USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 667 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 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 27 MET CE :methyl -159:sc= -0.172 (180deg=-0.864) USER MOD Single : A 28 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.049) USER MOD Single : A 29 ASN :FLIP amide:sc=-0.00343 F(o=-1.2,f=-0.0034) USER MOD Single : A 33 SER OG : rot -18:sc= 0.122 USER MOD Single : A 34 GLN : amide:sc= -0.838 K(o=-0.84,f=-5.2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 85:sc= 1.05 USER MOD Single : A 44 CYS SG : rot 126:sc= -0.16 USER MOD Single : A 46 SER OG : rot 77:sc= 1.24 USER MOD Single : A 47 THR OG1 : rot -19:sc= 1.23 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0779 USER MOD Single : A 57 CYS SG : rot -69:sc= 0.425 USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 63 ASN :FLIP amide:sc= -1.07 F(o=-2.4!,f=-1.1) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.201 USER MOD Single : A 76 GLN :FLIP amide:sc= -1.39 F(o=-3.1!,f=-1.4) USER MOD Single : A 78 CYS SG : rot -17:sc= -6.32! USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 82 CYS SG : rot 65:sc= 0.74 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.103 F(o=-2!,f=-0.1) USER MOD Single : A 88 LYS NZ :NH3+ -165:sc= -0.778 (180deg=-1.14) USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= -0.0231 (180deg=-0.221) USER MOD Single : A 93 LYS NZ :NH3+ -163:sc= -0.0398 (180deg=-0.277) USER MOD Single : A 97 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.0036) USER MOD Single : A 98 LYS NZ :NH3+ 161:sc= -0.0662 (180deg=-0.461) USER MOD Single : A 99 MET CE :methyl -126:sc= -0.409 (180deg=-0.779) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -132:sc= -1.24 (180deg=-3.67!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 24 -20.959 -3.379 -1.575 1.00 0.00 N ATOM 2 CA GLY A 24 -20.389 -4.665 -1.087 1.00 0.00 C ATOM 3 C GLY A 24 -20.721 -5.830 -2.000 1.00 0.00 C ATOM 4 O GLY A 24 -21.818 -6.385 -1.936 1.00 0.00 O ATOM 0 HA2 GLY A 24 -19.306 -4.570 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -20.770 -4.871 -0.087 1.00 0.00 H new ATOM 10 N SER A 25 -19.771 -6.199 -2.853 1.00 0.00 N ATOM 11 CA SER A 25 -19.966 -7.306 -3.782 1.00 0.00 C ATOM 12 C SER A 25 -18.670 -8.084 -3.983 1.00 0.00 C ATOM 13 O SER A 25 -18.592 -8.969 -4.835 1.00 0.00 O ATOM 14 CB SER A 25 -20.477 -6.787 -5.128 1.00 0.00 C ATOM 15 OG SER A 25 -19.548 -5.893 -5.716 1.00 0.00 O ATOM 0 H SER A 25 -18.859 -5.748 -2.920 1.00 0.00 H new ATOM 0 HA SER A 25 -20.709 -7.979 -3.354 1.00 0.00 H new ATOM 0 HB2 SER A 25 -20.655 -7.626 -5.801 1.00 0.00 H new ATOM 0 HB3 SER A 25 -21.433 -6.283 -4.988 1.00 0.00 H new ATOM 0 HG SER A 25 -19.897 -5.577 -6.575 1.00 0.00 H new ATOM 21 N HIS A 26 -17.655 -7.749 -3.191 1.00 0.00 N ATOM 22 CA HIS A 26 -16.362 -8.418 -3.280 1.00 0.00 C ATOM 23 C HIS A 26 -16.378 -9.738 -2.516 1.00 0.00 C ATOM 24 O HIS A 26 -17.349 -10.058 -1.828 1.00 0.00 O ATOM 25 CB HIS A 26 -15.254 -7.517 -2.729 1.00 0.00 C ATOM 26 CG HIS A 26 -15.146 -6.195 -3.424 1.00 0.00 C ATOM 27 ND1 HIS A 26 -15.501 -5.001 -2.829 1.00 0.00 N ATOM 28 CD2 HIS A 26 -14.709 -5.878 -4.667 1.00 0.00 C ATOM 29 CE1 HIS A 26 -15.287 -4.009 -3.675 1.00 0.00 C ATOM 30 NE2 HIS A 26 -14.807 -4.514 -4.797 1.00 0.00 N ATOM 0 H HIS A 26 -17.704 -7.018 -2.481 1.00 0.00 H new ATOM 0 HA HIS A 26 -16.164 -8.625 -4.332 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -15.433 -7.345 -1.668 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -14.300 -8.039 -2.811 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -14.351 -6.569 -5.416 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -15.473 -2.963 -3.482 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.551 -3.978 -5.626 1.00 0.00 H new ATOM 39 N MET A 27 -15.296 -10.498 -2.639 1.00 0.00 N ATOM 40 CA MET A 27 -15.177 -11.783 -1.961 1.00 0.00 C ATOM 41 C MET A 27 -13.771 -11.967 -1.403 1.00 0.00 C ATOM 42 O MET A 27 -13.556 -12.748 -0.475 1.00 0.00 O ATOM 43 CB MET A 27 -15.516 -12.930 -2.918 1.00 0.00 C ATOM 44 CG MET A 27 -14.590 -13.026 -4.122 1.00 0.00 C ATOM 45 SD MET A 27 -14.840 -11.689 -5.308 1.00 0.00 S ATOM 46 CE MET A 27 -16.529 -11.998 -5.817 1.00 0.00 C ATOM 0 H MET A 27 -14.486 -10.245 -3.204 1.00 0.00 H new ATOM 0 HA MET A 27 -15.886 -11.797 -1.133 1.00 0.00 H new ATOM 0 HB2 MET A 27 -15.479 -13.871 -2.369 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.540 -12.806 -3.269 1.00 0.00 H new ATOM 0 HG2 MET A 27 -13.555 -13.013 -3.780 1.00 0.00 H new ATOM 0 HG3 MET A 27 -14.749 -13.982 -4.621 1.00 0.00 H new ATOM 0 HE1 MET A 27 -16.711 -11.523 -6.781 1.00 0.00 H new ATOM 0 HE2 MET A 27 -16.692 -13.072 -5.905 1.00 0.00 H new ATOM 0 HE3 MET A 27 -17.214 -11.587 -5.075 1.00 0.00 H new ATOM 56 N ASN A 28 -12.817 -11.241 -1.975 1.00 0.00 N ATOM 57 CA ASN A 28 -11.429 -11.317 -1.539 1.00 0.00 C ATOM 58 C ASN A 28 -10.949 -9.961 -1.032 1.00 0.00 C ATOM 59 O ASN A 28 -11.211 -8.930 -1.651 1.00 0.00 O ATOM 60 CB ASN A 28 -10.536 -11.793 -2.686 1.00 0.00 C ATOM 61 CG ASN A 28 -10.592 -10.866 -3.884 1.00 0.00 C ATOM 62 OD1 ASN A 28 -11.422 -11.036 -4.778 1.00 0.00 O ATOM 63 ND2 ASN A 28 -9.706 -9.877 -3.909 1.00 0.00 N ATOM 0 H ASN A 28 -12.981 -10.591 -2.744 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.367 -12.035 -0.722 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.507 -11.867 -2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.842 -12.794 -2.990 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.696 -9.221 -4.690 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.036 -9.773 -3.147 1.00 0.00 H new ATOM 70 N ASN A 29 -10.247 -9.974 0.100 1.00 0.00 N ATOM 71 CA ASN A 29 -9.727 -8.748 0.701 1.00 0.00 C ATOM 72 C ASN A 29 -10.856 -7.776 1.029 1.00 0.00 C ATOM 73 O ASN A 29 -11.312 -7.023 0.167 1.00 0.00 O ATOM 74 CB ASN A 29 -8.713 -8.079 -0.233 1.00 0.00 C ATOM 75 CG ASN A 29 -7.506 -8.955 -0.508 1.00 0.00 C ATOM 76 OD1 ASN A 29 -7.149 -9.799 0.457 1.00 0.00 O flip ATOM 77 ND2 ASN A 29 -6.898 -8.875 -1.575 1.00 0.00 N flip ATOM 0 H ASN A 29 -10.025 -10.823 0.620 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.226 -9.019 1.630 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.201 -7.833 -1.176 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.382 -7.139 0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.205 -8.214 -2.289 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.087 -9.470 -1.746 1.00 0.00 H new ATOM 84 N GLU A 30 -11.303 -7.799 2.282 1.00 0.00 N ATOM 85 CA GLU A 30 -12.378 -6.921 2.729 1.00 0.00 C ATOM 86 C GLU A 30 -11.961 -6.152 3.978 1.00 0.00 C ATOM 87 O GLU A 30 -11.880 -4.923 3.963 1.00 0.00 O ATOM 88 CB GLU A 30 -13.645 -7.734 3.011 1.00 0.00 C ATOM 89 CG GLU A 30 -14.842 -6.883 3.404 1.00 0.00 C ATOM 90 CD GLU A 30 -15.259 -5.921 2.308 1.00 0.00 C ATOM 91 OE1 GLU A 30 -14.715 -4.798 2.263 1.00 0.00 O ATOM 92 OE2 GLU A 30 -16.132 -6.291 1.494 1.00 0.00 O ATOM 0 H GLU A 30 -10.936 -8.417 3.006 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.587 -6.204 1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.899 -8.314 2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.439 -8.446 3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.681 -7.534 3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.602 -6.319 4.305 1.00 0.00 H new ATOM 99 N ASP A 31 -11.699 -6.882 5.059 1.00 0.00 N ATOM 100 CA ASP A 31 -11.284 -6.266 6.314 1.00 0.00 C ATOM 101 C ASP A 31 -9.949 -5.550 6.146 1.00 0.00 C ATOM 102 O ASP A 31 -8.891 -6.175 6.178 1.00 0.00 O ATOM 103 CB ASP A 31 -11.172 -7.324 7.415 1.00 0.00 C ATOM 104 CG ASP A 31 -12.494 -8.013 7.693 1.00 0.00 C ATOM 105 OD1 ASP A 31 -13.290 -7.472 8.488 1.00 0.00 O ATOM 106 OD2 ASP A 31 -12.731 -9.096 7.116 1.00 0.00 O ATOM 0 H ASP A 31 -11.767 -7.899 5.090 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.039 -5.534 6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.431 -8.069 7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.811 -6.855 8.330 1.00 0.00 H new ATOM 111 N PHE A 32 -10.010 -4.234 5.966 1.00 0.00 N ATOM 112 CA PHE A 32 -8.812 -3.423 5.780 1.00 0.00 C ATOM 113 C PHE A 32 -7.902 -3.479 7.006 1.00 0.00 C ATOM 114 O PHE A 32 -6.735 -3.090 6.943 1.00 0.00 O ATOM 115 CB PHE A 32 -9.211 -1.975 5.489 1.00 0.00 C ATOM 116 CG PHE A 32 -8.050 -1.075 5.189 1.00 0.00 C ATOM 117 CD1 PHE A 32 -7.418 -1.128 3.959 1.00 0.00 C ATOM 118 CD2 PHE A 32 -7.593 -0.174 6.136 1.00 0.00 C ATOM 119 CE1 PHE A 32 -6.349 -0.300 3.677 1.00 0.00 C ATOM 120 CE2 PHE A 32 -6.524 0.657 5.861 1.00 0.00 C ATOM 121 CZ PHE A 32 -5.901 0.594 4.630 1.00 0.00 C ATOM 0 H PHE A 32 -10.882 -3.705 5.945 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.256 -3.827 4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.898 -1.960 4.643 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.754 -1.578 6.347 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.765 -1.825 3.211 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.077 -0.120 7.100 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.864 -0.351 2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.176 1.355 6.608 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.065 1.242 4.413 1.00 0.00 H new ATOM 131 N SER A 33 -8.437 -3.970 8.119 1.00 0.00 N ATOM 132 CA SER A 33 -7.670 -4.063 9.357 1.00 0.00 C ATOM 133 C SER A 33 -7.034 -5.442 9.521 1.00 0.00 C ATOM 134 O SER A 33 -6.142 -5.625 10.350 1.00 0.00 O ATOM 135 CB SER A 33 -8.566 -3.759 10.558 1.00 0.00 C ATOM 136 OG SER A 33 -7.835 -3.832 11.770 1.00 0.00 O ATOM 0 H SER A 33 -9.396 -4.309 8.190 1.00 0.00 H new ATOM 0 HA SER A 33 -6.869 -3.325 9.306 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.999 -2.765 10.450 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.395 -4.467 10.586 1.00 0.00 H new ATOM 0 HG SER A 33 -7.006 -4.334 11.623 1.00 0.00 H new ATOM 142 N GLN A 34 -7.493 -6.408 8.732 1.00 0.00 N ATOM 143 CA GLN A 34 -6.968 -7.770 8.813 1.00 0.00 C ATOM 144 C GLN A 34 -5.944 -8.052 7.713 1.00 0.00 C ATOM 145 O GLN A 34 -5.693 -9.208 7.374 1.00 0.00 O ATOM 146 CB GLN A 34 -8.116 -8.781 8.731 1.00 0.00 C ATOM 147 CG GLN A 34 -9.133 -8.643 9.855 1.00 0.00 C ATOM 148 CD GLN A 34 -8.600 -9.107 11.199 1.00 0.00 C ATOM 149 OE1 GLN A 34 -7.400 -9.037 11.466 1.00 0.00 O ATOM 150 NE2 GLN A 34 -9.495 -9.584 12.055 1.00 0.00 N ATOM 0 H GLN A 34 -8.223 -6.276 8.032 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.460 -7.871 9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.626 -8.662 7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.703 -9.789 8.749 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.441 -7.600 9.933 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.023 -9.220 9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.480 -9.624 11.793 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.198 -9.910 12.975 1.00 0.00 H new ATOM 159 N TRP A 35 -5.347 -6.996 7.166 1.00 0.00 N ATOM 160 CA TRP A 35 -4.343 -7.148 6.115 1.00 0.00 C ATOM 161 C TRP A 35 -3.002 -7.581 6.702 1.00 0.00 C ATOM 162 O TRP A 35 -2.702 -7.299 7.862 1.00 0.00 O ATOM 163 CB TRP A 35 -4.175 -5.839 5.337 1.00 0.00 C ATOM 164 CG TRP A 35 -5.273 -5.582 4.346 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.564 -6.023 4.417 1.00 0.00 C ATOM 166 CD2 TRP A 35 -5.175 -4.823 3.136 1.00 0.00 C ATOM 167 NE1 TRP A 35 -7.274 -5.584 3.326 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.443 -4.845 2.524 1.00 0.00 C ATOM 169 CE3 TRP A 35 -4.137 -4.126 2.512 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.700 -4.197 1.320 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.393 -3.484 1.315 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.665 -3.523 0.730 1.00 0.00 C ATOM 0 H TRP A 35 -5.539 -6.030 7.431 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.689 -7.923 5.431 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.133 -5.010 6.043 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.220 -5.859 4.811 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.968 -6.629 5.215 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.259 -5.776 3.142 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.153 -4.090 2.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.680 -4.225 0.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.599 -2.943 0.822 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.833 -3.011 -0.206 1.00 0.00 H new ATOM 183 N SER A 36 -2.199 -8.266 5.891 1.00 0.00 N ATOM 184 CA SER A 36 -0.889 -8.738 6.331 1.00 0.00 C ATOM 185 C SER A 36 0.211 -8.233 5.404 1.00 0.00 C ATOM 186 O SER A 36 -0.068 -7.646 4.359 1.00 0.00 O ATOM 187 CB SER A 36 -0.867 -10.266 6.386 1.00 0.00 C ATOM 188 OG SER A 36 -1.831 -10.758 7.300 1.00 0.00 O ATOM 0 H SER A 36 -2.432 -8.506 4.927 1.00 0.00 H new ATOM 0 HA SER A 36 -0.705 -8.344 7.330 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.063 -10.671 5.393 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.125 -10.608 6.680 1.00 0.00 H new ATOM 0 HG SER A 36 -1.798 -11.737 7.315 1.00 0.00 H new ATOM 194 N VAL A 37 1.461 -8.470 5.794 1.00 0.00 N ATOM 195 CA VAL A 37 2.611 -8.036 5.005 1.00 0.00 C ATOM 196 C VAL A 37 2.532 -8.548 3.568 1.00 0.00 C ATOM 197 O VAL A 37 2.618 -7.769 2.621 1.00 0.00 O ATOM 198 CB VAL A 37 3.937 -8.508 5.638 1.00 0.00 C ATOM 199 CG1 VAL A 37 5.112 -8.213 4.718 1.00 0.00 C ATOM 200 CG2 VAL A 37 4.147 -7.850 6.991 1.00 0.00 C ATOM 0 H VAL A 37 1.704 -8.962 6.654 1.00 0.00 H new ATOM 0 HA VAL A 37 2.588 -6.946 4.994 1.00 0.00 H new ATOM 0 HB VAL A 37 3.877 -9.587 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.035 -8.555 5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.972 -8.733 3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.172 -7.140 4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.087 -8.195 7.422 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.180 -6.767 6.868 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.325 -8.114 7.656 1.00 0.00 H new ATOM 210 N ASP A 38 2.369 -9.859 3.414 1.00 0.00 N ATOM 211 CA ASP A 38 2.290 -10.469 2.089 1.00 0.00 C ATOM 212 C ASP A 38 1.174 -9.844 1.254 1.00 0.00 C ATOM 213 O ASP A 38 1.276 -9.762 0.029 1.00 0.00 O ATOM 214 CB ASP A 38 2.067 -11.979 2.212 1.00 0.00 C ATOM 215 CG ASP A 38 0.768 -12.317 2.917 1.00 0.00 C ATOM 216 OD1 ASP A 38 -0.272 -12.412 2.231 1.00 0.00 O ATOM 217 OD2 ASP A 38 0.789 -12.487 4.154 1.00 0.00 O ATOM 0 H ASP A 38 2.289 -10.519 4.188 1.00 0.00 H new ATOM 0 HA ASP A 38 3.237 -10.285 1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.064 -12.425 1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.899 -12.423 2.758 1.00 0.00 H new ATOM 222 N ASP A 39 0.115 -9.400 1.922 1.00 0.00 N ATOM 223 CA ASP A 39 -1.022 -8.791 1.238 1.00 0.00 C ATOM 224 C ASP A 39 -0.696 -7.375 0.770 1.00 0.00 C ATOM 225 O ASP A 39 -1.027 -6.993 -0.352 1.00 0.00 O ATOM 226 CB ASP A 39 -2.242 -8.767 2.160 1.00 0.00 C ATOM 227 CG ASP A 39 -3.487 -8.263 1.455 1.00 0.00 C ATOM 228 OD1 ASP A 39 -3.717 -7.036 1.461 1.00 0.00 O ATOM 229 OD2 ASP A 39 -4.231 -9.097 0.897 1.00 0.00 O ATOM 0 H ASP A 39 0.019 -9.450 2.936 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.246 -9.396 0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.425 -9.771 2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.032 -8.131 3.020 1.00 0.00 H new ATOM 234 N VAL A 40 -0.048 -6.601 1.635 1.00 0.00 N ATOM 235 CA VAL A 40 0.315 -5.226 1.310 1.00 0.00 C ATOM 236 C VAL A 40 1.357 -5.178 0.195 1.00 0.00 C ATOM 237 O VAL A 40 1.257 -4.367 -0.722 1.00 0.00 O ATOM 238 CB VAL A 40 0.864 -4.480 2.543 1.00 0.00 C ATOM 239 CG1 VAL A 40 1.236 -3.049 2.188 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.150 -4.507 3.676 1.00 0.00 C ATOM 0 H VAL A 40 0.237 -6.903 2.567 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.597 -4.733 0.973 1.00 0.00 H new ATOM 0 HB VAL A 40 1.767 -4.990 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.621 -2.543 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.001 -3.054 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.353 -2.523 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.254 -3.976 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.072 -4.024 3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.360 -5.540 3.952 1.00 0.00 H new ATOM 250 N ILE A 41 2.355 -6.051 0.284 1.00 0.00 N ATOM 251 CA ILE A 41 3.419 -6.103 -0.713 1.00 0.00 C ATOM 252 C ILE A 41 2.870 -6.425 -2.098 1.00 0.00 C ATOM 253 O ILE A 41 3.056 -5.658 -3.043 1.00 0.00 O ATOM 254 CB ILE A 41 4.486 -7.156 -0.346 1.00 0.00 C ATOM 255 CG1 ILE A 41 5.115 -6.826 1.010 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.555 -7.229 -1.428 1.00 0.00 C ATOM 257 CD1 ILE A 41 6.108 -7.864 1.487 1.00 0.00 C ATOM 0 H ILE A 41 2.450 -6.733 1.037 1.00 0.00 H new ATOM 0 HA ILE A 41 3.878 -5.114 -0.727 1.00 0.00 H new ATOM 0 HB ILE A 41 4.003 -8.130 -0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.616 -5.860 0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.324 -6.724 1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.300 -7.976 -1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.095 -7.506 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.037 -6.257 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.513 -7.563 2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.608 -8.827 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.920 -7.950 0.765 1.00 0.00 H new ATOM 269 N THR A 42 2.196 -7.565 -2.211 1.00 0.00 N ATOM 270 CA THR A 42 1.632 -7.997 -3.483 1.00 0.00 C ATOM 271 C THR A 42 0.740 -6.924 -4.100 1.00 0.00 C ATOM 272 O THR A 42 0.988 -6.472 -5.216 1.00 0.00 O ATOM 273 CB THR A 42 0.817 -9.294 -3.327 1.00 0.00 C ATOM 274 OG1 THR A 42 1.618 -10.303 -2.699 1.00 0.00 O ATOM 275 CG2 THR A 42 0.335 -9.794 -4.680 1.00 0.00 C ATOM 0 H THR A 42 2.027 -8.206 -1.436 1.00 0.00 H new ATOM 0 HA THR A 42 2.478 -8.180 -4.146 1.00 0.00 H new ATOM 0 HB THR A 42 -0.052 -9.080 -2.704 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.569 -10.201 -1.726 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.238 -10.711 -4.546 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.296 -9.036 -5.144 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.194 -9.994 -5.321 1.00 0.00 H new ATOM 283 N TRP A 43 -0.297 -6.524 -3.370 1.00 0.00 N ATOM 284 CA TRP A 43 -1.229 -5.507 -3.852 1.00 0.00 C ATOM 285 C TRP A 43 -0.491 -4.250 -4.305 1.00 0.00 C ATOM 286 O TRP A 43 -0.679 -3.778 -5.426 1.00 0.00 O ATOM 287 CB TRP A 43 -2.236 -5.152 -2.757 1.00 0.00 C ATOM 288 CG TRP A 43 -3.191 -4.067 -3.153 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.363 -4.215 -3.838 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.055 -2.665 -2.890 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.965 -2.993 -4.013 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.181 -2.025 -3.441 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.090 -1.889 -2.240 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.368 -0.647 -3.362 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.277 -0.522 -2.164 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.409 0.087 -2.721 1.00 0.00 C ATOM 0 H TRP A 43 -0.514 -6.888 -2.442 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.759 -5.919 -4.710 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.802 -6.045 -2.492 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.695 -4.841 -1.864 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.759 -5.156 -4.191 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.852 -2.832 -4.491 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.215 -2.350 -1.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.239 -0.175 -3.