -6.381 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.676 10.091 -4.733 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.517 15.856 0.454 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.699 17.155 1.133 1.00 0.00 C ATOM 1247 C GLU A 78 -0.341 17.688 1.647 1.00 0.00 C ATOM 1248 O GLU A 78 -0.119 18.904 1.673 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.713 17.013 2.303 1.00 0.00 C ATOM 1250 CG GLU A 78 -4.039 16.325 1.912 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.848 17.074 0.839 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -5.599 18.006 1.188 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -4.738 16.736 -0.365 1.00 0.00 O ATOM 0 H GLU A 78 -1.787 15.055 1.024 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.099 17.873 0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.245 16.445 3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.934 18.004 2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.821 15.320 1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.655 16.216 2.805 1.00 0.00 H new ATOM 1260 N LEU A 79 0.565 16.756 2.043 1.00 0.00 N ATOM 1261 CA LEU A 79 1.931 17.107 2.509 1.00 0.00 C ATOM 1262 C LEU A 79 2.808 17.574 1.338 1.00 0.00 C ATOM 1263 O LEU A 79 3.752 18.346 1.530 1.00 0.00 O ATOM 1264 CB LEU A 79 2.632 15.906 3.209 1.00 0.00 C ATOM 1265 CG LEU A 79 1.912 15.308 4.453 1.00 0.00 C ATOM 1266 CD1 LEU A 79 2.729 14.170 5.097 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.539 16.392 5.490 1.00 0.00 C ATOM 0 H LEU A 79 0.372 15.754 2.048 1.00 0.00 H new ATOM 0 HA LEU A 79 1.814 17.916 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.760 15.111 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.630 16.223 3.512 1.00 0.00 H new ATOM 0 HG LEU A 79 0.978 14.876 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.191 13.780 5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.875 13.371 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.699 14.553 5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.039 15.926 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.444 16.895 5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.871 17.120 5.031 1.00 0.00 H new ATOM 1279 N GLY A 80 2.486 17.082 0.128 1.00 0.00 N ATOM 1280 CA GLY A 80 3.186 17.475 -1.095 1.00 0.00 C ATOM 1281 C GLY A 80 3.664 16.294 -1.928 1.00 0.00 C ATOM 1282 O GLY A 80 4.012 16.479 -3.096 1.00 0.00 O ATOM 0 H GLY A 80 1.737 16.406 -0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.523 18.092 -1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.044 18.093 -0.830 1.00 0.00 H new ATOM 1286 N TYR A 81 3.704 15.084 -1.332 1.00 0.00 N ATOM 1287 CA TYR A 81 4.140 13.855 -2.044 1.00 0.00 C ATOM 1288 C TYR A 81 3.042 13.388 -3.016 1.00 0.00 C ATOM 1289 O TYR A 81 1.906 13.867 -2.961 1.00 0.00 O ATOM 1290 CB TYR A 81 4.458 12.710 -1.047 1.00 0.00 C ATOM 1291 CG TYR A 81 5.355 13.109 0.128 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.730 13.298 -0.032 1.00 0.00 C ATOM 1293 CD2 TYR A 81 4.817 13.284 1.405 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.526 13.644 1.041 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.614 13.632 2.470 1.00 0.00 C ATOM 1296 CZ TYR A 81 6.964 13.808 2.287 1.00 0.00 C ATOM 1297 OH TYR A 81 7.756 14.150 3.352 1.00 0.00 O ATOM 0 H TYR A 81 3.440 14.927 -0.359 1.00 0.00 H new ATOM 0 HA TYR A 81 5.047 14.097 -2.598 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.520 12.320 -0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.938 11.897 -1.591 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.176 13.172 -1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.757 13.144 1.558 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.588 13.786 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.179 13.767 3.449 1.00 0.00 H new ATOM 0 HH TYR A 81 7.204 14.227 4.158 1.00 0.00 H new ATOM 1307 N THR A 82 3.374 12.416 -3.878 1.00 0.00 N ATOM 1308 CA THR A 82 2.414 11.830 -4.833 1.00 0.00 C ATOM 1309 C THR A 82 2.545 10.279 -4.870 1.00 0.00 C ATOM 1310 O THR A 82 2.929 9.708 -5.904 1.00 0.00 O ATOM 1311 CB THR A 82 2.609 12.438 -6.277 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.001 12.378 -6.644 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.108 13.893 -6.391 1.00 0.00 C ATOM 0 H THR A 82 4.310 12.014 -3.935 1.00 0.00 H new ATOM 0 HA THR A 82 1.409 12.080 -4.492 1.00 0.00 H new ATOM 0 HB THR A 82 2.007 11.838 -6.959 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.310 