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.537 0.088 -1.666 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.527 1.158 -2.642 1.00 0.00 H new ATOM 307 N CYS A 44 0.346 -3.718 -3.423 1.00 0.00 N ATOM 308 CA CYS A 44 1.116 -2.510 -3.710 1.00 0.00 C ATOM 309 C CYS A 44 1.864 -2.617 -5.038 1.00 0.00 C ATOM 310 O CYS A 44 1.568 -1.893 -5.987 1.00 0.00 O ATOM 311 CB CYS A 44 2.108 -2.250 -2.574 1.00 0.00 C ATOM 312 SG CYS A 44 3.384 -1.035 -2.968 1.00 0.00 S ATOM 0 H CYS A 44 0.511 -4.107 -2.495 1.00 0.00 H new ATOM 0 HA CYS A 44 0.417 -1.678 -3.790 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.557 -1.910 -1.697 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.589 -3.190 -2.304 1.00 0.00 H new ATOM 0 HG CYS A 44 3.388 -0.101 -2.063 1.00 0.00 H new ATOM 318 N ILE A 45 2.834 -3.522 -5.087 1.00 0.00 N ATOM 319 CA ILE A 45 3.649 -3.731 -6.282 1.00 0.00 C ATOM 320 C ILE A 45 2.798 -3.990 -7.526 1.00 0.00 C ATOM 321 O ILE A 45 3.081 -3.464 -8.602 1.00 0.00 O ATOM 322 CB ILE A 45 4.604 -4.924 -6.082 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.474 -4.711 -4.843 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.467 -5.127 -7.316 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.338 -5.904 -4.498 1.00 0.00 C ATOM 0 H ILE A 45 3.079 -4.130 -4.305 1.00 0.00 H new ATOM 0 HA ILE A 45 4.216 -2.813 -6.436 1.00 0.00 H new ATOM 0 HB ILE A 45 4.007 -5.823 -5.930 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.114 -3.843 -5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.831 -4.480 -3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.135 -5.973 -7.157 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.829 -5.325 -8.178 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.056 -4.229 -7.500 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.928 -5.681 -3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.704 -6.769 -4.305 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.006 -6.122 -5.331 1.00 0.00 H new ATOM 337 N SER A 46 1.756 -4.796 -7.368 1.00 0.00 N ATOM 338 CA SER A 46 0.877 -5.152 -8.479 1.00 0.00 C ATOM 339 C SER A 46 0.251 -3.931 -9.152 1.00 0.00 C ATOM 340 O SER A 46 -0.322 -4.052 -10.235 1.00 0.00 O ATOM 341 CB SER A 46 -0.227 -6.096 -7.997 1.00 0.00 C ATOM 342 OG SER A 46 0.305 -7.350 -7.612 1.00 0.00 O ATOM 0 H SER A 46 1.496 -5.219 -6.477 1.00 0.00 H new ATOM 0 HA SER A 46 1.497 -5.651 -9.223 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.752 -5.646 -7.154 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.961 -6.237 -8.791 1.00 0.00 H new ATOM 0 HG SER A 46 0.723 -7.271 -6.729 1.00 0.00 H new ATOM 348 N THR A 47 0.352 -2.761 -8.527 1.00 0.00 N ATOM 349 CA THR A 47 -0.242 -1.560 -9.108 1.00 0.00 C ATOM 350 C THR A 47 0.551 -0.288 -8.799 1.00 0.00 C ATOM 351 O THR A 47 0.070 0.815 -9.055 1.00 0.00 O ATOM 352 CB THR A 47 -1.692 -1.371 -8.620 1.00 0.00 C ATOM 353 OG1 THR A 47 -2.262 -0.195 -9.207 1.00 0.00 O ATOM 354 CG2 THR A 47 -1.748 -1.265 -7.104 1.00 0.00 C ATOM 0 H THR A 47 0.829 -2.619 -7.637 1.00 0.00 H new ATOM 0 HA THR A 47 -0.223 -1.715 -10.187 1.00 0.00 H new ATOM 0 HB THR A 47 -2.267 -2.244 -8.928 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.545 0.391 -9.528 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.782 -1.132 -6.787 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.346 -2.176 -6.660 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.156 -0.411 -6.777 1.00 0.00 H new ATOM 362 N LEU A 48 1.762 -0.426 -8.265 1.00 0.00 N ATOM 363 CA LEU A 48 2.563 0.754 -7.946 1.00 0.00 C ATOM 364 C LEU A 48 3.511 1.111 -9.088 1.00 0.00 C ATOM 365 O LEU A 48 3.317 2.119 -9.768 1.00 0.00 O ATOM 366 CB LEU A 48 3.355 0.533 -6.653 1.00 0.00 C ATOM 367 CG LEU A 48 3.989 1.796 -6.056 1.00 0.00 C ATOM 368 CD1 LEU A 48 4.213 1.629 -4.565 1.00 0.00 C ATOM 369 CD2 LEU A 48 5.304 2.118 -6.745 1.00 0.00 C ATOM 0 H LEU A 48 2.203 -1.320 -8.048 1.00 0.00 H new ATOM 0 HA LEU A 48 1.877 1.589 -7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.691 0.092 -5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.144 -0.194 -6.848 1.00 0.00 H new ATOM 0 HG LEU A 48 3.300 2.625 -6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.663 2.536 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.258 1.447 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.879 0.784 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.735 3.017 -6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.995 1.285 -6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.127 2.283 -7.808 1.00 0.00 H new ATOM 381 N GLU A 49 4.533 0.288 -9.297 1.00 0.00 N ATOM 382 CA GLU A 49 5.499 0.541 -10.362 1.00 0.00 C ATOM 383 C GLU A 49 5.954 -0.754 -11.026 1.00 0.00 C ATOM 384 O GLU A 49 5.586 -1.046 -12.164 1.00 0.00 O ATOM 385 CB GLU A 49 6.712 1.294 -9.810 1.00 0.00 C ATOM 386 CG GLU A 49 7.716 1.696 -10.879 1.00 0.00 C ATOM 387 CD GLU A 49 8.925 2.409 -10.307 1.00 0.00 C ATOM 388 OE1 GLU A 49 8.848 3.639 -10.105 1.00 0.00 O ATOM 389 OE2 GLU A 49 9.949 1.737 -10.061 1.00 0.00 O ATOM 0 H GLU A 49 4.714 -0.553 -8.749 1.00 0.00 H new ATOM 0 HA GLU A 49 5.004 1.153 -11.117 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.369 2.189 -9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.212 0.669 -9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.044 0.806 -11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.227 2.345 -11.606 1.00 0.00 H new ATOM 396 N VAL A 50 6.755 -1.524 -10.297 1.00 0.00 N ATOM 397 CA VAL A 50 7.293 -2.781 -10.802 1.00 0.00 C ATOM 398 C VAL A 50 6.373 -3.955 -10.473 1.00 0.00 C ATOM 399 O VAL A 50 5.286 -3.769 -9.929 1.00 0.00 O ATOM 400 CB VAL A 50 8.690 -3.051 -10.202 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.648 -1.922 -10.552 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.596 -3.225 -8.694 1.00 0.00 C ATOM 0 H VAL A 50 7.048 -1.296 -9.347 1.00 0.00 H new ATOM 0 HA VAL A 50 7.369 -2.689 -11.885 1.00 0.00 H new ATOM 0 HB VAL A 50 9.078 -3.975 -10.631 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.627 -2.129 -10.121 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.738 -1.844 -11.635 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.266 -0.983 -10.151 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.589 -3.415 -8.287 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.188 -2.318 -8.248 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.943 -4.067 -8.465 1.00 0.00 H new ATOM 412 N GLU A 51 6.817 -5.158 -10.824 1.00 0.00 N ATOM 413 CA GLU A 51 6.054 -6.373 -10.550 1.00 0.00 C ATOM 414 C GLU A 51 6.715 -7.139 -9.412 1.00 0.00 C ATOM 415 O GLU A 51 7.661 -6.641 -8.802 1.00 0.00 O ATOM 416 CB GLU A 51 5.976 -7.251 -11.801 1.00 0.00 C ATOM 417 CG GLU A 51 7.334 -7.698 -12.315 1.00 0.00 C ATOM 418 CD GLU A 51 7.233 -8.577 -13.545 1.00 0.00 C ATOM 419 OE1 GLU A 51 6.843 -9.755 -13.402 1.00 0.00 O ATOM 420 OE2 GLU A 51 7.545 -8.089 -14.651 1.00 0.00 O ATOM 0 H GLU A 51 7.704 -5.319 -11.301 1.00 0.00 H new ATOM 0 HA GLU A 51 5.039 -6.099 -10.261 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.373 -8.131 -11.580 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.461 -6.701 -12.589 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.936 -6.820 -12.549 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.855 -8.241 -11.527 1.00 0.00 H new ATOM 427 N GLU A 52 6.228 -8.341 -9.114 1.00 0.00 N ATOM 428 CA GLU A 52 6.820 -9.125 -8.036 1.00 0.00 C ATOM 429 C GLU A 52 8.116 -9.775 -8.504 1.00 0.00 C ATOM 430 O GLU A 52 8.185 -10.988 -8.711 1.00 0.00 O ATOM 431 CB GLU A 52 5.842 -10.194 -7.546 1.00 0.00 C ATOM 432 CG GLU A 52 4.547 -9.626 -6.989 1.00 0.00 C ATOM 433 CD GLU A 52 3.617 -10.701 -6.463 1.00 0.00 C ATOM 434 OE1 GLU A 52 2.791 -11.209 -7.250 1.00 0.00 O ATOM 435 OE2 GLU A 52 3.716 -11.034 -5.263 1.00 0.00 O ATOM 0 H GLU A 52 5.443 -8.785 -9.592 1.00 0.00 H new ATOM 0 HA GLU A 52 7.042 -8.453 -7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.608 -10.866 -8.372 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.327 -10.792 -6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.778 -8.926 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.038 -9.060 -7.769 1.00 0.00 H new ATOM 442 N THR A 53 9.139 -8.945 -8.674 1.00 0.00 N ATOM 443 CA THR A 53 10.455 -9.398 -9.099 1.00 0.00 C ATOM 444 C THR A 53 11.536 -8.566 -8.425 1.00 0.00 C ATOM 445 O THR A 53 12.528 -9.089 -7.916 1.00 0.00 O ATOM 446 CB THR A 53 10.622 -9.301 -10.627 1.00 0.00 C ATOM 447 OG1 THR A 53 10.453 -7.944 -11.053 1.00 0.00 O ATOM 448 CG2 THR A 53 9.616 -10.191 -11.340 1.00 0.00 C ATOM 0 H THR A 53 9.078 -7.938 -8.520 1.00 0.00 H new ATOM 0 HA THR A 53 10.552 -10.444 -8.807 1.00 0.00 H new ATOM 0 HB THR A 53 11.626 -9.639 -10.882 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.562 -7.890 -12.025 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.754 -10.105 -12.418 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.767 -11.227 -11.036 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.605 -9.880 -11.078 1.00 0.00 H new ATOM 456 N ASP A 54 11.315 -7.255 -8.434 1.00 0.00 N ATOM 457 CA ASP A 54 12.236 -6.293 -7.851 1.00 0.00 C ATOM 458 C ASP A 54 12.353 -6.482 -6.339 1.00 0.00 C ATOM 459 O ASP A 54 11.448 -7.025 -5.706 1.00 0.00 O ATOM 460 CB ASP A 54 11.738 -4.882 -8.167 1.00 0.00 C ATOM 461 CG ASP A 54 12.766 -4.049 -8.911 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.049 -4.366 -10.086 1.00 0.00 O ATOM 463 OD2 ASP A 54 13.283 -3.077 -8.320 1.00 0.00 O ATOM 0 H ASP A 54 10.486 -6.831 -8.849 1.00 0.00 H new ATOM 0 HA ASP A 54 13.226 -6.447 -8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.829 -4.948 -8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.473 -4.378 -7.237 1.00 0.00 H new ATOM 468 N PRO A 55 13.475 -6.035 -5.737 1.00 0.00 N ATOM 469 CA PRO A 55 13.694 -6.157 -4.291 1.00 0.00 C ATOM 470 C PRO A 55 12.701 -5.327 -3.485 1.00 0.00 C ATOM 471 O PRO A 55 12.699 -5.369 -2.256 1.00 0.00 O ATOM 472 CB PRO A 55 15.119 -5.629 -4.091 1.00 0.00 C ATOM 473 CG PRO A 55 15.375 -4.762 -5.274 1.00 0.00 C ATOM 474 CD PRO A 55 14.613 -5.383 -6.410 1.00 0.00 C ATOM 0 HA PRO A 55 13.558 -7.182 -3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.205 -5.065 -3.162 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.839 -6.446 -4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 55 15.040 -3.741 -5.090 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.440 -4.712 -5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.280 -4.634 -7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.222 -6.102 -6.958 1.00 0.00 H new ATOM 482 N LEU A 56 11.862 -4.568 -4.189 1.00 0.00 N ATOM 483 CA LEU A 56 10.854 -3.732 -3.545 1.00 0.00 C ATOM 484 C LEU A 56 10.019 -4.557 -2.571 1.00 0.00 C ATOM 485 O LEU A 56 9.613 -4.072 -1.513 1.00 0.00 O ATOM 486 CB LEU A 56 9.948 -3.094 -4.603 1.00 0.00 C ATOM 487 CG LEU A 56 8.871 -2.149 -4.065 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.492 -0.859 -3.552 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.843 -1.848 -5.146 1.00 0.00 C ATOM 0 H LEU A 56 11.862 -4.516 -5.208 1.00 0.00 H new ATOM 0 HA LEU A 56 11.360 -2.944 -2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.572 -2.543 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.460 -3.890 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 56 8.369 -2.642 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.708 -0.203 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.193 -1.087 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.021 -0.362 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.083 -1.175 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.336 -1.377 -5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.372 -2.776 -5.469 1.00 0.00 H new ATOM 501 N CYS A 57 9.774 -5.811 -2.938 1.00 0.00 N ATOM 502 CA CYS A 57 8.996 -6.719 -2.102 1.00 0.00 C ATOM 503 C CYS A 57 9.760 -7.073 -0.830 1.00 0.00 C ATOM 504 O CYS A 57 9.165 -7.267 0.230 1.00 0.00 O ATOM 505 CB CYS A 57 8.661 -7.995 -2.876 1.00 0.00 C ATOM 506 SG CYS A 57 10.111 -8.926 -3.423 1.00 0.00 S ATOM 0 H CYS A 57 10.104 -6.222 -3.811 1.00 0.00 H new ATOM 0 HA CYS A 57 8.071 -6.215 -1.824 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.045 -8.638 -2.247 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.061 -7.732 -3.747 1.00 0.00 H new ATOM 0 HG CYS A 57 10.732 -8.257 -4.348 1.00 0.00 H new ATOM 512 N GLN A 58 11.081 -7.157 -0.946 1.00 0.00 N ATOM 513 CA GLN A 58 11.929 -7.487 0.193 1.00 0.00 C ATOM 514 C GLN A 58 12.072 -6.287 1.122 1.00 0.00 C ATOM 515 O GLN A 58 12.282 -6.442 2.326 1.00 0.00 O ATOM 516 CB GLN A 58 13.306 -7.949 -0.288 1.00 0.00 C ATOM 517 CG GLN A 58 14.170 -8.540 0.815 1.00 0.00 C ATOM 518 CD GLN A 58 15.496 -9.071 0.301 1.00 0.00 C ATOM 519 OE1 GLN A 58 16.030 -8.437 -0.738 1.00 0.00 O flip ATOM 520 NE2 GLN A 58 16.037 -10.039 0.837 1.00 0.00 N flip ATOM 0 H GLN A 58 11.587 -7.001 -1.818 1.00 0.00 H new ATOM 0 HA GLN A 58 11.459 -8.299 0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.176 -8.693 -1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.829 -7.103 -0.733 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.357 -7.778 1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.625 -9.348 1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.592 -10.496 1.633 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.930 -10.384 0.485 1.00 0.00 H new ATOM 529 N ARG A 59 11.956 -5.090 0.554 1.00 0.00 N ATOM 530 CA ARG A 59 12.065 -3.860 1.331 1.00 0.00 C ATOM 531 C ARG A 59 10.842 -3.678 2.225 1.00 0.00 C ATOM 532 O ARG A 59 10.950 -3.209 3.356 1.00 0.00 O ATOM 533 CB ARG A 59 12.216 -2.656 0.398 1.00 0.00 C ATOM 534 CG ARG A 59 13.437 -2.724 -0.500 1.00 0.00 C ATOM 535 CD ARG A 59 14.723 -2.641 0.300 1.00 0.00 C ATOM 536 NE ARG A 59 14.781 -1.436 1.122 1.00 0.00 N ATOM 537 CZ ARG A 59 15.873 -0.687 1.256 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.984 -1.006 0.609 1.00 0.00 N ATOM 539 NH2 ARG A 59 15.850 0.387 2.035 1.00 0.00 N ATOM 0 H ARG A 59 11.787 -4.946 -0.441 1.00 0.00 H new ATOM 0 HA ARG A 59 12.950 -3.931 1.964 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.324 -2.576 -0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.269 -1.748 0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.420 -3.654 -1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.404 -1.909 -1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.809 -3.520 0.939 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.574 -2.657 -0.380 1.00 0.00 H new ATOM 0 HE ARG A 59 13.938 -1.152 1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 59 17.005 -1.828 0.006 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.819 -0.430 0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.995 0.639 2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.687 0.961 2.137 1.00 0.00 H new ATOM 553 N LEU A 60 9.678 -4.048 1.701 1.00 0.00 N ATOM 554 CA LEU A 60 8.430 -3.941 2.448 1.00 0.00 C ATOM 555 C LEU A 60 8.292 -5.100 3.432 1.00 0.00 C ATOM 556 O LEU A 60 7.695 -4.956 4.499 1.00 0.00 O ATOM 557 CB LEU A 60 7.237 -3.931 1.487 1.00 0.00 C ATOM 558 CG LEU A 60 7.221 -2.782 0.475 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.217 -3.060 -0.633 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.895 -1.467 1.168 1.00 0.00 C ATOM 0 H LEU A 60 9.573 -4.426 0.759 1.00 0.00 H new ATOM 0 HA LEU A 60 8.445 -3.006 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.224 -4.874 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.319 -3.889 2.074 1.00 0.00 H new ATOM 0 HG LEU A 60 8.213 -2.703 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.220 -2.233 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.490 -3.981 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.221 -3.166 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.888 -0.661 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.915 -1.537 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.649 -1.259 1.928 1.00 0.00 H new ATOM 572 N ARG A 61 8.850 -6.250 3.062 1.00 0.00 N ATOM 573 CA ARG A 61 8.788 -7.441 3.903 1.00 0.00 C ATOM 574 C ARG A 61 9.537 -7.242 5.219 1.00 0.00 C ATOM 575 O ARG A 61 8.989 -7.489 6.294 1.00 0.00 O ATOM 576 CB ARG A 61 9.366 -8.646 3.158 1.00 0.00 C ATOM 577 CG ARG A 61 9.272 -9.945 3.943 1.00 0.00 C ATOM 578 CD ARG A 61 9.939 -11.094 3.205 1.00 0.00 C ATOM 579 NE ARG A 61 9.331 -11.333 1.898 1.00 0.00 N ATOM 580 CZ ARG A 61 9.578 -12.408 1.155 1.00 0.00 C ATOM 581 NH1 ARG A 61 10.419 -13.338 1.587 1.00 0.00 N ATOM 582 NH2 ARG A 61 8.983 -12.553 -0.020 1.00 0.00 N ATOM 0 H ARG A 61 9.351 -6.382 2.183 1.00 0.00 H new ATOM 0 HA ARG A 61 7.739 -7.624 4.135 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.840 -8.764 2.211 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.411 -8.449 2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.742 -9.816 4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.225 -10.187 4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.999 -10.875 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.871 -12.000 3.807 1.00 0.00 H new ATOM 0 HE ARG A 61 8.681 -10.636 1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.878 -13.230 2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.606 -14.161 1.015 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.335 -11.840 -0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.173 -13.378 -0.589 1.00 0.00 H new ATOM 596 N GLU A 62 10.790 -6.803 5.130 1.00 0.00 N ATOM 597 CA GLU A 62 11.610 -6.584 6.318 1.00 0.00 C ATOM 598 C GLU A 62 10.881 -5.724 7.346 1.00 0.00 C ATOM 599 O GLU A 62 10.931 -6.002 8.545 1.00 0.00 O ATOM 600 CB GLU A 62 12.945 -5.940 5.940 1.00 0.00 C ATOM 601 CG GLU A 62 12.792 -4.619 5.213 1.00 0.00 C ATOM 602 CD GLU A 62 14.096 -3.855 5.103 1.00 0.00 C ATOM 603 OE1 GLU A 62 14.449 -3.140 6.064 1.00 0.00 O ATOM 604 OE2 GLU A 62 14.766 -3.972 4.055 1.00 0.00 O ATOM 0 H GLU A 62 11.259 -6.592 4.249 1.00 0.00 H new ATOM 0 HA GLU A 62 11.804 -7.557 6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.533 -5.783 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.507 -6.630 5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.399 -4.803 4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.059 -4.004 5.736 1.00 0.00 H new ATOM 611 N ASN A 63 10.204 -4.681 6.877 1.00 0.00 N ATOM 612 CA ASN A 63 9.462 -3.795 7.767 1.00 0.00 C ATOM 613 C ASN A 63 7.999 -4.215 7.847 1.00 0.00 C ATOM 614 O ASN A 63 7.166 -3.753 7.067 1.00 0.00 O ATOM 615 CB ASN A 63 9.562 -2.342 7.296 1.00 0.00 C ATOM 616 CG ASN A 63 10.957 -1.771 7.463 1.00 0.00 C ATOM 617 OD1 ASN A 63 11.771 -1.885 6.421 1.00 0.00 O flip ATOM 618 ND2 ASN A 63 11.296 -1.230 8.514 1.00 0.00 N flip ATOM 0 H ASN A 63 10.154 -4.429 5.890 1.00 0.00 H new ATOM 0 HA ASN A 63 9.905 -3.871 8.760 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.272 -2.283 6.247 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.854 -1.732 7.857 1.00 0.00 H new ATOM 0 HD21 ASN A 63 10.637 -1.165 9.290 1.00 0.00 H new ATOM 0 HD22 ASN A 63 12.236 -0.847 8.610 1.00 0.00 H new ATOM 625 N ASP A 64 7.696 -5.105 8.786 1.00 0.00 N ATOM 626 CA ASP A 64 6.332 -5.584 8.973 1.00 0.00 C ATOM 627 C ASP A 64 5.397 -4.435 9.338 1.00 0.00 C ATOM 628 O ASP A 64 5.387 -3.964 10.475 1.00 0.00 O ATOM 629 CB ASP A 64 6.292 -6.662 10.059 1.00 0.00 C ATOM 630 CG ASP A 64 6.982 -6.225 11.336 1.00 0.00 C ATOM 631 OD1 ASP A 64 8.224 -6.342 11.411 1.00 0.00 O ATOM 632 OD2 ASP A 64 6.282 -5.766 12.264 1.00 0.00 O ATOM 0 H ASP A 64 8.377 -5.509 9.429 1.00 0.00 H new ATOM 0 HA ASP A 64 5.992 -6.017 8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.254 -6.914 10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.768 -7.568 9.685 1.00 0.00 H new ATOM 637 N ILE A 65 4.614 -3.984 8.361 1.00 0.00 N ATOM 638 CA ILE A 65 3.675 -2.888 8.579 1.00 0.00 C ATOM 639 C ILE A 65 2.256 -3.298 8.203 1.00 0.00 C ATOM 640 O ILE A 65 1.969 -3.584 7.040 1.00 0.00 O ATOM 641 CB ILE A 65 4.068 -1.639 7.762 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.496 -1.199 8.099 1.00 0.00 C ATOM 643 CG2 ILE A 65 3.083 -0.506 8.013 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.695 -0.819 9.552 1.00 0.00 C ATOM 0 H ILE A 65 4.611 -4.360 7.413 1.00 0.00 H new ATOM 0 HA ILE A 65 3.713 -2.646 9.641 1.00 0.00 H new ATOM 0 HB ILE A 65 4.033 -1.896 6.703 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.183 -2.007 7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.761 -0.348 7.472 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.376 0.367 7.429 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.082 -0.822 7.717 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.085 -0.250 9.073 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.731 -0.519 9.711 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.034 0.010 9.805 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.463 -1.674 10.187 1.00 0.00 H new ATOM 656 N VAL A 66 1.372 -3.322 9.193 1.00 0.00 N ATOM 657 CA VAL A 66 -0.020 -3.691 8.966 1.00 0.00 C ATOM 658 C VAL A 66 -0.765 -2.566 8.251 1.00 0.00 C ATOM 659 O VAL A 66 -0.299 -1.427 8.214 1.00 0.00 O ATOM 660 CB VAL A 66 -0.735 -4.023 10.294 1.00 0.00 C ATOM 661 CG1 VAL A 66 -0.830 -2.789 11.178 1.00 0.00 C ATOM 662 CG2 VAL A 66 -2.115 -4.613 10.036 1.00 0.00 C ATOM 0 H VAL A 66 1.594 -3.090 10.161 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.025 -4.581 8.337 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.142 -4.772 10.819 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.337 -3.046 12.108 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.172 -2.423 11.400 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.393 -2.013 10.660 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.598 -4.838 10.987 