11.449 -6.603 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.269 14.255 -7.406 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.044 13.931 -6.157 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.656 14.523 -5.690 1.00 0.00 H new ATOM 1321 N PRO A 83 2.263 9.551 -3.732 1.00 0.00 N ATOM 1322 CA PRO A 83 2.219 8.075 -3.746 1.00 0.00 C ATOM 1323 C PRO A 83 0.917 7.553 -4.390 1.00 0.00 C ATOM 1324 O PRO A 83 -0.136 8.207 -4.324 1.00 0.00 O ATOM 1325 CB PRO A 83 2.293 7.703 -2.244 1.00 0.00 C ATOM 1326 CG PRO A 83 1.628 8.853 -1.553 1.00 0.00 C ATOM 1327 CD PRO A 83 1.996 10.080 -2.360 1.00 0.00 C ATOM 0 HA PRO A 83 3.022 7.633 -4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.779 6.764 -2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.324 7.581 -1.913 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.547 8.717 -1.517 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.972 8.944 -0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.187 10.810 -2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.873 10.579 -1.948 1.00 0.00 H new ATOM 1335 N TYR A 84 1.019 6.388 -5.028 1.00 0.00 N ATOM 1336 CA TYR A 84 -0.137 5.633 -5.533 1.00 0.00 C ATOM 1337 C TYR A 84 -0.724 4.815 -4.382 1.00 0.00 C ATOM 1338 O TYR A 84 -0.106 4.707 -3.312 1.00 0.00 O ATOM 1339 CB TYR A 84 0.298 4.682 -6.677 1.00 0.00 C ATOM 1340 CG TYR A 84 0.999 5.369 -7.861 1.00 0.00 C ATOM 1341 CD1 TYR A 84 2.377 5.622 -7.843 1.00 0.00 C ATOM 1342 CD2 TYR A 84 0.287 5.752 -9.000 1.00 0.00 C ATOM 1343 CE1 TYR A 84 3.009 6.226 -8.915 1.00 0.00 C ATOM 1344 CE2 TYR A 84 0.917 6.358 -10.070 1.00 0.00 C ATOM 1345 CZ TYR A 84 2.275 6.591 -10.023 1.00 0.00 C ATOM 1346 OH TYR A 84 2.905 7.178 -11.097 1.00 0.00 O ATOM 0 H TYR A 84 1.913 5.934 -5.213 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.882 6.326 -5.924 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.968 3.926 -6.266 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.583 4.159 -7.049 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.956 5.340 -6.976 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.777 5.571 -9.045 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.073 6.411 -8.884 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.347 6.648 -10.940 1.00 0.00 H new ATOM 0 HH TYR A 84 2.246 7.373 -11.796 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.895 4.215 -4.607 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.547 3.378 -3.596 1.00 0.00 C ATOM 1358 C TYR A 85 -3.420 2.312 -4.275 1.00 0.00 C ATOM 1359 O TYR A 85 -4.060 2.581 -5.299 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.346 4.253 -2.603 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.548 5.016 -3.185 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.386 6.250 -3.810 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.849 4.510 -3.084 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.469 6.945 -4.298 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.929 5.208 -3.581 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.735 6.423 -4.184 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.817 7.127 -4.676 1.00 0.00 O ATOM 0 H TYR A 85 -2.413 4.293 -5.482 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.788 2.853 -3.016 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.704 3.615 -1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.663 4.977 -2.158 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.395 6.668 -3.913 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.010 3.554 -2.608 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.323 7.904 -4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.925 4.798 -3.495 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.639 6.618 -4.516 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.398 1.092 -3.709 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.091 -0.074 -4.262 1.00 0.00 C ATOM 1379 C LEU A 86 -5.397 -0.308 -3.497 1.00 0.00 C ATOM 1380 O LEU A 86 -5.388 -0.606 -2.277 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.167 -1.329 -4.201 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.609 -2.627 -4.980 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.680 -3.450 -4.240 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.078 -2.282 -6.401 1.00 0.00 C ATOM 0 H LEU A 86 -2.892 0.891 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.334 0.110 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.185 -1.037 -4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.042 -1.598 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.723 -3.259 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.937 -4.328 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.291 -3.766 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.570 -2.839 -4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.377 -3.194 -6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.927 -1.600 -6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.264 -1.807 -6.948 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.503 -0.183 -4.239 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.837 -0.556 -3.778 1.00 0.00 C ATOM 1398 C GLU A 87 -8.171 -1.951 -4.327 1.00 0.00 C ATOM 1399 O GLU A 87 -8.469 -2.116 -5.521 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.876 0.492 -4.230 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.626 1.898 -3.660 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.760 2.879 -3.977 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -10.791 2.848 -3.271 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -9.634 3.676 -4.932 1.00 0.00 O ATOM 0 H GLU A 87 -6.492 0.186 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.863 -0.586 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.874 0.546 -5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.869 0.159 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.502 1.830 -2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.692 2.288 -4.064 1.00 0.00 H new ATOM 1411 N GLY A 88 -8.064 -2.945 -3.446 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.341 -4.336 -3.770 1.00 0.00 C ATOM 1413 C GLY A 88 -8.206 -5.212 -2.540 1.00 0.00 C ATOM 1414 O GLY A 88 -7.403 -4.906 -1.642 1.00 0.00 O ATOM 0 H GLY A 88 -7.779 -2.801 -2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.348 -4.426 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.653 -4.678 -4.543 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.995 -6.300 -2.495 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.967 -7.272 -1.395 1.00 0.00 C ATOM 1420 C ASN A 89 -7.588 -7.958 -1.329 1.00 0.00 C ATOM 1421 O ASN A 89 -7.134 -8.554 -2.307 1.00 0.00 O ATOM 1422 CB ASN A 89 -10.110 -8.307 -1.540 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.492 -7.765 -1.161 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -11.758 -6.566 -1.228 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -12.385 -8.653 -0.760 1.00 0.00 N ATOM 0 H ASN A 89 -9.671 -6.528 -3.224 1.00 0.00 H new ATOM 0 HA ASN A 89 -9.128 -6.742 -0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -10.139 -8.659 -2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.886 -9.171 -0.915 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.323 -8.350 -0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.137 -9.641 -0.714 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.937 -7.852 -0.154 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.531 -8.245 0.051 1.00 0.00 C ATOM 1434 C VAL A 90 -5.332 -9.773 -0.076 1.00 0.00 C ATOM 1435 O VAL A 90 -4.243 -10.244 -0.401 1.00 0.00 O ATOM 1436 CB VAL A 90 -5.005 -7.703 1.436 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.621 -8.460 2.630 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.466 -7.677 1.505 1.00 0.00 C ATOM 0 H VAL A 90 -7.379 -7.486 0.689 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.938 -7.789 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.341 -6.669 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.229 -8.051 3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.705 -8.347 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.365 -9.517 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.152 -7.297 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.079 -8.687 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.077 -7.029 0.719 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.418 -10.527 0.141 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.415 -12.000 0.065 1.00 0.00 C ATOM 1450 C TYR A 91 -6.558 -12.475 -1.396 1.00 0.00 C ATOM 1451 O TYR A 91 -6.219 -13.620 -1.729 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.555 -12.562 0.952 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.519 -12.020 2.392 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -6.572 -12.475 3.310 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -8.404 -11.022 2.817 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -6.524 -11.968 4.594 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -8.349 -10.515 4.098 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.407 -10.991 4.980 1.00 0.00 C ATOM 1459 OH TYR A 91 -7.351 -10.484 6.258 1.00 0.00 O ATOM 0 H TYR A 91 -7.329 -10.133 0.376 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.462 -12.377 0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.515 -12.314 0.500 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.486 -13.650 0.977 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.865 -13.236 3.012 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.144 -10.642 2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -5.791 -12.341 5.294 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.043 -9.747 4.408 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.416 -10.429 6.547 1.00 0.00 H new ATOM 1469 N ASP A 92 -7.051 -11.568 -2.256 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.252 -11.830 -3.696 1.00 0.00 C ATOM 1471 C ASP A 92 -5.960 -11.632 -4.506 1.00 0.00 C ATOM 1472 O ASP A 92 -5.909 -12.028 -5.665 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.398 -10.941 -4.266 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.798 -11.483 -3.952 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -10.232 -11.407 -2.787 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.462 -12.016 -4.865 1.00 0.00 O ATOM 0 H ASP A 92 -7.323 -10.627 -1.973 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.540 -12.877 -3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.305 -9.935 -3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.282 -10.859 -5.347 1.00 0.00 H new ATOM 1481 N PHE A 93 -4.919 -11.037 -3.896 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.608 -10.834 -4.561 1.00 0.00 C ATOM 1483 C PHE A 93 -3.019 -12.190 -5.019 1.00 0.00 C ATOM 1484 O PHE A 93 -2.622 -12.353 -6.179 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.612 -10.110 -3.609 1.00 0.00 C ATOM 1486 CG PHE A 93 -3.004 -8.703 -3.140 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -4.175 -8.077 -3.555 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.177 -8.007 -2.274 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.496 -6.808 -3.126 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.497 -6.740 -1.845 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.654 -6.139 -2.265 1.00 0.00 C ATOM 0 H PHE A 93 -4.956 -10.685 -2.939 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.765 -10.205 -5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.469 -10.735 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.647 -10.044 -4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.844 -8.595 -4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.263 -8.468 -1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.407 -6.338 -3.464 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.833 -6.216 -1.174 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.905 -5.146 -1.923 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.046 -13.157 -4.081 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.616 -14.555 -4.293 1.00 0.00 C ATOM 1503 C GLU A 94 -3.265 -15.172 -5.555 1.00 0.00 C ATOM 1504 O GLU A 94 -2.563 -15.625 -6.462 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.955 -15.390 -3.010 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.820 -15.484 -1.957 1.00 0.00 C ATOM 1507 CD GLU A 94 -0.731 -16.522 -2.291 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -1.071 -17.623 -2.784 1.00 0.00 O ATOM 1509 OE2 GLU A 94 0.463 -16.257 -2.042 1.00 0.00 O ATOM 0 H GLU A 94 -3.375 -12.984 -3.131 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.539 -14.572 -4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.833 -14.953 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.228 -16.400 -3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.353 -14.504 -1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.257 -15.731 -0.990 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.602 -15.121 -5.622 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.377 -15.736 -6.728 1.00 0.00 C ATOM 1518 C LYS A 95 -5.354 -14.880 -8.019 1.00 0.00 C ATOM 1519 O LYS A 95 -5.712 -15.373 -9.088 1.00 0.00 O ATOM 1520 CB LYS A 95 -6.828 -16.033 -6.262 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.644 -14.786 -5.862 1.00 0.00 C ATOM 1522 CD LYS A 95 -8.976 -15.126 -5.157 1.00 0.00 C ATOM 1523 CE LYS A 95 -8.778 -15.823 -3.805 1.00 0.00 C ATOM 1524 NZ LYS A 95 -10.074 -16.163 -3.162 1.00 0.00 N ATOM 0 H LYS A 95 -5.181 -14.658 -4.921 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.894 -16.679 -6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.353 -16.553 -7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.790 -16.714 -5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.041 -14.162 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.854 -14.196 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.546 -14.209 -5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.571 -15.768 -5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.194 -16.732 -3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -8.203 -15.175 -3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.897 -16.632 -2.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.621 -15.293 -3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -10.612 -16.802 -3.782 1.00 0.00 H new ATOM 1538 N TYR A 96 -4.923 -13.605 -7.909 1.00 0.00 N ATOM 1539 CA TYR A 96 -4.659 -12.723 -9.078 1.00 0.00 C ATOM 1540 C TYR A 96 -3.214 -12.902 -9.587 1.00 0.00 C ATOM 1541 O TYR A 96 -2.822 -12.279 -10.576 1.00 0.00 O ATOM 1542 CB TYR A 96 -4.952 -11.227 -8.736 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.418 -10.791 -8.943 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.455 -11.352 -8.194 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -6.760 -9.830 -9.903 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -8.767 -10.967 -8.382 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.072 -9.444 -10.092 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.070 -10.017 -9.333 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.379 -9.627 -9.521 1.00 0.00 O ATOM 0 H TYR A 96 -4.747 -13.154 -7.011 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.338 -13.018 -9.878 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.677 -11.046 -7.697 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.310 -10.596 -9.350 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.225 -12.103 -7.452 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -5.984 -9.383 -10.506 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.553 -11.408 -7.786 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.316 -8.696 -10.832 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.420 -8.949 -10.228 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.421 -13.731 -8.885 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.103 -14.169 -9.376 1.00 0.00 C ATOM 1561 C GLY A 97 0.038 -13.363 -8.784 1.00 0.00 C ATOM 1562 O GLY A 97 1.055 -13.122 -9.450 1.00 0.00 O ATOM 0 H GLY A 97 -2.672 -14.112 -7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.962 -15.223 -9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.078 -14.084 -10.462 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.142 -12.939 -7.531 1.00 0.00 N ATOM 1567 CA PHE A 98 0.852 -12.182 -6.760 1.00 0.00 C ATOM 1568 C PHE A 98 1.093 -12.945 -5.458 1.00 0.00 C ATOM 1569 O PHE A 98 0.216 -12.948 -4.584 1.00 0.00 O ATOM 1570 CB PHE A 98 0.340 -10.742 -6.457 1.00 0.00 C ATOM 1571 CG PHE A 98 -0.184 -9.978 -7.681 1.00 0.00 C ATOM 1572 CD1 PHE A 98 0.688 -9.533 -8.671 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -1.545 -9.702 -7.834 1.00 0.00 C ATOM 1574 CE1 PHE A 98 0.220 -8.837 -9.771 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -2.009 -9.007 -8.936 1.00 0.00 C ATOM 1576 CZ PHE A 98 -1.127 -8.577 -9.901 1.00 0.00 C ATOM 0 H PHE A 98 -1.002 -13.115 -7.011 1.00 0.00 H new ATOM 0 HA PHE A 98 1.777 -12.083 -7.329 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.456 -10.803 -5.715 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.151 -10.169 -6.008 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.745 -9.734 -8.579 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.244 -10.036 -7.082 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.911 -8.497 -10.528 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.064 -8.802 -9.039 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.491 -8.035 -10.761 1.00 0.00 H new ATOM 1586 N ARG A 99 2.250 -13.636 -5.344 1.00 0.00 N ATOM 1587 CA ARG A 99 2.567 -14.435 -4.140 1.00 0.00 C ATOM 1588 C ARG A 99 2.675 -13.516 -2.918 1.00 0.00 C ATOM 1589 O ARG A 99 2.994 -12.322 -3.031 1.00 0.00 O ATOM 1590 CB ARG A 99 3.860 -15.310 -4.294 1.00 0.00 C ATOM 1591 CG ARG A 99 5.216 -14.621 -3.980 1.00 0.00 C ATOM 1592 CD ARG A 99 5.491 -13.412 -4.875 1.00 0.00 C ATOM 1593 NE ARG A 99 6.924 -13.050 -4.889 1.00 0.00 N ATOM 1594 CZ ARG A 99 7.631 -12.730 -5.985 1.00 0.00 C ATOM 1595 NH1 ARG A 99 7.061 -12.718 -7.186 1.00 0.00 N ATOM 1596 NH2 ARG A 99 8.921 -12.427 -5.874 1.00 0.00 N ATOM 0 H ARG A 99 2.973 -13.656 -6.064 1.00 0.00 H new ATOM 0 HA ARG A 99 1.745 -15.138 -4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.762 -16.178 -3.642 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.898 -15.682 -5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.224 -14.304 -2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.022 -15.345 -4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.162 -13.630 -5.891 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.905 -12.562 -4.526 1.00 0.00 H new ATOM 0 HE ARG A 99 7.415 -13.043 -3.995 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.074 -12.954 -7.284 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.611 -12.473 -8.009 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.371 -12.438 -4.958 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.461 -12.184 -6.704 1.00 0.00 H new ATOM 1610 N MET A 100 2.388 -14.086 -1.761 1.00 0.00 N ATOM 1611 CA MET A 100 2.300 -13.358 -0.498 1.00 0.00 C ATOM 1612 C MET A 100 2.916 -14.201 0.616 1.00 0.00 C ATOM 1613 O MET A 100 3.221 -15.388 0.429 1.00 0.00 O ATOM 1614 CB MET A 100 0.820 -13.008 -0.159 1.00 0.00 C ATOM 1615 CG MET A 100 0.030 -12.323 -1.287 1.00 0.00 C ATOM 1616 SD MET A 100 -1.579 -11.739 -0.757 1.00 0.00 S ATOM 1617 CE MET A 100 -1.082 -10.353 0.247 1.00 0.00 C ATOM 0 H MET A 100 2.206 -15.085 -1.666 1.00 0.00 H new ATOM 0 HA MET A 100 2.851 -12.422 -0.591 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.302 -13.926 0.119 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.809 -12.358 0.716 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.608 -11.482 -1.670 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.097 -13.024 -2.112 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.866 -9.596 0.236 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.915 -10.687 1.271 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.161 -9.927 -0.151 1.00 0.00 H new ATOM 1627 N VAL A 101 3.110 -13.566 1.767 1.00 0.00 N ATOM 1628 CA VAL A 101 3.657 -14.204 2.966 1.00 0.00 C ATOM 1629 C VAL A 101 2.581 -14.187 4.066 1.00 0.00 C ATOM 1630 O VAL A 101 2.366 -13.153 4.724 1.00 0.00 O ATOM 1631 CB VAL A 101 4.964 -13.470 3.456 1.00 0.00 C ATOM 1632 CG1 VAL A 101 5.694 -14.300 4.535 1.00 0.00 C ATOM 1633 CG2 VAL A 101 5.905 -13.136 2.269 1.00 0.00 C ATOM 0 H VAL A 101 2.889 -12.579 1.898 1.00 0.00 H new ATOM 0 HA VAL A 101 3.932 -15.233 2.733 1.00 0.00 H new ATOM 0 HB VAL A 101 4.663 -12.525 3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.592 -13.771 4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.034 -14.446 5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.972 -15.270 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.796 -12.631 2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.195 -14.057 1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.386 -12.485 1.566 1.00 0.00 H new ATOM 1643 N TYR A 102 1.862 -15.319 4.190 1.00 0.00 N ATOM 1644 CA TYR A 102 0.839 -15.534 5.234 1.00 0.00 C ATOM 1645 C TYR A 102 1.489 -16.130 6.496 1.00 0.00 C ATOM 1646 O TYR A 102 2.457 -16.893 6.388 1.00 0.00 O ATOM 1647 CB TYR A 102 -0.288 -16.472 4.712 1.00 0.00 C ATOM 1648 CG TYR A 102 -1.299 -15.804 3.762 1.00 0.00 C ATOM 1649 CD1 TYR A 102 -0.894 -15.231 2.556 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -2.662 -15.723 4.089 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -1.799 -14.615 1.716 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -3.566 -15.104 3.247 1.00 0.00 C ATOM 1653 CZ TYR A 102 -3.129 -14.553 2.062 1.00 0.00 C ATOM 1654 OH TYR A 102 -4.022 -13.930 1.219 1.00 0.00 O ATOM 0 H TYR A 102 1.975 -16.117 3.564 1.00 0.00 H new ATOM 0 HA TYR A 102 0.394 -14.572 5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.171 -17.315 4.196 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.828 -16.878 5.567 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.148 -15.270 2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -3.011 -16.153 5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.463 -14.181 0.786 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.611 -15.052 3.516 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.937 -14.169 1.477 1.00 0.00 H new