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.720 -3.895 9.483 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.016 -5.529 9.453 1.00 0.00 H new ATOM 672 N GLY A 67 -1.920 -2.893 7.680 1.00 0.00 N ATOM 673 CA GLY A 67 -2.707 -1.900 6.973 1.00 0.00 C ATOM 674 C GLY A 67 -3.165 -0.767 7.872 1.00 0.00 C ATOM 675 O GLY A 67 -3.541 0.302 7.392 1.00 0.00 O ATOM 0 H GLY A 67 -2.325 -3.829 7.695 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.117 -1.491 6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.579 -2.382 6.530 1.00 0.00 H new ATOM 679 N ASP A 68 -3.133 -1.004 9.180 1.00 0.00 N ATOM 680 CA ASP A 68 -3.549 0.000 10.152 1.00 0.00 C ATOM 681 C ASP A 68 -2.472 1.065 10.349 1.00 0.00 C ATOM 682 O ASP A 68 -2.729 2.117 10.937 1.00 0.00 O ATOM 683 CB ASP A 68 -3.874 -0.666 11.492 1.00 0.00 C ATOM 684 CG ASP A 68 -4.387 0.320 12.522 1.00 0.00 C ATOM 685 OD1 ASP A 68 -5.616 0.535 12.577 1.00 0.00 O ATOM 686 OD2 ASP A 68 -3.561 0.878 13.274 1.00 0.00 O ATOM 0 H ASP A 68 -2.823 -1.884 9.591 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.443 0.489 9.765 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.621 -1.444 11.335 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.979 -1.156 11.877 1.00 0.00 H new ATOM 691 N LEU A 69 -1.269 0.791 9.854 1.00 0.00 N ATOM 692 CA LEU A 69 -0.157 1.727 9.989 1.00 0.00 C ATOM 693 C LEU A 69 0.160 2.421 8.666 1.00 0.00 C ATOM 694 O LEU A 69 0.866 3.428 8.642 1.00 0.00 O ATOM 695 CB LEU A 69 1.089 1.000 10.497 1.00 0.00 C ATOM 696 CG LEU A 69 0.936 0.298 11.847 1.00 0.00 C ATOM 697 CD1 LEU A 69 2.187 -0.505 12.167 1.00 0.00 C ATOM 698 CD2 LEU A 69 0.656 1.310 12.949 1.00 0.00 C ATOM 0 H LEU A 69 -1.039 -0.069 9.357 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.456 2.488 10.709 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.385 0.260 9.754 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.904 1.720 10.572 1.00 0.00 H new ATOM 0 HG LEU A 69 0.089 -0.385 11.788 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.065 -1.000 13.131 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.346 -1.254 11.392 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.047 0.163 12.208 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.550 0.791 13.902 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.482 2.018 13.011 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.266 1.847 12.724 1.00 0.00 H new ATOM 710 N LEU A 70 -0.359 1.876 7.568 1.00 0.00 N ATOM 711 CA LEU A 70 -0.118 2.452 6.246 1.00 0.00 C ATOM 712 C LEU A 70 -0.480 3.940 6.207 1.00 0.00 C ATOM 713 O LEU A 70 0.330 4.760 5.775 1.00 0.00 O ATOM 714 CB LEU A 70 -0.894 1.686 5.168 1.00 0.00 C ATOM 715 CG LEU A 70 -0.474 0.227 4.973 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.340 -0.438 3.914 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.997 0.138 4.593 1.00 0.00 C ATOM 0 H LEU A 70 -0.946 1.042 7.566 1.00 0.00 H new ATOM 0 HA LEU A 70 0.948 2.361 6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.954 1.711 5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.779 2.210 4.219 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.616 -0.300 5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.028 -1.475 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.384 -0.408 4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.229 0.092 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.276 -0.907 4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.166 0.681 3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.604 0.577 5.385 1.00 0.00 H new ATOM 729 N PRO A 71 -1.697 4.320 6.653 1.00 0.00 N ATOM 730 CA PRO A 71 -2.125 5.716 6.660 1.00 0.00 C ATOM 731 C PRO A 71 -1.721 6.439 7.941 1.00 0.00 C ATOM 732 O PRO A 71 -1.873 7.656 8.054 1.00 0.00 O ATOM 733 CB PRO A 71 -3.642 5.591 6.574 1.00 0.00 C ATOM 734 CG PRO A 71 -3.955 4.344 7.329 1.00 0.00 C ATOM 735 CD PRO A 71 -2.760 3.431 7.174 1.00 0.00 C ATOM 0 HA PRO A 71 -1.674 6.298 5.856 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.138 6.457 7.014 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.977 5.524 5.539 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.140 4.564 8.380 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.856 3.871 6.939 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.474 2.982 8.125 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.969 2.613 6.485 1.00 0.00 H new ATOM 743 N GLU A 72 -1.204 5.680 8.902 1.00 0.00 N ATOM 744 CA GLU A 72 -0.782 6.241 10.182 1.00 0.00 C ATOM 745 C GLU A 72 0.624 6.827 10.092 1.00 0.00 C ATOM 746 O GLU A 72 0.970 7.748 10.832 1.00 0.00 O ATOM 747 CB GLU A 72 -0.829 5.163 11.268 1.00 0.00 C ATOM 748 CG GLU A 72 -0.512 5.682 12.662 1.00 0.00 C ATOM 749 CD GLU A 72 -1.573 6.633 13.186 1.00 0.00 C ATOM 750 OE1 GLU A 72 -1.500 7.838 12.866 1.00 0.00 O ATOM 751 OE2 GLU A 72 -2.473 6.172 13.918 1.00 0.00 O ATOM 0 H GLU A 72 -1.067 4.673 8.819 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.470 7.046 10.441 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.821 4.711 11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.121 4.374 11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.415 4.839 13.346 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.451 6.192 12.646 1.00 0.00 H new ATOM 758 N LEU A 73 1.432 6.289 9.183 1.00 0.00 N ATOM 759 CA LEU A 73 2.803 6.757 9.009 1.00 0.00 C ATOM 760 C LEU A 73 2.884 7.845 7.942 1.00 0.00 C ATOM 761 O LEU A 73 1.960 8.019 7.146 1.00 0.00 O ATOM 762 CB LEU A 73 3.719 5.586 8.645 1.00 0.00 C ATOM 763 CG LEU A 73 3.785 4.470 9.690 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.605 3.300 9.172 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.369 4.993 10.994 1.00 0.00 C ATOM 0 H LEU A 73 1.162 5.530 8.557 1.00 0.00 H new ATOM 0 HA LEU A 73 3.136 7.188 9.953 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.381 5.160 7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.726 5.969 8.480 1.00 0.00 H new ATOM 0 HG LEU A 73 2.771 4.121 9.882 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.640 2.517 9.929 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.146 2.907 8.265 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.618 3.636 8.950 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.408 4.185 11.725 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.376 5.371 10.816 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.742 5.798 11.376 1.00 0.00 H new ATOM 777 N CYS A 74 3.996 8.572 7.935 1.00 0.00 N ATOM 778 CA CYS A 74 4.204 9.651 6.975 1.00 0.00 C ATOM 779 C CYS A 74 4.996 9.166 5.763 1.00 0.00 C ATOM 780 O CYS A 74 5.146 7.963 5.547 1.00 0.00 O ATOM 781 CB CYS A 74 4.932 10.818 7.644 1.00 0.00 C ATOM 782 SG CYS A 74 6.514 10.370 8.396 1.00 0.00 S ATOM 0 H CYS A 74 4.770 8.433 8.585 1.00 0.00 H new ATOM 0 HA CYS A 74 3.227 9.988 6.629 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.103 11.598 6.902 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.285 11.244 8.411 1.00 0.00 H new ATOM 0 HG CYS A 74 7.053 11.424 8.933 1.00 0.00 H new ATOM 788 N LEU A 75 5.500 10.112 4.976 1.00 0.00 N ATOM 789 CA LEU A 75 6.271 9.786 3.780 1.00 0.00 C ATOM 790 C LEU A 75 7.700 9.374 4.129 1.00 0.00 C ATOM 791 O LEU A 75 8.454 8.934 3.262 1.00 0.00 O ATOM 792 CB LEU A 75 6.290 10.971 2.810 1.00 0.00 C ATOM 793 CG LEU A 75 5.055 11.110 1.911 1.00 0.00 C ATOM 794 CD1 LEU A 75 4.923 9.907 0.991 1.00 0.00 C ATOM 795 CD2 LEU A 75 3.793 11.281 2.744 1.00 0.00 C ATOM 0 H LEU A 75 5.388 11.112 5.145 1.00 0.00 H new ATOM 0 HA LEU A 75 5.782 8.939 3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.402 11.889 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.172 10.884 2.175 1.00 0.00 H new ATOM 0 HG LEU A 75 5.184 12.002 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.041 10.025 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.810 9.831 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.823 9.001 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.931 11.377 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.661 10.411 3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.881 12.177 3.358 1.00 0.00 H new ATOM 807 N GLN A 76 8.070 9.524 5.396 1.00 0.00 N ATOM 808 CA GLN A 76 9.412 9.164 5.845 1.00 0.00 C ATOM 809 C GLN A 76 9.588 7.648 5.874 1.00 0.00 C ATOM 810 O GLN A 76 10.594 7.120 5.393 1.00 0.00 O ATOM 811 CB GLN A 76 9.684 9.759 7.230 1.00 0.00 C ATOM 812 CG GLN A 76 11.111 9.556 7.720 1.00 0.00 C ATOM 813 CD GLN A 76 11.346 8.173 8.301 1.00 0.00 C ATOM 814 OE1 GLN A 76 10.314 7.602 8.910 1.00 0.00 O flip ATOM 815 NE2 GLN A 76 12.447 7.629 8.208 1.00 0.00 N flip ATOM 0 H GLN A 76 7.463 9.891 6.129 1.00 0.00 H new ATOM 0 HA GLN A 76 10.132 9.576 5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.468 10.827 7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.997 9.312 7.948 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.801 9.718 6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.340 10.306 8.477 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.212 8.105 7.731 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.593 6.702 8.608 1.00 0.00 H new ATOM 824 N ASP A 77 8.607 6.952 6.438 1.00 0.00 N ATOM 825 CA ASP A 77 8.654 5.496 6.530 1.00 0.00 C ATOM 826 C ASP A 77 8.706 4.862 5.146 1.00 0.00 C ATOM 827 O ASP A 77 9.655 4.150 4.815 1.00 0.00 O ATOM 828 CB ASP A 77 7.435 4.971 7.287 1.00 0.00 C ATOM 829 CG ASP A 77 7.461 3.464 7.443 1.00 0.00 C ATOM 830 OD1 ASP A 77 8.017 2.981 8.453 1.00 0.00 O ATOM 831 OD2 ASP A 77 6.925 2.765 6.558 1.00 0.00 O ATOM 0 H ASP A 77 7.769 7.372 6.839 1.00 0.00 H new ATOM 0 HA ASP A 77 9.560 5.225 7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.394 5.436 8.272 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.528 5.264 6.758 1.00 0.00 H new ATOM 836 N CYS A 78 7.676 5.123 4.345 1.00 0.00 N ATOM 837 CA CYS A 78 7.594 4.579 2.993 1.00 0.00 C ATOM 838 C CYS A 78 8.889 4.823 2.230 1.00 0.00 C ATOM 839 O CYS A 78 9.372 3.948 1.512 1.00 0.00 O ATOM 840 CB CYS A 78 6.422 5.205 2.238 1.00 0.00 C ATOM 841 SG CYS A 78 6.570 6.984 1.980 1.00 0.00 S ATOM 0 H CYS A 78 6.885 5.710 4.610 1.00 0.00 H new ATOM 0 HA CYS A 78 7.435 3.504 3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.327 4.716 1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.502 5.005 2.788 1.00 0.00 H new ATOM 0 HG CYS A 78 7.472 7.465 2.783 1.00 0.00 H new ATOM 847 N GLN A 79 9.442 6.020 2.388 1.00 0.00 N ATOM 848 CA GLN A 79 10.688 6.378 1.721 1.00 0.00 C ATOM 849 C GLN A 79 11.771 5.354 2.042 1.00 0.00 C ATOM 850 O GLN A 79 12.499 4.907 1.156 1.00 0.00 O ATOM 851 CB GLN A 79 11.141 7.774 2.150 1.00 0.00 C ATOM 852 CG GLN A 79 12.316 8.304 1.346 1.00 0.00 C ATOM 853 CD GLN A 79 12.759 9.682 1.797 1.00 0.00 C ATOM 854 OE1 GLN A 79 12.624 10.038 2.968 1.00 0.00 O ATOM 855 NE2 GLN A 79 13.291 10.467 0.868 1.00 0.00 N ATOM 0 H GLN A 79 9.048 6.758 2.971 1.00 0.00 H new ATOM 0 HA GLN A 79 10.516 6.383 0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.303 8.465 2.053 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.414 7.750 3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.153 7.611 1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.042 8.342 0.292 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.384 10.132 -0.091 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.607 11.405 1.113 1.00 0.00 H new ATOM 864 N ASP A 80 11.869 4.988 3.317 1.00 0.00 N ATOM 865 CA ASP A 80 12.851 4.002 3.755 1.00 0.00 C ATOM 866 C ASP A 80 12.547 2.645 3.130 1.00 0.00 C ATOM 867 O ASP A 80 13.446 1.832 2.907 1.00 0.00 O ATOM 868 CB ASP A 80 12.843 3.887 5.281 1.00 0.00 C ATOM 869 CG ASP A 80 13.850 2.875 5.790 1.00 0.00 C ATOM 870 OD1 ASP A 80 15.029 3.246 5.966 1.00 0.00 O ATOM 871 OD2 ASP A 80 13.460 1.709 6.012 1.00 0.00 O ATOM 0 H ASP A 80 11.281 5.359 4.064 1.00 0.00 H new ATOM 0 HA ASP A 80 13.840 4.328 3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.060 4.862 5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.845 3.603 5.616 1.00 0.00 H new ATOM 876 N LEU A 81 11.269 2.412 2.852 1.00 0.00 N ATOM 877 CA LEU A 81 10.818 1.166 2.244 1.00 0.00 C ATOM 878 C LEU A 81 11.147 1.137 0.755 1.00 0.00 C ATOM 879 O LEU A 81 11.056 0.093 0.110 1.00 0.00 O ATOM 880 CB LEU A 81 9.309 0.998 2.453 1.00 0.00 C ATOM 881 CG LEU A 81 8.890 0.115 3.636 1.00 0.00 C ATOM 882 CD1 LEU A 81 9.831 0.295 4.820 1.00 0.00 C ATOM 883 CD2 LEU A 81 7.459 0.430 4.048 1.00 0.00 C ATOM 0 H LEU A 81 10.520 3.078 3.041 1.00 0.00 H new ATOM 0 HA LEU A 81 11.341 0.340 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.868 1.986 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.880 0.579 1.543 1.00 0.00 H new ATOM 0 HG LEU A 81 8.947 -0.925 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.508 -0.344 5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.844 0.021 4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.816 1.336 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.174 -0.203 4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.387 1.477 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.789 0.242 3.209 1.00 0.00 H new ATOM 895 N CYS A 82 11.521 2.292 0.214 1.00 0.00 N ATOM 896 CA CYS A 82 11.862 2.400 -1.200 1.00 0.00 C ATOM 897 C CYS A 82 13.375 2.379 -1.396 1.00 0.00 C ATOM 898 O CYS A 82 14.135 2.339 -0.429 1.00 0.00 O ATOM 899 CB CYS A 82 11.274 3.682 -1.791 1.00 0.00 C ATOM 900 SG CYS A 82 9.474 3.798 -1.655 1.00 0.00 S ATOM 0 H CYS A 82 11.596 3.167 0.734 1.00 0.00 H new ATOM 0 HA CYS A 82 11.435 1.542 -1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 82 11.722 4.540 -1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 82 11.553 3.746 -2.843 1.00 0.00 H new ATOM 0 HG CYS A 82 9.137 3.873 -0.402 1.00 0.00 H new ATOM 906 N ASP A 83 13.803 2.406 -2.654 1.00 0.00 N ATOM 907 CA ASP A 83 15.225 2.388 -2.980 1.00 0.00 C ATOM 908 C ASP A 83 15.909 3.668 -2.509 1.00 0.00 C ATOM 909 O ASP A 83 17.129 3.706 -2.339 1.00 0.00 O ATOM 910 CB ASP A 83 15.418 2.214 -4.487 1.00 0.00 C ATOM 911 CG ASP A 83 16.880 2.104 -4.876 1.00 0.00 C ATOM 912 OD1 ASP A 83 17.414 0.975 -4.865 1.00 0.00 O ATOM 913 OD2 ASP A 83 17.491 3.147 -5.193 1.00 0.00 O ATOM 0 H ASP A 83 13.185 2.440 -3.465 1.00 0.00 H new ATOM 0 HA ASP A 83 15.682 1.545 -2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 83 14.889 1.320 -4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.969 3.060 -5.008 1.00 0.00 H new ATOM 918 N GLY A 84 15.115 4.713 -2.299 1.00 0.00 N ATOM 919 CA GLY A 84 15.658 5.983 -1.851 1.00 0.00 C ATOM 920 C GLY A 84 15.064 7.157 -2.601 1.00 0.00 C ATOM 921 O GLY A 84 15.226 8.309 -2.199 1.00 0.00 O ATOM 0 H GLY A 84 14.104 4.703 -2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.467 6.102 -0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.740 5.980 -1.983 1.00 0.00 H new ATOM 925 N ASP A 85 14.372 6.861 -3.696 1.00 0.00 N ATOM 926 CA ASP A 85 13.742 7.892 -4.510 1.00 0.00 C ATOM 927 C ASP A 85 12.416 8.330 -3.896 1.00 0.00 C ATOM 928 O ASP A 85 11.558 7.500 -3.591 1.00 0.00 O ATOM 929 CB ASP A 85 13.523 7.375 -5.933 1.00 0.00 C ATOM 930 CG ASP A 85 12.840 8.393 -6.823 1.00 0.00 C ATOM 931 OD1 ASP A 85 13.434 9.465 -7.066 1.00 0.00 O ATOM 932 OD2 ASP A 85 11.711 8.119 -7.277 1.00 0.00 O ATOM 0 H ASP A 85 14.233 5.911 -4.041 1.00 0.00 H new ATOM 0 HA ASP A 85 14.404 8.757 -4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.484 7.103 -6.369 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.921 6.467 -5.897 1.00 0.00 H new ATOM 937 N LEU A 86 12.255 9.637 -3.715 1.00 0.00 N ATOM 938 CA LEU A 86 11.038 10.185 -3.127 1.00 0.00 C ATOM 939 C LEU A 86 9.839 9.985 -4.049 1.00 0.00 C ATOM 940 O LEU A 86 8.753 9.621 -3.595 1.00 0.00 O ATOM 941 CB LEU A 86 11.220 11.673 -2.821 1.00 0.00 C ATOM 942 CG LEU A 86 10.032 12.344 -2.128 1.00 0.00 C ATOM 943 CD1 LEU A 86 9.797 11.733 -0.754 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.264 13.843 -2.014 1.00 0.00 C ATOM 0 H LEU A 86 12.953 10.337 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 86 10.845 9.649 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.102 11.793 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.420 12.198 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 86 9.140 12.176 -2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.948 12.224 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.588 10.669 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.686 11.868 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.411 14.307 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.166 14.028 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.382 14.270 -3.010 1.00 0.00 H new ATOM 956 N ASN A 87 10.041 10.229 -5.342 1.00 0.00 N ATOM 957 CA ASN A 87 8.975 10.075 -6.331 1.00 0.00 C ATOM 958 C ASN A 87 8.282 8.728 -6.173 1.00 0.00 C ATOM 959 O ASN A 87 7.054 8.638 -6.206 1.00 0.00 O ATOM 960 CB ASN A 87 9.549 10.198 -7.743 1.00 0.00 C ATOM 961 CG ASN A 87 8.498 10.565 -8.775 1.00 0.00 C ATOM 962 OD1 ASN A 87 7.478 11.303 -8.349 1.00 0.00 O flip ATOM 963 ND2 ASN A 87 8.603 10.191 -9.943 1.00 0.00 N flip ATOM 0 H ASN A 87 10.933 10.534 -5.730 1.00 0.00 H new ATOM 0 HA ASN A 87 8.241 10.865 -6.169 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.335 10.954 -7.746 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.014 9.253 -8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.403 9.625 -10.227 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.890 10.447 -10.626 1.00 0.00 H new ATOM 970 N LYS A 88 9.084 7.685 -6.004 1.00 0.00 N ATOM 971 CA LYS A 88 8.571 6.332 -5.835 1.00 0.00 C ATOM 972 C LYS A 88 7.648 6.250 -4.621 1.00 0.00 C ATOM 973 O LYS A 88 6.544 5.707 -4.702 1.00 0.00 O ATOM 974 CB LYS A 88 9.741 5.360 -5.677 1.00 0.00 C ATOM 975 CG LYS A 88 9.325 3.907 -5.511 1.00 0.00 C ATOM 976 CD LYS A 88 8.841 3.311 -6.824 1.00 0.00 C ATOM 977 CE LYS A 88 8.725 1.798 -6.738 1.00 0.00 C ATOM 978 NZ LYS A 88 10.022 1.159 -6.382 1.00 0.00 N ATOM 0 H LYS A 88 10.102 7.752 -5.980 1.00 0.00 H new ATOM 0 HA LYS A 88 7.992 6.062 -6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.389 5.444 -6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.332 5.658 -4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.168 3.327 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.533 3.837 -4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.872 3.737 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.532 3.579 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.974 1.534 -5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.378 1.406 -7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.972 0.139 -6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.785 1.584 -6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.216 1.307 -5.371 1.00 0.00 H new ATOM 992 N ALA A 89 8.106 6.798 -3.499 1.00 0.00 N ATOM 993 CA ALA A 89 7.326 6.784 -2.267 1.00 0.00 C ATOM 994 C ALA A 89 6.018 7.553 -2.430 1.00 0.00 C ATOM 995 O ALA A 89 5.007 7.208 -1.820 1.00 0.00 O ATOM 996 CB ALA A 89 8.138 7.358 -1.118 1.00 0.00 C ATOM 0 H ALA A 89 9.013 7.257 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 89 7.079 5.747 -2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.541 7.340 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.038 6.760 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.418 8.386 -1.348 1.00 0.00 H new ATOM 1002 N ILE A 90 6.045 8.599 -3.252 1.00 0.00 N ATOM 1003 CA ILE A 90 4.856 9.407 -3.491 1.00 0.00 C ATOM 1004 C ILE A 90 3.748 8.561 -4.110 1.00 0.00 C ATOM 1005 O ILE A 90 2.618 8.550 -3.621 1.00 0.00 O ATOM 1006 CB ILE A 90 5.160 10.609 -4.410 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.160 11.549 -3.732 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.876 11.349 -4.762 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.549 12.743 -4.578 1.00 0.00 C ATOM 0 H ILE A 90 6.874 8.905 -3.761 1.00 0.00 H new ATOM 0 HA ILE A 90 4.525 9.788 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 90 5.603 10.241 -5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.732 11.904 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.059 10.987 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.109 12.194 -5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.196 10.672 -5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.403 11.712 -3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.260 13.361 -4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.008 12.398 -5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.660 13.330 -4.809 1.00 0.00 H new ATOM 1021 N LYS A 91 4.081 7.851 -5.186 1.00 0.00 N ATOM 1022 CA LYS A 91 3.115 6.991 -5.863 1.00 0.00 C ATOM 1023 C LYS A 91 2.530 5.980 -4.883 1.00 0.00 C ATOM 1024 O LYS A 91 1.346 5.647 -4.947 1.00 0.00 O ATOM 1025 CB LYS A 91 3.777 6.267 -7.038 1.00 0.00 C ATOM 1026 CG LYS A 91 4.188 7.190 -8.175 1.00 0.00 C ATOM 1027 CD LYS A 91 2.981 7.830 -8.850 1.00 0.00 C ATOM 1028 CE LYS A 91 2.083 6.789 -9.502 1.00 0.00 C ATOM 1029 NZ LYS A 91 2.809 5.995 -10.532 1.00 0.00 N ATOM 0 H LYS A 91 5.010 7.855 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 91 2.307 7.613 -6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.658 5.737 -6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.089 5.515 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.845 7.970 -7.790 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.760 6.626 -8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.409 8.394 -8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.320 8.541 -9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.690 6.119 -8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.228 7.284 -9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.124 5.470 -11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.359 6.635 -11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.452 5.324 -10.064 1.00 0.00 H new ATOM 1043 N PHE A 92 3.375 5.493 -3.980 1.00 0.00 N ATOM 1044 CA PHE A 92 2.955 4.530 -2.967 1.00 0.00 C ATOM 1045 C PHE A 92 1.821 5.109 -2.120 1.00 0.00 C ATOM 1046 O PHE A 92 0.727 4.542 -2.045 1.00 0.00 O ATOM 1047 CB PHE A 92 4.153 4.169 -2.081 1.00 0.00 C ATOM 1048 CG PHE A 92 3.840 3.218 -0.959 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.341 1.950 -1.217 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.066 3.588 0.357 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.074 1.072 -0.184 1.00 0.00 C ATOM 1052 CE2 PHE A 92 3.798 2.716 1.394 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.302 1.455 1.123 1.00 0.00 C ATOM 0 H PHE A 92 4.360 5.751 -3.929 1.00 0.00 H new ATOM 0 HA PHE A 92 2.587 3.629 -3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.930 3.729 -2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.564 5.086 -1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.159 1.645 -2.237 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.457 4.571 0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.687 0.087 -0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.976 3.019 2.415 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.093 0.770 1.932 1.00 0.00 H new ATOM 1063 N LYS A 93 2.094 6.250 -1.497 1.00 0.00 N ATOM 1064 CA LYS A 93 1.113 6.923 -0.654 1.00 0.00 C ATOM 1065 C LYS A 93 -0.128 7.307 -1.454 1.00 0.00 C ATOM 1066 O LYS A 93 -1.226 7.390 -0.907 1.00 0.00 O ATOM 1067 CB LYS A 93 1.735 8.169 -0.017 1.00 0.00 C ATOM 1068 CG LYS A 93 0.801 8.909 0.930 1.00 0.00 C ATOM 1069 CD LYS A 93 0.363 8.026 2.089 1.00 0.00 C ATOM 1070 CE LYS A 93 -0.419 8.816 3.125 1.00 0.00 C ATOM 1071 NZ LYS A 93 0.427 9.845 3.793 1.00 0.00 N ATOM 0 H LYS A 93 2.992 6.730 -1.561 1.00 0.00 H new ATOM 0 HA LYS A 93 0.809 6.232 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.632 7.877 0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.050 8.850 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.303 9.796 1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.076 9.253 0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.252 7.208 1.713 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.239 7.577 2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.270 9.301 2.646 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.821 8.134 3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.036 10.159 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.356 9.437 4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.552 10.658 3.157 1.00 0.00 H new ATOM 1085 N ILE A 94 0.055 7.544 -2.750 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.054 7.918 -3.621 1.00 0.00 C ATOM 1087 C ILE A 94 -2.103 6.815 -3.681 1.00 0.00 C ATOM 1088 O ILE A 94 -3.257 7.022 -3.305 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.574 8.224 -5.052 1.00 0.00 C ATOM 1090 CG1 ILE A 94 0.060 9.616 -5.114 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -1.735 8.112 -6.034 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.696 9.933 -6.450 1.00 0.00 C ATOM 0 H ILE A 94 0.959 7.484 -3.219 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.495 8.818 -3.193 1.00 0.00 H new ATOM 0 HB ILE A 94 0.183 7.492 -5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.703 10.364 -4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.816 9.697 -4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.382 8.331 -7.042 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.141 7.101 -6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.513 8.824 -5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.125 10.935 -6.420 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.482 9.208 -6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.060 9.885 -7.234 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.698 5.649 -4.180 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.604 4.515 -4.291 1.00 0.00 C ATOM 1106 C LEU A 95 -3.307 4.273 -2.966 1.00 0.00 C ATOM 1107 O LEU A 95 -4.481 3.900 -2.932 1.00 0.00 O ATOM 1108 CB LEU A 95 -1.843 3.256 -4.716 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.036 3.388 -6.010 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -0.350 2.072 -6.344 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -1.931 3.829 -7.160 1.00 0.00 C ATOM 0 H LEU A 95 -0.751 5.468 -4.512 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.349 4.745 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.165 2.972 -3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.558 2.441 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.271 4.150 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.220 2.183 -7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.324 1.797 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.101 1.293 -6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.337 3.917 -8.070 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.720 3.092 -7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.378 4.795 -6.924 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.582 4.496 -1.876 1.00 0.00 N ATOM 1124 CA ILE A 96 -3.139 4.303 -0.548 1.00 0.00 C ATOM 1125 C ILE A 96 -4.086 5.441 -0.173 1.00 0.00 C ATOM 1126 O ILE A 96 -5.011 5.257 0.619 1.00 0.00 O ATOM 1127 CB ILE A 96 -2.030 4.186 0.518 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -1.061 3.061 0.150 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.636 3.944 1.894 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.150 2.979 1.057 1.00 0.00 C ATOM 0 H ILE A 96 -1.611 4.809 -1.888 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.700 3.369 -0.574 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.476 5.124 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.593 2.110 0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.726 3.204 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.839 3.864 2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.291 4.776 2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.212 3.019 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.791 2.158 0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.706 3.915 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.175 2.804 2.083 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.852 6.615 -0.751 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.684 7.782 -0.476 1.00 0.00 C ATOM 1144 C ASN A 97 -6.125 7.546 -0.922 1.00 0.00 C ATOM 1145 O ASN A 97 -7.056 7.676 -0.128 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.118 9.018 -1.177 1.00 0.00 C ATOM 1147 CG ASN A 97 -4.953 10.259 -0.925 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -4.716 10.997 0.031 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -5.936 10.494 -1.787 1.00 0.00 N ATOM 0 H ASN A 97 -3.094 6.784 -1.412 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.680 7.950 0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.099 9.193 -0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.064 8.831 -2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.531 11.314 -1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.096 9.854 -2.565 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.303 7.200 -2.194 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.638 6.954 -2.732 1.00 0.00 C ATOM 1158 C LYS A 98 -8.240 5.675 -2.159 1.00 0.00 C ATOM 1159 O LYS A 98 -9.452 5.584 -1.972 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.605 6.870 -4.259 1.00 0.00 C ATOM 1161 CG LYS A 98 -7.270 8.189 -4.936 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.770 8.362 -5.105 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.213 7.376 -6.119 1.00 0.00 C ATOM 1164 NZ LYS A 98 -5.852 7.531 -7.454 1.00 0.00 N ATOM 0 H LYS A 98 -5.546 7.084 -2.867 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.266 7.795 -2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.871 6.122 -4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.575 6.524 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.755 8.232 -5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.668 9.014 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.553 9.380 -5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.274 8.219 -4.145 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.137 7.521 -6.213 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.367 6.359 -5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.251 7.092 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.783 7.068 -7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.970 8.542 -7.667 1.00 0.00 H new ATOM 1178 N MET A 99 -7.390 4.689 -1.885 1.00 0.00 N ATOM 1179 CA MET A 99 -7.854 3.420 -1.333 1.00 0.00 C ATOM 1180 C MET A 99 -8.554 3.635 0.006 1.00 0.00 C ATOM 1181 O MET A 99 -9.699 3.223 0.191 1.00 0.00 O ATOM 1182 CB MET A 99 -6.681 2.451 -1.166 1.00 0.00 C ATOM 1183 CG MET A 99 -7.107 1.002 -0.969 1.00 0.00 C ATOM 1184 SD MET A 99 -7.835 0.698 0.653 1.00 0.00 S ATOM 1185 CE MET A 99 -8.334 -1.015 0.486 1.00 0.00 C ATOM 0 H MET A 99 -6.383 4.743 -2.035 1.00 0.00 H new ATOM 0 HA MET A 99 -8.571 2.987 -2.030 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.040 2.516 -2.045 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.082 2.764 -0.311 1.00 0.00 H new ATOM 0 HG2 MET A 99 -7.827 0.732 -1.741 1.00 0.00 H new ATOM 0 HG3 MET A 99 -6.241 0.353 -1.100 1.00 0.00 H new ATOM 0 HE1 MET A 99 -9.392 -1.111 0.729 1.00 0.00 H new ATOM 0 HE2 MET A 99 -8.166 -1.345 -0.539 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.748 -1.633 1.166 1.00 0.00 H new ATOM 1195 N ARG A 100 -7.857 4.282 0.936 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.410 4.552 2.261 1.00 0.00 C ATOM 1197 C ARG A 100 -9.697 5.367 2.162 1.00 0.00 C ATOM 1198 O ARG A 100 -10.717 5.005 2.750 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.385 5.295 3.122 1.00 0.00 C ATOM 1200 CG ARG A 100 -7.895 5.657 4.511 1.00 0.00 C ATOM 1201 CD ARG A 100 -8.237 4.419 5.326 1.00 0.00 C ATOM 1202 NE ARG A 100 -8.633 4.757 6.691 1.00 0.00 N ATOM 1203 CZ ARG A 100 -9.228 3.904 7.520 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -9.497 2.667 7.127 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -9.554 4.291 8.746 1.00 0.00 N ATOM 0 H ARG A 100 -6.908 4.629 0.797 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.645 3.596 2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.493 4.677 3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.084 6.207 2.606 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.138 6.240 5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.779 6.289 4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.046 3.875 4.838 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.375 3.752 5.353 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.442 5.701 7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.248 2.366 6.185 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.953 2.017 7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.348 5.242 9.052 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.010 3.638 9.383 1.00 0.00 H new ATOM 1219 N ASP A 101 -9.642 6.466 1.416 1.00 0.00 N ATOM 1220 CA ASP A 101 -10.802 7.332 1.242 1.00 0.00 C ATOM 1221 C ASP A 101 -11.917 6.609 0.494 1.00 0.00 C ATOM 1222 O ASP A 101 -13.083 6.997 0.576 1.00 0.00 O ATOM 1223 CB ASP A 101 -10.407 8.601 0.484 1.00 0.00 C ATOM 1224 CG ASP A 101 -11.562 9.570 0.337 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -11.741 10.422 1.233 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -12.289 9.479 -0.674 1.00 0.00 O ATOM 0 H ASP A 101 -8.806 6.778 0.922 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.170 7.604 2.231 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -9.588 9.093 1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.036 8.330 -0.504 1.00 0.00 H new ATOM 1231 N SER A 102 -11.545 5.559 -0.234 1.00 0.00 N ATOM 1232 CA SER A 102 -12.500 4.766 -1.006 1.00 0.00 C ATOM 1233 C SER A 102 -13.126 5.593 -2.125 1.00 0.00 C ATOM 1234 O SER A 102 -13.330 6.799 -1.985 1.00 0.00 O ATOM 1235 CB SER A 102 -13.595 4.205 -0.094 1.00 0.00 C ATOM 1236 OG SER A 102 -13.041 3.407 0.937 1.00 0.00 O ATOM 0 H SER A 102 -10.580 5.235 -0.306 1.00 0.00 H new ATOM 0 HA SER A 102 -11.955 3.937 -1.457 1.00 0.00 H new ATOM 0 HB2 SER A 102 -14.164 5.025 0.343 1.00 0.00 H new ATOM 0 HB3 SER A 102 -14.294 3.610 -0.683 1.00 0.00 H new ATOM 0 HG SER A 102 -13.760 3.062 1.506 1.00 0.00 H new ATOM 1242 N LYS A 103 -13.427 4.936 -3.241 1.00 0.00 N ATOM 1243 CA LYS A 103 -14.030 5.609 -4.386 1.00 0.00 C ATOM 1244 C LYS A 103 -14.558 4.594 -5.395 1.00 0.00 C ATOM 1245 O LYS A 103 -13.820 4.123 -6.261 1.00 0.00 O ATOM 1246 CB LYS A 103 -13.007 6.528 -5.057 1.00 0.00 C ATOM 1247 CG LYS A 103 -13.623 7.519 -6.030 1.00 0.00 C ATOM 1248 CD LYS A 103 -14.339 8.645 -5.300 1.00 0.00 C ATOM 1249 CE LYS A 103 -14.937 9.648 -6.273 1.00 0.00 C ATOM 1250 NZ LYS A 103 -15.515 10.827 -5.570 1.00 0.00 N ATOM 0 H LYS A 103 -13.263 3.938 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 103 -14.867 6.208 -4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.465 7.077 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.276 5.918 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.844 7.935 -6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -14.327 7.001 -6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.128 8.230 -4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.639 9.153 -4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.167 9.982 -6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.713 9.162 -6.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.913 11.487 -6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.267 10.512 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -14.770 11.306 -5.026 1.00 0.00 H new ATOM 1264 N LEU A 104 -15.840 4.259 -5.274 1.00 0.00 N ATOM 1265 CA LEU A 104 -16.469 3.300 -6.177 1.00 0.00 C ATOM 1266 C LEU A 104 -17.433 4.005 -7.127 1.00 0.00 C ATOM 1267 O LEU A 104 -17.153 4.149 -8.317 1.00 0.00 O ATOM 1268 CB LEU A 104 -17.217 2.220 -5.385 1.00 0.00 C ATOM 1269 CG LEU A 104 -16.346 1.313 -4.503 1.00 0.00 C ATOM 1270 CD1 LEU A 104 -15.165 0.758 -5.288 1.00 0.00 C ATOM 1271 CD2 LEU A 104 -15.865 2.062 -3.268 1.00 0.00 C ATOM 0 H LEU A 104 -16.463 4.637 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 104 -15.682 2.826 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.957 2.708 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -17.764 1.593 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 104 -16.959 0.473 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -14.565 0.119 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -15.531 0.175 -6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.552 1.582 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -15.250 1.400 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.275 2.926 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -16.725 2.396 -2.687 1.00 0.00 H new ATOM 1283 N GLU A 105 -18.569 4.442 -6.591 1.00 0.00 N ATOM 1284 CA GLU A 105 -19.574 5.136 -7.390 1.00 0.00 C ATOM 1285 C GLU A 105 -20.410 6.066 -6.518 1.00 0.00 C ATOM 1286 O GLU A 105 -21.474 5.687 -6.029 1.00 0.00 O ATOM 1287 CB GLU A 105 -20.480 4.128 -8.103 1.00 0.00 C ATOM 1288 CG GLU A 105 -21.522 4.775 -9.001 1.00 0.00 C ATOM 1289 CD GLU A 105 -20.904 5.627 -10.094 1.00 0.00 C ATOM 1290 OE1 GLU A 105 -20.604 5.079 -11.176 1.00 0.00 O ATOM 1291 OE2 GLU A 105 -20.722 6.842 -9.869 1.00 0.00 O ATOM 0 H GLU A 105 -18.816 4.328 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 105 -19.057 5.736 -8.139 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -19.863 3.457 -8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -20.986 3.515 -7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -22.137 3.998 -9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -22.185 5.393 -8.395 1.00 0.00 H new ATOM 1298 N TRP A 106 -19.916 7.286 -6.325 1.00 0.00 N ATOM 1299 CA TRP A 106 -20.615 8.274 -5.510 1.00 0.00 C ATOM 1300 C TRP A 106 -20.643 9.632 -6.202 1.00 0.00 C ATOM 1301 O TRP A 106 -20.948 10.650 -5.580 1.00 0.00 O ATOM 1302 CB TRP A 106 -19.947 8.399 -4.138 1.00 0.00 C ATOM 1303 CG TRP A 106 -19.965 7.122 -3.352 1.00 0.00 C ATOM 1304 CD1 TRP A 106 -21.048 6.328 -3.106 1.00 0.00 C ATOM 1305 CD2 TRP A 106 -18.852 6.495 -2.705 1.00 0.00 C ATOM 1306 NE1 TRP A 106 -20.676 5.243 -2.349 1.00 0.00 N ATOM 1307 CE2 TRP A 106 -19.333 5.324 -2.090 1.00 0.00 C ATOM 1308 CE3 TRP A 106 -17.495 6.809 -2.587 1.00 0.00 C ATOM 1309 CZ2 TRP A 106 -18.506 4.467 -1.369 1.00 0.00 C ATOM 1310 CZ3 TRP A 106 -16.674 5.957 -1.871 1.00 0.00 C ATOM 1311 CH2 TRP A 106 -17.181 4.799 -1.270 1.00 0.00 C ATOM 0 H TRP A 106 -19.035 7.613 -6.722 1.00 0.00 H new ATOM 0 HA TRP A 106 -21.643 7.936 -5.377 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -18.914 8.721 -4.272 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -20.451 9.177 -3.565 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -22.051 6.524 -3.455 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -21.298 4.499 -2.032 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -17.095 7.701 -3.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -18.895 3.573 -0.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -15.624 6.189 -1.774 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -16.514 4.154 -0.717 1.00 0.00 H new ATOM 1322 N LYS A 107 -20.327 9.639 -7.494 1.00 0.00 N ATOM 1323 CA LYS A 107 -20.320 10.873 -8.271 1.00 0.00 C ATOM 1324 C LYS A 107 -21.597 11.000 -9.095 1.00 0.00 C ATOM 1325 O LYS A 107 -21.754 10.339 -10.122 1.00 0.00 O ATOM 1326 CB LYS A 107 -19.097 10.915 -9.192 1.00 0.00 C ATOM 1327 CG LYS A 107 -17.776 10.785 -8.452 1.00 0.00 C ATOM 1328 CD LYS A 107 -16.587 10.801 -9.404 1.00 0.00 C ATOM 1329 CE LYS A 107 -16.328 12.191 -9.966 1.00 0.00 C ATOM 1330 NZ LYS A 107 -17.267 12.536 -11.069 1.00 0.00 N ATOM 0 H LYS A 107 -20.073 8.805 -8.024 1.00 0.00 H new ATOM 0 HA LYS A 107 -20.270 11.712 -7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -19.175 10.111 -9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -19.102 11.853 -9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -17.679 11.601 -7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -17.770 9.857 -7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -15.698 10.450 -8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -16.769 10.106 -10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -16.422 12.927 -9.168 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -15.303 12.248 -10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -16.731 12.919 -11.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -17.779 11.682 -11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -17.947 13.248 -10.736 1.00 0.00 H new ATOM 1344 N ASP A 108 -22.509 11.850 -8.634 1.00 0.00 N ATOM 1345 CA ASP A 108 -23.776 12.064 -9.323 1.00 0.00 C ATOM 1346 C ASP A 108 -23.913 13.517 -9.770 1.00 0.00 C ATOM 1347 O ASP A 108 -23.538 13.818 -10.923 1.00 0.00 O ATOM 1348 CB ASP A 108 -24.943 11.683 -8.411 1.00 0.00 C ATOM 1349 CG ASP A 108 -26.291 11.935 -9.057 1.00 0.00 C ATOM 1350 OD1 ASP A 108 -26.746 11.076 -9.840 1.00 0.00 O ATOM 1351 OD2 ASP A 108 -26.891 12.995 -8.779 1.00 0.00 O ATOM 1352 OXT ASP A 108 -24.393 14.341 -8.963 1.00 0.00 O ATOM 0 H ASP A 108 -22.394 12.403 -7.784 1.00 0.00 H new ATOM 0 HA ASP A 108 -23.794 11.429 -10.209 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -24.863 10.629 -8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -24.876 12.252 -7.484 1.00 0.00 H new TER 1357 ASP A 108